NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15040 | 1xdx | 4929 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 29.065 4.822 -21.015 2 HA MET 1 HA MET 1 31.482 6.051 -19.935 3 1HB MET 1 2HB MET 1 30.446 6.502 -22.349 4 2HB MET 1 1HB MET 1 29.321 7.479 -21.415 5 1HG MET 1 2HG MET 1 30.880 9.032 -20.895 6 2HG MET 1 1HG MET 1 32.197 7.861 -20.856 7 1HE MET 1 1HE MET 1 33.867 8.603 -21.824 8 2HE MET 1 2HE MET 1 33.997 9.672 -23.221 9 3HE MET 1 3HE MET 1 34.045 7.923 -23.442 10 H GLU 2 H GLU 2 29.362 4.661 -18.460 11 HA GLU 2 HA GLU 2 28.209 6.980 -17.053 12 1HB GLU 2 2HB GLU 2 26.462 5.710 -18.216 13 2HB GLU 2 1HB GLU 2 26.979 4.239 -17.401 14 1HG GLU 2 2HG GLU 2 26.501 5.585 -15.233 15 2HG GLU 2 1HG GLU 2 25.537 6.607 -16.298 16 H GLY 3 H GLY 3 28.529 3.490 -16.388 17 1HA GLY 3 2HA GLY 3 29.665 2.398 -14.696 18 2HA GLY 3 1HA GLY 3 30.431 3.923 -14.282 19 H VAL 4 H VAL 4 28.713 5.566 -13.358 20 HA VAL 4 HA VAL 4 27.078 4.116 -11.379 21 HB VAL 4 HB VAL 4 28.510 6.723 -10.864 22 1HG1 VAL 4 1HG1 VAL 4 28.037 5.911 -8.453 23 2HG1 VAL 4 2HG1 VAL 4 26.829 4.875 -9.214 24 3HG1 VAL 4 3HG1 VAL 4 26.723 6.628 -9.387 25 1HG2 VAL 4 1HG2 VAL 4 30.229 5.113 -11.123 26 2HG2 VAL 4 2HG2 VAL 4 29.323 3.897 -10.223 27 3HG2 VAL 4 3HG2 VAL 4 29.983 5.301 -9.387 28 H ASP 5 H ASP 5 25.232 5.291 -10.551 29 HA ASP 5 HA ASP 5 24.262 7.398 -12.335 30 1HB ASP 5 2HB ASP 5 23.076 5.471 -13.022 31 2HB ASP 5 1HB ASP 5 22.958 4.849 -11.387 32 HA PRO 6 HA PRO 6 23.712 8.873 -7.998 33 1HB PRO 6 2HB PRO 6 25.736 10.583 -7.838 34 2HB PRO 6 1HB PRO 6 26.040 8.843 -7.791 35 1HG PRO 6 2HG PRO 6 26.596 10.785 -9.946 36 2HG PRO 6 1HG PRO 6 27.349 9.215 -9.629 37 1HD PRO 6 2HD PRO 6 25.187 9.858 -11.466 38 2HD PRO 6 1HD PRO 6 26.062 8.324 -11.275 39 H ALA 7 H ALA 7 21.844 10.149 -8.157 40 HA ALA 7 HA ALA 7 20.477 11.935 -8.699 41 1HB ALA 7 1HB ALA 7 22.425 12.879 -7.181 42 2HB ALA 7 2HB ALA 7 21.223 13.946 -7.910 43 3HB ALA 7 3HB ALA 7 22.814 13.770 -8.652 44 H VAL 8 H VAL 8 21.717 10.531 -10.849 45 HA VAL 8 HA VAL 8 22.766 12.180 -12.850 46 HB VAL 8 HB VAL 8 21.154 9.968 -13.930 47 1HG1 VAL 8 1HG1 VAL 8 24.093 10.542 -14.003 48 2HG1 VAL 8 2HG1 VAL 8 22.892 11.110 -15.164 49 3HG1 VAL 8 3HG1 VAL 8 23.222 9.384 -15.007 50 1HG2 VAL 8 1HG2 VAL 8 22.664 8.198 -13.086 51 2HG2 VAL 8 2HG2 VAL 8 21.538 8.838 -11.891 52 3HG2 VAL 8 3HG2 VAL 8 23.231 9.333 -11.862 53 H GLU 9 H GLU 9 19.509 11.308 -11.981 54 HA GLU 9 HA GLU 9 18.526 13.210 -13.999 55 1HB GLU 9 2HB GLU 9 16.941 10.789 -13.247 56 2HB GLU 9 1HB GLU 9 16.905 11.730 -14.717 57 1HG GLU 9 2HG GLU 9 19.026 10.785 -15.413 58 2HG GLU 9 1HG GLU 9 19.100 9.851 -13.919 59 H GLU 10 H GLU 10 18.598 14.696 -12.191 60 HA GLU 10 HA GLU 10 16.954 14.325 -9.897 61 1HB GLU 10 2HB GLU 10 18.990 16.010 -10.541 62 2HB GLU 10 1HB GLU 10 17.610 17.087 -10.701 63 1HG GLU 10 2HG GLU 10 18.067 17.416 -8.512 64 2HG GLU 10 1HG GLU 10 16.986 16.033 -8.362 65 H ALA 11 H ALA 11 15.052 15.528 -9.338 66 HA ALA 11 HA ALA 11 13.389 16.188 -11.678 67 1HB ALA 11 1HB ALA 11 11.453 15.627 -10.216 68 2HB ALA 11 2HB ALA 11 12.599 15.092 -8.987 69 3HB ALA 11 3HB ALA 11 12.528 14.267 -10.543 70 H ALA 12 H ALA 12 11.677 17.801 -11.311 71 HA ALA 12 HA ALA 12 11.180 20.007 -10.985 72 1HB ALA 12 1HB ALA 12 11.729 19.681 -8.087 73 2HB ALA 12 2HB ALA 12 10.523 18.638 -8.840 74 3HB ALA 12 3HB ALA 12 10.337 20.390 -8.906 75 H PHE 13 H PHE 13 11.902 21.932 -9.226 76 HA PHE 13 HA PHE 13 14.812 22.170 -9.300 77 1HB PHE 13 2HB PHE 13 13.679 23.182 -11.404 78 2HB PHE 13 1HB PHE 13 13.128 24.449 -10.313 79 HD1 PHE 13 1HD PHE 13 14.717 25.980 -9.282 80 HD2 PHE 13 2HD PHE 13 15.987 22.992 -12.034 81 HE1 PHE 13 1HE PHE 13 16.871 27.139 -9.541 82 HE2 PHE 13 2HE PHE 13 18.144 24.145 -12.297 83 HZ PHE 13 HZ PHE 13 18.589 26.222 -11.049 84 H VAL 14 H VAL 14 14.023 21.730 -6.998 85 HA VAL 14 HA VAL 14 12.633 23.607 -5.478 86 HB VAL 14 HB VAL 14 14.938 22.000 -4.392 87 1HG1 VAL 14 1HG1 VAL 14 13.988 23.555 -2.828 88 2HG1 VAL 14 2HG1 VAL 14 13.494 21.923 -2.377 89 3HG1 VAL 14 3HG1 VAL 14 12.357 22.994 -3.196 90 1HG2 VAL 14 1HG2 VAL 14 12.582 20.537 -3.991 91 2HG2 VAL 14 2HG2 VAL 14 13.939 20.119 -5.035 92 3HG2 VAL 14 3HG2 VAL 14 12.566 21.007 -5.691 93 H ALA 15 H ALA 15 13.391 25.170 -3.937 94 HA ALA 15 HA ALA 15 15.226 27.015 -4.984 95 1HB ALA 15 1HB ALA 15 13.904 26.705 -2.316 96 2HB ALA 15 2HB ALA 15 13.658 27.943 -3.547 97 3HB ALA 15 3HB ALA 15 15.125 27.951 -2.569 98 H ASP 16 H ASP 16 17.265 27.734 -4.025 99 HA ASP 16 HA ASP 16 19.130 25.681 -3.782 100 1HB ASP 16 2HB ASP 16 19.253 28.591 -3.006 101 2HB ASP 16 1HB ASP 16 20.642 27.517 -2.871 102 H ASP 17 H ASP 17 17.662 27.687 -1.250 103 HA ASP 17 HA ASP 17 19.057 26.733 0.940 104 1HB ASP 17 2HB ASP 17 17.473 28.683 0.878 105 2HB ASP 17 1HB ASP 17 16.146 27.529 0.968 106 H VAL 18 H VAL 18 15.891 25.550 -0.239 107 HA VAL 18 HA VAL 18 15.884 23.393 1.662 108 HB VAL 18 HB VAL 18 14.094 23.695 -0.749 109 1HG1 VAL 18 1HG1 VAL 18 14.324 21.582 0.921 110 2HG1 VAL 18 2HG1 VAL 18 12.832 22.033 0.097 111 3HG1 VAL 18 3HG1 VAL 18 13.103 22.534 1.766 112 1HG2 VAL 18 1HG2 VAL 18 12.540 24.650 1.139 113 2HG2 VAL 18 2HG2 VAL 18 13.677 25.698 0.292 114 3HG2 VAL 18 3HG2 VAL 18 14.078 25.074 1.892 115 H SER 19 H SER 19 16.779 23.759 -1.704 116 HA SER 19 HA SER 19 16.777 21.049 -2.423 117 1HB SER 19 2HB SER 19 18.244 21.702 -4.271 118 2HB SER 19 1HB SER 19 16.937 22.868 -4.076 119 HG SER 19 HG SER 19 19.666 23.126 -3.452 120 H ASN 20 H ASN 20 19.296 23.068 -0.954 121 HA ASN 20 HA ASN 20 21.283 21.035 -1.081 122 1HB ASN 20 2HB ASN 20 22.657 22.468 0.242 123 2HB ASN 20 1HB ASN 20 21.742 23.501 -0.849 124 1HD2 ASN 20 1HD2 ASN 20 20.549 25.090 -0.020 125 2HD2 ASN 20 2HD2 ASN 20 20.273 25.348 1.666 126 H ILE 21 H ILE 21 19.204 22.176 1.588 127 HA ILE 21 HA ILE 21 20.133 20.486 3.597 128 HB ILE 21 HB ILE 21 17.294 21.463 3.145 129 1HG1 ILE 21 2HG1 ILE 21 19.517 22.622 4.832 130 2HG1 ILE 21 1HG1 ILE 21 18.965 23.266 3.291 131 1HG2 ILE 21 1HG2 ILE 21 17.087 19.754 4.733 132 2HG2 ILE 21 2HG2 ILE 21 17.192 21.232 5.690 133 3HG2 ILE 21 3HG2 ILE 21 18.601 20.183 5.528 134 1HD1 ILE 21 1HD1 ILE 21 16.844 23.835 4.216 135 2HD1 ILE 21 2HD1 ILE 21 18.099 24.464 5.284 136 3HD1 ILE 21 3HD1 ILE 21 17.221 22.998 5.722 137 H ILE 22 H ILE 22 17.367 19.935 1.406 138 HA ILE 22 HA ILE 22 16.750 17.389 2.349 139 HB ILE 22 HB ILE 22 15.326 18.856 0.873 140 1HG1 ILE 22 2HG1 ILE 22 14.856 16.492 -0.562 141 2HG1 ILE 22 1HG1 ILE 22 15.549 15.977 0.969 142 1HG2 ILE 22 1HG2 ILE 22 17.008 19.286 -0.872 143 2HG2 ILE 22 2HG2 ILE 22 15.494 18.658 -1.523 144 3HG2 ILE 22 3HG2 ILE 22 16.894 17.597 -1.370 145 1HD1 ILE 22 1HD1 ILE 22 13.625 16.329 1.990 146 2HD1 ILE 22 2HD1 ILE 22 12.909 16.729 0.430 147 3HD1 ILE 22 3HD1 ILE 22 13.593 18.003 1.437 148 H LYS 23 H LYS 23 18.782 18.293 -0.445 149 HA LYS 23 HA LYS 23 19.418 15.632 -1.138 150 1HB LYS 23 2HB LYS 23 20.572 18.299 -1.825 151 2HB LYS 23 1HB LYS 23 21.403 16.830 -2.313 152 1HG LYS 23 2HG LYS 23 19.510 16.102 -3.569 153 2HG LYS 23 1HG LYS 23 18.527 17.422 -2.936 154 1HD LYS 23 2HD LYS 23 19.387 18.929 -4.374 155 2HD LYS 23 1HD LYS 23 21.019 18.269 -4.246 156 1HE LYS 23 2HE LYS 23 20.715 16.816 -5.964 157 2HE LYS 23 1HE LYS 23 18.994 16.627 -5.638 158 1HZ LYS 23 1HZ LYS 23 19.960 19.215 -6.620 159 2HZ LYS 23 2HZ LYS 23 18.465 18.463 -6.862 160 3HZ LYS 23 3HZ LYS 23 19.825 17.938 -7.721 161 H GLU 24 H GLU 24 21.273 18.050 0.727 162 HA GLU 24 HA GLU 24 23.507 16.451 1.242 163 1HB GLU 24 2HB GLU 24 22.290 18.837 2.481 164 2HB GLU 24 1HB GLU 24 23.240 17.874 3.586 165 1HG GLU 24 2HG GLU 24 24.966 19.061 2.839 166 2HG GLU 24 1HG GLU 24 24.889 18.011 1.424 167 H SER 25 H SER 25 20.334 16.546 2.715 168 HA SER 25 HA SER 25 20.912 14.867 4.916 169 1HB SER 25 2HB SER 25 18.844 16.385 4.503 170 2HB SER 25 1HB SER 25 18.204 15.008 3.606 171 HG SER 25 HG SER 25 18.623 13.765 5.565 172 H ILE 26 H ILE 26 19.524 14.168 1.664 173 HA ILE 26 HA ILE 26 19.222 11.395 2.074 174 HB ILE 26 HB ILE 26 19.362 13.134 -0.340 175 1HG1 ILE 26 2HG1 ILE 26 17.340 11.511 -0.798 176 2HG1 ILE 26 1HG1 ILE 26 17.502 11.180 0.921 177 1HG2 ILE 26 1HG2 ILE 26 19.063 10.871 -1.681 178 2HG2 ILE 26 2HG2 ILE 26 20.107 10.249 -0.404 179 3HG2 ILE 26 3HG2 ILE 26 20.659 11.579 -1.421 180 1HD1 ILE 26 1HD1 ILE 26 17.433 13.723 1.191 181 2HD1 ILE 26 2HD1 ILE 26 15.936 12.869 0.840 182 3HD1 ILE 26 3HD1 ILE 26 16.784 13.729 -0.443 183 H ASP 27 H ASP 27 21.916 13.292 0.871 184 HA ASP 27 HA ASP 27 23.682 11.293 0.173 185 1HB ASP 27 2HB ASP 27 24.250 13.552 -0.299 186 2HB ASP 27 1HB ASP 27 24.050 14.037 1.367 187 H ALA 28 H ALA 28 22.886 12.575 3.353 188 HA ALA 28 HA ALA 28 24.803 10.831 4.684 189 1HB ALA 28 1HB ALA 28 24.283 12.032 6.667 190 2HB ALA 28 2HB ALA 28 22.811 12.695 5.956 191 3HB ALA 28 3HB ALA 28 24.388 13.213 5.361 192 H VAL 29 H VAL 29 21.293 11.205 4.462 193 HA VAL 29 HA VAL 29 20.666 9.161 6.316 194 HB VAL 29 HB VAL 29 19.262 11.069 4.607 195 1HG1 VAL 29 1HG1 VAL 29 18.126 8.382 4.682 196 2HG1 VAL 29 2HG1 VAL 29 17.766 9.755 3.639 197 3HG1 VAL 29 3HG1 VAL 29 17.069 9.662 5.239 198 1HG2 VAL 29 1HG2 VAL 29 18.617 11.784 6.566 199 2HG2 VAL 29 2HG2 VAL 29 19.502 10.456 7.313 200 3HG2 VAL 29 3HG2 VAL 29 17.806 10.262 6.903 201 H LEU 30 H LEU 30 21.873 9.026 3.160 202 HA LEU 30 HA LEU 30 20.873 6.280 2.867 203 1HB LEU 30 2HB LEU 30 21.508 8.343 0.774 204 2HB LEU 30 1HB LEU 30 21.367 6.639 0.398 205 HG LEU 30 HG LEU 30 19.293 7.963 -0.072 206 1HD1 LEU 30 1HD1 LEU 30 19.384 5.493 0.519 207 2HD1 LEU 30 2HD1 LEU 30 17.829 6.313 0.675 208 3HD1 LEU 30 3HD1 LEU 30 18.803 5.988 2.106 209 1HD2 LEU 30 1HD2 LEU 30 18.042 8.968 1.547 210 2HD2 LEU 30 2HD2 LEU 30 19.650 9.268 2.194 211 3HD2 LEU 30 3HD2 LEU 30 18.681 7.944 2.827 212 H GLN 31 H GLN 31 23.715 8.400 2.741 213 HA GLN 31 HA GLN 31 25.403 6.122 2.033 214 1HB GLN 31 2HB GLN 31 25.689 8.503 1.109 215 2HB GLN 31 1HB GLN 31 26.402 8.869 2.667 216 1HG GLN 31 2HG GLN 31 28.129 7.298 2.355 217 2HG GLN 31 1HG GLN 31 27.362 6.683 0.900 218 1HE2 GLN 31 1HE2 GLN 31 29.013 9.428 2.304 219 2HE2 GLN 31 2HE2 GLN 31 29.536 10.122 0.812 220 H ASN 32 H ASN 32 24.288 7.633 4.893 221 HA ASN 32 HA ASN 32 26.411 7.550 6.633 222 1HB ASN 32 2HB ASN 32 24.697 6.941 8.410 223 2HB ASN 32 1HB ASN 32 24.361 8.387 7.467 224 1HD2 ASN 32 1HD2 ASN 32 22.706 6.304 8.945 225 2HD2 ASN 32 2HD2 ASN 32 21.470 5.882 7.817 226 H GLN 33 H GLN 33 24.345 4.822 5.688 227 HA GLN 33 HA GLN 33 26.407 3.020 6.772 228 1HB GLN 33 2HB GLN 33 23.976 3.283 7.926 229 2HB GLN 33 1HB GLN 33 23.620 2.027 6.748 230 1HG GLN 33 2HG GLN 33 24.736 0.475 7.894 231 2HG GLN 33 1HG GLN 33 26.087 1.556 8.225 232 1HE2 GLN 33 1HE2 GLN 33 26.390 2.035 10.270 233 2HE2 GLN 33 2HE2 GLN 33 25.190 2.020 11.513 234 H GLN 34 H GLN 34 25.509 0.623 5.945 235 HA GLN 34 HA GLN 34 25.980 0.753 3.104 236 1HB GLN 34 2HB GLN 34 26.736 -1.028 4.961 237 2HB GLN 34 1HB GLN 34 25.266 -1.820 4.409 238 1HG GLN 34 2HG GLN 34 27.277 -2.611 3.244 239 2HG GLN 34 1HG GLN 34 26.094 -1.893 2.153 240 1HE2 GLN 34 1HE2 GLN 34 29.256 -1.677 3.486 241 2HE2 GLN 34 2HE2 GLN 34 29.804 -0.343 2.535 242 H TYR 35 H TYR 35 24.640 -0.633 1.618 243 HA TYR 35 HA TYR 35 21.987 0.295 1.579 244 1HB TYR 35 2HB TYR 35 23.246 -0.320 -0.440 245 2HB TYR 35 1HB TYR 35 23.236 -2.003 0.067 246 HD1 TYR 35 1HD TYR 35 21.442 0.600 -1.645 247 HD2 TYR 35 2HD TYR 35 21.021 -3.218 0.187 248 HE1 TYR 35 1HE TYR 35 19.331 0.254 -2.864 249 HE2 TYR 35 2HE TYR 35 18.910 -3.572 -1.026 250 HH TYR 35 HH TYR 35 17.997 -2.278 -3.547 251 H SER 36 H SER 36 20.455 -0.307 3.059 252 HA SER 36 HA SER 36 20.244 -3.215 3.595 253 1HB SER 36 2HB SER 36 20.252 -0.903 5.467 254 2HB SER 36 1HB SER 36 19.114 -2.205 5.812 255 HG SER 36 HG SER 36 20.725 -3.516 6.264 256 H GLU 37 H GLU 37 18.319 -4.096 3.061 257 HA GLU 37 HA GLU 37 16.306 -2.589 1.812 258 1HB GLU 37 2HB GLU 37 16.621 -5.017 1.449 259 2HB GLU 37 1HB GLU 37 16.016 -5.320 3.074 260 1HG GLU 37 2HG GLU 37 13.948 -5.343 2.301 261 2HG GLU 37 1HG GLU 37 14.125 -3.678 1.771 262 H ALA 38 H ALA 38 16.614 -3.772 5.127 263 HA ALA 38 HA ALA 38 14.062 -3.012 6.042 264 1HB ALA 38 1HB ALA 38 16.693 -3.551 7.316 265 2HB ALA 38 2HB ALA 38 15.131 -4.326 7.578 266 3HB ALA 38 3HB ALA 38 15.455 -2.737 8.272 267 H LYS 39 H LYS 39 16.949 -1.235 5.345 268 HA LYS 39 HA LYS 39 15.974 1.205 6.599 269 1HB LYS 39 2HB LYS 39 18.553 0.094 5.809 270 2HB LYS 39 1HB LYS 39 18.367 1.770 5.337 271 1HG LYS 39 2HG LYS 39 19.427 1.575 7.497 272 2HG LYS 39 1HG LYS 39 17.863 2.377 7.636 273 1HD LYS 39 2HD LYS 39 17.708 0.907 9.373 274 2HD LYS 39 1HD LYS 39 17.040 -0.085 8.078 275 1HE LYS 39 2HE LYS 39 18.923 -1.402 7.931 276 2HE LYS 39 1HE LYS 39 19.975 -0.150 8.594 277 1HZ LYS 39 1HZ LYS 39 18.544 -0.553 10.715 278 2HZ LYS 39 2HZ LYS 39 19.829 -1.589 10.347 279 3HZ LYS 39 3HZ LYS 39 18.241 -2.056 9.999 280 H VAL 40 H VAL 40 15.986 -0.326 3.539 281 HA VAL 40 HA VAL 40 16.320 1.716 1.739 282 HB VAL 40 HB VAL 40 14.981 -0.902 1.725 283 1HG1 VAL 40 1HG1 VAL 40 13.127 0.435 0.800 284 2HG1 VAL 40 2HG1 VAL 40 13.812 -0.702 -0.361 285 3HG1 VAL 40 3HG1 VAL 40 14.214 1.013 -0.463 286 1HG2 VAL 40 1HG2 VAL 40 16.732 0.554 -0.231 287 2HG2 VAL 40 2HG2 VAL 40 16.230 -1.131 -0.376 288 3HG2 VAL 40 3HG2 VAL 40 17.241 -0.625 0.978 289 H SER 41 H SER 41 13.659 1.220 3.917 290 HA SER 41 HA SER 41 12.182 3.430 2.638 291 1HB SER 41 2HB SER 41 10.183 2.601 3.712 292 2HB SER 41 1HB SER 41 10.962 1.247 2.896 293 HG SER 41 HG SER 41 10.293 0.732 5.037 294 H GLN 42 H GLN 42 13.529 2.226 5.632 295 HA GLN 42 HA GLN 42 12.610 4.331 7.289 296 1HB GLN 42 2HB GLN 42 15.053 2.582 7.638 297 2HB GLN 42 1HB GLN 42 14.310 3.563 8.887 298 1HG GLN 42 2HG GLN 42 12.865 1.343 7.474 299 2HG GLN 42 1HG GLN 42 13.791 1.107 8.956 300 1HE2 GLN 42 1HE2 GLN 42 11.142 2.984 7.567 301 2HE2 GLN 42 2HE2 GLN 42 10.248 3.147 9.038 302 H TRP 43 H TRP 43 15.309 3.895 5.157 303 HA TRP 43 HA TRP 43 17.102 5.847 5.839 304 1HB TRP 43 2HB TRP 43 16.082 4.744 3.238 305 2HB TRP 43 1HB TRP 43 17.132 6.147 3.188 306 HD1 TRP 43 HD TRP 43 18.763 4.574 5.846 307 HE1 TRP 43 1HE TRP 43 20.590 2.980 5.104 308 HE3 TRP 43 3HE TRP 43 17.304 3.868 1.004 309 HZ2 TRP 43 2HZ TRP 43 21.342 1.582 2.807 310 HZ3 TRP 43 3HZ TRP 43 18.645 2.359 -0.406 311 HH2 TRP 43 HH TRP 43 20.624 1.237 0.477 312 H THR 44 H THR 44 14.566 6.272 3.423 313 HA THR 44 HA THR 44 14.702 9.044 3.288 314 HB THR 44 HB THR 44 13.545 7.192 1.805 315 HG1 THR 44 1HG THR 44 13.720 9.057 0.842 316 1HG2 THR 44 1HG2 THR 44 11.684 6.552 3.061 317 2HG2 THR 44 2HG2 THR 44 11.078 7.588 1.770 318 3HG2 THR 44 3HG2 THR 44 11.239 8.221 3.406 319 H SER 45 H SER 45 13.167 7.063 5.655 320 HA SER 45 HA SER 45 11.324 9.055 6.574 321 1HB SER 45 2HB SER 45 10.690 7.538 8.216 322 2HB SER 45 1HB SER 45 11.286 6.461 6.959 323 HG SER 45 HG SER 45 12.131 6.695 9.465 324 H SER 46 H SER 46 14.565 8.015 7.359 325 HA SER 46 HA SER 46 14.892 9.743 9.603 326 1HB SER 46 2HB SER 46 16.424 7.720 8.268 327 2HB SER 46 1HB SER 46 17.423 9.157 8.441 328 HG SER 46 HG SER 46 16.554 7.405 10.336 329 H CYS 47 H CYS 47 15.330 10.007 6.150 330 HA CYS 47 HA CYS 47 16.808 12.426 6.172 331 1HB CYS 47 2HB CYS 47 15.896 10.693 4.188 332 2HB CYS 47 1HB CYS 47 15.001 12.162 3.913 333 HG CYS 47 HG CYS 47 17.435 12.008 2.707 334 H LEU 48 H LEU 48 13.416 11.602 6.175 335 HA LEU 48 HA LEU 48 12.419 14.203 5.825 336 1HB LEU 48 2HB LEU 48 11.357 11.569 6.550 337 2HB LEU 48 1HB LEU 48 10.498 12.895 7.301 338 HG LEU 48 HG LEU 48 9.656 13.667 5.316 339 1HD1 LEU 48 1HD1 LEU 48 10.625 13.067 3.075 340 2HD1 LEU 48 2HD1 LEU 48 12.002 12.393 3.944 341 3HD1 LEU 48 3HD1 LEU 48 11.626 14.104 4.080 342 1HD2 LEU 48 1HD2 LEU 48 8.920 11.728 3.962 343 2HD2 LEU 48 2HD2 LEU 48 8.716 11.476 5.696 344 3HD2 LEU 48 3HD2 LEU 48 10.065 10.722 4.847 345 H GLU 49 H GLU 49 13.455 12.398 8.639 346 HA GLU 49 HA GLU 49 12.584 14.495 10.411 347 1HB GLU 49 2HB GLU 49 12.858 12.029 11.066 348 2HB GLU 49 1HB GLU 49 14.581 12.392 11.175 349 1HG GLU 49 2HG GLU 49 13.839 14.370 12.627 350 2HG GLU 49 1HG GLU 49 12.325 13.502 12.788 351 H HIS 50 H HIS 50 15.479 13.567 8.701 352 HA HIS 50 HA HIS 50 17.098 15.578 10.013 353 1HB HIS 50 2HB HIS 50 17.641 13.663 7.742 354 2HB HIS 50 1HB HIS 50 18.814 14.857 8.291 355 HD1 HIS 50 1HD HIS 50 20.538 13.459 9.426 356 HD2 HIS 50 2HD HIS 50 16.679 12.459 10.598 357 HE1 HIS 50 1HE HIS 50 20.812 11.793 11.290 358 HE2 HIS 50 2HE HIS 50 18.465 11.269 12.043 359 H CYS 51 H CYS 51 14.681 15.815 7.834 360 HA CYS 51 HA CYS 51 15.949 17.942 6.249 361 1HB CYS 51 2HB CYS 51 14.661 16.051 5.042 362 2HB CYS 51 1HB CYS 51 13.208 16.710 5.785 363 HG CYS 51 HG CYS 51 14.495 18.928 4.314 364 H ILE 52 H ILE 52 13.190 17.014 8.183 365 HA ILE 52 HA ILE 52 11.996 19.558 8.390 366 HB ILE 52 HB ILE 52 10.874 17.361 8.731 367 1HG1 ILE 52 2HG1 ILE 52 9.806 19.396 9.512 368 2HG1 ILE 52 1HG1 ILE 52 9.415 18.011 10.521 369 1HG2 ILE 52 1HG2 ILE 52 12.751 16.451 10.157 370 2HG2 ILE 52 2HG2 ILE 52 11.102 16.054 10.627 371 3HG2 ILE 52 3HG2 ILE 52 11.982 17.313 11.487 372 1HD1 ILE 52 1HD1 ILE 52 10.866 20.464 11.155 373 2HD1 ILE 52 2HD1 ILE 52 11.512 18.976 11.846 374 3HD1 ILE 52 3HD1 ILE 52 9.842 19.443 12.163 375 H LYS 53 H LYS 53 14.172 17.706 10.554 376 HA LYS 53 HA LYS 53 14.254 19.563 12.644 377 1HB LYS 53 2HB LYS 53 15.962 17.301 11.772 378 2HB LYS 53 1HB LYS 53 16.707 18.466 12.847 379 1HG LYS 53 2HG LYS 53 15.718 16.509 13.999 380 2HG LYS 53 1HG LYS 53 15.082 18.055 14.543 381 1HD LYS 53 2HD LYS 53 13.584 16.837 12.353 382 2HD LYS 53 1HD LYS 53 13.577 15.902 13.843 383 1HE LYS 53 2HE LYS 53 13.049 18.827 14.008 384 2HE LYS 53 1HE LYS 53 11.771 17.781 13.396 385 1HZ LYS 53 1HZ LYS 53 13.114 16.992 15.870 386 2HZ LYS 53 2HZ LYS 53 11.504 16.777 15.400 387 3HZ LYS 53 3HZ LYS 53 12.031 18.290 15.944 388 H ARG 54 H ARG 54 16.035 19.431 9.626 389 HA ARG 54 HA ARG 54 17.923 21.449 10.384 390 1HB ARG 54 2HB ARG 54 18.316 19.712 8.603 391 2HB ARG 54 1HB ARG 54 17.189 20.596 7.583 392 1HG ARG 54 2HG ARG 54 19.038 21.624 6.843 393 2HG ARG 54 1HG ARG 54 18.870 22.585 8.311 394 1HD ARG 54 2HD ARG 54 20.916 21.915 8.856 395 2HD ARG 54 1HD ARG 54 20.234 20.316 9.132 396 HE ARG 54 HE ARG 54 21.245 19.585 7.213 397 1HH1 ARG 54 1HH1 ARG 54 21.291 23.083 7.234 398 2HH1 ARG 54 2HH1 ARG 54 22.323 23.197 5.848 399 1HH2 ARG 54 1HH2 ARG 54 22.601 19.743 5.396 400 2HH2 ARG 54 2HH2 ARG 54 23.066 21.305 4.807 401 H LEU 55 H LEU 55 14.956 21.371 8.471 402 HA LEU 55 HA LEU 55 14.989 24.037 7.621 403 1HB LEU 55 2HB LEU 55 12.754 22.084 8.101 404 2HB LEU 55 1HB LEU 55 12.461 23.703 7.485 405 HG LEU 55 HG LEU 55 14.205 21.625 6.164 406 1HD1 LEU 55 1HD1 LEU 55 11.449 22.633 5.505 407 2HD1 LEU 55 2HD1 LEU 55 11.907 20.992 5.963 408 3HD1 LEU 55 3HD1 LEU 55 12.445 21.661 4.422 409 1HD2 LEU 55 1HD2 LEU 55 13.525 24.466 5.511 410 2HD2 LEU 55 2HD2 LEU 55 14.023 23.318 4.267 411 3HD2 LEU 55 3HD2 LEU 55 15.109 23.696 5.605 412 H THR 56 H THR 56 14.096 22.614 10.668 413 HA THR 56 HA THR 56 12.741 24.927 11.678 414 HB THR 56 HB THR 56 12.568 23.759 13.720 415 HG1 THR 56 1HG THR 56 13.990 22.247 14.393 416 1HG2 THR 56 1HG2 THR 56 12.043 22.339 11.343 417 2HG2 THR 56 2HG2 THR 56 11.287 22.145 12.923 418 3HG2 THR 56 3HG2 THR 56 12.712 21.195 12.504 419 H ALA 57 H ALA 57 16.009 23.679 11.681 420 HA ALA 57 HA ALA 57 17.081 25.487 13.595 421 1HB ALA 57 1HB ALA 57 18.361 23.557 13.221 422 2HB ALA 57 2HB ALA 57 19.279 24.842 12.439 423 3HB ALA 57 3HB ALA 57 18.296 23.746 11.469 424 H LEU 58 H LEU 58 16.624 25.532 10.117 425 HA LEU 58 HA LEU 58 18.020 28.038 9.780 426 1HB LEU 58 2HB LEU 58 16.868 25.957 8.068 427 2HB LEU 58 1HB LEU 58 16.653 27.576 7.444 428 HG LEU 58 HG LEU 58 18.649 26.677 6.490 429 1HD1 LEU 58 1HD1 LEU 58 19.740 28.428 8.649 430 2HD1 LEU 58 2HD1 LEU 58 18.582 29.074 7.487 431 3HD1 LEU 58 3HD1 LEU 58 20.114 28.404 6.927 432 1HD2 LEU 58 1HD2 LEU 58 19.276 25.904 9.314 433 2HD2 LEU 58 2HD2 LEU 58 20.564 26.108 8.126 434 3HD2 LEU 58 3HD2 LEU 58 19.294 24.914 7.856 435 H ASN 59 H ASN 59 14.770 26.934 10.308 436 HA ASN 59 HA ASN 59 12.732 27.949 10.313 437 1HB ASN 59 2HB ASN 59 12.672 30.047 11.624 438 2HB ASN 59 1HB ASN 59 13.664 28.803 12.378 439 1HD2 ASN 59 1HD2 ASN 59 13.588 31.924 10.955 440 2HD2 ASN 59 2HD2 ASN 59 15.239 32.339 11.247 441 H LYS 60 H LYS 60 13.216 27.988 7.820 442 HA LYS 60 HA LYS 60 11.951 30.255 6.777 443 1HB LYS 60 2HB LYS 60 14.083 31.385 7.216 444 2HB LYS 60 1HB LYS 60 14.933 30.173 6.270 445 1HG LYS 60 2HG LYS 60 14.112 30.974 4.261 446 2HG LYS 60 1HG LYS 60 12.745 31.786 5.028 447 1HD LYS 60 2HD LYS 60 14.138 33.504 5.891 448 2HD LYS 60 1HD LYS 60 15.605 32.616 5.473 449 1HE LYS 60 2HE LYS 60 13.749 33.232 3.255 450 2HE LYS 60 1HE LYS 60 14.602 34.600 3.970 451 1HZ LYS 60 1HZ LYS 60 16.135 32.203 3.259 452 2HZ LYS 60 2HZ LYS 60 16.620 33.823 3.277 453 3HZ LYS 60 3HZ LYS 60 15.648 33.246 2.019 454 HA PRO 61 HA PRO 61 10.432 30.384 5.340 455 1HB PRO 61 2HB PRO 61 8.560 28.212 4.714 456 2HB PRO 61 1HB PRO 61 8.688 29.820 4.001 457 1HG PRO 61 2HG PRO 61 9.399 27.614 2.643 458 2HG PRO 61 1HG PRO 61 10.262 29.152 2.449 459 1HD PRO 61 2HD PRO 61 11.029 26.734 4.049 460 2HD PRO 61 1HD PRO 61 12.040 27.769 3.017 461 H PHE 62 H PHE 62 7.998 29.516 6.397 462 HA PHE 62 HA PHE 62 8.874 28.582 9.030 463 1HB PHE 62 2HB PHE 62 6.209 29.784 8.260 464 2HB PHE 62 1HB PHE 62 6.823 29.526 9.890 465 HD1 PHE 62 1HD PHE 62 7.420 31.432 6.769 466 HD2 PHE 62 2HD PHE 62 8.096 31.161 10.962 467 HE1 PHE 62 1HE PHE 62 8.395 33.691 6.753 468 HE2 PHE 62 2HE PHE 62 9.070 33.421 10.954 469 HZ PHE 62 HZ PHE 62 9.220 34.689 8.849 470 H LYS 63 H LYS 63 5.881 28.178 7.126 471 HA LYS 63 HA LYS 63 5.502 25.539 8.269 472 1HB LYS 63 2HB LYS 63 3.824 27.094 6.291 473 2HB LYS 63 1HB LYS 63 3.361 25.569 7.034 474 1HG LYS 63 2HG LYS 63 4.081 27.833 8.816 475 2HG LYS 63 1HG LYS 63 2.528 27.882 7.978 476 1HD LYS 63 2HD LYS 63 2.274 25.451 8.867 477 2HD LYS 63 1HD LYS 63 3.524 25.931 10.017 478 1HE LYS 63 2HE LYS 63 2.116 27.230 11.186 479 2HE LYS 63 1HE LYS 63 1.345 27.868 9.735 480 1HZ LYS 63 1HZ LYS 63 -0.369 26.660 10.539 481 2HZ LYS 63 2HZ LYS 63 0.619 25.562 11.363 482 3HZ LYS 63 3HZ LYS 63 0.395 25.411 9.693 483 H TYR 64 H TYR 64 6.441 23.812 7.385 484 HA TYR 64 HA TYR 64 6.454 23.578 4.474 485 1HB TYR 64 2HB TYR 64 8.863 22.618 4.737 486 2HB TYR 64 1HB TYR 64 8.631 24.362 4.662 487 HD1 TYR 64 1HD TYR 64 9.326 21.526 6.926 488 HD2 TYR 64 2HD TYR 64 9.181 25.758 6.514 489 HE1 TYR 64 1HE TYR 64 10.495 21.769 9.076 490 HE2 TYR 64 2HE TYR 64 10.351 26.013 8.661 491 HH TYR 64 HH TYR 64 10.753 24.767 10.699 492 H VAL 65 H VAL 65 6.333 21.512 3.684 493 HA VAL 65 HA VAL 65 5.976 19.395 5.703 494 HB VAL 65 HB VAL 65 4.989 18.717 3.036 495 1HG1 VAL 65 1HG1 VAL 65 3.860 18.607 5.807 496 2HG1 VAL 65 2HG1 VAL 65 4.522 17.285 4.845 497 3HG1 VAL 65 3HG1 VAL 65 2.997 18.037 4.379 498 1HG2 VAL 65 1HG2 VAL 65 4.439 21.198 3.222 499 2HG2 VAL 65 2HG2 VAL 65 3.300 20.708 4.473 500 3HG2 VAL 65 3HG2 VAL 65 3.136 20.079 2.834 501 H VAL 66 H VAL 66 6.837 17.307 5.236 502 HA VAL 66 HA VAL 66 8.807 17.262 3.057 503 HB VAL 66 HB VAL 66 9.537 15.925 5.623 504 1HG1 VAL 66 1HG1 VAL 66 11.382 17.404 3.808 505 2HG1 VAL 66 2HG1 VAL 66 10.723 15.849 3.298 506 3HG1 VAL 66 3HG1 VAL 66 11.671 15.962 4.780 507 1HG2 VAL 66 1HG2 VAL 66 10.772 17.986 6.314 508 2HG2 VAL 66 2HG2 VAL 66 9.018 18.116 6.443 509 3HG2 VAL 66 3HG2 VAL 66 9.861 18.877 5.095 510 H THR 67 H THR 67 7.890 15.763 1.731 511 HA THR 67 HA THR 67 7.424 13.117 2.947 512 HB THR 67 HB THR 67 5.237 13.928 2.436 513 HG1 THR 67 1HG THR 67 5.768 11.750 1.785 514 1HG2 THR 67 1HG2 THR 67 6.424 15.369 0.412 515 2HG2 THR 67 2HG2 THR 67 4.695 15.227 0.729 516 3HG2 THR 67 3HG2 THR 67 5.471 14.148 -0.431 517 H CYS 68 H CYS 68 7.719 11.296 1.582 518 HA CYS 68 HA CYS 68 9.094 11.687 -0.931 519 1HB CYS 68 2HB CYS 68 10.985 10.144 -0.058 520 2HB CYS 68 1HB CYS 68 11.047 11.855 0.322 521 HG CYS 68 HG CYS 68 11.549 10.659 2.503 522 H ILE 69 H ILE 69 9.399 9.758 -2.109 523 HA ILE 69 HA ILE 69 7.880 7.435 -1.141 524 HB ILE 69 HB ILE 69 7.731 8.720 -3.867 525 1HG1 ILE 69 2HG1 ILE 69 5.168 8.383 -2.975 526 2HG1 ILE 69 1HG1 ILE 69 6.032 8.716 -1.476 527 1HG2 ILE 69 1HG2 ILE 69 7.530 6.582 -4.581 528 2HG2 ILE 69 2HG2 ILE 69 5.870 6.808 -4.031 529 3HG2 ILE 69 3HG2 ILE 69 7.037 5.986 -2.995 530 1HD1 ILE 69 1HD1 ILE 69 5.981 10.447 -3.935 531 2HD1 ILE 69 2HD1 ILE 69 6.924 10.774 -2.481 532 3HD1 ILE 69 3HD1 ILE 69 5.162 10.757 -2.405 533 H ILE 70 H ILE 70 8.912 5.525 -1.404 534 HA ILE 70 HA ILE 70 11.551 5.581 -2.631 535 HB ILE 70 HB ILE 70 11.882 3.378 -1.617 536 1HG1 ILE 70 2HG1 ILE 70 9.801 3.026 0.162 537 2HG1 ILE 70 1HG1 ILE 70 8.972 3.537 -1.304 538 1HG2 ILE 70 1HG2 ILE 70 10.717 4.933 0.618 539 2HG2 ILE 70 2HG2 ILE 70 11.939 5.730 -0.373 540 3HG2 ILE 70 3HG2 ILE 70 12.319 4.215 0.447 541 1HD1 ILE 70 1HD1 ILE 70 10.854 1.633 -2.113 542 2HD1 ILE 70 2HD1 ILE 70 9.101 1.455 -2.025 543 3HD1 ILE 70 3HD1 ILE 70 10.104 0.996 -0.649 544 H MET 71 H MET 71 12.061 4.691 -4.518 545 HA MET 71 HA MET 71 9.995 3.142 -5.919 546 1HB MET 71 2HB MET 71 11.782 5.262 -6.731 547 2HB MET 71 1HB MET 71 12.020 3.845 -7.745 548 1HG MET 71 2HG MET 71 10.340 4.702 -8.938 549 2HG MET 71 1HG MET 71 9.320 3.983 -7.694 550 1HE MET 71 1HE MET 71 9.091 8.143 -8.995 551 2HE MET 71 2HE MET 71 8.587 6.596 -9.675 552 3HE MET 71 3HE MET 71 10.299 7.007 -9.594 553 H GLN 72 H GLN 72 10.443 1.114 -5.102 554 HA GLN 72 HA GLN 72 13.031 -0.003 -4.912 555 1HB GLN 72 2HB GLN 72 11.105 -0.850 -3.641 556 2HB GLN 72 1HB GLN 72 10.358 -1.398 -5.135 557 1HG GLN 72 2HG GLN 72 11.893 -3.113 -5.423 558 2HG GLN 72 1HG GLN 72 13.070 -2.373 -4.339 559 1HE2 GLN 72 1HE2 GLN 72 10.723 -4.712 -4.642 560 2HE2 GLN 72 2HE2 GLN 72 10.475 -5.065 -2.968 561 H LYS 73 H LYS 73 14.342 -0.576 -6.495 562 HA LYS 73 HA LYS 73 15.147 -1.280 -8.496 563 1HB LYS 73 2HB LYS 73 12.500 -2.688 -8.852 564 2HB LYS 73 1HB LYS 73 14.043 -3.112 -9.578 565 1HG LYS 73 2HG LYS 73 13.931 -3.075 -6.625 566 2HG LYS 73 1HG LYS 73 13.043 -4.359 -7.446 567 1HD LYS 73 2HD LYS 73 15.016 -5.437 -7.420 568 2HD LYS 73 1HD LYS 73 15.406 -4.399 -8.793 569 1HE LYS 73 2HE LYS 73 16.867 -3.157 -7.606 570 2HE LYS 73 1HE LYS 73 15.884 -3.214 -6.143 571 1HZ LYS 73 1HZ LYS 73 17.226 -5.670 -7.007 572 2HZ LYS 73 2HZ LYS 73 16.866 -5.131 -5.445 573 3HZ LYS 73 3HZ LYS 73 18.167 -4.458 -6.293 574 H ASN 74 H ASN 74 14.050 -1.693 -10.972 575 HA ASN 74 HA ASN 74 12.940 0.960 -11.597 576 1HB ASN 74 2HB ASN 74 13.892 0.597 -13.872 577 2HB ASN 74 1HB ASN 74 15.112 0.626 -12.603 578 1HD2 ASN 74 1HD2 ASN 74 16.636 -0.802 -12.940 579 2HD2 ASN 74 2HD2 ASN 74 16.431 -2.384 -13.604 580 H GLY 75 H GLY 75 12.520 -2.482 -12.013 581 1HA GLY 75 2HA GLY 75 10.473 -2.288 -14.008 582 2HA GLY 75 1HA GLY 75 10.888 -3.719 -13.078 583 H ALA 76 H ALA 76 10.504 -2.136 -10.536 584 HA ALA 76 HA ALA 76 7.828 -2.883 -10.053 585 1HB ALA 76 1HB ALA 76 9.874 -2.456 -8.436 586 2HB ALA 76 2HB ALA 76 8.208 -2.303 -7.879 587 3HB ALA 76 3HB ALA 76 9.130 -0.862 -8.307 588 H GLY 77 H GLY 77 5.945 -1.736 -9.970 589 1HA GLY 77 2HA GLY 77 5.977 0.855 -11.327 590 2HA GLY 77 1HA GLY 77 4.567 -0.160 -11.065 591 H LEU 78 H LEU 78 5.622 2.735 -10.353 592 HA LEU 78 HA LEU 78 4.267 2.769 -7.755 593 1HB LEU 78 2HB LEU 78 6.592 2.761 -7.171 594 2HB LEU 78 1HB LEU 78 6.958 3.984 -8.369 595 HG LEU 78 HG LEU 78 6.918 4.689 -5.909 596 1HD1 LEU 78 1HD1 LEU 78 5.073 6.431 -7.441 597 2HD1 LEU 78 2HD1 LEU 78 6.664 6.102 -8.128 598 3HD1 LEU 78 3HD1 LEU 78 6.528 6.837 -6.530 599 1HD2 LEU 78 1HD2 LEU 78 4.559 3.496 -5.727 600 2HD2 LEU 78 2HD2 LEU 78 3.993 5.095 -6.209 601 3HD2 LEU 78 3HD2 LEU 78 4.971 4.907 -4.753 602 H HIS 79 H HIS 79 2.749 4.297 -7.661 603 HA HIS 79 HA HIS 79 3.061 6.783 -9.124 604 1HB HIS 79 2HB HIS 79 1.267 4.624 -9.982 605 2HB HIS 79 1HB HIS 79 0.469 6.185 -9.821 606 HD1 HIS 79 1HD HIS 79 2.314 8.153 -10.970 607 HD2 HIS 79 2HD HIS 79 1.982 4.328 -12.559 608 HE1 HIS 79 1HE HIS 79 3.147 8.333 -13.336 609 HE2 HIS 79 2HE HIS 79 2.856 6.025 -14.304 610 H THR 80 H THR 80 2.405 8.400 -7.894 611 HA THR 80 HA THR 80 0.509 7.845 -5.709 612 HB THR 80 HB THR 80 2.529 10.090 -5.885 613 HG1 THR 80 1HG THR 80 3.659 8.184 -5.720 614 1HG2 THR 80 1HG2 THR 80 2.099 10.602 -3.685 615 2HG2 THR 80 2HG2 THR 80 1.354 9.038 -3.355 616 3HG2 THR 80 3HG2 THR 80 0.488 10.245 -4.304 617 H ALA 81 H ALA 81 -1.098 9.460 -5.213 618 HA ALA 81 HA ALA 81 -1.502 11.509 -7.281 619 1HB ALA 81 1HB ALA 81 -2.947 9.953 -8.196 620 2HB ALA 81 2HB ALA 81 -4.019 10.858 -7.130 621 3HB ALA 81 3HB ALA 81 -3.394 9.290 -6.625 622 H ALA 82 H ALA 82 -2.472 13.379 -6.522 623 HA ALA 82 HA ALA 82 -3.728 13.395 -3.943 624 1HB ALA 82 1HB ALA 82 -1.053 14.692 -4.275 625 2HB ALA 82 2HB ALA 82 -1.460 13.338 -3.222 626 3HB ALA 82 3HB ALA 82 -2.134 14.937 -2.903 627 H SER 83 H SER 83 -5.327 14.710 -4.052 628 HA SER 83 HA SER 83 -5.080 17.173 -5.646 629 1HB SER 83 2HB SER 83 -6.801 15.372 -6.356 630 2HB SER 83 1HB SER 83 -7.698 15.859 -4.919 631 HG SER 83 HG SER 83 -6.867 17.636 -6.970 632 H CYS 84 H CYS 84 -4.869 18.889 -4.355 633 HA CYS 84 HA CYS 84 -5.895 18.720 -1.623 634 1HB CYS 84 2HB CYS 84 -4.070 20.827 -2.717 635 2HB CYS 84 1HB CYS 84 -4.355 20.422 -1.033 636 HG CYS 84 HG CYS 84 -2.260 19.156 -1.340 637 H TRP 85 H TRP 85 -6.911 20.552 -0.649 638 HA TRP 85 HA TRP 85 -8.927 21.675 -2.350 639 1HB TRP 85 2HB TRP 85 -8.810 21.060 0.306 640 2HB TRP 85 1HB TRP 85 -8.607 22.808 0.357 641 HD1 TRP 85 HD TRP 85 -10.946 20.590 -1.803 642 HE1 TRP 85 1HE TRP 85 -13.335 21.492 -1.554 643 HE3 TRP 85 3HE TRP 85 -10.048 24.361 1.530 644 HZ2 TRP 85 2HZ TRP 85 -14.676 23.534 -0.134 645 HZ3 TRP 85 3HZ TRP 85 -11.939 25.743 2.284 646 HH2 TRP 85 HH TRP 85 -14.205 25.338 1.468 647 H TRP 86 H TRP 86 -9.217 24.267 -1.187 648 HA TRP 86 HA TRP 86 -7.200 25.659 -2.738 649 1HB TRP 86 2HB TRP 86 -9.472 26.901 -1.186 650 2HB TRP 86 1HB TRP 86 -8.587 27.591 -2.543 651 HD1 TRP 86 HD TRP 86 -11.863 26.533 -2.028 652 HE1 TRP 86 1HE TRP 86 -12.937 25.419 -4.084 653 HE3 TRP 86 3HE TRP 86 -7.624 25.466 -4.681 654 HZ2 TRP 86 2HZ TRP 86 -12.099 24.243 -6.510 655 HZ3 TRP 86 3HZ TRP 86 -7.848 24.345 -6.860 656 HH2 TRP 86 HH TRP 86 -10.040 23.746 -7.754 657 H ASP 87 H ASP 87 -5.614 26.938 -1.974 658 HA ASP 87 HA ASP 87 -5.444 28.181 0.500 659 1HB ASP 87 2HB ASP 87 -5.235 25.499 0.946 660 2HB ASP 87 1HB ASP 87 -3.544 25.928 0.723 661 H SER 88 H SER 88 -4.561 29.756 -0.855 662 HA SER 88 HA SER 88 -2.331 29.317 -2.542 663 1HB SER 88 2HB SER 88 -4.117 31.316 -2.334 664 2HB SER 88 1HB SER 88 -2.775 32.043 -1.452 665 HG SER 88 HG SER 88 -1.476 31.433 -3.351 666 H THR 89 H THR 89 -2.641 30.162 0.832 667 HA THR 89 HA THR 89 -0.027 31.134 1.251 668 HB THR 89 HB THR 89 -1.866 31.475 2.851 669 HG1 THR 89 1HG THR 89 0.154 31.680 3.725 670 1HG2 THR 89 1HG2 THR 89 -2.793 29.845 4.193 671 2HG2 THR 89 2HG2 THR 89 -1.504 28.689 3.855 672 3HG2 THR 89 3HG2 THR 89 -2.707 29.055 2.619 673 H THR 90 H THR 90 -1.418 27.892 1.627 674 HA THR 90 HA THR 90 1.208 26.781 2.183 675 HB THR 90 HB THR 90 -0.258 24.621 2.311 676 HG1 THR 90 1HG THR 90 -2.313 24.892 2.092 677 1HG2 THR 90 1HG2 THR 90 0.496 26.450 4.218 678 2HG2 THR 90 2HG2 THR 90 -0.217 24.864 4.516 679 3HG2 THR 90 3HG2 THR 90 -1.244 26.296 4.462 680 H ASP 91 H ASP 91 1.769 27.525 -0.114 681 HA ASP 91 HA ASP 91 1.290 25.258 -1.915 682 1HB ASP 91 2HB ASP 91 -0.140 27.273 -2.498 683 2HB ASP 91 1HB ASP 91 1.359 28.108 -2.899 684 H GLY 92 H GLY 92 3.116 24.343 -2.448 685 1HA GLY 92 2HA GLY 92 5.395 25.916 -3.302 686 2HA GLY 92 1HA GLY 92 5.659 24.979 -1.836 687 H SER 93 H SER 93 5.035 22.645 -2.003 688 HA SER 93 HA SER 93 5.624 20.611 -2.849 689 1HB SER 93 2HB SER 93 3.369 21.259 -3.897 690 2HB SER 93 1HB SER 93 4.282 21.517 -5.382 691 HG SER 93 HG SER 93 3.316 19.327 -4.888 692 H ARG 94 H ARG 94 7.819 20.526 -3.055 693 HA ARG 94 HA ARG 94 8.865 20.933 -5.780 694 1HB ARG 94 2HB ARG 94 10.525 21.408 -3.306 695 2HB ARG 94 1HB ARG 94 10.905 21.837 -4.967 696 1HG ARG 94 2HG ARG 94 8.532 23.054 -3.628 697 2HG ARG 94 1HG ARG 94 10.152 23.670 -3.298 698 1HD ARG 94 2HD ARG 94 10.459 24.407 -5.462 699 2HD ARG 94 1HD ARG 94 9.281 23.275 -6.124 700 HE ARG 94 HE ARG 94 7.826 24.967 -4.535 701 1HH1 ARG 94 1HH1 ARG 94 9.956 25.368 -7.283 702 2HH1 ARG 94 2HH1 ARG 94 9.140 26.781 -7.861 703 1HH2 ARG 94 1HH2 ARG 94 6.761 26.824 -5.302 704 2HH2 ARG 94 2HH2 ARG 94 7.330 27.607 -6.738 705 H THR 95 H THR 95 9.114 18.863 -6.489 706 HA THR 95 HA THR 95 10.033 16.858 -4.578 707 HB THR 95 HB THR 95 7.988 16.408 -5.875 708 HG1 THR 95 1HG THR 95 8.537 14.414 -5.663 709 1HG2 THR 95 1HG2 THR 95 8.002 17.009 -8.013 710 2HG2 THR 95 2HG2 THR 95 8.809 15.462 -8.271 711 3HG2 THR 95 3HG2 THR 95 9.759 16.940 -8.126 712 H VAL 96 H VAL 96 11.685 15.413 -4.976 713 HA VAL 96 HA VAL 96 13.526 16.029 -7.172 714 HB VAL 96 HB VAL 96 14.262 15.932 -4.244 715 1HG1 VAL 96 1HG1 VAL 96 15.878 14.584 -5.578 716 2HG1 VAL 96 2HG1 VAL 96 16.599 16.019 -4.850 717 3HG1 VAL 96 3HG1 VAL 96 16.189 16.012 -6.564 718 1HG2 VAL 96 1HG2 VAL 96 14.275 18.012 -6.356 719 2HG2 VAL 96 2HG2 VAL 96 15.477 18.085 -5.067 720 3HG2 VAL 96 3HG2 VAL 96 13.758 18.110 -4.673 721 H ARG 97 H ARG 97 14.711 14.246 -7.884 722 HA ARG 97 HA ARG 97 13.945 11.670 -6.676 723 1HB ARG 97 2HB ARG 97 14.220 12.485 -9.555 724 2HB ARG 97 1HB ARG 97 14.356 10.799 -9.077 725 1HG ARG 97 2HG ARG 97 12.007 12.102 -7.958 726 2HG ARG 97 1HG ARG 97 12.035 12.126 -9.721 727 1HD ARG 97 2HD ARG 97 12.616 9.601 -8.217 728 2HD ARG 97 1HD ARG 97 10.953 10.114 -8.501 729 HE ARG 97 HE ARG 97 12.745 8.974 -10.405 730 1HH1 ARG 97 1HH1 ARG 97 10.051 11.180 -10.068 731 2HH1 ARG 97 2HH1 ARG 97 9.517 10.965 -11.701 732 1HH2 ARG 97 1HH2 ARG 97 12.036 8.697 -12.547 733 2HH2 ARG 97 2HH2 ARG 97 10.641 9.558 -13.106 734 H TRP 98 H TRP 98 15.597 10.702 -5.738 735 HA TRP 98 HA TRP 98 18.326 11.253 -6.677 736 1HB TRP 98 2HB TRP 98 17.244 10.005 -4.144 737 2HB TRP 98 1HB TRP 98 18.939 9.915 -4.578 738 HD1 TRP 98 HD TRP 98 20.435 11.858 -3.794 739 HE1 TRP 98 1HE TRP 98 20.012 14.138 -2.667 740 HE3 TRP 98 3HE TRP 98 15.356 11.990 -4.214 741 HZ2 TRP 98 2HZ TRP 98 17.764 15.791 -2.084 742 HZ3 TRP 98 3HZ TRP 98 14.145 13.940 -3.353 743 HH2 TRP 98 HH TRP 98 15.328 15.799 -2.314 744 H GLU 99 H GLU 99 19.707 9.625 -7.325 745 HA GLU 99 HA GLU 99 18.707 6.892 -7.448 746 1HB GLU 99 2HB GLU 99 19.830 8.161 -9.934 747 2HB GLU 99 1HB GLU 99 18.967 6.640 -9.781 748 1HG GLU 99 2HG GLU 99 17.301 7.879 -10.653 749 2HG GLU 99 1HG GLU 99 17.046 8.270 -8.954 750 H ASN 100 H ASN 100 20.358 5.332 -7.595 751 HA ASN 100 HA ASN 100 23.097 6.403 -7.390 752 1HB ASN 100 2HB ASN 100 23.470 4.342 -5.842 753 2HB ASN 100 1HB ASN 100 22.718 5.790 -5.184 754 1HD2 ASN 100 1HD2 ASN 100 21.930 4.337 -3.537 755 2HD2 ASN 100 2HD2 ASN 100 20.496 3.418 -3.828 756 H LYS 101 H LYS 101 21.431 3.266 -7.758 757 HA LYS 101 HA LYS 101 23.160 2.708 -10.062 758 1HB LYS 101 2HB LYS 101 23.253 0.299 -9.227 759 2HB LYS 101 1HB LYS 101 24.256 1.473 -8.389 760 1HG LYS 101 2HG LYS 101 23.385 0.577 -6.535 761 2HG LYS 101 1HG LYS 101 21.979 1.563 -6.909 762 1HD LYS 101 2HD LYS 101 21.225 -0.655 -6.462 763 2HD LYS 101 1HD LYS 101 21.049 -0.359 -8.189 764 1HE LYS 101 2HE LYS 101 22.022 -2.391 -8.279 765 2HE LYS 101 1HE LYS 101 23.473 -1.402 -8.240 766 1HZ LYS 101 1HZ LYS 101 23.081 -3.432 -6.599 767 2HZ LYS 101 2HZ LYS 101 22.371 -2.212 -5.669 768 3HZ LYS 101 3HZ LYS 101 23.983 -2.070 -6.157 769 H SER 102 H SER 102 20.294 1.726 -8.231 770 HA SER 102 HA SER 102 18.856 1.332 -10.723 771 1HB SER 102 2HB SER 102 18.399 -0.929 -10.477 772 2HB SER 102 1HB SER 102 20.046 -0.858 -9.861 773 HG SER 102 HG SER 102 17.645 -1.249 -8.496 774 H MET 103 H MET 103 18.743 1.043 -7.187 775 HA MET 103 HA MET 103 15.930 1.422 -6.998 776 1HB MET 103 2HB MET 103 17.728 0.477 -5.278 777 2HB MET 103 1HB MET 103 17.721 2.147 -4.729 778 1HG MET 103 2HG MET 103 15.987 1.604 -3.462 779 2HG MET 103 1HG MET 103 15.041 1.528 -4.947 780 1HE MET 103 1HE MET 103 14.437 0.409 -2.350 781 2HE MET 103 2HE MET 103 14.733 -1.299 -2.025 782 3HE MET 103 3HE MET 103 13.448 -0.823 -3.136 783 H TYR 104 H TYR 104 14.755 3.247 -6.936 784 HA TYR 104 HA TYR 104 16.233 5.799 -6.959 785 1HB TYR 104 2HB TYR 104 13.439 5.316 -8.004 786 2HB TYR 104 1HB TYR 104 14.446 6.736 -8.259 787 HD1 TYR 104 1HD TYR 104 13.082 4.330 -10.066 788 HD2 TYR 104 2HD TYR 104 17.003 5.641 -9.065 789 HE1 TYR 104 1HE TYR 104 13.937 3.341 -12.149 790 HE2 TYR 104 2HE TYR 104 17.869 4.656 -11.145 791 HH TYR 104 HH TYR 104 16.056 3.844 -13.691 792 H CYS 105 H CYS 105 15.489 7.534 -5.730 793 HA CYS 105 HA CYS 105 13.340 6.982 -3.811 794 1HB CYS 105 2HB CYS 105 16.017 8.158 -3.040 795 2HB CYS 105 1HB CYS 105 14.664 7.835 -1.961 796 HG CYS 105 HG CYS 105 15.821 5.357 -3.346 797 H ILE 106 H ILE 106 11.867 8.495 -4.199 798 HA ILE 106 HA ILE 106 12.739 11.168 -5.022 799 HB ILE 106 HB ILE 106 11.125 10.259 -6.513 800 1HG1 ILE 106 2HG1 ILE 106 9.206 11.915 -4.971 801 2HG1 ILE 106 1HG1 ILE 106 10.746 12.677 -5.367 802 1HG2 ILE 106 1HG2 ILE 106 9.528 9.592 -4.064 803 2HG2 ILE 106 2HG2 ILE 106 10.183 8.493 -5.276 804 3HG2 ILE 106 3HG2 ILE 106 8.851 9.571 -5.691 805 1HD1 ILE 106 1HD1 ILE 106 8.542 12.596 -6.973 806 2HD1 ILE 106 2HD1 ILE 106 9.530 11.285 -7.617 807 3HD1 ILE 106 3HD1 ILE 106 10.191 12.917 -7.510 808 H CYS 107 H CYS 107 12.384 12.957 -3.834 809 HA CYS 107 HA CYS 107 10.753 12.770 -1.414 810 1HB CYS 107 2HB CYS 107 13.115 12.333 -0.765 811 2HB CYS 107 1HB CYS 107 13.557 13.901 -1.429 812 HG CYS 107 HG CYS 107 13.012 13.744 1.284 813 H THR 108 H THR 108 9.405 14.430 -1.312 814 HA THR 108 HA THR 108 10.111 16.870 -2.778 815 HB THR 108 HB THR 108 8.132 15.435 -3.597 816 HG1 THR 108 1HG THR 108 7.111 17.270 -4.276 817 1HG2 THR 108 1HG2 THR 108 6.806 16.769 -1.240 818 2HG2 THR 108 2HG2 THR 108 6.947 15.037 -1.541 819 3HG2 THR 108 3HG2 THR 108 5.954 16.037 -2.600 820 H VAL 109 H VAL 109 10.169 18.739 -1.756 821 HA VAL 109 HA VAL 109 9.277 18.791 1.045 822 HB VAL 109 HB VAL 109 10.839 21.118 0.150 823 1HG1 VAL 109 1HG1 VAL 109 12.092 20.477 2.279 824 2HG1 VAL 109 2HG1 VAL 109 10.855 19.238 2.486 825 3HG1 VAL 109 3HG1 VAL 109 10.398 20.940 2.438 826 1HG2 VAL 109 1HG2 VAL 109 13.000 19.663 0.506 827 2HG2 VAL 109 2HG2 VAL 109 12.273 19.848 -1.090 828 3HG2 VAL 109 3HG2 VAL 109 11.974 18.387 -0.150 829 H PHE 110 H PHE 110 7.512 19.919 1.490 830 HA PHE 110 HA PHE 110 6.417 21.625 -0.608 831 1HB PHE 110 2HB PHE 110 5.296 20.050 1.625 832 2HB PHE 110 1HB PHE 110 4.471 21.563 1.265 833 HD1 PHE 110 1HD PHE 110 2.893 21.639 -0.420 834 HD2 PHE 110 2HD PHE 110 5.710 18.451 -0.354 835 HE1 PHE 110 1HE PHE 110 1.686 20.542 -2.262 836 HE2 PHE 110 2HE PHE 110 4.509 17.348 -2.196 837 HZ PHE 110 HZ PHE 110 2.494 18.393 -3.153 838 H GLY 111 H GLY 111 7.303 23.577 -0.478 839 1HA GLY 111 2HA GLY 111 7.795 24.867 2.072 840 2HA GLY 111 1HA GLY 111 8.132 25.537 0.480 841 H LEU 112 H LEU 112 5.827 25.250 3.039 842 HA LEU 112 HA LEU 112 3.790 26.684 1.519 843 1HB LEU 112 2HB LEU 112 3.809 25.364 4.227 844 2HB LEU 112 1HB LEU 112 2.461 26.324 3.660 845 HG LEU 112 HG LEU 112 1.713 24.690 2.249 846 1HD1 LEU 112 1HD1 LEU 112 2.976 23.124 1.011 847 2HD1 LEU 112 2HD1 LEU 112 4.413 23.422 1.982 848 3HD1 LEU 112 3HD1 LEU 112 3.819 24.668 0.888 849 1HD2 LEU 112 1HD2 LEU 112 1.577 23.615 4.319 850 2HD2 LEU 112 2HD2 LEU 112 3.303 23.253 4.333 851 3HD2 LEU 112 3HD2 LEU 112 2.236 22.412 3.210 852 H ALA 113 H ALA 113 3.430 28.800 1.709 853 HA ALA 113 HA ALA 113 5.152 30.405 3.345 854 1HB ALA 113 1HB ALA 113 4.096 30.895 0.993 855 2HB ALA 113 2HB ALA 113 4.406 32.204 2.134 856 3HB ALA 113 3HB ALA 113 2.777 31.554 1.960 857 H ILE 114 H ILE 114 4.442 29.451 5.413 858 HA ILE 114 HA ILE 114 3.367 29.608 7.414 859 HB ILE 114 HB ILE 114 2.084 32.117 6.339 860 1HG1 ILE 114 2HG1 ILE 114 4.761 31.843 7.724 861 2HG1 ILE 114 1HG1 ILE 114 4.549 32.137 6.001 862 1HG2 ILE 114 1HG2 ILE 114 2.504 30.940 9.048 863 2HG2 ILE 114 2HG2 ILE 114 1.067 31.697 8.361 864 3HG2 ILE 114 3HG2 ILE 114 2.434 32.693 8.861 865 1HD1 ILE 114 1HD1 ILE 114 3.262 34.007 7.912 866 2HD1 ILE 114 2HD1 ILE 114 3.933 34.306 6.308 867 3HD1 ILE 114 3HD1 ILE 114 5.009 34.094 7.690 868 1H MET 1 1HT MET 1 -12.087 -19.314 -0.893 869 HA MET 1 HA MET 1 -14.981 -19.094 -1.210 870 1HB MET 1 2HB MET 1 -13.716 -20.240 0.838 871 2HB MET 1 1HB MET 1 -13.465 -18.562 1.303 872 1HG MET 1 2HG MET 1 -15.646 -18.220 1.784 873 2HG MET 1 1HG MET 1 -16.211 -19.333 0.540 874 1HE MET 1 1HE MET 1 -17.732 -20.532 1.267 875 2HE MET 1 2HE MET 1 -18.001 -21.183 2.884 876 3HE MET 1 3HE MET 1 -17.156 -22.148 1.674 877 H GLU 2 H GLU 2 -12.901 -17.583 -2.621 878 HA GLU 2 HA GLU 2 -13.380 -14.938 -1.409 879 1HB GLU 2 2HB GLU 2 -11.012 -15.556 -1.244 880 2HB GLU 2 1HB GLU 2 -10.955 -15.833 -2.978 881 1HG GLU 2 2HG GLU 2 -11.731 -13.362 -3.135 882 2HG GLU 2 1HG GLU 2 -11.136 -13.262 -1.478 883 H GLY 3 H GLY 3 -12.161 -16.128 -4.544 884 1HA GLY 3 2HA GLY 3 -13.025 -15.864 -6.671 885 2HA GLY 3 1HA GLY 3 -14.499 -15.236 -5.950 886 H VAL 4 H VAL 4 -14.059 -12.992 -4.823 887 HA VAL 4 HA VAL 4 -12.486 -11.352 -6.703 888 HB VAL 4 HB VAL 4 -15.059 -10.484 -5.386 889 1HG1 VAL 4 1HG1 VAL 4 -14.877 -8.786 -7.329 890 2HG1 VAL 4 2HG1 VAL 4 -13.176 -9.251 -7.360 891 3HG1 VAL 4 3HG1 VAL 4 -13.875 -8.556 -5.897 892 1HG2 VAL 4 1HG2 VAL 4 -15.682 -12.210 -6.886 893 2HG2 VAL 4 2HG2 VAL 4 -14.565 -11.635 -8.123 894 3HG2 VAL 4 3HG2 VAL 4 -15.999 -10.689 -7.721 895 H ASP 5 H ASP 5 -11.691 -9.327 -5.843 896 HA ASP 5 HA ASP 5 -11.424 -9.291 -2.929 897 1HB ASP 5 2HB ASP 5 -9.338 -10.105 -3.688 898 2HB ASP 5 1HB ASP 5 -9.352 -9.081 -5.112 899 HA PRO 6 HA PRO 6 -12.745 -5.078 -4.267 900 1HB PRO 6 2HB PRO 6 -15.305 -5.157 -3.566 901 2HB PRO 6 1HB PRO 6 -14.748 -6.037 -4.996 902 1HG PRO 6 2HG PRO 6 -15.599 -7.080 -2.366 903 2HG PRO 6 1HG PRO 6 -15.569 -7.891 -3.940 904 1HD PRO 6 2HD PRO 6 -13.589 -7.979 -1.809 905 2HD PRO 6 1HD PRO 6 -13.649 -8.928 -3.309 906 H ALA 7 H ALA 7 -11.733 -3.746 -2.733 907 HA ALA 7 HA ALA 7 -11.290 -2.719 -0.708 908 1HB ALA 7 1HB ALA 7 -13.762 -2.071 -1.385 909 2HB ALA 7 2HB ALA 7 -13.072 -1.584 0.163 910 3HB ALA 7 3HB ALA 7 -14.145 -2.981 0.076 911 H VAL 8 H VAL 8 -11.134 -5.566 -0.799 912 HA VAL 8 HA VAL 8 -12.302 -6.856 1.393 913 HB VAL 8 HB VAL 8 -9.621 -7.893 0.758 914 1HG1 VAL 8 1HG1 VAL 8 -12.356 -9.087 0.504 915 2HG1 VAL 8 2HG1 VAL 8 -11.322 -9.150 1.931 916 3HG1 VAL 8 3HG1 VAL 8 -10.821 -9.952 0.442 917 1HG2 VAL 8 1HG2 VAL 8 -10.268 -8.750 -1.472 918 2HG2 VAL 8 2HG2 VAL 8 -9.919 -7.024 -1.418 919 3HG2 VAL 8 3HG2 VAL 8 -11.590 -7.585 -1.483 920 H GLU 9 H GLU 9 -9.356 -5.037 1.023 921 HA GLU 9 HA GLU 9 -8.923 -5.264 3.924 922 1HB GLU 9 2HB GLU 9 -6.625 -5.011 2.027 923 2HB GLU 9 1HB GLU 9 -6.673 -5.696 3.633 924 1HG GLU 9 2HG GLU 9 -7.841 -7.650 2.800 925 2HG GLU 9 1HG GLU 9 -7.834 -6.962 1.177 926 H GLU 10 H GLU 10 -10.140 -3.264 3.954 927 HA GLU 10 HA GLU 10 -9.151 -0.902 2.709 928 1HB GLU 10 2HB GLU 10 -11.508 -1.611 3.868 929 2HB GLU 10 1HB GLU 10 -10.813 -0.603 5.128 930 1HG GLU 10 2HG GLU 10 -11.902 0.993 3.954 931 2HG GLU 10 1HG GLU 10 -10.371 1.007 3.081 932 H ALA 11 H ALA 11 -8.256 0.958 3.766 933 HA ALA 11 HA ALA 11 -6.580 0.257 6.085 934 1HB ALA 11 1HB ALA 11 -5.045 2.039 5.266 935 2HB ALA 11 2HB ALA 11 -6.066 2.195 3.837 936 3HB ALA 11 3HB ALA 11 -5.225 0.678 4.159 937 H ALA 12 H ALA 12 -5.990 2.063 7.520 938 HA ALA 12 HA ALA 12 -6.697 3.523 9.128 939 1HB ALA 12 1HB ALA 12 -7.733 5.323 7.008 940 2HB ALA 12 2HB ALA 12 -6.030 4.862 6.966 941 3HB ALA 12 3HB ALA 12 -6.689 5.675 8.386 942 H PHE 13 H PHE 13 -8.661 5.372 9.360 943 HA PHE 13 HA PHE 13 -11.212 4.042 8.857 944 1HB PHE 13 2HB PHE 13 -10.209 3.426 11.169 945 2HB PHE 13 1HB PHE 13 -10.619 5.079 11.618 946 HD1 PHE 13 1HD PHE 13 -12.943 5.788 11.769 947 HD2 PHE 13 2HD PHE 13 -11.910 1.768 10.825 948 HE1 PHE 13 1HE PHE 13 -15.246 5.082 12.267 949 HE2 PHE 13 2HE PHE 13 -14.211 1.056 11.321 950 HZ PHE 13 HZ PHE 13 -15.884 2.715 12.043 951 H VAL 14 H VAL 14 -10.912 5.973 7.342 952 HA VAL 14 HA VAL 14 -11.009 8.619 8.206 953 HB VAL 14 HB VAL 14 -12.465 7.641 5.757 954 1HG1 VAL 14 1HG1 VAL 14 -12.791 9.970 6.241 955 2HG1 VAL 14 2HG1 VAL 14 -11.714 9.825 4.853 956 3HG1 VAL 14 3HG1 VAL 14 -11.056 10.216 6.443 957 1HG2 VAL 14 1HG2 VAL 14 -9.881 8.415 4.993 958 2HG2 VAL 14 2HG2 VAL 14 -10.569 6.792 4.961 959 3HG2 VAL 14 3HG2 VAL 14 -9.666 7.338 6.373 960 H ALA 15 H ALA 15 -12.776 10.126 8.284 961 HA ALA 15 HA ALA 15 -14.938 9.275 9.855 962 1HB ALA 15 1HB ALA 15 -14.341 11.796 8.354 963 2HB ALA 15 2HB ALA 15 -14.413 11.523 10.094 964 3HB ALA 15 3HB ALA 15 -15.899 11.575 9.147 965 H ASP 16 H ASP 16 -17.239 9.356 9.319 966 HA ASP 16 HA ASP 16 -17.901 7.749 7.144 967 1HB ASP 16 2HB ASP 16 -19.579 9.568 8.864 968 2HB ASP 16 1HB ASP 16 -20.276 8.537 7.618 969 H ASP 17 H ASP 17 -18.247 11.259 7.523 970 HA ASP 17 HA ASP 17 -19.519 11.842 5.136 971 1HB ASP 17 2HB ASP 17 -19.092 13.410 7.054 972 2HB ASP 17 1HB ASP 17 -17.447 13.595 6.453 973 H VAL 18 H VAL 18 -15.991 11.923 5.733 974 HA VAL 18 HA VAL 18 -15.437 12.416 2.957 975 HB VAL 18 HB VAL 18 -13.467 11.565 5.077 976 1HG1 VAL 18 1HG1 VAL 18 -13.076 11.789 2.412 977 2HG1 VAL 18 2HG1 VAL 18 -11.825 12.070 3.622 978 3HG1 VAL 18 3HG1 VAL 18 -12.709 13.433 2.936 979 1HG2 VAL 18 1HG2 VAL 18 -13.080 14.161 5.062 980 2HG2 VAL 18 2HG2 VAL 18 -14.325 13.441 6.082 981 3HG2 VAL 18 3HG2 VAL 18 -14.768 14.193 4.549 982 H SER 19 H SER 19 -15.525 9.592 5.027 983 HA SER 19 HA SER 19 -14.058 7.846 3.396 984 1HB SER 19 2HB SER 19 -15.145 6.033 4.632 985 2HB SER 19 1HB SER 19 -14.643 7.319 5.729 986 HG SER 19 HG SER 19 -17.225 6.614 4.868 987 H ASN 20 H ASN 20 -17.509 8.663 3.422 988 HA ASN 20 HA ASN 20 -18.191 6.724 1.454 989 1HB ASN 20 2HB ASN 20 -20.360 7.715 1.409 990 2HB ASN 20 1HB ASN 20 -19.807 7.775 3.076 991 1HD2 ASN 20 1HD2 ASN 20 -19.759 9.676 4.088 992 2HD2 ASN 20 2HD2 ASN 20 -20.070 11.204 3.344 993 H ILE 21 H ILE 21 -17.644 10.246 1.244 994 HA ILE 21 HA ILE 21 -18.130 10.586 -1.477 995 HB ILE 21 HB ILE 21 -16.083 12.021 0.247 996 1HG1 ILE 21 2HG1 ILE 21 -18.932 12.764 -0.438 997 2HG1 ILE 21 1HG1 ILE 21 -18.385 12.139 1.113 998 1HG2 ILE 21 1HG2 ILE 21 -15.495 12.572 -1.953 999 2HG2 ILE 21 2HG2 ILE 21 -16.524 13.903 -1.428 1000 3HG2 ILE 21 3HG2 ILE 21 -17.176 12.647 -2.481 1001 1HD1 ILE 21 1HD1 ILE 21 -17.096 14.100 1.523 1002 2HD1 ILE 21 2HD1 ILE 21 -18.721 14.597 1.047 1003 3HD1 ILE 21 3HD1 ILE 21 -17.394 14.696 -0.110 1004 H ILE 22 H ILE 22 -14.986 9.987 0.106 1005 HA ILE 22 HA ILE 22 -13.493 9.869 -2.241 1006 HB ILE 22 HB ILE 22 -12.617 10.071 0.115 1007 1HG1 ILE 22 2HG1 ILE 22 -10.741 8.156 -0.706 1008 2HG1 ILE 22 1HG1 ILE 22 -11.465 8.764 -2.189 1009 1HG2 ILE 22 1HG2 ILE 22 -13.805 8.137 1.067 1010 2HG2 ILE 22 2HG2 ILE 22 -12.066 8.080 1.357 1011 3HG2 ILE 22 3HG2 ILE 22 -12.784 7.064 0.108 1012 1HD1 ILE 22 1HD1 ILE 22 -10.263 10.609 -2.051 1013 2HD1 ILE 22 2HD1 ILE 22 -9.457 9.938 -0.633 1014 3HD1 ILE 22 3HD1 ILE 22 -10.890 10.944 -0.437 1015 H LYS 23 H LYS 23 -14.939 7.180 -0.388 1016 HA LYS 23 HA LYS 23 -14.040 5.172 -2.157 1017 1HB LYS 23 2HB LYS 23 -16.108 5.285 -0.005 1018 2HB LYS 23 1HB LYS 23 -15.990 3.867 -1.038 1019 1HG LYS 23 2HG LYS 23 -13.734 3.487 -0.367 1020 2HG LYS 23 1HG LYS 23 -13.687 5.020 0.504 1021 1HD LYS 23 2HD LYS 23 -14.768 4.185 2.297 1022 2HD LYS 23 1HD LYS 23 -15.865 3.216 1.311 1023 1HE LYS 23 2HE LYS 23 -14.491 1.409 1.309 1024 2HE LYS 23 1HE LYS 23 -13.029 2.390 1.400 1025 1HZ LYS 23 1HZ LYS 23 -14.826 2.332 3.716 1026 2HZ LYS 23 2HZ LYS 23 -13.147 2.522 3.663 1027 3HZ LYS 23 3HZ LYS 23 -13.831 0.993 3.438 1028 H GLU 24 H GLU 24 -17.219 6.783 -1.897 1029 HA GLU 24 HA GLU 24 -18.476 5.407 -3.982 1030 1HB GLU 24 2HB GLU 24 -18.891 7.984 -2.603 1031 2HB GLU 24 1HB GLU 24 -19.511 7.948 -4.235 1032 1HG GLU 24 2HG GLU 24 -21.344 7.087 -3.315 1033 2HG GLU 24 1HG GLU 24 -20.428 5.582 -3.248 1034 H SER 25 H SER 25 -16.210 8.075 -3.997 1035 HA SER 25 HA SER 25 -16.452 8.732 -6.737 1036 1HB SER 25 2HB SER 25 -15.323 10.070 -4.817 1037 2HB SER 25 1HB SER 25 -13.906 9.082 -5.169 1038 HG SER 25 HG SER 25 -14.160 9.823 -7.391 1039 H ILE 26 H ILE 26 -14.137 6.606 -4.974 1040 HA ILE 26 HA ILE 26 -12.669 5.833 -7.255 1041 HB ILE 26 HB ILE 26 -13.008 4.701 -4.521 1042 1HG1 ILE 26 2HG1 ILE 26 -10.417 4.591 -4.976 1043 2HG1 ILE 26 1HG1 ILE 26 -10.827 5.676 -6.299 1044 1HG2 ILE 26 1HG2 ILE 26 -11.348 2.820 -5.365 1045 2HG2 ILE 26 2HG2 ILE 26 -12.252 3.021 -6.865 1046 3HG2 ILE 26 3HG2 ILE 26 -13.095 2.574 -5.381 1047 1HD1 ILE 26 1HD1 ILE 26 -12.041 7.040 -4.507 1048 2HD1 ILE 26 2HD1 ILE 26 -10.284 7.104 -4.572 1049 3HD1 ILE 26 3HD1 ILE 26 -11.088 6.107 -3.362 1050 H ASP 27 H ASP 27 -15.542 4.480 -5.764 1051 HA ASP 27 HA ASP 27 -15.909 2.227 -7.310 1052 1HB ASP 27 2HB ASP 27 -17.343 2.598 -5.450 1053 2HB ASP 27 1HB ASP 27 -17.821 4.175 -6.029 1054 H ALA 28 H ALA 28 -16.641 5.591 -8.039 1055 HA ALA 28 HA ALA 28 -17.765 4.923 -10.642 1056 1HB ALA 28 1HB ALA 28 -18.392 7.211 -10.786 1057 2HB ALA 28 2HB ALA 28 -17.286 7.661 -9.488 1058 3HB ALA 28 3HB ALA 28 -18.713 6.690 -9.131 1059 H VAL 29 H VAL 29 -14.923 6.584 -9.347 1060 HA VAL 29 HA VAL 29 -13.889 7.387 -11.855 1061 HB VAL 29 HB VAL 29 -13.181 7.598 -9.029 1062 1HG1 VAL 29 1HG1 VAL 29 -10.968 7.003 -10.835 1063 2HG1 VAL 29 2HG1 VAL 29 -11.053 6.988 -9.077 1064 3HG1 VAL 29 3HG1 VAL 29 -10.821 8.495 -9.930 1065 1HG2 VAL 29 1HG2 VAL 29 -13.466 9.712 -9.497 1066 2HG2 VAL 29 2HG2 VAL 29 -13.770 9.271 -11.175 1067 3HG2 VAL 29 3HG2 VAL 29 -12.144 9.678 -10.654 1068 H LEU 30 H LEU 30 -14.055 4.353 -10.371 1069 HA LEU 30 HA LEU 30 -11.835 3.389 -12.035 1070 1HB LEU 30 2HB LEU 30 -12.826 2.408 -9.370 1071 2HB LEU 30 1HB LEU 30 -11.806 1.435 -10.406 1072 HG LEU 30 HG LEU 30 -10.565 2.647 -8.598 1073 1HD1 LEU 30 1HD1 LEU 30 -9.618 1.960 -10.855 1074 2HD1 LEU 30 2HD1 LEU 30 -8.733 3.179 -9.935 1075 3HD1 LEU 30 3HD1 LEU 30 -9.758 3.662 -11.284 1076 1HD2 LEU 30 1HD2 LEU 30 -10.390 4.917 -8.491 1077 2HD2 LEU 30 2HD2 LEU 30 -12.052 4.779 -9.052 1078 3HD2 LEU 30 3HD2 LEU 30 -10.764 5.135 -10.196 1079 H GLN 31 H GLN 31 -15.208 2.884 -11.057 1080 HA GLN 31 HA GLN 31 -15.376 0.536 -12.788 1081 1HB GLN 31 2HB GLN 31 -16.515 0.750 -10.495 1082 2HB GLN 31 1HB GLN 31 -17.680 1.761 -11.327 1083 1HG GLN 31 2HG GLN 31 -18.314 0.009 -12.768 1084 2HG GLN 31 1HG GLN 31 -17.012 -1.007 -12.173 1085 1HE2 GLN 31 1HE2 GLN 31 -20.059 0.495 -11.338 1086 2HE2 GLN 31 2HE2 GLN 31 -20.457 -0.581 -10.046 1087 H ASN 32 H ASN 32 -15.866 3.910 -13.072 1088 HA ASN 32 HA ASN 32 -18.054 4.191 -14.707 1089 1HB ASN 32 2HB ASN 32 -16.763 6.086 -15.806 1090 2HB ASN 32 1HB ASN 32 -16.929 6.168 -14.059 1091 1HD2 ASN 32 1HD2 ASN 32 -14.915 7.155 -16.113 1092 2HD2 ASN 32 2HD2 ASN 32 -13.387 6.696 -15.450 1093 H GLN 33 H GLN 33 -14.780 3.244 -15.701 1094 HA GLN 33 HA GLN 33 -15.937 2.291 -18.238 1095 1HB GLN 33 2HB GLN 33 -14.298 4.438 -18.120 1096 2HB GLN 33 1HB GLN 33 -13.108 3.156 -18.282 1097 1HG GLN 33 2HG GLN 33 -13.600 2.811 -20.428 1098 2HG GLN 33 1HG GLN 33 -15.336 2.901 -20.140 1099 1HE2 GLN 33 1HE2 GLN 33 -16.330 4.526 -21.076 1100 2HE2 GLN 33 2HE2 GLN 33 -15.622 6.034 -21.532 1101 H GLN 34 H GLN 34 -13.836 1.027 -19.341 1102 HA GLN 34 HA GLN 34 -13.584 -1.300 -17.660 1103 1HB GLN 34 2HB GLN 34 -13.843 -1.035 -20.315 1104 2HB GLN 34 1HB GLN 34 -12.089 -1.109 -20.221 1105 1HG GLN 34 2HG GLN 34 -13.119 -3.299 -20.627 1106 2HG GLN 34 1HG GLN 34 -12.188 -3.251 -19.131 1107 1HE2 GLN 34 1HE2 GLN 34 -15.293 -3.640 -20.556 1108 2HE2 GLN 34 2HE2 GLN 34 -16.151 -4.033 -19.109 1109 H TYR 35 H TYR 35 -11.425 -2.409 -17.488 1110 HA TYR 35 HA TYR 35 -9.615 -0.771 -16.096 1111 1HB TYR 35 2HB TYR 35 -9.882 -3.176 -15.669 1112 2HB TYR 35 1HB TYR 35 -9.201 -3.531 -17.252 1113 HD1 TYR 35 1HD TYR 35 -8.494 -2.830 -13.797 1114 HD2 TYR 35 2HD TYR 35 -6.786 -2.928 -17.694 1115 HE1 TYR 35 1HE TYR 35 -6.244 -2.910 -12.803 1116 HE2 TYR 35 2HE TYR 35 -4.534 -3.007 -16.709 1117 HH TYR 35 HH TYR 35 -3.747 -3.919 -13.987 1118 H SER 36 H SER 36 -8.406 0.815 -17.058 1119 HA SER 36 HA SER 36 -6.984 0.035 -19.538 1120 1HB SER 36 2HB SER 36 -8.555 2.479 -18.902 1121 2HB SER 36 1HB SER 36 -7.063 2.705 -19.815 1122 HG SER 36 HG SER 36 -7.914 1.705 -21.485 1123 H GLU 37 H GLU 37 -4.807 0.151 -19.407 1124 HA GLU 37 HA GLU 37 -3.511 0.823 -17.009 1125 1HB GLU 37 2HB GLU 37 -2.534 -0.678 -18.717 1126 2HB GLU 37 1HB GLU 37 -2.286 0.711 -19.770 1127 1HG GLU 37 2HG GLU 37 -0.336 1.094 -18.808 1128 2HG GLU 37 1HG GLU 37 -1.142 1.343 -17.268 1129 H ALA 38 H ALA 38 -4.038 2.675 -19.971 1130 HA ALA 38 HA ALA 38 -2.473 4.919 -19.302 1131 1HB ALA 38 1HB ALA 38 -4.758 4.401 -21.133 1132 2HB ALA 38 2HB ALA 38 -3.136 4.998 -21.490 1133 3HB ALA 38 3HB ALA 38 -4.337 6.076 -20.777 1134 H LYS 39 H LYS 39 -5.579 3.807 -18.255 1135 HA LYS 39 HA LYS 39 -6.226 6.303 -16.905 1136 1HB LYS 39 2HB LYS 39 -7.679 3.987 -17.923 1137 2HB LYS 39 1HB LYS 39 -8.198 4.458 -16.319 1138 1HG LYS 39 2HG LYS 39 -9.541 5.514 -18.025 1139 2HG LYS 39 1HG LYS 39 -8.636 6.716 -17.107 1140 1HD LYS 39 2HD LYS 39 -8.243 7.461 -19.226 1141 2HD LYS 39 1HD LYS 39 -6.884 6.352 -19.040 1142 1HE LYS 39 2HE LYS 39 -7.813 4.764 -20.424 1143 2HE LYS 39 1HE LYS 39 -9.459 5.323 -20.132 1144 1HZ LYS 39 1HZ LYS 39 -8.591 7.438 -21.350 1145 2HZ LYS 39 2HZ LYS 39 -9.093 6.090 -22.238 1146 3HZ LYS 39 3HZ LYS 39 -7.444 6.371 -21.989 1147 H VAL 40 H VAL 40 -4.746 3.291 -16.241 1148 HA VAL 40 HA VAL 40 -5.545 2.667 -13.693 1149 HB VAL 40 HB VAL 40 -3.170 2.132 -15.342 1150 1HG1 VAL 40 1HG1 VAL 40 -2.007 2.899 -13.307 1151 2HG1 VAL 40 2HG1 VAL 40 -1.757 1.188 -13.648 1152 3HG1 VAL 40 3HG1 VAL 40 -2.883 1.680 -12.383 1153 1HG2 VAL 40 1HG2 VAL 40 -4.849 0.458 -13.501 1154 2HG2 VAL 40 2HG2 VAL 40 -3.591 -0.160 -14.570 1155 3HG2 VAL 40 3HG2 VAL 40 -5.023 0.615 -15.250 1156 H SER 41 H SER 41 -3.608 5.367 -14.709 1157 HA SER 41 HA SER 41 -3.091 6.074 -11.892 1158 1HB SER 41 2HB SER 41 -1.278 7.471 -12.666 1159 2HB SER 41 1HB SER 41 -1.089 5.881 -13.404 1160 HG SER 41 HG SER 41 -0.815 7.599 -14.908 1161 H GLN 42 H GLN 42 -4.405 7.179 -14.938 1162 HA GLN 42 HA GLN 42 -5.041 9.809 -14.099 1163 1HB GLN 42 2HB GLN 42 -6.362 8.140 -16.249 1164 2HB GLN 42 1HB GLN 42 -6.512 9.877 -16.065 1165 1HG GLN 42 2HG GLN 42 -3.886 8.505 -16.546 1166 2HG GLN 42 1HG GLN 42 -4.926 9.088 -17.845 1167 1HE2 GLN 42 1HE2 GLN 42 -3.233 10.120 -14.923 1168 2HE2 GLN 42 2HE2 GLN 42 -2.924 11.733 -15.456 1169 H TRP 43 H TRP 43 -6.580 6.713 -13.829 1170 HA TRP 43 HA TRP 43 -9.190 7.246 -13.201 1171 1HB TRP 43 2HB TRP 43 -7.155 5.262 -12.228 1172 2HB TRP 43 1HB TRP 43 -8.695 5.348 -11.391 1173 HD1 TRP 43 HD TRP 43 -9.990 5.900 -14.588 1174 HE1 TRP 43 1HE TRP 43 -10.591 3.763 -15.815 1175 HE3 TRP 43 3HE TRP 43 -7.214 2.594 -11.863 1176 HZ2 TRP 43 2HZ TRP 43 -9.989 1.039 -15.692 1177 HZ3 TRP 43 3HZ TRP 43 -7.276 0.218 -12.501 1178 HH2 TRP 43 HH TRP 43 -8.637 -0.546 -14.380 1179 H THR 44 H THR 44 -6.646 6.798 -10.796 1180 HA THR 44 HA THR 44 -8.042 7.859 -8.640 1181 HB THR 44 HB THR 44 -5.816 6.458 -8.872 1182 HG1 THR 44 1HG THR 44 -6.607 6.469 -6.920 1183 1HG2 THR 44 1HG2 THR 44 -4.256 8.013 -9.646 1184 2HG2 THR 44 2HG2 THR 44 -3.912 7.778 -7.933 1185 3HG2 THR 44 3HG2 THR 44 -4.758 9.226 -8.470 1186 H SER 45 H SER 45 -6.399 9.510 -11.181 1187 HA SER 45 HA SER 45 -6.017 11.966 -9.755 1188 1HB SER 45 2HB SER 45 -5.173 12.844 -11.732 1189 2HB SER 45 1HB SER 45 -4.851 11.128 -11.949 1190 HG SER 45 HG SER 45 -6.302 12.738 -13.483 1191 H SER 46 H SER 46 -8.456 10.566 -11.827 1192 HA SER 46 HA SER 46 -10.114 12.884 -11.937 1193 1HB SER 46 2HB SER 46 -10.112 10.245 -13.060 1194 2HB SER 46 1HB SER 46 -11.681 10.540 -12.319 1195 HG SER 46 HG SER 46 -10.591 11.617 -14.571 1196 H CYS 47 H CYS 47 -9.745 10.164 -9.777 1197 HA CYS 47 HA CYS 47 -12.144 10.553 -8.321 1198 1HB CYS 47 2HB CYS 47 -10.057 8.708 -8.223 1199 2HB CYS 47 1HB CYS 47 -9.929 9.574 -6.717 1200 HG CYS 47 HG CYS 47 -11.609 7.434 -6.721 1201 H LEU 48 H LEU 48 -8.891 11.798 -8.100 1202 HA LEU 48 HA LEU 48 -9.195 13.157 -5.662 1203 1HB LEU 48 2HB LEU 48 -7.230 13.045 -7.835 1204 2HB LEU 48 1HB LEU 48 -7.323 14.612 -7.061 1205 HG LEU 48 HG LEU 48 -6.482 13.842 -5.075 1206 1HD1 LEU 48 1HD1 LEU 48 -6.454 11.411 -4.432 1207 2HD1 LEU 48 2HD1 LEU 48 -7.515 11.121 -5.810 1208 3HD1 LEU 48 3HD1 LEU 48 -8.043 12.162 -4.495 1209 1HD2 LEU 48 1HD2 LEU 48 -4.602 12.302 -5.555 1210 2HD2 LEU 48 2HD2 LEU 48 -4.745 13.606 -6.734 1211 3HD2 LEU 48 3HD2 LEU 48 -5.313 11.987 -7.137 1212 H GLU 49 H GLU 49 -9.919 14.006 -8.980 1213 HA GLU 49 HA GLU 49 -10.620 16.697 -8.228 1214 1HB GLU 49 2HB GLU 49 -9.846 15.974 -10.565 1215 2HB GLU 49 1HB GLU 49 -11.500 15.400 -10.784 1216 1HG GLU 49 2HG GLU 49 -12.175 17.733 -9.964 1217 2HG GLU 49 1HG GLU 49 -10.524 18.190 -10.342 1218 H HIS 50 H HIS 50 -12.195 13.613 -8.634 1219 HA HIS 50 HA HIS 50 -14.844 14.735 -8.294 1220 1HB HIS 50 2HB HIS 50 -13.827 11.900 -8.527 1221 2HB HIS 50 1HB HIS 50 -15.520 12.290 -8.241 1222 HD1 HIS 50 1HD HIS 50 -16.597 11.718 -10.416 1223 HD2 HIS 50 2HD HIS 50 -13.157 13.996 -10.913 1224 HE1 HIS 50 1HE HIS 50 -16.504 12.268 -12.867 1225 HE2 HIS 50 2HE HIS 50 -14.464 13.722 -13.130 1226 H CYS 51 H CYS 51 -12.371 14.327 -6.205 1227 HA CYS 51 HA CYS 51 -14.054 13.461 -3.954 1228 1HB CYS 51 2HB CYS 51 -11.769 12.317 -4.348 1229 2HB CYS 51 1HB CYS 51 -11.040 13.862 -3.928 1230 HG CYS 51 HG CYS 51 -12.810 13.116 -1.682 1231 H ILE 52 H ILE 52 -11.770 15.830 -5.128 1232 HA ILE 52 HA ILE 52 -12.019 17.681 -3.019 1233 HB ILE 52 HB ILE 52 -10.114 17.499 -4.613 1234 1HG1 ILE 52 2HG1 ILE 52 -10.375 19.501 -3.266 1235 2HG1 ILE 52 1HG1 ILE 52 -9.639 19.842 -4.826 1236 1HG2 ILE 52 1HG2 ILE 52 -11.625 17.291 -6.629 1237 2HG2 ILE 52 2HG2 ILE 52 -10.162 18.254 -6.800 1238 3HG2 ILE 52 3HG2 ILE 52 -11.717 19.049 -6.578 1239 1HD1 ILE 52 1HD1 ILE 52 -12.186 20.722 -3.701 1240 2HD1 ILE 52 2HD1 ILE 52 -12.199 20.283 -5.408 1241 3HD1 ILE 52 3HD1 ILE 52 -11.090 21.523 -4.825 1242 H LYS 53 H LYS 53 -13.518 17.476 -6.267 1243 HA LYS 53 HA LYS 53 -14.992 19.850 -6.125 1244 1HB LYS 53 2HB LYS 53 -15.142 17.374 -7.752 1245 2HB LYS 53 1HB LYS 53 -16.593 18.355 -7.695 1246 1HG LYS 53 2HG LYS 53 -15.117 18.833 -9.627 1247 2HG LYS 53 1HG LYS 53 -15.450 20.232 -8.617 1248 1HD LYS 53 2HD LYS 53 -13.060 18.738 -7.858 1249 2HD LYS 53 1HD LYS 53 -12.984 19.462 -9.460 1250 1HE LYS 53 2HE LYS 53 -13.966 21.133 -7.200 1251 2HE LYS 53 1HE LYS 53 -12.238 20.809 -7.311 1252 1HZ LYS 53 1HZ LYS 53 -13.617 21.705 -9.729 1253 2HZ LYS 53 2HZ LYS 53 -12.038 22.016 -9.208 1254 3HZ LYS 53 3HZ LYS 53 -13.336 22.851 -8.515 1255 H ARG 54 H ARG 54 -15.677 16.651 -4.865 1256 HA ARG 54 HA ARG 54 -18.418 17.225 -4.255 1257 1HB ARG 54 2HB ARG 54 -17.480 14.915 -4.610 1258 2HB ARG 54 1HB ARG 54 -16.692 15.064 -3.043 1259 1HG ARG 54 2HG ARG 54 -18.557 14.080 -2.280 1260 2HG ARG 54 1HG ARG 54 -19.237 15.702 -2.386 1261 1HD ARG 54 2HD ARG 54 -20.784 14.849 -3.734 1262 2HD ARG 54 1HD ARG 54 -19.519 14.674 -4.946 1263 HE ARG 54 HE ARG 54 -19.546 12.412 -4.606 1264 1HH1 ARG 54 1HH1 ARG 54 -21.249 13.955 -1.967 1265 2HH1 ARG 54 2HH1 ARG 54 -21.826 12.462 -1.311 1266 1HH2 ARG 54 1HH2 ARG 54 -20.311 10.456 -3.736 1267 2HH2 ARG 54 2HH2 ARG 54 -21.296 10.478 -2.311 1268 H LEU 55 H LEU 55 -15.398 17.142 -2.427 1269 HA LEU 55 HA LEU 55 -16.478 17.660 0.102 1270 1HB LEU 55 2HB LEU 55 -13.785 18.220 -1.112 1271 2HB LEU 55 1HB LEU 55 -14.152 18.607 0.562 1272 HG LEU 55 HG LEU 55 -14.308 15.856 -0.665 1273 1HD1 LEU 55 1HD1 LEU 55 -12.294 17.107 1.186 1274 2HD1 LEU 55 2HD1 LEU 55 -12.017 16.511 -0.451 1275 3HD1 LEU 55 3HD1 LEU 55 -12.403 15.380 0.846 1276 1HD2 LEU 55 1HD2 LEU 55 -14.917 16.938 2.057 1277 2HD2 LEU 55 2HD2 LEU 55 -14.483 15.247 1.805 1278 3HD2 LEU 55 3HD2 LEU 55 -15.913 15.918 1.020 1279 H THR 56 H THR 56 -15.811 19.771 -2.582 1280 HA THR 56 HA THR 56 -16.016 22.208 -1.087 1281 HB THR 56 HB THR 56 -15.827 23.326 -3.156 1282 HG1 THR 56 1HG THR 56 -16.478 22.494 -5.064 1283 1HG2 THR 56 1HG2 THR 56 -14.116 21.137 -2.681 1284 2HG2 THR 56 2HG2 THR 56 -13.782 22.613 -3.586 1285 3HG2 THR 56 3HG2 THR 56 -14.428 21.197 -4.415 1286 H ALA 57 H ALA 57 -18.184 20.108 -2.857 1287 HA ALA 57 HA ALA 57 -20.424 21.858 -2.895 1288 1HB ALA 57 1HB ALA 57 -20.496 20.110 -4.460 1289 2HB ALA 57 2HB ALA 57 -21.685 19.649 -3.243 1290 3HB ALA 57 3HB ALA 57 -20.093 18.891 -3.250 1291 H LEU 58 H LEU 58 -19.190 19.446 -0.663 1292 HA LEU 58 HA LEU 58 -21.474 19.638 1.096 1293 1HB LEU 58 2HB LEU 58 -19.085 17.960 0.825 1294 2HB LEU 58 1HB LEU 58 -19.516 18.305 2.485 1295 HG LEU 58 HG LEU 58 -20.536 16.233 1.873 1296 1HD1 LEU 58 1HD1 LEU 58 -22.828 18.136 1.639 1297 2HD1 LEU 58 2HD1 LEU 58 -21.866 18.085 3.117 1298 3HD1 LEU 58 3HD1 LEU 58 -22.701 16.636 2.559 1299 1HD2 LEU 58 1HD2 LEU 58 -21.406 17.743 -0.563 1300 2HD2 LEU 58 2HD2 LEU 58 -22.291 16.318 -0.019 1301 3HD2 LEU 58 3HD2 LEU 58 -20.585 16.186 -0.448 1302 H ASN 59 H ASN 59 -18.338 21.091 0.753 1303 HA ASN 59 HA ASN 59 -17.100 22.511 2.031 1304 1HB ASN 59 2HB ASN 59 -18.372 24.466 2.857 1305 2HB ASN 59 1HB ASN 59 -18.809 24.018 1.212 1306 1HD2 ASN 59 1HD2 ASN 59 -19.868 24.355 4.458 1307 2HD2 ASN 59 2HD2 ASN 59 -21.532 23.978 4.186 1308 H LYS 60 H LYS 60 -16.905 20.403 3.433 1309 HA LYS 60 HA LYS 60 -16.650 21.212 6.098 1310 1HB LYS 60 2HB LYS 60 -19.095 21.037 6.162 1311 2HB LYS 60 1HB LYS 60 -19.000 19.376 5.594 1312 1HG LYS 60 2HG LYS 60 -18.188 18.592 7.612 1313 2HG LYS 60 1HG LYS 60 -17.609 20.183 8.112 1314 1HD LYS 60 2HD LYS 60 -19.816 20.940 8.554 1315 2HD LYS 60 1HD LYS 60 -20.529 19.533 7.762 1316 1HE LYS 60 2HE LYS 60 -18.699 18.998 10.022 1317 2HE LYS 60 1HE LYS 60 -20.246 19.744 10.421 1318 1HZ LYS 60 1HZ LYS 60 -20.227 17.414 8.640 1319 2HZ LYS 60 2HZ LYS 60 -21.407 17.916 9.741 1320 3HZ LYS 60 3HZ LYS 60 -20.000 17.164 10.298 1321 HA PRO 61 HA PRO 61 -15.070 20.895 7.437 1322 1HB PRO 61 2HB PRO 61 -12.303 20.346 6.627 1323 2HB PRO 61 1HB PRO 61 -12.996 20.454 8.246 1324 1HG PRO 61 2HG PRO 61 -12.209 18.108 7.203 1325 2HG PRO 61 1HG PRO 61 -13.620 18.232 8.272 1326 1HD PRO 61 2HD PRO 61 -13.520 18.015 5.284 1327 2HD PRO 61 1HD PRO 61 -14.606 17.209 6.436 1328 H PHE 62 H PHE 62 -12.868 22.471 6.752 1329 HA PHE 62 HA PHE 62 -13.823 23.645 4.246 1330 1HB PHE 62 2HB PHE 62 -11.951 24.856 6.289 1331 2HB PHE 62 1HB PHE 62 -12.753 25.690 4.963 1332 HD1 PHE 62 1HD PHE 62 -13.382 23.876 8.132 1333 HD2 PHE 62 2HD PHE 62 -14.872 26.627 5.247 1334 HE1 PHE 62 1HE PHE 62 -15.271 24.403 9.617 1335 HE2 PHE 62 2HE PHE 62 -16.764 27.160 6.727 1336 HZ PHE 62 HZ PHE 62 -16.966 26.047 8.914 1337 H LYS 63 H LYS 63 -10.629 23.436 5.827 1338 HA LYS 63 HA LYS 63 -9.342 23.317 3.230 1339 1HB LYS 63 2HB LYS 63 -8.169 23.296 6.017 1340 2HB LYS 63 1HB LYS 63 -7.242 23.406 4.527 1341 1HG LYS 63 2HG LYS 63 -9.368 25.423 5.004 1342 2HG LYS 63 1HG LYS 63 -7.871 25.543 5.930 1343 1HD LYS 63 2HD LYS 63 -6.726 25.264 3.612 1344 2HD LYS 63 1HD LYS 63 -8.296 25.758 2.976 1345 1HE LYS 63 2HE LYS 63 -8.016 27.892 3.616 1346 2HE LYS 63 1HE LYS 63 -7.305 27.435 5.164 1347 1HZ LYS 63 1HZ LYS 63 -5.487 28.326 4.191 1348 2HZ LYS 63 2HZ LYS 63 -6.006 27.996 2.616 1349 3HZ LYS 63 3HZ LYS 63 -5.327 26.765 3.556 1350 H TYR 64 H TYR 64 -9.096 21.434 2.211 1351 HA TYR 64 HA TYR 64 -8.268 19.109 3.773 1352 1HB TYR 64 2HB TYR 64 -9.912 17.742 2.282 1353 2HB TYR 64 1HB TYR 64 -10.524 18.568 3.711 1354 HD1 TYR 64 1HD TYR 64 -10.331 18.705 0.024 1355 HD2 TYR 64 2HD TYR 64 -12.114 20.334 3.526 1356 HE1 TYR 64 1HE TYR 64 -11.972 19.894 -1.370 1357 HE2 TYR 64 2HE TYR 64 -13.760 21.526 2.143 1358 HH TYR 64 HH TYR 64 -14.017 22.334 -0.126 1359 H VAL 65 H VAL 65 -6.989 17.650 2.702 1360 HA VAL 65 HA VAL 65 -6.189 18.418 -0.027 1361 HB VAL 65 HB VAL 65 -4.366 16.558 1.300 1362 1HG1 VAL 65 1HG1 VAL 65 -4.054 19.152 -0.161 1363 2HG1 VAL 65 2HG1 VAL 65 -3.746 17.520 -0.756 1364 3HG1 VAL 65 3HG1 VAL 65 -2.699 18.222 0.478 1365 1HG2 VAL 65 1HG2 VAL 65 -5.125 18.058 3.214 1366 2HG2 VAL 65 2HG2 VAL 65 -4.244 19.334 2.377 1367 3HG2 VAL 65 3HG2 VAL 65 -3.397 17.885 2.921 1368 H VAL 66 H VAL 66 -5.807 16.730 -1.552 1369 HA VAL 66 HA VAL 66 -6.904 14.118 -0.774 1370 HB VAL 66 HB VAL 66 -7.528 15.132 -3.511 1371 1HG1 VAL 66 1HG1 VAL 66 -9.333 13.531 -1.760 1372 2HG1 VAL 66 2HG1 VAL 66 -7.913 12.768 -2.473 1373 3HG1 VAL 66 3HG1 VAL 66 -9.137 13.496 -3.512 1374 1HG2 VAL 66 1HG2 VAL 66 -9.721 15.985 -2.666 1375 2HG2 VAL 66 2HG2 VAL 66 -8.334 16.973 -2.205 1376 3HG2 VAL 66 3HG2 VAL 66 -9.070 15.884 -1.029 1377 H THR 67 H THR 67 -5.088 12.881 -0.892 1378 HA THR 67 HA THR 67 -3.745 12.854 -3.516 1379 HB THR 67 HB THR 67 -2.154 13.862 -2.047 1380 HG1 THR 67 1HG THR 67 -1.408 12.151 -3.446 1381 1HG2 THR 67 1HG2 THR 67 -3.335 12.397 -0.036 1382 2HG2 THR 67 2HG2 THR 67 -1.886 13.396 0.099 1383 3HG2 THR 67 3HG2 THR 67 -1.741 11.667 -0.221 1384 H CYS 68 H CYS 68 -2.788 10.870 -4.159 1385 HA CYS 68 HA CYS 68 -3.506 8.478 -2.701 1386 1HB CYS 68 2HB CYS 68 -4.589 7.562 -4.870 1387 2HB CYS 68 1HB CYS 68 -5.547 8.579 -3.810 1388 HG CYS 68 HG CYS 68 -5.950 9.472 -6.152 1389 H ILE 69 H ILE 69 -2.554 6.583 -3.539 1390 HA ILE 69 HA ILE 69 -0.413 7.011 -5.506 1391 HB ILE 69 HB ILE 69 -0.213 5.577 -2.859 1392 1HG1 ILE 69 2HG1 ILE 69 1.885 7.322 -3.010 1393 2HG1 ILE 69 1HG1 ILE 69 0.624 8.200 -3.868 1394 1HG2 ILE 69 1HG2 ILE 69 1.147 4.182 -4.009 1395 2HG2 ILE 69 2HG2 ILE 69 2.304 5.487 -3.750 1396 3HG2 ILE 69 3HG2 ILE 69 1.450 5.357 -5.289 1397 1HD1 ILE 69 1HD1 ILE 69 0.462 7.120 -1.067 1398 2HD1 ILE 69 2HD1 ILE 69 -0.853 7.924 -1.925 1399 3HD1 ILE 69 3HD1 ILE 69 0.623 8.810 -1.542 1400 H ILE 70 H ILE 70 -0.312 5.475 -7.060 1401 HA ILE 70 HA ILE 70 -2.259 3.316 -6.944 1402 HB ILE 70 HB ILE 70 -1.749 2.954 -9.310 1403 1HG1 ILE 70 2HG1 ILE 70 -0.269 5.139 -10.123 1404 2HG1 ILE 70 1HG1 ILE 70 0.555 4.643 -8.649 1405 1HG2 ILE 70 1HG2 ILE 70 -2.060 5.896 -9.173 1406 2HG2 ILE 70 2HG2 ILE 70 -3.223 4.916 -8.280 1407 3HG2 ILE 70 3HG2 ILE 70 -3.030 4.688 -10.017 1408 1HD1 ILE 70 1HD1 ILE 70 0.072 2.292 -10.084 1409 2HD1 ILE 70 2HD1 ILE 70 1.613 3.110 -9.833 1410 3HD1 ILE 70 3HD1 ILE 70 0.640 3.479 -11.257 1411 H MET 71 H MET 71 -1.797 1.243 -6.618 1412 HA MET 71 HA MET 71 1.033 0.472 -6.442 1413 1HB MET 71 2HB MET 71 -1.279 -0.056 -4.790 1414 2HB MET 71 1HB MET 71 -0.554 -1.567 -5.319 1415 1HG MET 71 2HG MET 71 0.756 -1.299 -3.532 1416 2HG MET 71 1HG MET 71 1.647 -0.187 -4.570 1417 1HE MET 71 1HE MET 71 0.194 0.774 -0.569 1418 2HE MET 71 2HE MET 71 1.523 -0.190 -1.212 1419 3HE MET 71 3HE MET 71 -0.138 -0.758 -1.376 1420 H GLN 72 H GLN 72 1.413 -0.018 -8.586 1421 HA GLN 72 HA GLN 72 -0.291 -1.595 -10.197 1422 1HB GLN 72 2HB GLN 72 1.418 -0.090 -11.122 1423 2HB GLN 72 1HB GLN 72 2.682 -1.114 -10.456 1424 1HG GLN 72 2HG GLN 72 2.272 -2.822 -11.973 1425 2HG GLN 72 1HG GLN 72 0.657 -2.226 -12.353 1426 1HE2 GLN 72 1HE2 GLN 72 3.823 -2.381 -13.365 1427 2HE2 GLN 72 2HE2 GLN 72 3.782 -1.146 -14.573 1428 H LYS 73 H LYS 73 -0.730 -3.675 -10.013 1429 HA LYS 73 HA LYS 73 -0.576 -5.892 -9.552 1430 1HB LYS 73 2HB LYS 73 2.416 -5.530 -9.747 1431 2HB LYS 73 1HB LYS 73 1.496 -7.003 -10.022 1432 1HG LYS 73 2HG LYS 73 0.834 -4.686 -11.734 1433 2HG LYS 73 1HG LYS 73 2.399 -5.459 -11.997 1434 1HD LYS 73 2HD LYS 73 1.237 -6.852 -13.326 1435 2HD LYS 73 1HD LYS 73 0.759 -7.621 -11.811 1436 1HE LYS 73 2HE LYS 73 -1.359 -6.861 -11.942 1437 2HE LYS 73 1HE LYS 73 -0.869 -5.307 -12.616 1438 1HZ LYS 73 1HZ LYS 73 -0.621 -7.688 -14.303 1439 2HZ LYS 73 2HZ LYS 73 -0.964 -6.090 -14.738 1440 3HZ LYS 73 3HZ LYS 73 -2.169 -7.054 -14.045 1441 H ASN 74 H ASN 74 1.165 -7.438 -8.110 1442 HA ASN 74 HA ASN 74 1.001 -6.212 -5.439 1443 1HB ASN 74 2HB ASN 74 0.938 -8.556 -4.591 1444 2HB ASN 74 1HB ASN 74 -0.424 -8.155 -5.634 1445 1HD2 ASN 74 1HD2 ASN 74 -0.948 -9.768 -6.900 1446 2HD2 ASN 74 2HD2 ASN 74 0.142 -10.875 -7.654 1447 H GLY 75 H GLY 75 3.092 -7.854 -7.703 1448 1HA GLY 75 2HA GLY 75 5.226 -8.316 -5.849 1449 2HA GLY 75 1HA GLY 75 5.321 -8.438 -7.599 1450 H ALA 76 H ALA 76 4.260 -5.621 -7.820 1451 HA ALA 76 HA ALA 76 6.752 -4.316 -8.009 1452 1HB ALA 76 1HB ALA 76 4.418 -3.865 -9.164 1453 2HB ALA 76 2HB ALA 76 5.613 -2.585 -8.964 1454 3HB ALA 76 3HB ALA 76 4.259 -2.709 -7.842 1455 H GLY 77 H GLY 77 7.778 -2.852 -6.715 1456 1HA GLY 77 2HA GLY 77 6.861 -2.752 -3.939 1457 2HA GLY 77 1HA GLY 77 8.467 -2.334 -4.516 1458 H LEU 78 H LEU 78 6.025 -1.009 -3.002 1459 HA LEU 78 HA LEU 78 6.504 1.625 -4.193 1460 1HB LEU 78 2HB LEU 78 4.398 0.963 -5.130 1461 2HB LEU 78 1HB LEU 78 3.809 0.421 -3.573 1462 HG LEU 78 HG LEU 78 2.893 2.623 -4.501 1463 1HD1 LEU 78 1HD1 LEU 78 4.008 3.103 -1.797 1464 2HD1 LEU 78 2HD1 LEU 78 2.993 1.680 -2.034 1465 3HD1 LEU 78 3HD1 LEU 78 2.360 3.286 -2.397 1466 1HD2 LEU 78 1HD2 LEU 78 5.405 3.351 -4.927 1467 2HD2 LEU 78 2HD2 LEU 78 5.244 3.961 -3.280 1468 3HD2 LEU 78 3HD2 LEU 78 4.145 4.523 -4.540 1469 H HIS 79 H HIS 79 7.037 3.093 -2.708 1470 HA HIS 79 HA HIS 79 5.961 2.933 -0.018 1471 1HB HIS 79 2HB HIS 79 8.713 2.175 -0.699 1472 2HB HIS 79 1HB HIS 79 8.606 3.367 0.592 1473 HD1 HIS 79 1HD HIS 79 6.402 2.489 2.316 1474 HD2 HIS 79 2HD HIS 79 8.895 -0.256 0.441 1475 HE1 HIS 79 1HE HIS 79 6.205 0.374 3.662 1476 HE2 HIS 79 2HE HIS 79 7.789 -1.247 2.558 1477 H THR 80 H THR 80 5.441 4.896 0.640 1478 HA THR 80 HA THR 80 6.758 7.212 -0.617 1479 HB THR 80 HB THR 80 4.033 7.115 0.691 1480 HG1 THR 80 1HG THR 80 3.940 5.861 -1.139 1481 1HG2 THR 80 1HG2 THR 80 3.602 9.219 -0.129 1482 2HG2 THR 80 2HG2 THR 80 4.890 9.132 -1.329 1483 3HG2 THR 80 3HG2 THR 80 5.285 9.355 0.374 1484 H ALA 81 H ALA 81 7.225 9.067 0.718 1485 HA ALA 81 HA ALA 81 7.111 8.591 3.616 1486 1HB ALA 81 1HB ALA 81 9.297 7.893 3.341 1487 2HB ALA 81 2HB ALA 81 9.506 9.611 3.660 1488 3HB ALA 81 3HB ALA 81 9.597 9.006 2.008 1489 H ALA 82 H ALA 82 6.852 10.457 4.828 1490 HA ALA 82 HA ALA 82 7.261 13.023 3.610 1491 1HB ALA 82 1HB ALA 82 4.471 12.077 4.127 1492 2HB ALA 82 2HB ALA 82 5.194 12.472 2.567 1493 3HB ALA 82 3HB ALA 82 4.924 13.742 3.762 1494 H SER 83 H SER 83 8.014 14.280 5.075 1495 HA SER 83 HA SER 83 7.036 14.040 7.841 1496 1HB SER 83 2HB SER 83 9.520 13.520 7.326 1497 2HB SER 83 1HB SER 83 9.689 15.254 7.062 1498 HG SER 83 HG SER 83 8.656 14.086 9.434 1499 H CYS 84 H CYS 84 5.723 15.683 8.321 1500 HA CYS 84 HA CYS 84 5.984 18.174 6.813 1501 1HB CYS 84 2HB CYS 84 3.719 17.409 8.615 1502 2HB CYS 84 1HB CYS 84 3.730 18.647 7.372 1503 HG CYS 84 HG CYS 84 2.638 16.859 6.067 1504 H TRP 85 H TRP 85 5.730 20.209 7.879 1505 HA TRP 85 HA TRP 85 7.325 20.367 10.255 1506 1HB TRP 85 2HB TRP 85 6.854 22.060 8.168 1507 2HB TRP 85 1HB TRP 85 5.840 22.777 9.417 1508 HD1 TRP 85 HD TRP 85 9.407 21.260 9.608 1509 HE1 TRP 85 1HE TRP 85 10.934 22.982 10.743 1510 HE3 TRP 85 3HE TRP 85 6.028 25.041 10.257 1511 HZ2 TRP 85 2HZ TRP 85 10.742 25.604 11.782 1512 HZ3 TRP 85 3HZ TRP 85 6.781 27.124 11.331 1513 HH2 TRP 85 HH TRP 85 9.089 27.397 12.076 1514 H TRP 86 H TRP 86 6.050 22.539 11.604 1515 HA TRP 86 HA TRP 86 4.075 21.019 13.088 1516 1HB TRP 86 2HB TRP 86 5.016 23.825 13.671 1517 2HB TRP 86 1HB TRP 86 4.281 22.680 14.788 1518 HD1 TRP 86 HD TRP 86 7.418 24.155 14.494 1519 HE1 TRP 86 1HE TRP 86 9.368 22.607 15.146 1520 HE3 TRP 86 3HE TRP 86 5.010 19.654 14.211 1521 HZ2 TRP 86 2HZ TRP 86 9.825 19.843 15.493 1522 HZ3 TRP 86 3HZ TRP 86 6.276 17.606 14.718 1523 HH2 TRP 86 HH TRP 86 8.633 17.700 15.345 1524 H ASP 87 H ASP 87 1.939 21.413 13.206 1525 HA ASP 87 HA ASP 87 0.587 23.766 12.628 1526 1HB ASP 87 2HB ASP 87 1.571 22.817 10.268 1527 2HB ASP 87 1HB ASP 87 -0.004 22.037 10.305 1528 H SER 88 H SER 88 -0.567 23.013 14.418 1529 HA SER 88 HA SER 88 -1.819 20.478 14.536 1530 1HB SER 88 2HB SER 88 -1.311 22.369 16.379 1531 2HB SER 88 1HB SER 88 -3.010 22.725 16.069 1532 HG SER 88 HG SER 88 -3.341 20.394 16.416 1533 H THR 89 H THR 89 -2.801 23.567 13.236 1534 HA THR 89 HA THR 89 -5.574 23.078 13.071 1535 HB THR 89 HB THR 89 -4.584 25.317 12.833 1536 HG1 THR 89 1HG THR 89 -6.604 25.116 11.961 1537 1HG2 THR 89 1HG2 THR 89 -3.364 26.056 11.021 1538 2HG2 THR 89 2HG2 THR 89 -3.818 24.675 10.022 1539 3HG2 THR 89 3HG2 THR 89 -2.667 24.467 11.341 1540 H THR 90 H THR 90 -2.956 22.587 10.727 1541 HA THR 90 HA THR 90 -4.785 21.271 8.892 1542 HB THR 90 HB THR 90 -2.556 21.108 7.539 1543 HG1 THR 90 1HG THR 90 -0.895 22.036 8.389 1544 1HG2 THR 90 1HG2 THR 90 -4.536 23.012 7.600 1545 2HG2 THR 90 2HG2 THR 90 -3.257 22.874 6.392 1546 3HG2 THR 90 3HG2 THR 90 -3.055 23.954 7.772 1547 H ASP 91 H ASP 91 -5.038 19.588 10.693 1548 HA ASP 91 HA ASP 91 -3.108 17.441 10.165 1549 1HB ASP 91 2HB ASP 91 -2.710 18.567 12.407 1550 2HB ASP 91 1HB ASP 91 -4.271 17.922 12.906 1551 H GLY 92 H GLY 92 -4.082 15.764 9.334 1552 1HA GLY 92 2HA GLY 92 -6.539 14.730 10.471 1553 2HA GLY 92 1HA GLY 92 -6.683 15.306 8.814 1554 H SER 93 H SER 93 -5.007 14.441 7.294 1555 HA SER 93 HA SER 93 -4.330 12.617 6.106 1556 1HB SER 93 2HB SER 93 -2.470 13.176 7.791 1557 2HB SER 93 1HB SER 93 -2.993 11.727 8.648 1558 HG SER 93 HG SER 93 -1.262 11.591 6.927 1559 H ARG 94 H ARG 94 -6.090 11.381 5.615 1560 HA ARG 94 HA ARG 94 -6.485 8.992 7.295 1561 1HB ARG 94 2HB ARG 94 -8.730 10.298 5.760 1562 2HB ARG 94 1HB ARG 94 -8.839 9.044 6.986 1563 1HG ARG 94 2HG ARG 94 -7.747 11.727 7.705 1564 2HG ARG 94 1HG ARG 94 -9.490 11.484 7.570 1565 1HD ARG 94 2HD ARG 94 -9.557 10.017 9.349 1566 2HD ARG 94 1HD ARG 94 -7.861 9.570 9.180 1567 HE ARG 94 HE ARG 94 -7.832 12.218 9.880 1568 1HH1 ARG 94 1HH1 ARG 94 -9.132 9.295 11.297 1569 2HH1 ARG 94 2HH1 ARG 94 -8.970 9.868 12.922 1570 1HH2 ARG 94 1HH2 ARG 94 -7.622 12.963 12.018 1571 2HH2 ARG 94 2HH2 ARG 94 -8.115 11.946 13.331 1572 H THR 95 H THR 95 -5.537 7.419 6.083 1573 HA THR 95 HA THR 95 -5.838 7.548 3.183 1574 HB THR 95 HB THR 95 -3.575 7.332 4.129 1575 HG1 THR 95 1HG THR 95 -3.146 6.349 2.347 1576 1HG2 THR 95 1HG2 THR 95 -3.337 5.964 5.862 1577 2HG2 THR 95 2HG2 THR 95 -3.220 4.700 4.639 1578 3HG2 THR 95 3HG2 THR 95 -4.759 5.014 5.438 1579 H VAL 96 H VAL 96 -6.449 5.821 1.909 1580 HA VAL 96 HA VAL 96 -7.746 3.552 3.231 1581 HB VAL 96 HB VAL 96 -9.053 5.387 1.220 1582 1HG1 VAL 96 1HG1 VAL 96 -9.446 3.009 0.590 1583 2HG1 VAL 96 2HG1 VAL 96 -10.916 3.856 1.066 1584 3HG1 VAL 96 3HG1 VAL 96 -10.138 2.743 2.188 1585 1HG2 VAL 96 1HG2 VAL 96 -9.523 4.695 4.065 1586 2HG2 VAL 96 2HG2 VAL 96 -10.894 5.138 3.048 1587 3HG2 VAL 96 3HG2 VAL 96 -9.554 6.264 3.262 1588 H ARG 97 H ARG 97 -7.723 1.657 2.004 1589 HA ARG 97 HA ARG 97 -6.156 1.799 -0.487 1590 1HB ARG 97 2HB ARG 97 -6.055 -0.161 1.789 1591 2HB ARG 97 1HB ARG 97 -5.490 -0.609 0.185 1592 1HG ARG 97 2HG ARG 97 -4.405 1.934 1.093 1593 2HG ARG 97 1HG ARG 97 -4.000 0.590 2.161 1594 1HD ARG 97 2HD ARG 97 -3.669 0.340 -0.805 1595 2HD ARG 97 1HD ARG 97 -2.437 1.141 0.170 1596 HE ARG 97 HE ARG 97 -2.933 -1.663 -0.006 1597 1HH1 ARG 97 1HH1 ARG 97 -1.789 0.848 2.146 1598 2HH1 ARG 97 2HH1 ARG 97 -0.828 -0.237 3.092 1599 1HH2 ARG 97 1HH2 ARG 97 -1.667 -3.079 1.244 1600 2HH2 ARG 97 2HH2 ARG 97 -0.757 -2.462 2.582 1601 H TRP 98 H TRP 98 -7.328 1.300 -2.199 1602 HA TRP 98 HA TRP 98 -9.657 -0.464 -1.899 1603 1HB TRP 98 2HB TRP 98 -8.785 1.424 -4.094 1604 2HB TRP 98 1HB TRP 98 -10.065 0.250 -4.328 1605 HD1 TRP 98 HD TRP 98 -12.445 0.998 -3.693 1606 HE1 TRP 98 1HE TRP 98 -13.451 3.066 -2.526 1607 HE3 TRP 98 3HE TRP 98 -8.116 3.145 -2.071 1608 HZ2 TRP 98 2HZ TRP 98 -12.483 5.307 -1.056 1609 HZ3 TRP 98 3HZ TRP 98 -8.233 5.238 -0.799 1610 HH2 TRP 98 HH TRP 98 -10.373 6.293 -0.303 1611 H GLU 99 H GLU 99 -9.889 -2.332 -3.095 1612 HA GLU 99 HA GLU 99 -7.718 -3.163 -4.851 1613 1HB GLU 99 2HB GLU 99 -8.646 -5.026 -2.677 1614 2HB GLU 99 1HB GLU 99 -7.235 -5.172 -3.711 1615 1HG GLU 99 2HG GLU 99 -6.197 -4.497 -1.829 1616 2HG GLU 99 1HG GLU 99 -6.593 -2.911 -2.485 1617 H ASN 100 H ASN 100 -8.335 -4.748 -6.363 1618 HA ASN 100 HA ASN 100 -11.207 -5.416 -6.356 1619 1HB ASN 100 2HB ASN 100 -10.931 -5.328 -8.944 1620 2HB ASN 100 1HB ASN 100 -11.147 -3.830 -8.048 1621 1HD2 ASN 100 1HD2 ASN 100 -10.205 -2.847 -9.942 1622 2HD2 ASN 100 2HD2 ASN 100 -8.486 -2.794 -10.109 1623 H LYS 101 H LYS 101 -8.219 -6.297 -8.106 1624 HA LYS 101 HA LYS 101 -8.839 -9.115 -7.584 1625 1HB LYS 101 2HB LYS 101 -7.984 -9.592 -9.940 1626 2HB LYS 101 1HB LYS 101 -9.597 -8.910 -9.799 1627 1HG LYS 101 2HG LYS 101 -8.901 -7.483 -11.373 1628 2HG LYS 101 1HG LYS 101 -8.087 -6.663 -10.046 1629 1HD LYS 101 2HD LYS 101 -6.510 -6.949 -11.813 1630 2HD LYS 101 1HD LYS 101 -6.071 -8.048 -10.511 1631 1HE LYS 101 2HE LYS 101 -5.906 -9.478 -12.246 1632 2HE LYS 101 1HE LYS 101 -7.609 -9.698 -11.880 1633 1HZ LYS 101 1HZ LYS 101 -6.727 -9.163 -14.309 1634 2HZ LYS 101 2HZ LYS 101 -6.938 -7.578 -13.760 1635 3HZ LYS 101 3HZ LYS 101 -8.244 -8.652 -13.764 1636 H SER 102 H SER 102 -6.412 -6.799 -8.710 1637 HA SER 102 HA SER 102 -4.388 -8.188 -7.159 1638 1HB SER 102 2HB SER 102 -2.991 -8.785 -8.912 1639 2HB SER 102 1HB SER 102 -4.570 -9.066 -9.638 1640 HG SER 102 HG SER 102 -2.699 -7.062 -10.152 1641 H MET 103 H MET 103 -5.040 -5.572 -9.468 1642 HA MET 103 HA MET 103 -2.892 -3.927 -8.589 1643 1HB MET 103 2HB MET 103 -4.392 -3.889 -10.787 1644 2HB MET 103 1HB MET 103 -5.315 -2.728 -9.844 1645 1HG MET 103 2HG MET 103 -3.911 -1.182 -10.580 1646 2HG MET 103 1HG MET 103 -2.705 -1.897 -9.514 1647 1HE MET 103 1HE MET 103 -2.313 -0.130 -11.768 1648 2HE MET 103 2HE MET 103 -1.835 -0.779 -13.337 1649 3HE MET 103 3HE MET 103 -0.699 -0.804 -11.988 1650 H TYR 104 H TYR 104 -2.781 -2.514 -6.942 1651 HA TYR 104 HA TYR 104 -5.233 -2.101 -5.357 1652 1HB TYR 104 2HB TYR 104 -2.383 -1.785 -4.399 1653 2HB TYR 104 1HB TYR 104 -3.844 -1.828 -3.419 1654 HD1 TYR 104 1HD TYR 104 -1.099 -3.623 -3.827 1655 HD2 TYR 104 2HD TYR 104 -5.281 -4.140 -4.409 1656 HE1 TYR 104 1HE TYR 104 -0.832 -6.051 -3.546 1657 HE2 TYR 104 2HE TYR 104 -5.026 -6.569 -4.130 1658 HH TYR 104 HH TYR 104 -2.473 -8.005 -2.769 1659 H CYS 105 H CYS 105 -5.736 -0.044 -4.587 1660 HA CYS 105 HA CYS 105 -4.139 2.190 -5.618 1661 1HB CYS 105 2HB CYS 105 -7.150 2.028 -5.855 1662 2HB CYS 105 1HB CYS 105 -6.124 3.347 -6.408 1663 HG CYS 105 HG CYS 105 -5.580 0.647 -7.753 1664 H ILE 106 H ILE 106 -3.516 3.263 -3.866 1665 HA ILE 106 HA ILE 106 -5.314 3.408 -1.558 1666 HB ILE 106 HB ILE 106 -3.147 2.635 -0.953 1667 1HG1 ILE 106 2HG1 ILE 106 -2.699 5.451 -0.135 1668 2HG1 ILE 106 1HG1 ILE 106 -4.260 4.757 0.296 1669 1HG2 ILE 106 1HG2 ILE 106 -2.095 4.960 -2.527 1670 2HG2 ILE 106 2HG2 ILE 106 -1.825 3.241 -2.802 1671 3HG2 ILE 106 3HG2 ILE 106 -1.107 4.034 -1.399 1672 1HD1 ILE 106 1HD1 ILE 106 -1.960 4.544 1.747 1673 2HD1 ILE 106 2HD1 ILE 106 -2.012 3.006 0.888 1674 3HD1 ILE 106 3HD1 ILE 106 -3.371 3.497 1.899 1675 H CYS 107 H CYS 107 -6.161 5.272 -0.819 1676 HA CYS 107 HA CYS 107 -5.300 7.805 -2.002 1677 1HB CYS 107 2HB CYS 107 -7.249 6.984 -3.314 1678 2HB CYS 107 1HB CYS 107 -8.199 6.962 -1.834 1679 HG CYS 107 HG CYS 107 -8.344 9.217 -3.442 1680 H THR 108 H THR 108 -4.974 9.256 -0.463 1681 HA THR 108 HA THR 108 -6.361 8.886 2.095 1682 HB THR 108 HB THR 108 -3.804 8.567 1.988 1683 HG1 THR 108 1HG THR 108 -3.643 9.346 4.046 1684 1HG2 THR 108 1HG2 THR 108 -3.908 11.578 1.923 1685 2HG2 THR 108 2HG2 THR 108 -3.130 10.515 0.751 1686 3HG2 THR 108 3HG2 THR 108 -2.501 10.624 2.394 1687 H VAL 109 H VAL 109 -7.551 10.463 2.891 1688 HA VAL 109 HA VAL 109 -7.523 13.042 1.476 1689 HB VAL 109 HB VAL 109 -9.722 12.651 3.392 1690 1HG1 VAL 109 1HG1 VAL 109 -11.008 13.391 1.316 1691 2HG1 VAL 109 2HG1 VAL 109 -9.428 13.589 0.557 1692 3HG1 VAL 109 3HG1 VAL 109 -9.837 14.521 1.997 1693 1HG2 VAL 109 1HG2 VAL 109 -10.945 11.252 1.532 1694 2HG2 VAL 109 2HG2 VAL 109 -10.020 10.464 2.810 1695 3HG2 VAL 109 3HG2 VAL 109 -9.310 10.675 1.210 1696 H PHE 110 H PHE 110 -6.679 14.716 2.510 1697 HA PHE 110 HA PHE 110 -6.040 14.395 5.338 1698 1HB PHE 110 2HB PHE 110 -4.905 15.928 3.083 1699 2HB PHE 110 1HB PHE 110 -4.836 16.716 4.655 1700 HD1 PHE 110 1HD PHE 110 -3.119 16.216 6.118 1701 HD2 PHE 110 2HD PHE 110 -4.001 13.518 2.947 1702 HE1 PHE 110 1HE PHE 110 -1.119 14.900 6.687 1703 HE2 PHE 110 2HE PHE 110 -2.003 12.197 3.511 1704 HZ PHE 110 HZ PHE 110 -0.560 12.886 5.383 1705 H GLY 111 H GLY 111 -7.747 14.939 6.523 1706 1HA GLY 111 2HA GLY 111 -9.410 17.217 5.855 1707 2HA GLY 111 1HA GLY 111 -9.615 16.142 7.234 1708 H LEU 112 H LEU 112 -8.173 19.055 6.059 1709 HA LEU 112 HA LEU 112 -6.752 19.500 8.570 1710 1HB LEU 112 2HB LEU 112 -6.820 20.967 5.940 1711 2HB LEU 112 1HB LEU 112 -5.996 21.600 7.347 1712 HG LEU 112 HG LEU 112 -4.235 20.157 7.135 1713 1HD1 LEU 112 1HD1 LEU 112 -4.250 17.922 6.369 1714 2HD1 LEU 112 2HD1 LEU 112 -5.848 18.112 5.655 1715 3HD1 LEU 112 3HD1 LEU 112 -5.664 18.113 7.407 1716 1HD2 LEU 112 1HD2 LEU 112 -4.129 21.320 5.112 1717 2HD2 LEU 112 2HD2 LEU 112 -5.419 20.353 4.397 1718 3HD2 LEU 112 3HD2 LEU 112 -3.838 19.631 4.697 1719 H ALA 113 H ALA 113 -7.500 20.752 10.156 1720 HA ALA 113 HA ALA 113 -10.123 21.892 9.968 1721 1HB ALA 113 1HB ALA 113 -8.877 20.820 12.013 1722 2HB ALA 113 2HB ALA 113 -10.045 22.120 12.248 1723 3HB ALA 113 3HB ALA 113 -8.316 22.473 12.265 1724 H ILE 114 H ILE 114 -9.590 23.379 8.181 1725 HA ILE 114 HA ILE 114 -9.256 25.481 7.372 1726 HB ILE 114 HB ILE 114 -9.094 26.383 10.245 1727 1HG1 ILE 114 2HG1 ILE 114 -11.571 26.046 8.538 1728 2HG1 ILE 114 1HG1 ILE 114 -11.100 24.965 9.846 1729 1HG2 ILE 114 1HG2 ILE 114 -9.569 27.724 7.623 1730 2HG2 ILE 114 2HG2 ILE 114 -8.542 28.217 8.969 1731 3HG2 ILE 114 3HG2 ILE 114 -10.293 28.390 9.086 1732 1HD1 ILE 114 1HD1 ILE 114 -11.378 27.857 10.447 1733 2HD1 ILE 114 2HD1 ILE 114 -11.686 26.452 11.467 1734 3HD1 ILE 114 3HD1 ILE 114 -12.839 26.899 10.210 Start of MODEL 2 1 1H MET 1 1HT MET 1 31.287 -0.828 -16.415 2 HA MET 1 HA MET 1 31.676 1.993 -17.051 3 1HB MET 1 2HB MET 1 30.034 -0.252 -18.238 4 2HB MET 1 1HB MET 1 29.862 1.438 -18.689 5 1HG MET 1 2HG MET 1 32.313 -0.270 -19.046 6 2HG MET 1 1HG MET 1 31.208 0.267 -20.310 7 1HE MET 1 1HE MET 1 32.698 1.125 -21.779 8 2HE MET 1 2HE MET 1 34.306 1.203 -21.057 9 3HE MET 1 3HE MET 1 33.547 2.667 -21.680 10 H GLU 2 H GLU 2 29.020 -0.317 -16.497 11 HA GLU 2 HA GLU 2 27.324 1.637 -15.349 12 1HB GLU 2 2HB GLU 2 26.482 -0.397 -16.458 13 2HB GLU 2 1HB GLU 2 27.163 -1.378 -15.167 14 1HG GLU 2 2HG GLU 2 25.621 0.393 -13.779 15 2HG GLU 2 1HG GLU 2 24.686 0.163 -15.255 16 H GLY 3 H GLY 3 26.791 2.070 -13.229 17 1HA GLY 3 2HA GLY 3 27.576 0.572 -10.994 18 2HA GLY 3 1HA GLY 3 28.813 1.783 -11.293 19 H VAL 4 H VAL 4 28.570 3.617 -10.223 20 HA VAL 4 HA VAL 4 25.937 4.269 -9.117 21 HB VAL 4 HB VAL 4 28.597 5.527 -8.441 22 1HG1 VAL 4 1HG1 VAL 4 27.526 6.492 -6.579 23 2HG1 VAL 4 2HG1 VAL 4 26.092 5.486 -6.781 24 3HG1 VAL 4 3HG1 VAL 4 26.440 6.768 -7.940 25 1HG2 VAL 4 1HG2 VAL 4 29.040 3.477 -7.600 26 2HG2 VAL 4 2HG2 VAL 4 27.338 3.014 -7.543 27 3HG2 VAL 4 3HG2 VAL 4 28.017 4.041 -6.279 28 H ASP 5 H ASP 5 24.749 5.889 -9.899 29 HA ASP 5 HA ASP 5 26.085 7.950 -11.524 30 1HB ASP 5 2HB ASP 5 24.600 6.160 -12.730 31 2HB ASP 5 1HB ASP 5 23.263 7.106 -12.085 32 HA PRO 6 HA PRO 6 23.907 10.007 -7.981 33 1HB PRO 6 2HB PRO 6 25.610 12.161 -7.979 34 2HB PRO 6 1HB PRO 6 25.877 10.689 -7.039 35 1HG PRO 6 2HG PRO 6 27.038 11.489 -9.678 36 2HG PRO 6 1HG PRO 6 27.831 10.717 -8.293 37 1HD PRO 6 2HD PRO 6 27.090 9.307 -10.452 38 2HD PRO 6 1HD PRO 6 26.985 8.624 -8.815 39 H ALA 7 H ALA 7 22.175 11.226 -8.392 40 HA ALA 7 HA ALA 7 20.750 12.713 -9.379 41 1HB ALA 7 1HB ALA 7 22.908 14.185 -10.773 42 2HB ALA 7 2HB ALA 7 22.975 14.141 -9.011 43 3HB ALA 7 3HB ALA 7 21.550 14.790 -9.825 44 H VAL 8 H VAL 8 19.874 11.160 -10.772 45 HA VAL 8 HA VAL 8 21.014 11.055 -13.479 46 HB VAL 8 HB VAL 8 18.709 9.302 -13.016 47 1HG1 VAL 8 1HG1 VAL 8 20.487 9.342 -14.877 48 2HG1 VAL 8 2HG1 VAL 8 19.900 7.791 -14.273 49 3HG1 VAL 8 3HG1 VAL 8 21.462 8.413 -13.738 50 1HG2 VAL 8 1HG2 VAL 8 19.834 7.667 -11.603 51 2HG2 VAL 8 2HG2 VAL 8 19.553 9.185 -10.750 52 3HG2 VAL 8 3HG2 VAL 8 21.165 8.796 -11.351 53 H GLU 9 H GLU 9 17.850 11.081 -11.908 54 HA GLU 9 HA GLU 9 16.787 12.641 -14.161 55 1HB GLU 9 2HB GLU 9 14.981 11.189 -12.283 56 2HB GLU 9 1HB GLU 9 14.796 11.509 -13.993 57 1HG GLU 9 2HG GLU 9 16.877 9.825 -14.083 58 2HG GLU 9 1HG GLU 9 16.070 9.244 -12.628 59 H GLU 10 H GLU 10 17.795 14.469 -12.883 60 HA GLU 10 HA GLU 10 16.910 15.311 -10.391 61 1HB GLU 10 2HB GLU 10 18.673 16.275 -12.186 62 2HB GLU 10 1HB GLU 10 17.363 17.422 -12.420 63 1HG GLU 10 2HG GLU 10 17.544 17.336 -9.706 64 2HG GLU 10 1HG GLU 10 19.225 17.116 -10.190 65 H ALA 11 H ALA 11 15.023 16.003 -9.636 66 HA ALA 11 HA ALA 11 12.971 16.855 -11.570 67 1HB ALA 11 1HB ALA 11 11.349 15.824 -10.330 68 2HB ALA 11 2HB ALA 11 12.243 15.986 -8.820 69 3HB ALA 11 3HB ALA 11 12.717 14.763 -9.997 70 H ALA 12 H ALA 12 11.395 18.438 -10.784 71 HA ALA 12 HA ALA 12 10.860 20.509 -10.027 72 1HB ALA 12 1HB ALA 12 10.622 19.605 -7.884 73 2HB ALA 12 2HB ALA 12 11.637 21.031 -7.658 74 3HB ALA 12 3HB ALA 12 12.364 19.424 -7.671 75 H PHE 13 H PHE 13 11.624 22.659 -9.673 76 HA PHE 13 HA PHE 13 14.498 23.094 -9.944 77 1HB PHE 13 2HB PHE 13 13.558 23.006 -12.247 78 2HB PHE 13 1HB PHE 13 12.497 24.348 -11.833 79 HD1 PHE 13 1HD PHE 13 13.187 26.503 -12.263 80 HD2 PHE 13 2HD PHE 13 16.106 23.430 -11.883 81 HE1 PHE 13 1HE PHE 13 14.945 28.098 -12.913 82 HE2 PHE 13 2HE PHE 13 17.869 25.018 -12.531 83 HZ PHE 13 HZ PHE 13 17.290 27.356 -13.047 84 H VAL 14 H VAL 14 12.146 23.623 -7.994 85 HA VAL 14 HA VAL 14 12.751 26.478 -7.595 86 HB VAL 14 HB VAL 14 10.162 25.146 -6.803 87 1HG1 VAL 14 1HG1 VAL 14 10.542 27.032 -5.443 88 2HG1 VAL 14 2HG1 VAL 14 9.435 27.577 -6.702 89 3HG1 VAL 14 3HG1 VAL 14 11.148 27.986 -6.796 90 1HG2 VAL 14 1HG2 VAL 14 9.185 26.477 -8.700 91 2HG2 VAL 14 2HG2 VAL 14 10.189 25.110 -9.181 92 3HG2 VAL 14 3HG2 VAL 14 10.834 26.749 -9.263 93 H ALA 15 H ALA 15 12.734 27.200 -5.372 94 HA ALA 15 HA ALA 15 13.418 27.059 -3.205 95 1HB ALA 15 1HB ALA 15 12.442 25.267 -1.839 96 2HB ALA 15 2HB ALA 15 11.920 24.442 -3.308 97 3HB ALA 15 3HB ALA 15 11.245 26.018 -2.894 98 H ASP 16 H ASP 16 15.465 26.581 -4.760 99 HA ASP 16 HA ASP 16 16.726 24.102 -4.697 100 1HB ASP 16 2HB ASP 16 18.823 25.359 -5.084 101 2HB ASP 16 1HB ASP 16 17.510 25.903 -6.125 102 H ASP 17 H ASP 17 16.468 26.563 -2.241 103 HA ASP 17 HA ASP 17 18.578 25.882 -0.567 104 1HB ASP 17 2HB ASP 17 15.936 27.196 -0.193 105 2HB ASP 17 1HB ASP 17 16.774 26.645 1.254 106 H VAL 18 H VAL 18 15.244 24.640 -0.546 107 HA VAL 18 HA VAL 18 15.841 22.698 1.503 108 HB VAL 18 HB VAL 18 13.382 22.805 -0.241 109 1HG1 VAL 18 1HG1 VAL 18 13.783 21.725 2.546 110 2HG1 VAL 18 2HG1 VAL 18 13.757 20.747 1.078 111 3HG1 VAL 18 3HG1 VAL 18 12.314 21.630 1.575 112 1HG2 VAL 18 1HG2 VAL 18 12.346 24.187 1.461 113 2HG2 VAL 18 2HG2 VAL 18 13.780 24.990 0.821 114 3HG2 VAL 18 3HG2 VAL 18 13.842 24.197 2.396 115 H SER 19 H SER 19 15.617 22.775 -1.982 116 HA SER 19 HA SER 19 15.377 20.049 -2.514 117 1HB SER 19 2HB SER 19 15.895 20.562 -4.725 118 2HB SER 19 1HB SER 19 15.311 22.110 -4.114 119 HG SER 19 HG SER 19 17.576 21.705 -5.272 120 H ASN 20 H ASN 20 18.280 22.010 -1.968 121 HA ASN 20 HA ASN 20 20.100 19.893 -2.508 122 1HB ASN 20 2HB ASN 20 21.815 21.359 -1.649 123 2HB ASN 20 1HB ASN 20 20.698 22.307 -2.625 124 1HD2 ASN 20 1HD2 ASN 20 19.842 24.070 -1.758 125 2HD2 ASN 20 2HD2 ASN 20 19.916 24.503 -0.087 126 H ILE 21 H ILE 21 18.750 21.210 0.490 127 HA ILE 21 HA ILE 21 20.228 19.763 2.354 128 HB ILE 21 HB ILE 21 17.313 20.574 2.515 129 1HG1 ILE 21 2HG1 ILE 21 19.677 22.044 3.665 130 2HG1 ILE 21 1HG1 ILE 21 19.044 22.388 2.058 131 1HG2 ILE 21 1HG2 ILE 21 17.627 20.538 4.947 132 2HG2 ILE 21 2HG2 ILE 21 19.240 19.866 4.719 133 3HG2 ILE 21 3HG2 ILE 21 17.821 18.942 4.224 134 1HD1 ILE 21 1HD1 ILE 21 17.970 23.070 4.698 135 2HD1 ILE 21 2HD1 ILE 21 16.780 22.509 3.524 136 3HD1 ILE 21 3HD1 ILE 21 17.800 23.898 3.149 137 H ILE 22 H ILE 22 17.042 18.898 0.979 138 HA ILE 22 HA ILE 22 16.849 16.439 2.279 139 HB ILE 22 HB ILE 22 15.137 15.850 0.602 140 1HG1 ILE 22 2HG1 ILE 22 16.023 18.445 -0.684 141 2HG1 ILE 22 1HG1 ILE 22 16.105 16.836 -1.391 142 1HG2 ILE 22 1HG2 ILE 22 15.101 17.880 2.517 143 2HG2 ILE 22 2HG2 ILE 22 13.711 17.053 1.817 144 3HG2 ILE 22 3HG2 ILE 22 14.284 18.563 1.112 145 1HD1 ILE 22 1HD1 ILE 22 14.153 18.606 -1.902 146 2HD1 ILE 22 2HD1 ILE 22 13.421 17.717 -0.569 147 3HD1 ILE 22 3HD1 ILE 22 13.950 16.861 -2.012 148 H LYS 23 H LYS 23 18.033 17.135 -1.018 149 HA LYS 23 HA LYS 23 18.550 14.458 -1.686 150 1HB LYS 23 2HB LYS 23 19.546 17.084 -2.703 151 2HB LYS 23 1HB LYS 23 20.309 15.599 -3.252 152 1HG LYS 23 2HG LYS 23 18.203 14.782 -4.078 153 2HG LYS 23 1HG LYS 23 17.371 16.195 -3.431 154 1HD LYS 23 2HD LYS 23 17.999 17.496 -5.143 155 2HD LYS 23 1HD LYS 23 19.636 16.848 -5.172 156 1HE LYS 23 2HE LYS 23 19.129 15.272 -6.705 157 2HE LYS 23 1HE LYS 23 17.495 15.043 -6.085 158 1HZ LYS 23 1HZ LYS 23 17.184 16.028 -8.147 159 2HZ LYS 23 2HZ LYS 23 18.483 17.094 -7.962 160 3HZ LYS 23 3HZ LYS 23 17.059 17.340 -7.085 161 H GLU 24 H GLU 24 20.734 16.961 -0.392 162 HA GLU 24 HA GLU 24 23.025 15.355 -0.178 163 1HB GLU 24 2HB GLU 24 22.093 17.912 0.953 164 2HB GLU 24 1HB GLU 24 23.232 17.065 1.978 165 1HG GLU 24 2HG GLU 24 24.441 16.873 -0.451 166 2HG GLU 24 1HG GLU 24 23.643 18.440 -0.569 167 H SER 25 H SER 25 20.231 15.764 1.891 168 HA SER 25 HA SER 25 21.211 14.282 4.100 169 1HB SER 25 2HB SER 25 19.188 15.874 4.036 170 2HB SER 25 1HB SER 25 18.297 14.520 3.345 171 HG SER 25 HG SER 25 19.127 13.334 5.274 172 H ILE 26 H ILE 26 19.281 13.444 1.235 173 HA ILE 26 HA ILE 26 18.772 10.761 1.879 174 HB ILE 26 HB ILE 26 18.602 12.443 -0.518 175 1HG1 ILE 26 2HG1 ILE 26 16.647 10.667 -0.798 176 2HG1 ILE 26 1HG1 ILE 26 17.027 10.369 0.894 177 1HG2 ILE 26 1HG2 ILE 26 20.079 10.834 -1.559 178 2HG2 ILE 26 2HG2 ILE 26 18.436 10.605 -2.160 179 3HG2 ILE 26 3HG2 ILE 26 19.097 9.498 -0.956 180 1HD1 ILE 26 1HD1 ILE 26 16.826 12.918 1.144 181 2HD1 ILE 26 2HD1 ILE 26 15.360 11.953 0.997 182 3HD1 ILE 26 3HD1 ILE 26 15.978 12.841 -0.397 183 H ASP 27 H ASP 27 21.500 12.301 0.314 184 HA ASP 27 HA ASP 27 22.902 10.015 -0.462 185 1HB ASP 27 2HB ASP 27 23.513 12.219 -1.263 186 2HB ASP 27 1HB ASP 27 23.847 12.765 0.366 187 H ALA 28 H ALA 28 22.714 11.720 2.605 188 HA ALA 28 HA ALA 28 24.716 10.001 3.838 189 1HB ALA 28 1HB ALA 28 24.354 12.538 4.236 190 2HB ALA 28 2HB ALA 28 24.761 11.492 5.597 191 3HB ALA 28 3HB ALA 28 23.092 12.003 5.345 192 H VAL 29 H VAL 29 21.234 10.538 4.031 193 HA VAL 29 HA VAL 29 20.795 8.825 6.232 194 HB VAL 29 HB VAL 29 19.217 10.501 4.437 195 1HG1 VAL 29 1HG1 VAL 29 17.653 9.006 3.852 196 2HG1 VAL 29 2HG1 VAL 29 17.071 9.350 5.469 197 3HG1 VAL 29 3HG1 VAL 29 18.030 7.913 5.181 198 1HG2 VAL 29 1HG2 VAL 29 18.072 10.105 7.023 199 2HG2 VAL 29 2HG2 VAL 29 18.850 11.529 6.339 200 3HG2 VAL 29 3HG2 VAL 29 19.816 10.304 7.153 201 H LEU 30 H LEU 30 21.702 8.095 3.084 202 HA LEU 30 HA LEU 30 20.663 5.370 3.393 203 1HB LEU 30 2HB LEU 30 20.919 7.040 0.912 204 2HB LEU 30 1HB LEU 30 20.850 5.286 0.838 205 HG LEU 30 HG LEU 30 18.641 6.257 0.456 206 1HD1 LEU 30 1HD1 LEU 30 18.927 4.090 1.681 207 2HD1 LEU 30 2HD1 LEU 30 17.414 4.938 2.005 208 3HD1 LEU 30 3HD1 LEU 30 18.728 4.996 3.177 209 1HD2 LEU 30 1HD2 LEU 30 19.346 8.170 2.215 210 2HD2 LEU 30 2HD2 LEU 30 18.355 7.151 3.241 211 3HD2 LEU 30 3HD2 LEU 30 17.683 7.824 1.759 212 H GLN 31 H GLN 31 23.411 7.406 2.447 213 HA GLN 31 HA GLN 31 25.029 5.056 1.888 214 1HB GLN 31 2HB GLN 31 25.108 7.352 0.660 215 2HB GLN 31 1HB GLN 31 26.131 7.824 2.002 216 1HG GLN 31 2HG GLN 31 27.739 6.196 1.491 217 2HG GLN 31 1HG GLN 31 26.667 5.424 0.334 218 1HE2 GLN 31 1HE2 GLN 31 27.618 8.791 0.866 219 2HE2 GLN 31 2HE2 GLN 31 28.179 9.070 -0.744 220 H ASN 32 H ASN 32 24.281 6.924 4.649 221 HA ASN 32 HA ASN 32 26.506 7.252 6.129 222 1HB ASN 32 2HB ASN 32 25.185 6.665 8.149 223 2HB ASN 32 1HB ASN 32 24.335 7.744 7.053 224 1HD2 ASN 32 1HD2 ASN 32 22.416 7.129 6.235 225 2HD2 ASN 32 2HD2 ASN 32 21.674 5.597 6.525 226 H GLN 33 H GLN 33 25.164 4.111 5.288 227 HA GLN 33 HA GLN 33 27.579 2.897 6.388 228 1HB GLN 33 2HB GLN 33 25.995 2.666 8.194 229 2HB GLN 33 1HB GLN 33 24.788 1.992 7.109 230 1HG GLN 33 2HG GLN 33 25.786 0.245 8.431 231 2HG GLN 33 1HG GLN 33 26.229 0.043 6.737 232 1HE2 GLN 33 1HE2 GLN 33 27.426 1.692 9.645 233 2HE2 GLN 33 2HE2 GLN 33 29.086 1.276 9.406 234 H GLN 34 H GLN 34 24.740 1.035 5.382 235 HA GLN 34 HA GLN 34 25.982 0.533 2.784 236 1HB GLN 34 2HB GLN 34 26.462 -1.189 4.823 237 2HB GLN 34 1HB GLN 34 24.993 -1.887 4.157 238 1HG GLN 34 2HG GLN 34 26.443 -1.447 1.904 239 2HG GLN 34 1HG GLN 34 27.710 -1.815 3.073 240 1HE2 GLN 34 1HE2 GLN 34 27.579 -3.827 4.219 241 2HE2 GLN 34 2HE2 GLN 34 26.789 -5.183 3.496 242 H TYR 35 H TYR 35 24.473 -1.242 1.637 243 HA TYR 35 HA TYR 35 21.860 0.024 1.529 244 1HB TYR 35 2HB TYR 35 23.015 -0.373 -0.570 245 2HB TYR 35 1HB TYR 35 23.157 -2.088 -0.206 246 HD1 TYR 35 1HD TYR 35 21.065 0.508 -1.585 247 HD2 TYR 35 2HD TYR 35 21.084 -3.502 -0.163 248 HE1 TYR 35 1HE TYR 35 18.938 0.094 -2.745 249 HE2 TYR 35 2HE TYR 35 18.957 -3.928 -1.320 250 HH TYR 35 HH TYR 35 16.899 -2.053 -2.137 251 H SER 36 H SER 36 20.336 -0.679 2.853 252 HA SER 36 HA SER 36 19.935 -3.576 3.144 253 1HB SER 36 2HB SER 36 19.831 -1.518 5.362 254 2HB SER 36 1HB SER 36 19.272 -3.182 5.524 255 HG SER 36 HG SER 36 21.622 -2.430 6.054 256 H GLU 37 H GLU 37 17.898 -4.168 2.616 257 HA GLU 37 HA GLU 37 16.000 -2.274 1.762 258 1HB GLU 37 2HB GLU 37 16.053 -4.599 0.942 259 2HB GLU 37 1HB GLU 37 15.516 -5.157 2.522 260 1HG GLU 37 2HG GLU 37 13.412 -4.862 1.922 261 2HG GLU 37 1HG GLU 37 13.716 -3.149 1.670 262 H ALA 38 H ALA 38 16.318 -4.067 4.793 263 HA ALA 38 HA ALA 38 13.883 -3.356 5.967 264 1HB ALA 38 1HB ALA 38 14.737 -4.186 7.929 265 2HB ALA 38 2HB ALA 38 16.340 -3.508 7.643 266 3HB ALA 38 3HB ALA 38 15.819 -4.943 6.759 267 H LYS 39 H LYS 39 16.801 -1.540 5.486 268 HA LYS 39 HA LYS 39 15.794 0.651 7.139 269 1HB LYS 39 2HB LYS 39 18.462 -0.198 6.173 270 2HB LYS 39 1HB LYS 39 18.186 1.520 6.343 271 1HG LYS 39 2HG LYS 39 19.010 1.035 8.388 272 2HG LYS 39 1HG LYS 39 17.284 0.854 8.692 273 1HD LYS 39 2HD LYS 39 18.490 -0.992 9.657 274 2HD LYS 39 1HD LYS 39 17.505 -1.564 8.312 275 1HE LYS 39 2HE LYS 39 19.326 -2.475 7.423 276 2HE LYS 39 1HE LYS 39 20.013 -0.863 7.236 277 1HZ LYS 39 1HZ LYS 39 20.266 -2.551 9.666 278 2HZ LYS 39 2HZ LYS 39 20.979 -1.037 9.424 279 3HZ LYS 39 3HZ LYS 39 21.465 -2.358 8.488 280 H VAL 40 H VAL 40 16.005 -0.344 3.879 281 HA VAL 40 HA VAL 40 16.393 1.954 2.429 282 HB VAL 40 HB VAL 40 14.884 -0.567 1.970 283 1HG1 VAL 40 1HG1 VAL 40 13.237 0.667 0.916 284 2HG1 VAL 40 2HG1 VAL 40 14.347 0.295 -0.402 285 3HG1 VAL 40 3HG1 VAL 40 14.373 1.891 0.347 286 1HG2 VAL 40 1HG2 VAL 40 17.371 -0.024 1.547 287 2HG2 VAL 40 2HG2 VAL 40 16.776 0.761 0.084 288 3HG2 VAL 40 3HG2 VAL 40 16.475 -0.957 0.347 289 H SER 41 H SER 41 13.666 1.118 4.420 290 HA SER 41 HA SER 41 12.167 3.445 3.440 291 1HB SER 41 2HB SER 41 11.092 1.480 5.442 292 2HB SER 41 1HB SER 41 10.216 2.465 4.270 293 HG SER 41 HG SER 41 11.322 -0.021 3.991 294 H GLN 42 H GLN 42 13.407 1.950 6.406 295 HA GLN 42 HA GLN 42 12.569 3.975 8.167 296 1HB GLN 42 2HB GLN 42 14.696 1.863 8.276 297 2HB GLN 42 1HB GLN 42 14.646 3.104 9.520 298 1HG GLN 42 2HG GLN 42 13.200 1.822 10.598 299 2HG GLN 42 1HG GLN 42 12.027 2.233 9.348 300 1HE2 GLN 42 1HE2 GLN 42 11.415 0.713 7.891 301 2HE2 GLN 42 2HE2 GLN 42 11.941 -0.932 7.935 302 H TRP 43 H TRP 43 15.342 3.728 6.065 303 HA TRP 43 HA TRP 43 16.901 5.762 7.183 304 1HB TRP 43 2HB TRP 43 16.701 4.552 4.467 305 2HB TRP 43 1HB TRP 43 17.624 6.033 4.663 306 HD1 TRP 43 HD TRP 43 18.555 2.880 4.040 307 HE1 TRP 43 1HE TRP 43 20.548 2.014 5.379 308 HE3 TRP 43 3HE TRP 43 18.566 6.296 7.871 309 HZ2 TRP 43 2HZ TRP 43 21.969 2.662 7.719 310 HZ3 TRP 43 3HZ TRP 43 20.285 6.092 9.608 311 HH2 TRP 43 HH TRP 43 21.955 4.316 9.533 312 H THR 44 H THR 44 14.644 5.915 4.440 313 HA THR 44 HA THR 44 14.853 8.633 3.971 314 HB THR 44 HB THR 44 13.512 6.624 2.782 315 HG1 THR 44 1HG THR 44 13.540 8.114 1.351 316 1HG2 THR 44 1HG2 THR 44 11.603 7.168 4.585 317 2HG2 THR 44 2HG2 THR 44 11.276 6.607 2.946 318 3HG2 THR 44 3HG2 THR 44 11.181 8.325 3.324 319 H SER 45 H SER 45 13.250 7.001 6.541 320 HA SER 45 HA SER 45 11.576 9.193 7.324 321 1HB SER 45 2HB SER 45 11.990 6.489 8.174 322 2HB SER 45 1HB SER 45 12.188 7.543 9.571 323 HG SER 45 HG SER 45 9.933 6.872 8.212 324 H SER 46 H SER 46 14.765 7.947 8.082 325 HA SER 46 HA SER 46 15.440 9.801 10.112 326 1HB SER 46 2HB SER 46 16.841 7.790 8.490 327 2HB SER 46 1HB SER 46 17.843 9.176 8.920 328 HG SER 46 HG SER 46 16.700 7.226 10.545 329 H CYS 47 H CYS 47 15.526 9.859 6.616 330 HA CYS 47 HA CYS 47 17.049 12.232 6.325 331 1HB CYS 47 2HB CYS 47 15.842 10.414 4.569 332 2HB CYS 47 1HB CYS 47 14.988 11.912 4.299 333 HG CYS 47 HG CYS 47 18.043 12.090 4.152 334 H LEU 48 H LEU 48 13.657 11.493 6.710 335 HA LEU 48 HA LEU 48 12.632 14.085 6.395 336 1HB LEU 48 2HB LEU 48 11.707 11.496 7.455 337 2HB LEU 48 1HB LEU 48 10.910 12.885 8.156 338 HG LEU 48 HG LEU 48 9.712 13.313 6.299 339 1HD1 LEU 48 1HD1 LEU 48 12.208 12.695 4.821 340 2HD1 LEU 48 2HD1 LEU 48 11.130 14.080 4.698 341 3HD1 LEU 48 3HD1 LEU 48 10.682 12.554 3.947 342 1HD2 LEU 48 1HD2 LEU 48 9.477 11.122 4.874 343 2HD2 LEU 48 2HD2 LEU 48 8.911 11.188 6.543 344 3HD2 LEU 48 3HD2 LEU 48 10.463 10.440 6.167 345 H GLU 49 H GLU 49 13.965 12.366 9.178 346 HA GLU 49 HA GLU 49 13.302 14.554 10.923 347 1HB GLU 49 2HB GLU 49 13.614 12.129 11.683 348 2HB GLU 49 1HB GLU 49 15.343 12.484 11.628 349 1HG GLU 49 2HG GLU 49 14.681 14.576 12.987 350 2HG GLU 49 1HG GLU 49 13.231 13.673 13.371 351 H HIS 50 H HIS 50 16.005 13.544 8.988 352 HA HIS 50 HA HIS 50 17.724 15.652 10.022 353 1HB HIS 50 2HB HIS 50 18.072 13.572 7.854 354 2HB HIS 50 1HB HIS 50 19.268 14.824 8.169 355 HD1 HIS 50 1HD HIS 50 20.068 14.821 10.849 356 HD2 HIS 50 2HD HIS 50 18.553 11.305 9.233 357 HE1 HIS 50 1HE HIS 50 20.870 12.984 12.367 358 HE2 HIS 50 2HE HIS 50 19.874 10.874 11.416 359 H CYS 51 H CYS 51 15.078 15.757 8.211 360 HA CYS 51 HA CYS 51 16.038 17.767 6.297 361 1HB CYS 51 2HB CYS 51 13.881 15.677 6.249 362 2HB CYS 51 1HB CYS 51 13.557 17.178 5.415 363 HG CYS 51 HG CYS 51 14.613 15.472 3.753 364 H ILE 52 H ILE 52 13.340 16.780 8.339 365 HA ILE 52 HA ILE 52 12.044 19.237 8.560 366 HB ILE 52 HB ILE 52 11.192 16.973 9.209 367 1HG1 ILE 52 2HG1 ILE 52 9.983 18.979 9.814 368 2HG1 ILE 52 1HG1 ILE 52 9.786 17.695 10.999 369 1HG2 ILE 52 1HG2 ILE 52 13.293 16.528 10.642 370 2HG2 ILE 52 2HG2 ILE 52 11.732 15.877 11.139 371 3HG2 ILE 52 3HG2 ILE 52 12.366 17.333 11.907 372 1HD1 ILE 52 1HD1 ILE 52 11.019 20.323 11.242 373 2HD1 ILE 52 2HD1 ILE 52 11.849 19.001 12.060 374 3HD1 ILE 52 3HD1 ILE 52 10.159 19.350 12.432 375 H LYS 53 H LYS 53 14.736 17.855 10.403 376 HA LYS 53 HA LYS 53 14.784 19.889 12.393 377 1HB LYS 53 2HB LYS 53 16.583 17.670 11.565 378 2HB LYS 53 1HB LYS 53 17.305 18.979 12.478 379 1HG LYS 53 2HG LYS 53 16.567 17.046 13.855 380 2HG LYS 53 1HG LYS 53 15.863 18.582 14.335 381 1HD LYS 53 2HD LYS 53 14.275 17.125 12.379 382 2HD LYS 53 1HD LYS 53 14.481 16.272 13.905 383 1HE LYS 53 2HE LYS 53 13.471 19.097 13.614 384 2HE LYS 53 1HE LYS 53 12.462 17.679 13.880 385 1HZ LYS 53 1HZ LYS 53 13.426 19.230 15.833 386 2HZ LYS 53 2HZ LYS 53 14.613 18.026 15.787 387 3HZ LYS 53 3HZ LYS 53 12.994 17.607 16.042 388 H ARG 54 H ARG 54 16.225 19.498 9.233 389 HA ARG 54 HA ARG 54 18.010 21.731 9.505 390 1HB ARG 54 2HB ARG 54 18.132 19.650 7.902 391 2HB ARG 54 1HB ARG 54 17.173 20.678 6.845 392 1HG ARG 54 2HG ARG 54 19.252 21.263 6.141 393 2HG ARG 54 1HG ARG 54 19.058 22.433 7.448 394 1HD ARG 54 2HD ARG 54 20.278 19.741 7.921 395 2HD ARG 54 1HD ARG 54 21.238 21.091 7.335 396 HE ARG 54 HE ARG 54 20.179 20.730 9.989 397 1HH1 ARG 54 1HH1 ARG 54 21.431 23.043 7.680 398 2HH1 ARG 54 2HH1 ARG 54 21.907 24.178 8.896 399 1HH2 ARG 54 1HH2 ARG 54 20.808 22.229 11.578 400 2HH2 ARG 54 2HH2 ARG 54 21.552 23.719 11.104 401 H LEU 55 H LEU 55 14.894 21.141 7.969 402 HA LEU 55 HA LEU 55 14.538 23.553 6.645 403 1HB LEU 55 2HB LEU 55 12.726 21.491 7.817 404 2HB LEU 55 1HB LEU 55 12.007 23.028 7.395 405 HG LEU 55 HG LEU 55 11.591 21.769 5.506 406 1HD1 LEU 55 1HD1 LEU 55 14.262 22.639 4.584 407 2HD1 LEU 55 2HD1 LEU 55 13.128 23.859 5.167 408 3HD1 LEU 55 3HD1 LEU 55 12.682 22.811 3.819 409 1HD2 LEU 55 1HD2 LEU 55 12.902 19.809 6.209 410 2HD2 LEU 55 2HD2 LEU 55 14.365 20.609 5.636 411 3HD2 LEU 55 3HD2 LEU 55 13.091 20.179 4.496 412 H THR 56 H THR 56 13.838 22.631 9.935 413 HA THR 56 HA THR 56 12.866 25.226 10.681 414 HB THR 56 HB THR 56 12.484 24.273 12.818 415 HG1 THR 56 1HG THR 56 14.159 22.101 12.112 416 1HG2 THR 56 1HG2 THR 56 10.854 23.233 11.604 417 2HG2 THR 56 2HG2 THR 56 11.725 21.828 12.209 418 3HG2 THR 56 3HG2 THR 56 11.991 22.389 10.562 419 H ALA 57 H ALA 57 15.905 23.532 10.640 420 HA ALA 57 HA ALA 57 17.333 25.063 12.525 421 1HB ALA 57 1HB ALA 57 18.227 22.970 11.683 422 2HB ALA 57 2HB ALA 57 19.347 24.278 11.305 423 3HB ALA 57 3HB ALA 57 18.298 23.625 10.047 424 H LEU 58 H LEU 58 16.506 25.530 9.154 425 HA LEU 58 HA LEU 58 18.016 28.022 9.021 426 1HB LEU 58 2HB LEU 58 16.966 26.070 7.102 427 2HB LEU 58 1HB LEU 58 16.728 27.732 6.612 428 HG LEU 58 HG LEU 58 19.196 28.096 6.960 429 1HD1 LEU 58 1HD1 LEU 58 19.289 25.088 7.050 430 2HD1 LEU 58 2HD1 LEU 58 19.500 26.132 8.456 431 3HD1 LEU 58 3HD1 LEU 58 20.652 26.204 7.122 432 1HD2 LEU 58 1HD2 LEU 58 19.765 26.582 4.902 433 2HD2 LEU 58 2HD2 LEU 58 18.648 27.937 4.734 434 3HD2 LEU 58 3HD2 LEU 58 18.025 26.295 4.892 435 H ASN 59 H ASN 59 14.800 26.807 9.423 436 HA ASN 59 HA ASN 59 12.753 27.748 9.536 437 1HB ASN 59 2HB ASN 59 12.580 29.731 10.926 438 2HB ASN 59 1HB ASN 59 13.794 28.638 11.577 439 1HD2 ASN 59 1HD2 ASN 59 15.985 29.191 11.399 440 2HD2 ASN 59 2HD2 ASN 59 16.481 30.824 11.134 441 H LYS 60 H LYS 60 12.092 27.926 7.463 442 HA LYS 60 HA LYS 60 11.481 30.480 6.485 443 1HB LYS 60 2HB LYS 60 13.856 30.602 5.937 444 2HB LYS 60 1HB LYS 60 13.745 29.091 5.046 445 1HG LYS 60 2HG LYS 60 11.901 31.218 4.184 446 2HG LYS 60 1HG LYS 60 13.617 31.521 3.908 447 1HD LYS 60 2HD LYS 60 13.391 28.947 3.065 448 2HD LYS 60 1HD LYS 60 11.806 29.592 2.630 449 1HE LYS 60 2HE LYS 60 14.495 30.685 1.813 450 2HE LYS 60 1HE LYS 60 13.330 29.864 0.776 451 1HZ LYS 60 1HZ LYS 60 13.058 32.528 2.045 452 2HZ LYS 60 2HZ LYS 60 11.758 31.715 1.330 453 3HZ LYS 60 3HZ LYS 60 13.092 32.165 0.393 454 HA PRO 61 HA PRO 61 9.705 30.974 6.141 455 1HB PRO 61 2HB PRO 61 7.025 30.643 6.067 456 2HB PRO 61 1HB PRO 61 7.968 31.247 4.708 457 1HG PRO 61 2HG PRO 61 6.651 28.649 5.059 458 2HG PRO 61 1HG PRO 61 7.184 29.448 3.573 459 1HD PRO 61 2HD PRO 61 8.477 27.338 5.008 460 2HD PRO 61 1HD PRO 61 9.021 28.145 3.530 461 H PHE 62 H PHE 62 7.184 28.604 6.976 462 HA PHE 62 HA PHE 62 8.208 28.468 9.711 463 1HB PHE 62 2HB PHE 62 6.209 30.241 9.081 464 2HB PHE 62 1HB PHE 62 5.295 28.831 9.604 465 HD1 PHE 62 1HD PHE 62 7.946 31.201 10.631 466 HD2 PHE 62 2HD PHE 62 5.090 28.302 11.876 467 HE1 PHE 62 1HE PHE 62 8.344 31.823 12.978 468 HE2 PHE 62 2HE PHE 62 5.482 28.919 14.226 469 HZ PHE 62 HZ PHE 62 7.111 30.683 14.779 470 H LYS 63 H LYS 63 5.183 27.516 8.064 471 HA LYS 63 HA LYS 63 5.380 24.873 9.239 472 1HB LYS 63 2HB LYS 63 3.299 26.079 7.404 473 2HB LYS 63 1HB LYS 63 3.182 24.492 8.154 474 1HG LYS 63 2HG LYS 63 3.129 25.495 10.352 475 2HG LYS 63 1HG LYS 63 3.359 27.099 9.652 476 1HD LYS 63 2HD LYS 63 1.212 26.513 8.297 477 2HD LYS 63 1HD LYS 63 0.958 25.319 9.571 478 1HE LYS 63 2HE LYS 63 0.979 27.036 11.256 479 2HE LYS 63 1HE LYS 63 1.422 28.258 10.064 480 1HZ LYS 63 1HZ LYS 63 -0.719 27.815 8.949 481 2HZ LYS 63 2HZ LYS 63 -0.907 28.412 10.520 482 3HZ LYS 63 3HZ LYS 63 -1.142 26.767 10.207 483 H TYR 64 H TYR 64 6.675 23.416 8.297 484 HA TYR 64 HA TYR 64 6.710 23.334 5.344 485 1HB TYR 64 2HB TYR 64 9.026 22.077 6.632 486 2HB TYR 64 1HB TYR 64 8.960 23.207 5.288 487 HD1 TYR 64 1HD TYR 64 9.289 22.857 8.916 488 HD2 TYR 64 2HD TYR 64 9.157 25.601 5.670 489 HE1 TYR 64 1HE TYR 64 10.161 24.626 10.383 490 HE2 TYR 64 2HE TYR 64 10.030 27.378 7.128 491 HH TYR 64 HH TYR 64 11.232 26.726 10.312 492 H VAL 65 H VAL 65 6.700 21.348 4.312 493 HA VAL 65 HA VAL 65 5.928 19.081 6.009 494 HB VAL 65 HB VAL 65 4.737 20.132 3.611 495 1HG1 VAL 65 1HG1 VAL 65 4.217 17.808 2.617 496 2HG1 VAL 65 2HG1 VAL 65 5.700 17.297 3.405 497 3HG1 VAL 65 3HG1 VAL 65 5.747 18.569 2.185 498 1HG2 VAL 65 1HG2 VAL 65 3.990 18.021 5.571 499 2HG2 VAL 65 2HG2 VAL 65 2.951 18.495 4.226 500 3HG2 VAL 65 3HG2 VAL 65 3.398 19.678 5.456 501 H VAL 66 H VAL 66 7.018 17.133 5.766 502 HA VAL 66 HA VAL 66 9.147 17.072 3.740 503 HB VAL 66 HB VAL 66 9.774 15.846 6.375 504 1HG1 VAL 66 1HG1 VAL 66 11.911 15.932 5.633 505 2HG1 VAL 66 2HG1 VAL 66 11.678 17.470 4.802 506 3HG1 VAL 66 3HG1 VAL 66 11.095 15.975 4.071 507 1HG2 VAL 66 1HG2 VAL 66 8.955 18.088 7.002 508 2HG2 VAL 66 2HG2 VAL 66 10.108 18.806 5.878 509 3HG2 VAL 66 3HG2 VAL 66 10.687 17.906 7.279 510 H THR 67 H THR 67 8.523 15.433 2.429 511 HA THR 67 HA THR 67 8.143 12.823 3.704 512 HB THR 67 HB THR 67 5.886 13.467 3.285 513 HG1 THR 67 1HG THR 67 6.232 11.363 2.690 514 1HG2 THR 67 1HG2 THR 67 5.900 13.705 0.423 515 2HG2 THR 67 2HG2 THR 67 6.876 14.968 1.173 516 3HG2 THR 67 3HG2 THR 67 5.187 14.763 1.640 517 H CYS 68 H CYS 68 9.128 11.160 2.712 518 HA CYS 68 HA CYS 68 10.136 11.588 -0.008 519 1HB CYS 68 2HB CYS 68 11.944 12.081 1.633 520 2HB CYS 68 1HB CYS 68 11.807 10.441 2.229 521 HG CYS 68 HG CYS 68 12.491 9.760 -0.339 522 H ILE 69 H ILE 69 9.825 9.964 -1.326 523 HA ILE 69 HA ILE 69 8.975 7.377 -0.217 524 HB ILE 69 HB ILE 69 8.482 8.525 -2.968 525 1HG1 ILE 69 2HG1 ILE 69 6.167 8.034 -1.252 526 2HG1 ILE 69 1HG1 ILE 69 7.256 9.262 -0.611 527 1HG2 ILE 69 1HG2 ILE 69 8.278 6.330 -3.435 528 2HG2 ILE 69 2HG2 ILE 69 6.671 6.583 -2.756 529 3HG2 ILE 69 3HG2 ILE 69 7.951 5.891 -1.759 530 1HD1 ILE 69 1HD1 ILE 69 6.038 9.273 -3.361 531 2HD1 ILE 69 2HD1 ILE 69 7.085 10.516 -2.678 532 3HD1 ILE 69 3HD1 ILE 69 5.489 10.228 -1.984 533 H ILE 70 H ILE 70 9.988 5.499 -0.867 534 HA ILE 70 HA ILE 70 12.498 5.873 -2.348 535 HB ILE 70 HB ILE 70 13.250 3.774 -1.339 536 1HG1 ILE 70 2HG1 ILE 70 11.500 3.294 0.764 537 2HG1 ILE 70 1HG1 ILE 70 10.428 3.582 -0.602 538 1HG2 ILE 70 1HG2 ILE 70 13.908 4.763 0.589 539 2HG2 ILE 70 2HG2 ILE 70 12.274 5.273 1.016 540 3HG2 ILE 70 3HG2 ILE 70 13.195 6.178 -0.185 541 1HD1 ILE 70 1HD1 ILE 70 10.956 1.645 -1.578 542 2HD1 ILE 70 2HD1 ILE 70 11.528 1.194 0.029 543 3HD1 ILE 70 3HD1 ILE 70 12.667 1.792 -1.178 544 H MET 71 H MET 71 12.772 5.013 -4.293 545 HA MET 71 HA MET 71 10.762 3.097 -5.261 546 1HB MET 71 2HB MET 71 11.752 5.490 -6.379 547 2HB MET 71 1HB MET 71 12.412 4.191 -7.363 548 1HG MET 71 2HG MET 71 9.984 3.305 -7.389 549 2HG MET 71 1HG MET 71 9.562 4.943 -6.893 550 1HE MET 71 1HE MET 71 9.439 2.730 -9.461 551 2HE MET 71 2HE MET 71 11.110 2.798 -10.020 552 3HE MET 71 3HE MET 71 9.825 3.522 -10.989 553 H GLN 72 H GLN 72 11.483 1.078 -5.048 554 HA GLN 72 HA GLN 72 14.316 0.485 -5.280 555 1HB GLN 72 2HB GLN 72 12.971 -0.538 -3.481 556 2HB GLN 72 1HB GLN 72 11.986 -1.348 -4.692 557 1HG GLN 72 2HG GLN 72 14.486 -2.136 -5.412 558 2HG GLN 72 1HG GLN 72 14.639 -2.018 -3.659 559 1HE2 GLN 72 1HE2 GLN 72 12.119 -2.751 -2.858 560 2HE2 GLN 72 2HE2 GLN 72 11.839 -4.405 -3.273 561 H LYS 73 H LYS 73 15.267 -0.755 -6.841 562 HA LYS 73 HA LYS 73 15.611 -1.664 -8.896 563 1HB LYS 73 2HB LYS 73 12.837 -2.572 -8.251 564 2HB LYS 73 1HB LYS 73 13.469 -2.853 -9.868 565 1HG LYS 73 2HG LYS 73 15.062 -3.673 -7.479 566 2HG LYS 73 1HG LYS 73 13.727 -4.677 -8.047 567 1HD LYS 73 2HD LYS 73 14.773 -4.718 -10.293 568 2HD LYS 73 1HD LYS 73 16.142 -3.816 -9.639 569 1HE LYS 73 2HE LYS 73 15.218 -6.507 -8.640 570 2HE LYS 73 1HE LYS 73 16.544 -6.258 -9.775 571 1HZ LYS 73 1HZ LYS 73 17.686 -6.333 -7.826 572 2HZ LYS 73 2HZ LYS 73 16.420 -5.691 -6.907 573 3HZ LYS 73 3HZ LYS 73 17.365 -4.672 -7.871 574 H ASN 74 H ASN 74 14.439 -1.764 -11.234 575 HA ASN 74 HA ASN 74 13.297 0.901 -11.740 576 1HB ASN 74 2HB ASN 74 14.654 0.951 -13.856 577 2HB ASN 74 1HB ASN 74 15.604 1.062 -12.377 578 1HD2 ASN 74 1HD2 ASN 74 16.486 -1.017 -11.564 579 2HD2 ASN 74 2HD2 ASN 74 17.063 -2.152 -12.730 580 H GLY 75 H GLY 75 11.856 -1.523 -11.457 581 1HA GLY 75 2HA GLY 75 10.662 -1.646 -14.130 582 2HA GLY 75 1HA GLY 75 11.168 -3.158 -13.389 583 H ALA 76 H ALA 76 9.750 -0.393 -11.722 584 HA ALA 76 HA ALA 76 7.324 -1.996 -11.246 585 1HB ALA 76 1HB ALA 76 9.050 -0.557 -9.271 586 2HB ALA 76 2HB ALA 76 8.390 -2.190 -9.197 587 3HB ALA 76 3HB ALA 76 7.332 -0.800 -8.951 588 H GLY 77 H GLY 77 5.411 -0.947 -11.420 589 1HA GLY 77 2HA GLY 77 5.500 1.783 -12.430 590 2HA GLY 77 1HA GLY 77 4.107 0.712 -12.441 591 H LEU 78 H LEU 78 5.098 3.526 -11.254 592 HA LEU 78 HA LEU 78 3.357 3.291 -8.907 593 1HB LEU 78 2HB LEU 78 5.705 3.138 -8.148 594 2HB LEU 78 1HB LEU 78 6.033 4.689 -8.899 595 HG LEU 78 HG LEU 78 3.901 4.455 -6.805 596 1HD1 LEU 78 1HD1 LEU 78 5.495 4.895 -5.070 597 2HD1 LEU 78 2HD1 LEU 78 6.819 4.940 -6.235 598 3HD1 LEU 78 3HD1 LEU 78 5.978 3.424 -5.915 599 1HD2 LEU 78 1HD2 LEU 78 4.944 6.825 -6.407 600 2HD2 LEU 78 2HD2 LEU 78 3.804 6.556 -7.725 601 3HD2 LEU 78 3HD2 LEU 78 5.535 6.612 -8.056 602 H HIS 79 H HIS 79 1.709 4.429 -9.843 603 HA HIS 79 HA HIS 79 2.311 7.151 -10.782 604 1HB HIS 79 2HB HIS 79 0.124 5.202 -11.429 605 2HB HIS 79 1HB HIS 79 -0.137 6.927 -11.666 606 HD1 HIS 79 1HD HIS 79 0.782 4.116 -13.535 607 HD2 HIS 79 2HD HIS 79 2.296 7.975 -13.264 608 HE1 HIS 79 1HE HIS 79 2.090 4.475 -15.652 609 HE2 HIS 79 2HE HIS 79 2.920 6.849 -15.507 610 H THR 80 H THR 80 1.622 8.857 -9.653 611 HA THR 80 HA THR 80 -0.398 8.418 -7.553 612 HB THR 80 HB THR 80 2.063 10.168 -7.366 613 HG1 THR 80 1HG THR 80 2.948 8.598 -6.254 614 1HG2 THR 80 1HG2 THR 80 1.272 9.965 -4.845 615 2HG2 THR 80 2HG2 THR 80 -0.307 9.872 -5.625 616 3HG2 THR 80 3HG2 THR 80 0.734 11.268 -5.906 617 H ALA 81 H ALA 81 -1.702 10.229 -7.002 618 HA ALA 81 HA ALA 81 -1.631 12.488 -8.877 619 1HB ALA 81 1HB ALA 81 -4.224 11.144 -8.169 620 2HB ALA 81 2HB ALA 81 -3.297 10.705 -9.604 621 3HB ALA 81 3HB ALA 81 -3.916 12.346 -9.421 622 H ALA 82 H ALA 82 -2.527 14.424 -8.039 623 HA ALA 82 HA ALA 82 -3.670 14.414 -5.405 624 1HB ALA 82 1HB ALA 82 -1.166 14.191 -5.104 625 2HB ALA 82 2HB ALA 82 -1.978 15.475 -4.210 626 3HB ALA 82 3HB ALA 82 -1.068 15.858 -5.671 627 H SER 83 H SER 83 -4.990 16.017 -5.118 628 HA SER 83 HA SER 83 -4.675 18.469 -6.706 629 1HB SER 83 2HB SER 83 -6.531 16.831 -7.490 630 2HB SER 83 1HB SER 83 -7.379 17.317 -6.023 631 HG SER 83 HG SER 83 -6.733 18.828 -8.298 632 H CYS 84 H CYS 84 -4.346 20.097 -5.333 633 HA CYS 84 HA CYS 84 -5.432 19.892 -2.619 634 1HB CYS 84 2HB CYS 84 -3.347 21.829 -3.547 635 2HB CYS 84 1HB CYS 84 -3.725 21.368 -1.898 636 HG CYS 84 HG CYS 84 -2.551 19.164 -3.705 637 H TRP 85 H TRP 85 -6.344 21.764 -1.606 638 HA TRP 85 HA TRP 85 -8.089 23.182 -3.382 639 1HB TRP 85 2HB TRP 85 -8.254 22.428 -0.764 640 2HB TRP 85 1HB TRP 85 -7.893 24.145 -0.603 641 HD1 TRP 85 HD TRP 85 -10.191 22.322 -3.130 642 HE1 TRP 85 1HE TRP 85 -12.508 23.414 -3.028 643 HE3 TRP 85 3HE TRP 85 -9.329 25.702 0.607 644 HZ2 TRP 85 2HZ TRP 85 -13.814 25.446 -1.558 645 HZ3 TRP 85 3HZ TRP 85 -11.166 27.185 1.301 646 HH2 TRP 85 HH TRP 85 -13.362 27.058 0.240 647 H TRP 86 H TRP 86 -8.283 25.713 -2.261 648 HA TRP 86 HA TRP 86 -5.956 26.968 -3.454 649 1HB TRP 86 2HB TRP 86 -8.366 28.342 -2.264 650 2HB TRP 86 1HB TRP 86 -7.221 28.997 -3.431 651 HD1 TRP 86 HD TRP 86 -10.599 28.084 -3.479 652 HE1 TRP 86 1HE TRP 86 -11.371 27.109 -5.732 653 HE3 TRP 86 3HE TRP 86 -6.033 26.943 -5.478 654 HZ2 TRP 86 2HZ TRP 86 -10.200 26.002 -8.049 655 HZ3 TRP 86 3HZ TRP 86 -5.947 25.929 -7.717 656 HH2 TRP 86 HH TRP 86 -7.988 25.467 -8.975 657 H ASP 87 H ASP 87 -4.436 28.155 -2.441 658 HA ASP 87 HA ASP 87 -4.586 29.373 0.046 659 1HB ASP 87 2HB ASP 87 -4.585 26.684 0.488 660 2HB ASP 87 1HB ASP 87 -2.858 27.025 0.532 661 H SER 88 H SER 88 -3.295 30.970 -0.657 662 HA SER 88 HA SER 88 -0.878 30.426 -2.136 663 1HB SER 88 2HB SER 88 -2.220 32.950 -1.184 664 2HB SER 88 1HB SER 88 -0.623 32.975 -1.931 665 HG SER 88 HG SER 88 -1.502 32.150 -3.800 666 H THR 89 H THR 89 -1.752 31.224 1.148 667 HA THR 89 HA THR 89 0.801 32.043 2.040 668 HB THR 89 HB THR 89 -1.186 32.564 3.322 669 HG1 THR 89 1HG THR 89 0.488 32.492 4.680 670 1HG2 THR 89 1HG2 THR 89 -1.494 29.816 4.365 671 2HG2 THR 89 2HG2 THR 89 -2.186 30.170 2.782 672 3HG2 THR 89 3HG2 THR 89 -2.681 31.108 4.190 673 H THR 90 H THR 90 -0.821 28.885 2.090 674 HA THR 90 HA THR 90 1.686 27.641 2.928 675 HB THR 90 HB THR 90 0.387 25.810 3.737 676 HG1 THR 90 1HG THR 90 -1.326 25.240 2.711 677 1HG2 THR 90 1HG2 THR 90 -0.153 28.370 4.679 678 2HG2 THR 90 2HG2 THR 90 -0.422 26.837 5.508 679 3HG2 THR 90 3HG2 THR 90 -1.717 27.565 4.560 680 H ASP 91 H ASP 91 2.220 28.226 0.558 681 HA ASP 91 HA ASP 91 1.591 25.867 -1.071 682 1HB ASP 91 2HB ASP 91 0.440 28.229 -1.643 683 2HB ASP 91 1HB ASP 91 1.951 28.427 -2.524 684 H GLY 92 H GLY 92 3.545 24.890 -0.822 685 1HA GLY 92 2HA GLY 92 5.745 26.039 -2.318 686 2HA GLY 92 1HA GLY 92 6.057 25.834 -0.602 687 H SER 93 H SER 93 3.979 23.570 -2.214 688 HA SER 93 HA SER 93 5.579 21.374 -1.473 689 1HB SER 93 2HB SER 93 3.380 21.322 -3.531 690 2HB SER 93 1HB SER 93 3.920 20.003 -2.492 691 HG SER 93 HG SER 93 1.982 21.031 -1.756 692 H ARG 94 H ARG 94 7.430 20.771 -2.353 693 HA ARG 94 HA ARG 94 7.623 20.665 -5.280 694 1HB ARG 94 2HB ARG 94 9.373 22.196 -3.434 695 2HB ARG 94 1HB ARG 94 10.176 21.297 -4.713 696 1HG ARG 94 2HG ARG 94 7.946 23.258 -5.189 697 2HG ARG 94 1HG ARG 94 9.660 23.667 -5.271 698 1HD ARG 94 2HD ARG 94 9.992 22.073 -7.057 699 2HD ARG 94 1HD ARG 94 8.317 21.539 -6.931 700 HE ARG 94 HE ARG 94 8.454 24.326 -7.434 701 1HH1 ARG 94 1HH1 ARG 94 8.814 21.225 -9.016 702 2HH1 ARG 94 2HH1 ARG 94 8.389 21.839 -10.577 703 1HH2 ARG 94 1HH2 ARG 94 7.897 25.123 -9.490 704 2HH2 ARG 94 2HH2 ARG 94 7.870 24.047 -10.848 705 H THR 95 H THR 95 8.589 18.821 -6.042 706 HA THR 95 HA THR 95 9.569 16.958 -3.999 707 HB THR 95 HB THR 95 7.519 16.372 -5.392 708 HG1 THR 95 1HG THR 95 9.753 14.635 -5.287 709 1HG2 THR 95 1HG2 THR 95 8.855 17.008 -7.569 710 2HG2 THR 95 2HG2 THR 95 7.653 15.715 -7.552 711 3HG2 THR 95 3HG2 THR 95 9.371 15.326 -7.448 712 H VAL 96 H VAL 96 11.395 15.659 -4.362 713 HA VAL 96 HA VAL 96 13.139 16.499 -6.587 714 HB VAL 96 HB VAL 96 14.127 16.024 -3.775 715 1HG1 VAL 96 1HG1 VAL 96 16.033 15.734 -4.907 716 2HG1 VAL 96 2HG1 VAL 96 16.019 17.491 -5.056 717 3HG1 VAL 96 3HG1 VAL 96 15.398 16.490 -6.368 718 1HG2 VAL 96 1HG2 VAL 96 12.965 18.013 -3.512 719 2HG2 VAL 96 2HG2 VAL 96 13.325 18.556 -5.151 720 3HG2 VAL 96 3HG2 VAL 96 14.589 18.565 -3.921 721 H ARG 97 H ARG 97 13.459 14.698 -7.759 722 HA ARG 97 HA ARG 97 13.760 12.150 -6.308 723 1HB ARG 97 2HB ARG 97 11.735 12.524 -7.856 724 2HB ARG 97 1HB ARG 97 12.888 12.370 -9.174 725 1HG ARG 97 2HG ARG 97 12.966 10.244 -7.138 726 2HG ARG 97 1HG ARG 97 11.517 10.310 -8.144 727 1HD ARG 97 2HD ARG 97 14.181 10.517 -9.432 728 2HD ARG 97 1HD ARG 97 13.634 8.938 -8.875 729 HE ARG 97 HE ARG 97 12.772 10.289 -11.198 730 1HH1 ARG 97 1HH1 ARG 97 11.527 8.316 -8.592 731 2HH1 ARG 97 2HH1 ARG 97 10.215 7.691 -9.533 732 1HH2 ARG 97 1HH2 ARG 97 11.047 9.464 -12.426 733 2HH2 ARG 97 2HH2 ARG 97 9.943 8.340 -11.706 734 H TRP 98 H TRP 98 15.838 11.574 -6.225 735 HA TRP 98 HA TRP 98 17.283 11.427 -8.736 736 1HB TRP 98 2HB TRP 98 19.151 12.682 -8.152 737 2HB TRP 98 1HB TRP 98 17.810 13.653 -7.579 738 HD1 TRP 98 HD TRP 98 17.464 12.041 -4.734 739 HE1 TRP 98 1HE TRP 98 19.219 12.517 -2.892 740 HE3 TRP 98 3HE TRP 98 21.247 13.872 -7.642 741 HZ2 TRP 98 2HZ TRP 98 21.839 13.513 -2.707 742 HZ3 TRP 98 3HZ TRP 98 23.345 14.562 -6.558 743 HH2 TRP 98 HH TRP 98 23.633 14.385 -4.140 744 H GLU 99 H GLU 99 19.089 10.006 -8.718 745 HA GLU 99 HA GLU 99 18.931 8.030 -6.539 746 1HB GLU 99 2HB GLU 99 19.776 7.498 -9.385 747 2HB GLU 99 1HB GLU 99 19.429 6.314 -8.134 748 1HG GLU 99 2HG GLU 99 17.392 6.185 -8.978 749 2HG GLU 99 1HG GLU 99 17.101 7.785 -8.299 750 H ASN 100 H ASN 100 20.900 6.660 -6.342 751 HA ASN 100 HA ASN 100 23.336 8.284 -6.700 752 1HB ASN 100 2HB ASN 100 24.079 6.833 -4.589 753 2HB ASN 100 1HB ASN 100 23.238 8.367 -4.417 754 1HD2 ASN 100 1HD2 ASN 100 20.826 8.189 -4.297 755 2HD2 ASN 100 2HD2 ASN 100 20.178 6.884 -3.370 756 H LYS 101 H LYS 101 22.828 4.938 -5.585 757 HA LYS 101 HA LYS 101 24.874 4.055 -7.450 758 1HB LYS 101 2HB LYS 101 24.982 3.272 -5.134 759 2HB LYS 101 1HB LYS 101 23.386 2.551 -5.292 760 1HG LYS 101 2HG LYS 101 25.431 1.690 -7.244 761 2HG LYS 101 1HG LYS 101 25.645 1.166 -5.572 762 1HD LYS 101 2HD LYS 101 22.954 0.879 -6.809 763 2HD LYS 101 1HD LYS 101 24.222 -0.247 -7.295 764 1HE LYS 101 2HE LYS 101 24.614 -0.663 -4.831 765 2HE LYS 101 1HE LYS 101 23.124 0.231 -4.534 766 1HZ LYS 101 1HZ LYS 101 21.863 -1.380 -5.644 767 2HZ LYS 101 2HZ LYS 101 22.944 -2.271 -4.697 768 3HZ LYS 101 3HZ LYS 101 23.220 -2.099 -6.356 769 H SER 102 H SER 102 21.570 3.058 -6.580 770 HA SER 102 HA SER 102 20.958 2.567 -9.370 771 1HB SER 102 2HB SER 102 21.943 0.428 -8.732 772 2HB SER 102 1HB SER 102 20.883 0.334 -7.325 773 HG SER 102 HG SER 102 19.112 0.224 -8.753 774 H MET 103 H MET 103 19.875 2.174 -6.015 775 HA MET 103 HA MET 103 17.116 2.201 -6.523 776 1HB MET 103 2HB MET 103 18.569 1.766 -4.323 777 2HB MET 103 1HB MET 103 18.135 3.441 -4.017 778 1HG MET 103 2HG MET 103 16.276 2.646 -3.107 779 2HG MET 103 1HG MET 103 15.741 2.324 -4.756 780 1HE MET 103 1HE MET 103 16.858 0.164 -5.978 781 2HE MET 103 2HE MET 103 16.994 -1.399 -5.175 782 3HE MET 103 3HE MET 103 18.289 -0.214 -5.020 783 H TYR 104 H TYR 104 15.577 3.924 -6.033 784 HA TYR 104 HA TYR 104 16.651 6.564 -6.793 785 1HB TYR 104 2HB TYR 104 13.801 5.599 -7.136 786 2HB TYR 104 1HB TYR 104 14.513 7.065 -7.796 787 HD1 TYR 104 1HD TYR 104 15.001 7.039 -10.037 788 HD2 TYR 104 2HD TYR 104 15.161 3.369 -7.889 789 HE1 TYR 104 1HE TYR 104 15.543 5.850 -12.118 790 HE2 TYR 104 2HE TYR 104 15.709 2.173 -9.963 791 HH TYR 104 HH TYR 104 15.269 3.418 -12.975 792 H CYS 105 H CYS 105 16.148 8.342 -5.561 793 HA CYS 105 HA CYS 105 14.446 7.869 -3.196 794 1HB CYS 105 2HB CYS 105 16.844 9.699 -3.207 795 2HB CYS 105 1HB CYS 105 15.922 9.127 -1.822 796 HG CYS 105 HG CYS 105 17.238 6.807 -3.205 797 H ILE 106 H ILE 106 12.657 9.065 -3.338 798 HA ILE 106 HA ILE 106 12.869 11.711 -4.605 799 HB ILE 106 HB ILE 106 11.433 10.331 -5.914 800 1HG1 ILE 106 2HG1 ILE 106 9.346 11.834 -4.449 801 2HG1 ILE 106 1HG1 ILE 106 10.710 12.754 -5.074 802 1HG2 ILE 106 1HG2 ILE 106 9.335 9.374 -4.916 803 2HG2 ILE 106 2HG2 ILE 106 10.067 9.661 -3.341 804 3HG2 ILE 106 3HG2 ILE 106 10.845 8.575 -4.488 805 1HD1 ILE 106 1HD1 ILE 106 8.412 11.898 -6.436 806 2HD1 ILE 106 2HD1 ILE 106 9.775 10.997 -7.101 807 3HD1 ILE 106 3HD1 ILE 106 9.808 12.760 -7.081 808 H CYS 107 H CYS 107 12.831 13.331 -3.200 809 HA CYS 107 HA CYS 107 11.130 13.068 -0.811 810 1HB CYS 107 2HB CYS 107 13.582 13.015 -0.309 811 2HB CYS 107 1HB CYS 107 13.700 14.634 -0.963 812 HG CYS 107 HG CYS 107 13.086 14.096 1.818 813 H THR 108 H THR 108 9.523 14.431 -0.778 814 HA THR 108 HA THR 108 9.788 16.967 -2.230 815 HB THR 108 HB THR 108 8.008 15.334 -3.008 816 HG1 THR 108 1HG THR 108 7.360 17.951 -2.175 817 1HG2 THR 108 1HG2 THR 108 6.689 16.150 -0.429 818 2HG2 THR 108 2HG2 THR 108 7.140 14.517 -0.919 819 3HG2 THR 108 3HG2 THR 108 5.869 15.380 -1.787 820 H VAL 109 H VAL 109 9.566 18.836 -1.205 821 HA VAL 109 HA VAL 109 8.730 18.757 1.615 822 HB VAL 109 HB VAL 109 10.526 20.976 0.833 823 1HG1 VAL 109 1HG1 VAL 109 9.754 20.808 3.090 824 2HG1 VAL 109 2HG1 VAL 109 11.486 20.474 3.065 825 3HG1 VAL 109 3HG1 VAL 109 10.334 19.147 3.217 826 1HG2 VAL 109 1HG2 VAL 109 12.002 19.608 -0.186 827 2HG2 VAL 109 2HG2 VAL 109 11.387 18.160 0.612 828 3HG2 VAL 109 3HG2 VAL 109 12.464 19.255 1.478 829 H PHE 110 H PHE 110 7.053 20.077 2.126 830 HA PHE 110 HA PHE 110 6.371 22.123 0.127 831 1HB PHE 110 2HB PHE 110 4.431 21.364 2.266 832 2HB PHE 110 1HB PHE 110 4.131 22.064 0.697 833 HD1 PHE 110 1HD PHE 110 2.515 19.903 1.783 834 HD2 PHE 110 2HD PHE 110 6.079 19.731 -0.532 835 HE1 PHE 110 1HE PHE 110 1.846 17.703 0.914 836 HE2 PHE 110 2HE PHE 110 5.421 17.536 -1.396 837 HZ PHE 110 HZ PHE 110 3.302 16.514 -0.675 838 H GLY 111 H GLY 111 7.416 23.888 0.663 839 1HA GLY 111 2HA GLY 111 7.733 24.713 3.420 840 2HA GLY 111 1HA GLY 111 8.308 25.579 1.998 841 H LEU 112 H LEU 112 5.466 24.846 3.934 842 HA LEU 112 HA LEU 112 3.862 26.825 2.587 843 1HB LEU 112 2HB LEU 112 3.395 24.998 4.930 844 2HB LEU 112 1HB LEU 112 2.215 26.189 4.431 845 HG LEU 112 HG LEU 112 1.636 25.014 2.519 846 1HD1 LEU 112 1HD1 LEU 112 4.100 23.337 2.584 847 2HD1 LEU 112 2HD1 LEU 112 4.007 24.847 1.682 848 3HD1 LEU 112 3HD1 LEU 112 2.930 23.513 1.284 849 1HD2 LEU 112 1HD2 LEU 112 1.019 23.715 4.453 850 2HD2 LEU 112 2HD2 LEU 112 2.573 22.882 4.399 851 3HD2 LEU 112 3HD2 LEU 112 1.412 22.667 3.090 852 H ALA 113 H ALA 113 3.720 28.886 3.070 853 HA ALA 113 HA ALA 113 5.214 30.024 5.218 854 1HB ALA 113 1HB ALA 113 3.163 31.601 3.746 855 2HB ALA 113 2HB ALA 113 4.568 30.998 2.868 856 3HB ALA 113 3HB ALA 113 4.787 32.060 4.258 857 H ILE 114 H ILE 114 4.221 28.924 7.021 858 HA ILE 114 HA ILE 114 2.894 28.884 8.869 859 HB ILE 114 HB ILE 114 1.737 31.494 7.886 860 1HG1 ILE 114 2HG1 ILE 114 3.901 31.493 9.911 861 2HG1 ILE 114 1HG1 ILE 114 4.392 31.121 8.262 862 1HG2 ILE 114 1HG2 ILE 114 1.898 30.186 10.592 863 2HG2 ILE 114 2HG2 ILE 114 0.451 30.608 9.676 864 3HG2 ILE 114 3HG2 ILE 114 1.468 31.880 10.354 865 1HD1 ILE 114 1HD1 ILE 114 3.360 33.216 7.507 866 2HD1 ILE 114 2HD1 ILE 114 4.635 33.477 8.698 867 3HD1 ILE 114 3HD1 ILE 114 2.943 33.592 9.179 868 1H MET 1 1HT MET 1 -12.435 -19.370 -8.502 869 HA MET 1 HA MET 1 -13.941 -18.789 -6.073 870 1HB MET 1 2HB MET 1 -11.193 -19.908 -6.660 871 2HB MET 1 1HB MET 1 -11.738 -19.420 -5.060 872 1HG MET 1 2HG MET 1 -12.907 -21.611 -6.759 873 2HG MET 1 1HG MET 1 -11.913 -21.812 -5.317 874 1HE MET 1 1HE MET 1 -13.211 -23.256 -4.159 875 2HE MET 1 2HE MET 1 -14.785 -23.435 -4.933 876 3HE MET 1 3HE MET 1 -14.684 -22.900 -3.256 877 H GLU 2 H GLU 2 -10.742 -18.131 -7.498 878 HA GLU 2 HA GLU 2 -10.524 -15.587 -6.274 879 1HB GLU 2 2HB GLU 2 -8.573 -16.934 -6.947 880 2HB GLU 2 1HB GLU 2 -9.005 -16.708 -8.636 881 1HG GLU 2 2HG GLU 2 -8.890 -14.137 -7.734 882 2HG GLU 2 1HG GLU 2 -7.622 -14.919 -6.792 883 H GLY 3 H GLY 3 -10.810 -13.530 -7.080 884 1HA GLY 3 2HA GLY 3 -11.320 -12.865 -9.755 885 2HA GLY 3 1HA GLY 3 -12.865 -13.142 -8.964 886 H VAL 4 H VAL 4 -13.797 -11.401 -8.149 887 HA VAL 4 HA VAL 4 -12.161 -9.022 -7.656 888 HB VAL 4 HB VAL 4 -15.172 -9.212 -7.769 889 1HG1 VAL 4 1HG1 VAL 4 -15.191 -6.861 -7.881 890 2HG1 VAL 4 2HG1 VAL 4 -13.453 -6.780 -8.168 891 3HG1 VAL 4 3HG1 VAL 4 -14.063 -7.258 -6.584 892 1HG2 VAL 4 1HG2 VAL 4 -14.782 -9.691 -9.943 893 2HG2 VAL 4 2HG2 VAL 4 -13.142 -9.044 -9.904 894 3HG2 VAL 4 3HG2 VAL 4 -14.517 -7.951 -10.049 895 H ASP 5 H ASP 5 -11.729 -8.337 -5.658 896 HA ASP 5 HA ASP 5 -13.429 -9.295 -3.451 897 1HB ASP 5 2HB ASP 5 -11.025 -10.300 -3.720 898 2HB ASP 5 1HB ASP 5 -10.506 -8.756 -3.051 899 HA PRO 6 HA PRO 6 -13.451 -4.654 -3.462 900 1HB PRO 6 2HB PRO 6 -15.911 -4.506 -2.250 901 2HB PRO 6 1HB PRO 6 -15.673 -4.569 -4.000 902 1HG PRO 6 2HG PRO 6 -16.373 -6.774 -2.101 903 2HG PRO 6 1HG PRO 6 -17.023 -6.437 -3.717 904 1HD PRO 6 2HD PRO 6 -15.189 -8.354 -3.311 905 2HD PRO 6 1HD PRO 6 -15.186 -7.362 -4.785 906 H ALA 7 H ALA 7 -12.465 -3.605 -1.856 907 HA ALA 7 HA ALA 7 -11.720 -3.023 0.223 908 1HB ALA 7 1HB ALA 7 -13.890 -4.455 1.638 909 2HB ALA 7 2HB ALA 7 -14.367 -3.165 0.534 910 3HB ALA 7 3HB ALA 7 -13.269 -2.821 1.869 911 H VAL 8 H VAL 8 -9.895 -4.355 0.094 912 HA VAL 8 HA VAL 8 -10.132 -7.003 1.350 913 HB VAL 8 HB VAL 8 -7.470 -6.332 0.315 914 1HG1 VAL 8 1HG1 VAL 8 -8.524 -8.574 1.016 915 2HG1 VAL 8 2HG1 VAL 8 -7.445 -8.524 -0.379 916 3HG1 VAL 8 3HG1 VAL 8 -9.191 -8.582 -0.617 917 1HG2 VAL 8 1HG2 VAL 8 -7.998 -6.515 -2.055 918 2HG2 VAL 8 2HG2 VAL 8 -8.694 -5.061 -1.341 919 3HG2 VAL 8 3HG2 VAL 8 -9.720 -6.455 -1.680 920 H GLU 9 H GLU 9 -7.865 -4.294 1.222 921 HA GLU 9 HA GLU 9 -7.144 -4.814 4.023 922 1HB GLU 9 2HB GLU 9 -5.402 -3.172 2.246 923 2HB GLU 9 1HB GLU 9 -4.970 -4.242 3.559 924 1HG GLU 9 2HG GLU 9 -5.905 -6.045 1.811 925 2HG GLU 9 1HG GLU 9 -5.313 -4.812 0.699 926 H GLU 10 H GLU 10 -9.182 -3.510 4.397 927 HA GLU 10 HA GLU 10 -9.458 -0.821 3.767 928 1HB GLU 10 2HB GLU 10 -10.955 -2.596 5.133 929 2HB GLU 10 1HB GLU 10 -10.333 -1.645 6.475 930 1HG GLU 10 2HG GLU 10 -11.124 0.297 4.738 931 2HG GLU 10 1HG GLU 10 -12.317 -0.966 4.441 932 H ALA 11 H ALA 11 -8.381 0.955 4.313 933 HA ALA 11 HA ALA 11 -6.570 0.834 6.632 934 1HB ALA 11 1HB ALA 11 -5.022 2.089 5.511 935 2HB ALA 11 2HB ALA 11 -6.231 2.887 4.505 936 3HB ALA 11 3HB ALA 11 -5.756 1.224 4.162 937 H ALA 12 H ALA 12 -6.186 2.879 7.761 938 HA ALA 12 HA ALA 12 -6.906 4.627 9.016 939 1HB ALA 12 1HB ALA 12 -6.813 5.971 7.106 940 2HB ALA 12 2HB ALA 12 -8.402 6.293 7.800 941 3HB ALA 12 3HB ALA 12 -8.250 5.226 6.404 942 H PHE 13 H PHE 13 -8.659 5.486 10.250 943 HA PHE 13 HA PHE 13 -11.222 4.111 10.024 944 1HB PHE 13 2HB PHE 13 -9.813 2.764 11.571 945 2HB PHE 13 1HB PHE 13 -9.656 4.178 12.610 946 HD1 PHE 13 1HD PHE 13 -11.154 4.476 14.335 947 HD2 PHE 13 2HD PHE 13 -12.255 2.021 11.038 948 HE1 PHE 13 1HE PHE 13 -13.231 3.855 15.497 949 HE2 PHE 13 2HE PHE 13 -14.335 1.395 12.194 950 HZ PHE 13 HZ PHE 13 -14.825 2.313 14.427 951 H VAL 14 H VAL 14 -9.976 6.943 9.847 952 HA VAL 14 HA VAL 14 -11.942 8.224 11.629 953 HB VAL 14 HB VAL 14 -9.322 9.465 10.790 954 1HG1 VAL 14 1HG1 VAL 14 -10.877 11.155 11.314 955 2HG1 VAL 14 2HG1 VAL 14 -9.886 10.963 12.760 956 3HG1 VAL 14 3HG1 VAL 14 -11.503 10.260 12.699 957 1HG2 VAL 14 1HG2 VAL 14 -8.654 9.074 13.183 958 2HG2 VAL 14 2HG2 VAL 14 -8.732 7.626 12.179 959 3HG2 VAL 14 3HG2 VAL 14 -10.033 7.984 13.314 960 H ALA 15 H ALA 15 -12.825 10.244 10.851 961 HA ALA 15 HA ALA 15 -13.877 11.506 9.277 962 1HB ALA 15 1HB ALA 15 -12.545 12.214 7.339 963 2HB ALA 15 2HB ALA 15 -11.346 10.978 7.721 964 3HB ALA 15 3HB ALA 15 -11.627 12.312 8.842 965 H ASP 16 H ASP 16 -14.990 9.141 9.332 966 HA ASP 16 HA ASP 16 -14.894 7.493 7.092 967 1HB ASP 16 2HB ASP 16 -17.164 6.760 7.757 968 2HB ASP 16 1HB ASP 16 -16.054 6.832 9.122 969 H ASP 17 H ASP 17 -16.458 10.574 7.559 970 HA ASP 17 HA ASP 17 -18.334 10.546 5.510 971 1HB ASP 17 2HB ASP 17 -16.821 12.664 6.947 972 2HB ASP 17 1HB ASP 17 -17.629 13.124 5.451 973 H VAL 18 H VAL 18 -14.937 11.592 5.387 974 HA VAL 18 HA VAL 18 -15.032 12.008 2.533 975 HB VAL 18 HB VAL 18 -12.571 11.894 4.273 976 1HG1 VAL 18 1HG1 VAL 18 -13.094 13.346 1.683 977 2HG1 VAL 18 2HG1 VAL 18 -12.241 11.808 1.824 978 3HG1 VAL 18 3HG1 VAL 18 -11.565 13.261 2.560 979 1HG2 VAL 18 1HG2 VAL 18 -12.777 14.292 4.565 980 2HG2 VAL 18 2HG2 VAL 18 -14.208 13.481 5.200 981 3HG2 VAL 18 3HG2 VAL 18 -14.278 14.299 3.640 982 H SER 19 H SER 19 -14.007 9.495 4.734 983 HA SER 19 HA SER 19 -12.379 7.998 3.039 984 1HB SER 19 2HB SER 19 -12.508 6.298 4.624 985 2HB SER 19 1HB SER 19 -12.902 7.725 5.581 986 HG SER 19 HG SER 19 -14.332 5.590 5.400 987 H ASN 20 H ASN 20 -15.896 7.905 3.479 988 HA ASN 20 HA ASN 20 -16.294 5.695 1.736 989 1HB ASN 20 2HB ASN 20 -18.652 6.184 1.908 990 2HB ASN 20 1HB ASN 20 -17.915 6.391 3.493 991 1HD2 ASN 20 1HD2 ASN 20 -18.245 8.237 4.529 992 2HD2 ASN 20 2HD2 ASN 20 -18.930 9.665 3.840 993 H ILE 21 H ILE 21 -16.529 9.198 1.280 994 HA ILE 21 HA ILE 21 -17.555 9.276 -1.307 995 HB ILE 21 HB ILE 21 -15.520 11.139 -0.057 996 1HG1 ILE 21 2HG1 ILE 21 -18.501 11.544 -0.218 997 2HG1 ILE 21 1HG1 ILE 21 -17.728 10.774 1.164 998 1HG2 ILE 21 1HG2 ILE 21 -16.377 12.825 -1.619 999 2HG2 ILE 21 2HG2 ILE 21 -17.363 11.590 -2.398 1000 3HG2 ILE 21 3HG2 ILE 21 -15.604 11.477 -2.449 1001 1HD1 ILE 21 1HD1 ILE 21 -17.805 13.595 0.371 1002 2HD1 ILE 21 2HD1 ILE 21 -16.240 13.017 0.944 1003 3HD1 ILE 21 3HD1 ILE 21 -17.666 12.863 1.970 1004 H ILE 22 H ILE 22 -14.112 9.356 -0.344 1005 HA ILE 22 HA ILE 22 -13.109 9.348 -2.945 1006 HB ILE 22 HB ILE 22 -10.965 8.623 -1.962 1007 1HG1 ILE 22 2HG1 ILE 22 -12.621 8.374 0.561 1008 2HG1 ILE 22 1HG1 ILE 22 -11.752 7.085 -0.260 1009 1HG2 ILE 22 1HG2 ILE 22 -12.375 10.996 -1.555 1010 2HG2 ILE 22 2HG2 ILE 22 -10.635 10.757 -1.417 1011 3HG2 ILE 22 3HG2 ILE 22 -11.659 10.617 0.010 1012 1HD1 ILE 22 1HD1 ILE 22 -10.815 8.406 1.880 1013 2HD1 ILE 22 2HD1 ILE 22 -10.109 9.372 0.589 1014 3HD1 ILE 22 3HD1 ILE 22 -9.788 7.644 0.670 1015 H LYS 23 H LYS 23 -13.615 6.586 -0.738 1016 HA LYS 23 HA LYS 23 -12.614 4.646 -2.504 1017 1HB LYS 23 2HB LYS 23 -14.446 4.564 -0.148 1018 2HB LYS 23 1HB LYS 23 -14.248 3.127 -1.139 1019 1HG LYS 23 2HG LYS 23 -11.876 3.135 -0.739 1020 2HG LYS 23 1HG LYS 23 -12.005 4.647 0.157 1021 1HD LYS 23 2HD LYS 23 -12.725 3.623 2.015 1022 2HD LYS 23 1HD LYS 23 -13.792 2.539 1.129 1023 1HE LYS 23 2HE LYS 23 -12.234 0.914 0.975 1024 2HE LYS 23 1HE LYS 23 -10.901 2.060 0.839 1025 1HZ LYS 23 1HZ LYS 23 -10.590 1.073 2.901 1026 2HZ LYS 23 2HZ LYS 23 -12.239 1.070 3.276 1027 3HZ LYS 23 3HZ LYS 23 -11.371 2.522 3.295 1028 H GLU 24 H GLU 24 -15.969 5.705 -1.922 1029 HA GLU 24 HA GLU 24 -17.193 4.070 -3.844 1030 1HB GLU 24 2HB GLU 24 -17.902 6.505 -2.343 1031 2HB GLU 24 1HB GLU 24 -18.718 6.370 -3.886 1032 1HG GLU 24 2HG GLU 24 -19.041 3.863 -2.880 1033 2HG GLU 24 1HG GLU 24 -19.081 4.846 -1.418 1034 H SER 25 H SER 25 -15.547 7.151 -4.073 1035 HA SER 25 HA SER 25 -16.224 7.710 -6.768 1036 1HB SER 25 2HB SER 25 -15.255 9.326 -5.013 1037 2HB SER 25 1HB SER 25 -13.687 8.623 -5.408 1038 HG SER 25 HG SER 25 -14.309 9.173 -7.671 1039 H ILE 26 H ILE 26 -13.480 6.073 -5.209 1040 HA ILE 26 HA ILE 26 -11.939 5.616 -7.507 1041 HB ILE 26 HB ILE 26 -11.994 4.619 -4.750 1042 1HG1 ILE 26 2HG1 ILE 26 -9.432 4.546 -5.445 1043 2HG1 ILE 26 1HG1 ILE 26 -10.034 5.522 -6.780 1044 1HG2 ILE 26 1HG2 ILE 26 -12.218 2.414 -5.720 1045 2HG2 ILE 26 2HG2 ILE 26 -10.572 2.634 -5.125 1046 3HG2 ILE 26 3HG2 ILE 26 -10.906 2.746 -6.853 1047 1HD1 ILE 26 1HD1 ILE 26 -11.135 6.936 -4.940 1048 2HD1 ILE 26 2HD1 ILE 26 -9.404 7.092 -5.219 1049 3HD1 ILE 26 3HD1 ILE 26 -9.998 6.132 -3.864 1050 H ASP 27 H ASP 27 -14.582 3.816 -6.081 1051 HA ASP 27 HA ASP 27 -14.487 1.547 -7.707 1052 1HB ASP 27 2HB ASP 27 -15.847 1.624 -5.702 1053 2HB ASP 27 1HB ASP 27 -16.795 2.948 -6.346 1054 H ALA 28 H ALA 28 -15.904 4.725 -8.199 1055 HA ALA 28 HA ALA 28 -17.087 3.953 -10.745 1056 1HB ALA 28 1HB ALA 28 -18.083 5.551 -8.964 1057 2HB ALA 28 2HB ALA 28 -18.272 5.930 -10.676 1058 3HB ALA 28 3HB ALA 28 -17.041 6.757 -9.718 1059 H VAL 29 H VAL 29 -14.450 5.990 -9.582 1060 HA VAL 29 HA VAL 29 -13.818 7.113 -12.093 1061 HB VAL 29 HB VAL 29 -12.832 7.238 -9.349 1062 1HG1 VAL 29 1HG1 VAL 29 -10.656 6.873 -9.745 1063 2HG1 VAL 29 2HG1 VAL 29 -10.733 8.531 -10.305 1064 3HG1 VAL 29 3HG1 VAL 29 -10.789 7.221 -11.467 1065 1HG2 VAL 29 1HG2 VAL 29 -12.324 9.572 -10.912 1066 2HG2 VAL 29 2HG2 VAL 29 -13.485 9.315 -9.614 1067 3HG2 VAL 29 3HG2 VAL 29 -13.922 8.933 -11.274 1068 H LEU 30 H LEU 30 -13.450 3.964 -10.991 1069 HA LEU 30 HA LEU 30 -11.359 3.485 -12.989 1070 1HB LEU 30 2HB LEU 30 -11.745 2.216 -10.299 1071 2HB LEU 30 1HB LEU 30 -10.838 1.414 -11.570 1072 HG LEU 30 HG LEU 30 -9.337 2.601 -10.050 1073 1HD1 LEU 30 1HD1 LEU 30 -8.858 2.438 -12.504 1074 2HD1 LEU 30 2HD1 LEU 30 -8.063 3.778 -11.675 1075 3HD1 LEU 30 3HD1 LEU 30 -9.493 4.073 -12.661 1076 1HD2 LEU 30 1HD2 LEU 30 -11.280 4.453 -9.823 1077 2HD2 LEU 30 2HD2 LEU 30 -10.217 5.253 -10.966 1078 3HD2 LEU 30 3HD2 LEU 30 -9.598 4.741 -9.399 1079 H GLN 31 H GLN 31 -14.406 2.364 -11.561 1080 HA GLN 31 HA GLN 31 -14.519 0.131 -13.420 1081 1HB GLN 31 2HB GLN 31 -15.367 0.176 -10.956 1082 2HB GLN 31 1HB GLN 31 -16.790 0.920 -11.657 1083 1HG GLN 31 2HG GLN 31 -17.247 -0.952 -12.992 1084 2HG GLN 31 1HG GLN 31 -15.687 -1.665 -12.618 1085 1HE2 GLN 31 1HE2 GLN 31 -18.220 -0.220 -10.612 1086 2HE2 GLN 31 2HE2 GLN 31 -18.423 -1.588 -9.577 1087 H ASN 32 H ASN 32 -15.463 3.414 -13.463 1088 HA ASN 32 HA ASN 32 -17.867 3.629 -14.656 1089 1HB ASN 32 2HB ASN 32 -16.978 5.534 -15.983 1090 2HB ASN 32 1HB ASN 32 -16.499 5.580 -14.293 1091 1HD2 ASN 32 1HD2 ASN 32 -14.382 5.595 -13.791 1092 2HD2 ASN 32 2HD2 ASN 32 -13.102 5.490 -14.945 1093 H GLN 33 H GLN 33 -15.035 2.235 -16.207 1094 HA GLN 33 HA GLN 33 -16.772 1.390 -18.393 1095 1HB GLN 33 2HB GLN 33 -15.776 3.412 -19.254 1096 2HB GLN 33 1HB GLN 33 -14.167 2.861 -18.816 1097 1HG GLN 33 2HG GLN 33 -14.511 2.619 -21.188 1098 2HG GLN 33 1HG GLN 33 -14.367 1.030 -20.437 1099 1HE2 GLN 33 1HE2 GLN 33 -16.887 3.407 -21.223 1100 2HE2 GLN 33 2HE2 GLN 33 -18.030 2.253 -21.811 1101 H GLN 34 H GLN 34 -13.241 1.145 -18.499 1102 HA GLN 34 HA GLN 34 -13.402 -1.643 -17.636 1103 1HB GLN 34 2HB GLN 34 -13.501 -1.082 -20.287 1104 2HB GLN 34 1HB GLN 34 -11.763 -1.202 -20.052 1105 1HG GLN 34 2HG GLN 34 -12.632 -3.408 -18.730 1106 2HG GLN 34 1HG GLN 34 -13.820 -3.282 -20.028 1107 1HE2 GLN 34 1HE2 GLN 34 -13.041 -3.239 -22.211 1108 2HE2 GLN 34 2HE2 GLN 34 -11.551 -4.015 -22.613 1109 H TYR 35 H TYR 35 -10.999 -2.586 -17.922 1110 HA TYR 35 HA TYR 35 -9.368 -0.869 -16.241 1111 1HB TYR 35 2HB TYR 35 -9.629 -3.189 -15.575 1112 2HB TYR 35 1HB TYR 35 -9.027 -3.739 -17.133 1113 HD1 TYR 35 1HD TYR 35 -8.147 -2.647 -13.810 1114 HD2 TYR 35 2HD TYR 35 -6.617 -3.349 -17.716 1115 HE1 TYR 35 1HE TYR 35 -5.864 -2.705 -12.898 1116 HE2 TYR 35 2HE TYR 35 -4.330 -3.410 -16.816 1117 HH TYR 35 HH TYR 35 -3.278 -2.225 -14.384 1118 H SER 36 H SER 36 -8.079 0.551 -17.186 1119 HA SER 36 HA SER 36 -6.439 -0.321 -19.465 1120 1HB SER 36 2HB SER 36 -7.881 2.328 -19.202 1121 2HB SER 36 1HB SER 36 -6.661 1.978 -20.425 1122 HG SER 36 HG SER 36 -9.135 1.600 -20.759 1123 H GLU 37 H GLU 37 -4.307 -0.018 -19.090 1124 HA GLU 37 HA GLU 37 -3.389 1.070 -16.663 1125 1HB GLU 37 2HB GLU 37 -2.126 -0.610 -17.954 1126 2HB GLU 37 1HB GLU 37 -1.803 0.600 -19.190 1127 1HG GLU 37 2HG GLU 37 -0.017 1.272 -18.080 1128 2HG GLU 37 1HG GLU 37 -1.022 1.695 -16.703 1129 H ALA 38 H ALA 38 -3.565 2.432 -19.922 1130 HA ALA 38 HA ALA 38 -2.140 4.794 -19.475 1131 1HB ALA 38 1HB ALA 38 -2.959 5.514 -21.494 1132 2HB ALA 38 2HB ALA 38 -4.562 4.836 -21.208 1133 3HB ALA 38 3HB ALA 38 -3.220 3.776 -21.641 1134 H LYS 39 H LYS 39 -5.345 3.848 -18.536 1135 HA LYS 39 HA LYS 39 -5.946 6.554 -17.605 1136 1HB LYS 39 2HB LYS 39 -7.554 4.178 -18.341 1137 2HB LYS 39 1HB LYS 39 -8.180 5.199 -17.065 1138 1HG LYS 39 2HG LYS 39 -9.156 6.150 -18.864 1139 2HG LYS 39 1HG LYS 39 -7.690 7.119 -18.752 1140 1HD LYS 39 2HD LYS 39 -8.073 6.465 -21.038 1141 2HD LYS 39 1HD LYS 39 -6.634 5.654 -20.421 1142 1HE LYS 39 2HE LYS 39 -7.516 3.711 -21.037 1143 2HE LYS 39 1HE LYS 39 -8.814 3.957 -19.870 1144 1HZ LYS 39 1HZ LYS 39 -8.835 4.939 -22.674 1145 2HZ LYS 39 2HZ LYS 39 -10.095 5.087 -21.553 1146 3HZ LYS 39 3HZ LYS 39 -9.644 3.559 -22.120 1147 H VAL 40 H VAL 40 -4.838 3.533 -16.463 1148 HA VAL 40 HA VAL 40 -5.893 3.263 -13.943 1149 HB VAL 40 HB VAL 40 -3.309 2.513 -15.210 1150 1HG1 VAL 40 1HG1 VAL 40 -2.239 3.039 -13.227 1151 2HG1 VAL 40 2HG1 VAL 40 -2.671 1.344 -13.000 1152 3HG1 VAL 40 3HG1 VAL 40 -3.636 2.609 -12.240 1153 1HG2 VAL 40 1HG2 VAL 40 -5.558 1.253 -15.165 1154 2HG2 VAL 40 2HG2 VAL 40 -5.063 0.769 -13.543 1155 3HG2 VAL 40 3HG2 VAL 40 -4.062 0.351 -14.932 1156 H SER 41 H SER 41 -3.692 5.701 -15.089 1157 HA SER 41 HA SER 41 -3.285 6.697 -12.357 1158 1HB SER 41 2HB SER 41 -1.945 7.860 -14.782 1159 2HB SER 41 1HB SER 41 -1.380 7.819 -13.113 1160 HG SER 41 HG SER 41 -1.065 5.981 -15.113 1161 H GLN 42 H GLN 42 -4.365 7.704 -15.581 1162 HA GLN 42 HA GLN 42 -5.058 10.338 -14.886 1163 1HB GLN 42 2HB GLN 42 -5.878 8.477 -17.090 1164 2HB GLN 42 1HB GLN 42 -6.737 9.997 -16.877 1165 1HG GLN 42 2HG GLN 42 -5.178 10.934 -18.137 1166 2HG GLN 42 1HG GLN 42 -4.069 10.722 -16.783 1167 1HE2 GLN 42 1HE2 GLN 42 -2.467 9.230 -16.913 1168 2HE2 GLN 42 2HE2 GLN 42 -2.143 8.286 -18.323 1169 H TRP 43 H TRP 43 -6.756 7.314 -14.507 1170 HA TRP 43 HA TRP 43 -9.316 8.327 -14.020 1171 1HB TRP 43 2HB TRP 43 -7.894 5.819 -13.263 1172 2HB TRP 43 1HB TRP 43 -9.423 6.185 -12.485 1173 HD1 TRP 43 HD TRP 43 -8.559 3.874 -14.744 1174 HE1 TRP 43 1HE TRP 43 -10.166 3.565 -16.703 1175 HE3 TRP 43 3HE TRP 43 -11.147 8.297 -14.441 1176 HZ2 TRP 43 2HZ TRP 43 -12.258 4.958 -17.967 1177 HZ3 TRP 43 3HZ TRP 43 -12.935 8.713 -16.066 1178 HH2 TRP 43 HH TRP 43 -13.484 7.077 -17.791 1179 H THR 44 H THR 44 -6.797 7.378 -11.696 1180 HA THR 44 HA THR 44 -8.145 8.125 -9.399 1181 HB THR 44 HB THR 44 -5.764 6.966 -9.881 1182 HG1 THR 44 1HG THR 44 -6.136 6.524 -7.898 1183 1HG2 THR 44 1HG2 THR 44 -4.860 9.484 -10.069 1184 2HG2 THR 44 2HG2 THR 44 -3.909 8.143 -9.433 1185 3HG2 THR 44 3HG2 THR 44 -4.738 9.238 -8.328 1186 H SER 45 H SER 45 -6.661 10.118 -11.779 1187 HA SER 45 HA SER 45 -6.483 12.478 -10.161 1188 1HB SER 45 2HB SER 45 -5.763 11.730 -12.831 1189 2HB SER 45 1HB SER 45 -6.779 13.167 -12.915 1190 HG SER 45 HG SER 45 -4.217 12.905 -12.048 1191 H SER 46 H SER 46 -8.774 10.991 -12.361 1192 HA SER 46 HA SER 46 -10.730 13.036 -12.334 1193 1HB SER 46 2HB SER 46 -10.554 10.248 -13.243 1194 2HB SER 46 1HB SER 46 -12.164 10.713 -12.696 1195 HG SER 46 HG SER 46 -10.681 11.629 -14.869 1196 H CYS 47 H CYS 47 -9.956 10.362 -10.218 1197 HA CYS 47 HA CYS 47 -12.295 10.469 -8.620 1198 1HB CYS 47 2HB CYS 47 -9.973 8.900 -8.650 1199 2HB CYS 47 1HB CYS 47 -9.897 9.762 -7.134 1200 HG CYS 47 HG CYS 47 -12.523 8.282 -7.676 1201 H LEU 48 H LEU 48 -9.177 12.043 -8.564 1202 HA LEU 48 HA LEU 48 -9.462 13.436 -6.148 1203 1HB LEU 48 2HB LEU 48 -7.717 13.536 -8.520 1204 2HB LEU 48 1HB LEU 48 -7.879 15.063 -7.684 1205 HG LEU 48 HG LEU 48 -6.608 14.407 -5.946 1206 1HD1 LEU 48 1HD1 LEU 48 -8.050 11.825 -6.155 1207 2HD1 LEU 48 2HD1 LEU 48 -7.767 12.856 -4.759 1208 3HD1 LEU 48 3HD1 LEU 48 -6.478 11.821 -5.358 1209 1HD2 LEU 48 1HD2 LEU 48 -5.013 12.464 -6.702 1210 2HD2 LEU 48 2HD2 LEU 48 -4.983 14.031 -7.509 1211 3HD2 LEU 48 3HD2 LEU 48 -5.845 12.678 -8.241 1212 H GLU 49 H GLU 49 -10.468 14.162 -9.455 1213 HA GLU 49 HA GLU 49 -11.382 16.773 -8.668 1214 1HB GLU 49 2HB GLU 49 -10.685 16.129 -11.047 1215 2HB GLU 49 1HB GLU 49 -12.299 15.424 -11.176 1216 1HG GLU 49 2HG GLU 49 -13.073 17.698 -10.233 1217 2HG GLU 49 1HG GLU 49 -11.517 18.279 -10.787 1218 H HIS 50 H HIS 50 -12.702 13.571 -8.954 1219 HA HIS 50 HA HIS 50 -15.410 14.476 -8.399 1220 1HB HIS 50 2HB HIS 50 -14.176 11.741 -8.772 1221 2HB HIS 50 1HB HIS 50 -15.857 11.968 -8.307 1222 HD1 HIS 50 1HD HIS 50 -17.201 13.626 -10.113 1223 HD2 HIS 50 2HD HIS 50 -13.851 11.558 -11.442 1224 HE1 HIS 50 1HE HIS 50 -17.387 13.587 -12.621 1225 HE2 HIS 50 2HE HIS 50 -15.307 12.402 -13.407 1226 H CYS 51 H CYS 51 -12.773 14.400 -6.574 1227 HA CYS 51 HA CYS 51 -14.058 13.379 -4.138 1228 1HB CYS 51 2HB CYS 51 -11.234 13.439 -5.161 1229 2HB CYS 51 1HB CYS 51 -11.464 13.624 -3.437 1230 HG CYS 51 HG CYS 51 -11.132 11.103 -4.006 1231 H ILE 52 H ILE 52 -11.824 15.774 -5.438 1232 HA ILE 52 HA ILE 52 -11.950 17.646 -3.377 1233 HB ILE 52 HB ILE 52 -10.319 17.540 -5.275 1234 1HG1 ILE 52 2HG1 ILE 52 -10.401 19.462 -3.807 1235 2HG1 ILE 52 1HG1 ILE 52 -9.922 19.888 -5.444 1236 1HG2 ILE 52 1HG2 ILE 52 -12.240 17.437 -6.996 1237 2HG2 ILE 52 2HG2 ILE 52 -10.739 18.268 -7.399 1238 3HG2 ILE 52 3HG2 ILE 52 -12.155 19.196 -6.910 1239 1HD1 ILE 52 1HD1 ILE 52 -12.270 20.653 -3.899 1240 2HD1 ILE 52 2HD1 ILE 52 -12.548 20.297 -5.604 1241 3HD1 ILE 52 3HD1 ILE 52 -11.380 21.535 -5.137 1242 H LYS 53 H LYS 53 -14.027 17.159 -6.204 1243 HA LYS 53 HA LYS 53 -15.530 19.552 -5.859 1244 1HB LYS 53 2HB LYS 53 -15.789 17.085 -7.503 1245 2HB LYS 53 1HB LYS 53 -17.248 18.017 -7.234 1246 1HG LYS 53 2HG LYS 53 -16.053 18.560 -9.344 1247 2HG LYS 53 1HG LYS 53 -16.307 19.938 -8.287 1248 1HD LYS 53 2HD LYS 53 -13.787 18.558 -7.828 1249 2HD LYS 53 1HD LYS 53 -13.937 19.244 -9.441 1250 1HE LYS 53 2HE LYS 53 -14.352 20.752 -6.865 1251 2HE LYS 53 1HE LYS 53 -12.894 20.805 -7.852 1252 1HZ LYS 53 1HZ LYS 53 -14.931 22.522 -8.082 1253 2HZ LYS 53 2HZ LYS 53 -15.351 21.390 -9.267 1254 3HZ LYS 53 3HZ LYS 53 -13.849 22.166 -9.333 1255 H ARG 54 H ARG 54 -15.771 16.291 -4.627 1256 HA ARG 54 HA ARG 54 -18.405 16.640 -3.535 1257 1HB ARG 54 2HB ARG 54 -17.120 14.441 -4.191 1258 2HB ARG 54 1HB ARG 54 -16.535 14.546 -2.536 1259 1HG ARG 54 2HG ARG 54 -18.391 13.284 -2.189 1260 2HG ARG 54 1HG ARG 54 -19.108 14.888 -2.033 1261 1HD ARG 54 2HD ARG 54 -18.980 13.477 -4.668 1262 2HD ARG 54 1HD ARG 54 -20.284 13.175 -3.531 1263 HE ARG 54 HE ARG 54 -19.883 15.537 -5.130 1264 1HH1 ARG 54 1HH1 ARG 54 -21.458 14.210 -2.300 1265 2HH1 ARG 54 2HH1 ARG 54 -22.703 15.413 -2.283 1266 1HH2 ARG 54 1HH2 ARG 54 -21.520 17.111 -5.098 1267 2HH2 ARG 54 2HH2 ARG 54 -22.738 17.057 -3.867 1268 H LEU 55 H LEU 55 -15.111 16.687 -2.286 1269 HA LEU 55 HA LEU 55 -15.623 16.916 0.431 1270 1HB LEU 55 2HB LEU 55 -13.408 17.755 -1.387 1271 2HB LEU 55 1HB LEU 55 -13.425 18.455 0.216 1272 HG LEU 55 HG LEU 55 -12.005 16.657 0.493 1273 1HD1 LEU 55 1HD1 LEU 55 -14.442 15.076 1.039 1274 2HD1 LEU 55 2HD1 LEU 55 -14.208 16.597 1.901 1275 3HD1 LEU 55 3HD1 LEU 55 -12.999 15.318 2.023 1276 1HD2 LEU 55 1HD2 LEU 55 -12.357 15.703 -1.748 1277 2HD2 LEU 55 2HD2 LEU 55 -13.828 14.927 -1.162 1278 3HD2 LEU 55 3HD2 LEU 55 -12.264 14.473 -0.488 1279 H THR 56 H THR 56 -15.417 19.344 -2.064 1280 HA THR 56 HA THR 56 -16.014 21.522 -0.295 1281 HB THR 56 HB THR 56 -15.774 22.907 -2.204 1282 HG1 THR 56 1HG THR 56 -15.981 20.613 -3.852 1283 1HG2 THR 56 1HG2 THR 56 -13.601 22.294 -1.861 1284 2HG2 THR 56 2HG2 THR 56 -13.822 21.721 -3.508 1285 3HG2 THR 56 3HG2 THR 56 -13.901 20.590 -2.163 1286 H ALA 57 H ALA 57 -17.766 19.299 -2.318 1287 HA ALA 57 HA ALA 57 -20.169 20.735 -2.640 1288 1HB ALA 57 1HB ALA 57 -19.720 18.742 -3.952 1289 2HB ALA 57 2HB ALA 57 -21.191 18.503 -3.010 1290 3HB ALA 57 3HB ALA 57 -19.681 17.755 -2.492 1291 H LEU 58 H LEU 58 -18.848 18.768 -0.059 1292 HA LEU 58 HA LEU 58 -21.273 19.055 1.539 1293 1HB LEU 58 2HB LEU 58 -18.980 17.229 1.465 1294 2HB LEU 58 1HB LEU 58 -19.446 17.704 3.083 1295 HG LEU 58 HG LEU 58 -21.788 16.960 2.536 1296 1HD1 LEU 58 1HD1 LEU 58 -20.462 15.652 0.168 1297 2HD1 LEU 58 2HD1 LEU 58 -21.487 17.084 0.068 1298 3HD1 LEU 58 3HD1 LEU 58 -22.160 15.555 0.634 1299 1HD2 LEU 58 1HD2 LEU 58 -21.036 14.454 2.472 1300 2HD2 LEU 58 2HD2 LEU 58 -20.694 15.456 3.883 1301 3HD2 LEU 58 3HD2 LEU 58 -19.428 15.144 2.694 1302 H ASN 59 H ASN 59 -18.081 20.348 1.178 1303 HA ASN 59 HA ASN 59 -16.828 21.821 2.338 1304 1HB ASN 59 2HB ASN 59 -17.971 23.839 3.059 1305 2HB ASN 59 1HB ASN 59 -18.639 23.274 1.533 1306 1HD2 ASN 59 1HD2 ASN 59 -20.707 22.345 1.513 1307 2HD2 ASN 59 2HD2 ASN 59 -21.833 22.632 2.791 1308 H LYS 60 H LYS 60 -15.837 20.636 3.880 1309 HA LYS 60 HA LYS 60 -16.286 21.312 6.562 1310 1HB LYS 60 2HB LYS 60 -18.213 19.825 6.390 1311 2HB LYS 60 1HB LYS 60 -17.180 18.529 5.800 1312 1HG LYS 60 2HG LYS 60 -16.417 19.690 8.396 1313 2HG LYS 60 1HG LYS 60 -17.940 18.801 8.363 1314 1HD LYS 60 2HD LYS 60 -16.317 17.126 6.966 1315 2HD LYS 60 1HD LYS 60 -15.177 17.832 8.112 1316 1HE LYS 60 2HE LYS 60 -17.761 16.420 8.762 1317 2HE LYS 60 1HE LYS 60 -16.128 15.820 9.049 1318 1HZ LYS 60 1HZ LYS 60 -17.479 18.094 10.385 1319 2HZ LYS 60 2HZ LYS 60 -15.818 17.806 10.519 1320 3HZ LYS 60 3HZ LYS 60 -16.922 16.659 11.089 1321 HA PRO 61 HA PRO 61 -14.936 22.112 7.588 1322 1HB PRO 61 2HB PRO 61 -12.499 23.180 8.051 1323 2HB PRO 61 1HB PRO 61 -13.241 21.966 9.088 1324 1HG PRO 61 2HG PRO 61 -10.985 21.707 7.231 1325 2HG PRO 61 1HG PRO 61 -11.443 20.678 8.594 1326 1HD PRO 61 2HD PRO 61 -11.892 20.222 5.806 1327 2HD PRO 61 1HD PRO 61 -12.364 19.196 7.171 1328 H PHE 62 H PHE 62 -11.892 22.893 5.915 1329 HA PHE 62 HA PHE 62 -13.377 24.428 3.918 1330 1HB PHE 62 2HB PHE 62 -12.373 25.683 6.144 1331 2HB PHE 62 1HB PHE 62 -11.062 25.889 4.987 1332 HD1 PHE 62 1HD PHE 62 -14.681 26.463 5.512 1333 HD2 PHE 62 2HD PHE 62 -11.208 27.482 3.276 1334 HE1 PHE 62 1HE PHE 62 -15.900 28.335 4.481 1335 HE2 PHE 62 2HE PHE 62 -12.418 29.356 2.241 1336 HZ PHE 62 HZ PHE 62 -14.768 29.786 2.844 1337 H LYS 63 H LYS 63 -9.960 24.188 4.937 1338 HA LYS 63 HA LYS 63 -9.166 23.818 2.172 1339 1HB LYS 63 2HB LYS 63 -7.524 23.943 4.709 1340 2HB LYS 63 1HB LYS 63 -6.860 23.867 3.083 1341 1HG LYS 63 2HG LYS 63 -7.839 26.008 2.542 1342 2HG LYS 63 1HG LYS 63 -8.620 26.076 4.124 1343 1HD LYS 63 2HD LYS 63 -6.191 25.804 5.027 1344 2HD LYS 63 1HD LYS 63 -5.728 26.365 3.420 1345 1HE LYS 63 2HE LYS 63 -6.982 28.397 3.711 1346 2HE LYS 63 1HE LYS 63 -7.636 27.821 5.244 1347 1HZ LYS 63 1HZ LYS 63 -5.341 27.793 6.110 1348 2HZ LYS 63 2HZ LYS 63 -5.858 29.342 5.670 1349 3HZ LYS 63 3HZ LYS 63 -4.801 28.487 4.665 1350 H TYR 64 H TYR 64 -9.333 21.842 1.304 1351 HA TYR 64 HA TYR 64 -8.585 19.542 3.001 1352 1HB TYR 64 2HB TYR 64 -10.266 18.867 0.695 1353 2HB TYR 64 1HB TYR 64 -10.411 18.376 2.375 1354 HD1 TYR 64 1HD TYR 64 -11.429 20.826 -0.145 1355 HD2 TYR 64 2HD TYR 64 -11.808 19.634 3.919 1356 HE1 TYR 64 1HE TYR 64 -13.371 22.312 0.104 1357 HE2 TYR 64 2HE TYR 64 -13.752 21.116 4.179 1358 HH TYR 64 HH TYR 64 -15.254 22.681 1.477 1359 H VAL 65 H VAL 65 -7.378 17.882 2.110 1360 HA VAL 65 HA VAL 65 -6.074 18.534 -0.438 1361 HB VAL 65 HB VAL 65 -4.969 17.741 2.095 1362 1HG1 VAL 65 1HG1 VAL 65 -3.179 16.203 1.053 1363 2HG1 VAL 65 2HG1 VAL 65 -4.386 15.871 -0.179 1364 3HG1 VAL 65 3HG1 VAL 65 -4.723 15.485 1.508 1365 1HG2 VAL 65 1HG2 VAL 65 -3.827 18.651 -0.497 1366 2HG2 VAL 65 2HG2 VAL 65 -2.839 18.330 0.929 1367 3HG2 VAL 65 3HG2 VAL 65 -4.084 19.578 0.980 1368 H VAL 66 H VAL 66 -6.011 16.970 -2.047 1369 HA VAL 66 HA VAL 66 -7.273 14.392 -1.413 1370 HB VAL 66 HB VAL 66 -7.879 15.557 -4.081 1371 1HG1 VAL 66 1HG1 VAL 66 -9.538 14.018 -4.105 1372 2HG1 VAL 66 2HG1 VAL 66 -9.864 14.175 -2.379 1373 3HG1 VAL 66 3HG1 VAL 66 -8.479 13.235 -2.932 1374 1HG2 VAL 66 1HG2 VAL 66 -8.407 17.415 -2.545 1375 2HG2 VAL 66 2HG2 VAL 66 -9.440 16.331 -1.613 1376 3HG2 VAL 66 3HG2 VAL 66 -9.853 16.724 -3.283 1377 H THR 67 H THR 67 -5.641 12.965 -1.719 1378 HA THR 67 HA THR 67 -4.401 12.960 -4.373 1379 HB THR 67 HB THR 67 -2.696 13.996 -3.069 1380 HG1 THR 67 1HG THR 67 -1.842 12.446 -4.399 1381 1HG2 THR 67 1HG2 THR 67 -2.106 11.917 -1.176 1382 2HG2 THR 67 2HG2 THR 67 -3.716 12.585 -0.909 1383 3HG2 THR 67 3HG2 THR 67 -2.310 13.650 -0.922 1384 H CYS 68 H CYS 68 -4.196 11.001 -5.291 1385 HA CYS 68 HA CYS 68 -4.569 8.644 -3.589 1386 1HB CYS 68 2HB CYS 68 -6.741 9.253 -4.648 1387 2HB CYS 68 1HB CYS 68 -5.996 9.044 -6.219 1388 HG CYS 68 HG CYS 68 -5.608 6.465 -5.371 1389 H ILE 69 H ILE 69 -3.207 7.068 -3.958 1390 HA ILE 69 HA ILE 69 -1.540 7.169 -6.377 1391 HB ILE 69 HB ILE 69 -0.981 5.819 -3.733 1392 1HG1 ILE 69 2HG1 ILE 69 0.776 8.004 -4.555 1393 2HG1 ILE 69 1HG1 ILE 69 -0.884 8.519 -4.277 1394 1HG2 ILE 69 1HG2 ILE 69 0.349 4.587 -5.074 1395 2HG2 ILE 69 2HG2 ILE 69 1.416 5.979 -4.886 1396 3HG2 ILE 69 3HG2 ILE 69 0.414 5.823 -6.329 1397 1HD1 ILE 69 1HD1 ILE 69 0.827 7.009 -2.318 1398 2HD1 ILE 69 2HD1 ILE 69 -0.818 7.583 -2.043 1399 3HD1 ILE 69 3HD1 ILE 69 0.492 8.740 -2.278 1400 H ILE 70 H ILE 70 -1.342 5.363 -7.671 1401 HA ILE 70 HA ILE 70 -3.268 3.211 -7.127 1402 HB ILE 70 HB ILE 70 -3.160 2.692 -9.517 1403 1HG1 ILE 70 2HG1 ILE 70 -1.981 4.910 -10.703 1404 2HG1 ILE 70 1HG1 ILE 70 -0.871 4.506 -9.398 1405 1HG2 ILE 70 1HG2 ILE 70 -4.666 4.286 -10.083 1406 2HG2 ILE 70 2HG2 ILE 70 -3.636 5.611 -9.542 1407 3HG2 ILE 70 3HG2 ILE 70 -4.542 4.662 -8.364 1408 1HD1 ILE 70 1HD1 ILE 70 -0.154 2.656 -10.420 1409 2HD1 ILE 70 2HD1 ILE 70 -0.825 3.407 -11.868 1410 3HD1 ILE 70 3HD1 ILE 70 -1.769 2.213 -10.976 1411 H MET 71 H MET 71 -2.606 1.220 -6.687 1412 HA MET 71 HA MET 71 0.242 0.587 -7.061 1413 1HB MET 71 2HB MET 71 -1.450 0.328 -4.819 1414 2HB MET 71 1HB MET 71 -1.144 -1.309 -5.383 1415 1HG MET 71 2HG MET 71 1.332 -0.570 -5.434 1416 2HG MET 71 1HG MET 71 0.788 0.733 -4.380 1417 1HE MET 71 1HE MET 71 2.584 -2.143 -4.495 1418 2HE MET 71 2HE MET 71 1.280 -3.331 -4.526 1419 3HE MET 71 3HE MET 71 2.264 -3.138 -3.075 1420 H GLN 72 H GLN 72 0.536 -0.486 -8.906 1421 HA GLN 72 HA GLN 72 -1.515 -2.268 -9.926 1422 1HB GLN 72 2HB GLN 72 -0.344 -0.715 -11.445 1423 2HB GLN 72 1HB GLN 72 1.174 -1.528 -11.091 1424 1HG GLN 72 2HG GLN 72 -0.383 -3.610 -11.883 1425 2HG GLN 72 1HG GLN 72 -1.006 -2.298 -12.881 1426 1HE2 GLN 72 1HE2 GLN 72 1.268 -0.818 -13.289 1427 2HE2 GLN 72 2HE2 GLN 72 2.393 -1.733 -14.229 1428 H LYS 73 H LYS 73 -1.340 -4.457 -10.173 1429 HA LYS 73 HA LYS 73 -0.685 -6.586 -9.721 1430 1HB LYS 73 2HB LYS 73 1.926 -5.182 -10.103 1431 2HB LYS 73 1HB LYS 73 1.930 -6.836 -9.508 1432 1HG LYS 73 2HG LYS 73 0.377 -6.137 -11.959 1433 2HG LYS 73 1HG LYS 73 2.122 -6.381 -12.050 1434 1HD LYS 73 2HD LYS 73 1.820 -8.604 -10.998 1435 2HD LYS 73 1HD LYS 73 0.074 -8.355 -11.045 1436 1HE LYS 73 2HE LYS 73 1.879 -8.349 -13.460 1437 2HE LYS 73 1HE LYS 73 0.925 -9.732 -12.923 1438 1HZ LYS 73 1HZ LYS 73 -0.490 -8.824 -14.433 1439 2HZ LYS 73 2HZ LYS 73 0.044 -7.240 -14.178 1440 3HZ LYS 73 3HZ LYS 73 -0.995 -7.970 -13.062 1441 H ASN 74 H ASN 74 0.936 -7.853 -8.104 1442 HA ASN 74 HA ASN 74 0.764 -6.517 -5.487 1443 1HB ASN 74 2HB ASN 74 0.122 -8.747 -4.521 1444 2HB ASN 74 1HB ASN 74 -1.102 -8.024 -5.560 1445 1HD2 ASN 74 1HD2 ASN 74 -1.062 -8.743 -7.849 1446 2HD2 ASN 74 2HD2 ASN 74 -0.721 -10.408 -8.159 1447 H GLY 75 H GLY 75 3.058 -6.692 -7.141 1448 1HA GLY 75 2HA GLY 75 4.793 -8.214 -5.336 1449 2HA GLY 75 1HA GLY 75 4.897 -8.559 -7.056 1450 H ALA 76 H ALA 76 4.367 -5.394 -5.596 1451 HA ALA 76 HA ALA 76 7.056 -4.592 -6.494 1452 1HB ALA 76 1HB ALA 76 4.422 -3.269 -7.012 1453 2HB ALA 76 2HB ALA 76 5.736 -3.624 -8.134 1454 3HB ALA 76 3HB ALA 76 5.907 -2.319 -6.960 1455 H GLY 77 H GLY 77 8.217 -3.353 -5.114 1456 1HA GLY 77 2HA GLY 77 7.100 -2.955 -2.453 1457 2HA GLY 77 1HA GLY 77 8.787 -2.775 -2.913 1458 H LEU 78 H LEU 78 6.319 -1.096 -1.730 1459 HA LEU 78 HA LEU 78 7.311 1.410 -2.879 1460 1HB LEU 78 2HB LEU 78 5.214 0.807 -4.037 1461 2HB LEU 78 1HB LEU 78 4.389 0.768 -2.489 1462 HG LEU 78 HG LEU 78 5.775 3.268 -3.388 1463 1HD1 LEU 78 1HD1 LEU 78 3.787 4.026 -4.490 1464 2HD1 LEU 78 2HD1 LEU 78 2.940 2.532 -4.089 1465 3HD1 LEU 78 3HD1 LEU 78 4.289 2.504 -5.225 1466 1HD2 LEU 78 1HD2 LEU 78 3.672 4.126 -2.084 1467 2HD2 LEU 78 2HD2 LEU 78 5.092 3.544 -1.214 1468 3HD2 LEU 78 3HD2 LEU 78 3.686 2.497 -1.406 1469 H HIS 79 H HIS 79 8.399 1.985 -1.041 1470 HA HIS 79 HA HIS 79 6.834 2.189 1.442 1471 1HB HIS 79 2HB HIS 79 9.766 1.872 0.894 1472 2HB HIS 79 1HB HIS 79 9.227 2.579 2.413 1473 HD1 HIS 79 1HD HIS 79 10.253 -0.524 1.163 1474 HD2 HIS 79 2HD HIS 79 7.076 0.674 3.559 1475 HE1 HIS 79 1HE HIS 79 9.508 -2.596 2.378 1476 HE2 HIS 79 2HE HIS 79 7.645 -1.828 3.890 1477 H THR 80 H THR 80 6.324 4.131 2.237 1478 HA THR 80 HA THR 80 7.712 6.492 1.151 1479 HB THR 80 HB THR 80 4.759 6.243 1.754 1480 HG1 THR 80 1HG THR 80 4.478 5.975 -0.327 1481 1HG2 THR 80 1HG2 THR 80 4.892 8.446 0.290 1482 2HG2 THR 80 2HG2 THR 80 6.464 8.561 1.080 1483 3HG2 THR 80 3HG2 THR 80 4.994 8.471 2.051 1484 H ALA 81 H ALA 81 7.817 8.333 2.525 1485 HA ALA 81 HA ALA 81 7.154 7.873 5.349 1486 1HB ALA 81 1HB ALA 81 9.803 9.046 4.550 1487 2HB ALA 81 2HB ALA 81 9.588 7.319 4.844 1488 3HB ALA 81 3HB ALA 81 9.287 8.479 6.138 1489 H ALA 82 H ALA 82 6.783 9.792 6.544 1490 HA ALA 82 HA ALA 82 7.095 12.335 5.245 1491 1HB ALA 82 1HB ALA 82 5.011 11.278 4.269 1492 2HB ALA 82 2HB ALA 82 4.864 12.912 4.915 1493 3HB ALA 82 3HB ALA 82 4.279 11.537 5.852 1494 H SER 83 H SER 83 7.376 13.888 6.623 1495 HA SER 83 HA SER 83 6.345 13.617 9.361 1496 1HB SER 83 2HB SER 83 8.884 13.175 9.048 1497 2HB SER 83 1HB SER 83 9.003 14.909 8.752 1498 HG SER 83 HG SER 83 8.311 13.540 11.102 1499 H CYS 84 H CYS 84 4.952 15.227 9.696 1500 HA CYS 84 HA CYS 84 5.288 17.717 8.186 1501 1HB CYS 84 2HB CYS 84 2.841 16.878 9.693 1502 2HB CYS 84 1HB CYS 84 2.966 18.109 8.450 1503 HG CYS 84 HG CYS 84 3.472 15.201 7.562 1504 H TRP 85 H TRP 85 4.915 19.749 9.233 1505 HA TRP 85 HA TRP 85 6.161 19.853 11.811 1506 1HB TRP 85 2HB TRP 85 6.003 21.589 9.711 1507 2HB TRP 85 1HB TRP 85 4.844 22.301 10.831 1508 HD1 TRP 85 HD TRP 85 8.280 20.660 11.531 1509 HE1 TRP 85 1HE TRP 85 9.693 22.319 12.881 1510 HE3 TRP 85 3HE TRP 85 5.015 24.591 11.651 1511 HZ2 TRP 85 2HZ TRP 85 9.464 24.958 13.873 1512 HZ3 TRP 85 3HZ TRP 85 5.690 26.647 12.822 1513 HH2 TRP 85 HH TRP 85 7.868 26.826 13.910 1514 H TRP 86 H TRP 86 4.845 21.918 13.115 1515 HA TRP 86 HA TRP 86 2.583 20.463 14.202 1516 1HB TRP 86 2HB TRP 86 3.668 23.119 15.137 1517 2HB TRP 86 1HB TRP 86 2.682 21.979 16.048 1518 HD1 TRP 86 HD TRP 86 5.979 23.140 16.228 1519 HE1 TRP 86 1HE TRP 86 7.658 21.359 17.027 1520 HE3 TRP 86 3HE TRP 86 3.166 18.949 15.414 1521 HZ2 TRP 86 2HZ TRP 86 7.773 18.551 17.278 1522 HZ3 TRP 86 3HZ TRP 86 4.134 16.753 15.960 1523 HH2 TRP 86 HH TRP 86 6.390 16.560 16.873 1524 H ASP 87 H ASP 87 0.484 21.037 14.118 1525 HA ASP 87 HA ASP 87 -0.589 23.541 13.592 1526 1HB ASP 87 2HB ASP 87 0.575 22.686 11.282 1527 2HB ASP 87 1HB ASP 87 -1.056 22.052 11.083 1528 H SER 88 H SER 88 -2.260 23.101 14.906 1529 HA SER 88 HA SER 88 -3.672 20.589 14.774 1530 1HB SER 88 2HB SER 88 -3.976 23.069 16.460 1531 2HB SER 88 1HB SER 88 -5.147 21.752 16.527 1532 HG SER 88 HG SER 88 -3.548 20.383 17.237 1533 H THR 89 H THR 89 -4.136 23.856 13.632 1534 HA THR 89 HA THR 89 -6.902 23.688 13.084 1535 HB THR 89 HB THR 89 -5.791 25.836 13.209 1536 HG1 THR 89 1HG THR 89 -7.510 26.043 11.924 1537 1HG2 THR 89 1HG2 THR 89 -4.488 25.558 10.571 1538 2HG2 THR 89 2HG2 THR 89 -3.678 24.837 11.961 1539 3HG2 THR 89 3HG2 THR 89 -4.056 26.560 11.955 1540 H THR 90 H THR 90 -4.047 23.096 11.058 1541 HA THR 90 HA THR 90 -5.784 21.994 8.981 1542 HB THR 90 HB THR 90 -4.021 22.414 7.429 1543 HG1 THR 90 1HG THR 90 -2.047 22.194 8.037 1544 1HG2 THR 90 1HG2 THR 90 -5.014 24.522 8.948 1545 2HG2 THR 90 2HG2 THR 90 -4.267 24.600 7.351 1546 3HG2 THR 90 3HG2 THR 90 -3.282 24.816 8.798 1547 H ASP 91 H ASP 91 -5.918 20.196 10.712 1548 HA ASP 91 HA ASP 91 -3.861 18.210 10.050 1549 1HB ASP 91 2HB ASP 91 -3.867 19.367 12.477 1550 2HB ASP 91 1HB ASP 91 -5.017 18.068 12.777 1551 H GLY 92 H GLY 92 -5.110 17.040 8.669 1552 1HA GLY 92 2HA GLY 92 -7.138 15.367 9.888 1553 2HA GLY 92 1HA GLY 92 -7.733 16.434 8.627 1554 H SER 93 H SER 93 -4.502 15.191 8.389 1555 HA SER 93 HA SER 93 -4.997 14.023 5.874 1556 1HB SER 93 2HB SER 93 -2.602 13.476 7.617 1557 2HB SER 93 1HB SER 93 -2.692 13.427 5.856 1558 HG SER 93 HG SER 93 -1.727 15.362 6.682 1559 H ARG 94 H ARG 94 -6.053 12.209 5.479 1560 HA ARG 94 HA ARG 94 -5.434 9.842 7.103 1561 1HB ARG 94 2HB ARG 94 -8.099 11.096 6.725 1562 2HB ARG 94 1HB ARG 94 -8.032 9.344 6.606 1563 1HG ARG 94 2HG ARG 94 -6.958 10.907 8.941 1564 2HG ARG 94 1HG ARG 94 -8.580 10.214 8.872 1565 1HD ARG 94 2HD ARG 94 -7.656 7.990 8.645 1566 2HD ARG 94 1HD ARG 94 -6.022 8.644 8.583 1567 HE ARG 94 HE ARG 94 -7.333 9.431 10.970 1568 1HH1 ARG 94 1HH1 ARG 94 -5.771 6.684 9.468 1569 2HH1 ARG 94 2HH1 ARG 94 -5.314 5.968 10.976 1570 1HH2 ARG 94 1HH2 ARG 94 -6.726 8.483 12.947 1571 2HH2 ARG 94 2HH2 ARG 94 -5.854 6.987 12.948 1572 H THR 95 H THR 95 -5.185 7.988 5.914 1573 HA THR 95 HA THR 95 -5.640 8.253 3.029 1574 HB THR 95 HB THR 95 -3.283 7.905 3.929 1575 HG1 THR 95 1HG THR 95 -4.371 6.156 1.985 1576 1HG2 THR 95 1HG2 THR 95 -4.168 5.898 5.383 1577 2HG2 THR 95 2HG2 THR 95 -2.545 5.907 4.690 1578 3HG2 THR 95 3HG2 THR 95 -3.836 5.001 3.901 1579 H VAL 96 H VAL 96 -6.475 6.535 1.801 1580 HA VAL 96 HA VAL 96 -7.788 4.387 3.335 1581 HB VAL 96 HB VAL 96 -9.100 5.849 1.044 1582 1HG1 VAL 96 1HG1 VAL 96 -10.289 3.955 1.024 1583 2HG1 VAL 96 2HG1 VAL 96 -11.073 4.626 2.454 1584 3HG1 VAL 96 3HG1 VAL 96 -9.746 3.479 2.634 1585 1HG2 VAL 96 1HG2 VAL 96 -9.128 7.480 2.690 1586 2HG2 VAL 96 2HG2 VAL 96 -9.280 6.303 3.995 1587 3HG2 VAL 96 3HG2 VAL 96 -10.659 6.644 2.949 1588 H ARG 97 H ARG 97 -6.912 2.546 2.587 1589 HA ARG 97 HA ARG 97 -6.319 2.379 -0.296 1590 1HB ARG 97 2HB ARG 97 -4.401 2.327 1.421 1591 2HB ARG 97 1HB ARG 97 -4.972 0.710 1.806 1592 1HG ARG 97 2HG ARG 97 -4.538 1.280 -1.050 1593 2HG ARG 97 1HG ARG 97 -3.095 1.231 -0.035 1594 1HD ARG 97 2HD ARG 97 -5.119 -0.920 0.226 1595 2HD ARG 97 1HD ARG 97 -4.049 -0.937 -1.171 1596 HE ARG 97 HE ARG 97 -3.381 -1.698 1.464 1597 1HH1 ARG 97 1HH1 ARG 97 -2.046 0.003 -1.287 1598 2HH1 ARG 97 2HH1 ARG 97 -0.407 -0.369 -0.871 1599 1HH2 ARG 97 1HH2 ARG 97 -1.226 -2.179 2.002 1600 2HH2 ARG 97 2HH2 ARG 97 0.058 -1.605 0.993 1601 H TRP 98 H TRP 98 -7.821 1.201 -1.304 1602 HA TRP 98 HA TRP 98 -8.344 -1.459 -0.274 1603 1HB TRP 98 2HB TRP 98 -10.662 -1.345 -0.135 1604 2HB TRP 98 1HB TRP 98 -10.135 0.157 0.597 1605 HD1 TRP 98 HD TRP 98 -9.789 1.772 -2.248 1606 HE1 TRP 98 1HE TRP 98 -11.957 2.552 -3.427 1607 HE3 TRP 98 3HE TRP 98 -13.123 -1.423 -0.059 1608 HZ2 TRP 98 2HZ TRP 98 -14.687 1.892 -3.435 1609 HZ3 TRP 98 3HZ TRP 98 -15.493 -1.288 -0.708 1610 HH2 TRP 98 HH TRP 98 -16.258 0.338 -2.362 1611 H GLU 99 H GLU 99 -9.199 -2.931 -1.817 1612 HA GLU 99 HA GLU 99 -8.673 -2.073 -4.585 1613 1HB GLU 99 2HB GLU 99 -8.423 -4.874 -3.497 1614 2HB GLU 99 1HB GLU 99 -7.882 -4.283 -5.061 1615 1HG GLU 99 2HG GLU 99 -5.890 -4.017 -4.144 1616 2HG GLU 99 1HG GLU 99 -6.573 -2.653 -3.260 1617 H ASN 100 H ASN 100 -9.736 -3.463 -6.239 1618 HA ASN 100 HA ASN 100 -12.472 -4.172 -5.398 1619 1HB ASN 100 2HB ASN 100 -12.940 -3.561 -7.951 1620 2HB ASN 100 1HB ASN 100 -13.000 -2.351 -6.677 1621 1HD2 ASN 100 1HD2 ASN 100 -10.909 -1.195 -6.281 1622 2HD2 ASN 100 2HD2 ASN 100 -9.975 -0.760 -7.667 1623 H LYS 101 H LYS 101 -10.736 -4.564 -8.484 1624 HA LYS 101 HA LYS 101 -11.578 -7.346 -8.551 1625 1HB LYS 101 2HB LYS 101 -11.877 -5.980 -10.560 1626 2HB LYS 101 1HB LYS 101 -10.149 -5.662 -10.616 1627 1HG LYS 101 2HG LYS 101 -10.978 -8.499 -10.613 1628 2HG LYS 101 1HG LYS 101 -11.329 -7.561 -12.066 1629 1HD LYS 101 2HD LYS 101 -8.612 -7.352 -10.871 1630 2HD LYS 101 1HD LYS 101 -9.026 -8.823 -11.754 1631 1HE LYS 101 2HE LYS 101 -9.777 -7.318 -13.643 1632 2HE LYS 101 1HE LYS 101 -9.016 -5.990 -12.768 1633 1HZ LYS 101 1HZ LYS 101 -6.911 -6.950 -13.014 1634 2HZ LYS 101 2HZ LYS 101 -7.638 -7.136 -14.531 1635 3HZ LYS 101 3HZ LYS 101 -7.537 -8.454 -13.474 1636 H SER 102 H SER 102 -8.534 -5.559 -9.004 1637 HA SER 102 HA SER 102 -7.087 -7.607 -7.555 1638 1HB SER 102 2HB SER 102 -7.063 -8.536 -9.810 1639 2HB SER 102 1HB SER 102 -6.475 -7.005 -10.460 1640 HG SER 102 HG SER 102 -4.571 -7.301 -9.245 1641 H MET 103 H MET 103 -6.825 -4.715 -9.591 1642 HA MET 103 HA MET 103 -4.382 -3.782 -8.577 1643 1HB MET 103 2HB MET 103 -5.952 -2.990 -10.588 1644 2HB MET 103 1HB MET 103 -6.457 -1.809 -9.388 1645 1HG MET 103 2HG MET 103 -4.737 -0.588 -10.072 1646 2HG MET 103 1HG MET 103 -3.721 -1.731 -9.198 1647 1HE MET 103 1HE MET 103 -3.334 -4.147 -10.388 1648 2HE MET 103 2HE MET 103 -2.908 -4.292 -12.093 1649 3HE MET 103 3HE MET 103 -4.603 -4.264 -11.607 1650 H TYR 104 H TYR 104 -4.022 -1.916 -7.175 1651 HA TYR 104 HA TYR 104 -5.991 -1.834 -4.979 1652 1HB TYR 104 2HB TYR 104 -3.042 -1.172 -4.795 1653 2HB TYR 104 1HB TYR 104 -4.173 -1.362 -3.463 1654 HD1 TYR 104 1HD TYR 104 -4.012 -3.310 -2.263 1655 HD2 TYR 104 2HD TYR 104 -2.943 -3.377 -6.381 1656 HE1 TYR 104 1HE TYR 104 -3.384 -5.678 -2.057 1657 HE2 TYR 104 2HE TYR 104 -2.320 -5.745 -6.187 1658 HH TYR 104 HH TYR 104 -1.786 -7.276 -3.325 1659 H CYS 105 H CYS 105 -6.717 0.130 -4.238 1660 HA CYS 105 HA CYS 105 -5.647 2.525 -5.589 1661 1HB CYS 105 2HB CYS 105 -8.537 2.191 -4.788 1662 2HB CYS 105 1HB CYS 105 -7.834 3.429 -5.822 1663 HG CYS 105 HG CYS 105 -7.499 0.726 -7.089 1664 H ILE 106 H ILE 106 -4.669 3.796 -4.146 1665 HA ILE 106 HA ILE 106 -5.785 3.904 -1.427 1666 HB ILE 106 HB ILE 106 -3.592 2.977 -1.333 1667 1HG1 ILE 106 2HG1 ILE 106 -2.910 5.748 -0.545 1668 2HG1 ILE 106 1HG1 ILE 106 -4.341 5.031 0.188 1669 1HG2 ILE 106 1HG2 ILE 106 -1.616 4.308 -2.135 1670 2HG2 ILE 106 2HG2 ILE 106 -2.764 5.286 -3.042 1671 3HG2 ILE 106 3HG2 ILE 106 -2.620 3.563 -3.376 1672 1HD1 ILE 106 1HD1 ILE 106 -1.654 4.706 0.926 1673 2HD1 ILE 106 2HD1 ILE 106 -2.211 3.154 0.298 1674 3HD1 ILE 106 3HD1 ILE 106 -3.081 3.935 1.620 1675 H CYS 107 H CYS 107 -6.874 5.709 -1.026 1676 HA CYS 107 HA CYS 107 -5.910 8.216 -2.230 1677 1HB CYS 107 2HB CYS 107 -8.081 7.411 -3.185 1678 2HB CYS 107 1HB CYS 107 -8.784 7.575 -1.591 1679 HG CYS 107 HG CYS 107 -8.706 9.745 -3.512 1680 H THR 108 H THR 108 -5.208 9.606 -0.811 1681 HA THR 108 HA THR 108 -6.271 9.500 1.921 1682 HB THR 108 HB THR 108 -3.801 9.028 1.590 1683 HG1 THR 108 1HG THR 108 -4.702 11.129 3.245 1684 1HG2 THR 108 1HG2 THR 108 -3.718 11.978 0.996 1685 2HG2 THR 108 2HG2 THR 108 -3.200 10.668 -0.065 1686 3HG2 THR 108 3HG2 THR 108 -2.321 10.992 1.428 1687 H VAL 109 H VAL 109 -7.227 11.212 2.785 1688 HA VAL 109 HA VAL 109 -7.188 13.720 1.246 1689 HB VAL 109 HB VAL 109 -9.562 13.256 2.953 1690 1HG1 VAL 109 1HG1 VAL 109 -9.393 15.265 1.667 1691 2HG1 VAL 109 2HG1 VAL 109 -10.692 14.277 0.995 1692 3HG1 VAL 109 3HG1 VAL 109 -9.128 14.350 0.182 1693 1HG2 VAL 109 1HG2 VAL 109 -9.903 11.174 2.154 1694 2HG2 VAL 109 2HG2 VAL 109 -8.897 11.431 0.729 1695 3HG2 VAL 109 3HG2 VAL 109 -10.543 12.066 0.773 1696 H PHE 110 H PHE 110 -6.526 15.489 2.363 1697 HA PHE 110 HA PHE 110 -6.421 15.197 5.288 1698 1HB PHE 110 2HB PHE 110 -4.958 17.408 3.915 1699 2HB PHE 110 1HB PHE 110 -4.643 16.666 5.461 1700 HD1 PHE 110 1HD PHE 110 -2.526 17.301 3.572 1701 HD2 PHE 110 2HD PHE 110 -4.876 13.775 3.935 1702 HE1 PHE 110 1HE PHE 110 -0.702 15.983 2.586 1703 HE2 PHE 110 2HE PHE 110 -3.063 12.457 2.947 1704 HZ PHE 110 HZ PHE 110 -0.970 13.557 2.268 1705 H GLY 111 H GLY 111 -8.274 15.892 6.049 1706 1HA GLY 111 2HA GLY 111 -9.622 18.205 4.946 1707 2HA GLY 111 1HA GLY 111 -10.162 17.232 6.313 1708 H LEU 112 H LEU 112 -7.900 19.730 5.307 1709 HA LEU 112 HA LEU 112 -7.147 20.341 8.021 1710 1HB LEU 112 2HB LEU 112 -6.472 21.535 5.344 1711 2HB LEU 112 1HB LEU 112 -5.917 22.243 6.845 1712 HG LEU 112 HG LEU 112 -4.393 20.543 7.240 1713 1HD1 LEU 112 1HD1 LEU 112 -5.693 18.681 5.309 1714 2HD1 LEU 112 2HD1 LEU 112 -6.106 18.707 7.021 1715 3HD1 LEU 112 3HD1 LEU 112 -4.463 18.325 6.514 1716 1HD2 LEU 112 1HD2 LEU 112 -3.740 21.730 5.248 1717 2HD2 LEU 112 2HD2 LEU 112 -4.642 20.584 4.256 1718 3HD2 LEU 112 3HD2 LEU 112 -3.233 20.044 5.168 1719 H ALA 113 H ALA 113 -8.125 21.688 9.335 1720 HA ALA 113 HA ALA 113 -10.464 23.119 8.541 1721 1HB ALA 113 1HB ALA 113 -9.112 23.670 11.136 1722 2HB ALA 113 2HB ALA 113 -9.792 22.067 10.851 1723 3HB ALA 113 3HB ALA 113 -10.829 23.492 10.772 1724 H ILE 114 H ILE 114 -9.555 24.474 6.873 1725 HA ILE 114 HA ILE 114 -8.877 26.492 6.068 1726 HB ILE 114 HB ILE 114 -8.893 27.449 8.931 1727 1HG1 ILE 114 2HG1 ILE 114 -11.227 27.962 7.177 1728 2HG1 ILE 114 1HG1 ILE 114 -11.051 26.310 7.758 1729 1HG2 ILE 114 1HG2 ILE 114 -9.084 28.851 6.276 1730 2HG2 ILE 114 2HG2 ILE 114 -7.835 29.028 7.508 1731 3HG2 ILE 114 3HG2 ILE 114 -9.466 29.624 7.815 1732 1HD1 ILE 114 1HD1 ILE 114 -10.984 27.153 10.063 1733 2HD1 ILE 114 2HD1 ILE 114 -12.483 27.569 9.230 1734 3HD1 ILE 114 3HD1 ILE 114 -11.228 28.790 9.451 Start of MODEL 3 1 1H MET 1 1HT MET 1 30.165 6.984 -9.049 2 HA MET 1 HA MET 1 30.163 6.909 -11.158 3 1HB MET 1 2HB MET 1 32.275 6.921 -12.470 4 2HB MET 1 1HB MET 1 32.221 8.175 -11.237 5 1HG MET 1 2HG MET 1 34.289 7.445 -10.781 6 2HG MET 1 1HG MET 1 33.431 6.217 -9.853 7 1HE MET 1 1HE MET 1 34.629 6.081 -14.099 8 2HE MET 1 2HE MET 1 36.154 6.086 -13.213 9 3HE MET 1 3HE MET 1 34.966 7.359 -12.931 10 H GLU 2 H GLU 2 31.140 5.389 -13.083 11 HA GLU 2 HA GLU 2 31.131 3.299 -13.978 12 1HB GLU 2 2HB GLU 2 33.172 3.011 -12.646 13 2HB GLU 2 1HB GLU 2 32.207 2.508 -11.266 14 1HG GLU 2 2HG GLU 2 31.401 0.580 -12.583 15 2HG GLU 2 1HG GLU 2 32.481 1.064 -13.890 16 H GLY 3 H GLY 3 28.866 3.235 -14.163 17 1HA GLY 3 2HA GLY 3 26.954 1.910 -13.988 18 2HA GLY 3 1HA GLY 3 27.641 1.148 -12.562 19 H VAL 4 H VAL 4 28.016 3.049 -10.777 20 HA VAL 4 HA VAL 4 25.367 3.743 -9.974 21 HB VAL 4 HB VAL 4 27.952 4.705 -8.745 22 1HG1 VAL 4 1HG1 VAL 4 25.359 4.199 -7.328 23 2HG1 VAL 4 2HG1 VAL 4 25.677 5.738 -8.129 24 3HG1 VAL 4 3HG1 VAL 4 26.728 5.189 -6.823 25 1HG2 VAL 4 1HG2 VAL 4 27.455 2.728 -7.155 26 2HG2 VAL 4 2HG2 VAL 4 28.227 2.400 -8.707 27 3HG2 VAL 4 3HG2 VAL 4 26.501 2.097 -8.498 28 H ASP 5 H ASP 5 24.250 5.516 -10.449 29 HA ASP 5 HA ASP 5 25.723 7.908 -11.342 30 1HB ASP 5 2HB ASP 5 24.068 6.457 -12.914 31 2HB ASP 5 1HB ASP 5 22.914 7.585 -12.211 32 HA PRO 6 HA PRO 6 23.720 9.278 -7.456 33 1HB PRO 6 2HB PRO 6 25.283 11.709 -8.136 34 2HB PRO 6 1HB PRO 6 25.193 10.817 -6.614 35 1HG PRO 6 2HG PRO 6 27.349 10.644 -8.166 36 2HG PRO 6 1HG PRO 6 26.728 9.222 -7.306 37 1HD PRO 6 2HD PRO 6 26.455 9.963 -10.192 38 2HD PRO 6 1HD PRO 6 26.728 8.369 -9.458 39 H ALA 7 H ALA 7 21.643 9.751 -7.808 40 HA ALA 7 HA ALA 7 19.774 10.979 -8.231 41 1HB ALA 7 1HB ALA 7 20.524 13.419 -9.289 42 2HB ALA 7 2HB ALA 7 21.878 12.979 -8.249 43 3HB ALA 7 3HB ALA 7 20.247 13.055 -7.586 44 H VAL 8 H VAL 8 22.105 11.878 -10.777 45 HA VAL 8 HA VAL 8 22.060 11.667 -13.043 46 HB VAL 8 HB VAL 8 19.542 10.168 -13.355 47 1HG1 VAL 8 1HG1 VAL 8 22.096 9.019 -14.227 48 2HG1 VAL 8 2HG1 VAL 8 21.738 10.627 -14.856 49 3HG1 VAL 8 3HG1 VAL 8 20.603 9.303 -15.121 50 1HG2 VAL 8 1HG2 VAL 8 21.032 8.047 -12.631 51 2HG2 VAL 8 2HG2 VAL 8 19.832 8.816 -11.597 52 3HG2 VAL 8 3HG2 VAL 8 21.537 9.221 -11.415 53 H GLU 9 H GLU 9 18.654 11.613 -12.048 54 HA GLU 9 HA GLU 9 18.245 14.091 -13.576 55 1HB GLU 9 2HB GLU 9 16.956 11.475 -13.767 56 2HB GLU 9 1HB GLU 9 15.814 12.792 -13.612 57 1HG GLU 9 2HG GLU 9 17.962 13.255 -15.549 58 2HG GLU 9 1HG GLU 9 16.879 11.921 -15.943 59 H GLU 10 H GLU 10 18.320 15.440 -11.794 60 HA GLU 10 HA GLU 10 16.801 14.908 -9.419 61 1HB GLU 10 2HB GLU 10 18.972 16.398 -9.843 62 2HB GLU 10 1HB GLU 10 17.759 17.657 -10.036 63 1HG GLU 10 2HG GLU 10 18.390 17.745 -7.787 64 2HG GLU 10 1HG GLU 10 16.836 16.911 -7.799 65 H ALA 11 H ALA 11 14.975 16.015 -8.670 66 HA ALA 11 HA ALA 11 13.358 17.251 -10.799 67 1HB ALA 11 1HB ALA 11 12.220 15.325 -10.163 68 2HB ALA 11 2HB ALA 11 11.428 16.591 -9.224 69 3HB ALA 11 3HB ALA 11 12.616 15.538 -8.457 70 H ALA 12 H ALA 12 11.787 18.894 -10.081 71 HA ALA 12 HA ALA 12 11.266 20.880 -9.103 72 1HB ALA 12 1HB ALA 12 10.892 19.565 -7.103 73 2HB ALA 12 2HB ALA 12 11.628 21.109 -6.678 74 3HB ALA 12 3HB ALA 12 12.608 19.643 -6.701 75 H PHE 13 H PHE 13 12.115 22.924 -8.952 76 HA PHE 13 HA PHE 13 15.002 23.219 -8.601 77 1HB PHE 13 2HB PHE 13 14.046 23.077 -11.122 78 2HB PHE 13 1HB PHE 13 13.857 24.802 -10.826 79 HD1 PHE 13 1HD PHE 13 16.177 22.108 -11.459 80 HD2 PHE 13 2HD PHE 13 15.838 26.181 -10.275 81 HE1 PHE 13 1HE PHE 13 18.563 22.447 -11.958 82 HE2 PHE 13 2HE PHE 13 18.222 26.528 -10.771 83 HZ PHE 13 HZ PHE 13 19.588 24.660 -11.615 84 H VAL 14 H VAL 14 12.612 23.924 -7.022 85 HA VAL 14 HA VAL 14 12.949 26.856 -6.979 86 HB VAL 14 HB VAL 14 10.565 25.394 -5.848 87 1HG1 VAL 14 1HG1 VAL 14 10.772 28.258 -6.736 88 2HG1 VAL 14 2HG1 VAL 14 11.191 27.743 -5.102 89 3HG1 VAL 14 3HG1 VAL 14 9.551 27.514 -5.706 90 1HG2 VAL 14 1HG2 VAL 14 9.332 25.844 -7.837 91 2HG2 VAL 14 2HG2 VAL 14 10.814 25.019 -8.321 92 3HG2 VAL 14 3HG2 VAL 14 10.668 26.764 -8.530 93 H ALA 15 H ALA 15 13.244 27.870 -4.989 94 HA ALA 15 HA ALA 15 14.054 28.105 -2.874 95 1HB ALA 15 1HB ALA 15 13.257 26.291 -1.218 96 2HB ALA 15 2HB ALA 15 12.296 25.700 -2.573 97 3HB ALA 15 3HB ALA 15 12.056 27.340 -1.971 98 H ASP 16 H ASP 16 16.170 27.733 -3.838 99 HA ASP 16 HA ASP 16 17.464 25.291 -4.029 100 1HB ASP 16 2HB ASP 16 19.578 26.636 -3.766 101 2HB ASP 16 1HB ASP 16 18.471 27.223 -5.002 102 H ASP 17 H ASP 17 17.337 27.507 -1.249 103 HA ASP 17 HA ASP 17 19.062 26.161 0.452 104 1HB ASP 17 2HB ASP 17 17.776 27.242 2.305 105 2HB ASP 17 1HB ASP 17 18.255 28.353 1.025 106 H VAL 18 H VAL 18 15.627 25.573 -0.137 107 HA VAL 18 HA VAL 18 15.467 23.512 1.881 108 HB VAL 18 HB VAL 18 13.471 24.012 -0.323 109 1HG1 VAL 18 1HG1 VAL 18 11.933 22.881 1.001 110 2HG1 VAL 18 2HG1 VAL 18 12.890 23.094 2.467 111 3HG1 VAL 18 3HG1 VAL 18 13.414 21.951 1.230 112 1HG2 VAL 18 1HG2 VAL 18 13.743 25.421 2.326 113 2HG2 VAL 18 2HG2 VAL 18 12.313 25.498 1.298 114 3HG2 VAL 18 3HG2 VAL 18 13.850 26.139 0.720 115 H SER 19 H SER 19 16.012 23.711 -1.559 116 HA SER 19 HA SER 19 15.517 21.014 -2.194 117 1HB SER 19 2HB SER 19 17.403 22.920 -3.590 118 2HB SER 19 1HB SER 19 16.677 21.467 -4.276 119 HG SER 19 HG SER 19 15.689 23.920 -4.242 120 H ASN 20 H ASN 20 18.516 22.704 -1.300 121 HA ASN 20 HA ASN 20 20.124 20.375 -1.634 122 1HB ASN 20 2HB ASN 20 21.790 21.731 -0.165 123 2HB ASN 20 1HB ASN 20 21.412 22.291 -1.787 124 1HD2 ASN 20 1HD2 ASN 20 20.301 22.675 1.563 125 2HD2 ASN 20 2HD2 ASN 20 19.977 24.364 1.437 126 H ILE 21 H ILE 21 18.394 21.726 1.125 127 HA ILE 21 HA ILE 21 19.622 20.267 3.166 128 HB ILE 21 HB ILE 21 16.765 21.248 2.914 129 1HG1 ILE 21 2HG1 ILE 21 18.964 22.271 4.696 130 2HG1 ILE 21 1HG1 ILE 21 18.733 22.861 3.056 131 1HG2 ILE 21 1HG2 ILE 21 16.517 20.899 5.325 132 2HG2 ILE 21 2HG2 ILE 21 18.100 20.123 5.380 133 3HG2 ILE 21 3HG2 ILE 21 16.780 19.371 4.483 134 1HD1 ILE 21 1HD1 ILE 21 16.887 23.115 5.402 135 2HD1 ILE 21 2HD1 ILE 21 16.365 23.421 3.746 136 3HD1 ILE 21 3HD1 ILE 21 17.650 24.396 4.459 137 H ILE 22 H ILE 22 16.685 19.385 1.307 138 HA ILE 22 HA ILE 22 16.358 16.886 2.517 139 HB ILE 22 HB ILE 22 14.573 17.911 1.218 140 1HG1 ILE 22 2HG1 ILE 22 13.957 15.873 -0.190 141 2HG1 ILE 22 1HG1 ILE 22 15.512 15.200 0.286 142 1HG2 ILE 22 1HG2 ILE 22 14.580 18.035 -1.171 143 2HG2 ILE 22 2HG2 ILE 22 16.154 17.243 -1.254 144 3HG2 ILE 22 3HG2 ILE 22 16.014 18.857 -0.559 145 1HD1 ILE 22 1HD1 ILE 22 14.825 15.411 2.651 146 2HD1 ILE 22 2HD1 ILE 22 13.800 14.327 1.711 147 3HD1 ILE 22 3HD1 ILE 22 13.238 15.952 2.104 148 H LYS 23 H LYS 23 17.978 17.668 -0.592 149 HA LYS 23 HA LYS 23 18.768 15.060 -1.162 150 1HB LYS 23 2HB LYS 23 20.113 17.649 -1.903 151 2HB LYS 23 1HB LYS 23 20.432 16.095 -2.659 152 1HG LYS 23 2HG LYS 23 18.202 15.983 -3.512 153 2HG LYS 23 1HG LYS 23 17.745 17.434 -2.626 154 1HD LYS 23 2HD LYS 23 19.526 17.165 -5.034 155 2HD LYS 23 1HD LYS 23 18.081 18.137 -4.823 156 1HE LYS 23 2HE LYS 23 19.289 19.597 -3.264 157 2HE LYS 23 1HE LYS 23 20.744 18.633 -3.511 158 1HZ LYS 23 1HZ LYS 23 19.324 20.010 -5.719 159 2HZ LYS 23 2HZ LYS 23 20.866 19.317 -5.754 160 3HZ LYS 23 3HZ LYS 23 20.591 20.721 -4.854 161 H GLU 24 H GLU 24 20.565 17.714 0.303 162 HA GLU 24 HA GLU 24 22.962 16.448 0.864 163 1HB GLU 24 2HB GLU 24 21.436 18.568 2.376 164 2HB GLU 24 1HB GLU 24 23.008 18.020 2.913 165 1HG GLU 24 2HG GLU 24 22.978 18.719 0.094 166 2HG GLU 24 1HG GLU 24 22.515 20.061 1.139 167 H SER 25 H SER 25 19.897 16.264 2.542 168 HA SER 25 HA SER 25 20.857 14.841 4.811 169 1HB SER 25 2HB SER 25 18.582 16.131 4.401 170 2HB SER 25 1HB SER 25 18.032 14.545 3.861 171 HG SER 25 HG SER 25 18.555 13.713 5.871 172 H ILE 26 H ILE 26 19.266 13.791 1.760 173 HA ILE 26 HA ILE 26 19.181 11.047 2.366 174 HB ILE 26 HB ILE 26 19.265 12.561 -0.233 175 1HG1 ILE 26 2HG1 ILE 26 17.085 11.215 -0.452 176 2HG1 ILE 26 1HG1 ILE 26 17.307 10.856 1.259 177 1HG2 ILE 26 1HG2 ILE 26 18.727 10.183 -1.247 178 2HG2 ILE 26 2HG2 ILE 26 19.751 9.636 0.081 179 3HG2 ILE 26 3HG2 ILE 26 20.388 10.762 -1.117 180 1HD1 ILE 26 1HD1 ILE 26 17.190 13.622 0.110 181 2HD1 ILE 26 2HD1 ILE 26 17.218 13.169 1.814 182 3HD1 ILE 26 3HD1 ILE 26 15.821 12.770 0.818 183 H ASP 27 H ASP 27 21.692 13.014 0.873 184 HA ASP 27 HA ASP 27 23.534 11.077 0.200 185 1HB ASP 27 2HB ASP 27 23.783 13.459 -0.356 186 2HB ASP 27 1HB ASP 27 24.036 13.836 1.339 187 H ALA 28 H ALA 28 22.848 12.518 3.331 188 HA ALA 28 HA ALA 28 24.986 11.013 4.625 189 1HB ALA 28 1HB ALA 28 24.803 12.486 6.337 190 2HB ALA 28 2HB ALA 28 23.041 12.530 6.254 191 3HB ALA 28 3HB ALA 28 24.002 13.467 5.108 192 H VAL 29 H VAL 29 21.466 11.191 4.671 193 HA VAL 29 HA VAL 29 21.085 9.184 6.605 194 HB VAL 29 HB VAL 29 19.453 11.039 5.079 195 1HG1 VAL 29 1HG1 VAL 29 18.213 9.396 4.057 196 2HG1 VAL 29 2HG1 VAL 29 17.324 9.747 5.520 197 3HG1 VAL 29 3HG1 VAL 29 18.328 8.307 5.436 198 1HG2 VAL 29 1HG2 VAL 29 18.148 11.068 7.117 199 2HG2 VAL 29 2HG2 VAL 29 19.872 11.184 7.461 200 3HG2 VAL 29 3HG2 VAL 29 19.023 9.658 7.705 201 H LEU 30 H LEU 30 22.199 8.877 3.477 202 HA LEU 30 HA LEU 30 21.313 6.085 3.432 203 1HB LEU 30 2HB LEU 30 21.445 8.023 1.155 204 2HB LEU 30 1HB LEU 30 21.631 6.303 0.869 205 HG LEU 30 HG LEU 30 19.330 6.898 0.483 206 1HD1 LEU 30 1HD1 LEU 30 18.262 5.321 1.831 207 2HD1 LEU 30 2HD1 LEU 30 19.330 5.639 3.198 208 3HD1 LEU 30 3HD1 LEU 30 19.940 4.780 1.784 209 1HD2 LEU 30 1HD2 LEU 30 18.900 7.708 3.294 210 2HD2 LEU 30 2HD2 LEU 30 18.055 8.204 1.828 211 3HD2 LEU 30 3HD2 LEU 30 19.638 8.880 2.206 212 H GLN 31 H GLN 31 23.932 8.388 2.712 213 HA GLN 31 HA GLN 31 25.727 6.245 1.973 214 1HB GLN 31 2HB GLN 31 25.785 8.651 1.068 215 2HB GLN 31 1HB GLN 31 26.584 9.044 2.578 216 1HG GLN 31 2HG GLN 31 28.388 7.625 2.119 217 2HG GLN 31 1HG GLN 31 27.557 6.929 0.740 218 1HE2 GLN 31 1HE2 GLN 31 28.489 7.537 -1.075 219 2HE2 GLN 31 2HE2 GLN 31 29.075 9.122 -1.435 220 H ASN 32 H ASN 32 24.680 7.625 4.910 221 HA ASN 32 HA ASN 32 26.664 7.858 6.666 222 1HB ASN 32 2HB ASN 32 25.239 6.675 8.351 223 2HB ASN 32 1HB ASN 32 24.372 7.874 7.395 224 1HD2 ASN 32 1HD2 ASN 32 25.089 4.425 7.602 225 2HD2 ASN 32 2HD2 ASN 32 23.616 3.891 6.885 226 H GLN 33 H GLN 33 25.780 4.781 5.184 227 HA GLN 33 HA GLN 33 28.316 3.683 6.051 228 1HB GLN 33 2HB GLN 33 26.646 3.185 7.869 229 2HB GLN 33 1HB GLN 33 25.791 2.168 6.728 230 1HG GLN 33 2HG GLN 33 28.693 1.754 7.348 231 2HG GLN 33 1HG GLN 33 27.417 1.059 8.346 232 1HE2 GLN 33 1HE2 GLN 33 25.583 0.194 6.638 233 2HE2 GLN 33 2HE2 GLN 33 26.231 -0.987 5.557 234 H GLN 34 H GLN 34 25.503 1.788 4.936 235 HA GLN 34 HA GLN 34 26.667 1.676 2.263 236 1HB GLN 34 2HB GLN 34 27.365 -0.266 3.966 237 2HB GLN 34 1HB GLN 34 25.842 -0.937 3.405 238 1HG GLN 34 2HG GLN 34 27.238 -0.047 1.124 239 2HG GLN 34 1HG GLN 34 28.391 -0.925 2.127 240 1HE2 GLN 34 1HE2 GLN 34 27.505 -3.041 3.003 241 2HE2 GLN 34 2HE2 GLN 34 26.629 -4.024 1.885 242 H TYR 35 H TYR 35 25.188 0.011 0.932 243 HA TYR 35 HA TYR 35 22.515 1.143 1.093 244 1HB TYR 35 2HB TYR 35 23.654 1.099 -1.071 245 2HB TYR 35 1HB TYR 35 23.802 -0.650 -0.977 246 HD1 TYR 35 1HD TYR 35 21.500 2.149 -1.555 247 HD2 TYR 35 2HD TYR 35 21.906 -2.085 -1.427 248 HE1 TYR 35 1HE TYR 35 19.342 1.912 -2.714 249 HE2 TYR 35 2HE TYR 35 19.748 -2.331 -2.585 250 HH TYR 35 HH TYR 35 17.693 -1.047 -2.939 251 H SER 36 H SER 36 21.067 0.163 2.338 252 HA SER 36 HA SER 36 20.845 -2.768 2.216 253 1HB SER 36 2HB SER 36 20.912 -1.013 4.661 254 2HB SER 36 1HB SER 36 20.061 -2.557 4.684 255 HG SER 36 HG SER 36 22.058 -3.111 5.284 256 H GLU 37 H GLU 37 18.872 -3.342 1.510 257 HA GLU 37 HA GLU 37 16.854 -1.522 0.942 258 1HB GLU 37 2HB GLU 37 17.046 -3.748 -0.102 259 2HB GLU 37 1HB GLU 37 16.512 -4.482 1.406 260 1HG GLU 37 2HG GLU 37 14.408 -4.231 0.787 261 2HG GLU 37 1HG GLU 37 14.629 -2.490 0.726 262 H ALA 38 H ALA 38 17.231 -3.594 3.792 263 HA ALA 38 HA ALA 38 14.739 -3.135 4.967 264 1HB ALA 38 1HB ALA 38 17.434 -3.718 6.163 265 2HB ALA 38 2HB ALA 38 16.091 -4.830 5.892 266 3HB ALA 38 3HB ALA 38 15.970 -3.586 7.137 267 H LYS 39 H LYS 39 17.590 -1.152 4.825 268 HA LYS 39 HA LYS 39 16.400 0.815 6.628 269 1HB LYS 39 2HB LYS 39 19.141 0.210 5.675 270 2HB LYS 39 1HB LYS 39 18.764 1.888 5.999 271 1HG LYS 39 2HG LYS 39 19.609 1.185 8.001 272 2HG LYS 39 1HG LYS 39 17.872 1.026 8.252 273 1HD LYS 39 2HD LYS 39 18.960 -0.937 9.090 274 2HD LYS 39 1HD LYS 39 18.060 -1.366 7.637 275 1HE LYS 39 2HE LYS 39 19.910 -2.037 6.591 276 2HE LYS 39 1HE LYS 39 20.771 -0.559 7.014 277 1HZ LYS 39 1HZ LYS 39 21.988 -2.165 8.088 278 2HZ LYS 39 2HZ LYS 39 20.639 -3.110 8.471 279 3HZ LYS 39 3HZ LYS 39 20.938 -1.681 9.323 280 H VAL 40 H VAL 40 16.816 0.171 3.288 281 HA VAL 40 HA VAL 40 17.085 2.628 2.096 282 HB VAL 40 HB VAL 40 15.753 0.078 1.313 283 1HG1 VAL 40 1HG1 VAL 40 15.504 2.536 -0.411 284 2HG1 VAL 40 2HG1 VAL 40 14.173 1.725 0.417 285 3HG1 VAL 40 3HG1 VAL 40 15.058 0.889 -0.858 286 1HG2 VAL 40 1HG2 VAL 40 18.229 0.693 1.126 287 2HG2 VAL 40 2HG2 VAL 40 17.737 1.676 -0.252 288 3HG2 VAL 40 3HG2 VAL 40 17.454 -0.064 -0.264 289 H SER 41 H SER 41 14.337 1.378 3.831 290 HA SER 41 HA SER 41 12.691 3.646 2.974 291 1HB SER 41 2HB SER 41 11.952 1.178 4.568 292 2HB SER 41 1HB SER 41 10.829 2.451 4.089 293 HG SER 41 HG SER 41 12.270 0.689 2.401 294 H GLN 42 H GLN 42 14.053 2.114 5.854 295 HA GLN 42 HA GLN 42 12.939 3.938 7.716 296 1HB GLN 42 2HB GLN 42 15.178 1.952 7.776 297 2HB GLN 42 1HB GLN 42 15.045 3.120 9.084 298 1HG GLN 42 2HG GLN 42 12.973 1.108 8.243 299 2HG GLN 42 1HG GLN 42 13.952 1.078 9.710 300 1HE2 GLN 42 1HE2 GLN 42 11.242 2.507 8.096 301 2HE2 GLN 42 2HE2 GLN 42 10.600 3.341 9.466 302 H TRP 43 H TRP 43 15.823 4.017 5.744 303 HA TRP 43 HA TRP 43 17.119 6.115 7.083 304 1HB TRP 43 2HB TRP 43 17.275 5.017 4.315 305 2HB TRP 43 1HB TRP 43 18.094 6.523 4.687 306 HD1 TRP 43 HD TRP 43 19.318 3.561 3.939 307 HE1 TRP 43 1HE TRP 43 21.166 2.654 5.441 308 HE3 TRP 43 3HE TRP 43 18.586 6.499 8.095 309 HZ2 TRP 43 2HZ TRP 43 22.209 3.086 8.020 310 HZ3 TRP 43 3HZ TRP 43 20.065 6.176 10.019 311 HH2 TRP 43 HH TRP 43 21.844 4.509 9.983 312 H THR 44 H THR 44 15.078 6.140 4.189 313 HA THR 44 HA THR 44 15.118 8.858 3.732 314 HB THR 44 HB THR 44 14.078 6.829 2.418 315 HG1 THR 44 1HG THR 44 14.331 8.698 1.375 316 1HG2 THR 44 1HG2 THR 44 11.696 7.908 3.859 317 2HG2 THR 44 2HG2 THR 44 12.163 6.238 3.565 318 3HG2 THR 44 3HG2 THR 44 11.579 7.237 2.236 319 H SER 45 H SER 45 13.463 7.112 6.207 320 HA SER 45 HA SER 45 11.619 9.213 6.878 321 1HB SER 45 2HB SER 45 11.987 6.518 7.653 322 2HB SER 45 1HB SER 45 12.216 7.481 9.109 323 HG SER 45 HG SER 45 9.979 6.789 8.456 324 H SER 46 H SER 46 14.793 8.087 7.894 325 HA SER 46 HA SER 46 15.214 9.978 9.971 326 1HB SER 46 2HB SER 46 16.961 8.187 8.334 327 2HB SER 46 1HB SER 46 17.725 9.509 9.215 328 HG SER 46 HG SER 46 17.448 7.376 10.314 329 H CYS 47 H CYS 47 15.596 9.992 6.505 330 HA CYS 47 HA CYS 47 17.037 12.379 6.157 331 1HB CYS 47 2HB CYS 47 16.850 11.289 4.137 332 2HB CYS 47 1HB CYS 47 15.303 10.605 4.546 333 HG CYS 47 HG CYS 47 15.656 13.415 3.259 334 H LEU 48 H LEU 48 13.638 11.625 6.490 335 HA LEU 48 HA LEU 48 12.645 14.208 6.118 336 1HB LEU 48 2HB LEU 48 11.617 11.635 7.159 337 2HB LEU 48 1HB LEU 48 10.733 13.070 7.617 338 HG LEU 48 HG LEU 48 9.873 13.375 5.537 339 1HD1 LEU 48 1HD1 LEU 48 12.385 12.185 4.368 340 2HD1 LEU 48 2HD1 LEU 48 11.938 13.887 4.401 341 3HD1 LEU 48 3HD1 LEU 48 11.011 12.761 3.425 342 1HD2 LEU 48 1HD2 LEU 48 9.252 11.097 6.173 343 2HD2 LEU 48 2HD2 LEU 48 10.675 10.475 5.339 344 3HD2 LEU 48 3HD2 LEU 48 9.389 11.258 4.422 345 H GLU 49 H GLU 49 13.818 12.530 8.971 346 HA GLU 49 HA GLU 49 13.025 14.726 10.658 347 1HB GLU 49 2HB GLU 49 13.316 12.337 11.486 348 2HB GLU 49 1HB GLU 49 15.053 12.651 11.428 349 1HG GLU 49 2HG GLU 49 14.442 14.771 12.774 350 2HG GLU 49 1HG GLU 49 12.968 13.902 13.159 351 H HIS 50 H HIS 50 15.822 13.712 8.856 352 HA HIS 50 HA HIS 50 17.526 15.771 9.956 353 1HB HIS 50 2HB HIS 50 17.894 13.754 7.741 354 2HB HIS 50 1HB HIS 50 19.120 14.942 8.171 355 HD1 HIS 50 1HD HIS 50 20.882 13.532 9.237 356 HD2 HIS 50 2HD HIS 50 17.085 12.689 10.702 357 HE1 HIS 50 1HE HIS 50 21.236 11.922 11.137 358 HE2 HIS 50 2HE HIS 50 18.919 11.359 11.951 359 H CYS 51 H CYS 51 14.973 15.920 7.914 360 HA CYS 51 HA CYS 51 16.160 18.002 6.206 361 1HB CYS 51 2HB CYS 51 14.902 16.001 5.119 362 2HB CYS 51 1HB CYS 51 13.444 16.717 5.795 363 HG CYS 51 HG CYS 51 13.753 18.749 4.236 364 H ILE 52 H ILE 52 13.409 17.064 8.167 365 HA ILE 52 HA ILE 52 12.117 19.543 8.302 366 HB ILE 52 HB ILE 52 11.157 17.312 8.904 367 1HG1 ILE 52 2HG1 ILE 52 10.012 19.365 9.544 368 2HG1 ILE 52 1HG1 ILE 52 9.745 18.061 10.694 369 1HG2 ILE 52 1HG2 ILE 52 11.559 16.234 10.920 370 2HG2 ILE 52 2HG2 ILE 52 12.414 17.621 11.582 371 3HG2 ILE 52 3HG2 ILE 52 13.153 16.658 10.306 372 1HD1 ILE 52 1HD1 ILE 52 11.096 20.633 11.028 373 2HD1 ILE 52 2HD1 ILE 52 11.845 19.246 11.822 374 3HD1 ILE 52 3HD1 ILE 52 10.169 19.666 12.174 375 H LYS 53 H LYS 53 14.521 18.002 10.443 376 HA LYS 53 HA LYS 53 14.637 19.995 12.397 377 1HB LYS 53 2HB LYS 53 16.400 17.777 11.519 378 2HB LYS 53 1HB LYS 53 17.170 19.051 12.445 379 1HG LYS 53 2HG LYS 53 16.400 17.121 13.800 380 2HG LYS 53 1HG LYS 53 15.734 18.665 14.309 381 1HD LYS 53 2HD LYS 53 14.107 17.245 12.345 382 2HD LYS 53 1HD LYS 53 14.289 16.402 13.882 383 1HE LYS 53 2HE LYS 53 13.647 19.301 13.965 384 2HE LYS 53 1HE LYS 53 12.367 18.195 13.471 385 1HZ LYS 53 1HZ LYS 53 12.586 18.738 15.933 386 2HZ LYS 53 2HZ LYS 53 13.937 17.721 15.927 387 3HZ LYS 53 3HZ LYS 53 12.417 17.108 15.510 388 H ARG 54 H ARG 54 16.193 19.726 9.270 389 HA ARG 54 HA ARG 54 18.039 21.847 9.647 390 1HB ARG 54 2HB ARG 54 17.277 20.037 7.521 391 2HB ARG 54 1HB ARG 54 17.498 21.664 6.895 392 1HG ARG 54 2HG ARG 54 19.499 19.997 8.395 393 2HG ARG 54 1HG ARG 54 19.566 20.502 6.707 394 1HD ARG 54 2HD ARG 54 20.845 22.176 7.463 395 2HD ARG 54 1HD ARG 54 19.331 22.894 8.000 396 HE ARG 54 HE ARG 54 19.916 22.443 10.173 397 1HH1 ARG 54 1HH1 ARG 54 22.087 20.723 8.035 398 2HH1 ARG 54 2HH1 ARG 54 23.167 20.263 9.306 399 1HH2 ARG 54 1HH2 ARG 54 21.341 21.833 11.837 400 2HH2 ARG 54 2HH2 ARG 54 22.744 20.891 11.461 401 H LEU 55 H LEU 55 14.856 21.642 8.102 402 HA LEU 55 HA LEU 55 14.720 24.310 7.251 403 1HB LEU 55 2HB LEU 55 12.482 22.442 8.031 404 2HB LEU 55 1HB LEU 55 12.280 23.946 7.150 405 HG LEU 55 HG LEU 55 13.748 21.491 6.192 406 1HD1 LEU 55 1HD1 LEU 55 11.302 21.342 6.112 407 2HD1 LEU 55 2HD1 LEU 55 12.028 21.378 4.506 408 3HD1 LEU 55 3HD1 LEU 55 11.257 22.824 5.159 409 1HD2 LEU 55 1HD2 LEU 55 13.399 24.179 4.886 410 2HD2 LEU 55 2HD2 LEU 55 14.039 22.738 4.095 411 3HD2 LEU 55 3HD2 LEU 55 14.913 23.466 5.444 412 H THR 56 H THR 56 14.166 22.851 10.361 413 HA THR 56 HA THR 56 12.828 25.113 11.505 414 HB THR 56 HB THR 56 12.876 23.935 13.545 415 HG1 THR 56 1HG THR 56 14.402 22.456 14.075 416 1HG2 THR 56 1HG2 THR 56 13.031 21.381 12.281 417 2HG2 THR 56 2HG2 THR 56 12.167 22.508 11.235 418 3HG2 THR 56 3HG2 THR 56 11.619 22.242 12.889 419 H ALA 57 H ALA 57 16.130 24.024 11.158 420 HA ALA 57 HA ALA 57 17.295 25.834 13.019 421 1HB ALA 57 1HB ALA 57 18.602 23.957 12.490 422 2HB ALA 57 2HB ALA 57 19.409 25.300 11.679 423 3HB ALA 57 3HB ALA 57 18.394 24.193 10.755 424 H LEU 58 H LEU 58 16.766 25.887 9.517 425 HA LEU 58 HA LEU 58 17.963 28.486 9.213 426 1HB LEU 58 2HB LEU 58 16.877 26.382 7.485 427 2HB LEU 58 1HB LEU 58 16.552 28.001 6.906 428 HG LEU 58 HG LEU 58 19.071 28.420 7.205 429 1HD1 LEU 58 1HD1 LEU 58 18.858 25.526 7.763 430 2HD1 LEU 58 2HD1 LEU 58 20.026 26.714 8.341 431 3HD1 LEU 58 3HD1 LEU 58 20.183 26.040 6.720 432 1HD2 LEU 58 1HD2 LEU 58 18.272 28.380 5.017 433 2HD2 LEU 58 2HD2 LEU 58 17.826 26.677 5.109 434 3HD2 LEU 58 3HD2 LEU 58 19.525 27.139 5.021 435 H ASN 59 H ASN 59 14.779 27.187 9.748 436 HA ASN 59 HA ASN 59 12.692 28.103 9.824 437 1HB ASN 59 2HB ASN 59 12.532 30.093 11.254 438 2HB ASN 59 1HB ASN 59 13.657 28.912 11.913 439 1HD2 ASN 59 1HD2 ASN 59 15.898 29.330 11.776 440 2HD2 ASN 59 2HD2 ASN 59 16.491 30.942 11.598 441 H LYS 60 H LYS 60 12.547 28.279 7.489 442 HA LYS 60 HA LYS 60 11.584 30.778 6.661 443 1HB LYS 60 2HB LYS 60 13.332 31.173 4.841 444 2HB LYS 60 1HB LYS 60 13.780 31.605 6.486 445 1HG LYS 60 2HG LYS 60 15.016 29.503 6.697 446 2HG LYS 60 1HG LYS 60 14.577 29.086 5.040 447 1HD LYS 60 2HD LYS 60 16.689 29.988 4.766 448 2HD LYS 60 1HD LYS 60 15.653 31.383 4.460 449 1HE LYS 60 2HE LYS 60 15.937 31.992 6.881 450 2HE LYS 60 1HE LYS 60 17.157 30.724 6.984 451 1HZ LYS 60 1HZ LYS 60 17.283 33.323 5.669 452 2HZ LYS 60 2HZ LYS 60 18.075 32.043 4.899 453 3HZ LYS 60 3HZ LYS 60 18.491 32.463 6.484 454 HA PRO 61 HA PRO 61 10.086 31.385 5.412 455 1HB PRO 61 2HB PRO 61 7.495 30.679 4.959 456 2HB PRO 61 1HB PRO 61 8.575 31.306 3.713 457 1HG PRO 61 2HG PRO 61 7.683 28.520 4.219 458 2HG PRO 61 1HG PRO 61 8.083 29.316 2.692 459 1HD PRO 61 2HD PRO 61 9.734 27.561 4.051 460 2HD PRO 61 1HD PRO 61 10.270 28.734 2.836 461 H PHE 62 H PHE 62 7.662 28.888 6.130 462 HA PHE 62 HA PHE 62 8.319 29.037 8.970 463 1HB PHE 62 2HB PHE 62 5.873 30.127 7.695 464 2HB PHE 62 1HB PHE 62 5.640 29.215 9.184 465 HD1 PHE 62 1HD PHE 62 6.840 29.945 11.257 466 HD2 PHE 62 2HD PHE 62 6.713 32.319 7.727 467 HE1 PHE 62 1HE PHE 62 7.471 31.926 12.571 468 HE2 PHE 62 2HE PHE 62 7.345 34.305 9.034 469 HZ PHE 62 HZ PHE 62 7.725 34.110 11.460 470 H LYS 63 H LYS 63 5.492 27.848 7.167 471 HA LYS 63 HA LYS 63 5.774 25.264 8.468 472 1HB LYS 63 2HB LYS 63 3.628 26.669 6.957 473 2HB LYS 63 1HB LYS 63 3.608 24.910 6.957 474 1HG LYS 63 2HG LYS 63 4.003 25.522 9.608 475 2HG LYS 63 1HG LYS 63 2.907 26.792 9.063 476 1HD LYS 63 2HD LYS 63 1.638 24.903 9.892 477 2HD LYS 63 1HD LYS 63 1.401 25.066 8.151 478 1HE LYS 63 2HE LYS 63 3.541 23.392 8.247 479 2HE LYS 63 1HE LYS 63 2.666 22.913 9.700 480 1HZ LYS 63 1HZ LYS 63 0.646 22.801 8.191 481 2HZ LYS 63 2HZ LYS 63 1.803 21.582 8.011 482 3HZ LYS 63 3HZ LYS 63 1.734 22.852 6.896 483 H TYR 64 H TYR 64 6.645 23.519 7.545 484 HA TYR 64 HA TYR 64 6.802 23.410 4.615 485 1HB TYR 64 2HB TYR 64 9.170 22.247 5.888 486 2HB TYR 64 1HB TYR 64 9.051 23.321 4.503 487 HD1 TYR 64 1HD TYR 64 8.893 25.811 4.913 488 HD2 TYR 64 2HD TYR 64 9.844 23.044 8.001 489 HE1 TYR 64 1HE TYR 64 9.813 27.645 6.267 490 HE2 TYR 64 2HE TYR 64 10.766 24.871 9.363 491 HH TYR 64 HH TYR 64 10.599 27.277 9.572 492 H VAL 65 H VAL 65 6.770 21.376 3.705 493 HA VAL 65 HA VAL 65 6.062 19.198 5.542 494 HB VAL 65 HB VAL 65 4.771 20.171 3.174 495 1HG1 VAL 65 1HG1 VAL 65 5.823 18.557 1.775 496 2HG1 VAL 65 2HG1 VAL 65 4.240 17.892 2.165 497 3HG1 VAL 65 3HG1 VAL 65 5.675 17.298 3.000 498 1HG2 VAL 65 1HG2 VAL 65 4.094 17.994 5.096 499 2HG2 VAL 65 2HG2 VAL 65 2.997 18.636 3.874 500 3HG2 VAL 65 3HG2 VAL 65 3.594 19.684 5.161 501 H VAL 66 H VAL 66 7.087 17.206 5.313 502 HA VAL 66 HA VAL 66 9.161 17.037 3.238 503 HB VAL 66 HB VAL 66 9.755 15.954 5.964 504 1HG1 VAL 66 1HG1 VAL 66 11.869 15.717 5.180 505 2HG1 VAL 66 2HG1 VAL 66 11.772 17.138 4.146 506 3HG1 VAL 66 3HG1 VAL 66 11.009 15.628 3.648 507 1HG2 VAL 66 1HG2 VAL 66 11.142 18.147 6.204 508 2HG2 VAL 66 2HG2 VAL 66 9.439 18.135 6.661 509 3HG2 VAL 66 3HG2 VAL 66 9.930 18.814 5.110 510 H THR 67 H THR 67 8.490 15.369 2.002 511 HA THR 67 HA THR 67 8.013 12.832 3.376 512 HB THR 67 HB THR 67 5.783 13.530 2.919 513 HG1 THR 67 1HG THR 67 6.527 11.806 0.802 514 1HG2 THR 67 1HG2 THR 67 6.755 15.037 0.892 515 2HG2 THR 67 2HG2 THR 67 5.050 14.666 1.150 516 3HG2 THR 67 3HG2 THR 67 6.001 13.707 0.016 517 H CYS 68 H CYS 68 8.290 10.955 2.057 518 HA CYS 68 HA CYS 68 9.610 11.307 -0.494 519 1HB CYS 68 2HB CYS 68 11.548 9.836 0.381 520 2HB CYS 68 1HB CYS 68 11.570 11.552 0.749 521 HG CYS 68 HG CYS 68 12.120 9.973 2.842 522 H ILE 69 H ILE 69 9.897 9.361 -1.641 523 HA ILE 69 HA ILE 69 8.479 7.025 -0.573 524 HB ILE 69 HB ILE 69 8.105 8.284 -3.289 525 1HG1 ILE 69 2HG1 ILE 69 5.702 7.697 -1.782 526 2HG1 ILE 69 1HG1 ILE 69 6.790 8.740 -0.871 527 1HG2 ILE 69 1HG2 ILE 69 7.796 6.198 -4.028 528 2HG2 ILE 69 2HG2 ILE 69 6.250 6.300 -3.184 529 3HG2 ILE 69 3HG2 ILE 69 7.637 5.542 -2.399 530 1HD1 ILE 69 1HD1 ILE 69 6.582 9.614 -3.603 531 2HD1 ILE 69 2HD1 ILE 69 6.251 10.490 -2.109 532 3HD1 ILE 69 3HD1 ILE 69 4.994 9.496 -2.846 533 H ILE 70 H ILE 70 9.431 5.099 -1.025 534 HA ILE 70 HA ILE 70 11.922 5.194 -2.581 535 HB ILE 70 HB ILE 70 12.272 2.885 -1.422 536 1HG1 ILE 70 2HG1 ILE 70 9.884 3.048 -0.430 537 2HG1 ILE 70 1HG1 ILE 70 11.183 2.464 0.600 538 1HG2 ILE 70 1HG2 ILE 70 12.839 5.618 -0.589 539 2HG2 ILE 70 2HG2 ILE 70 13.913 4.230 -0.750 540 3HG2 ILE 70 3HG2 ILE 70 12.956 4.438 0.715 541 1HD1 ILE 70 1HD1 ILE 70 9.438 4.228 1.450 542 2HD1 ILE 70 2HD1 ILE 70 10.531 5.362 0.659 543 3HD1 ILE 70 3HD1 ILE 70 11.129 4.308 1.939 544 H MET 71 H MET 71 11.928 4.315 -4.519 545 HA MET 71 HA MET 71 9.899 2.280 -5.152 546 1HB MET 71 2HB MET 71 11.360 4.227 -6.940 547 2HB MET 71 1HB MET 71 10.319 2.942 -7.536 548 1HG MET 71 2HG MET 71 8.411 3.917 -6.440 549 2HG MET 71 1HG MET 71 9.429 5.146 -5.691 550 1HE MET 71 1HE MET 71 8.495 7.905 -7.850 551 2HE MET 71 2HE MET 71 8.782 7.199 -6.260 552 3HE MET 71 3HE MET 71 7.264 6.887 -7.103 553 H GLN 72 H GLN 72 10.600 0.272 -5.328 554 HA GLN 72 HA GLN 72 13.250 -0.552 -5.169 555 1HB GLN 72 2HB GLN 72 10.891 -1.825 -5.022 556 2HB GLN 72 1HB GLN 72 11.363 -2.305 -6.645 557 1HG GLN 72 2HG GLN 72 12.799 -3.800 -5.866 558 2HG GLN 72 1HG GLN 72 13.568 -2.606 -4.822 559 1HE2 GLN 72 1HE2 GLN 72 12.932 -2.436 -2.686 560 2HE2 GLN 72 2HE2 GLN 72 11.957 -3.630 -1.907 561 H LYS 73 H LYS 73 14.669 -1.504 -6.734 562 HA LYS 73 HA LYS 73 15.159 -0.016 -8.965 563 1HB LYS 73 2HB LYS 73 16.847 -1.486 -9.489 564 2HB LYS 73 1HB LYS 73 16.586 -1.846 -7.795 565 1HG LYS 73 2HG LYS 73 15.689 -3.473 -10.164 566 2HG LYS 73 1HG LYS 73 16.932 -3.884 -8.988 567 1HD LYS 73 2HD LYS 73 15.436 -4.601 -7.463 568 2HD LYS 73 1HD LYS 73 14.278 -3.332 -7.847 569 1HE LYS 73 2HE LYS 73 13.063 -4.852 -8.911 570 2HE LYS 73 1HE LYS 73 14.349 -4.964 -10.111 571 1HZ LYS 73 1HZ LYS 73 14.215 -7.121 -9.446 572 2HZ LYS 73 2HZ LYS 73 13.746 -6.743 -7.866 573 3HZ LYS 73 3HZ LYS 73 15.363 -6.573 -8.330 574 H ASN 74 H ASN 74 13.512 0.479 -10.283 575 HA ASN 74 HA ASN 74 11.859 0.343 -11.805 576 1HB ASN 74 2HB ASN 74 12.263 -1.636 -13.538 577 2HB ASN 74 1HB ASN 74 13.257 -0.187 -13.536 578 1HD2 ASN 74 1HD2 ASN 74 15.282 -0.327 -12.262 579 2HD2 ASN 74 2HD2 ASN 74 16.143 -1.825 -12.285 580 H GLY 75 H GLY 75 12.222 -3.150 -11.976 581 1HA GLY 75 2HA GLY 75 10.443 -4.684 -11.868 582 2HA GLY 75 1HA GLY 75 10.898 -4.436 -10.199 583 H ALA 76 H ALA 76 9.675 -2.722 -9.030 584 HA ALA 76 HA ALA 76 6.843 -3.147 -9.499 585 1HB ALA 76 1HB ALA 76 8.477 -2.058 -7.256 586 2HB ALA 76 2HB ALA 76 7.302 -3.372 -7.261 587 3HB ALA 76 3HB ALA 76 6.752 -1.697 -7.326 588 H GLY 77 H GLY 77 5.327 -1.637 -10.010 589 1HA GLY 77 2HA GLY 77 6.264 1.116 -10.504 590 2HA GLY 77 1HA GLY 77 5.359 0.247 -11.736 591 H LEU 78 H LEU 78 5.151 2.289 -9.063 592 HA LEU 78 HA LEU 78 2.265 1.758 -8.789 593 1HB LEU 78 2HB LEU 78 3.452 1.377 -6.716 594 2HB LEU 78 1HB LEU 78 4.214 2.952 -6.821 595 HG LEU 78 HG LEU 78 1.243 2.883 -6.756 596 1HD1 LEU 78 1HD1 LEU 78 2.361 1.275 -4.979 597 2HD1 LEU 78 2HD1 LEU 78 1.005 2.325 -4.560 598 3HD1 LEU 78 3HD1 LEU 78 2.652 2.802 -4.144 599 1HD2 LEU 78 1HD2 LEU 78 1.459 5.024 -6.097 600 2HD2 LEU 78 2HD2 LEU 78 3.082 4.867 -6.768 601 3HD2 LEU 78 3HD2 LEU 78 2.822 4.670 -5.035 602 H HIS 79 H HIS 79 0.820 3.411 -8.979 603 HA HIS 79 HA HIS 79 1.912 6.012 -9.837 604 1HB HIS 79 2HB HIS 79 -0.321 4.342 -10.883 605 2HB HIS 79 1HB HIS 79 -0.527 6.090 -10.920 606 HD1 HIS 79 1HD HIS 79 2.120 3.576 -12.007 607 HD2 HIS 79 2HD HIS 79 0.450 7.194 -13.183 608 HE1 HIS 79 1HE HIS 79 3.219 4.143 -14.197 609 HE2 HIS 79 2HE HIS 79 2.145 6.304 -14.921 610 H THR 80 H THR 80 0.934 7.891 -9.082 611 HA THR 80 HA THR 80 -1.053 7.538 -6.935 612 HB THR 80 HB THR 80 1.289 9.452 -6.943 613 HG1 THR 80 1HG THR 80 2.265 7.775 -6.166 614 1HG2 THR 80 1HG2 THR 80 -0.110 10.619 -5.605 615 2HG2 THR 80 2HG2 THR 80 0.504 9.474 -4.413 616 3HG2 THR 80 3HG2 THR 80 -1.063 9.200 -5.172 617 H ALA 81 H ALA 81 -2.480 9.316 -6.567 618 HA ALA 81 HA ALA 81 -2.540 11.358 -8.684 619 1HB ALA 81 1HB ALA 81 -5.082 11.050 -8.710 620 2HB ALA 81 2HB ALA 81 -4.772 9.480 -7.972 621 3HB ALA 81 3HB ALA 81 -4.110 9.851 -9.560 622 H ALA 82 H ALA 82 -3.645 13.303 -8.076 623 HA ALA 82 HA ALA 82 -4.713 13.503 -5.415 624 1HB ALA 82 1HB ALA 82 -2.173 14.971 -6.019 625 2HB ALA 82 2HB ALA 82 -2.300 13.526 -5.015 626 3HB ALA 82 3HB ALA 82 -3.098 15.018 -4.518 627 H SER 83 H SER 83 -5.747 15.374 -4.936 628 HA SER 83 HA SER 83 -5.893 17.509 -6.912 629 1HB SER 83 2HB SER 83 -7.682 15.746 -7.389 630 2HB SER 83 1HB SER 83 -8.399 16.188 -5.842 631 HG SER 83 HG SER 83 -9.361 17.379 -7.497 632 H CYS 84 H CYS 84 -5.556 19.313 -5.758 633 HA CYS 84 HA CYS 84 -6.414 19.348 -2.948 634 1HB CYS 84 2HB CYS 84 -3.936 19.769 -3.885 635 2HB CYS 84 1HB CYS 84 -4.557 21.412 -3.924 636 HG CYS 84 HG CYS 84 -3.689 19.943 -1.461 637 H TRP 85 H TRP 85 -7.392 21.179 -2.058 638 HA TRP 85 HA TRP 85 -9.172 22.536 -3.857 639 1HB TRP 85 2HB TRP 85 -9.314 21.812 -1.227 640 2HB TRP 85 1HB TRP 85 -8.965 23.532 -1.087 641 HD1 TRP 85 HD TRP 85 -11.470 21.315 -3.057 642 HE1 TRP 85 1HE TRP 85 -13.733 22.532 -3.104 643 HE3 TRP 85 3HE TRP 85 -10.146 25.577 -0.566 644 HZ2 TRP 85 2HZ TRP 85 -14.818 24.982 -2.202 645 HZ3 TRP 85 3HZ TRP 85 -11.855 27.308 -0.199 646 HH2 TRP 85 HH TRP 85 -14.143 27.015 -1.001 647 H TRP 86 H TRP 86 -9.309 25.100 -2.603 648 HA TRP 86 HA TRP 86 -7.051 26.349 -3.930 649 1HB TRP 86 2HB TRP 86 -9.637 27.367 -2.786 650 2HB TRP 86 1HB TRP 86 -8.347 28.481 -3.231 651 HD1 TRP 86 HD TRP 86 -11.004 26.220 -4.735 652 HE1 TRP 86 1HE TRP 86 -11.134 26.649 -7.270 653 HE3 TRP 86 3HE TRP 86 -6.885 29.204 -5.268 654 HZ2 TRP 86 2HZ TRP 86 -9.682 28.062 -9.236 655 HZ3 TRP 86 3HZ TRP 86 -6.325 30.051 -7.510 656 HH2 TRP 86 HH TRP 86 -7.695 29.491 -9.451 657 H ASP 87 H ASP 87 -5.432 27.472 -2.983 658 HA ASP 87 HA ASP 87 -5.386 28.575 -0.431 659 1HB ASP 87 2HB ASP 87 -5.394 25.870 -0.141 660 2HB ASP 87 1HB ASP 87 -3.663 26.182 -0.210 661 H SER 88 H SER 88 -4.135 30.198 -1.168 662 HA SER 88 HA SER 88 -1.833 29.697 -2.833 663 1HB SER 88 2HB SER 88 -3.288 32.099 -1.857 664 2HB SER 88 1HB SER 88 -1.592 32.306 -2.291 665 HG SER 88 HG SER 88 -2.835 32.648 -4.114 666 H THR 89 H THR 89 -2.455 30.384 0.537 667 HA THR 89 HA THR 89 0.144 31.176 1.282 668 HB THR 89 HB THR 89 -1.773 31.566 2.729 669 HG1 THR 89 1HG THR 89 -0.521 31.415 4.391 670 1HG2 THR 89 1HG2 THR 89 -1.846 28.606 3.239 671 2HG2 THR 89 2HG2 THR 89 -3.014 29.487 2.253 672 3HG2 THR 89 3HG2 THR 89 -2.867 29.842 3.974 673 H THR 90 H THR 90 -1.441 28.002 1.350 674 HA THR 90 HA THR 90 1.034 26.706 2.124 675 HB THR 90 HB THR 90 -0.526 24.631 1.898 676 HG1 THR 90 1HG THR 90 -2.651 25.038 1.786 677 1HG2 THR 90 1HG2 THR 90 -0.722 26.765 3.963 678 2HG2 THR 90 2HG2 THR 90 -0.070 25.131 4.088 679 3HG2 THR 90 3HG2 THR 90 -1.815 25.382 4.028 680 H ASP 91 H ASP 91 1.930 27.596 -0.021 681 HA ASP 91 HA ASP 91 1.605 25.490 -2.038 682 1HB ASP 91 2HB ASP 91 0.318 27.487 -2.742 683 2HB ASP 91 1HB ASP 91 1.799 28.437 -2.678 684 H GLY 92 H GLY 92 3.417 24.568 -2.549 685 1HA GLY 92 2HA GLY 92 5.857 26.035 -2.970 686 2HA GLY 92 1HA GLY 92 5.904 25.008 -1.542 687 H SER 93 H SER 93 5.276 22.738 -1.873 688 HA SER 93 HA SER 93 5.858 20.721 -2.751 689 1HB SER 93 2HB SER 93 4.774 21.641 -5.378 690 2HB SER 93 1HB SER 93 4.506 20.122 -4.524 691 HG SER 93 HG SER 93 3.449 22.671 -3.860 692 H ARG 94 H ARG 94 7.932 20.217 -2.992 693 HA ARG 94 HA ARG 94 9.152 20.689 -5.592 694 1HB ARG 94 2HB ARG 94 11.336 21.057 -3.896 695 2HB ARG 94 1HB ARG 94 10.563 22.276 -4.889 696 1HG ARG 94 2HG ARG 94 8.992 22.402 -2.700 697 2HG ARG 94 1HG ARG 94 10.512 21.893 -1.969 698 1HD ARG 94 2HD ARG 94 11.615 23.817 -2.639 699 2HD ARG 94 1HD ARG 94 10.461 24.141 -3.932 700 HE ARG 94 HE ARG 94 9.429 24.300 -1.224 701 1HH1 ARG 94 1HH1 ARG 94 10.734 26.060 -3.955 702 2HH1 ARG 94 2HH1 ARG 94 10.052 27.569 -3.456 703 1HH2 ARG 94 1HH2 ARG 94 8.548 26.289 -0.579 704 2HH2 ARG 94 2HH2 ARG 94 8.819 27.701 -1.544 705 H THR 95 H THR 95 9.202 18.592 -6.161 706 HA THR 95 HA THR 95 10.118 16.594 -4.269 707 HB THR 95 HB THR 95 8.115 16.151 -5.619 708 HG1 THR 95 1HG THR 95 8.617 14.095 -5.772 709 1HG2 THR 95 1HG2 THR 95 10.005 15.999 -7.942 710 2HG2 THR 95 2HG2 THR 95 8.798 17.259 -7.685 711 3HG2 THR 95 3HG2 THR 95 8.290 15.590 -7.944 712 H VAL 96 H VAL 96 11.803 15.136 -4.639 713 HA VAL 96 HA VAL 96 13.763 15.945 -6.685 714 HB VAL 96 HB VAL 96 14.525 15.038 -3.908 715 1HG1 VAL 96 1HG1 VAL 96 15.985 15.799 -6.364 716 2HG1 VAL 96 2HG1 VAL 96 16.407 14.641 -5.103 717 3HG1 VAL 96 3HG1 VAL 96 16.653 16.367 -4.834 718 1HG2 VAL 96 1HG2 VAL 96 15.269 17.514 -3.736 719 2HG2 VAL 96 2HG2 VAL 96 13.582 17.097 -3.436 720 3HG2 VAL 96 3HG2 VAL 96 14.057 17.786 -4.988 721 H ARG 97 H ARG 97 14.978 14.263 -7.594 722 HA ARG 97 HA ARG 97 14.091 11.552 -6.843 723 1HB ARG 97 2HB ARG 97 13.265 12.474 -9.070 724 2HB ARG 97 1HB ARG 97 14.934 12.372 -9.615 725 1HG ARG 97 2HG ARG 97 13.971 10.401 -10.377 726 2HG ARG 97 1HG ARG 97 14.817 9.914 -8.908 727 1HD ARG 97 2HD ARG 97 12.600 8.915 -8.997 728 2HD ARG 97 1HD ARG 97 12.719 10.055 -7.657 729 HE ARG 97 HE ARG 97 11.102 11.330 -8.646 730 1HH1 ARG 97 1HH1 ARG 97 12.372 9.114 -11.038 731 2HH1 ARG 97 2HH1 ARG 97 11.185 9.530 -12.227 732 1HH2 ARG 97 1HH2 ARG 97 9.547 11.868 -10.214 733 2HH2 ARG 97 2HH2 ARG 97 9.583 11.091 -11.761 734 H TRP 98 H TRP 98 15.691 10.553 -5.830 735 HA TRP 98 HA TRP 98 18.475 11.035 -6.643 736 1HB TRP 98 2HB TRP 98 17.114 10.177 -4.156 737 2HB TRP 98 1HB TRP 98 18.600 9.313 -4.502 738 HD1 TRP 98 HD TRP 98 17.649 11.859 -2.350 739 HE1 TRP 98 1HE TRP 98 19.492 13.599 -1.928 740 HE3 TRP 98 3HE TRP 98 20.695 10.875 -6.347 741 HZ2 TRP 98 2HZ TRP 98 21.859 14.475 -3.100 742 HZ3 TRP 98 3HZ TRP 98 22.739 12.218 -6.615 743 HH2 TRP 98 HH TRP 98 23.312 13.979 -5.024 744 H GLU 99 H GLU 99 19.851 9.295 -7.146 745 HA GLU 99 HA GLU 99 18.715 6.647 -7.500 746 1HB GLU 99 2HB GLU 99 20.036 8.068 -9.809 747 2HB GLU 99 1HB GLU 99 19.296 6.474 -9.826 748 1HG GLU 99 2HG GLU 99 17.127 7.680 -9.208 749 2HG GLU 99 1HG GLU 99 17.967 9.154 -9.687 750 H ASN 100 H ASN 100 20.205 5.064 -7.197 751 HA ASN 100 HA ASN 100 22.985 5.946 -6.803 752 1HB ASN 100 2HB ASN 100 23.009 3.615 -5.506 753 2HB ASN 100 1HB ASN 100 22.508 5.112 -4.733 754 1HD2 ASN 100 1HD2 ASN 100 21.772 1.989 -4.966 755 2HD2 ASN 100 2HD2 ASN 100 20.064 2.041 -4.711 756 H LYS 101 H LYS 101 21.667 2.674 -7.260 757 HA LYS 101 HA LYS 101 23.458 2.399 -9.582 758 1HB LYS 101 2HB LYS 101 23.729 0.029 -8.961 759 2HB LYS 101 1HB LYS 101 24.319 1.122 -7.717 760 1HG LYS 101 2HG LYS 101 23.146 -0.139 -6.305 761 2HG LYS 101 1HG LYS 101 21.734 0.712 -6.932 762 1HD LYS 101 2HD LYS 101 20.985 -1.366 -7.377 763 2HD LYS 101 1HD LYS 101 22.024 -1.231 -8.797 764 1HE LYS 101 2HE LYS 101 23.427 -2.802 -8.046 765 2HE LYS 101 1HE LYS 101 23.459 -2.119 -6.421 766 1HZ LYS 101 1HZ LYS 101 22.487 -4.441 -6.724 767 2HZ LYS 101 2HZ LYS 101 21.134 -3.668 -7.383 768 3HZ LYS 101 3HZ LYS 101 21.602 -3.341 -5.790 769 H SER 102 H SER 102 20.359 1.466 -8.161 770 HA SER 102 HA SER 102 19.287 1.119 -10.835 771 1HB SER 102 2HB SER 102 20.233 -1.127 -9.833 772 2HB SER 102 1HB SER 102 18.723 -1.113 -8.925 773 HG SER 102 HG SER 102 19.171 -1.607 -11.582 774 H MET 103 H MET 103 18.632 0.878 -7.348 775 HA MET 103 HA MET 103 15.832 1.285 -7.610 776 1HB MET 103 2HB MET 103 17.203 0.316 -5.612 777 2HB MET 103 1HB MET 103 17.337 1.999 -5.117 778 1HG MET 103 2HG MET 103 15.004 2.216 -4.868 779 2HG MET 103 1HG MET 103 14.700 0.698 -5.709 780 1HE MET 103 1HE MET 103 13.075 0.853 -3.770 781 2HE MET 103 2HE MET 103 13.650 1.372 -2.186 782 3HE MET 103 3HE MET 103 13.310 -0.332 -2.485 783 H TYR 104 H TYR 104 14.673 3.165 -6.631 784 HA TYR 104 HA TYR 104 16.116 5.690 -7.117 785 1HB TYR 104 2HB TYR 104 13.242 5.178 -7.897 786 2HB TYR 104 1HB TYR 104 14.195 6.618 -8.238 787 HD1 TYR 104 1HD TYR 104 16.702 5.543 -9.247 788 HD2 TYR 104 2HD TYR 104 12.721 4.213 -9.936 789 HE1 TYR 104 1HE TYR 104 17.404 4.571 -11.395 790 HE2 TYR 104 2HE TYR 104 13.412 3.237 -12.085 791 HH TYR 104 HH TYR 104 16.404 3.921 -13.537 792 H CYS 105 H CYS 105 15.810 7.274 -5.663 793 HA CYS 105 HA CYS 105 13.796 6.826 -3.555 794 1HB CYS 105 2HB CYS 105 16.638 7.806 -3.355 795 2HB CYS 105 1HB CYS 105 15.456 8.145 -2.095 796 HG CYS 105 HG CYS 105 15.360 5.259 -2.361 797 H ILE 106 H ILE 106 12.207 8.249 -3.891 798 HA ILE 106 HA ILE 106 12.888 10.934 -4.845 799 HB ILE 106 HB ILE 106 11.229 9.876 -6.200 800 1HG1 ILE 106 2HG1 ILE 106 9.375 11.556 -4.603 801 2HG1 ILE 106 1HG1 ILE 106 10.849 12.334 -5.173 802 1HG2 ILE 106 1HG2 ILE 106 9.041 9.160 -5.194 803 2HG2 ILE 106 2HG2 ILE 106 9.819 9.295 -3.619 804 3HG2 ILE 106 3HG2 ILE 106 10.434 8.150 -4.810 805 1HD1 ILE 106 1HD1 ILE 106 9.535 10.793 -7.246 806 2HD1 ILE 106 2HD1 ILE 106 10.077 12.471 -7.250 807 3HD1 ILE 106 3HD1 ILE 106 8.502 12.054 -6.572 808 H CYS 107 H CYS 107 12.585 12.720 -3.634 809 HA CYS 107 HA CYS 107 11.075 12.513 -1.134 810 1HB CYS 107 2HB CYS 107 13.820 13.767 -1.237 811 2HB CYS 107 1HB CYS 107 12.826 13.474 0.187 812 HG CYS 107 HG CYS 107 14.228 11.195 -1.402 813 H THR 108 H THR 108 9.663 14.147 -1.019 814 HA THR 108 HA THR 108 10.289 16.599 -2.509 815 HB THR 108 HB THR 108 8.341 15.197 -3.312 816 HG1 THR 108 1HG THR 108 7.305 16.982 -3.895 817 1HG2 THR 108 1HG2 THR 108 7.388 14.566 -1.141 818 2HG2 THR 108 2HG2 THR 108 6.217 15.398 -2.164 819 3HG2 THR 108 3HG2 THR 108 6.993 16.256 -0.834 820 H VAL 109 H VAL 109 9.670 18.587 -1.696 821 HA VAL 109 HA VAL 109 9.025 18.662 1.163 822 HB VAL 109 HB VAL 109 10.673 20.932 0.276 823 1HG1 VAL 109 1HG1 VAL 109 11.652 20.706 2.443 824 2HG1 VAL 109 2HG1 VAL 109 10.986 19.084 2.632 825 3HG1 VAL 109 3HG1 VAL 109 9.909 20.480 2.596 826 1HG2 VAL 109 1HG2 VAL 109 12.788 19.459 0.744 827 2HG2 VAL 109 2HG2 VAL 109 12.115 19.592 -0.882 828 3HG2 VAL 109 3HG2 VAL 109 11.767 18.171 0.105 829 H PHE 110 H PHE 110 7.258 19.881 1.533 830 HA PHE 110 HA PHE 110 6.474 21.748 -0.587 831 1HB PHE 110 2HB PHE 110 4.805 20.215 1.359 832 2HB PHE 110 1HB PHE 110 4.177 21.616 0.526 833 HD1 PHE 110 1HD PHE 110 2.709 20.958 -1.091 834 HD2 PHE 110 2HD PHE 110 6.302 18.738 -0.565 835 HE1 PHE 110 1HE PHE 110 2.115 19.551 -3.018 836 HE2 PHE 110 2HE PHE 110 5.713 17.333 -2.496 837 HZ PHE 110 HZ PHE 110 3.619 17.736 -3.724 838 H GLY 111 H GLY 111 7.314 23.620 -0.109 839 1HA GLY 111 2HA GLY 111 7.476 24.601 2.608 840 2HA GLY 111 1HA GLY 111 8.012 25.443 1.159 841 H LEU 112 H LEU 112 5.408 24.896 3.359 842 HA LEU 112 HA LEU 112 3.588 26.562 1.804 843 1HB LEU 112 2HB LEU 112 3.264 24.909 4.298 844 2HB LEU 112 1HB LEU 112 2.007 25.974 3.710 845 HG LEU 112 HG LEU 112 1.427 24.573 1.991 846 1HD1 LEU 112 1HD1 LEU 112 3.744 24.615 0.978 847 2HD1 LEU 112 2HD1 LEU 112 2.803 23.145 0.735 848 3HD1 LEU 112 3HD1 LEU 112 4.074 23.185 1.948 849 1HD2 LEU 112 1HD2 LEU 112 2.772 22.566 3.763 850 2HD2 LEU 112 2HD2 LEU 112 1.350 22.330 2.745 851 3HD2 LEU 112 3HD2 LEU 112 1.256 23.375 4.164 852 H ALA 113 H ALA 113 3.376 28.656 2.139 853 HA ALA 113 HA ALA 113 4.887 30.065 4.053 854 1HB ALA 113 1HB ALA 113 4.072 31.983 3.091 855 2HB ALA 113 2HB ALA 113 2.471 31.297 2.816 856 3HB ALA 113 3HB ALA 113 3.822 30.824 1.786 857 H ILE 114 H ILE 114 4.295 28.973 6.031 858 HA ILE 114 HA ILE 114 3.243 28.874 8.048 859 HB ILE 114 HB ILE 114 1.695 31.310 7.172 860 1HG1 ILE 114 2HG1 ILE 114 4.337 31.317 8.630 861 2HG1 ILE 114 1HG1 ILE 114 4.226 31.470 6.880 862 1HG2 ILE 114 1HG2 ILE 114 2.616 30.714 9.952 863 2HG2 ILE 114 2HG2 ILE 114 1.163 29.942 9.316 864 3HG2 ILE 114 3HG2 ILE 114 1.259 31.700 9.406 865 1HD1 ILE 114 1HD1 ILE 114 4.037 33.492 8.823 866 2HD1 ILE 114 2HD1 ILE 114 2.443 33.336 8.084 867 3HD1 ILE 114 3HD1 ILE 114 3.857 33.637 7.075 868 1H MET 1 1HT MET 1 -17.033 -9.773 -6.688 869 HA MET 1 HA MET 1 -16.469 -11.410 -5.482 870 1HB MET 1 2HB MET 1 -17.931 -13.405 -5.216 871 2HB MET 1 1HB MET 1 -18.785 -11.886 -4.987 872 1HG MET 1 2HG MET 1 -20.300 -12.841 -6.332 873 2HG MET 1 1HG MET 1 -19.226 -12.273 -7.608 874 1HE MET 1 1HE MET 1 -19.110 -16.132 -5.468 875 2HE MET 1 2HE MET 1 -20.622 -16.180 -6.375 876 3HE MET 1 3HE MET 1 -20.294 -14.838 -5.279 877 H GLU 2 H GLU 2 -16.092 -14.012 -5.731 878 HA GLU 2 HA GLU 2 -14.868 -15.613 -6.782 879 1HB GLU 2 2HB GLU 2 -16.788 -15.696 -8.309 880 2HB GLU 2 1HB GLU 2 -16.081 -14.410 -9.278 881 1HG GLU 2 2HG GLU 2 -14.156 -15.886 -9.755 882 2HG GLU 2 1HG GLU 2 -14.970 -17.178 -8.874 883 H GLY 3 H GLY 3 -12.881 -14.708 -6.154 884 1HA GLY 3 2HA GLY 3 -10.682 -14.257 -6.789 885 2HA GLY 3 1HA GLY 3 -11.257 -13.834 -8.394 886 H VAL 4 H VAL 4 -12.921 -11.812 -8.110 887 HA VAL 4 HA VAL 4 -11.215 -9.637 -7.400 888 HB VAL 4 HB VAL 4 -14.160 -9.501 -8.051 889 1HG1 VAL 4 1HG1 VAL 4 -12.086 -7.418 -8.636 890 2HG1 VAL 4 2HG1 VAL 4 -12.885 -7.496 -7.065 891 3HG1 VAL 4 3HG1 VAL 4 -13.838 -7.244 -8.526 892 1HG2 VAL 4 1HG2 VAL 4 -13.201 -8.932 -10.384 893 2HG2 VAL 4 2HG2 VAL 4 -13.309 -10.624 -9.897 894 3HG2 VAL 4 3HG2 VAL 4 -11.761 -9.781 -9.821 895 H ASP 5 H ASP 5 -10.995 -8.684 -5.488 896 HA ASP 5 HA ASP 5 -13.149 -9.002 -3.501 897 1HB ASP 5 2HB ASP 5 -10.670 -10.056 -3.250 898 2HB ASP 5 1HB ASP 5 -10.407 -8.474 -2.525 899 HA PRO 6 HA PRO 6 -13.080 -4.489 -4.285 900 1HB PRO 6 2HB PRO 6 -15.382 -4.671 -2.419 901 2HB PRO 6 1HB PRO 6 -15.263 -3.865 -3.987 902 1HG PRO 6 2HG PRO 6 -16.613 -6.145 -3.729 903 2HG PRO 6 1HG PRO 6 -15.629 -5.826 -5.169 904 1HD PRO 6 2HD PRO 6 -15.029 -7.564 -2.810 905 2HD PRO 6 1HD PRO 6 -14.687 -7.840 -4.530 906 H ALA 7 H ALA 7 -11.462 -3.563 -3.194 907 HA ALA 7 HA ALA 7 -10.361 -2.454 -1.540 908 1HB ALA 7 1HB ALA 7 -11.886 -2.535 0.763 909 2HB ALA 7 2HB ALA 7 -13.081 -2.579 -0.534 910 3HB ALA 7 3HB ALA 7 -11.905 -1.269 -0.464 911 H VAL 8 H VAL 8 -12.118 -5.099 0.086 912 HA VAL 8 HA VAL 8 -11.413 -6.894 1.293 913 HB VAL 8 HB VAL 8 -8.499 -6.602 0.969 914 1HG1 VAL 8 1HG1 VAL 8 -9.892 -8.986 -0.022 915 2HG1 VAL 8 2HG1 VAL 8 -10.195 -8.583 1.668 916 3HG1 VAL 8 3HG1 VAL 8 -8.543 -8.833 1.103 917 1HG2 VAL 8 1HG2 VAL 8 -8.931 -7.698 -1.450 918 2HG2 VAL 8 2HG2 VAL 8 -8.542 -6.001 -1.184 919 3HG2 VAL 8 3HG2 VAL 8 -10.219 -6.492 -1.412 920 H GLU 9 H GLU 9 -8.762 -4.546 1.508 921 HA GLU 9 HA GLU 9 -9.210 -4.418 4.411 922 1HB GLU 9 2HB GLU 9 -6.833 -5.110 2.857 923 2HB GLU 9 1HB GLU 9 -6.533 -3.869 4.052 924 1HG GLU 9 2HG GLU 9 -8.080 -6.155 5.027 925 2HG GLU 9 1HG GLU 9 -6.434 -6.533 4.519 926 H GLU 10 H GLU 10 -10.359 -2.500 4.352 927 HA GLU 10 HA GLU 10 -9.417 -0.209 2.905 928 1HB GLU 10 2HB GLU 10 -11.850 -0.901 3.750 929 2HB GLU 10 1HB GLU 10 -11.376 0.085 5.126 930 1HG GLU 10 2HG GLU 10 -12.511 1.537 3.689 931 2HG GLU 10 1HG GLU 10 -10.802 1.896 3.450 932 H ALA 11 H ALA 11 -8.588 1.718 3.755 933 HA ALA 11 HA ALA 11 -7.276 1.411 6.375 934 1HB ALA 11 1HB ALA 11 -5.562 1.583 4.813 935 2HB ALA 11 2HB ALA 11 -5.728 3.233 5.413 936 3HB ALA 11 3HB ALA 11 -6.423 2.787 3.854 937 H ALA 12 H ALA 12 -6.910 3.431 7.588 938 HA ALA 12 HA ALA 12 -7.656 5.303 8.643 939 1HB ALA 12 1HB ALA 12 -7.217 6.417 6.539 940 2HB ALA 12 2HB ALA 12 -8.676 7.076 7.276 941 3HB ALA 12 3HB ALA 12 -8.802 5.945 5.930 942 H PHE 13 H PHE 13 -9.380 5.920 9.896 943 HA PHE 13 HA PHE 13 -12.044 4.948 9.188 944 1HB PHE 13 2HB PHE 13 -10.539 3.420 10.829 945 2HB PHE 13 1HB PHE 13 -11.271 4.499 12.012 946 HD1 PHE 13 1HD PHE 13 -11.794 1.723 9.761 947 HD2 PHE 13 2HD PHE 13 -13.736 4.590 12.237 948 HE1 PHE 13 1HE PHE 13 -13.844 0.364 9.720 949 HE2 PHE 13 2HE PHE 13 -15.789 3.235 12.201 950 HZ PHE 13 HZ PHE 13 -15.845 1.119 10.942 951 H VAL 14 H VAL 14 -10.757 7.595 9.378 952 HA VAL 14 HA VAL 14 -12.441 8.766 11.499 953 HB VAL 14 HB VAL 14 -10.019 10.110 10.306 954 1HG1 VAL 14 1HG1 VAL 14 -11.330 10.605 12.964 955 2HG1 VAL 14 2HG1 VAL 14 -11.847 11.421 11.489 956 3HG1 VAL 14 3HG1 VAL 14 -10.203 11.638 12.087 957 1HG2 VAL 14 1HG2 VAL 14 -8.695 9.381 12.148 958 2HG2 VAL 14 2HG2 VAL 14 -9.432 7.944 11.438 959 3HG2 VAL 14 3HG2 VAL 14 -10.084 8.627 12.927 960 H ALA 15 H ALA 15 -13.669 10.590 11.006 961 HA ALA 15 HA ALA 15 -14.993 11.918 9.715 962 1HB ALA 15 1HB ALA 15 -13.874 12.754 7.542 963 2HB ALA 15 2HB ALA 15 -12.444 11.917 8.144 964 3HB ALA 15 3HB ALA 15 -13.169 13.215 9.092 965 H ASP 16 H ASP 16 -16.362 10.018 9.480 966 HA ASP 16 HA ASP 16 -16.248 8.178 7.412 967 1HB ASP 16 2HB ASP 16 -18.738 7.971 7.749 968 2HB ASP 16 1HB ASP 16 -17.770 7.815 9.213 969 H ASP 17 H ASP 17 -17.887 11.334 7.466 970 HA ASP 17 HA ASP 17 -19.130 11.215 4.992 971 1HB ASP 17 2HB ASP 17 -19.020 13.713 5.027 972 2HB ASP 17 1HB ASP 17 -19.631 13.004 6.518 973 H VAL 18 H VAL 18 -15.805 12.134 5.757 974 HA VAL 18 HA VAL 18 -15.196 12.833 3.020 975 HB VAL 18 HB VAL 18 -13.198 12.323 5.219 976 1HG1 VAL 18 1HG1 VAL 18 -11.695 13.560 3.950 977 2HG1 VAL 18 2HG1 VAL 18 -12.969 14.316 2.995 978 3HG1 VAL 18 3HG1 VAL 18 -12.561 12.620 2.735 979 1HG2 VAL 18 1HG2 VAL 18 -14.758 14.835 4.637 980 2HG2 VAL 18 2HG2 VAL 18 -13.329 14.765 5.669 981 3HG2 VAL 18 3HG2 VAL 18 -14.787 13.880 6.119 982 H SER 19 H SER 19 -14.892 10.046 5.094 983 HA SER 19 HA SER 19 -13.035 8.603 3.547 984 1HB SER 19 2HB SER 19 -15.182 7.490 5.362 985 2HB SER 19 1HB SER 19 -13.708 6.668 4.847 986 HG SER 19 HG SER 19 -14.047 8.249 6.941 987 H ASN 20 H ASN 20 -16.592 8.609 3.547 988 HA ASN 20 HA ASN 20 -16.762 6.561 1.572 989 1HB ASN 20 2HB ASN 20 -19.178 7.489 1.309 990 2HB ASN 20 1HB ASN 20 -18.718 6.683 2.801 991 1HD2 ASN 20 1HD2 ASN 20 -18.801 9.929 1.365 992 2HD2 ASN 20 2HD2 ASN 20 -19.297 10.734 2.807 993 H ILE 21 H ILE 21 -16.632 10.079 1.381 994 HA ILE 21 HA ILE 21 -17.486 10.403 -1.258 995 HB ILE 21 HB ILE 21 -15.476 12.001 0.354 996 1HG1 ILE 21 2HG1 ILE 21 -18.264 12.768 -0.485 997 2HG1 ILE 21 1HG1 ILE 21 -17.939 11.891 1.004 998 1HG2 ILE 21 1HG2 ILE 21 -15.705 13.799 -1.294 999 2HG2 ILE 21 2HG2 ILE 21 -16.687 12.747 -2.312 1000 3HG2 ILE 21 3HG2 ILE 21 -14.992 12.357 -2.018 1001 1HD1 ILE 21 1HD1 ILE 21 -17.088 14.663 0.255 1002 2HD1 ILE 21 2HD1 ILE 21 -16.378 13.786 1.609 1003 3HD1 ILE 21 3HD1 ILE 21 -18.103 14.152 1.603 1004 H ILE 22 H ILE 22 -14.124 9.990 -0.082 1005 HA ILE 22 HA ILE 22 -12.966 9.960 -2.626 1006 HB ILE 22 HB ILE 22 -11.620 10.272 -0.622 1007 1HG1 ILE 22 2HG1 ILE 22 -9.781 8.590 -1.175 1008 2HG1 ILE 22 1HG1 ILE 22 -10.894 7.916 -2.361 1009 1HG2 ILE 22 1HG2 ILE 22 -11.087 8.506 0.901 1010 2HG2 ILE 22 2HG2 ILE 22 -12.019 7.345 -0.046 1011 3HG2 ILE 22 3HG2 ILE 22 -12.842 8.656 0.802 1012 1HD1 ILE 22 1HD1 ILE 22 -11.005 10.136 -3.445 1013 2HD1 ILE 22 2HD1 ILE 22 -9.391 9.426 -3.451 1014 3HD1 ILE 22 3HD1 ILE 22 -9.786 10.711 -2.309 1015 H LYS 23 H LYS 23 -13.927 7.172 -0.574 1016 HA LYS 23 HA LYS 23 -13.214 5.210 -2.415 1017 1HB LYS 23 2HB LYS 23 -15.392 5.154 -0.338 1018 2HB LYS 23 1HB LYS 23 -14.735 3.740 -1.148 1019 1HG LYS 23 2HG LYS 23 -12.586 4.098 -0.165 1020 2HG LYS 23 1HG LYS 23 -13.111 5.631 0.524 1021 1HD LYS 23 2HD LYS 23 -13.885 2.837 1.316 1022 2HD LYS 23 1HD LYS 23 -13.179 4.112 2.291 1023 1HE LYS 23 2HE LYS 23 -15.280 5.372 2.165 1024 2HE LYS 23 1HE LYS 23 -15.990 4.068 1.217 1025 1HZ LYS 23 1HZ LYS 23 -14.891 3.671 3.940 1026 2HZ LYS 23 2HZ LYS 23 -15.856 2.605 3.048 1027 3HZ LYS 23 3HZ LYS 23 -16.515 4.044 3.647 1028 H GLU 24 H GLU 24 -16.357 6.647 -1.722 1029 HA GLU 24 HA GLU 24 -17.920 5.377 -3.621 1030 1HB GLU 24 2HB GLU 24 -18.015 8.190 -2.531 1031 2HB GLU 24 1HB GLU 24 -19.216 7.610 -3.662 1032 1HG GLU 24 2HG GLU 24 -18.818 5.790 -1.435 1033 2HG GLU 24 1HG GLU 24 -19.325 7.399 -0.926 1034 H SER 25 H SER 25 -15.664 8.026 -3.999 1035 HA SER 25 HA SER 25 -16.368 8.667 -6.680 1036 1HB SER 25 2HB SER 25 -14.956 10.004 -4.884 1037 2HB SER 25 1HB SER 25 -13.605 9.152 -5.630 1038 HG SER 25 HG SER 25 -14.154 10.065 -7.598 1039 H ILE 26 H ILE 26 -13.763 6.634 -5.255 1040 HA ILE 26 HA ILE 26 -12.543 5.920 -7.683 1041 HB ILE 26 HB ILE 26 -12.681 4.573 -4.997 1042 1HG1 ILE 26 2HG1 ILE 26 -10.148 4.845 -5.345 1043 2HG1 ILE 26 1HG1 ILE 26 -10.593 5.881 -6.698 1044 1HG2 ILE 26 1HG2 ILE 26 -10.845 3.003 -6.065 1045 2HG2 ILE 26 2HG2 ILE 26 -11.782 3.286 -7.532 1046 3HG2 ILE 26 3HG2 ILE 26 -12.555 2.573 -6.117 1047 1HD1 ILE 26 1HD1 ILE 26 -11.519 6.288 -3.877 1048 2HD1 ILE 26 2HD1 ILE 26 -11.753 7.372 -5.248 1049 3HD1 ILE 26 3HD1 ILE 26 -10.135 7.099 -4.606 1050 H ASP 27 H ASP 27 -15.221 4.465 -5.921 1051 HA ASP 27 HA ASP 27 -15.690 2.221 -7.452 1052 1HB ASP 27 2HB ASP 27 -16.891 2.735 -5.370 1053 2HB ASP 27 1HB ASP 27 -17.706 4.073 -6.162 1054 H ALA 28 H ALA 28 -16.576 5.567 -8.058 1055 HA ALA 28 HA ALA 28 -17.991 4.871 -10.514 1056 1HB ALA 28 1HB ALA 28 -18.963 6.913 -10.373 1057 2HB ALA 28 2HB ALA 28 -17.476 7.705 -9.848 1058 3HB ALA 28 3HB ALA 28 -18.445 6.793 -8.691 1059 H VAL 29 H VAL 29 -15.116 6.655 -9.526 1060 HA VAL 29 HA VAL 29 -14.326 7.417 -12.116 1061 HB VAL 29 HB VAL 29 -13.446 7.852 -9.382 1062 1HG1 VAL 29 1HG1 VAL 29 -11.365 6.935 -9.710 1063 2HG1 VAL 29 2HG1 VAL 29 -11.147 8.626 -10.098 1064 3HG1 VAL 29 3HG1 VAL 29 -11.290 7.448 -11.394 1065 1HG2 VAL 29 1HG2 VAL 29 -12.869 10.035 -10.255 1066 2HG2 VAL 29 2HG2 VAL 29 -14.464 9.531 -10.803 1067 3HG2 VAL 29 3HG2 VAL 29 -13.086 9.443 -11.899 1068 H LEU 30 H LEU 30 -14.339 4.373 -10.755 1069 HA LEU 30 HA LEU 30 -12.255 3.523 -12.632 1070 1HB LEU 30 2HB LEU 30 -12.716 2.586 -9.826 1071 2HB LEU 30 1HB LEU 30 -11.987 1.520 -11.011 1072 HG LEU 30 HG LEU 30 -10.230 2.580 -9.750 1073 1HD1 LEU 30 1HD1 LEU 30 -8.918 3.414 -11.491 1074 2HD1 LEU 30 2HD1 LEU 30 -10.311 4.088 -12.335 1075 3HD1 LEU 30 3HD1 LEU 30 -10.065 2.343 -12.295 1076 1HD2 LEU 30 1HD2 LEU 30 -10.953 5.281 -10.710 1077 2HD2 LEU 30 2HD2 LEU 30 -10.109 4.786 -9.244 1078 3HD2 LEU 30 3HD2 LEU 30 -11.861 4.622 -9.352 1079 H GLN 31 H GLN 31 -15.379 2.754 -11.103 1080 HA GLN 31 HA GLN 31 -15.693 0.391 -12.740 1081 1HB GLN 31 2HB GLN 31 -16.657 0.741 -10.381 1082 2HB GLN 31 1HB GLN 31 -17.895 1.684 -11.187 1083 1HG GLN 31 2HG GLN 31 -18.630 -0.149 -12.443 1084 2HG GLN 31 1HG GLN 31 -17.252 -1.112 -11.939 1085 1HE2 GLN 31 1HE2 GLN 31 -17.875 -2.665 -10.623 1086 2HE2 GLN 31 2HE2 GLN 31 -19.031 -2.515 -9.347 1087 H ASN 32 H ASN 32 -16.198 3.733 -13.187 1088 HA ASN 32 HA ASN 32 -18.422 4.231 -14.557 1089 1HB ASN 32 2HB ASN 32 -17.080 5.665 -16.108 1090 2HB ASN 32 1HB ASN 32 -16.678 5.880 -14.408 1091 1HD2 ASN 32 1HD2 ASN 32 -15.699 4.171 -17.336 1092 2HD2 ASN 32 2HD2 ASN 32 -14.022 4.087 -16.944 1093 H GLN 33 H GLN 33 -15.845 2.161 -15.790 1094 HA GLN 33 HA GLN 33 -17.683 1.132 -17.780 1095 1HB GLN 33 2HB GLN 33 -16.492 3.086 -18.828 1096 2HB GLN 33 1HB GLN 33 -15.003 2.172 -18.706 1097 1HG GLN 33 2HG GLN 33 -17.411 1.085 -20.117 1098 2HG GLN 33 1HG GLN 33 -16.255 2.142 -20.924 1099 1HE2 GLN 33 1HE2 GLN 33 -13.868 1.329 -20.100 1100 2HE2 GLN 33 2HE2 GLN 33 -13.585 -0.325 -20.514 1101 H GLN 34 H GLN 34 -14.132 0.778 -17.849 1102 HA GLN 34 HA GLN 34 -14.392 -1.858 -16.624 1103 1HB GLN 34 2HB GLN 34 -14.487 -1.753 -19.297 1104 2HB GLN 34 1HB GLN 34 -12.742 -1.754 -19.091 1105 1HG GLN 34 2HG GLN 34 -13.772 -3.758 -17.397 1106 2HG GLN 34 1HG GLN 34 -14.580 -3.931 -18.955 1107 1HE2 GLN 34 1HE2 GLN 34 -13.048 -3.781 -20.867 1108 2HE2 GLN 34 2HE2 GLN 34 -11.563 -4.652 -20.726 1109 H TYR 35 H TYR 35 -12.021 -2.906 -16.724 1110 HA TYR 35 HA TYR 35 -10.342 -1.015 -15.292 1111 1HB TYR 35 2HB TYR 35 -10.741 -3.222 -14.313 1112 2HB TYR 35 1HB TYR 35 -10.060 -3.994 -15.739 1113 HD1 TYR 35 1HD TYR 35 -9.300 -2.103 -12.687 1114 HD2 TYR 35 2HD TYR 35 -7.667 -4.074 -16.087 1115 HE1 TYR 35 1HE TYR 35 -7.076 -2.067 -11.633 1116 HE2 TYR 35 2HE TYR 35 -5.439 -4.041 -15.042 1117 HH TYR 35 HH TYR 35 -4.226 -2.766 -13.339 1118 H SER 36 H SER 36 -8.967 0.186 -16.421 1119 HA SER 36 HA SER 36 -7.358 -1.101 -18.522 1120 1HB SER 36 2HB SER 36 -8.859 1.504 -18.667 1121 2HB SER 36 1HB SER 36 -7.414 1.242 -19.644 1122 HG SER 36 HG SER 36 -8.986 0.506 -20.924 1123 H GLU 37 H GLU 37 -5.244 -0.957 -18.044 1124 HA GLU 37 HA GLU 37 -4.260 0.374 -15.813 1125 1HB GLU 37 2HB GLU 37 -3.106 -1.498 -16.930 1126 2HB GLU 37 1HB GLU 37 -2.685 -0.422 -18.257 1127 1HG GLU 37 2HG GLU 37 -0.873 0.216 -17.171 1128 2HG GLU 37 1HG GLU 37 -1.870 0.836 -15.864 1129 H ALA 38 H ALA 38 -4.311 1.446 -19.191 1130 HA ALA 38 HA ALA 38 -2.718 3.724 -18.922 1131 1HB ALA 38 1HB ALA 38 -5.015 3.099 -20.756 1132 2HB ALA 38 2HB ALA 38 -3.287 3.037 -21.104 1133 3HB ALA 38 3HB ALA 38 -4.085 4.593 -20.872 1134 H LYS 39 H LYS 39 -6.028 3.143 -18.040 1135 HA LYS 39 HA LYS 39 -6.408 5.950 -17.326 1136 1HB LYS 39 2HB LYS 39 -8.197 3.658 -17.902 1137 2HB LYS 39 1HB LYS 39 -8.756 4.826 -16.724 1138 1HG LYS 39 2HG LYS 39 -9.636 5.637 -18.669 1139 2HG LYS 39 1HG LYS 39 -8.157 6.582 -18.506 1140 1HD LYS 39 2HD LYS 39 -8.355 5.833 -20.773 1141 2HD LYS 39 1HD LYS 39 -7.028 4.965 -20.004 1142 1HE LYS 39 2HE LYS 39 -8.010 2.995 -20.352 1143 2HE LYS 39 1HE LYS 39 -9.543 3.563 -19.696 1144 1HZ LYS 39 1HZ LYS 39 -10.077 3.092 -21.865 1145 2HZ LYS 39 2HZ LYS 39 -8.586 3.605 -22.477 1146 3HZ LYS 39 3HZ LYS 39 -9.730 4.744 -21.973 1147 H VAL 40 H VAL 40 -5.619 2.927 -15.921 1148 HA VAL 40 HA VAL 40 -6.713 2.980 -13.405 1149 HB VAL 40 HB VAL 40 -4.184 1.888 -14.542 1150 1HG1 VAL 40 1HG1 VAL 40 -4.707 1.781 -11.578 1151 2HG1 VAL 40 2HG1 VAL 40 -3.407 2.683 -12.358 1152 3HG1 VAL 40 3HG1 VAL 40 -3.439 0.923 -12.452 1153 1HG2 VAL 40 1HG2 VAL 40 -6.519 0.843 -14.582 1154 2HG2 VAL 40 2HG2 VAL 40 -6.225 0.463 -12.886 1155 3HG2 VAL 40 3HG2 VAL 40 -5.158 -0.183 -14.132 1156 H SER 41 H SER 41 -4.235 5.049 -14.707 1157 HA SER 41 HA SER 41 -3.706 6.184 -12.057 1158 1HB SER 41 2HB SER 41 -2.310 6.653 -14.703 1159 2HB SER 41 1HB SER 41 -1.847 7.385 -13.167 1160 HG SER 41 HG SER 41 -1.805 4.636 -13.858 1161 H GLN 42 H GLN 42 -4.849 7.051 -15.286 1162 HA GLN 42 HA GLN 42 -5.239 9.802 -14.736 1163 1HB GLN 42 2HB GLN 42 -6.203 7.908 -16.842 1164 2HB GLN 42 1HB GLN 42 -6.971 9.483 -16.704 1165 1HG GLN 42 2HG GLN 42 -4.058 8.934 -17.213 1166 2HG GLN 42 1HG GLN 42 -5.237 9.573 -18.359 1167 1HE2 GLN 42 1HE2 GLN 42 -3.224 10.263 -15.629 1168 2HE2 GLN 42 2HE2 GLN 42 -3.420 11.979 -15.652 1169 H TRP 43 H TRP 43 -7.219 6.970 -14.215 1170 HA TRP 43 HA TRP 43 -9.642 8.303 -13.746 1171 1HB TRP 43 2HB TRP 43 -8.561 5.636 -12.962 1172 2HB TRP 43 1HB TRP 43 -10.060 6.198 -12.243 1173 HD1 TRP 43 HD TRP 43 -9.501 3.737 -14.357 1174 HE1 TRP 43 1HE TRP 43 -11.007 3.602 -16.408 1175 HE3 TRP 43 3HE TRP 43 -11.316 8.548 -14.427 1176 HZ2 TRP 43 2HZ TRP 43 -12.737 5.261 -17.884 1177 HZ3 TRP 43 3HZ TRP 43 -12.893 9.167 -16.194 1178 HH2 TRP 43 HH TRP 43 -13.594 7.558 -17.885 1179 H THR 44 H THR 44 -7.208 7.080 -11.484 1180 HA THR 44 HA THR 44 -8.415 7.918 -9.151 1181 HB THR 44 HB THR 44 -6.246 6.511 -9.648 1182 HG1 THR 44 1HG THR 44 -7.087 6.426 -7.665 1183 1HG2 THR 44 1HG2 THR 44 -5.108 9.216 -9.095 1184 2HG2 THR 44 2HG2 THR 44 -4.637 8.030 -10.306 1185 3HG2 THR 44 3HG2 THR 44 -4.285 7.739 -8.604 1186 H SER 45 H SER 45 -6.809 9.811 -11.548 1187 HA SER 45 HA SER 45 -6.417 12.127 -9.891 1188 1HB SER 45 2HB SER 45 -5.645 11.350 -12.497 1189 2HB SER 45 1HB SER 45 -6.657 12.776 -12.692 1190 HG SER 45 HG SER 45 -4.278 13.032 -12.269 1191 H SER 46 H SER 46 -8.816 10.896 -12.149 1192 HA SER 46 HA SER 46 -10.589 13.114 -12.059 1193 1HB SER 46 2HB SER 46 -10.804 10.247 -12.879 1194 2HB SER 46 1HB SER 46 -12.296 11.142 -12.591 1195 HG SER 46 HG SER 46 -11.325 11.165 -14.801 1196 H CYS 47 H CYS 47 -10.050 10.303 -10.069 1197 HA CYS 47 HA CYS 47 -12.312 10.412 -8.404 1198 1HB CYS 47 2HB CYS 47 -11.132 8.480 -7.977 1199 2HB CYS 47 1HB CYS 47 -9.604 9.222 -8.355 1200 HG CYS 47 HG CYS 47 -10.913 9.320 -5.535 1201 H LEU 48 H LEU 48 -9.167 11.943 -8.327 1202 HA LEU 48 HA LEU 48 -9.463 13.275 -5.891 1203 1HB LEU 48 2HB LEU 48 -7.635 13.414 -8.214 1204 2HB LEU 48 1HB LEU 48 -7.682 14.818 -7.176 1205 HG LEU 48 HG LEU 48 -6.582 13.778 -5.484 1206 1HD1 LEU 48 1HD1 LEU 48 -7.845 11.170 -6.318 1207 2HD1 LEU 48 2HD1 LEU 48 -8.283 12.162 -4.930 1208 3HD1 LEU 48 3HD1 LEU 48 -6.723 11.360 -4.970 1209 1HD2 LEU 48 1HD2 LEU 48 -5.136 13.548 -7.442 1210 2HD2 LEU 48 2HD2 LEU 48 -5.834 11.962 -7.773 1211 3HD2 LEU 48 3HD2 LEU 48 -4.890 12.222 -6.305 1212 H GLU 49 H GLU 49 -10.370 14.147 -9.169 1213 HA GLU 49 HA GLU 49 -11.163 16.779 -8.310 1214 1HB GLU 49 2HB GLU 49 -10.484 16.212 -10.696 1215 2HB GLU 49 1HB GLU 49 -12.084 15.484 -10.857 1216 1HG GLU 49 2HG GLU 49 -12.910 17.738 -9.897 1217 2HG GLU 49 1HG GLU 49 -11.350 18.344 -10.420 1218 H HIS 50 H HIS 50 -12.593 13.632 -8.702 1219 HA HIS 50 HA HIS 50 -15.284 14.574 -8.221 1220 1HB HIS 50 2HB HIS 50 -14.083 11.820 -8.521 1221 2HB HIS 50 1HB HIS 50 -15.790 12.091 -8.181 1222 HD1 HIS 50 1HD HIS 50 -16.874 11.443 -10.333 1223 HD2 HIS 50 2HD HIS 50 -13.636 13.984 -10.901 1224 HE1 HIS 50 1HE HIS 50 -16.885 12.008 -12.783 1225 HE2 HIS 50 2HE HIS 50 -14.866 13.476 -13.120 1226 H CYS 51 H CYS 51 -12.687 14.296 -6.246 1227 HA CYS 51 HA CYS 51 -14.251 13.356 -3.935 1228 1HB CYS 51 2HB CYS 51 -11.967 12.239 -4.493 1229 2HB CYS 51 1HB CYS 51 -11.245 13.761 -3.987 1230 HG CYS 51 HG CYS 51 -12.080 13.329 -1.586 1231 H ILE 52 H ILE 52 -11.974 15.737 -5.135 1232 HA ILE 52 HA ILE 52 -12.092 17.550 -3.006 1233 HB ILE 52 HB ILE 52 -10.375 17.476 -4.826 1234 1HG1 ILE 52 2HG1 ILE 52 -10.541 19.413 -3.360 1235 2HG1 ILE 52 1HG1 ILE 52 -9.985 19.839 -4.973 1236 1HG2 ILE 52 1HG2 ILE 52 -10.706 18.341 -6.953 1237 2HG2 ILE 52 2HG2 ILE 52 -12.253 19.054 -6.507 1238 3HG2 ILE 52 3HG2 ILE 52 -12.100 17.305 -6.661 1239 1HD1 ILE 52 1HD1 ILE 52 -12.429 20.590 -3.554 1240 2HD1 ILE 52 2HD1 ILE 52 -12.602 20.225 -5.272 1241 3HD1 ILE 52 3HD1 ILE 52 -11.474 21.475 -4.744 1242 H LYS 53 H LYS 53 -13.925 17.356 -6.062 1243 HA LYS 53 HA LYS 53 -15.458 19.672 -5.745 1244 1HB LYS 53 2HB LYS 53 -15.673 17.185 -7.348 1245 2HB LYS 53 1HB LYS 53 -17.160 18.089 -7.125 1246 1HG LYS 53 2HG LYS 53 -15.934 18.629 -9.213 1247 2HG LYS 53 1HG LYS 53 -16.231 20.017 -8.177 1248 1HD LYS 53 2HD LYS 53 -13.694 18.664 -7.674 1249 2HD LYS 53 1HD LYS 53 -13.831 19.374 -9.280 1250 1HE LYS 53 2HE LYS 53 -14.685 21.026 -6.965 1251 2HE LYS 53 1HE LYS 53 -12.956 20.767 -7.190 1252 1HZ LYS 53 1HZ LYS 53 -14.014 22.778 -8.306 1253 2HZ LYS 53 2HZ LYS 53 -14.671 21.681 -9.414 1254 3HZ LYS 53 3HZ LYS 53 -12.993 21.815 -9.250 1255 H ARG 54 H ARG 54 -15.861 16.435 -4.467 1256 HA ARG 54 HA ARG 54 -18.520 16.786 -3.540 1257 1HB ARG 54 2HB ARG 54 -16.487 14.728 -3.454 1258 2HB ARG 54 1HB ARG 54 -17.289 14.867 -1.896 1259 1HG ARG 54 2HG ARG 54 -18.563 14.322 -4.563 1260 2HG ARG 54 1HG ARG 54 -18.436 13.229 -3.185 1261 1HD ARG 54 2HD ARG 54 -20.499 13.939 -2.683 1262 2HD ARG 54 1HD ARG 54 -19.695 15.383 -2.080 1263 HE ARG 54 HE ARG 54 -20.519 16.560 -3.872 1264 1HH1 ARG 54 1HH1 ARG 54 -21.002 13.142 -4.442 1265 2HH1 ARG 54 2HH1 ARG 54 -22.013 13.393 -5.824 1266 1HH2 ARG 54 1HH2 ARG 54 -21.849 16.881 -5.688 1267 2HH2 ARG 54 2HH2 ARG 54 -22.493 15.511 -6.531 1268 H LEU 55 H LEU 55 -15.349 17.028 -1.975 1269 HA LEU 55 HA LEU 55 -16.287 17.628 0.598 1270 1HB LEU 55 2HB LEU 55 -13.707 18.455 -0.731 1271 2HB LEU 55 1HB LEU 55 -14.030 18.546 0.992 1272 HG LEU 55 HG LEU 55 -13.866 16.034 -0.669 1273 1HD1 LEU 55 1HD1 LEU 55 -11.709 17.067 -0.123 1274 2HD1 LEU 55 2HD1 LEU 55 -11.937 15.516 0.685 1275 3HD1 LEU 55 3HD1 LEU 55 -12.137 17.018 1.587 1276 1HD2 LEU 55 1HD2 LEU 55 -14.519 16.395 2.246 1277 2HD2 LEU 55 2HD2 LEU 55 -14.178 14.852 1.463 1278 3HD2 LEU 55 3HD2 LEU 55 -15.597 15.786 0.991 1279 H THR 56 H THR 56 -15.905 19.610 -2.236 1280 HA THR 56 HA THR 56 -16.134 22.116 -0.864 1281 HB THR 56 HB THR 56 -16.127 23.124 -2.993 1282 HG1 THR 56 1HG THR 56 -16.845 22.149 -4.818 1283 1HG2 THR 56 1HG2 THR 56 -14.730 20.958 -4.220 1284 2HG2 THR 56 2HG2 THR 56 -14.274 21.070 -2.519 1285 3HG2 THR 56 3HG2 THR 56 -14.097 22.472 -3.576 1286 H ALA 57 H ALA 57 -18.318 19.805 -2.311 1287 HA ALA 57 HA ALA 57 -20.626 21.470 -2.339 1288 1HB ALA 57 1HB ALA 57 -20.707 19.616 -3.778 1289 2HB ALA 57 2HB ALA 57 -21.822 19.211 -2.473 1290 3HB ALA 57 3HB ALA 57 -20.210 18.499 -2.507 1291 H LEU 58 H LEU 58 -19.329 19.080 -0.070 1292 HA LEU 58 HA LEU 58 -21.495 19.432 1.791 1293 1HB LEU 58 2HB LEU 58 -19.150 17.700 1.496 1294 2HB LEU 58 1HB LEU 58 -19.498 18.132 3.155 1295 HG LEU 58 HG LEU 58 -21.897 17.350 2.667 1296 1HD1 LEU 58 1HD1 LEU 58 -20.485 16.594 0.183 1297 2HD1 LEU 58 2HD1 LEU 58 -22.179 17.005 0.449 1298 3HD1 LEU 58 3HD1 LEU 58 -21.587 15.398 0.867 1299 1HD2 LEU 58 1HD2 LEU 58 -20.657 16.045 4.144 1300 2HD2 LEU 58 2HD2 LEU 58 -19.495 15.573 2.904 1301 3HD2 LEU 58 3HD2 LEU 58 -21.127 14.905 2.884 1302 H ASN 59 H ASN 59 -18.325 20.773 1.278 1303 HA ASN 59 HA ASN 59 -17.018 22.226 2.451 1304 1HB ASN 59 2HB ASN 59 -18.185 24.271 3.150 1305 2HB ASN 59 1HB ASN 59 -18.738 23.716 1.575 1306 1HD2 ASN 59 1HD2 ASN 59 -20.793 22.735 1.413 1307 2HD2 ASN 59 2HD2 ASN 59 -22.014 23.033 2.599 1308 H LYS 60 H LYS 60 -16.394 20.596 4.019 1309 HA LYS 60 HA LYS 60 -16.559 21.529 6.658 1310 1HB LYS 60 2HB LYS 60 -17.767 19.492 7.611 1311 2HB LYS 60 1HB LYS 60 -18.761 20.721 6.842 1312 1HG LYS 60 2HG LYS 60 -18.862 19.365 4.808 1313 2HG LYS 60 1HG LYS 60 -17.879 18.128 5.593 1314 1HD LYS 60 2HD LYS 60 -20.020 17.317 5.915 1315 2HD LYS 60 1HD LYS 60 -19.730 18.194 7.419 1316 1HE LYS 60 2HE LYS 60 -20.864 20.172 6.360 1317 2HE LYS 60 1HE LYS 60 -21.320 19.109 5.030 1318 1HZ LYS 60 1HZ LYS 60 -22.330 19.200 7.764 1319 2HZ LYS 60 2HZ LYS 60 -22.199 17.672 7.052 1320 3HZ LYS 60 3HZ LYS 60 -23.145 18.867 6.318 1321 HA PRO 61 HA PRO 61 -15.270 21.559 8.243 1322 1HB PRO 61 2HB PRO 61 -12.636 22.130 8.624 1323 2HB PRO 61 1HB PRO 61 -13.533 20.947 9.577 1324 1HG PRO 61 2HG PRO 61 -11.585 20.520 7.377 1325 2HG PRO 61 1HG PRO 61 -11.918 19.523 8.797 1326 1HD PRO 61 2HD PRO 61 -12.820 18.996 6.235 1327 2HD PRO 61 1HD PRO 61 -13.524 18.336 7.721 1328 H PHE 62 H PHE 62 -12.219 22.149 6.518 1329 HA PHE 62 HA PHE 62 -13.555 24.064 4.767 1330 1HB PHE 62 2HB PHE 62 -11.688 24.737 6.971 1331 2HB PHE 62 1HB PHE 62 -11.432 25.576 5.444 1332 HD1 PHE 62 1HD PHE 62 -13.309 26.908 4.459 1333 HD2 PHE 62 2HD PHE 62 -13.445 25.332 8.409 1334 HE1 PHE 62 1HE PHE 62 -15.111 28.486 5.022 1335 HE2 PHE 62 2HE PHE 62 -15.247 26.908 8.980 1336 HZ PHE 62 HZ PHE 62 -16.082 28.487 7.285 1337 H LYS 63 H LYS 63 -10.154 23.506 5.649 1338 HA LYS 63 HA LYS 63 -9.491 23.217 2.833 1339 1HB LYS 63 2HB LYS 63 -7.969 23.708 5.343 1340 2HB LYS 63 1HB LYS 63 -7.118 22.938 4.011 1341 1HG LYS 63 2HG LYS 63 -8.404 25.040 2.789 1342 2HG LYS 63 1HG LYS 63 -7.945 25.707 4.357 1343 1HD LYS 63 2HD LYS 63 -6.186 26.103 2.741 1344 2HD LYS 63 1HD LYS 63 -5.628 24.963 3.966 1345 1HE LYS 63 2HE LYS 63 -6.664 23.279 2.100 1346 2HE LYS 63 1HE LYS 63 -6.062 24.588 1.084 1347 1HZ LYS 63 1HZ LYS 63 -3.925 24.348 2.407 1348 2HZ LYS 63 2HZ LYS 63 -4.280 23.122 1.297 1349 3HZ LYS 63 3HZ LYS 63 -4.544 22.868 2.949 1350 H TYR 64 H TYR 64 -9.169 21.329 1.840 1351 HA TYR 64 HA TYR 64 -8.517 18.977 3.471 1352 1HB TYR 64 2HB TYR 64 -10.283 18.309 1.232 1353 2HB TYR 64 1HB TYR 64 -10.346 17.786 2.909 1354 HD1 TYR 64 1HD TYR 64 -11.495 19.275 4.598 1355 HD2 TYR 64 2HD TYR 64 -11.757 19.949 0.405 1356 HE1 TYR 64 1HE TYR 64 -13.481 20.682 4.953 1357 HE2 TYR 64 2HE TYR 64 -13.743 21.358 0.751 1358 HH TYR 64 HH TYR 64 -14.796 22.662 2.497 1359 H VAL 65 H VAL 65 -7.299 17.400 2.477 1360 HA VAL 65 HA VAL 65 -6.127 18.168 -0.102 1361 HB VAL 65 HB VAL 65 -4.907 17.409 2.379 1362 1HG1 VAL 65 1HG1 VAL 65 -4.680 15.131 1.725 1363 2HG1 VAL 65 2HG1 VAL 65 -3.125 15.884 1.382 1364 3HG1 VAL 65 3HG1 VAL 65 -4.264 15.575 0.071 1365 1HG2 VAL 65 1HG2 VAL 65 -3.784 18.229 -0.260 1366 2HG2 VAL 65 2HG2 VAL 65 -2.856 18.103 1.235 1367 3HG2 VAL 65 3HG2 VAL 65 -4.180 19.264 1.112 1368 H VAL 66 H VAL 66 -5.991 16.625 -1.738 1369 HA VAL 66 HA VAL 66 -7.142 13.988 -1.143 1370 HB VAL 66 HB VAL 66 -7.813 15.301 -3.747 1371 1HG1 VAL 66 1HG1 VAL 66 -9.287 13.598 -3.987 1372 2HG1 VAL 66 2HG1 VAL 66 -9.621 13.484 -2.262 1373 3HG1 VAL 66 3HG1 VAL 66 -8.136 12.800 -2.923 1374 1HG2 VAL 66 1HG2 VAL 66 -10.082 15.797 -2.570 1375 2HG2 VAL 66 2HG2 VAL 66 -8.753 16.948 -2.427 1376 3HG2 VAL 66 3HG2 VAL 66 -9.102 15.836 -1.103 1377 H THR 67 H THR 67 -5.476 12.627 -1.504 1378 HA THR 67 HA THR 67 -4.214 12.776 -4.138 1379 HB THR 67 HB THR 67 -2.548 13.794 -2.775 1380 HG1 THR 67 1HG THR 67 -1.828 11.067 -3.006 1381 1HG2 THR 67 1HG2 THR 67 -3.577 12.458 -0.657 1382 2HG2 THR 67 2HG2 THR 67 -2.026 13.299 -0.668 1383 3HG2 THR 67 3HG2 THR 67 -2.089 11.559 -0.957 1384 H CYS 68 H CYS 68 -3.228 10.808 -4.846 1385 HA CYS 68 HA CYS 68 -3.870 8.398 -3.381 1386 1HB CYS 68 2HB CYS 68 -5.028 7.493 -5.509 1387 2HB CYS 68 1HB CYS 68 -5.953 8.523 -4.428 1388 HG CYS 68 HG CYS 68 -6.191 9.156 -7.020 1389 H ILE 69 H ILE 69 -2.904 6.526 -4.246 1390 HA ILE 69 HA ILE 69 -0.866 6.977 -6.308 1391 HB ILE 69 HB ILE 69 -0.469 5.646 -3.631 1392 1HG1 ILE 69 2HG1 ILE 69 1.462 7.672 -4.379 1393 2HG1 ILE 69 1HG1 ILE 69 -0.178 8.311 -4.403 1394 1HG2 ILE 69 1HG2 ILE 69 0.967 4.306 -4.699 1395 2HG2 ILE 69 2HG2 ILE 69 2.012 5.726 -4.739 1396 3HG2 ILE 69 3HG2 ILE 69 1.005 5.331 -6.133 1397 1HD1 ILE 69 1HD1 ILE 69 0.265 6.717 -2.050 1398 2HD1 ILE 69 2HD1 ILE 69 -0.244 8.400 -2.195 1399 3HD1 ILE 69 3HD1 ILE 69 1.473 7.995 -2.196 1400 H ILE 70 H ILE 70 -0.644 5.330 -7.742 1401 HA ILE 70 HA ILE 70 -2.403 3.006 -7.361 1402 HB ILE 70 HB ILE 70 -1.892 2.700 -9.898 1403 1HG1 ILE 70 2HG1 ILE 70 -0.202 4.658 -9.771 1404 2HG1 ILE 70 1HG1 ILE 70 -1.278 4.567 -11.157 1405 1HG2 ILE 70 1HG2 ILE 70 -3.876 4.275 -8.459 1406 2HG2 ILE 70 2HG2 ILE 70 -4.083 3.027 -9.688 1407 3HG2 ILE 70 3HG2 ILE 70 -3.741 4.690 -10.168 1408 1HD1 ILE 70 1HD1 ILE 70 -0.855 6.823 -9.888 1409 2HD1 ILE 70 2HD1 ILE 70 -2.119 6.205 -8.825 1410 3HD1 ILE 70 3HD1 ILE 70 -2.443 6.429 -10.542 1411 H MET 71 H MET 71 -1.505 1.139 -6.871 1412 HA MET 71 HA MET 71 1.331 0.719 -7.533 1413 1HB MET 71 2HB MET 71 -0.380 -0.472 -5.346 1414 2HB MET 71 1HB MET 71 1.258 -1.002 -5.706 1415 1HG MET 71 2HG MET 71 2.133 1.169 -5.143 1416 2HG MET 71 1HG MET 71 0.503 1.801 -4.911 1417 1HE MET 71 1HE MET 71 0.523 1.823 -1.285 1418 2HE MET 71 2HE MET 71 0.218 2.584 -2.846 1419 3HE MET 71 3HE MET 71 1.858 2.524 -2.200 1420 H GLN 72 H GLN 72 1.736 -0.637 -9.131 1421 HA GLN 72 HA GLN 72 -0.151 -2.137 -10.515 1422 1HB GLN 72 2HB GLN 72 2.407 -1.470 -10.982 1423 2HB GLN 72 1HB GLN 72 2.642 -3.143 -10.494 1424 1HG GLN 72 2HG GLN 72 1.944 -3.892 -12.457 1425 2HG GLN 72 1HG GLN 72 0.468 -2.934 -12.366 1426 1HE2 GLN 72 1HE2 GLN 72 0.390 -0.933 -13.356 1427 2HE2 GLN 72 2HE2 GLN 72 1.584 -0.406 -14.486 1428 H LYS 73 H LYS 73 -0.506 -4.423 -10.657 1429 HA LYS 73 HA LYS 73 -1.068 -5.694 -8.312 1430 1HB LYS 73 2HB LYS 73 -1.665 -7.545 -9.540 1431 2HB LYS 73 1HB LYS 73 -1.697 -6.291 -10.762 1432 1HG LYS 73 2HG LYS 73 0.424 -8.388 -10.357 1433 2HG LYS 73 1HG LYS 73 -0.725 -8.265 -11.684 1434 1HD LYS 73 2HD LYS 73 0.497 -6.713 -12.770 1435 2HD LYS 73 1HD LYS 73 0.969 -5.894 -11.284 1436 1HE LYS 73 2HE LYS 73 2.981 -6.801 -11.501 1437 2HE LYS 73 1HE LYS 73 2.249 -8.373 -11.187 1438 1HZ LYS 73 1HZ LYS 73 3.220 -8.759 -13.195 1439 2HZ LYS 73 2HZ LYS 73 3.041 -7.166 -13.736 1440 3HZ LYS 73 3HZ LYS 73 1.711 -8.212 -13.732 1441 H ASN 74 H ASN 74 0.417 -5.695 -6.734 1442 HA ASN 74 HA ASN 74 2.258 -6.131 -5.513 1443 1HB ASN 74 2HB ASN 74 3.289 -8.517 -6.083 1444 2HB ASN 74 1HB ASN 74 1.763 -8.346 -5.230 1445 1HD2 ASN 74 1HD2 ASN 74 -0.200 -8.399 -6.606 1446 2HD2 ASN 74 2HD2 ASN 74 -0.210 -9.488 -7.946 1447 H GLY 75 H GLY 75 3.650 -7.981 -8.160 1448 1HA GLY 75 2HA GLY 75 5.853 -7.734 -8.947 1449 2HA GLY 75 1HA GLY 75 4.934 -6.570 -9.870 1450 H ALA 76 H ALA 76 4.862 -4.342 -8.961 1451 HA ALA 76 HA ALA 76 7.570 -3.544 -8.296 1452 1HB ALA 76 1HB ALA 76 5.113 -2.129 -9.217 1453 2HB ALA 76 2HB ALA 76 6.731 -2.157 -9.922 1454 3HB ALA 76 3HB ALA 76 6.417 -1.205 -8.470 1455 H GLY 77 H GLY 77 8.262 -2.545 -6.461 1456 1HA GLY 77 2HA GLY 77 6.290 -2.146 -4.304 1457 2HA GLY 77 1HA GLY 77 7.773 -3.039 -4.002 1458 H LEU 78 H LEU 78 6.312 -0.003 -3.996 1459 HA LEU 78 HA LEU 78 8.931 1.340 -3.844 1460 1HB LEU 78 2HB LEU 78 7.593 2.185 -5.670 1461 2HB LEU 78 1HB LEU 78 6.228 2.442 -4.601 1462 HG LEU 78 HG LEU 78 8.752 3.870 -3.950 1463 1HD1 LEU 78 1HD1 LEU 78 8.128 3.980 -6.516 1464 2HD1 LEU 78 2HD1 LEU 78 8.669 5.405 -5.629 1465 3HD1 LEU 78 3HD1 LEU 78 6.949 5.153 -5.927 1466 1HD2 LEU 78 1HD2 LEU 78 7.391 5.217 -2.768 1467 2HD2 LEU 78 2HD2 LEU 78 6.263 3.868 -2.891 1468 3HD2 LEU 78 3HD2 LEU 78 6.143 5.222 -4.014 1469 H HIS 79 H HIS 79 9.415 2.612 -2.109 1470 HA HIS 79 HA HIS 79 7.474 2.594 0.110 1471 1HB HIS 79 2HB HIS 79 10.413 2.117 0.024 1472 2HB HIS 79 1HB HIS 79 9.767 2.961 1.428 1473 HD1 HIS 79 1HD HIS 79 8.997 -0.235 -0.497 1474 HD2 HIS 79 2HD HIS 79 8.985 1.264 3.378 1475 HE1 HIS 79 1HE HIS 79 8.348 -2.172 0.971 1476 HE2 HIS 79 2HE HIS 79 8.411 -1.257 3.317 1477 H THR 80 H THR 80 7.220 4.463 1.333 1478 HA THR 80 HA THR 80 8.528 6.883 0.274 1479 HB THR 80 HB THR 80 5.644 6.615 1.150 1480 HG1 THR 80 1HG THR 80 5.423 6.000 -0.835 1481 1HG2 THR 80 1HG2 THR 80 5.939 8.813 1.587 1482 2HG2 THR 80 2HG2 THR 80 5.665 8.922 -0.152 1483 3HG2 THR 80 3HG2 THR 80 7.307 8.966 0.486 1484 H ALA 81 H ALA 81 8.797 8.628 1.764 1485 HA ALA 81 HA ALA 81 8.410 7.950 4.600 1486 1HB ALA 81 1HB ALA 81 10.708 8.999 5.018 1487 2HB ALA 81 2HB ALA 81 11.006 8.719 3.303 1488 3HB ALA 81 3HB ALA 81 10.669 7.360 4.371 1489 H ALA 82 H ALA 82 8.267 9.798 5.994 1490 HA ALA 82 HA ALA 82 8.408 12.417 4.819 1491 1HB ALA 82 1HB ALA 82 5.719 11.404 5.661 1492 2HB ALA 82 2HB ALA 82 6.261 11.589 3.993 1493 3HB ALA 82 3HB ALA 82 6.104 13.006 5.031 1494 H SER 83 H SER 83 8.275 14.101 6.214 1495 HA SER 83 HA SER 83 7.880 13.612 9.059 1496 1HB SER 83 2HB SER 83 10.346 13.316 8.450 1497 2HB SER 83 1HB SER 83 10.354 15.030 8.039 1498 HG SER 83 HG SER 83 11.015 14.753 10.177 1499 H CYS 84 H CYS 84 6.452 15.130 9.656 1500 HA CYS 84 HA CYS 84 6.457 17.691 8.214 1501 1HB CYS 84 2HB CYS 84 4.400 15.989 8.476 1502 2HB CYS 84 1HB CYS 84 4.154 16.981 9.905 1503 HG CYS 84 HG CYS 84 3.502 17.793 7.095 1504 H TRP 85 H TRP 85 6.191 19.643 9.321 1505 HA TRP 85 HA TRP 85 7.501 19.717 11.874 1506 1HB TRP 85 2HB TRP 85 7.305 21.466 9.785 1507 2HB TRP 85 1HB TRP 85 6.160 22.168 10.923 1508 HD1 TRP 85 HD TRP 85 9.821 20.875 11.042 1509 HE1 TRP 85 1HE TRP 85 11.164 22.452 12.561 1510 HE3 TRP 85 3HE TRP 85 6.057 24.031 12.461 1511 HZ2 TRP 85 2HZ TRP 85 10.693 24.737 14.156 1512 HZ3 TRP 85 3HZ TRP 85 6.587 25.887 13.986 1513 HH2 TRP 85 HH TRP 85 8.857 26.232 14.816 1514 H TRP 86 H TRP 86 6.087 21.872 13.108 1515 HA TRP 86 HA TRP 86 3.919 20.346 14.290 1516 1HB TRP 86 2HB TRP 86 5.334 22.893 15.025 1517 2HB TRP 86 1HB TRP 86 3.829 22.435 15.816 1518 HD1 TRP 86 HD TRP 86 7.519 21.551 15.662 1519 HE1 TRP 86 1HE TRP 86 8.060 19.874 17.538 1520 HE3 TRP 86 3HE TRP 86 2.762 20.513 17.221 1521 HZ2 TRP 86 2HZ TRP 86 6.656 18.316 19.427 1522 HZ3 TRP 86 3HZ TRP 86 2.447 18.917 19.068 1523 HH2 TRP 86 HH TRP 86 4.355 17.842 20.147 1524 H ASP 87 H ASP 87 1.783 20.795 14.172 1525 HA ASP 87 HA ASP 87 0.584 23.205 13.471 1526 1HB ASP 87 2HB ASP 87 1.801 22.230 11.241 1527 2HB ASP 87 1HB ASP 87 0.209 21.496 11.088 1528 H SER 88 H SER 88 -1.058 22.769 14.835 1529 HA SER 88 HA SER 88 -2.347 20.189 14.874 1530 1HB SER 88 2HB SER 88 -2.501 22.685 16.483 1531 2HB SER 88 1HB SER 88 -3.924 21.642 16.474 1532 HG SER 88 HG SER 88 -2.580 20.996 18.138 1533 H THR 89 H THR 89 -2.990 23.353 13.535 1534 HA THR 89 HA THR 89 -5.746 23.038 13.042 1535 HB THR 89 HB THR 89 -4.674 25.221 12.952 1536 HG1 THR 89 1HG THR 89 -6.075 25.825 11.529 1537 1HG2 THR 89 1HG2 THR 89 -3.337 24.332 10.412 1538 2HG2 THR 89 2HG2 THR 89 -2.522 24.525 11.965 1539 3HG2 THR 89 3HG2 THR 89 -3.245 25.923 11.168 1540 H THR 90 H THR 90 -2.921 22.435 10.982 1541 HA THR 90 HA THR 90 -4.588 21.277 8.915 1542 HB THR 90 HB THR 90 -2.231 20.925 7.860 1543 HG1 THR 90 1HG THR 90 -0.602 22.028 8.769 1544 1HG2 THR 90 1HG2 THR 90 -3.594 23.535 8.298 1545 2HG2 THR 90 2HG2 THR 90 -3.401 22.597 6.816 1546 3HG2 THR 90 3HG2 THR 90 -2.032 23.491 7.480 1547 H ASP 91 H ASP 91 -5.230 19.614 10.652 1548 HA ASP 91 HA ASP 91 -3.453 17.300 10.338 1549 1HB ASP 91 2HB ASP 91 -3.137 18.260 12.600 1550 2HB ASP 91 1HB ASP 91 -4.855 18.027 12.915 1551 H GLY 92 H GLY 92 -4.417 15.645 9.489 1552 1HA GLY 92 2HA GLY 92 -7.068 14.817 10.247 1553 2HA GLY 92 1HA GLY 92 -6.977 15.426 8.598 1554 H SER 93 H SER 93 -5.287 14.466 7.227 1555 HA SER 93 HA SER 93 -4.603 12.629 6.071 1556 1HB SER 93 2HB SER 93 -3.469 11.551 8.616 1557 2HB SER 93 1HB SER 93 -2.734 11.656 7.017 1558 HG SER 93 HG SER 93 -3.217 13.791 8.823 1559 H ARG 94 H ARG 94 -6.055 11.239 5.316 1560 HA ARG 94 HA ARG 94 -6.659 8.891 6.925 1561 1HB ARG 94 2HB ARG 94 -9.101 9.309 5.644 1562 2HB ARG 94 1HB ARG 94 -8.778 9.460 7.359 1563 1HG ARG 94 2HG ARG 94 -8.058 11.926 6.537 1564 2HG ARG 94 1HG ARG 94 -9.283 11.536 5.332 1565 1HD ARG 94 2HD ARG 94 -10.960 11.356 6.921 1566 2HD ARG 94 1HD ARG 94 -9.815 11.063 8.230 1567 HE ARG 94 HE ARG 94 -9.697 13.682 6.989 1568 1HH1 ARG 94 1HH1 ARG 94 -10.950 11.765 9.637 1569 2HH1 ARG 94 2HH1 ARG 94 -11.214 13.137 10.656 1570 1HH2 ARG 94 1HH2 ARG 94 -10.057 15.472 8.335 1571 2HH2 ARG 94 2HH2 ARG 94 -10.715 15.235 9.920 1572 H THR 95 H THR 95 -5.564 7.505 5.658 1573 HA THR 95 HA THR 95 -5.863 7.626 2.775 1574 HB THR 95 HB THR 95 -3.625 7.353 3.748 1575 HG1 THR 95 1HG THR 95 -3.036 6.087 2.148 1576 1HG2 THR 95 1HG2 THR 95 -4.567 4.621 4.550 1577 2HG2 THR 95 2HG2 THR 95 -4.210 5.947 5.656 1578 3HG2 THR 95 3HG2 THR 95 -2.924 5.251 4.669 1579 H VAL 96 H VAL 96 -6.501 5.900 1.466 1580 HA VAL 96 HA VAL 96 -8.029 3.772 2.817 1581 HB VAL 96 HB VAL 96 -8.935 5.122 0.274 1582 1HG1 VAL 96 1HG1 VAL 96 -9.914 2.898 1.957 1583 2HG1 VAL 96 2HG1 VAL 96 -10.037 3.145 0.216 1584 3HG1 VAL 96 3HG1 VAL 96 -11.130 3.997 1.307 1585 1HG2 VAL 96 1HG2 VAL 96 -10.781 5.997 1.868 1586 2HG2 VAL 96 2HG2 VAL 96 -9.234 6.840 1.794 1587 3HG2 VAL 96 3HG2 VAL 96 -9.574 5.739 3.128 1588 H ARG 97 H ARG 97 -8.029 1.759 1.777 1589 HA ARG 97 HA ARG 97 -6.182 1.552 -0.513 1590 1HB ARG 97 2HB ARG 97 -5.367 0.655 1.728 1591 2HB ARG 97 1HB ARG 97 -6.589 -0.595 1.560 1592 1HG ARG 97 2HG ARG 97 -4.651 -1.592 0.757 1593 2HG ARG 97 1HG ARG 97 -5.502 -1.090 -0.705 1594 1HD ARG 97 2HD ARG 97 -3.135 -0.549 -0.857 1595 2HD ARG 97 1HD ARG 97 -4.111 0.919 -0.823 1596 HE ARG 97 HE ARG 97 -3.103 1.497 1.145 1597 1HH1 ARG 97 1HH1 ARG 97 -2.525 -1.907 0.573 1598 2HH1 ARG 97 2HH1 ARG 97 -1.423 -2.064 1.898 1599 1HH2 ARG 97 1HH2 ARG 97 -1.654 1.280 2.882 1600 2HH2 ARG 97 2HH2 ARG 97 -0.929 -0.259 3.208 1601 H TRP 98 H TRP 98 -7.312 1.120 -2.279 1602 HA TRP 98 HA TRP 98 -9.689 -0.605 -2.122 1603 1HB TRP 98 2HB TRP 98 -8.755 1.552 -3.924 1604 2HB TRP 98 1HB TRP 98 -9.511 0.201 -4.745 1605 HD1 TRP 98 HD TRP 98 -10.455 3.418 -3.860 1606 HE1 TRP 98 1HE TRP 98 -12.941 3.636 -3.249 1607 HE3 TRP 98 3HE TRP 98 -11.559 -1.503 -2.977 1608 HZ2 TRP 98 2HZ TRP 98 -15.063 2.010 -2.473 1609 HZ3 TRP 98 3HZ TRP 98 -13.855 -2.083 -2.306 1610 HH2 TRP 98 HH TRP 98 -15.573 -0.364 -2.062 1611 H GLU 99 H GLU 99 -9.898 -2.412 -3.490 1612 HA GLU 99 HA GLU 99 -7.596 -3.314 -5.009 1613 1HB GLU 99 2HB GLU 99 -8.807 -5.069 -2.876 1614 2HB GLU 99 1HB GLU 99 -7.423 -5.437 -3.893 1615 1HG GLU 99 2HG GLU 99 -6.318 -3.403 -2.803 1616 2HG GLU 99 1HG GLU 99 -7.606 -3.514 -1.605 1617 H ASN 100 H ASN 100 -8.179 -4.492 -6.767 1618 HA ASN 100 HA ASN 100 -11.042 -5.119 -7.026 1619 1HB ASN 100 2HB ASN 100 -10.282 -5.175 -9.585 1620 2HB ASN 100 1HB ASN 100 -10.762 -3.687 -8.782 1621 1HD2 ASN 100 1HD2 ASN 100 -8.600 -4.899 -10.835 1622 2HD2 ASN 100 2HD2 ASN 100 -7.247 -3.873 -10.522 1623 H LYS 101 H LYS 101 -8.264 -6.291 -8.914 1624 HA LYS 101 HA LYS 101 -9.064 -9.029 -8.181 1625 1HB LYS 101 2HB LYS 101 -8.324 -9.735 -10.424 1626 2HB LYS 101 1HB LYS 101 -9.652 -8.584 -10.484 1627 1HG LYS 101 2HG LYS 101 -8.417 -7.512 -11.995 1628 2HG LYS 101 1HG LYS 101 -7.472 -6.942 -10.620 1629 1HD LYS 101 2HD LYS 101 -5.742 -7.845 -11.747 1630 2HD LYS 101 1HD LYS 101 -6.329 -9.359 -11.055 1631 1HE LYS 101 2HE LYS 101 -6.956 -10.150 -13.050 1632 2HE LYS 101 1HE LYS 101 -7.712 -8.626 -13.511 1633 1HZ LYS 101 1HZ LYS 101 -5.715 -9.423 -14.853 1634 2HZ LYS 101 2HZ LYS 101 -4.776 -8.940 -13.532 1635 3HZ LYS 101 3HZ LYS 101 -5.723 -7.806 -14.354 1636 H SER 102 H SER 102 -6.362 -6.892 -8.967 1637 HA SER 102 HA SER 102 -4.622 -8.572 -7.362 1638 1HB SER 102 2HB SER 102 -4.608 -9.253 -9.908 1639 2HB SER 102 1HB SER 102 -3.566 -7.839 -10.062 1640 HG SER 102 HG SER 102 -3.045 -10.292 -8.960 1641 H MET 103 H MET 103 -4.829 -5.715 -9.468 1642 HA MET 103 HA MET 103 -2.591 -4.406 -8.302 1643 1HB MET 103 2HB MET 103 -3.789 -3.965 -10.578 1644 2HB MET 103 1HB MET 103 -4.823 -2.907 -9.627 1645 1HG MET 103 2HG MET 103 -3.019 -1.514 -9.028 1646 2HG MET 103 1HG MET 103 -1.833 -2.683 -9.603 1647 1HE MET 103 1HE MET 103 -1.020 -0.368 -10.240 1648 2HE MET 103 2HE MET 103 -2.148 0.794 -10.937 1649 3HE MET 103 3HE MET 103 -0.977 -0.027 -11.969 1650 H TYR 104 H TYR 104 -2.749 -2.278 -7.167 1651 HA TYR 104 HA TYR 104 -5.044 -2.215 -5.316 1652 1HB TYR 104 2HB TYR 104 -2.179 -1.672 -4.520 1653 2HB TYR 104 1HB TYR 104 -3.582 -1.746 -3.458 1654 HD1 TYR 104 1HD TYR 104 -4.935 -4.179 -4.299 1655 HD2 TYR 104 2HD TYR 104 -0.770 -3.404 -3.903 1656 HE1 TYR 104 1HE TYR 104 -4.531 -6.576 -3.928 1657 HE2 TYR 104 2HE TYR 104 -0.355 -5.799 -3.532 1658 HH TYR 104 HH TYR 104 -2.843 -8.020 -2.890 1659 H CYS 105 H CYS 105 -5.899 -0.261 -4.904 1660 HA CYS 105 HA CYS 105 -4.514 2.098 -6.005 1661 1HB CYS 105 2HB CYS 105 -7.428 1.338 -6.089 1662 2HB CYS 105 1HB CYS 105 -6.907 3.007 -6.290 1663 HG CYS 105 HG CYS 105 -5.390 1.572 -8.303 1664 H ILE 106 H ILE 106 -3.764 3.227 -4.323 1665 HA ILE 106 HA ILE 106 -5.374 3.368 -1.879 1666 HB ILE 106 HB ILE 106 -3.133 2.654 -1.458 1667 1HG1 ILE 106 2HG1 ILE 106 -2.763 5.493 -0.672 1668 2HG1 ILE 106 1HG1 ILE 106 -4.234 4.705 -0.108 1669 1HG2 ILE 106 1HG2 ILE 106 -1.197 4.141 -2.057 1670 2HG2 ILE 106 2HG2 ILE 106 -2.312 5.030 -3.094 1671 3HG2 ILE 106 3HG2 ILE 106 -1.990 3.325 -3.405 1672 1HD1 ILE 106 1HD1 ILE 106 -1.875 3.067 0.290 1673 2HD1 ILE 106 2HD1 ILE 106 -3.128 3.551 1.434 1674 3HD1 ILE 106 3HD1 ILE 106 -1.770 4.628 1.104 1675 H CYS 107 H CYS 107 -6.268 5.224 -1.169 1676 HA CYS 107 HA CYS 107 -5.519 7.750 -2.446 1677 1HB CYS 107 2HB CYS 107 -8.406 6.926 -2.117 1678 2HB CYS 107 1HB CYS 107 -7.784 8.351 -2.943 1679 HG CYS 107 HG CYS 107 -7.489 5.467 -4.077 1680 H THR 108 H THR 108 -5.131 9.230 -0.918 1681 HA THR 108 HA THR 108 -6.450 8.886 1.683 1682 HB THR 108 HB THR 108 -3.939 8.579 1.584 1683 HG1 THR 108 1HG THR 108 -3.766 9.417 3.550 1684 1HG2 THR 108 1HG2 THR 108 -3.379 10.403 0.042 1685 2HG2 THR 108 2HG2 THR 108 -2.529 10.548 1.581 1686 3HG2 THR 108 3HG2 THR 108 -3.924 11.573 1.244 1687 H VAL 109 H VAL 109 -7.073 10.679 2.862 1688 HA VAL 109 HA VAL 109 -7.279 13.194 1.370 1689 HB VAL 109 HB VAL 109 -9.525 12.742 3.217 1690 1HG1 VAL 109 1HG1 VAL 109 -10.787 13.827 1.503 1691 2HG1 VAL 109 2HG1 VAL 109 -9.502 13.568 0.322 1692 3HG1 VAL 109 3HG1 VAL 109 -9.246 14.670 1.675 1693 1HG2 VAL 109 1HG2 VAL 109 -10.729 11.443 1.286 1694 2HG2 VAL 109 2HG2 VAL 109 -9.818 10.585 2.528 1695 3HG2 VAL 109 3HG2 VAL 109 -9.096 10.871 0.945 1696 H PHE 110 H PHE 110 -6.459 14.853 2.518 1697 HA PHE 110 HA PHE 110 -6.152 14.438 5.404 1698 1HB PHE 110 2HB PHE 110 -4.502 16.032 3.491 1699 2HB PHE 110 1HB PHE 110 -4.427 16.315 5.212 1700 HD1 PHE 110 1HD PHE 110 -2.472 15.491 6.046 1701 HD2 PHE 110 2HD PHE 110 -4.585 13.203 3.144 1702 HE1 PHE 110 1HE PHE 110 -0.822 13.683 6.279 1703 HE2 PHE 110 2HE PHE 110 -2.937 11.391 3.378 1704 HZ PHE 110 HZ PHE 110 -1.055 11.628 4.942 1705 H GLY 111 H GLY 111 -7.868 15.233 6.332 1706 1HA GLY 111 2HA GLY 111 -9.148 17.658 5.411 1707 2HA GLY 111 1HA GLY 111 -9.639 16.674 6.786 1708 H LEU 112 H LEU 112 -7.731 19.341 5.705 1709 HA LEU 112 HA LEU 112 -6.595 19.759 8.357 1710 1HB LEU 112 2HB LEU 112 -6.161 21.078 5.687 1711 2HB LEU 112 1HB LEU 112 -5.458 21.699 7.165 1712 HG LEU 112 HG LEU 112 -3.875 20.045 7.272 1713 1HD1 LEU 112 1HD1 LEU 112 -5.598 18.193 7.332 1714 2HD1 LEU 112 2HD1 LEU 112 -4.046 17.804 6.594 1715 3HD1 LEU 112 3HD1 LEU 112 -5.441 18.142 5.581 1716 1HD2 LEU 112 1HD2 LEU 112 -4.501 19.867 4.347 1717 2HD2 LEU 112 2HD2 LEU 112 -2.936 19.661 5.133 1718 3HD2 LEU 112 3HD2 LEU 112 -3.706 21.248 5.102 1719 H ALA 113 H ALA 113 -7.494 21.042 9.802 1720 HA ALA 113 HA ALA 113 -9.916 22.405 9.352 1721 1HB ALA 113 1HB ALA 113 -9.897 22.909 11.592 1722 2HB ALA 113 2HB ALA 113 -8.151 23.155 11.634 1723 3HB ALA 113 3HB ALA 113 -8.810 21.521 11.553 1724 H ILE 114 H ILE 114 -9.393 23.707 7.485 1725 HA ILE 114 HA ILE 114 -8.962 25.696 6.465 1726 HB ILE 114 HB ILE 114 -8.592 26.844 9.229 1727 1HG1 ILE 114 2HG1 ILE 114 -11.190 26.704 7.701 1728 2HG1 ILE 114 1HG1 ILE 114 -10.731 25.492 8.893 1729 1HG2 ILE 114 1HG2 ILE 114 -9.781 28.258 6.882 1730 2HG2 ILE 114 2HG2 ILE 114 -8.030 28.121 7.038 1731 3HG2 ILE 114 3HG2 ILE 114 -8.967 28.923 8.298 1732 1HD1 ILE 114 1HD1 ILE 114 -12.017 27.955 9.316 1733 2HD1 ILE 114 2HD1 ILE 114 -10.412 28.080 10.038 1734 3HD1 ILE 114 3HD1 ILE 114 -11.496 26.775 10.518 Start of MODEL 4 1 1H MET 1 1HT MET 1 33.194 0.287 -9.119 2 HA MET 1 HA MET 1 31.720 1.726 -8.685 3 1HB MET 1 2HB MET 1 32.318 4.078 -8.175 4 2HB MET 1 1HB MET 1 33.331 2.921 -7.322 5 1HG MET 1 2HG MET 1 35.153 3.308 -8.805 6 2HG MET 1 1HG MET 1 34.145 4.275 -9.878 7 1HE MET 1 1HE MET 1 37.078 5.345 -7.326 8 2HE MET 1 2HE MET 1 36.813 6.540 -8.595 9 3HE MET 1 3HE MET 1 36.808 4.821 -8.989 10 H GLU 2 H GLU 2 32.307 0.983 -11.387 11 HA GLU 2 HA GLU 2 31.627 3.408 -12.896 12 1HB GLU 2 2HB GLU 2 33.556 2.127 -13.714 13 2HB GLU 2 1HB GLU 2 32.542 0.700 -13.881 14 1HG GLU 2 2HG GLU 2 31.121 2.207 -15.439 15 2HG GLU 2 1HG GLU 2 32.578 3.197 -15.514 16 H GLY 3 H GLY 3 29.529 3.748 -13.200 17 1HA GLY 3 2HA GLY 3 27.643 2.742 -14.567 18 2HA GLY 3 1HA GLY 3 27.751 1.401 -13.436 19 H VAL 4 H VAL 4 28.309 3.278 -11.189 20 HA VAL 4 HA VAL 4 25.601 3.679 -10.389 21 HB VAL 4 HB VAL 4 28.087 4.746 -9.042 22 1HG1 VAL 4 1HG1 VAL 4 25.809 5.631 -8.364 23 2HG1 VAL 4 2HG1 VAL 4 26.791 4.928 -7.080 24 3HG1 VAL 4 3HG1 VAL 4 25.461 4.005 -7.777 25 1HG2 VAL 4 1HG2 VAL 4 27.641 2.114 -9.559 26 2HG2 VAL 4 2HG2 VAL 4 26.852 2.297 -7.993 27 3HG2 VAL 4 3HG2 VAL 4 28.553 2.723 -8.177 28 H ASP 5 H ASP 5 24.351 5.329 -10.952 29 HA ASP 5 HA ASP 5 25.620 7.891 -11.655 30 1HB ASP 5 2HB ASP 5 23.986 6.408 -13.214 31 2HB ASP 5 1HB ASP 5 22.794 7.417 -12.400 32 HA PRO 6 HA PRO 6 23.610 8.995 -7.699 33 1HB PRO 6 2HB PRO 6 25.190 11.460 -8.027 34 2HB PRO 6 1HB PRO 6 25.170 10.308 -6.689 35 1HG PRO 6 2HG PRO 6 27.259 10.483 -8.360 36 2HG PRO 6 1HG PRO 6 26.740 8.932 -7.675 37 1HD PRO 6 2HD PRO 6 26.236 10.062 -10.405 38 2HD PRO 6 1HD PRO 6 26.671 8.404 -9.934 39 H ALA 7 H ALA 7 21.613 9.763 -7.757 40 HA ALA 7 HA ALA 7 19.818 11.130 -8.096 41 1HB ALA 7 1HB ALA 7 20.687 13.447 -9.325 42 2HB ALA 7 2HB ALA 7 22.080 12.937 -8.372 43 3HB ALA 7 3HB ALA 7 20.520 13.186 -7.589 44 H VAL 8 H VAL 8 21.979 11.886 -10.801 45 HA VAL 8 HA VAL 8 21.787 11.619 -13.060 46 HB VAL 8 HB VAL 8 19.291 10.021 -13.048 47 1HG1 VAL 8 1HG1 VAL 8 20.167 9.100 -14.910 48 2HG1 VAL 8 2HG1 VAL 8 21.805 9.059 -14.259 49 3HG1 VAL 8 3HG1 VAL 8 21.145 10.568 -14.889 50 1HG2 VAL 8 1HG2 VAL 8 20.886 7.981 -12.508 51 2HG2 VAL 8 2HG2 VAL 8 19.961 8.812 -11.259 52 3HG2 VAL 8 3HG2 VAL 8 21.666 9.192 -11.490 53 H GLU 9 H GLU 9 18.459 11.449 -11.887 54 HA GLU 9 HA GLU 9 17.797 13.750 -13.588 55 1HB GLU 9 2HB GLU 9 16.550 11.155 -13.091 56 2HB GLU 9 1HB GLU 9 15.427 12.488 -12.965 57 1HG GLU 9 2HG GLU 9 17.162 12.644 -15.301 58 2HG GLU 9 1HG GLU 9 16.140 11.208 -15.268 59 H GLU 10 H GLU 10 18.194 15.369 -12.079 60 HA GLU 10 HA GLU 10 17.120 15.277 -9.427 61 1HB GLU 10 2HB GLU 10 19.132 16.676 -10.531 62 2HB GLU 10 1HB GLU 10 17.860 17.887 -10.629 63 1HG GLU 10 2HG GLU 10 18.910 18.321 -8.604 64 2HG GLU 10 1HG GLU 10 17.464 17.417 -8.153 65 H ALA 11 H ALA 11 15.104 15.689 -8.840 66 HA ALA 11 HA ALA 11 13.287 16.953 -10.744 67 1HB ALA 11 1HB ALA 11 11.605 16.266 -8.860 68 2HB ALA 11 2HB ALA 11 12.934 15.235 -8.330 69 3HB ALA 11 3HB ALA 11 12.268 15.050 -9.952 70 H ALA 12 H ALA 12 11.690 18.526 -9.920 71 HA ALA 12 HA ALA 12 11.148 20.520 -8.974 72 1HB ALA 12 1HB ALA 12 12.082 20.888 -6.590 73 2HB ALA 12 2HB ALA 12 12.655 19.228 -6.733 74 3HB ALA 12 3HB ALA 12 10.932 19.579 -6.865 75 H PHE 13 H PHE 13 11.862 22.450 -9.564 76 HA PHE 13 HA PHE 13 14.770 22.903 -9.640 77 1HB PHE 13 2HB PHE 13 13.534 22.909 -11.831 78 2HB PHE 13 1HB PHE 13 12.660 24.330 -11.267 79 HD1 PHE 13 1HD PHE 13 13.548 26.454 -11.581 80 HD2 PHE 13 2HD PHE 13 16.084 23.055 -11.933 81 HE1 PHE 13 1HE PHE 13 15.359 27.897 -12.415 82 HE2 PHE 13 2HE PHE 13 17.900 24.491 -12.765 83 HZ PHE 13 HZ PHE 13 17.539 26.915 -13.007 84 H VAL 14 H VAL 14 11.722 24.120 -8.480 85 HA VAL 14 HA VAL 14 12.836 26.668 -7.664 86 HB VAL 14 HB VAL 14 10.135 25.522 -6.953 87 1HG1 VAL 14 1HG1 VAL 14 10.537 27.344 -5.551 88 2HG1 VAL 14 2HG1 VAL 14 9.612 28.033 -6.884 89 3HG1 VAL 14 3HG1 VAL 14 11.360 28.256 -6.816 90 1HG2 VAL 14 1HG2 VAL 14 11.113 26.858 -9.431 91 2HG2 VAL 14 2HG2 VAL 14 9.472 27.184 -8.874 92 3HG2 VAL 14 3HG2 VAL 14 9.966 25.532 -9.244 93 H ALA 15 H ALA 15 12.736 27.394 -5.420 94 HA ALA 15 HA ALA 15 13.272 27.219 -3.218 95 1HB ALA 15 1HB ALA 15 12.056 25.751 -1.921 96 2HB ALA 15 2HB ALA 15 12.163 24.448 -3.106 97 3HB ALA 15 3HB ALA 15 11.082 25.812 -3.390 98 H ASP 16 H ASP 16 15.390 26.819 -4.738 99 HA ASP 16 HA ASP 16 16.720 24.362 -4.584 100 1HB ASP 16 2HB ASP 16 17.276 26.639 -5.843 101 2HB ASP 16 1HB ASP 16 18.309 26.882 -4.438 102 H ASP 17 H ASP 17 16.406 26.978 -2.285 103 HA ASP 17 HA ASP 17 18.468 26.371 -0.517 104 1HB ASP 17 2HB ASP 17 15.790 27.677 -0.204 105 2HB ASP 17 1HB ASP 17 16.756 27.328 1.227 106 H VAL 18 H VAL 18 15.185 25.071 -0.703 107 HA VAL 18 HA VAL 18 15.590 23.315 1.560 108 HB VAL 18 HB VAL 18 13.341 23.210 -0.450 109 1HG1 VAL 18 1HG1 VAL 18 12.129 22.042 1.199 110 2HG1 VAL 18 2HG1 VAL 18 13.303 22.435 2.454 111 3HG1 VAL 18 3HG1 VAL 18 13.729 21.301 1.174 112 1HG2 VAL 18 1HG2 VAL 18 13.382 24.776 2.124 113 2HG2 VAL 18 2HG2 VAL 18 12.094 24.721 0.920 114 3HG2 VAL 18 3HG2 VAL 18 13.633 25.486 0.529 115 H SER 19 H SER 19 15.722 23.143 -1.927 116 HA SER 19 HA SER 19 15.623 20.390 -2.305 117 1HB SER 19 2HB SER 19 15.564 22.106 -4.116 118 2HB SER 19 1HB SER 19 17.295 22.353 -3.886 119 HG SER 19 HG SER 19 16.029 19.924 -4.635 120 H ASN 20 H ASN 20 18.432 22.467 -1.606 121 HA ASN 20 HA ASN 20 20.310 20.346 -1.786 122 1HB ASN 20 2HB ASN 20 21.892 21.931 -1.422 123 2HB ASN 20 1HB ASN 20 20.560 23.033 -1.724 124 1HD2 ASN 20 1HD2 ASN 20 19.237 23.387 0.435 125 2HD2 ASN 20 2HD2 ASN 20 20.215 23.844 1.784 126 H ILE 21 H ILE 21 18.408 21.630 0.872 127 HA ILE 21 HA ILE 21 19.686 20.410 3.030 128 HB ILE 21 HB ILE 21 16.730 20.979 2.633 129 1HG1 ILE 21 2HG1 ILE 21 18.871 22.550 4.072 130 2HG1 ILE 21 1HG1 ILE 21 18.203 22.944 2.493 131 1HG2 ILE 21 1HG2 ILE 21 18.211 20.375 5.194 132 2HG2 ILE 21 2HG2 ILE 21 16.998 19.354 4.421 133 3HG2 ILE 21 3HG2 ILE 21 16.538 20.923 5.082 134 1HD1 ILE 21 1HD1 ILE 21 16.300 23.782 3.361 135 2HD1 ILE 21 2HD1 ILE 21 17.345 24.043 4.757 136 3HD1 ILE 21 3HD1 ILE 21 16.279 22.638 4.703 137 H ILE 22 H ILE 22 16.961 19.146 1.082 138 HA ILE 22 HA ILE 22 16.838 16.706 2.460 139 HB ILE 22 HB ILE 22 15.282 15.940 0.910 140 1HG1 ILE 22 2HG1 ILE 22 15.000 17.229 -1.351 141 2HG1 ILE 22 1HG1 ILE 22 16.681 17.669 -1.107 142 1HG2 ILE 22 1HG2 ILE 22 15.122 18.580 1.846 143 2HG2 ILE 22 2HG2 ILE 22 13.803 17.493 1.422 144 3HG2 ILE 22 3HG2 ILE 22 14.464 18.591 0.211 145 1HD1 ILE 22 1HD1 ILE 22 15.683 15.346 -2.268 146 2HD1 ILE 22 2HD1 ILE 22 16.304 14.852 -0.694 147 3HD1 ILE 22 3HD1 ILE 22 17.357 15.686 -1.835 148 H LYS 23 H LYS 23 18.505 17.486 -0.615 149 HA LYS 23 HA LYS 23 19.417 14.922 -1.146 150 1HB LYS 23 2HB LYS 23 20.625 17.596 -1.782 151 2HB LYS 23 1HB LYS 23 21.209 16.080 -2.455 152 1HG LYS 23 2HG LYS 23 19.115 15.686 -3.534 153 2HG LYS 23 1HG LYS 23 18.401 17.091 -2.748 154 1HD LYS 23 2HD LYS 23 20.548 17.040 -4.863 155 2HD LYS 23 1HD LYS 23 18.931 17.706 -4.967 156 1HE LYS 23 2HE LYS 23 19.523 19.415 -3.318 157 2HE LYS 23 1HE LYS 23 21.160 18.769 -3.255 158 1HZ LYS 23 1HZ LYS 23 19.876 19.839 -5.706 159 2HZ LYS 23 2HZ LYS 23 21.487 19.351 -5.538 160 3HZ LYS 23 3HZ LYS 23 20.929 20.720 -4.716 161 H GLU 24 H GLU 24 21.070 17.599 0.427 162 HA GLU 24 HA GLU 24 23.429 16.329 1.167 163 1HB GLU 24 2HB GLU 24 21.905 18.665 2.105 164 2HB GLU 24 1HB GLU 24 22.924 17.960 3.339 165 1HG GLU 24 2HG GLU 24 24.311 19.526 2.386 166 2HG GLU 24 1HG GLU 24 24.769 18.057 1.526 167 H SER 25 H SER 25 20.250 16.174 2.617 168 HA SER 25 HA SER 25 21.055 14.764 4.965 169 1HB SER 25 2HB SER 25 18.937 16.127 4.722 170 2HB SER 25 1HB SER 25 18.291 14.818 3.731 171 HG SER 25 HG SER 25 19.306 14.393 6.337 172 H ILE 26 H ILE 26 19.596 13.708 1.841 173 HA ILE 26 HA ILE 26 19.394 10.984 2.528 174 HB ILE 26 HB ILE 26 19.473 12.461 -0.065 175 1HG1 ILE 26 2HG1 ILE 26 17.471 10.711 -0.296 176 2HG1 ILE 26 1HG1 ILE 26 17.619 10.717 1.459 177 1HG2 ILE 26 1HG2 ILE 26 19.182 10.042 -1.127 178 2HG2 ILE 26 2HG2 ILE 26 20.267 9.604 0.191 179 3HG2 ILE 26 3HG2 ILE 26 20.763 10.813 -0.994 180 1HD1 ILE 26 1HD1 ILE 26 15.996 12.317 0.938 181 2HD1 ILE 26 2HD1 ILE 26 16.973 13.003 -0.360 182 3HD1 ILE 26 3HD1 ILE 26 17.453 13.226 1.316 183 H ASP 27 H ASP 27 22.022 12.887 1.202 184 HA ASP 27 HA ASP 27 23.863 10.926 0.593 185 1HB ASP 27 2HB ASP 27 24.259 13.274 0.102 186 2HB ASP 27 1HB ASP 27 24.262 13.668 1.810 187 H ALA 28 H ALA 28 22.999 12.314 3.702 188 HA ALA 28 HA ALA 28 24.941 10.673 5.131 189 1HB ALA 28 1HB ALA 28 24.625 12.082 6.901 190 2HB ALA 28 2HB ALA 28 22.908 12.303 6.562 191 3HB ALA 28 3HB ALA 28 24.114 13.157 5.601 192 H VAL 29 H VAL 29 21.443 11.054 4.890 193 HA VAL 29 HA VAL 29 20.728 9.074 6.747 194 HB VAL 29 HB VAL 29 19.384 10.820 4.775 195 1HG1 VAL 29 1HG1 VAL 29 17.175 9.589 5.617 196 2HG1 VAL 29 2HG1 VAL 29 18.212 8.198 5.381 197 3HG1 VAL 29 3HG1 VAL 29 17.904 9.310 4.047 198 1HG2 VAL 29 1HG2 VAL 29 17.966 10.410 7.226 199 2HG2 VAL 29 2HG2 VAL 29 18.760 11.856 6.608 200 3HG2 VAL 29 3HG2 VAL 29 19.678 10.678 7.542 201 H LEU 30 H LEU 30 22.101 8.747 3.655 202 HA LEU 30 HA LEU 30 21.139 5.974 3.543 203 1HB LEU 30 2HB LEU 30 21.571 7.914 1.299 204 2HB LEU 30 1HB LEU 30 21.635 6.185 1.025 205 HG LEU 30 HG LEU 30 19.425 6.976 0.471 206 1HD1 LEU 30 1HD1 LEU 30 18.119 5.511 1.767 207 2HD1 LEU 30 2HD1 LEU 30 19.185 5.680 3.159 208 3HD1 LEU 30 3HD1 LEU 30 19.733 4.799 1.735 209 1HD2 LEU 30 1HD2 LEU 30 18.849 7.788 3.255 210 2HD2 LEU 30 2HD2 LEU 30 18.150 8.360 1.742 211 3HD2 LEU 30 3HD2 LEU 30 19.744 8.915 2.244 212 H GLN 31 H GLN 31 23.928 8.150 3.169 213 HA GLN 31 HA GLN 31 25.641 5.923 2.444 214 1HB GLN 31 2HB GLN 31 25.920 8.323 1.622 215 2HB GLN 31 1HB GLN 31 26.588 8.657 3.207 216 1HG GLN 31 2HG GLN 31 28.349 7.118 2.886 217 2HG GLN 31 1HG GLN 31 27.638 6.565 1.379 218 1HE2 GLN 31 1HE2 GLN 31 29.956 8.495 2.680 219 2HE2 GLN 31 2HE2 GLN 31 30.216 9.571 1.353 220 H ASN 32 H ASN 32 24.658 7.459 5.401 221 HA ASN 32 HA ASN 32 26.891 7.069 6.994 222 1HB ASN 32 2HB ASN 32 25.465 7.161 8.896 223 2HB ASN 32 1HB ASN 32 24.751 8.205 7.678 224 1HD2 ASN 32 1HD2 ASN 32 22.960 7.286 6.416 225 2HD2 ASN 32 2HD2 ASN 32 21.897 6.165 7.187 226 H GLN 33 H GLN 33 24.808 4.660 5.639 227 HA GLN 33 HA GLN 33 26.451 2.590 6.891 228 1HB GLN 33 2HB GLN 33 23.972 3.127 7.901 229 2HB GLN 33 1HB GLN 33 23.588 1.901 6.703 230 1HG GLN 33 2HG GLN 33 23.979 1.026 8.992 231 2HG GLN 33 1HG GLN 33 25.012 0.310 7.762 232 1HE2 GLN 33 1HE2 GLN 33 24.875 2.541 10.446 233 2HE2 GLN 33 2HE2 GLN 33 26.572 2.568 10.765 234 H GLN 34 H GLN 34 25.400 0.342 5.874 235 HA GLN 34 HA GLN 34 25.978 0.590 3.068 236 1HB GLN 34 2HB GLN 34 26.454 -1.363 4.882 237 2HB GLN 34 1HB GLN 34 25.005 -1.999 4.116 238 1HG GLN 34 2HG GLN 34 26.405 -2.880 2.627 239 2HG GLN 34 1HG GLN 34 26.495 -1.250 1.961 240 1HE2 GLN 34 1HE2 GLN 34 28.441 -0.415 1.749 241 2HE2 GLN 34 2HE2 GLN 34 29.864 -0.920 2.588 242 H TYR 35 H TYR 35 24.524 -1.052 1.665 243 HA TYR 35 HA TYR 35 21.905 0.194 1.638 244 1HB TYR 35 2HB TYR 35 23.112 0.018 -0.462 245 2HB TYR 35 1HB TYR 35 23.245 -1.726 -0.277 246 HD1 TYR 35 1HD TYR 35 20.971 1.049 -1.077 247 HD2 TYR 35 2HD TYR 35 21.387 -3.175 -0.787 248 HE1 TYR 35 1HE TYR 35 18.871 0.761 -2.325 249 HE2 TYR 35 2HE TYR 35 19.287 -3.474 -2.033 250 HH TYR 35 HH TYR 35 17.933 -2.105 -3.711 251 H SER 36 H SER 36 20.352 -0.635 2.843 252 HA SER 36 HA SER 36 19.929 -3.543 2.816 253 1HB SER 36 2HB SER 36 20.341 -1.782 5.156 254 2HB SER 36 1HB SER 36 18.975 -2.890 5.282 255 HG SER 36 HG SER 36 21.473 -3.456 5.718 256 H GLU 37 H GLU 37 17.865 -4.094 2.289 257 HA GLU 37 HA GLU 37 16.035 -2.182 1.413 258 1HB GLU 37 2HB GLU 37 15.986 -4.547 0.711 259 2HB GLU 37 1HB GLU 37 15.403 -4.994 2.310 260 1HG GLU 37 2HG GLU 37 13.328 -4.633 1.652 261 2HG GLU 37 1HG GLU 37 13.716 -2.946 1.357 262 H ALA 38 H ALA 38 16.255 -3.831 4.534 263 HA ALA 38 HA ALA 38 13.855 -2.948 5.661 264 1HB ALA 38 1HB ALA 38 15.541 -4.616 6.591 265 2HB ALA 38 2HB ALA 38 14.764 -3.533 7.746 266 3HB ALA 38 3HB ALA 38 16.413 -3.214 7.210 267 H LYS 39 H LYS 39 16.875 -1.335 5.111 268 HA LYS 39 HA LYS 39 16.105 1.006 6.664 269 1HB LYS 39 2HB LYS 39 18.572 -0.215 5.726 270 2HB LYS 39 1HB LYS 39 18.532 1.503 5.393 271 1HG LYS 39 2HG LYS 39 19.586 1.072 7.519 272 2HG LYS 39 1HG LYS 39 18.072 1.947 7.754 273 1HD LYS 39 2HD LYS 39 17.995 0.301 9.386 274 2HD LYS 39 1HD LYS 39 17.038 -0.389 8.073 275 1HE LYS 39 2HE LYS 39 18.672 -1.918 7.508 276 2HE LYS 39 1HE LYS 39 19.966 -0.952 8.217 277 1HZ LYS 39 1HZ LYS 39 19.786 -2.518 9.817 278 2HZ LYS 39 2HZ LYS 39 18.162 -2.859 9.484 279 3HZ LYS 39 3HZ LYS 39 18.569 -1.489 10.389 280 H VAL 40 H VAL 40 16.140 -0.135 3.403 281 HA VAL 40 HA VAL 40 16.466 2.123 1.876 282 HB VAL 40 HB VAL 40 14.910 -0.405 1.520 283 1HG1 VAL 40 1HG1 VAL 40 13.388 0.728 0.262 284 2HG1 VAL 40 2HG1 VAL 40 14.634 0.457 -0.955 285 3HG1 VAL 40 3HG1 VAL 40 14.516 2.020 -0.146 286 1HG2 VAL 40 1HG2 VAL 40 17.266 0.893 0.197 287 2HG2 VAL 40 2HG2 VAL 40 16.478 -0.542 -0.459 288 3HG2 VAL 40 3HG2 VAL 40 17.216 -0.596 1.140 289 H SER 41 H SER 41 13.790 1.351 3.961 290 HA SER 41 HA SER 41 12.310 3.671 2.903 291 1HB SER 41 2HB SER 41 11.250 1.287 2.987 292 2HB SER 41 1HB SER 41 11.070 1.619 4.710 293 HG SER 41 HG SER 41 9.368 2.709 4.177 294 H GLN 42 H GLN 42 13.740 2.248 5.741 295 HA GLN 42 HA GLN 42 12.586 4.121 7.570 296 1HB GLN 42 2HB GLN 42 14.827 2.121 7.773 297 2HB GLN 42 1HB GLN 42 14.473 3.239 9.082 298 1HG GLN 42 2HG GLN 42 12.495 1.296 7.914 299 2HG GLN 42 1HG GLN 42 13.448 1.010 9.369 300 1HE2 GLN 42 1HE2 GLN 42 10.864 2.862 7.950 301 2HE2 GLN 42 2HE2 GLN 42 10.194 3.441 9.433 302 H TRP 43 H TRP 43 15.506 3.998 5.630 303 HA TRP 43 HA TRP 43 16.940 6.012 6.936 304 1HB TRP 43 2HB TRP 43 16.930 4.996 4.131 305 2HB TRP 43 1HB TRP 43 17.826 6.459 4.510 306 HD1 TRP 43 HD TRP 43 18.857 3.414 3.669 307 HE1 TRP 43 1HE TRP 43 20.750 2.427 5.063 308 HE3 TRP 43 3HE TRP 43 18.495 6.377 7.852 309 HZ2 TRP 43 2HZ TRP 43 21.948 2.803 7.575 310 HZ3 TRP 43 3HZ TRP 43 20.059 5.980 9.694 311 HH2 TRP 43 HH TRP 43 21.756 4.234 9.558 312 H THR 44 H THR 44 14.855 6.264 4.076 313 HA THR 44 HA THR 44 14.925 9.025 3.836 314 HB THR 44 HB THR 44 13.903 7.165 2.314 315 HG1 THR 44 1HG THR 44 13.159 8.753 1.102 316 1HG2 THR 44 1HG2 THR 44 11.478 8.019 3.843 317 2HG2 THR 44 2HG2 THR 44 12.057 6.384 3.534 318 3HG2 THR 44 3HG2 THR 44 11.420 7.361 2.211 319 H SER 45 H SER 45 13.340 7.087 6.186 320 HA SER 45 HA SER 45 11.417 9.027 7.033 321 1HB SER 45 2HB SER 45 10.766 7.441 8.569 322 2HB SER 45 1HB SER 45 11.659 6.383 7.489 323 HG SER 45 HG SER 45 12.975 5.999 9.069 324 H SER 46 H SER 46 14.685 8.076 7.869 325 HA SER 46 HA SER 46 15.021 9.922 10.022 326 1HB SER 46 2HB SER 46 16.742 8.049 8.501 327 2HB SER 46 1HB SER 46 17.559 9.443 9.206 328 HG SER 46 HG SER 46 17.494 7.672 10.650 329 H CYS 47 H CYS 47 15.455 9.968 6.554 330 HA CYS 47 HA CYS 47 16.898 12.400 6.404 331 1HB CYS 47 2HB CYS 47 15.987 10.516 4.557 332 2HB CYS 47 1HB CYS 47 15.090 11.962 4.170 333 HG CYS 47 HG CYS 47 18.101 12.376 4.391 334 H LEU 48 H LEU 48 13.515 11.527 6.495 335 HA LEU 48 HA LEU 48 12.477 14.093 6.010 336 1HB LEU 48 2HB LEU 48 11.457 11.489 6.901 337 2HB LEU 48 1HB LEU 48 10.593 12.849 7.588 338 HG LEU 48 HG LEU 48 9.685 13.465 5.589 339 1HD1 LEU 48 1HD1 LEU 48 12.072 12.249 4.239 340 2HD1 LEU 48 2HD1 LEU 48 11.597 13.943 4.294 341 3HD1 LEU 48 3HD1 LEU 48 10.648 12.798 3.357 342 1HD2 LEU 48 1HD2 LEU 48 8.857 11.249 6.082 343 2HD2 LEU 48 2HD2 LEU 48 10.213 10.526 5.216 344 3HD2 LEU 48 3HD2 LEU 48 9.000 11.453 4.335 345 H GLU 49 H GLU 49 13.576 12.459 8.921 346 HA GLU 49 HA GLU 49 12.709 14.659 10.570 347 1HB GLU 49 2HB GLU 49 12.996 12.260 11.406 348 2HB GLU 49 1HB GLU 49 14.725 12.616 11.442 349 1HG GLU 49 2HG GLU 49 13.992 14.723 12.752 350 2HG GLU 49 1HG GLU 49 12.520 13.819 13.054 351 H HIS 50 H HIS 50 15.585 13.640 8.888 352 HA HIS 50 HA HIS 50 17.222 15.732 10.036 353 1HB HIS 50 2HB HIS 50 17.689 13.663 7.892 354 2HB HIS 50 1HB HIS 50 18.863 14.928 8.239 355 HD1 HIS 50 1HD HIS 50 19.498 14.979 10.978 356 HD2 HIS 50 2HD HIS 50 18.174 11.416 9.298 357 HE1 HIS 50 1HE HIS 50 20.259 13.171 12.551 358 HE2 HIS 50 2HE HIS 50 19.363 11.033 11.563 359 H CYS 51 H CYS 51 14.734 15.842 7.932 360 HA CYS 51 HA CYS 51 15.924 17.895 6.203 361 1HB CYS 51 2HB CYS 51 14.726 15.940 5.077 362 2HB CYS 51 1HB CYS 51 13.257 16.474 5.883 363 HG CYS 51 HG CYS 51 13.234 18.583 4.420 364 H ILE 52 H ILE 52 13.157 16.979 8.148 365 HA ILE 52 HA ILE 52 11.868 19.462 8.226 366 HB ILE 52 HB ILE 52 10.902 17.218 8.794 367 1HG1 ILE 52 2HG1 ILE 52 9.706 19.270 9.326 368 2HG1 ILE 52 1HG1 ILE 52 9.386 17.989 10.490 369 1HG2 ILE 52 1HG2 ILE 52 11.193 16.179 10.856 370 2HG2 ILE 52 2HG2 ILE 52 12.025 17.578 11.531 371 3HG2 ILE 52 3HG2 ILE 52 12.814 16.587 10.305 372 1HD1 ILE 52 1HD1 ILE 52 9.734 19.615 11.963 373 2HD1 ILE 52 2HD1 ILE 52 10.698 20.576 10.839 374 3HD1 ILE 52 3HD1 ILE 52 11.424 19.214 11.683 375 H LYS 53 H LYS 53 14.181 17.921 10.470 376 HA LYS 53 HA LYS 53 14.227 19.903 12.429 377 1HB LYS 53 2HB LYS 53 16.033 17.705 11.596 378 2HB LYS 53 1HB LYS 53 16.752 18.971 12.575 379 1HG LYS 53 2HG LYS 53 15.921 17.010 13.861 380 2HG LYS 53 1HG LYS 53 15.244 18.550 14.369 381 1HD LYS 53 2HD LYS 53 13.716 17.104 12.322 382 2HD LYS 53 1HD LYS 53 13.778 16.340 13.906 383 1HE LYS 53 2HE LYS 53 13.163 18.715 14.778 384 2HE LYS 53 1HE LYS 53 12.638 18.990 13.127 385 1HZ LYS 53 1HZ LYS 53 10.723 18.199 14.025 386 2HZ LYS 53 2HZ LYS 53 11.510 17.219 15.158 387 3HZ LYS 53 3HZ LYS 53 11.406 16.727 13.543 388 H ARG 54 H ARG 54 15.876 19.707 9.349 389 HA ARG 54 HA ARG 54 17.661 21.888 9.863 390 1HB ARG 54 2HB ARG 54 17.348 19.927 7.862 391 2HB ARG 54 1HB ARG 54 17.159 21.471 7.046 392 1HG ARG 54 2HG ARG 54 19.431 21.232 8.918 393 2HG ARG 54 1HG ARG 54 19.523 20.299 7.424 394 1HD ARG 54 2HD ARG 54 18.612 22.872 6.718 395 2HD ARG 54 1HD ARG 54 19.949 23.100 7.842 396 HE ARG 54 HE ARG 54 20.675 21.179 5.926 397 1HH1 ARG 54 1HH1 ARG 54 20.070 24.616 6.174 398 2HH1 ARG 54 2HH1 ARG 54 21.146 25.020 4.879 399 1HH2 ARG 54 1HH2 ARG 54 22.086 21.719 4.227 400 2HH2 ARG 54 2HH2 ARG 54 22.288 23.378 3.776 401 H LEU 55 H LEU 55 14.614 21.486 8.134 402 HA LEU 55 HA LEU 55 14.368 24.084 7.145 403 1HB LEU 55 2HB LEU 55 12.275 22.055 7.912 404 2HB LEU 55 1HB LEU 55 11.912 23.553 7.070 405 HG LEU 55 HG LEU 55 13.779 21.429 6.026 406 1HD1 LEU 55 1HD1 LEU 55 11.042 21.232 6.182 407 2HD1 LEU 55 2HD1 LEU 55 12.090 20.356 5.068 408 3HD1 LEU 55 3HD1 LEU 55 11.316 21.855 4.555 409 1HD2 LEU 55 1HD2 LEU 55 12.635 23.277 4.125 410 2HD2 LEU 55 2HD2 LEU 55 14.316 22.825 4.398 411 3HD2 LEU 55 3HD2 LEU 55 13.579 24.104 5.360 412 H THR 56 H THR 56 13.777 22.778 10.310 413 HA THR 56 HA THR 56 12.248 24.986 11.282 414 HB THR 56 HB THR 56 12.359 23.955 13.389 415 HG1 THR 56 1HG THR 56 14.131 23.144 14.152 416 1HG2 THR 56 1HG2 THR 56 12.907 21.375 12.210 417 2HG2 THR 56 2HG2 THR 56 11.803 22.334 11.224 418 3HG2 THR 56 3HG2 THR 56 11.420 22.004 12.914 419 H ALA 57 H ALA 57 15.640 24.142 11.101 420 HA ALA 57 HA ALA 57 16.638 26.194 12.776 421 1HB ALA 57 1HB ALA 57 18.712 25.450 12.190 422 2HB ALA 57 2HB ALA 57 18.278 25.237 10.493 423 3HB ALA 57 3HB ALA 57 17.772 24.044 11.690 424 H LEU 58 H LEU 58 15.995 25.956 9.304 425 HA LEU 58 HA LEU 58 16.977 28.583 8.720 426 1HB LEU 58 2HB LEU 58 15.780 26.335 7.267 427 2HB LEU 58 1HB LEU 58 15.327 27.901 6.634 428 HG LEU 58 HG LEU 58 17.232 27.133 5.415 429 1HD1 LEU 58 1HD1 LEU 58 18.627 28.982 5.602 430 2HD1 LEU 58 2HD1 LEU 58 18.414 29.090 7.349 431 3HD1 LEU 58 3HD1 LEU 58 17.100 29.556 6.270 432 1HD2 LEU 58 1HD2 LEU 58 19.343 26.559 6.493 433 2HD2 LEU 58 2HD2 LEU 58 18.043 25.496 7.036 434 3HD2 LEU 58 3HD2 LEU 58 18.608 26.802 8.078 435 H ASN 59 H ASN 59 13.828 27.109 9.282 436 HA ASN 59 HA ASN 59 11.719 27.962 9.468 437 1HB ASN 59 2HB ASN 59 11.518 29.703 11.179 438 2HB ASN 59 1HB ASN 59 12.693 28.479 11.651 439 1HD2 ASN 59 1HD2 ASN 59 14.909 28.992 11.575 440 2HD2 ASN 59 2HD2 ASN 59 15.448 30.633 11.617 441 H LYS 60 H LYS 60 11.949 28.495 7.058 442 HA LYS 60 HA LYS 60 10.668 30.949 6.576 443 1HB LYS 60 2HB LYS 60 13.072 31.701 7.010 444 2HB LYS 60 1HB LYS 60 13.478 30.924 5.486 445 1HG LYS 60 2HG LYS 60 11.720 32.379 4.413 446 2HG LYS 60 1HG LYS 60 11.655 33.268 5.937 447 1HD LYS 60 2HD LYS 60 13.647 34.270 5.586 448 2HD LYS 60 1HD LYS 60 14.352 32.835 4.839 449 1HE LYS 60 2HE LYS 60 14.183 34.631 3.216 450 2HE LYS 60 1HE LYS 60 13.104 33.308 2.779 451 1HZ LYS 60 1HZ LYS 60 11.447 34.786 4.207 452 2HZ LYS 60 2HZ LYS 60 11.665 35.013 2.545 453 3HZ LYS 60 3HZ LYS 60 12.468 36.014 3.646 454 HA PRO 61 HA PRO 61 8.837 30.745 5.884 455 1HB PRO 61 2HB PRO 61 6.760 29.185 5.236 456 2HB PRO 61 1HB PRO 61 7.338 30.455 4.156 457 1HG PRO 61 2HG PRO 61 7.877 27.508 4.069 458 2HG PRO 61 1HG PRO 61 7.457 28.606 2.740 459 1HD PRO 61 2HD PRO 61 10.006 27.822 3.252 460 2HD PRO 61 1HD PRO 61 9.608 29.400 2.550 461 H PHE 62 H PHE 62 6.908 29.428 7.198 462 HA PHE 62 HA PHE 62 8.419 27.742 9.033 463 1HB PHE 62 2HB PHE 62 5.811 29.222 9.210 464 2HB PHE 62 1HB PHE 62 6.211 27.969 10.382 465 HD1 PHE 62 1HD PHE 62 7.611 31.071 8.869 466 HD2 PHE 62 2HD PHE 62 7.392 28.533 12.278 467 HE1 PHE 62 1HE PHE 62 8.912 32.707 10.165 468 HE2 PHE 62 2HE PHE 62 8.692 30.166 13.582 469 HZ PHE 62 HZ PHE 62 9.454 32.257 12.525 470 H LYS 63 H LYS 63 5.138 27.636 7.619 471 HA LYS 63 HA LYS 63 4.599 24.971 8.218 472 1HB LYS 63 2HB LYS 63 3.570 26.862 6.129 473 2HB LYS 63 1HB LYS 63 3.046 25.184 6.132 474 1HG LYS 63 2HG LYS 63 2.578 25.735 8.684 475 2HG LYS 63 1HG LYS 63 2.436 27.369 8.034 476 1HD LYS 63 2HD LYS 63 0.688 26.725 6.562 477 2HD LYS 63 1HD LYS 63 0.970 25.011 6.866 478 1HE LYS 63 2HE LYS 63 -1.032 26.026 8.023 479 2HE LYS 63 1HE LYS 63 0.102 25.158 9.058 480 1HZ LYS 63 1HZ LYS 63 0.552 28.018 8.733 481 2HZ LYS 63 2HZ LYS 63 0.734 27.041 10.102 482 3HZ LYS 63 3HZ LYS 63 -0.805 27.565 9.638 483 H TYR 64 H TYR 64 6.288 23.574 7.780 484 HA TYR 64 HA TYR 64 6.892 23.173 4.922 485 1HB TYR 64 2HB TYR 64 8.654 23.510 7.230 486 2HB TYR 64 1HB TYR 64 9.027 22.065 6.298 487 HD1 TYR 64 1HD TYR 64 9.713 25.460 6.639 488 HD2 TYR 64 2HD TYR 64 9.077 22.493 3.657 489 HE1 TYR 64 1HE TYR 64 10.948 26.834 5.018 490 HE2 TYR 64 2HE TYR 64 10.309 23.860 2.026 491 HH TYR 64 HH TYR 64 12.272 26.385 2.853 492 H VAL 65 H VAL 65 6.356 21.237 4.130 493 HA VAL 65 HA VAL 65 5.914 19.037 6.031 494 HB VAL 65 HB VAL 65 4.898 18.453 3.375 495 1HG1 VAL 65 1HG1 VAL 65 4.487 17.448 5.763 496 2HG1 VAL 65 2HG1 VAL 65 3.271 17.364 4.488 497 3HG1 VAL 65 3HG1 VAL 65 3.148 18.596 5.744 498 1HG2 VAL 65 1HG2 VAL 65 3.267 20.521 4.752 499 2HG2 VAL 65 2HG2 VAL 65 3.171 19.931 3.092 500 3HG2 VAL 65 3HG2 VAL 65 4.497 20.982 3.578 501 H VAL 66 H VAL 66 6.841 17.015 5.571 502 HA VAL 66 HA VAL 66 8.717 16.999 3.307 503 HB VAL 66 HB VAL 66 9.601 15.651 5.806 504 1HG1 VAL 66 1HG1 VAL 66 11.274 17.281 3.953 505 2HG1 VAL 66 2HG1 VAL 66 10.682 15.700 3.442 506 3HG1 VAL 66 3HG1 VAL 66 11.696 15.840 4.877 507 1HG2 VAL 66 1HG2 VAL 66 10.629 17.630 6.712 508 2HG2 VAL 66 2HG2 VAL 66 8.899 17.927 6.547 509 3HG2 VAL 66 3HG2 VAL 66 10.027 18.610 5.375 510 H THR 67 H THR 67 7.845 15.485 2.016 511 HA THR 67 HA THR 67 7.418 12.838 3.248 512 HB THR 67 HB THR 67 5.224 13.622 2.736 513 HG1 THR 67 1HG THR 67 5.607 11.469 2.147 514 1HG2 THR 67 1HG2 THR 67 6.377 15.095 0.743 515 2HG2 THR 67 2HG2 THR 67 4.646 14.877 1.007 516 3HG2 THR 67 3HG2 THR 67 5.503 13.841 -0.136 517 H CYS 68 H CYS 68 7.804 11.018 1.948 518 HA CYS 68 HA CYS 68 9.158 11.399 -0.583 519 1HB CYS 68 2HB CYS 68 11.122 10.006 0.290 520 2HB CYS 68 1HB CYS 68 11.068 11.696 0.765 521 HG CYS 68 HG CYS 68 11.538 10.557 2.937 522 H ILE 69 H ILE 69 9.505 9.447 -1.720 523 HA ILE 69 HA ILE 69 8.094 7.094 -0.671 524 HB ILE 69 HB ILE 69 7.820 8.302 -3.426 525 1HG1 ILE 69 2HG1 ILE 69 5.311 8.033 -2.598 526 2HG1 ILE 69 1HG1 ILE 69 6.082 8.136 -1.018 527 1HG2 ILE 69 1HG2 ILE 69 6.686 5.702 -2.408 528 2HG2 ILE 69 2HG2 ILE 69 7.947 5.881 -3.629 529 3HG2 ILE 69 3HG2 ILE 69 6.311 6.451 -3.959 530 1HD1 ILE 69 1HD1 ILE 69 7.229 10.216 -2.377 531 2HD1 ILE 69 2HD1 ILE 69 5.870 10.336 -1.260 532 3HD1 ILE 69 3HD1 ILE 69 5.577 10.207 -2.995 533 H ILE 70 H ILE 70 9.028 5.124 -1.183 534 HA ILE 70 HA ILE 70 11.651 5.296 -2.498 535 HB ILE 70 HB ILE 70 12.187 3.175 -1.374 536 1HG1 ILE 70 2HG1 ILE 70 9.563 3.538 0.084 537 2HG1 ILE 70 1HG1 ILE 70 9.819 2.370 -1.208 538 1HG2 ILE 70 1HG2 ILE 70 12.215 4.106 0.963 539 2HG2 ILE 70 2HG2 ILE 70 11.276 5.467 0.347 540 3HG2 ILE 70 3HG2 ILE 70 12.895 5.155 -0.281 541 1HD1 ILE 70 1HD1 ILE 70 11.783 2.212 0.947 542 2HD1 ILE 70 2HD1 ILE 70 10.871 0.937 0.140 543 3HD1 ILE 70 3HD1 ILE 70 10.126 1.866 1.440 544 H MET 71 H MET 71 12.127 4.155 -4.273 545 HA MET 71 HA MET 71 10.060 2.335 -5.325 546 1HB MET 71 2HB MET 71 10.619 4.635 -6.490 547 2HB MET 71 1HB MET 71 11.985 3.736 -7.133 548 1HG MET 71 2HG MET 71 9.800 2.072 -7.546 549 2HG MET 71 1HG MET 71 9.200 3.688 -7.907 550 1HE MET 71 1HE MET 71 12.128 1.245 -8.433 551 2HE MET 71 2HE MET 71 13.055 2.744 -8.489 552 3HE MET 71 3HE MET 71 12.860 1.773 -9.949 553 H GLN 72 H GLN 72 10.777 0.329 -4.985 554 HA GLN 72 HA GLN 72 13.605 -0.292 -5.101 555 1HB GLN 72 2HB GLN 72 11.621 -1.263 -3.562 556 2HB GLN 72 1HB GLN 72 11.612 -2.468 -4.842 557 1HG GLN 72 2HG GLN 72 13.157 -3.471 -3.576 558 2HG GLN 72 1HG GLN 72 14.256 -2.319 -4.330 559 1HE2 GLN 72 1HE2 GLN 72 11.842 -2.071 -1.742 560 2HE2 GLN 72 2HE2 GLN 72 12.918 -1.401 -0.567 561 H LYS 73 H LYS 73 14.532 -1.874 -6.458 562 HA LYS 73 HA LYS 73 14.958 -2.905 -8.435 563 1HB LYS 73 2HB LYS 73 12.642 -3.966 -7.669 564 2HB LYS 73 1HB LYS 73 12.064 -3.134 -9.107 565 1HG LYS 73 2HG LYS 73 14.496 -4.819 -9.351 566 2HG LYS 73 1HG LYS 73 12.932 -5.620 -9.193 567 1HD LYS 73 2HD LYS 73 12.089 -4.462 -11.130 568 2HD LYS 73 1HD LYS 73 13.561 -3.494 -11.239 569 1HE LYS 73 2HE LYS 73 14.197 -5.053 -12.727 570 2HE LYS 73 1HE LYS 73 14.588 -6.001 -11.292 571 1HZ LYS 73 1HZ LYS 73 13.284 -7.322 -12.782 572 2HZ LYS 73 2HZ LYS 73 12.080 -6.139 -12.875 573 3HZ LYS 73 3HZ LYS 73 12.339 -6.968 -11.425 574 H ASN 74 H ASN 74 15.357 -2.321 -10.525 575 HA ASN 74 HA ASN 74 14.378 0.305 -11.318 576 1HB ASN 74 2HB ASN 74 16.119 0.070 -13.132 577 2HB ASN 74 1HB ASN 74 16.746 0.053 -11.487 578 1HD2 ASN 74 1HD2 ASN 74 18.480 -0.892 -13.078 579 2HD2 ASN 74 2HD2 ASN 74 18.529 -2.618 -13.126 580 H GLY 75 H GLY 75 12.396 0.160 -12.224 581 1HA GLY 75 2HA GLY 75 11.854 -0.352 -14.773 582 2HA GLY 75 1HA GLY 75 11.812 -1.981 -14.116 583 H ALA 76 H ALA 76 10.738 -0.983 -11.531 584 HA ALA 76 HA ALA 76 7.981 -1.249 -12.154 585 1HB ALA 76 1HB ALA 76 8.645 -2.116 -10.077 586 2HB ALA 76 2HB ALA 76 7.707 -0.676 -9.684 587 3HB ALA 76 3HB ALA 76 9.468 -0.625 -9.620 588 H GLY 77 H GLY 77 6.603 0.263 -12.805 589 1HA GLY 77 2HA GLY 77 7.347 3.004 -13.004 590 2HA GLY 77 1HA GLY 77 5.761 2.334 -13.352 591 H LEU 78 H LEU 78 6.616 4.800 -11.904 592 HA LEU 78 HA LEU 78 4.970 4.349 -9.522 593 1HB LEU 78 2HB LEU 78 7.299 4.265 -8.785 594 2HB LEU 78 1HB LEU 78 7.609 5.815 -9.543 595 HG LEU 78 HG LEU 78 5.662 6.605 -7.927 596 1HD1 LEU 78 1HD1 LEU 78 6.194 5.345 -5.701 597 2HD1 LEU 78 2HD1 LEU 78 6.622 4.023 -6.786 598 3HD1 LEU 78 3HD1 LEU 78 4.996 4.703 -6.824 599 1HD2 LEU 78 1HD2 LEU 78 7.925 7.502 -7.962 600 2HD2 LEU 78 2HD2 LEU 78 8.503 6.112 -7.043 601 3HD2 LEU 78 3HD2 LEU 78 7.377 7.251 -6.305 602 H HIS 79 H HIS 79 3.536 5.934 -9.109 603 HA HIS 79 HA HIS 79 3.887 8.583 -10.242 604 1HB HIS 79 2HB HIS 79 2.040 6.582 -11.345 605 2HB HIS 79 1HB HIS 79 1.282 8.130 -10.983 606 HD1 HIS 79 1HD HIS 79 2.524 6.544 -13.763 607 HD2 HIS 79 2HD HIS 79 3.369 10.247 -12.078 608 HE1 HIS 79 1HE HIS 79 3.502 7.923 -15.625 609 HE2 HIS 79 2HE HIS 79 4.081 10.133 -14.562 610 H THR 80 H THR 80 2.843 10.160 -9.102 611 HA THR 80 HA THR 80 1.108 9.281 -6.889 612 HB THR 80 HB THR 80 3.052 11.580 -6.710 613 HG1 THR 80 1HG THR 80 4.564 10.182 -6.428 614 1HG2 THR 80 1HG2 THR 80 2.660 10.418 -4.215 615 2HG2 THR 80 2HG2 THR 80 1.055 10.517 -4.940 616 3HG2 THR 80 3HG2 THR 80 2.044 11.968 -4.783 617 H ALA 81 H ALA 81 -0.471 10.795 -6.168 618 HA ALA 81 HA ALA 81 -0.930 13.127 -7.887 619 1HB ALA 81 1HB ALA 81 -2.405 11.769 -9.017 620 2HB ALA 81 2HB ALA 81 -3.454 12.395 -7.750 621 3HB ALA 81 3HB ALA 81 -2.755 10.784 -7.599 622 H ALA 82 H ALA 82 -1.961 14.830 -6.814 623 HA ALA 82 HA ALA 82 -3.095 14.390 -4.206 624 1HB ALA 82 1HB ALA 82 -0.622 16.065 -4.343 625 2HB ALA 82 2HB ALA 82 -0.634 14.373 -3.843 626 3HB ALA 82 3HB ALA 82 -1.530 15.575 -2.913 627 H SER 83 H SER 83 -4.627 15.755 -3.819 628 HA SER 83 HA SER 83 -4.676 18.321 -5.258 629 1HB SER 83 2HB SER 83 -6.503 16.662 -5.815 630 2HB SER 83 1HB SER 83 -7.044 16.791 -4.143 631 HG SER 83 HG SER 83 -6.945 18.855 -6.086 632 H CYS 84 H CYS 84 -4.212 19.970 -3.942 633 HA CYS 84 HA CYS 84 -4.648 19.649 -1.072 634 1HB CYS 84 2HB CYS 84 -2.606 20.845 -2.642 635 2HB CYS 84 1HB CYS 84 -3.342 22.110 -1.667 636 HG CYS 84 HG CYS 84 -2.812 20.405 0.414 637 H TRP 85 H TRP 85 -5.889 21.010 0.153 638 HA TRP 85 HA TRP 85 -8.007 22.351 -1.244 639 1HB TRP 85 2HB TRP 85 -7.822 21.171 1.195 640 2HB TRP 85 1HB TRP 85 -7.727 22.869 1.646 641 HD1 TRP 85 HD TRP 85 -9.933 21.066 -0.982 642 HE1 TRP 85 1HE TRP 85 -12.375 21.739 -0.562 643 HE3 TRP 85 3HE TRP 85 -9.259 24.019 3.133 644 HZ2 TRP 85 2HZ TRP 85 -13.833 23.318 1.275 645 HZ3 TRP 85 3HZ TRP 85 -11.229 25.075 4.163 646 HH2 TRP 85 HH TRP 85 -13.468 24.731 3.252 647 H TRP 86 H TRP 86 -4.907 23.373 -0.566 648 HA TRP 86 HA TRP 86 -5.765 26.184 -0.604 649 1HB TRP 86 2HB TRP 86 -3.190 25.437 0.726 650 2HB TRP 86 1HB TRP 86 -4.227 26.830 1.008 651 HD1 TRP 86 HD TRP 86 -6.310 26.491 2.671 652 HE1 TRP 86 1HE TRP 86 -6.792 24.715 4.467 653 HE3 TRP 86 3HE TRP 86 -2.857 22.983 1.297 654 HZ2 TRP 86 2HZ TRP 86 -5.835 22.164 5.207 655 HZ3 TRP 86 3HZ TRP 86 -2.704 20.903 2.601 656 HH2 TRP 86 HH TRP 86 -4.162 20.503 4.518 657 H ASP 87 H ASP 87 -3.771 27.610 -1.246 658 HA ASP 87 HA ASP 87 -1.800 26.448 -2.928 659 1HB ASP 87 2HB ASP 87 -4.175 26.454 -4.186 660 2HB ASP 87 1HB ASP 87 -3.637 28.082 -4.588 661 H SER 88 H SER 88 -3.731 29.348 -2.272 662 HA SER 88 HA SER 88 -1.883 31.243 -3.183 663 1HB SER 88 2HB SER 88 -4.294 31.664 -2.559 664 2HB SER 88 1HB SER 88 -3.789 31.632 -0.870 665 HG SER 88 HG SER 88 -2.456 33.403 -1.279 666 H THR 89 H THR 89 -2.064 29.459 -0.186 667 HA THR 89 HA THR 89 0.255 30.952 0.836 668 HB THR 89 HB THR 89 -1.471 31.048 2.448 669 HG1 THR 89 1HG THR 89 -0.395 30.244 4.092 670 1HG2 THR 89 1HG2 THR 89 -2.670 29.127 3.319 671 2HG2 THR 89 2HG2 THR 89 -1.842 28.074 2.173 672 3HG2 THR 89 3HG2 THR 89 -2.951 29.315 1.588 673 H THR 90 H THR 90 -1.044 27.694 0.390 674 HA THR 90 HA THR 90 1.408 26.406 1.134 675 HB THR 90 HB THR 90 0.276 24.341 0.436 676 HG1 THR 90 1HG THR 90 -1.753 26.091 -0.483 677 1HG2 THR 90 1HG2 THR 90 -1.503 24.302 1.994 678 2HG2 THR 90 2HG2 THR 90 -1.701 26.052 1.908 679 3HG2 THR 90 3HG2 THR 90 -0.257 25.364 2.652 680 H ASP 91 H ASP 91 2.833 27.543 -0.342 681 HA ASP 91 HA ASP 91 2.820 26.289 -2.996 682 1HB ASP 91 2HB ASP 91 2.065 28.666 -3.122 683 2HB ASP 91 1HB ASP 91 3.627 29.152 -2.469 684 H GLY 92 H GLY 92 4.303 24.765 -2.118 685 1HA GLY 92 2HA GLY 92 7.051 25.715 -2.315 686 2HA GLY 92 1HA GLY 92 6.600 25.010 -0.780 687 H SER 93 H SER 93 4.825 23.011 -2.112 688 HA SER 93 HA SER 93 6.178 20.749 -2.078 689 1HB SER 93 2HB SER 93 4.611 19.801 -3.718 690 2HB SER 93 1HB SER 93 3.794 20.866 -2.574 691 HG SER 93 HG SER 93 3.538 21.026 -5.082 692 H ARG 94 H ARG 94 8.075 20.160 -2.824 693 HA ARG 94 HA ARG 94 8.597 20.291 -5.690 694 1HB ARG 94 2HB ARG 94 9.945 21.942 -3.730 695 2HB ARG 94 1HB ARG 94 11.090 20.870 -4.525 696 1HG ARG 94 2HG ARG 94 11.160 22.648 -5.940 697 2HG ARG 94 1HG ARG 94 9.865 21.716 -6.693 698 1HD ARG 94 2HD ARG 94 8.465 23.189 -4.900 699 2HD ARG 94 1HD ARG 94 9.775 24.302 -5.294 700 HE ARG 94 HE ARG 94 8.856 23.374 -7.709 701 1HH1 ARG 94 1HH1 ARG 94 7.454 25.072 -4.990 702 2HH1 ARG 94 2HH1 ARG 94 6.280 25.897 -5.959 703 1HH2 ARG 94 1HH2 ARG 94 7.312 24.463 -8.972 704 2HH2 ARG 94 2HH2 ARG 94 6.198 25.552 -8.215 705 H THR 95 H THR 95 9.002 18.258 -6.264 706 HA THR 95 HA THR 95 9.987 16.376 -4.290 707 HB THR 95 HB THR 95 8.057 15.728 -5.592 708 HG1 THR 95 1HG THR 95 9.202 13.968 -5.071 709 1HG2 THR 95 1HG2 THR 95 9.414 15.200 -8.080 710 2HG2 THR 95 2HG2 THR 95 9.320 16.925 -7.723 711 3HG2 THR 95 3HG2 THR 95 7.849 15.953 -7.775 712 H VAL 96 H VAL 96 11.736 15.010 -4.553 713 HA VAL 96 HA VAL 96 13.722 15.805 -6.583 714 HB VAL 96 HB VAL 96 14.426 14.911 -3.786 715 1HG1 VAL 96 1HG1 VAL 96 15.980 15.978 -6.119 716 2HG1 VAL 96 2HG1 VAL 96 16.235 14.491 -5.206 717 3HG1 VAL 96 3HG1 VAL 96 16.611 16.050 -4.474 718 1HG2 VAL 96 1HG2 VAL 96 14.106 17.693 -4.879 719 2HG2 VAL 96 2HG2 VAL 96 15.071 17.329 -3.448 720 3HG2 VAL 96 3HG2 VAL 96 13.342 16.983 -3.456 721 H ARG 97 H ARG 97 14.973 14.109 -7.447 722 HA ARG 97 HA ARG 97 14.104 11.408 -6.641 723 1HB ARG 97 2HB ARG 97 14.838 12.235 -9.446 724 2HB ARG 97 1HB ARG 97 14.168 10.694 -8.931 725 1HG ARG 97 2HG ARG 97 12.534 13.028 -8.240 726 2HG ARG 97 1HG ARG 97 12.729 12.743 -9.970 727 1HD ARG 97 2HD ARG 97 12.088 10.330 -9.483 728 2HD ARG 97 1HD ARG 97 11.590 10.895 -7.890 729 HE ARG 97 HE ARG 97 10.317 12.554 -9.656 730 1HH1 ARG 97 1HH1 ARG 97 10.404 9.095 -9.140 731 2HH1 ARG 97 2HH1 ARG 97 8.793 8.848 -9.720 732 1HH2 ARG 97 1HH2 ARG 97 8.201 12.219 -10.417 733 2HH2 ARG 97 2HH2 ARG 97 7.543 10.617 -10.444 734 H TRP 98 H TRP 98 15.719 10.455 -5.635 735 HA TRP 98 HA TRP 98 18.498 10.923 -6.490 736 1HB TRP 98 2HB TRP 98 17.139 10.198 -3.982 737 2HB TRP 98 1HB TRP 98 18.527 9.182 -4.307 738 HD1 TRP 98 HD TRP 98 17.936 11.721 -2.117 739 HE1 TRP 98 1HE TRP 98 19.919 13.319 -1.768 740 HE3 TRP 98 3HE TRP 98 20.623 10.689 -6.340 741 HZ2 TRP 98 2HZ TRP 98 22.245 14.094 -3.086 742 HZ3 TRP 98 3HZ TRP 98 22.725 11.909 -6.722 743 HH2 TRP 98 HH TRP 98 23.523 13.576 -5.125 744 H GLU 99 H GLU 99 19.726 9.292 -7.369 745 HA GLU 99 HA GLU 99 18.674 6.580 -7.451 746 1HB GLU 99 2HB GLU 99 18.777 8.420 -9.734 747 2HB GLU 99 1HB GLU 99 19.540 6.866 -10.044 748 1HG GLU 99 2HG GLU 99 17.578 5.870 -10.266 749 2HG GLU 99 1HG GLU 99 17.012 6.505 -8.723 750 H ASN 100 H ASN 100 20.247 4.991 -7.766 751 HA ASN 100 HA ASN 100 23.028 5.956 -7.845 752 1HB ASN 100 2HB ASN 100 23.537 3.975 -6.311 753 2HB ASN 100 1HB ASN 100 22.723 5.357 -5.584 754 1HD2 ASN 100 1HD2 ASN 100 22.823 2.235 -5.317 755 2HD2 ASN 100 2HD2 ASN 100 21.167 1.844 -5.022 756 H LYS 101 H LYS 101 21.018 3.030 -8.186 757 HA LYS 101 HA LYS 101 22.320 2.416 -10.691 758 1HB LYS 101 2HB LYS 101 22.900 0.080 -9.916 759 2HB LYS 101 1HB LYS 101 23.919 1.367 -9.288 760 1HG LYS 101 2HG LYS 101 23.576 0.316 -7.335 761 2HG LYS 101 1HG LYS 101 22.076 1.247 -7.338 762 1HD LYS 101 2HD LYS 101 21.168 -0.800 -6.988 763 2HD LYS 101 1HD LYS 101 21.266 -0.879 -8.748 764 1HE LYS 101 2HE LYS 101 22.881 -2.447 -8.713 765 2HE LYS 101 1HE LYS 101 23.699 -1.719 -7.331 766 1HZ LYS 101 1HZ LYS 101 21.642 -3.776 -7.400 767 2HZ LYS 101 2HZ LYS 101 21.515 -2.642 -6.151 768 3HZ LYS 101 3HZ LYS 101 22.925 -3.562 -6.318 769 H SER 102 H SER 102 20.140 1.249 -8.147 770 HA SER 102 HA SER 102 18.182 0.593 -10.216 771 1HB SER 102 2HB SER 102 19.453 -1.495 -9.706 772 2HB SER 102 1HB SER 102 18.919 -1.365 -8.030 773 HG SER 102 HG SER 102 17.661 -2.630 -9.824 774 H MET 103 H MET 103 18.839 0.777 -6.730 775 HA MET 103 HA MET 103 16.066 1.081 -6.058 776 1HB MET 103 2HB MET 103 18.120 0.208 -4.628 777 2HB MET 103 1HB MET 103 18.235 1.905 -4.181 778 1HG MET 103 2HG MET 103 15.737 0.255 -3.898 779 2HG MET 103 1HG MET 103 16.914 0.502 -2.610 780 1HE MET 103 1HE MET 103 13.389 2.717 -3.719 781 2HE MET 103 2HE MET 103 13.525 1.922 -2.152 782 3HE MET 103 3HE MET 103 13.866 1.022 -3.628 783 H TYR 104 H TYR 104 14.967 2.872 -6.506 784 HA TYR 104 HA TYR 104 16.383 5.444 -6.512 785 1HB TYR 104 2HB TYR 104 13.591 4.955 -7.540 786 2HB TYR 104 1HB TYR 104 14.662 6.298 -7.910 787 HD1 TYR 104 1HD TYR 104 17.081 4.169 -8.248 788 HD2 TYR 104 2HD TYR 104 13.218 4.682 -9.963 789 HE1 TYR 104 1HE TYR 104 17.832 3.003 -10.278 790 HE2 TYR 104 2HE TYR 104 13.961 3.515 -11.994 791 HH TYR 104 HH TYR 104 15.654 1.972 -12.719 792 H CYS 105 H CYS 105 15.667 7.194 -5.316 793 HA CYS 105 HA CYS 105 13.494 6.693 -3.402 794 1HB CYS 105 2HB CYS 105 16.182 7.898 -2.714 795 2HB CYS 105 1HB CYS 105 14.820 7.732 -1.611 796 HG CYS 105 HG CYS 105 15.205 5.029 -2.145 797 H ILE 106 H ILE 106 11.987 8.179 -3.716 798 HA ILE 106 HA ILE 106 12.781 10.827 -4.691 799 HB ILE 106 HB ILE 106 11.174 9.836 -6.134 800 1HG1 ILE 106 2HG1 ILE 106 9.214 11.476 -4.633 801 2HG1 ILE 106 1HG1 ILE 106 10.730 12.275 -5.048 802 1HG2 ILE 106 1HG2 ILE 106 10.313 8.084 -4.800 803 2HG2 ILE 106 2HG2 ILE 106 8.946 9.082 -5.296 804 3HG2 ILE 106 3HG2 ILE 106 9.591 9.219 -3.663 805 1HD1 ILE 106 1HD1 ILE 106 9.441 10.765 -7.217 806 2HD1 ILE 106 2HD1 ILE 106 10.245 12.334 -7.241 807 3HD1 ILE 106 3HD1 ILE 106 8.588 12.201 -6.655 808 H CYS 107 H CYS 107 12.436 12.646 -3.529 809 HA CYS 107 HA CYS 107 10.816 12.484 -1.096 810 1HB CYS 107 2HB CYS 107 13.135 12.066 -0.405 811 2HB CYS 107 1HB CYS 107 13.636 13.569 -1.171 812 HG CYS 107 HG CYS 107 11.563 14.146 0.917 813 H THR 108 H THR 108 9.430 14.111 -1.042 814 HA THR 108 HA THR 108 10.100 16.563 -2.513 815 HB THR 108 HB THR 108 8.087 15.132 -3.257 816 HG1 THR 108 1HG THR 108 7.135 16.941 -3.981 817 1HG2 THR 108 1HG2 THR 108 5.943 15.799 -2.176 818 2HG2 THR 108 2HG2 THR 108 6.877 16.436 -0.822 819 3HG2 THR 108 3HG2 THR 108 6.942 14.717 -1.209 820 H VAL 109 H VAL 109 9.947 18.505 -1.595 821 HA VAL 109 HA VAL 109 9.280 18.562 1.275 822 HB VAL 109 HB VAL 109 10.798 20.875 0.277 823 1HG1 VAL 109 1HG1 VAL 109 10.665 19.132 2.664 824 2HG1 VAL 109 2HG1 VAL 109 10.682 20.891 2.538 825 3HG1 VAL 109 3HG1 VAL 109 12.182 19.980 2.366 826 1HG2 VAL 109 1HG2 VAL 109 11.839 19.046 -1.055 827 2HG2 VAL 109 2HG2 VAL 109 12.261 18.251 0.460 828 3HG2 VAL 109 3HG2 VAL 109 12.936 19.835 0.078 829 H PHE 110 H PHE 110 7.551 19.693 1.798 830 HA PHE 110 HA PHE 110 6.386 21.452 -0.225 831 1HB PHE 110 2HB PHE 110 5.338 19.775 1.984 832 2HB PHE 110 1HB PHE 110 4.448 21.239 1.614 833 HD1 PHE 110 1HD PHE 110 2.526 20.653 0.496 834 HD2 PHE 110 2HD PHE 110 6.194 18.769 -0.557 835 HE1 PHE 110 1HE PHE 110 1.388 19.472 -1.338 836 HE2 PHE 110 2HE PHE 110 5.064 17.588 -2.395 837 HZ PHE 110 HZ PHE 110 2.657 17.939 -2.788 838 H GLY 111 H GLY 111 7.341 23.381 0.022 839 1HA GLY 111 2HA GLY 111 7.686 24.567 2.665 840 2HA GLY 111 1HA GLY 111 8.262 25.234 1.143 841 H LEU 112 H LEU 112 5.403 24.676 3.096 842 HA LEU 112 HA LEU 112 3.736 26.380 1.494 843 1HB LEU 112 2HB LEU 112 3.370 25.046 4.177 844 2HB LEU 112 1HB LEU 112 2.131 26.019 3.419 845 HG LEU 112 HG LEU 112 1.622 24.409 1.856 846 1HD1 LEU 112 1HD1 LEU 112 3.847 24.194 0.863 847 2HD1 LEU 112 2HD1 LEU 112 3.082 22.622 1.092 848 3HD1 LEU 112 3HD1 LEU 112 4.340 23.160 2.205 849 1HD2 LEU 112 1HD2 LEU 112 2.779 22.700 4.031 850 2HD2 LEU 112 2HD2 LEU 112 1.464 22.288 2.931 851 3HD2 LEU 112 3HD2 LEU 112 1.238 23.552 4.139 852 H ALA 113 H ALA 113 3.372 28.486 1.723 853 HA ALA 113 HA ALA 113 4.978 30.078 3.431 854 1HB ALA 113 1HB ALA 113 4.114 30.747 1.178 855 2HB ALA 113 2HB ALA 113 3.889 31.954 2.444 856 3HB ALA 113 3HB ALA 113 2.529 30.961 1.920 857 H ILE 114 H ILE 114 4.376 29.107 5.507 858 HA ILE 114 HA ILE 114 3.303 29.118 7.516 859 HB ILE 114 HB ILE 114 2.019 31.681 6.577 860 1HG1 ILE 114 2HG1 ILE 114 4.671 31.403 7.997 861 2HG1 ILE 114 1HG1 ILE 114 4.530 31.601 6.253 862 1HG2 ILE 114 1HG2 ILE 114 1.774 32.222 8.854 863 2HG2 ILE 114 2HG2 ILE 114 2.848 30.920 9.363 864 3HG2 ILE 114 3HG2 ILE 114 1.252 30.543 8.713 865 1HD1 ILE 114 1HD1 ILE 114 5.016 33.685 7.556 866 2HD1 ILE 114 2HD1 ILE 114 3.389 33.558 8.224 867 3HD1 ILE 114 3HD1 ILE 114 3.616 33.768 6.487 868 1H MET 1 1HT MET 1 -16.398 -14.229 -12.499 869 HA MET 1 HA MET 1 -15.943 -12.563 -11.295 870 1HB MET 1 2HB MET 1 -17.691 -11.418 -9.961 871 2HB MET 1 1HB MET 1 -18.211 -11.759 -11.606 872 1HG MET 1 2HG MET 1 -19.563 -13.581 -10.879 873 2HG MET 1 1HG MET 1 -18.901 -13.491 -9.247 874 1HE MET 1 1HE MET 1 -22.523 -12.466 -10.696 875 2HE MET 1 2HE MET 1 -22.548 -12.777 -8.960 876 3HE MET 1 3HE MET 1 -21.630 -13.835 -10.032 877 H GLU 2 H GLU 2 -15.412 -15.225 -10.390 878 HA GLU 2 HA GLU 2 -15.611 -14.977 -7.471 879 1HB GLU 2 2HB GLU 2 -16.427 -17.083 -8.439 880 2HB GLU 2 1HB GLU 2 -14.852 -17.361 -9.171 881 1HG GLU 2 2HG GLU 2 -13.978 -17.205 -6.735 882 2HG GLU 2 1HG GLU 2 -15.659 -17.514 -6.302 883 H GLY 3 H GLY 3 -13.925 -14.063 -6.505 884 1HA GLY 3 2HA GLY 3 -11.513 -14.655 -5.982 885 2HA GLY 3 1HA GLY 3 -11.252 -14.438 -7.706 886 H VAL 4 H VAL 4 -13.175 -12.163 -7.763 887 HA VAL 4 HA VAL 4 -11.279 -10.093 -7.259 888 HB VAL 4 HB VAL 4 -14.220 -9.773 -7.876 889 1HG1 VAL 4 1HG1 VAL 4 -12.886 -7.785 -7.038 890 2HG1 VAL 4 2HG1 VAL 4 -13.703 -7.585 -8.587 891 3HG1 VAL 4 3HG1 VAL 4 -11.968 -7.894 -8.539 892 1HG2 VAL 4 1HG2 VAL 4 -12.466 -11.121 -9.458 893 2HG2 VAL 4 2HG2 VAL 4 -12.278 -9.474 -10.058 894 3HG2 VAL 4 3HG2 VAL 4 -13.870 -10.232 -10.048 895 H ASP 5 H ASP 5 -10.865 -9.197 -5.353 896 HA ASP 5 HA ASP 5 -12.975 -9.199 -3.301 897 1HB ASP 5 2HB ASP 5 -10.503 -10.268 -3.087 898 2HB ASP 5 1HB ASP 5 -10.179 -8.636 -2.509 899 HA PRO 6 HA PRO 6 -12.790 -4.748 -4.326 900 1HB PRO 6 2HB PRO 6 -15.212 -4.654 -2.650 901 2HB PRO 6 1HB PRO 6 -14.983 -4.136 -4.322 902 1HG PRO 6 2HG PRO 6 -16.413 -6.321 -3.711 903 2HG PRO 6 1HG PRO 6 -15.410 -6.240 -5.172 904 1HD PRO 6 2HD PRO 6 -14.837 -7.578 -2.552 905 2HD PRO 6 1HD PRO 6 -14.537 -8.161 -4.203 906 H ALA 7 H ALA 7 -11.456 -3.504 -3.208 907 HA ALA 7 HA ALA 7 -10.503 -2.305 -1.516 908 1HB ALA 7 1HB ALA 7 -12.028 -2.627 0.765 909 2HB ALA 7 2HB ALA 7 -13.200 -2.788 -0.542 910 3HB ALA 7 3HB ALA 7 -12.198 -1.342 -0.432 911 H VAL 8 H VAL 8 -12.008 -5.054 0.139 912 HA VAL 8 HA VAL 8 -11.157 -6.800 1.336 913 HB VAL 8 HB VAL 8 -8.294 -6.316 0.737 914 1HG1 VAL 8 1HG1 VAL 8 -8.131 -8.555 0.932 915 2HG1 VAL 8 2HG1 VAL 8 -9.658 -8.854 0.100 916 3HG1 VAL 8 3HG1 VAL 8 -9.658 -8.353 1.792 917 1HG2 VAL 8 1HG2 VAL 8 -8.809 -7.563 -1.539 918 2HG2 VAL 8 2HG2 VAL 8 -8.734 -5.806 -1.423 919 3HG2 VAL 8 3HG2 VAL 8 -10.296 -6.622 -1.421 920 H GLU 9 H GLU 9 -8.559 -4.404 1.336 921 HA GLU 9 HA GLU 9 -8.666 -4.366 4.270 922 1HB GLU 9 2HB GLU 9 -6.507 -4.546 2.310 923 2HB GLU 9 1HB GLU 9 -6.223 -3.327 3.531 924 1HG GLU 9 2HG GLU 9 -7.178 -5.857 4.614 925 2HG GLU 9 1HG GLU 9 -5.643 -5.984 3.757 926 H GLU 10 H GLU 10 -10.146 -2.689 4.500 927 HA GLU 10 HA GLU 10 -9.860 -0.202 3.111 928 1HB GLU 10 2HB GLU 10 -11.945 -1.376 4.333 929 2HB GLU 10 1HB GLU 10 -11.421 -0.313 5.632 930 1HG GLU 10 2HG GLU 10 -13.019 0.924 4.486 931 2HG GLU 10 1HG GLU 10 -11.483 1.552 3.890 932 H ALA 11 H ALA 11 -8.499 1.382 3.577 933 HA ALA 11 HA ALA 11 -7.090 1.356 6.132 934 1HB ALA 11 1HB ALA 11 -5.814 3.281 4.903 935 2HB ALA 11 2HB ALA 11 -6.580 2.599 3.469 936 3HB ALA 11 3HB ALA 11 -5.525 1.597 4.466 937 H ALA 12 H ALA 12 -6.693 3.436 7.236 938 HA ALA 12 HA ALA 12 -7.418 5.297 8.322 939 1HB ALA 12 1HB ALA 12 -8.976 6.831 6.942 940 2HB ALA 12 2HB ALA 12 -8.637 5.715 5.622 941 3HB ALA 12 3HB ALA 12 -7.317 6.586 6.398 942 H PHE 13 H PHE 13 -8.788 5.364 9.965 943 HA PHE 13 HA PHE 13 -11.439 4.127 9.629 944 1HB PHE 13 2HB PHE 13 -9.850 3.049 11.253 945 2HB PHE 13 1HB PHE 13 -9.928 4.521 12.217 946 HD1 PHE 13 1HD PHE 13 -11.605 4.802 13.799 947 HD2 PHE 13 2HD PHE 13 -12.047 1.827 10.788 948 HE1 PHE 13 1HE PHE 13 -13.610 3.949 14.941 949 HE2 PHE 13 2HE PHE 13 -14.052 0.969 11.926 950 HZ PHE 13 HZ PHE 13 -14.837 2.030 14.005 951 H VAL 14 H VAL 14 -9.732 6.995 10.623 952 HA VAL 14 HA VAL 14 -12.086 8.217 11.794 953 HB VAL 14 HB VAL 14 -9.440 9.530 11.172 954 1HG1 VAL 14 1HG1 VAL 14 -10.994 11.214 11.618 955 2HG1 VAL 14 2HG1 VAL 14 -10.206 10.942 13.173 956 3HG1 VAL 14 3HG1 VAL 14 -11.804 10.264 12.863 957 1HG2 VAL 14 1HG2 VAL 14 -10.279 7.772 13.428 958 2HG2 VAL 14 2HG2 VAL 14 -9.188 9.119 13.753 959 3HG2 VAL 14 3HG2 VAL 14 -8.729 7.871 12.593 960 H ALA 15 H ALA 15 -12.907 10.293 11.029 961 HA ALA 15 HA ALA 15 -13.826 11.636 9.442 962 1HB ALA 15 1HB ALA 15 -12.428 12.549 7.852 963 2HB ALA 15 2HB ALA 15 -11.605 11.020 7.543 964 3HB ALA 15 3HB ALA 15 -11.268 11.920 9.022 965 H ASP 16 H ASP 16 -15.045 9.297 9.519 966 HA ASP 16 HA ASP 16 -15.041 7.697 7.224 967 1HB ASP 16 2HB ASP 16 -16.276 7.482 9.571 968 2HB ASP 16 1HB ASP 16 -17.614 8.171 8.657 969 H ASP 17 H ASP 17 -16.591 10.753 7.916 970 HA ASP 17 HA ASP 17 -18.486 10.851 5.880 971 1HB ASP 17 2HB ASP 17 -16.922 12.938 7.357 972 2HB ASP 17 1HB ASP 17 -17.930 13.414 5.993 973 H VAL 18 H VAL 18 -15.051 11.691 5.823 974 HA VAL 18 HA VAL 18 -15.127 12.443 3.032 975 HB VAL 18 HB VAL 18 -12.676 11.934 4.717 976 1HG1 VAL 18 1HG1 VAL 18 -11.511 13.246 3.145 977 2HG1 VAL 18 2HG1 VAL 18 -13.002 13.819 2.400 978 3HG1 VAL 18 3HG1 VAL 18 -12.504 12.140 2.196 979 1HG2 VAL 18 1HG2 VAL 18 -14.096 14.566 4.357 980 2HG2 VAL 18 2HG2 VAL 18 -12.682 14.238 5.359 981 3HG2 VAL 18 3HG2 VAL 18 -14.247 13.548 5.790 982 H SER 19 H SER 19 -14.285 9.652 4.955 983 HA SER 19 HA SER 19 -12.801 8.192 3.112 984 1HB SER 19 2HB SER 19 -13.113 7.602 5.516 985 2HB SER 19 1HB SER 19 -14.748 7.065 5.135 986 HG SER 19 HG SER 19 -12.340 6.020 4.050 987 H ASN 20 H ASN 20 -16.332 8.312 3.571 988 HA ASN 20 HA ASN 20 -16.868 6.344 1.595 989 1HB ASN 20 2HB ASN 20 -19.044 6.572 2.188 990 2HB ASN 20 1HB ASN 20 -18.367 7.463 3.540 991 1HD2 ASN 20 1HD2 ASN 20 -17.959 9.890 2.848 992 2HD2 ASN 20 2HD2 ASN 20 -19.338 10.655 2.144 993 H ILE 21 H ILE 21 -16.534 9.838 1.457 994 HA ILE 21 HA ILE 21 -17.573 10.333 -1.083 995 HB ILE 21 HB ILE 21 -15.250 11.684 0.326 996 1HG1 ILE 21 2HG1 ILE 21 -18.162 12.460 0.125 997 2HG1 ILE 21 1HG1 ILE 21 -17.390 11.750 1.536 998 1HG2 ILE 21 1HG2 ILE 21 -16.853 12.663 -2.037 999 2HG2 ILE 21 2HG2 ILE 21 -15.152 12.199 -2.048 1000 3HG2 ILE 21 3HG2 ILE 21 -15.674 13.613 -1.135 1001 1HD1 ILE 21 1HD1 ILE 21 -16.397 13.684 2.130 1002 2HD1 ILE 21 2HD1 ILE 21 -17.753 14.366 1.232 1003 3HD1 ILE 21 3HD1 ILE 21 -16.174 14.209 0.462 1004 H ILE 22 H ILE 22 -14.188 9.582 -0.197 1005 HA ILE 22 HA ILE 22 -13.271 9.609 -2.848 1006 HB ILE 22 HB ILE 22 -11.207 8.829 -2.114 1007 1HG1 ILE 22 2HG1 ILE 22 -11.015 7.812 0.292 1008 2HG1 ILE 22 1HG1 ILE 22 -12.704 7.397 0.059 1009 1HG2 ILE 22 1HG2 ILE 22 -12.558 10.786 -0.625 1010 2HG2 ILE 22 2HG2 ILE 22 -10.823 10.607 -0.869 1011 3HG2 ILE 22 3HG2 ILE 22 -11.598 9.858 0.526 1012 1HD1 ILE 22 1HD1 ILE 22 -10.469 5.958 -0.763 1013 2HD1 ILE 22 2HD1 ILE 22 -11.152 6.641 -2.238 1014 3HD1 ILE 22 3HD1 ILE 22 -12.151 5.644 -1.183 1015 H LYS 23 H LYS 23 -14.279 6.826 -0.831 1016 HA LYS 23 HA LYS 23 -13.701 4.854 -2.693 1017 1HB LYS 23 2HB LYS 23 -15.830 4.980 -0.579 1018 2HB LYS 23 1HB LYS 23 -15.436 3.520 -1.475 1019 1HG LYS 23 2HG LYS 23 -13.211 3.517 -0.605 1020 2HG LYS 23 1HG LYS 23 -13.470 5.077 0.172 1021 1HD LYS 23 2HD LYS 23 -14.731 2.425 0.862 1022 2HD LYS 23 1HD LYS 23 -13.655 3.409 1.837 1023 1HE LYS 23 2HE LYS 23 -15.377 5.139 2.001 1024 2HE LYS 23 1HE LYS 23 -16.470 4.126 1.061 1025 1HZ LYS 23 1HZ LYS 23 -15.280 3.343 3.665 1026 2HZ LYS 23 2HZ LYS 23 -16.450 2.491 2.790 1027 3HZ LYS 23 3HZ LYS 23 -16.834 3.987 3.479 1028 H GLU 24 H GLU 24 -16.760 6.451 -2.011 1029 HA GLU 24 HA GLU 24 -18.333 5.333 -4.009 1030 1HB GLU 24 2HB GLU 24 -18.388 7.805 -2.414 1031 2HB GLU 24 1HB GLU 24 -19.224 7.948 -3.943 1032 1HG GLU 24 2HG GLU 24 -20.899 7.259 -2.527 1033 2HG GLU 24 1HG GLU 24 -20.372 5.736 -3.244 1034 H SER 25 H SER 25 -15.939 7.876 -4.201 1035 HA SER 25 HA SER 25 -16.536 8.656 -6.881 1036 1HB SER 25 2HB SER 25 -15.334 10.078 -5.168 1037 2HB SER 25 1HB SER 25 -13.921 9.051 -5.410 1038 HG SER 25 HG SER 25 -15.227 10.366 -7.547 1039 H ILE 26 H ILE 26 -14.023 6.503 -5.448 1040 HA ILE 26 HA ILE 26 -12.732 5.916 -7.883 1041 HB ILE 26 HB ILE 26 -12.851 4.559 -5.226 1042 1HG1 ILE 26 2HG1 ILE 26 -10.274 4.557 -5.918 1043 2HG1 ILE 26 1HG1 ILE 26 -10.841 5.824 -7.001 1044 1HG2 ILE 26 1HG2 ILE 26 -11.193 2.817 -6.357 1045 2HG2 ILE 26 2HG2 ILE 26 -12.231 3.112 -7.751 1046 3HG2 ILE 26 3HG2 ILE 26 -12.927 2.510 -6.246 1047 1HD1 ILE 26 1HD1 ILE 26 -10.099 6.907 -5.066 1048 2HD1 ILE 26 2HD1 ILE 26 -10.924 5.759 -4.012 1049 3HD1 ILE 26 3HD1 ILE 26 -11.853 6.906 -4.966 1050 H ASP 27 H ASP 27 -15.522 4.502 -6.297 1051 HA ASP 27 HA ASP 27 -15.994 2.297 -7.886 1052 1HB ASP 27 2HB ASP 27 -17.318 2.776 -5.904 1053 2HB ASP 27 1HB ASP 27 -17.935 4.249 -6.628 1054 H ALA 28 H ALA 28 -16.700 5.688 -8.475 1055 HA ALA 28 HA ALA 28 -17.918 5.128 -11.064 1056 1HB ALA 28 1HB ALA 28 -18.762 7.248 -10.974 1057 2HB ALA 28 2HB ALA 28 -17.333 7.903 -10.174 1058 3HB ALA 28 3HB ALA 28 -18.516 6.978 -9.248 1059 H VAL 29 H VAL 29 -15.086 6.772 -9.756 1060 HA VAL 29 HA VAL 29 -14.009 7.646 -12.195 1061 HB VAL 29 HB VAL 29 -13.208 7.557 -9.350 1062 1HG1 VAL 29 1HG1 VAL 29 -10.970 8.700 -10.238 1063 2HG1 VAL 29 2HG1 VAL 29 -11.127 7.411 -11.415 1064 3HG1 VAL 29 3HG1 VAL 29 -11.061 7.037 -9.693 1065 1HG2 VAL 29 1HG2 VAL 29 -12.429 9.914 -10.774 1066 2HG2 VAL 29 2HG2 VAL 29 -13.632 9.707 -9.504 1067 3HG2 VAL 29 3HG2 VAL 29 -14.081 9.460 -11.187 1068 H LEU 30 H LEU 30 -14.238 4.499 -10.936 1069 HA LEU 30 HA LEU 30 -12.084 3.641 -12.738 1070 1HB LEU 30 2HB LEU 30 -12.807 2.587 -10.027 1071 2HB LEU 30 1HB LEU 30 -11.973 1.582 -11.195 1072 HG LEU 30 HG LEU 30 -10.344 2.560 -9.708 1073 1HD1 LEU 30 1HD1 LEU 30 -8.870 3.517 -11.273 1074 2HD1 LEU 30 2HD1 LEU 30 -10.199 4.144 -12.244 1075 3HD1 LEU 30 3HD1 LEU 30 -9.887 2.411 -12.198 1076 1HD2 LEU 30 1HD2 LEU 30 -10.938 5.310 -10.614 1077 2HD2 LEU 30 2HD2 LEU 30 -10.241 4.746 -9.097 1078 3HD2 LEU 30 3HD2 LEU 30 -11.976 4.616 -9.374 1079 H GLN 31 H GLN 31 -15.378 2.998 -11.556 1080 HA GLN 31 HA GLN 31 -15.586 0.648 -13.246 1081 1HB GLN 31 2HB GLN 31 -16.753 0.953 -10.997 1082 2HB GLN 31 1HB GLN 31 -17.872 1.990 -11.858 1083 1HG GLN 31 2HG GLN 31 -18.549 0.229 -13.277 1084 2HG GLN 31 1HG GLN 31 -17.310 -0.825 -12.618 1085 1HE2 GLN 31 1HE2 GLN 31 -20.506 -0.080 -12.509 1086 2HE2 GLN 31 2HE2 GLN 31 -20.904 -0.736 -10.960 1087 H ASN 32 H ASN 32 -16.223 4.043 -13.601 1088 HA ASN 32 HA ASN 32 -18.321 4.024 -15.409 1089 1HB ASN 32 2HB ASN 32 -17.637 6.189 -16.122 1090 2HB ASN 32 1HB ASN 32 -17.224 6.062 -14.421 1091 1HD2 ASN 32 1HD2 ASN 32 -14.961 5.544 -13.915 1092 2HD2 ASN 32 2HD2 ASN 32 -13.725 6.138 -14.965 1093 H GLN 33 H GLN 33 -15.082 2.914 -15.912 1094 HA GLN 33 HA GLN 33 -15.800 2.170 -18.647 1095 1HB GLN 33 2HB GLN 33 -14.214 4.352 -18.223 1096 2HB GLN 33 1HB GLN 33 -13.009 3.081 -18.343 1097 1HG GLN 33 2HG GLN 33 -13.497 4.250 -20.476 1098 2HG GLN 33 1HG GLN 33 -13.724 2.506 -20.543 1099 1HE2 GLN 33 1HE2 GLN 33 -15.335 5.602 -20.418 1100 2HE2 GLN 33 2HE2 GLN 33 -16.861 5.052 -21.013 1101 H GLN 34 H GLN 34 -13.593 0.900 -19.486 1102 HA GLN 34 HA GLN 34 -13.497 -1.400 -17.762 1103 1HB GLN 34 2HB GLN 34 -13.425 -1.110 -20.452 1104 2HB GLN 34 1HB GLN 34 -11.710 -1.287 -20.115 1105 1HG GLN 34 2HG GLN 34 -12.102 -3.474 -20.244 1106 2HG GLN 34 1HG GLN 34 -12.785 -3.303 -18.628 1107 1HE2 GLN 34 1HE2 GLN 34 -14.770 -4.016 -18.352 1108 2HE2 GLN 34 2HE2 GLN 34 -15.941 -4.276 -19.595 1109 H TYR 35 H TYR 35 -11.141 -2.504 -17.806 1110 HA TYR 35 HA TYR 35 -9.513 -0.732 -16.187 1111 1HB TYR 35 2HB TYR 35 -9.923 -2.981 -15.366 1112 2HB TYR 35 1HB TYR 35 -9.255 -3.675 -16.838 1113 HD1 TYR 35 1HD TYR 35 -8.451 -1.976 -13.677 1114 HD2 TYR 35 2HD TYR 35 -6.871 -3.823 -17.170 1115 HE1 TYR 35 1HE TYR 35 -6.230 -2.057 -12.624 1116 HE2 TYR 35 2HE TYR 35 -4.645 -3.909 -16.126 1117 HH TYR 35 HH TYR 35 -3.733 -3.937 -13.741 1118 H SER 36 H SER 36 -8.110 0.554 -17.152 1119 HA SER 36 HA SER 36 -6.367 -0.554 -19.242 1120 1HB SER 36 2HB SER 36 -8.136 1.812 -19.406 1121 2HB SER 36 1HB SER 36 -6.489 2.064 -19.984 1122 HG SER 36 HG SER 36 -8.437 0.962 -21.300 1123 H GLU 37 H GLU 37 -4.233 -0.219 -18.830 1124 HA GLU 37 HA GLU 37 -3.375 0.828 -16.393 1125 1HB GLU 37 2HB GLU 37 -2.037 -0.730 -17.760 1126 2HB GLU 37 1HB GLU 37 -1.734 0.565 -18.912 1127 1HG GLU 37 2HG GLU 37 0.013 1.209 -17.724 1128 2HG GLU 37 1HG GLU 37 -1.041 1.547 -16.360 1129 H ALA 38 H ALA 38 -3.559 2.368 -19.571 1130 HA ALA 38 HA ALA 38 -2.233 4.754 -18.974 1131 1HB ALA 38 1HB ALA 38 -3.099 3.925 -21.221 1132 2HB ALA 38 2HB ALA 38 -3.245 5.652 -20.895 1133 3HB ALA 38 3HB ALA 38 -4.654 4.603 -20.743 1134 H LYS 39 H LYS 39 -5.410 3.619 -18.172 1135 HA LYS 39 HA LYS 39 -6.258 6.203 -17.128 1136 1HB LYS 39 2HB LYS 39 -7.528 3.778 -18.114 1137 2HB LYS 39 1HB LYS 39 -8.225 4.305 -16.597 1138 1HG LYS 39 2HG LYS 39 -9.442 5.231 -18.461 1139 2HG LYS 39 1HG LYS 39 -8.638 6.515 -17.557 1140 1HD LYS 39 2HD LYS 39 -8.200 7.065 -19.768 1141 2HD LYS 39 1HD LYS 39 -6.738 6.215 -19.267 1142 1HE LYS 39 2HE LYS 39 -7.250 4.333 -20.501 1143 2HE LYS 39 1HE LYS 39 -8.977 4.687 -20.514 1144 1HZ LYS 39 1HZ LYS 39 -8.482 5.296 -22.618 1145 2HZ LYS 39 2HZ LYS 39 -6.868 5.661 -22.273 1146 3HZ LYS 39 3HZ LYS 39 -8.087 6.763 -21.874 1147 H VAL 40 H VAL 40 -4.932 3.199 -16.053 1148 HA VAL 40 HA VAL 40 -5.896 2.884 -13.502 1149 HB VAL 40 HB VAL 40 -3.295 2.230 -14.823 1150 1HG1 VAL 40 1HG1 VAL 40 -2.232 2.496 -12.827 1151 2HG1 VAL 40 2HG1 VAL 40 -2.852 0.860 -12.616 1152 3HG1 VAL 40 3HG1 VAL 40 -3.696 2.224 -11.882 1153 1HG2 VAL 40 1HG2 VAL 40 -5.568 0.681 -13.633 1154 2HG2 VAL 40 2HG2 VAL 40 -4.058 -0.080 -14.135 1155 3HG2 VAL 40 3HG2 VAL 40 -5.056 0.763 -15.318 1156 H SER 41 H SER 41 -3.792 5.397 -14.668 1157 HA SER 41 HA SER 41 -3.378 6.321 -11.900 1158 1HB SER 41 2HB SER 41 -1.374 5.832 -13.499 1159 2HB SER 41 1HB SER 41 -1.810 7.375 -14.233 1160 HG SER 41 HG SER 41 -0.757 8.258 -12.659 1161 H GLN 42 H GLN 42 -4.620 7.172 -15.039 1162 HA GLN 42 HA GLN 42 -4.992 9.941 -14.421 1163 1HB GLN 42 2HB GLN 42 -5.985 8.146 -16.625 1164 2HB GLN 42 1HB GLN 42 -6.544 9.805 -16.470 1165 1HG GLN 42 2HG GLN 42 -3.662 8.994 -16.753 1166 2HG GLN 42 1HG GLN 42 -4.694 9.523 -18.081 1167 1HE2 GLN 42 1HE2 GLN 42 -3.036 10.488 -15.176 1168 2HE2 GLN 42 2HE2 GLN 42 -3.117 12.191 -15.456 1169 H TRP 43 H TRP 43 -6.913 7.025 -14.084 1170 HA TRP 43 HA TRP 43 -9.405 8.231 -13.692 1171 1HB TRP 43 2HB TRP 43 -8.213 5.651 -12.782 1172 2HB TRP 43 1HB TRP 43 -9.759 6.162 -12.120 1173 HD1 TRP 43 HD TRP 43 -8.975 3.685 -14.191 1174 HE1 TRP 43 1HE TRP 43 -10.453 3.411 -16.251 1175 HE3 TRP 43 3HE TRP 43 -11.120 8.353 -14.350 1176 HZ2 TRP 43 2HZ TRP 43 -12.271 4.921 -17.767 1177 HZ3 TRP 43 3HZ TRP 43 -12.713 8.835 -16.147 1178 HH2 TRP 43 HH TRP 43 -13.284 7.155 -17.819 1179 H THR 44 H THR 44 -7.049 7.154 -11.266 1180 HA THR 44 HA THR 44 -8.359 8.162 -9.039 1181 HB THR 44 HB THR 44 -6.234 6.664 -9.287 1182 HG1 THR 44 1HG THR 44 -6.056 6.799 -7.167 1183 1HG2 THR 44 1HG2 THR 44 -4.973 9.357 -8.946 1184 2HG2 THR 44 2HG2 THR 44 -4.610 8.122 -10.149 1185 3HG2 THR 44 3HG2 THR 44 -4.203 7.850 -8.455 1186 H SER 45 H SER 45 -6.689 9.843 -11.524 1187 HA SER 45 HA SER 45 -6.197 12.258 -10.074 1188 1HB SER 45 2HB SER 45 -5.280 13.033 -12.038 1189 2HB SER 45 1HB SER 45 -5.262 11.320 -12.420 1190 HG SER 45 HG SER 45 -6.586 11.727 -13.987 1191 H SER 46 H SER 46 -8.714 10.924 -12.115 1192 HA SER 46 HA SER 46 -10.411 13.221 -12.084 1193 1HB SER 46 2HB SER 46 -10.596 10.418 -13.029 1194 2HB SER 46 1HB SER 46 -12.123 11.184 -12.594 1195 HG SER 46 HG SER 46 -11.589 11.529 -14.790 1196 H CYS 47 H CYS 47 -9.932 10.396 -10.081 1197 HA CYS 47 HA CYS 47 -12.266 10.675 -8.501 1198 1HB CYS 47 2HB CYS 47 -10.142 8.867 -8.601 1199 2HB CYS 47 1HB CYS 47 -9.974 9.639 -7.044 1200 HG CYS 47 HG CYS 47 -12.767 8.563 -7.616 1201 H LEU 48 H LEU 48 -9.019 11.962 -8.374 1202 HA LEU 48 HA LEU 48 -9.237 13.221 -5.872 1203 1HB LEU 48 2HB LEU 48 -7.365 13.230 -8.132 1204 2HB LEU 48 1HB LEU 48 -7.452 14.765 -7.292 1205 HG LEU 48 HG LEU 48 -6.479 13.947 -5.400 1206 1HD1 LEU 48 1HD1 LEU 48 -7.580 11.248 -6.112 1207 2HD1 LEU 48 2HD1 LEU 48 -7.995 12.266 -4.738 1208 3HD1 LEU 48 3HD1 LEU 48 -6.417 11.496 -4.811 1209 1HD2 LEU 48 1HD2 LEU 48 -4.851 13.733 -7.173 1210 2HD2 LEU 48 2HD2 LEU 48 -5.437 12.111 -7.544 1211 3HD2 LEU 48 3HD2 LEU 48 -4.633 12.427 -6.008 1212 H GLU 49 H GLU 49 -10.119 14.192 -9.133 1213 HA GLU 49 HA GLU 49 -10.844 16.832 -8.230 1214 1HB GLU 49 2HB GLU 49 -10.157 16.269 -10.627 1215 2HB GLU 49 1HB GLU 49 -11.794 15.634 -10.810 1216 1HG GLU 49 2HG GLU 49 -12.502 17.912 -9.808 1217 2HG GLU 49 1HG GLU 49 -10.905 18.439 -10.309 1218 H HIS 50 H HIS 50 -12.367 13.737 -8.716 1219 HA HIS 50 HA HIS 50 -15.029 14.762 -8.222 1220 1HB HIS 50 2HB HIS 50 -13.905 11.992 -8.629 1221 2HB HIS 50 1HB HIS 50 -15.583 12.259 -8.167 1222 HD1 HIS 50 1HD HIS 50 -16.827 14.065 -9.928 1223 HD2 HIS 50 2HD HIS 50 -13.601 11.836 -11.302 1224 HE1 HIS 50 1HE HIS 50 -17.006 14.100 -12.435 1225 HE2 HIS 50 2HE HIS 50 -14.988 12.826 -13.246 1226 H CYS 51 H CYS 51 -12.454 14.389 -6.256 1227 HA CYS 51 HA CYS 51 -14.000 13.418 -3.957 1228 1HB CYS 51 2HB CYS 51 -11.780 12.263 -4.471 1229 2HB CYS 51 1HB CYS 51 -10.994 13.810 -4.179 1230 HG CYS 51 HG CYS 51 -11.610 13.641 -1.693 1231 H ILE 52 H ILE 52 -11.715 15.804 -5.126 1232 HA ILE 52 HA ILE 52 -11.825 17.574 -2.960 1233 HB ILE 52 HB ILE 52 -10.086 17.470 -4.767 1234 1HG1 ILE 52 2HG1 ILE 52 -10.184 19.351 -3.225 1235 2HG1 ILE 52 1HG1 ILE 52 -9.597 19.821 -4.817 1236 1HG2 ILE 52 1HG2 ILE 52 -10.355 18.442 -6.865 1237 2HG2 ILE 52 2HG2 ILE 52 -11.890 19.180 -6.412 1238 3HG2 ILE 52 3HG2 ILE 52 -11.780 17.435 -6.630 1239 1HD1 ILE 52 1HD1 ILE 52 -11.030 21.497 -4.548 1240 2HD1 ILE 52 2HD1 ILE 52 -12.018 20.611 -3.385 1241 3HD1 ILE 52 3HD1 ILE 52 -12.197 20.305 -5.109 1242 H LYS 53 H LYS 53 -13.607 17.502 -6.055 1243 HA LYS 53 HA LYS 53 -15.076 19.849 -5.731 1244 1HB LYS 53 2HB LYS 53 -15.351 17.385 -7.357 1245 2HB LYS 53 1HB LYS 53 -16.803 18.350 -7.160 1246 1HG LYS 53 2HG LYS 53 -15.492 18.854 -9.214 1247 2HG LYS 53 1HG LYS 53 -15.777 20.244 -8.177 1248 1HD LYS 53 2HD LYS 53 -13.290 18.770 -7.669 1249 2HD LYS 53 1HD LYS 53 -13.377 19.608 -9.215 1250 1HE LYS 53 2HE LYS 53 -14.202 21.615 -7.775 1251 2HE LYS 53 1HE LYS 53 -13.476 20.730 -6.447 1252 1HZ LYS 53 1HZ LYS 53 -11.710 21.970 -7.107 1253 2HZ LYS 53 2HZ LYS 53 -12.192 22.025 -8.728 1254 3HZ LYS 53 3HZ LYS 53 -11.467 20.627 -8.109 1255 H ARG 54 H ARG 54 -15.605 16.637 -4.450 1256 HA ARG 54 HA ARG 54 -18.274 17.148 -3.543 1257 1HB ARG 54 2HB ARG 54 -16.581 14.905 -3.760 1258 2HB ARG 54 1HB ARG 54 -16.948 15.058 -2.048 1259 1HG ARG 54 2HG ARG 54 -19.221 15.298 -3.920 1260 2HG ARG 54 1HG ARG 54 -18.482 13.705 -3.758 1261 1HD ARG 54 2HD ARG 54 -18.758 14.739 -1.149 1262 2HD ARG 54 1HD ARG 54 -20.275 15.060 -1.984 1263 HE ARG 54 HE ARG 54 -19.498 12.409 -2.479 1264 1HH1 ARG 54 1HH1 ARG 54 -20.679 14.407 0.138 1265 2HH1 ARG 54 2HH1 ARG 54 -21.455 13.090 0.951 1266 1HH2 ARG 54 1HH2 ARG 54 -20.522 10.686 -1.405 1267 2HH2 ARG 54 2HH2 ARG 54 -21.365 10.981 0.078 1268 H LEU 55 H LEU 55 -15.079 17.099 -2.053 1269 HA LEU 55 HA LEU 55 -15.856 17.614 0.578 1270 1HB LEU 55 2HB LEU 55 -13.319 18.290 -0.902 1271 2HB LEU 55 1HB LEU 55 -13.513 18.485 0.833 1272 HG LEU 55 HG LEU 55 -13.820 15.865 -0.625 1273 1HD1 LEU 55 1HD1 LEU 55 -11.455 17.195 -0.185 1274 2HD1 LEU 55 2HD1 LEU 55 -11.646 15.462 -0.445 1275 3HD1 LEU 55 3HD1 LEU 55 -11.576 16.103 1.195 1276 1HD2 LEU 55 1HD2 LEU 55 -13.255 15.780 2.207 1277 2HD2 LEU 55 2HD2 LEU 55 -14.529 14.990 1.279 1278 3HD2 LEU 55 3HD2 LEU 55 -14.754 16.638 1.859 1279 H THR 56 H THR 56 -15.529 19.723 -2.162 1280 HA THR 56 HA THR 56 -15.529 22.166 -0.682 1281 HB THR 56 HB THR 56 -15.660 23.260 -2.756 1282 HG1 THR 56 1HG THR 56 -16.963 22.641 -4.273 1283 1HG2 THR 56 1HG2 THR 56 -14.605 20.961 -4.150 1284 2HG2 THR 56 2HG2 THR 56 -13.881 21.159 -2.555 1285 3HG2 THR 56 3HG2 THR 56 -13.824 22.481 -3.722 1286 H ALA 57 H ALA 57 -17.947 20.046 -2.065 1287 HA ALA 57 HA ALA 57 -20.181 21.757 -1.755 1288 1HB ALA 57 1HB ALA 57 -21.433 19.997 -2.489 1289 2HB ALA 57 2HB ALA 57 -20.541 18.819 -1.527 1290 3HB ALA 57 3HB ALA 57 -19.847 19.440 -3.025 1291 H LEU 58 H LEU 58 -18.658 19.314 0.303 1292 HA LEU 58 HA LEU 58 -20.586 19.568 2.406 1293 1HB LEU 58 2HB LEU 58 -18.146 18.033 1.865 1294 2HB LEU 58 1HB LEU 58 -18.348 18.460 3.549 1295 HG LEU 58 HG LEU 58 -19.287 16.289 3.219 1296 1HD1 LEU 58 1HD1 LEU 58 -21.388 16.588 4.164 1297 2HD1 LEU 58 2HD1 LEU 58 -21.697 18.067 3.253 1298 3HD1 LEU 58 3HD1 LEU 58 -20.537 18.076 4.583 1299 1HD2 LEU 58 1HD2 LEU 58 -21.066 15.854 1.606 1300 2HD2 LEU 58 2HD2 LEU 58 -19.601 16.413 0.798 1301 3HD2 LEU 58 3HD2 LEU 58 -20.958 17.516 1.027 1302 H ASN 59 H ASN 59 -17.369 20.836 1.736 1303 HA ASN 59 HA ASN 59 -16.039 22.356 2.800 1304 1HB ASN 59 2HB ASN 59 -17.124 24.523 3.151 1305 2HB ASN 59 1HB ASN 59 -17.653 23.783 1.644 1306 1HD2 ASN 59 1HD2 ASN 59 -19.748 22.902 1.525 1307 2HD2 ASN 59 2HD2 ASN 59 -20.991 23.404 2.614 1308 H LYS 60 H LYS 60 -15.884 20.647 4.592 1309 HA LYS 60 HA LYS 60 -15.847 21.975 7.067 1310 1HB LYS 60 2HB LYS 60 -18.341 21.499 6.779 1311 2HB LYS 60 1HB LYS 60 -17.934 19.802 6.999 1312 1HG LYS 60 2HG LYS 60 -16.871 20.465 9.188 1313 2HG LYS 60 1HG LYS 60 -17.618 22.048 8.968 1314 1HD LYS 60 2HD LYS 60 -19.688 21.280 9.443 1315 2HD LYS 60 1HD LYS 60 -19.416 19.741 8.621 1316 1HE LYS 60 2HE LYS 60 -19.719 19.383 11.002 1317 2HE LYS 60 1HE LYS 60 -18.072 18.976 10.526 1318 1HZ LYS 60 1HZ LYS 60 -17.731 21.503 11.211 1319 2HZ LYS 60 2HZ LYS 60 -17.606 20.235 12.324 1320 3HZ LYS 60 3HZ LYS 60 -19.034 21.135 12.226 1321 HA PRO 61 HA PRO 61 -14.030 22.226 7.784 1322 1HB PRO 61 2HB PRO 61 -11.376 22.027 7.505 1323 2HB PRO 61 1HB PRO 61 -12.196 21.494 8.975 1324 1HG PRO 61 2HG PRO 61 -11.231 19.868 6.649 1325 2HG PRO 61 1HG PRO 61 -11.065 19.541 8.385 1326 1HD PRO 61 2HD PRO 61 -12.974 18.375 6.844 1327 2HD PRO 61 1HD PRO 61 -13.210 18.728 8.565 1328 H PHE 62 H PHE 62 -12.106 23.558 6.478 1329 HA PHE 62 HA PHE 62 -13.042 23.490 3.719 1330 1HB PHE 62 2HB PHE 62 -11.586 25.518 5.392 1331 2HB PHE 62 1HB PHE 62 -11.622 25.665 3.637 1332 HD1 PHE 62 1HD PHE 62 -13.896 25.223 6.552 1333 HD2 PHE 62 2HD PHE 62 -13.361 26.797 2.635 1334 HE1 PHE 62 1HE PHE 62 -16.095 26.318 6.696 1335 HE2 PHE 62 2HE PHE 62 -15.558 27.897 2.772 1336 HZ PHE 62 HZ PHE 62 -16.928 27.657 4.804 1337 H LYS 63 H LYS 63 -9.867 23.924 5.305 1338 HA LYS 63 HA LYS 63 -8.298 23.455 3.054 1339 1HB LYS 63 2HB LYS 63 -7.805 23.192 6.001 1340 2HB LYS 63 1HB LYS 63 -6.567 22.698 4.854 1341 1HG LYS 63 2HG LYS 63 -7.070 25.106 3.862 1342 2HG LYS 63 1HG LYS 63 -7.563 25.403 5.529 1343 1HD LYS 63 2HD LYS 63 -5.415 24.827 6.358 1344 2HD LYS 63 1HD LYS 63 -4.917 24.165 4.801 1345 1HE LYS 63 2HE LYS 63 -3.997 26.444 5.381 1346 2HE LYS 63 1HE LYS 63 -4.800 26.309 3.817 1347 1HZ LYS 63 1HZ LYS 63 -6.455 27.115 6.076 1348 2HZ LYS 63 2HZ LYS 63 -6.490 27.638 4.468 1349 3HZ LYS 63 3HZ LYS 63 -5.322 28.247 5.530 1350 H TYR 64 H TYR 64 -8.951 21.702 1.831 1351 HA TYR 64 HA TYR 64 -8.557 19.063 3.086 1352 1HB TYR 64 2HB TYR 64 -10.782 20.132 1.520 1353 2HB TYR 64 1HB TYR 64 -10.179 18.607 0.884 1354 HD1 TYR 64 1HD TYR 64 -12.453 20.044 3.092 1355 HD2 TYR 64 2HD TYR 64 -9.764 16.764 2.779 1356 HE1 TYR 64 1HE TYR 64 -13.741 18.834 4.800 1357 HE2 TYR 64 2HE TYR 64 -11.045 15.544 4.488 1358 HH TYR 64 HH TYR 64 -14.105 16.361 5.423 1359 H VAL 65 H VAL 65 -6.989 17.857 2.221 1360 HA VAL 65 HA VAL 65 -6.048 18.539 -0.481 1361 HB VAL 65 HB VAL 65 -4.249 16.741 0.918 1362 1HG1 VAL 65 1HG1 VAL 65 -4.023 18.308 -1.172 1363 2HG1 VAL 65 2HG1 VAL 65 -2.637 17.877 -0.169 1364 3HG1 VAL 65 3HG1 VAL 65 -3.431 19.437 0.047 1365 1HG2 VAL 65 1HG2 VAL 65 -4.198 19.477 2.077 1366 2HG2 VAL 65 2HG2 VAL 65 -3.422 18.000 2.645 1367 3HG2 VAL 65 3HG2 VAL 65 -5.161 18.206 2.822 1368 H VAL 66 H VAL 66 -5.757 16.853 -1.976 1369 HA VAL 66 HA VAL 66 -6.767 14.235 -1.101 1370 HB VAL 66 HB VAL 66 -7.498 15.121 -3.844 1371 1HG1 VAL 66 1HG1 VAL 66 -9.220 13.638 -1.913 1372 2HG1 VAL 66 2HG1 VAL 66 -7.844 12.830 -2.662 1373 3HG1 VAL 66 3HG1 VAL 66 -9.124 13.503 -3.668 1374 1HG2 VAL 66 1HG2 VAL 66 -9.531 16.198 -3.139 1375 2HG2 VAL 66 2HG2 VAL 66 -8.169 17.025 -2.381 1376 3HG2 VAL 66 3HG2 VAL 66 -9.152 15.901 -1.442 1377 H THR 67 H THR 67 -4.989 12.996 -1.263 1378 HA THR 67 HA THR 67 -3.682 12.963 -3.907 1379 HB THR 67 HB THR 67 -2.074 13.961 -2.455 1380 HG1 THR 67 1HG THR 67 -1.228 12.377 -3.837 1381 1HG2 THR 67 1HG2 THR 67 -3.247 12.551 -0.431 1382 2HG2 THR 67 2HG2 THR 67 -1.749 13.474 -0.321 1383 3HG2 THR 67 3HG2 THR 67 -1.695 11.740 -0.640 1384 H CYS 68 H CYS 68 -2.819 10.984 -4.611 1385 HA CYS 68 HA CYS 68 -3.510 8.585 -3.144 1386 1HB CYS 68 2HB CYS 68 -4.728 7.702 -5.219 1387 2HB CYS 68 1HB CYS 68 -5.600 8.836 -4.202 1388 HG CYS 68 HG CYS 68 -6.001 9.762 -6.486 1389 H ILE 69 H ILE 69 -2.594 6.691 -4.035 1390 HA ILE 69 HA ILE 69 -0.549 7.116 -6.101 1391 HB ILE 69 HB ILE 69 -0.203 5.685 -3.465 1392 1HG1 ILE 69 2HG1 ILE 69 1.837 7.385 -3.536 1393 2HG1 ILE 69 1HG1 ILE 69 0.742 8.267 -4.596 1394 1HG2 ILE 69 1HG2 ILE 69 1.734 5.845 -5.768 1395 2HG2 ILE 69 2HG2 ILE 69 0.890 4.398 -5.216 1396 3HG2 ILE 69 3HG2 ILE 69 2.083 5.175 -4.175 1397 1HD1 ILE 69 1HD1 ILE 69 -0.873 7.610 -2.488 1398 2HD1 ILE 69 2HD1 ILE 69 -0.062 9.159 -2.725 1399 3HD1 ILE 69 3HD1 ILE 69 0.680 7.920 -1.712 1400 H ILE 70 H ILE 70 -0.276 5.411 -7.527 1401 HA ILE 70 HA ILE 70 -2.242 3.243 -7.264 1402 HB ILE 70 HB ILE 70 -1.971 2.905 -9.685 1403 1HG1 ILE 70 2HG1 ILE 70 -0.292 5.419 -9.627 1404 2HG1 ILE 70 1HG1 ILE 70 0.369 3.797 -9.805 1405 1HG2 ILE 70 1HG2 ILE 70 -3.019 5.082 -10.383 1406 2HG2 ILE 70 2HG2 ILE 70 -2.719 5.662 -8.745 1407 3HG2 ILE 70 3HG2 ILE 70 -3.780 4.278 -9.010 1408 1HD1 ILE 70 1HD1 ILE 70 -1.753 4.436 -11.708 1409 2HD1 ILE 70 2HD1 ILE 70 -0.175 3.690 -11.965 1410 3HD1 ILE 70 3HD1 ILE 70 -0.312 5.444 -11.851 1411 H MET 71 H MET 71 -1.659 1.161 -7.188 1412 HA MET 71 HA MET 71 1.211 0.534 -7.428 1413 1HB MET 71 2HB MET 71 -0.060 0.403 -5.119 1414 2HB MET 71 1HB MET 71 -0.625 -1.133 -5.760 1415 1HG MET 71 2HG MET 71 2.111 -1.148 -6.234 1416 2HG MET 71 1HG MET 71 1.941 -0.423 -4.637 1417 1HE MET 71 1HE MET 71 0.760 -3.294 -6.913 1418 2HE MET 71 2HE MET 71 -0.719 -3.112 -5.971 1419 3HE MET 71 3HE MET 71 0.272 -4.560 -5.787 1420 H GLN 72 H GLN 72 1.472 -0.435 -9.337 1421 HA GLN 72 HA GLN 72 -0.592 -2.139 -10.446 1422 1HB GLN 72 2HB GLN 72 1.158 -0.457 -11.612 1423 2HB GLN 72 1HB GLN 72 2.058 -1.961 -11.760 1424 1HG GLN 72 2HG GLN 72 0.914 -2.174 -13.668 1425 2HG GLN 72 1HG GLN 72 -0.373 -2.759 -12.614 1426 1HE2 GLN 72 1HE2 GLN 72 0.902 0.465 -13.371 1427 2HE2 GLN 72 2HE2 GLN 72 -0.618 1.145 -13.833 1428 H LYS 73 H LYS 73 -0.285 -4.312 -11.070 1429 HA LYS 73 HA LYS 73 0.340 -6.475 -10.777 1430 1HB LYS 73 2HB LYS 73 2.606 -5.264 -11.464 1431 2HB LYS 73 1HB LYS 73 3.060 -5.715 -9.827 1432 1HG LYS 73 2HG LYS 73 1.866 -7.800 -11.569 1433 2HG LYS 73 1HG LYS 73 3.527 -7.294 -11.883 1434 1HD LYS 73 2HD LYS 73 4.174 -7.855 -9.631 1435 2HD LYS 73 1HD LYS 73 2.499 -8.207 -9.197 1436 1HE LYS 73 2HE LYS 73 3.074 -10.331 -9.653 1437 2HE LYS 73 1HE LYS 73 2.834 -9.844 -11.330 1438 1HZ LYS 73 1HZ LYS 73 4.934 -10.945 -11.117 1439 2HZ LYS 73 2HZ LYS 73 5.412 -9.921 -9.859 1440 3HZ LYS 73 3HZ LYS 73 5.224 -9.307 -11.425 1441 H ASN 74 H ASN 74 0.249 -7.996 -9.181 1442 HA ASN 74 HA ASN 74 0.029 -6.971 -6.464 1443 1HB ASN 74 2HB ASN 74 -0.877 -9.282 -5.992 1444 2HB ASN 74 1HB ASN 74 -1.809 -8.336 -7.147 1445 1HD2 ASN 74 1HD2 ASN 74 -2.427 -10.786 -7.347 1446 2HD2 ASN 74 2HD2 ASN 74 -1.638 -11.611 -8.644 1447 H GLY 75 H GLY 75 1.997 -6.785 -5.536 1448 1HA GLY 75 2HA GLY 75 3.334 -8.695 -4.264 1449 2HA GLY 75 1HA GLY 75 3.977 -8.896 -5.886 1450 H ALA 76 H ALA 76 3.765 -5.978 -6.407 1451 HA ALA 76 HA ALA 76 6.374 -5.263 -5.546 1452 1HB ALA 76 1HB ALA 76 5.705 -4.381 -7.615 1453 2HB ALA 76 2HB ALA 76 5.716 -2.999 -6.520 1454 3HB ALA 76 3HB ALA 76 4.189 -3.764 -6.959 1455 H GLY 77 H GLY 77 6.983 -4.435 -3.661 1456 1HA GLY 77 2HA GLY 77 5.105 -3.727 -1.643 1457 2HA GLY 77 1HA GLY 77 6.849 -3.535 -1.547 1458 H LEU 78 H LEU 78 4.595 -1.747 -0.751 1459 HA LEU 78 HA LEU 78 5.602 0.647 -2.110 1460 1HB LEU 78 2HB LEU 78 3.492 0.066 -3.197 1461 2HB LEU 78 1HB LEU 78 2.685 0.029 -1.641 1462 HG LEU 78 HG LEU 78 3.550 2.532 -1.521 1463 1HD1 LEU 78 1HD1 LEU 78 3.141 3.415 -3.945 1464 2HD1 LEU 78 2HD1 LEU 78 3.679 1.801 -4.408 1465 3HD1 LEU 78 3HD1 LEU 78 4.739 2.845 -3.462 1466 1HD2 LEU 78 1HD2 LEU 78 1.223 1.829 -1.383 1467 2HD2 LEU 78 2HD2 LEU 78 1.164 1.638 -3.135 1468 3HD2 LEU 78 3HD2 LEU 78 1.390 3.238 -2.429 1469 H HIS 79 H HIS 79 5.960 2.343 -0.792 1470 HA HIS 79 HA HIS 79 4.690 2.487 1.815 1471 1HB HIS 79 2HB HIS 79 7.473 1.638 1.414 1472 2HB HIS 79 1HB HIS 79 7.289 2.957 2.565 1473 HD1 HIS 79 1HD HIS 79 7.687 -0.449 2.713 1474 HD2 HIS 79 2HD HIS 79 4.797 2.074 4.310 1475 HE1 HIS 79 1HE HIS 79 6.673 -1.718 4.631 1476 HE2 HIS 79 2HE HIS 79 4.872 -0.205 5.532 1477 H THR 80 H THR 80 4.538 4.548 2.593 1478 HA THR 80 HA THR 80 5.867 6.666 1.033 1479 HB THR 80 HB THR 80 3.089 6.899 2.190 1480 HG1 THR 80 1HG THR 80 2.407 5.777 0.578 1481 1HG2 THR 80 1HG2 THR 80 3.349 8.468 -0.091 1482 2HG2 THR 80 2HG2 THR 80 4.837 8.721 0.819 1483 3HG2 THR 80 3HG2 THR 80 3.275 9.015 1.584 1484 H ALA 81 H ALA 81 6.301 8.634 2.148 1485 HA ALA 81 HA ALA 81 6.012 8.577 5.067 1486 1HB ALA 81 1HB ALA 81 8.185 7.814 5.079 1487 2HB ALA 81 2HB ALA 81 8.456 9.553 5.058 1488 3HB ALA 81 3HB ALA 81 8.592 8.624 3.567 1489 H ALA 82 H ALA 82 5.807 10.635 5.979 1490 HA ALA 82 HA ALA 82 6.320 12.963 4.365 1491 1HB ALA 82 1HB ALA 82 3.473 12.429 5.104 1492 2HB ALA 82 2HB ALA 82 4.160 12.066 3.520 1493 3HB ALA 82 3HB ALA 82 4.114 13.730 4.102 1494 H SER 83 H SER 83 6.870 14.589 5.555 1495 HA SER 83 HA SER 83 6.054 14.653 8.381 1496 1HB SER 83 2HB SER 83 8.522 14.361 7.910 1497 2HB SER 83 1HB SER 83 8.500 15.947 7.141 1498 HG SER 83 HG SER 83 7.924 15.336 9.851 1499 H CYS 84 H CYS 84 4.552 16.165 8.732 1500 HA CYS 84 HA CYS 84 4.353 18.414 6.879 1501 1HB CYS 84 2HB CYS 84 2.456 16.780 8.218 1502 2HB CYS 84 1HB CYS 84 2.234 18.432 8.781 1503 HG CYS 84 HG CYS 84 2.073 19.008 6.105 1504 H TRP 85 H TRP 85 4.450 20.537 7.490 1505 HA TRP 85 HA TRP 85 5.950 21.072 9.878 1506 1HB TRP 85 2HB TRP 85 5.745 22.317 7.473 1507 2HB TRP 85 1HB TRP 85 4.747 23.368 8.472 1508 HD1 TRP 85 HD TRP 85 8.121 21.616 9.224 1509 HE1 TRP 85 1HE TRP 85 9.758 23.391 10.096 1510 HE3 TRP 85 3HE TRP 85 5.123 25.735 8.840 1511 HZ2 TRP 85 2HZ TRP 85 9.781 26.181 10.562 1512 HZ3 TRP 85 3HZ TRP 85 6.027 27.920 9.519 1513 HH2 TRP 85 HH TRP 85 8.308 28.136 10.363 1514 H TRP 86 H TRP 86 2.681 20.570 9.473 1515 HA TRP 86 HA TRP 86 2.081 22.194 11.850 1516 1HB TRP 86 2HB TRP 86 -0.070 21.654 9.842 1517 2HB TRP 86 1HB TRP 86 0.073 22.977 10.993 1518 HD1 TRP 86 HD TRP 86 1.577 25.080 10.259 1519 HE1 TRP 86 1HE TRP 86 2.377 25.888 7.953 1520 HE3 TRP 86 3HE TRP 86 0.668 20.843 7.549 1521 HZ2 TRP 86 2HZ TRP 86 2.594 24.868 5.330 1522 HZ3 TRP 86 3HZ TRP 86 1.199 20.841 5.147 1523 HH2 TRP 86 HH TRP 86 2.141 22.815 4.061 1524 H ASP 87 H ASP 87 -0.117 21.391 12.823 1525 HA ASP 87 HA ASP 87 -0.811 18.662 12.451 1526 1HB ASP 87 2HB ASP 87 1.506 18.833 13.804 1527 2HB ASP 87 1HB ASP 87 0.379 18.993 15.148 1528 H SER 88 H SER 88 -0.720 21.362 14.748 1529 HA SER 88 HA SER 88 -2.950 20.631 16.274 1530 1HB SER 88 2HB SER 88 -1.270 22.435 16.823 1531 2HB SER 88 1HB SER 88 -2.105 23.467 15.661 1532 HG SER 88 HG SER 88 -3.967 23.308 16.920 1533 H THR 89 H THR 89 -2.701 22.208 13.168 1534 HA THR 89 HA THR 89 -5.622 22.546 13.110 1535 HB THR 89 HB THR 89 -4.614 24.634 12.651 1536 HG1 THR 89 1HG THR 89 -5.552 25.019 10.786 1537 1HG2 THR 89 1HG2 THR 89 -2.908 25.014 10.968 1538 2HG2 THR 89 2HG2 THR 89 -2.821 23.283 10.646 1539 3HG2 THR 89 3HG2 THR 89 -2.328 23.914 12.217 1540 H THR 90 H THR 90 -2.869 21.381 11.224 1541 HA THR 90 HA THR 90 -4.514 20.213 9.185 1542 HB THR 90 HB THR 90 -2.405 19.305 8.314 1543 HG1 THR 90 1HG THR 90 -1.292 20.343 10.703 1544 1HG2 THR 90 1HG2 THR 90 -1.275 21.316 7.796 1545 2HG2 THR 90 2HG2 THR 90 -1.915 22.121 9.230 1546 3HG2 THR 90 3HG2 THR 90 -2.993 21.697 7.899 1547 H ASP 91 H ASP 91 -5.887 18.917 10.578 1548 HA ASP 91 HA ASP 91 -4.619 16.350 11.215 1549 1HB ASP 91 2HB ASP 91 -5.077 17.664 13.289 1550 2HB ASP 91 1HB ASP 91 -6.789 17.636 12.876 1551 H GLY 92 H GLY 92 -5.367 15.639 9.160 1552 1HA GLY 92 2HA GLY 92 -8.088 14.607 9.313 1553 2HA GLY 92 1HA GLY 92 -7.756 15.676 7.971 1554 H SER 93 H SER 93 -4.977 14.620 7.690 1555 HA SER 93 HA SER 93 -5.056 13.002 5.611 1556 1HB SER 93 2HB SER 93 -2.872 12.078 6.263 1557 2HB SER 93 1HB SER 93 -2.975 13.806 6.592 1558 HG SER 93 HG SER 93 -2.206 12.090 8.279 1559 H ARG 94 H ARG 94 -6.190 11.274 5.134 1560 HA ARG 94 HA ARG 94 -5.977 8.903 6.820 1561 1HB ARG 94 2HB ARG 94 -8.388 10.487 6.566 1562 2HB ARG 94 1HB ARG 94 -8.647 8.864 5.939 1563 1HG ARG 94 2HG ARG 94 -9.194 8.541 8.122 1564 2HG ARG 94 1HG ARG 94 -7.471 8.169 8.188 1565 1HD ARG 94 2HD ARG 94 -7.437 10.850 8.585 1566 2HD ARG 94 1HD ARG 94 -8.972 10.422 9.340 1567 HE ARG 94 HE ARG 94 -7.153 8.610 10.311 1568 1HH1 ARG 94 1HH1 ARG 94 -7.454 12.095 10.325 1569 2HH1 ARG 94 2HH1 ARG 94 -6.612 12.281 11.826 1570 1HH2 ARG 94 1HH2 ARG 94 -6.050 8.863 12.281 1571 2HH2 ARG 94 2HH2 ARG 94 -5.815 10.449 12.935 1572 H THR 95 H THR 95 -5.211 7.374 5.516 1573 HA THR 95 HA THR 95 -5.644 7.576 2.654 1574 HB THR 95 HB THR 95 -3.382 7.213 3.425 1575 HG1 THR 95 1HG THR 95 -3.643 6.286 1.487 1576 1HG2 THR 95 1HG2 THR 95 -3.654 4.443 4.172 1577 2HG2 THR 95 2HG2 THR 95 -4.482 5.523 5.295 1578 3HG2 THR 95 3HG2 THR 95 -2.766 5.750 4.955 1579 H VAL 96 H VAL 96 -6.406 5.942 1.336 1580 HA VAL 96 HA VAL 96 -7.952 3.807 2.659 1581 HB VAL 96 HB VAL 96 -8.822 5.205 0.129 1582 1HG1 VAL 96 1HG1 VAL 96 -10.058 3.165 1.949 1583 2HG1 VAL 96 2HG1 VAL 96 -9.795 3.081 0.207 1584 3HG1 VAL 96 3HG1 VAL 96 -11.036 4.150 0.860 1585 1HG2 VAL 96 1HG2 VAL 96 -9.599 5.758 2.980 1586 2HG2 VAL 96 2HG2 VAL 96 -10.598 6.228 1.605 1587 3HG2 VAL 96 3HG2 VAL 96 -8.971 6.888 1.779 1588 H ARG 97 H ARG 97 -7.988 1.805 1.573 1589 HA ARG 97 HA ARG 97 -6.176 1.635 -0.748 1590 1HB ARG 97 2HB ARG 97 -6.486 -0.481 1.378 1591 2HB ARG 97 1HB ARG 97 -5.318 -0.455 0.065 1592 1HG ARG 97 2HG ARG 97 -5.219 1.880 1.836 1593 2HG ARG 97 1HG ARG 97 -4.815 0.345 2.606 1594 1HD ARG 97 2HD ARG 97 -3.252 -0.050 0.639 1595 2HD ARG 97 1HD ARG 97 -3.497 1.649 0.239 1596 HE ARG 97 HE ARG 97 -2.768 1.644 2.878 1597 1HH1 ARG 97 1HH1 ARG 97 -1.331 0.463 -0.085 1598 2HH1 ARG 97 2HH1 ARG 97 0.293 0.676 0.477 1599 1HH2 ARG 97 1HH2 ARG 97 -0.632 1.920 3.607 1600 2HH2 ARG 97 2HH2 ARG 97 0.690 1.501 2.568 1601 H TRP 98 H TRP 98 -7.338 1.212 -2.479 1602 HA TRP 98 HA TRP 98 -9.693 -0.550 -2.306 1603 1HB TRP 98 2HB TRP 98 -8.828 1.682 -4.019 1604 2HB TRP 98 1HB TRP 98 -9.437 0.327 -4.945 1605 HD1 TRP 98 HD TRP 98 -10.690 3.398 -4.176 1606 HE1 TRP 98 1HE TRP 98 -13.208 3.432 -3.665 1607 HE3 TRP 98 3HE TRP 98 -11.413 -1.547 -3.105 1608 HZ2 TRP 98 2HZ TRP 98 -15.210 1.669 -2.868 1609 HZ3 TRP 98 3HZ TRP 98 -13.670 -2.293 -2.473 1610 HH2 TRP 98 HH TRP 98 -15.534 -0.718 -2.360 1611 H GLU 99 H GLU 99 -9.737 -2.523 -3.327 1612 HA GLU 99 HA GLU 99 -7.540 -3.288 -5.079 1613 1HB GLU 99 2HB GLU 99 -7.931 -4.259 -2.338 1614 2HB GLU 99 1HB GLU 99 -7.760 -5.545 -3.525 1615 1HG GLU 99 2HG GLU 99 -5.575 -5.225 -3.660 1616 2HG GLU 99 1HG GLU 99 -5.784 -3.500 -3.959 1617 H ASN 100 H ASN 100 -8.037 -4.976 -6.493 1618 HA ASN 100 HA ASN 100 -10.821 -5.928 -6.406 1619 1HB ASN 100 2HB ASN 100 -10.697 -5.879 -8.959 1620 2HB ASN 100 1HB ASN 100 -10.846 -4.328 -8.140 1621 1HD2 ASN 100 1HD2 ASN 100 -9.517 -5.556 -10.701 1622 2HD2 ASN 100 2HD2 ASN 100 -8.007 -4.719 -10.760 1623 H LYS 101 H LYS 101 -7.652 -6.530 -7.926 1624 HA LYS 101 HA LYS 101 -7.835 -9.326 -7.219 1625 1HB LYS 101 2HB LYS 101 -7.410 -10.045 -9.605 1626 2HB LYS 101 1HB LYS 101 -9.038 -9.481 -9.255 1627 1HG LYS 101 2HG LYS 101 -8.738 -8.298 -11.141 1628 2HG LYS 101 1HG LYS 101 -7.913 -7.175 -10.056 1629 1HD LYS 101 2HD LYS 101 -6.263 -7.385 -11.595 1630 2HD LYS 101 1HD LYS 101 -5.868 -8.807 -10.627 1631 1HE LYS 101 2HE LYS 101 -6.497 -10.240 -12.244 1632 2HE LYS 101 1HE LYS 101 -7.877 -9.254 -12.723 1633 1HZ LYS 101 1HZ LYS 101 -5.149 -9.242 -13.731 1634 2HZ LYS 101 2HZ LYS 101 -5.891 -7.730 -13.584 1635 3HZ LYS 101 3HZ LYS 101 -6.603 -8.932 -14.537 1636 H SER 102 H SER 102 -6.076 -6.873 -9.085 1637 HA SER 102 HA SER 102 -3.596 -7.809 -7.856 1638 1HB SER 102 2HB SER 102 -3.805 -8.948 -10.067 1639 2HB SER 102 1HB SER 102 -3.836 -7.363 -10.839 1640 HG SER 102 HG SER 102 -1.725 -8.692 -10.413 1641 H MET 103 H MET 103 -5.109 -5.388 -9.967 1642 HA MET 103 HA MET 103 -3.082 -3.426 -9.444 1643 1HB MET 103 2HB MET 103 -4.758 -3.698 -11.479 1644 2HB MET 103 1HB MET 103 -5.772 -2.662 -10.484 1645 1HG MET 103 2HG MET 103 -2.951 -1.992 -11.284 1646 2HG MET 103 1HG MET 103 -4.384 -1.462 -12.162 1647 1HE MET 103 1HE MET 103 -2.181 0.347 -8.931 1648 2HE MET 103 2HE MET 103 -2.311 1.123 -10.508 1649 3HE MET 103 3HE MET 103 -1.803 -0.561 -10.394 1650 H TYR 104 H TYR 104 -2.890 -2.453 -7.538 1651 HA TYR 104 HA TYR 104 -5.303 -1.990 -5.932 1652 1HB TYR 104 2HB TYR 104 -2.457 -1.664 -4.991 1653 2HB TYR 104 1HB TYR 104 -3.906 -1.858 -4.015 1654 HD1 TYR 104 1HD TYR 104 -4.854 -4.207 -6.038 1655 HD2 TYR 104 2HD TYR 104 -1.407 -3.452 -3.655 1656 HE1 TYR 104 1HE TYR 104 -4.428 -6.623 -5.897 1657 HE2 TYR 104 2HE TYR 104 -0.974 -5.867 -3.511 1658 HH TYR 104 HH TYR 104 -1.490 -7.905 -4.675 1659 H CYS 105 H CYS 105 -5.828 0.035 -5.138 1660 HA CYS 105 HA CYS 105 -4.234 2.300 -6.121 1661 1HB CYS 105 2HB CYS 105 -7.247 2.082 -6.289 1662 2HB CYS 105 1HB CYS 105 -6.294 3.493 -6.736 1663 HG CYS 105 HG CYS 105 -5.204 1.707 -8.568 1664 H ILE 106 H ILE 106 -3.588 3.434 -4.426 1665 HA ILE 106 HA ILE 106 -5.271 3.488 -2.026 1666 HB ILE 106 HB ILE 106 -3.083 2.712 -1.514 1667 1HG1 ILE 106 2HG1 ILE 106 -2.583 5.511 -0.674 1668 2HG1 ILE 106 1HG1 ILE 106 -4.136 4.830 -0.197 1669 1HG2 ILE 106 1HG2 ILE 106 -1.859 3.361 -3.430 1670 2HG2 ILE 106 2HG2 ILE 106 -1.055 4.073 -2.032 1671 3HG2 ILE 106 3HG2 ILE 106 -2.072 5.072 -3.067 1672 1HD1 ILE 106 1HD1 ILE 106 -1.789 3.122 0.274 1673 2HD1 ILE 106 2HD1 ILE 106 -3.207 3.417 1.282 1674 3HD1 ILE 106 3HD1 ILE 106 -1.890 4.591 1.244 1675 H CYS 107 H CYS 107 -6.133 5.341 -1.252 1676 HA CYS 107 HA CYS 107 -5.296 7.889 -2.426 1677 1HB CYS 107 2HB CYS 107 -7.229 7.131 -3.738 1678 2HB CYS 107 1HB CYS 107 -8.172 6.975 -2.260 1679 HG CYS 107 HG CYS 107 -7.218 9.802 -2.554 1680 H THR 108 H THR 108 -4.911 9.308 -0.874 1681 HA THR 108 HA THR 108 -6.272 8.957 1.705 1682 HB THR 108 HB THR 108 -3.708 8.712 1.566 1683 HG1 THR 108 1HG THR 108 -3.581 9.413 3.614 1684 1HG2 THR 108 1HG2 THR 108 -2.485 10.847 1.962 1685 2HG2 THR 108 2HG2 THR 108 -3.913 11.715 1.403 1686 3HG2 THR 108 3HG2 THR 108 -3.057 10.629 0.310 1687 H VAL 109 H VAL 109 -7.293 10.589 2.671 1688 HA VAL 109 HA VAL 109 -7.475 13.113 1.163 1689 HB VAL 109 HB VAL 109 -9.603 12.658 3.141 1690 1HG1 VAL 109 1HG1 VAL 109 -9.262 13.767 0.419 1691 2HG1 VAL 109 2HG1 VAL 109 -10.078 14.442 1.829 1692 3HG1 VAL 109 3HG1 VAL 109 -10.870 13.196 0.864 1693 1HG2 VAL 109 1HG2 VAL 109 -9.282 10.342 2.288 1694 2HG2 VAL 109 2HG2 VAL 109 -9.640 10.942 0.670 1695 3HG2 VAL 109 3HG2 VAL 109 -10.865 11.032 1.936 1696 H PHE 110 H PHE 110 -6.683 14.833 2.144 1697 HA PHE 110 HA PHE 110 -6.026 14.625 4.984 1698 1HB PHE 110 2HB PHE 110 -4.901 16.059 2.648 1699 2HB PHE 110 1HB PHE 110 -4.750 16.849 4.205 1700 HD1 PHE 110 1HD PHE 110 -2.570 16.650 4.910 1701 HD2 PHE 110 2HD PHE 110 -4.510 13.275 3.189 1702 HE1 PHE 110 1HE PHE 110 -0.592 15.270 5.395 1703 HE2 PHE 110 2HE PHE 110 -2.536 11.888 3.675 1704 HZ PHE 110 HZ PHE 110 -0.573 12.886 4.778 1705 H GLY 111 H GLY 111 -7.809 15.213 6.066 1706 1HA GLY 111 2HA GLY 111 -9.324 17.587 5.300 1707 2HA GLY 111 1HA GLY 111 -9.746 16.450 6.575 1708 H LEU 112 H LEU 112 -7.557 19.046 5.695 1709 HA LEU 112 HA LEU 112 -6.557 19.372 8.367 1710 1HB LEU 112 2HB LEU 112 -6.287 20.995 5.837 1711 2HB LEU 112 1HB LEU 112 -5.512 21.439 7.342 1712 HG LEU 112 HG LEU 112 -3.928 19.777 7.179 1713 1HD1 LEU 112 1HD1 LEU 112 -5.456 17.870 7.054 1714 2HD1 LEU 112 2HD1 LEU 112 -4.121 17.711 5.912 1715 3HD1 LEU 112 3HD1 LEU 112 -5.718 18.200 5.342 1716 1HD2 LEU 112 1HD2 LEU 112 -4.638 20.127 4.287 1717 2HD2 LEU 112 2HD2 LEU 112 -3.058 19.730 4.961 1718 3HD2 LEU 112 3HD2 LEU 112 -3.769 21.317 5.257 1719 H ALA 113 H ALA 113 -7.305 20.652 9.923 1720 HA ALA 113 HA ALA 113 -9.844 21.894 9.712 1721 1HB ALA 113 1HB ALA 113 -8.868 20.886 11.785 1722 2HB ALA 113 2HB ALA 113 -9.567 22.491 12.002 1723 3HB ALA 113 3HB ALA 113 -7.816 22.297 11.900 1724 H ILE 114 H ILE 114 -9.394 23.329 7.879 1725 HA ILE 114 HA ILE 114 -8.996 25.372 6.955 1726 HB ILE 114 HB ILE 114 -8.893 26.402 9.787 1727 1HG1 ILE 114 2HG1 ILE 114 -11.355 26.101 8.062 1728 2HG1 ILE 114 1HG1 ILE 114 -10.892 24.929 9.292 1729 1HG2 ILE 114 1HG2 ILE 114 -9.512 28.490 8.897 1730 2HG2 ILE 114 2HG2 ILE 114 -9.927 27.790 7.333 1731 3HG2 ILE 114 3HG2 ILE 114 -8.240 27.886 7.834 1732 1HD1 ILE 114 1HD1 ILE 114 -12.617 26.612 9.976 1733 2HD1 ILE 114 2HD1 ILE 114 -11.351 27.836 9.886 1734 3HD1 ILE 114 3HD1 ILE 114 -11.207 26.501 11.029 Start of MODEL 5 1 1H MET 1 1HT MET 1 34.142 4.448 -10.612 2 HA MET 1 HA MET 1 33.356 2.718 -8.405 3 1HB MET 1 2HB MET 1 32.375 5.204 -9.751 4 2HB MET 1 1HB MET 1 31.200 4.101 -9.047 5 1HG MET 1 2HG MET 1 32.411 4.272 -6.891 6 2HG MET 1 1HG MET 1 33.456 5.488 -7.622 7 1HE MET 1 1HE MET 1 33.227 7.621 -6.832 8 2HE MET 1 2HE MET 1 32.485 7.084 -5.325 9 3HE MET 1 3HE MET 1 31.781 8.427 -6.224 10 H GLU 2 H GLU 2 31.183 1.709 -8.902 11 HA GLU 2 HA GLU 2 31.435 0.179 -11.334 12 1HB GLU 2 2HB GLU 2 30.525 -0.441 -8.861 13 2HB GLU 2 1HB GLU 2 29.002 -0.121 -9.677 14 1HG GLU 2 2HG GLU 2 30.235 -1.702 -11.494 15 2HG GLU 2 1HG GLU 2 30.883 -2.347 -9.987 16 H GLY 3 H GLY 3 28.842 -0.346 -12.062 17 1HA GLY 3 2HA GLY 3 28.249 1.870 -13.731 18 2HA GLY 3 1HA GLY 3 27.258 0.432 -13.535 19 H VAL 4 H VAL 4 28.091 3.499 -11.961 20 HA VAL 4 HA VAL 4 25.316 3.637 -10.976 21 HB VAL 4 HB VAL 4 27.716 4.764 -9.531 22 1HG1 VAL 4 1HG1 VAL 4 25.295 5.707 -9.290 23 2HG1 VAL 4 2HG1 VAL 4 26.283 5.429 -7.856 24 3HG1 VAL 4 3HG1 VAL 4 25.039 4.263 -8.310 25 1HG2 VAL 4 1HG2 VAL 4 27.988 2.435 -9.362 26 2HG2 VAL 4 2HG2 VAL 4 26.256 2.162 -9.176 27 3HG2 VAL 4 3HG2 VAL 4 27.176 2.909 -7.870 28 H ASP 5 H ASP 5 24.229 5.336 -11.734 29 HA ASP 5 HA ASP 5 25.744 7.556 -12.905 30 1HB ASP 5 2HB ASP 5 23.997 6.264 -14.249 31 2HB ASP 5 1HB ASP 5 22.789 7.040 -13.230 32 HA PRO 6 HA PRO 6 24.281 9.363 -8.890 33 1HB PRO 6 2HB PRO 6 26.244 11.298 -8.892 34 2HB PRO 6 1HB PRO 6 26.408 9.711 -8.137 35 1HG PRO 6 2HG PRO 6 27.380 10.651 -10.804 36 2HG PRO 6 1HG PRO 6 28.196 9.622 -9.612 37 1HD PRO 6 2HD PRO 6 27.040 8.587 -11.799 38 2HD PRO 6 1HD PRO 6 27.002 7.734 -10.241 39 H ALA 7 H ALA 7 22.522 10.579 -9.185 40 HA ALA 7 HA ALA 7 21.183 12.334 -9.757 41 1HB ALA 7 1HB ALA 7 23.631 13.735 -10.811 42 2HB ALA 7 2HB ALA 7 23.192 13.699 -9.103 43 3HB ALA 7 3HB ALA 7 22.115 14.458 -10.275 44 H VAL 8 H VAL 8 20.037 11.261 -11.316 45 HA VAL 8 HA VAL 8 20.951 11.623 -14.100 46 HB VAL 8 HB VAL 8 18.763 9.692 -13.742 47 1HG1 VAL 8 1HG1 VAL 8 21.444 9.406 -15.068 48 2HG1 VAL 8 2HG1 VAL 8 20.010 10.099 -15.826 49 3HG1 VAL 8 3HG1 VAL 8 20.012 8.408 -15.322 50 1HG2 VAL 8 1HG2 VAL 8 19.882 7.919 -12.721 51 2HG2 VAL 8 2HG2 VAL 8 20.175 9.301 -11.670 52 3HG2 VAL 8 3HG2 VAL 8 21.436 8.749 -12.771 53 H GLU 9 H GLU 9 17.968 11.064 -12.296 54 HA GLU 9 HA GLU 9 16.561 12.914 -14.074 55 1HB GLU 9 2HB GLU 9 15.164 11.181 -12.074 56 2HB GLU 9 1HB GLU 9 14.630 11.722 -13.648 57 1HG GLU 9 2HG GLU 9 16.345 10.184 -14.650 58 2HG GLU 9 1HG GLU 9 16.557 9.517 -13.032 59 H GLU 10 H GLU 10 18.051 14.363 -12.526 60 HA GLU 10 HA GLU 10 17.256 14.970 -9.931 61 1HB GLU 10 2HB GLU 10 19.195 15.856 -11.613 62 2HB GLU 10 1HB GLU 10 18.126 17.250 -11.595 63 1HG GLU 10 2HG GLU 10 18.724 17.826 -9.530 64 2HG GLU 10 1HG GLU 10 18.653 16.166 -8.943 65 H ALA 11 H ALA 11 15.407 15.739 -9.153 66 HA ALA 11 HA ALA 11 13.689 17.344 -10.931 67 1HB ALA 11 1HB ALA 11 13.005 15.028 -9.747 68 2HB ALA 11 2HB ALA 11 11.851 16.303 -10.137 69 3HB ALA 11 3HB ALA 11 12.500 16.170 -8.502 70 H ALA 12 H ALA 12 12.917 19.291 -10.262 71 HA ALA 12 HA ALA 12 12.611 20.395 -7.801 72 1HB ALA 12 1HB ALA 12 15.486 20.519 -8.635 73 2HB ALA 12 2HB ALA 12 14.795 20.198 -7.044 74 3HB ALA 12 3HB ALA 12 14.779 21.836 -7.697 75 H PHE 13 H PHE 13 12.562 22.821 -7.837 76 HA PHE 13 HA PHE 13 12.625 23.962 -10.524 77 1HB PHE 13 2HB PHE 13 10.304 23.058 -10.025 78 2HB PHE 13 1HB PHE 13 10.185 24.299 -8.782 79 HD1 PHE 13 1HD PHE 13 8.696 25.899 -9.497 80 HD2 PHE 13 2HD PHE 13 11.563 24.369 -12.244 81 HE1 PHE 13 1HE PHE 13 7.933 27.516 -11.186 82 HE2 PHE 13 2HE PHE 13 10.806 25.984 -13.939 83 HZ PHE 13 HZ PHE 13 8.989 27.560 -13.412 84 H VAL 14 H VAL 14 11.368 24.951 -7.335 85 HA VAL 14 HA VAL 14 13.233 27.234 -7.414 86 HB VAL 14 HB VAL 14 10.482 27.326 -6.175 87 1HG1 VAL 14 1HG1 VAL 14 10.948 29.834 -6.547 88 2HG1 VAL 14 2HG1 VAL 14 12.633 29.340 -6.711 89 3HG1 VAL 14 3HG1 VAL 14 11.760 29.013 -5.214 90 1HG2 VAL 14 1HG2 VAL 14 9.794 27.186 -8.338 91 2HG2 VAL 14 2HG2 VAL 14 11.333 27.760 -8.981 92 3HG2 VAL 14 3HG2 VAL 14 10.180 28.906 -8.298 93 H ALA 15 H ALA 15 13.722 28.157 -5.259 94 HA ALA 15 HA ALA 15 14.341 28.037 -3.076 95 1HB ALA 15 1HB ALA 15 12.641 25.584 -2.732 96 2HB ALA 15 2HB ALA 15 11.958 27.209 -2.777 97 3HB ALA 15 3HB ALA 15 13.115 26.774 -1.520 98 H ASP 16 H ASP 16 16.322 27.360 -4.393 99 HA ASP 16 HA ASP 16 17.203 24.700 -4.465 100 1HB ASP 16 2HB ASP 16 18.225 26.680 -5.671 101 2HB ASP 16 1HB ASP 16 18.983 27.120 -4.144 102 H ASP 17 H ASP 17 17.080 27.025 -1.883 103 HA ASP 17 HA ASP 17 18.997 25.988 -0.146 104 1HB ASP 17 2HB ASP 17 17.568 27.023 1.660 105 2HB ASP 17 1HB ASP 17 18.020 28.109 0.350 106 H VAL 18 H VAL 18 15.539 25.222 -0.431 107 HA VAL 18 HA VAL 18 15.653 23.155 1.565 108 HB VAL 18 HB VAL 18 13.466 23.585 -0.467 109 1HG1 VAL 18 1HG1 VAL 18 13.218 22.535 2.336 110 2HG1 VAL 18 2HG1 VAL 18 13.570 21.480 0.967 111 3HG1 VAL 18 3HG1 VAL 18 12.069 22.405 1.003 112 1HG2 VAL 18 1HG2 VAL 18 12.380 25.027 1.185 113 2HG2 VAL 18 2HG2 VAL 18 13.925 25.697 0.663 114 3HG2 VAL 18 3HG2 VAL 18 13.795 24.898 2.230 115 H SER 19 H SER 19 15.870 23.345 -1.920 116 HA SER 19 HA SER 19 15.425 20.644 -2.529 117 1HB SER 19 2HB SER 19 16.231 21.130 -4.677 118 2HB SER 19 1HB SER 19 15.608 22.678 -4.109 119 HG SER 19 HG SER 19 17.998 22.215 -4.999 120 H ASN 20 H ASN 20 18.424 22.360 -1.712 121 HA ASN 20 HA ASN 20 20.098 20.103 -2.155 122 1HB ASN 20 2HB ASN 20 21.879 21.415 -1.275 123 2HB ASN 20 1HB ASN 20 20.843 22.512 -2.180 124 1HD2 ASN 20 1HD2 ASN 20 20.016 24.240 -1.175 125 2HD2 ASN 20 2HD2 ASN 20 20.191 24.577 0.510 126 H ILE 21 H ILE 21 18.465 21.371 0.705 127 HA ILE 21 HA ILE 21 19.765 19.910 2.685 128 HB ILE 21 HB ILE 21 16.899 20.856 2.495 129 1HG1 ILE 21 2HG1 ILE 21 19.265 21.865 4.080 130 2HG1 ILE 21 1HG1 ILE 21 18.657 22.575 2.589 131 1HG2 ILE 21 1HG2 ILE 21 18.266 19.598 4.871 132 2HG2 ILE 21 2HG2 ILE 21 16.813 19.034 4.047 133 3HG2 ILE 21 3HG2 ILE 21 16.777 20.538 4.967 134 1HD1 ILE 21 1HD1 ILE 21 16.586 22.292 4.587 135 2HD1 ILE 21 2HD1 ILE 21 17.091 23.712 3.671 136 3HD1 ILE 21 3HD1 ILE 21 17.939 23.270 5.153 137 H ILE 22 H ILE 22 16.803 19.012 0.907 138 HA ILE 22 HA ILE 22 16.477 16.496 2.066 139 HB ILE 22 HB ILE 22 15.540 17.729 -0.500 140 1HG1 ILE 22 2HG1 ILE 22 14.431 18.233 1.627 141 2HG1 ILE 22 1HG1 ILE 22 13.352 17.370 0.532 142 1HG2 ILE 22 1HG2 ILE 22 15.037 14.837 0.219 143 2HG2 ILE 22 2HG2 ILE 22 15.971 15.412 -1.163 144 3HG2 ILE 22 3HG2 ILE 22 14.239 15.733 -1.076 145 1HD1 ILE 22 1HD1 ILE 22 14.338 15.284 1.846 146 2HD1 ILE 22 2HD1 ILE 22 12.942 16.197 2.420 147 3HD1 ILE 22 3HD1 ILE 22 14.541 16.511 3.094 148 H LYS 23 H LYS 23 18.096 17.303 -1.021 149 HA LYS 23 HA LYS 23 18.918 14.677 -1.544 150 1HB LYS 23 2HB LYS 23 19.907 17.346 -2.506 151 2HB LYS 23 1HB LYS 23 20.606 15.833 -3.066 152 1HG LYS 23 2HG LYS 23 18.549 15.135 -4.012 153 2HG LYS 23 1HG LYS 23 17.676 16.454 -3.231 154 1HD LYS 23 2HD LYS 23 18.270 17.953 -4.801 155 2HD LYS 23 1HD LYS 23 19.911 17.319 -4.928 156 1HE LYS 23 2HE LYS 23 19.400 16.102 -6.719 157 2HE LYS 23 1HE LYS 23 17.935 15.468 -5.972 158 1HZ LYS 23 1HZ LYS 23 18.279 17.900 -7.598 159 2HZ LYS 23 2HZ LYS 23 16.998 17.794 -6.500 160 3HZ LYS 23 3HZ LYS 23 17.131 16.667 -7.755 161 H GLU 24 H GLU 24 20.591 17.363 0.054 162 HA GLU 24 HA GLU 24 23.051 16.052 0.462 163 1HB GLU 24 2HB GLU 24 21.643 18.342 1.798 164 2HB GLU 24 1HB GLU 24 23.097 17.686 2.527 165 1HG GLU 24 2HG GLU 24 23.122 18.435 -0.355 166 2HG GLU 24 1HG GLU 24 23.227 19.695 0.874 167 H SER 25 H SER 25 20.027 16.065 2.217 168 HA SER 25 HA SER 25 20.930 14.717 4.535 169 1HB SER 25 2HB SER 25 18.747 16.025 4.222 170 2HB SER 25 1HB SER 25 18.123 14.575 3.437 171 HG SER 25 HG SER 25 19.032 14.864 6.103 172 H ILE 26 H ILE 26 19.484 13.578 1.479 173 HA ILE 26 HA ILE 26 19.232 10.876 2.182 174 HB ILE 26 HB ILE 26 19.412 12.358 -0.400 175 1HG1 ILE 26 2HG1 ILE 26 17.345 10.929 -0.775 176 2HG1 ILE 26 1HG1 ILE 26 17.540 10.406 0.896 177 1HG2 ILE 26 1HG2 ILE 26 19.104 9.973 -1.504 178 2HG2 ILE 26 2HG2 ILE 26 20.130 9.477 -0.158 179 3HG2 ILE 26 3HG2 ILE 26 20.703 10.691 -1.301 180 1HD1 ILE 26 1HD1 ILE 26 17.514 12.848 1.504 181 2HD1 ILE 26 2HD1 ILE 26 15.990 12.150 0.957 182 3HD1 ILE 26 3HD1 ILE 26 16.949 13.149 -0.137 183 H ASP 27 H ASP 27 21.948 12.694 0.883 184 HA ASP 27 HA ASP 27 23.707 10.589 0.411 185 1HB ASP 27 2HB ASP 27 24.060 12.987 -0.231 186 2HB ASP 27 1HB ASP 27 24.425 13.336 1.453 187 H ALA 28 H ALA 28 22.891 12.278 3.375 188 HA ALA 28 HA ALA 28 24.881 10.797 4.907 189 1HB ALA 28 1HB ALA 28 22.877 12.892 5.734 190 2HB ALA 28 2HB ALA 28 24.595 13.136 5.417 191 3HB ALA 28 3HB ALA 28 24.081 12.170 6.801 192 H VAL 29 H VAL 29 21.362 11.076 4.749 193 HA VAL 29 HA VAL 29 20.847 9.247 6.827 194 HB VAL 29 HB VAL 29 19.308 10.939 5.001 195 1HG1 VAL 29 1HG1 VAL 29 18.010 9.198 4.242 196 2HG1 VAL 29 2HG1 VAL 29 17.142 9.762 5.656 197 3HG1 VAL 29 3HG1 VAL 29 18.130 8.309 5.761 198 1HG2 VAL 29 1HG2 VAL 29 19.687 11.477 7.312 199 2HG2 VAL 29 2HG2 VAL 29 18.865 9.998 7.809 200 3HG2 VAL 29 3HG2 VAL 29 17.968 11.276 6.999 201 H LEU 30 H LEU 30 22.095 8.659 3.789 202 HA LEU 30 HA LEU 30 21.136 5.893 3.905 203 1HB LEU 30 2HB LEU 30 21.514 7.639 1.498 204 2HB LEU 30 1HB LEU 30 21.614 5.895 1.370 205 HG LEU 30 HG LEU 30 19.380 6.606 0.780 206 1HD1 LEU 30 1HD1 LEU 30 18.184 5.125 2.109 207 2HD1 LEU 30 2HD1 LEU 30 19.120 5.524 3.547 208 3HD1 LEU 30 3HD1 LEU 30 19.845 4.550 2.270 209 1HD2 LEU 30 1HD2 LEU 30 19.688 8.659 2.439 210 2HD2 LEU 30 2HD2 LEU 30 18.804 7.578 3.511 211 3HD2 LEU 30 3HD2 LEU 30 18.101 8.057 1.967 212 H GLN 31 H GLN 31 23.875 8.064 3.216 213 HA GLN 31 HA GLN 31 25.636 5.813 2.750 214 1HB GLN 31 2HB GLN 31 25.830 8.116 1.643 215 2HB GLN 31 1HB GLN 31 26.529 8.638 3.163 216 1HG GLN 31 2HG GLN 31 28.315 7.107 2.969 217 2HG GLN 31 1HG GLN 31 27.579 6.374 1.554 218 1HE2 GLN 31 1HE2 GLN 31 27.333 7.745 -0.354 219 2HE2 GLN 31 2HE2 GLN 31 28.527 8.953 -0.669 220 H ASN 32 H ASN 32 24.492 7.469 5.510 221 HA ASN 32 HA ASN 32 26.432 7.774 7.319 222 1HB ASN 32 2HB ASN 32 24.904 6.986 9.062 223 2HB ASN 32 1HB ASN 32 24.038 7.930 7.856 224 1HD2 ASN 32 1HD2 ASN 32 24.812 4.640 8.843 225 2HD2 ASN 32 2HD2 ASN 32 23.392 3.914 8.202 226 H GLN 33 H GLN 33 25.436 4.628 6.080 227 HA GLN 33 HA GLN 33 27.856 3.472 7.191 228 1HB GLN 33 2HB GLN 33 26.301 3.135 9.009 229 2HB GLN 33 1HB GLN 33 25.117 2.427 7.922 230 1HG GLN 33 2HG GLN 33 25.946 0.444 8.444 231 2HG GLN 33 1HG GLN 33 27.408 0.890 7.567 232 1HE2 GLN 33 1HE2 GLN 33 26.058 1.963 10.664 233 2HE2 GLN 33 2HE2 GLN 33 27.448 1.561 11.607 234 H GLN 34 H GLN 34 25.001 1.640 6.124 235 HA GLN 34 HA GLN 34 26.307 1.132 3.555 236 1HB GLN 34 2HB GLN 34 26.649 -0.617 5.608 237 2HB GLN 34 1HB GLN 34 25.195 -1.269 4.866 238 1HG GLN 34 2HG GLN 34 27.287 -2.295 4.045 239 2HG GLN 34 1HG GLN 34 26.318 -1.560 2.773 240 1HE2 GLN 34 1HE2 GLN 34 29.230 -1.342 4.651 241 2HE2 GLN 34 2HE2 GLN 34 30.028 -0.177 3.657 242 H TYR 35 H TYR 35 24.838 -0.399 2.209 243 HA TYR 35 HA TYR 35 22.208 0.824 2.151 244 1HB TYR 35 2HB TYR 35 23.146 0.821 0.023 245 2HB TYR 35 1HB TYR 35 23.889 -0.754 0.236 246 HD1 TYR 35 1HD TYR 35 20.301 0.064 0.780 247 HD2 TYR 35 2HD TYR 35 23.171 -1.827 -1.729 248 HE1 TYR 35 1HE TYR 35 18.484 -0.974 -0.513 249 HE2 TYR 35 2HE TYR 35 21.362 -2.867 -3.027 250 HH TYR 35 HH TYR 35 18.671 -3.470 -2.272 251 H SER 36 H SER 36 20.624 -0.059 3.283 252 HA SER 36 HA SER 36 20.309 -2.982 3.258 253 1HB SER 36 2HB SER 36 20.228 -1.132 5.631 254 2HB SER 36 1HB SER 36 19.332 -2.652 5.640 255 HG SER 36 HG SER 36 22.018 -2.200 5.887 256 H GLU 37 H GLU 37 18.318 -3.613 2.619 257 HA GLU 37 HA GLU 37 16.428 -1.757 1.705 258 1HB GLU 37 2HB GLU 37 16.606 -4.071 0.863 259 2HB GLU 37 1HB GLU 37 15.951 -4.657 2.388 260 1HG GLU 37 2HG GLU 37 13.903 -4.405 1.604 261 2HG GLU 37 1HG GLU 37 14.183 -2.678 1.429 262 H ALA 38 H ALA 38 16.560 -3.599 4.728 263 HA ALA 38 HA ALA 38 14.023 -2.944 5.708 264 1HB ALA 38 1HB ALA 38 16.520 -3.304 7.355 265 2HB ALA 38 2HB ALA 38 15.566 -4.630 6.690 266 3HB ALA 38 3HB ALA 38 14.853 -3.540 7.879 267 H LYS 39 H LYS 39 16.924 -1.064 5.483 268 HA LYS 39 HA LYS 39 15.730 1.067 7.095 269 1HB LYS 39 2HB LYS 39 18.505 0.334 6.324 270 2HB LYS 39 1HB LYS 39 18.143 2.030 6.561 271 1HG LYS 39 2HG LYS 39 18.872 1.397 8.627 272 2HG LYS 39 1HG LYS 39 17.123 1.277 8.797 273 1HD LYS 39 2HD LYS 39 18.172 -0.660 9.771 274 2HD LYS 39 1HD LYS 39 17.279 -1.137 8.328 275 1HE LYS 39 2HE LYS 39 19.131 -2.077 7.537 276 2HE LYS 39 1HE LYS 39 19.895 -0.490 7.491 277 1HZ LYS 39 1HZ LYS 39 21.109 -2.218 8.793 278 2HZ LYS 39 2HZ LYS 39 19.841 -2.198 9.913 279 3HZ LYS 39 3HZ LYS 39 20.763 -0.803 9.656 280 H VAL 40 H VAL 40 16.243 0.133 3.852 281 HA VAL 40 HA VAL 40 16.705 2.460 2.474 282 HB VAL 40 HB VAL 40 15.314 -0.090 1.856 283 1HG1 VAL 40 1HG1 VAL 40 15.011 0.917 -0.568 284 2HG1 VAL 40 2HG1 VAL 40 14.717 2.396 0.347 285 3HG1 VAL 40 3HG1 VAL 40 13.717 0.971 0.628 286 1HG2 VAL 40 1HG2 VAL 40 17.576 -0.161 1.444 287 2HG2 VAL 40 2HG2 VAL 40 17.618 1.483 0.808 288 3HG2 VAL 40 3HG2 VAL 40 16.914 0.184 -0.154 289 H SER 41 H SER 41 13.830 1.539 4.205 290 HA SER 41 HA SER 41 12.382 3.854 3.123 291 1HB SER 41 2HB SER 41 11.285 1.655 4.889 292 2HB SER 41 1HB SER 41 10.366 2.857 3.985 293 HG SER 41 HG SER 41 11.363 0.474 3.163 294 H GLN 42 H GLN 42 13.552 2.404 6.117 295 HA GLN 42 HA GLN 42 12.447 4.385 7.836 296 1HB GLN 42 2HB GLN 42 14.589 2.303 8.139 297 2HB GLN 42 1HB GLN 42 14.345 3.506 9.395 298 1HG GLN 42 2HG GLN 42 13.174 1.374 9.816 299 2HG GLN 42 1HG GLN 42 12.103 2.772 9.759 300 1HE2 GLN 42 1HE2 GLN 42 10.900 3.124 7.785 301 2HE2 GLN 42 2HE2 GLN 42 10.434 1.768 6.820 302 H TRP 43 H TRP 43 15.425 4.182 6.001 303 HA TRP 43 HA TRP 43 16.819 6.213 7.324 304 1HB TRP 43 2HB TRP 43 16.965 5.089 4.564 305 2HB TRP 43 1HB TRP 43 17.861 6.552 4.939 306 HD1 TRP 43 HD TRP 43 18.895 3.444 4.304 307 HE1 TRP 43 1HE TRP 43 20.659 2.480 5.883 308 HE3 TRP 43 3HE TRP 43 18.321 6.625 8.304 309 HZ2 TRP 43 2HZ TRP 43 21.684 2.959 8.448 310 HZ3 TRP 43 3HZ TRP 43 19.746 6.287 10.268 311 HH2 TRP 43 HH TRP 43 21.398 4.496 10.339 312 H THR 44 H THR 44 14.826 6.398 4.383 313 HA THR 44 HA THR 44 14.975 9.150 4.028 314 HB THR 44 HB THR 44 13.967 7.443 2.462 315 HG1 THR 44 1HG THR 44 13.775 9.765 2.249 316 1HG2 THR 44 1HG2 THR 44 11.253 7.846 3.095 317 2HG2 THR 44 2HG2 THR 44 12.038 7.171 4.523 318 3HG2 THR 44 3HG2 THR 44 12.141 6.327 2.978 319 H SER 45 H SER 45 13.258 7.308 6.379 320 HA SER 45 HA SER 45 11.381 9.297 7.167 321 1HB SER 45 2HB SER 45 10.715 7.764 8.740 322 2HB SER 45 1HB SER 45 11.667 6.666 7.754 323 HG SER 45 HG SER 45 12.874 6.376 9.435 324 H SER 46 H SER 46 14.647 8.381 8.053 325 HA SER 46 HA SER 46 14.995 10.273 10.141 326 1HB SER 46 2HB SER 46 16.722 8.424 8.615 327 2HB SER 46 1HB SER 46 17.525 9.855 9.258 328 HG SER 46 HG SER 46 16.676 7.644 10.553 329 H CYS 47 H CYS 47 15.484 10.282 6.671 330 HA CYS 47 HA CYS 47 16.813 12.769 6.435 331 1HB CYS 47 2HB CYS 47 16.754 11.291 4.525 332 2HB CYS 47 1HB CYS 47 15.010 11.235 4.550 333 HG CYS 47 HG CYS 47 16.096 14.014 3.947 334 H LEU 48 H LEU 48 13.459 11.792 6.569 335 HA LEU 48 HA LEU 48 12.351 14.330 6.053 336 1HB LEU 48 2HB LEU 48 11.393 11.700 6.987 337 2HB LEU 48 1HB LEU 48 10.433 13.075 7.486 338 HG LEU 48 HG LEU 48 9.765 13.579 5.333 339 1HD1 LEU 48 1HD1 LEU 48 10.896 12.749 3.302 340 2HD1 LEU 48 2HD1 LEU 48 12.133 12.017 4.325 341 3HD1 LEU 48 3HD1 LEU 48 11.934 13.763 4.296 342 1HD2 LEU 48 1HD2 LEU 48 8.841 11.610 4.444 343 2HD2 LEU 48 2HD2 LEU 48 9.022 11.289 6.169 344 3HD2 LEU 48 3HD2 LEU 48 10.184 10.621 5.021 345 H GLU 49 H GLU 49 13.459 12.708 8.969 346 HA GLU 49 HA GLU 49 12.396 14.822 10.624 347 1HB GLU 49 2HB GLU 49 12.800 12.499 11.515 348 2HB GLU 49 1HB GLU 49 14.523 12.869 11.467 349 1HG GLU 49 2HG GLU 49 13.903 14.956 12.832 350 2HG GLU 49 1HG GLU 49 12.385 14.130 13.147 351 H HIS 50 H HIS 50 15.398 14.030 9.039 352 HA HIS 50 HA HIS 50 16.784 16.253 10.270 353 1HB HIS 50 2HB HIS 50 17.515 14.214 8.163 354 2HB HIS 50 1HB HIS 50 18.544 15.607 8.469 355 HD1 HIS 50 1HD HIS 50 19.486 15.780 10.994 356 HD2 HIS 50 2HD HIS 50 17.879 12.118 9.863 357 HE1 HIS 50 1HE HIS 50 20.332 14.123 12.686 358 HE2 HIS 50 2HE HIS 50 19.275 11.930 12.032 359 H CYS 51 H CYS 51 14.427 16.064 7.947 360 HA CYS 51 HA CYS 51 15.506 18.180 6.241 361 1HB CYS 51 2HB CYS 51 14.309 16.359 5.065 362 2HB CYS 51 1HB CYS 51 12.903 16.596 6.098 363 HG CYS 51 HG CYS 51 12.759 17.805 3.667 364 H ILE 52 H ILE 52 12.744 17.362 8.247 365 HA ILE 52 HA ILE 52 11.549 19.897 8.372 366 HB ILE 52 HB ILE 52 10.265 18.022 9.015 367 1HG1 ILE 52 2HG1 ILE 52 9.940 20.125 10.349 368 2HG1 ILE 52 1HG1 ILE 52 9.257 18.654 11.015 369 1HG2 ILE 52 1HG2 ILE 52 11.468 17.176 11.481 370 2HG2 ILE 52 2HG2 ILE 52 12.572 17.016 10.127 371 3HG2 ILE 52 3HG2 ILE 52 10.998 16.242 10.065 372 1HD1 ILE 52 1HD1 ILE 52 10.965 20.516 12.215 373 2HD1 ILE 52 2HD1 ILE 52 11.842 18.992 12.057 374 3HD1 ILE 52 3HD1 ILE 52 10.286 19.034 12.888 375 H LYS 53 H LYS 53 14.006 18.341 10.360 376 HA LYS 53 HA LYS 53 14.176 20.496 12.232 377 1HB LYS 53 2HB LYS 53 16.119 18.238 11.752 378 2HB LYS 53 1HB LYS 53 16.008 19.232 13.194 379 1HG LYS 53 2HG LYS 53 13.576 17.762 12.355 380 2HG LYS 53 1HG LYS 53 14.909 16.825 13.027 381 1HD LYS 53 2HD LYS 53 14.045 17.319 15.005 382 2HD LYS 53 1HD LYS 53 14.697 18.930 14.754 383 1HE LYS 53 2HE LYS 53 12.594 19.664 13.826 384 2HE LYS 53 1HE LYS 53 11.935 18.038 13.972 385 1HZ LYS 53 1HZ LYS 53 12.021 18.186 16.330 386 2HZ LYS 53 2HZ LYS 53 11.261 19.591 15.771 387 3HZ LYS 53 3HZ LYS 53 12.873 19.647 16.281 388 H ARG 54 H ARG 54 15.794 19.653 9.252 389 HA ARG 54 HA ARG 54 18.059 21.324 9.559 390 1HB ARG 54 2HB ARG 54 16.788 19.812 7.379 391 2HB ARG 54 1HB ARG 54 17.651 21.246 6.844 392 1HG ARG 54 2HG ARG 54 19.044 19.459 8.744 393 2HG ARG 54 1HG ARG 54 18.826 18.883 7.093 394 1HD ARG 54 2HD ARG 54 19.714 21.632 7.126 395 2HD ARG 54 1HD ARG 54 20.812 20.604 8.043 396 HE ARG 54 HE ARG 54 20.146 19.449 5.528 397 1HH1 ARG 54 1HH1 ARG 54 22.178 21.872 7.025 398 2HH1 ARG 54 2HH1 ARG 54 23.382 21.802 5.784 399 1HH2 ARG 54 1HH2 ARG 54 21.734 19.362 3.902 400 2HH2 ARG 54 2HH2 ARG 54 23.130 20.380 4.013 401 H LEU 55 H LEU 55 14.967 21.802 7.890 402 HA LEU 55 HA LEU 55 15.451 24.425 7.021 403 1HB LEU 55 2HB LEU 55 12.772 23.236 7.735 404 2HB LEU 55 1HB LEU 55 13.078 24.571 6.639 405 HG LEU 55 HG LEU 55 14.228 21.857 6.083 406 1HD1 LEU 55 1HD1 LEU 55 11.540 22.788 5.116 407 2HD1 LEU 55 2HD1 LEU 55 11.762 21.668 6.459 408 3HD1 LEU 55 3HD1 LEU 55 12.309 21.225 4.842 409 1HD2 LEU 55 1HD2 LEU 55 13.269 23.727 4.007 410 2HD2 LEU 55 2HD2 LEU 55 14.678 22.666 4.021 411 3HD2 LEU 55 3HD2 LEU 55 14.712 24.190 4.909 412 H THR 56 H THR 56 13.864 23.205 9.942 413 HA THR 56 HA THR 56 13.259 25.748 11.034 414 HB THR 56 HB THR 56 12.759 24.584 13.069 415 HG1 THR 56 1HG THR 56 14.221 23.172 13.607 416 1HG2 THR 56 1HG2 THR 56 10.990 23.941 11.835 417 2HG2 THR 56 2HG2 THR 56 11.724 22.351 12.041 418 3HG2 THR 56 3HG2 THR 56 11.986 23.258 10.552 419 H ALA 57 H ALA 57 16.036 23.619 11.172 420 HA ALA 57 HA ALA 57 17.447 24.947 13.222 421 1HB ALA 57 1HB ALA 57 19.466 23.856 12.151 422 2HB ALA 57 2HB ALA 57 18.360 23.207 10.940 423 3HB ALA 57 3HB ALA 57 18.170 22.764 12.635 424 H LEU 58 H LEU 58 17.127 25.462 9.773 425 HA LEU 58 HA LEU 58 19.208 27.372 9.524 426 1HB LEU 58 2HB LEU 58 17.039 26.287 7.875 427 2HB LEU 58 1HB LEU 58 17.423 27.956 7.522 428 HG LEU 58 HG LEU 58 19.827 27.246 7.238 429 1HD1 LEU 58 1HD1 LEU 58 19.160 24.990 8.484 430 2HD1 LEU 58 2HD1 LEU 58 20.484 25.078 7.322 431 3HD1 LEU 58 3HD1 LEU 58 18.910 24.462 6.819 432 1HD2 LEU 58 1HD2 LEU 58 17.858 27.401 5.446 433 2HD2 LEU 58 2HD2 LEU 58 18.253 25.691 5.271 434 3HD2 LEU 58 3HD2 LEU 58 19.498 26.914 5.018 435 H ASN 59 H ASN 59 15.682 27.866 9.284 436 HA ASN 59 HA ASN 59 15.137 29.644 11.228 437 1HB ASN 59 2HB ASN 59 15.356 31.907 10.030 438 2HB ASN 59 1HB ASN 59 16.809 31.220 10.743 439 1HD2 ASN 59 1HD2 ASN 59 17.570 32.930 9.111 440 2HD2 ASN 59 2HD2 ASN 59 17.972 32.331 7.541 441 H LYS 60 H LYS 60 14.938 29.777 7.679 442 HA LYS 60 HA LYS 60 11.996 29.736 7.906 443 1HB LYS 60 2HB LYS 60 13.648 31.832 6.858 444 2HB LYS 60 1HB LYS 60 12.711 31.140 5.541 445 1HG LYS 60 2HG LYS 60 10.780 31.982 6.301 446 2HG LYS 60 1HG LYS 60 11.179 31.649 7.988 447 1HD LYS 60 2HD LYS 60 12.789 33.762 6.731 448 2HD LYS 60 1HD LYS 60 11.071 34.132 6.882 449 1HE LYS 60 2HE LYS 60 12.072 34.926 8.863 450 2HE LYS 60 1HE LYS 60 11.270 33.419 9.303 451 1HZ LYS 60 1HZ LYS 60 13.534 32.360 8.885 452 2HZ LYS 60 2HZ LYS 60 13.352 33.278 10.294 453 3HZ LYS 60 3HZ LYS 60 14.157 33.931 8.957 454 HA PRO 61 HA PRO 61 10.383 29.919 6.277 455 1HB PRO 61 2HB PRO 61 8.693 27.685 5.649 456 2HB PRO 61 1HB PRO 61 8.879 29.208 4.787 457 1HG PRO 61 2HG PRO 61 9.687 26.772 3.806 458 2HG PRO 61 1HG PRO 61 10.369 28.328 3.302 459 1HD PRO 61 2HD PRO 61 11.457 26.315 5.224 460 2HD PRO 61 1HD PRO 61 12.311 27.323 4.040 461 H PHE 62 H PHE 62 8.073 28.704 7.276 462 HA PHE 62 HA PHE 62 9.035 27.793 9.894 463 1HB PHE 62 2HB PHE 62 7.674 29.840 9.882 464 2HB PHE 62 1HB PHE 62 6.356 28.963 9.113 465 HD1 PHE 62 1HD PHE 62 8.169 29.556 12.220 466 HD2 PHE 62 2HD PHE 62 5.037 27.355 10.364 467 HE1 PHE 62 1HE PHE 62 7.300 28.934 14.436 468 HE2 PHE 62 2HE PHE 62 4.160 26.728 12.576 469 HZ PHE 62 HZ PHE 62 5.292 27.518 14.616 470 H LYS 63 H LYS 63 6.003 27.282 8.072 471 HA LYS 63 HA LYS 63 5.915 24.549 9.078 472 1HB LYS 63 2HB LYS 63 3.955 26.408 8.729 473 2HB LYS 63 1HB LYS 63 3.777 25.455 7.262 474 1HG LYS 63 2HG LYS 63 4.006 23.532 9.209 475 2HG LYS 63 1HG LYS 63 3.085 24.805 10.013 476 1HD LYS 63 2HD LYS 63 1.266 24.478 8.720 477 2HD LYS 63 1HD LYS 63 2.227 24.192 7.267 478 1HE LYS 63 2HE LYS 63 2.690 21.930 7.972 479 2HE LYS 63 1HE LYS 63 1.870 22.205 9.507 480 1HZ LYS 63 1HZ LYS 63 0.701 21.104 7.390 481 2HZ LYS 63 2HZ LYS 63 0.295 22.725 7.125 482 3HZ LYS 63 3HZ LYS 63 -0.146 21.969 8.573 483 H TYR 64 H TYR 64 6.814 22.959 7.958 484 HA TYR 64 HA TYR 64 6.625 23.057 5.022 485 1HB TYR 64 2HB TYR 64 9.020 21.658 5.634 486 2HB TYR 64 1HB TYR 64 8.839 23.175 4.768 487 HD1 TYR 64 1HD TYR 64 8.692 22.071 8.342 488 HD2 TYR 64 2HD TYR 64 10.217 24.839 5.505 489 HE1 TYR 64 1HE TYR 64 9.888 23.238 10.139 490 HE2 TYR 64 2HE TYR 64 11.430 26.018 7.292 491 HH TYR 64 HH TYR 64 10.831 26.018 10.223 492 H VAL 65 H VAL 65 6.506 21.111 3.954 493 HA VAL 65 HA VAL 65 5.795 18.826 5.640 494 HB VAL 65 HB VAL 65 4.352 20.081 3.575 495 1HG1 VAL 65 1HG1 VAL 65 5.477 18.764 1.864 496 2HG1 VAL 65 2HG1 VAL 65 3.821 18.198 2.052 497 3HG1 VAL 65 3HG1 VAL 65 5.150 17.282 2.758 498 1HG2 VAL 65 1HG2 VAL 65 2.617 18.916 4.353 499 2HG2 VAL 65 2HG2 VAL 65 3.744 18.710 5.695 500 3HG2 VAL 65 3HG2 VAL 65 3.539 17.421 4.507 501 H VAL 66 H VAL 66 6.865 16.877 5.297 502 HA VAL 66 HA VAL 66 8.714 16.797 3.011 503 HB VAL 66 HB VAL 66 9.597 15.656 5.635 504 1HG1 VAL 66 1HG1 VAL 66 11.772 15.833 4.648 505 2HG1 VAL 66 2HG1 VAL 66 11.133 16.770 3.298 506 3HG1 VAL 66 3HG1 VAL 66 10.692 15.075 3.478 507 1HG2 VAL 66 1HG2 VAL 66 9.059 18.054 6.024 508 2HG2 VAL 66 2HG2 VAL 66 10.175 18.478 4.725 509 3HG2 VAL 66 3HG2 VAL 66 10.777 17.690 6.182 510 H THR 67 H THR 67 8.175 15.129 1.787 511 HA THR 67 HA THR 67 7.661 12.560 3.096 512 HB THR 67 HB THR 67 5.453 13.279 2.605 513 HG1 THR 67 1HG THR 67 5.655 11.194 1.946 514 1HG2 THR 67 1HG2 THR 67 4.867 14.652 0.979 515 2HG2 THR 67 2HG2 THR 67 5.609 13.626 -0.250 516 3HG2 THR 67 3HG2 THR 67 6.584 14.818 0.611 517 H CYS 68 H CYS 68 8.360 10.750 1.983 518 HA CYS 68 HA CYS 68 9.600 11.198 -0.624 519 1HB CYS 68 2HB CYS 68 11.370 11.530 1.043 520 2HB CYS 68 1HB CYS 68 11.031 9.944 1.715 521 HG CYS 68 HG CYS 68 13.103 10.034 -0.038 522 H ILE 69 H ILE 69 9.356 9.606 -2.003 523 HA ILE 69 HA ILE 69 8.290 7.041 -1.035 524 HB ILE 69 HB ILE 69 7.877 8.463 -3.670 525 1HG1 ILE 69 2HG1 ILE 69 5.441 8.240 -2.904 526 2HG1 ILE 69 1HG1 ILE 69 6.104 7.857 -1.319 527 1HG2 ILE 69 1HG2 ILE 69 7.420 5.644 -2.910 528 2HG2 ILE 69 2HG2 ILE 69 7.782 6.352 -4.485 529 3HG2 ILE 69 3HG2 ILE 69 6.144 6.439 -3.834 530 1HD1 ILE 69 1HD1 ILE 69 6.346 10.007 -0.878 531 2HD1 ILE 69 2HD1 ILE 69 5.610 10.386 -2.436 532 3HD1 ILE 69 3HD1 ILE 69 7.361 10.217 -2.305 533 H ILE 70 H ILE 70 9.634 5.367 -1.228 534 HA ILE 70 HA ILE 70 12.015 5.634 -2.897 535 HB ILE 70 HB ILE 70 12.793 3.587 -1.720 536 1HG1 ILE 70 2HG1 ILE 70 10.758 3.828 0.392 537 2HG1 ILE 70 1HG1 ILE 70 10.143 3.193 -1.130 538 1HG2 ILE 70 1HG2 ILE 70 13.115 6.019 -0.943 539 2HG2 ILE 70 2HG2 ILE 70 13.469 4.719 0.196 540 3HG2 ILE 70 3HG2 ILE 70 11.953 5.613 0.321 541 1HD1 ILE 70 1HD1 ILE 70 10.789 1.235 -0.254 542 2HD1 ILE 70 2HD1 ILE 70 11.962 1.983 0.829 543 3HD1 ILE 70 3HD1 ILE 70 12.372 1.714 -0.865 544 H MET 71 H MET 71 12.563 4.262 -4.531 545 HA MET 71 HA MET 71 10.550 2.264 -5.328 546 1HB MET 71 2HB MET 71 11.818 4.451 -6.873 547 2HB MET 71 1HB MET 71 11.666 2.908 -7.702 548 1HG MET 71 2HG MET 71 9.262 2.911 -7.257 549 2HG MET 71 1HG MET 71 9.419 4.464 -6.442 550 1HE MET 71 1HE MET 71 8.992 3.618 -10.838 551 2HE MET 71 2HE MET 71 8.821 2.538 -9.455 552 3HE MET 71 3HE MET 71 10.419 2.869 -10.122 553 H GLN 72 H GLN 72 11.570 0.461 -4.591 554 HA GLN 72 HA GLN 72 14.378 0.023 -4.903 555 1HB GLN 72 2HB GLN 72 13.040 -0.960 -3.060 556 2HB GLN 72 1HB GLN 72 12.202 -1.966 -4.233 557 1HG GLN 72 2HG GLN 72 14.658 -2.699 -4.846 558 2HG GLN 72 1HG GLN 72 14.975 -2.166 -3.195 559 1HE2 GLN 72 1HE2 GLN 72 15.261 -4.807 -4.083 560 2HE2 GLN 72 2HE2 GLN 72 14.103 -5.787 -3.259 561 H LYS 73 H LYS 73 15.450 -1.351 -6.297 562 HA LYS 73 HA LYS 73 15.920 -2.369 -8.270 563 1HB LYS 73 2HB LYS 73 13.798 -3.750 -7.160 564 2HB LYS 73 1HB LYS 73 13.246 -3.434 -8.798 565 1HG LYS 73 2HG LYS 73 14.333 -5.340 -9.255 566 2HG LYS 73 1HG LYS 73 15.752 -4.291 -9.294 567 1HD LYS 73 2HD LYS 73 16.018 -4.779 -6.826 568 2HD LYS 73 1HD LYS 73 14.792 -6.032 -7.033 569 1HE LYS 73 2HE LYS 73 16.394 -6.741 -9.023 570 2HE LYS 73 1HE LYS 73 17.592 -5.918 -8.026 571 1HZ LYS 73 1HZ LYS 73 16.885 -7.352 -6.160 572 2HZ LYS 73 2HZ LYS 73 17.554 -8.221 -7.447 573 3HZ LYS 73 3HZ LYS 73 15.878 -8.203 -7.221 574 H ASN 74 H ASN 74 14.469 -2.847 -10.568 575 HA ASN 74 HA ASN 74 13.423 -0.210 -11.338 576 1HB ASN 74 2HB ASN 74 14.623 -0.529 -13.548 577 2HB ASN 74 1HB ASN 74 15.656 -0.181 -12.165 578 1HD2 ASN 74 1HD2 ASN 74 15.170 -2.176 -14.776 579 2HD2 ASN 74 2HD2 ASN 74 16.226 -3.469 -14.329 580 H GLY 75 H GLY 75 11.942 -2.540 -10.660 581 1HA GLY 75 2HA GLY 75 10.619 -2.999 -13.247 582 2HA GLY 75 1HA GLY 75 11.024 -4.377 -12.233 583 H ALA 76 H ALA 76 9.865 -1.233 -11.127 584 HA ALA 76 HA ALA 76 7.364 -2.534 -10.265 585 1HB ALA 76 1HB ALA 76 7.486 -1.623 -8.162 586 2HB ALA 76 2HB ALA 76 8.516 -0.289 -8.680 587 3HB ALA 76 3HB ALA 76 9.194 -1.907 -8.492 588 H GLY 77 H GLY 77 5.483 -1.411 -10.542 589 1HA GLY 77 2HA GLY 77 5.724 1.253 -11.809 590 2HA GLY 77 1HA GLY 77 4.567 0.046 -12.349 591 H LEU 78 H LEU 78 5.062 2.711 -10.364 592 HA LEU 78 HA LEU 78 2.422 2.324 -9.154 593 1HB LEU 78 2HB LEU 78 4.014 1.698 -7.435 594 2HB LEU 78 1HB LEU 78 4.904 3.189 -7.675 595 HG LEU 78 HG LEU 78 2.042 3.427 -6.919 596 1HD1 LEU 78 1HD1 LEU 78 3.460 1.641 -5.491 597 2HD1 LEU 78 2HD1 LEU 78 2.210 2.677 -4.800 598 3HD1 LEU 78 3HD1 LEU 78 3.909 3.132 -4.660 599 1HD2 LEU 78 1HD2 LEU 78 3.397 5.152 -5.386 600 2HD2 LEU 78 2HD2 LEU 78 2.911 5.513 -7.043 601 3HD2 LEU 78 3HD2 LEU 78 4.554 4.969 -6.705 602 H HIS 79 H HIS 79 1.206 3.937 -9.866 603 HA HIS 79 HA HIS 79 2.451 6.528 -10.441 604 1HB HIS 79 2HB HIS 79 0.021 5.111 -11.435 605 2HB HIS 79 1HB HIS 79 0.009 6.872 -11.428 606 HD1 HIS 79 1HD HIS 79 1.655 8.074 -13.040 607 HD2 HIS 79 2HD HIS 79 1.676 3.929 -13.342 608 HE1 HIS 79 1HE HIS 79 2.891 7.561 -15.170 609 HE2 HIS 79 2HE HIS 79 2.812 5.051 -15.377 610 H THR 80 H THR 80 2.197 8.170 -9.087 611 HA THR 80 HA THR 80 0.172 7.962 -6.981 612 HB THR 80 HB THR 80 2.562 9.802 -7.216 613 HG1 THR 80 1HG THR 80 2.131 7.381 -5.828 614 1HG2 THR 80 1HG2 THR 80 0.402 9.605 -5.213 615 2HG2 THR 80 2HG2 THR 80 1.377 10.990 -5.708 616 3HG2 THR 80 3HG2 THR 80 2.048 9.784 -4.609 617 H ALA 81 H ALA 81 -1.181 9.730 -6.449 618 HA ALA 81 HA ALA 81 -1.423 11.815 -8.515 619 1HB ALA 81 1HB ALA 81 -3.079 9.939 -8.873 620 2HB ALA 81 2HB ALA 81 -3.771 11.552 -8.702 621 3HB ALA 81 3HB ALA 81 -3.824 10.423 -7.349 622 H ALA 82 H ALA 82 -2.263 13.805 -7.793 623 HA ALA 82 HA ALA 82 -3.128 14.095 -5.074 624 1HB ALA 82 1HB ALA 82 -1.298 15.739 -4.512 625 2HB ALA 82 2HB ALA 82 -0.415 15.065 -5.882 626 3HB ALA 82 3HB ALA 82 -0.856 14.032 -4.522 627 H SER 83 H SER 83 -4.344 15.796 -4.754 628 HA SER 83 HA SER 83 -4.285 18.068 -6.583 629 1HB SER 83 2HB SER 83 -5.969 16.230 -7.309 630 2HB SER 83 1HB SER 83 -6.912 16.752 -5.915 631 HG SER 83 HG SER 83 -6.883 17.838 -8.296 632 H CYS 84 H CYS 84 -4.168 19.815 -5.316 633 HA CYS 84 HA CYS 84 -5.512 19.734 -2.697 634 1HB CYS 84 2HB CYS 84 -3.140 21.446 -3.312 635 2HB CYS 84 1HB CYS 84 -3.785 21.010 -1.740 636 HG CYS 84 HG CYS 84 -2.800 18.534 -3.086 637 H TRP 85 H TRP 85 -6.223 21.790 -1.829 638 HA TRP 85 HA TRP 85 -7.684 23.297 -3.766 639 1HB TRP 85 2HB TRP 85 -8.008 22.748 -1.104 640 2HB TRP 85 1HB TRP 85 -7.442 24.414 -1.044 641 HD1 TRP 85 HD TRP 85 -10.241 22.320 -2.639 642 HE1 TRP 85 1HE TRP 85 -12.291 23.817 -2.981 643 HE3 TRP 85 3HE TRP 85 -8.231 26.767 -1.152 644 HZ2 TRP 85 2HZ TRP 85 -12.978 26.543 -2.659 645 HZ3 TRP 85 3HZ TRP 85 -9.650 28.777 -1.196 646 HH2 TRP 85 HH TRP 85 -11.974 28.666 -1.935 647 H TRP 86 H TRP 86 -7.650 25.863 -3.204 648 HA TRP 86 HA TRP 86 -5.004 26.706 -4.038 649 1HB TRP 86 2HB TRP 86 -7.678 28.079 -3.881 650 2HB TRP 86 1HB TRP 86 -6.201 28.979 -4.204 651 HD1 TRP 86 HD TRP 86 -5.213 26.208 -6.010 652 HE1 TRP 86 1HE TRP 86 -6.024 26.181 -8.452 653 HE3 TRP 86 3HE TRP 86 -8.994 29.633 -5.650 654 HZ2 TRP 86 2HZ TRP 86 -8.002 27.445 -10.020 655 HZ3 TRP 86 3HZ TRP 86 -10.296 30.167 -7.668 656 HH2 TRP 86 HH TRP 86 -9.809 29.095 -9.807 657 H ASP 87 H ASP 87 -3.651 28.067 -2.948 658 HA ASP 87 HA ASP 87 -4.280 29.564 -0.670 659 1HB ASP 87 2HB ASP 87 -4.294 26.933 0.013 660 2HB ASP 87 1HB ASP 87 -2.605 27.334 0.307 661 H SER 88 H SER 88 -2.926 31.151 -1.228 662 HA SER 88 HA SER 88 -0.378 30.713 -2.414 663 1HB SER 88 2HB SER 88 -1.933 33.075 -1.488 664 2HB SER 88 1HB SER 88 -0.189 33.274 -1.657 665 HG SER 88 HG SER 88 -0.428 33.284 -3.737 666 H THR 89 H THR 89 -1.492 31.173 0.862 667 HA THR 89 HA THR 89 1.030 31.789 2.011 668 HB THR 89 HB THR 89 -1.109 32.277 3.134 669 HG1 THR 89 1HG THR 89 -0.209 32.033 5.027 670 1HG2 THR 89 1HG2 THR 89 -1.334 29.396 3.892 671 2HG2 THR 89 2HG2 THR 89 -2.165 30.039 2.473 672 3HG2 THR 89 3HG2 THR 89 -2.514 30.693 4.074 673 H THR 90 H THR 90 -0.803 28.771 1.696 674 HA THR 90 HA THR 90 1.502 27.254 2.640 675 HB THR 90 HB THR 90 -0.324 25.361 2.425 676 HG1 THR 90 1HG THR 90 -2.414 26.245 2.754 677 1HG2 THR 90 1HG2 THR 90 0.250 27.257 4.531 678 2HG2 THR 90 2HG2 THR 90 -0.045 25.520 4.619 679 3HG2 THR 90 3HG2 THR 90 -1.402 26.646 4.612 680 H ASP 91 H ASP 91 2.413 28.053 0.439 681 HA ASP 91 HA ASP 91 1.889 25.926 -1.505 682 1HB ASP 91 2HB ASP 91 0.952 28.404 -1.961 683 2HB ASP 91 1HB ASP 91 2.574 28.581 -2.624 684 H GLY 92 H GLY 92 3.731 24.793 -1.142 685 1HA GLY 92 2HA GLY 92 6.173 25.964 -2.189 686 2HA GLY 92 1HA GLY 92 6.239 25.495 -0.499 687 H SER 93 H SER 93 4.237 23.579 -2.560 688 HA SER 93 HA SER 93 5.652 21.225 -1.999 689 1HB SER 93 2HB SER 93 4.149 20.309 -3.912 690 2HB SER 93 1HB SER 93 3.393 20.891 -2.430 691 HG SER 93 HG SER 93 2.668 22.638 -3.458 692 H ARG 94 H ARG 94 7.463 20.472 -2.791 693 HA ARG 94 HA ARG 94 8.032 20.693 -5.648 694 1HB ARG 94 2HB ARG 94 10.177 21.417 -3.658 695 2HB ARG 94 1HB ARG 94 10.188 21.643 -5.401 696 1HG ARG 94 2HG ARG 94 8.195 23.229 -4.979 697 2HG ARG 94 1HG ARG 94 8.755 23.222 -3.306 698 1HD ARG 94 2HD ARG 94 11.080 23.696 -4.474 699 2HD ARG 94 1HD ARG 94 10.036 24.339 -5.741 700 HE ARG 94 HE ARG 94 10.534 25.484 -3.153 701 1HH1 ARG 94 1HH1 ARG 94 8.281 25.340 -5.826 702 2HH1 ARG 94 2HH1 ARG 94 7.565 26.873 -5.462 703 1HH2 ARG 94 1HH2 ARG 94 9.588 27.498 -2.682 704 2HH2 ARG 94 2HH2 ARG 94 8.306 28.096 -3.681 705 H THR 95 H THR 95 8.909 18.798 -6.418 706 HA THR 95 HA THR 95 9.675 16.823 -4.386 707 HB THR 95 HB THR 95 7.725 16.264 -5.789 708 HG1 THR 95 1HG THR 95 8.323 14.283 -5.543 709 1HG2 THR 95 1HG2 THR 95 7.769 15.973 -8.027 710 2HG2 THR 95 2HG2 THR 95 9.503 15.644 -8.065 711 3HG2 THR 95 3HG2 THR 95 8.922 17.300 -7.882 712 H VAL 96 H VAL 96 11.432 15.425 -4.683 713 HA VAL 96 HA VAL 96 13.397 16.246 -6.717 714 HB VAL 96 HB VAL 96 14.120 15.609 -3.855 715 1HG1 VAL 96 1HG1 VAL 96 16.238 16.908 -4.808 716 2HG1 VAL 96 2HG1 VAL 96 15.644 16.225 -6.322 717 3HG1 VAL 96 3HG1 VAL 96 16.047 15.162 -4.973 718 1HG2 VAL 96 1HG2 VAL 96 12.937 17.687 -3.828 719 2HG2 VAL 96 2HG2 VAL 96 13.840 18.277 -5.224 720 3HG2 VAL 96 3HG2 VAL 96 14.660 18.034 -3.682 721 H ARG 97 H ARG 97 13.838 14.525 -7.942 722 HA ARG 97 HA ARG 97 13.538 11.847 -6.806 723 1HB ARG 97 2HB ARG 97 12.394 12.381 -8.939 724 2HB ARG 97 1HB ARG 97 13.958 12.684 -9.681 725 1HG ARG 97 2HG ARG 97 13.924 10.552 -10.302 726 2HG ARG 97 1HG ARG 97 14.257 10.166 -8.614 727 1HD ARG 97 2HD ARG 97 12.186 9.370 -8.262 728 2HD ARG 97 1HD ARG 97 11.428 10.654 -9.203 729 HE ARG 97 HE ARG 97 12.810 8.688 -10.788 730 1HH1 ARG 97 1HH1 ARG 97 9.772 9.536 -9.275 731 2HH1 ARG 97 2HH1 ARG 97 8.829 8.549 -10.340 732 1HH2 ARG 97 1HH2 ARG 97 11.565 7.395 -12.182 733 2HH2 ARG 97 2HH2 ARG 97 9.844 7.335 -11.987 734 H TRP 98 H TRP 98 15.290 10.928 -5.972 735 HA TRP 98 HA TRP 98 17.920 11.699 -6.964 736 1HB TRP 98 2HB TRP 98 16.864 10.978 -4.401 737 2HB TRP 98 1HB TRP 98 18.131 9.845 -4.810 738 HD1 TRP 98 HD TRP 98 18.351 11.818 -2.387 739 HE1 TRP 98 1HE TRP 98 20.283 13.502 -2.248 740 HE3 TRP 98 3HE TRP 98 19.663 12.070 -7.368 741 HZ2 TRP 98 2HZ TRP 98 22.077 14.779 -3.960 742 HZ3 TRP 98 3HZ TRP 98 21.498 13.557 -7.999 743 HH2 TRP 98 HH TRP 98 22.687 14.883 -6.334 744 H GLU 99 H GLU 99 19.375 10.213 -7.832 745 HA GLU 99 HA GLU 99 18.606 7.418 -8.034 746 1HB GLU 99 2HB GLU 99 18.565 9.334 -10.282 747 2HB GLU 99 1HB GLU 99 19.389 7.815 -10.605 748 1HG GLU 99 2HG GLU 99 17.213 6.786 -9.562 749 2HG GLU 99 1HG GLU 99 16.520 8.336 -10.038 750 H ASN 100 H ASN 100 20.339 6.104 -7.913 751 HA ASN 100 HA ASN 100 22.987 7.299 -8.399 752 1HB ASN 100 2HB ASN 100 23.690 5.583 -6.494 753 2HB ASN 100 1HB ASN 100 23.151 7.216 -6.122 754 1HD2 ASN 100 1HD2 ASN 100 22.205 6.967 -4.203 755 2HD2 ASN 100 2HD2 ASN 100 20.892 5.893 -3.873 756 H LYS 101 H LYS 101 22.358 3.981 -7.335 757 HA LYS 101 HA LYS 101 23.817 3.013 -9.640 758 1HB LYS 101 2HB LYS 101 24.352 2.071 -7.474 759 2HB LYS 101 1HB LYS 101 22.678 1.605 -7.220 760 1HG LYS 101 2HG LYS 101 23.759 0.480 -9.666 761 2HG LYS 101 1HG LYS 101 24.705 0.025 -8.247 762 1HD LYS 101 2HD LYS 101 21.706 -0.233 -8.393 763 2HD LYS 101 1HD LYS 101 22.813 -1.533 -8.836 764 1HE LYS 101 2HE LYS 101 23.824 -1.277 -6.532 765 2HE LYS 101 1HE LYS 101 22.452 -0.240 -6.144 766 1HZ LYS 101 1HZ LYS 101 21.713 -2.277 -5.444 767 2HZ LYS 101 2HZ LYS 101 22.503 -3.129 -6.673 768 3HZ LYS 101 3HZ LYS 101 21.097 -2.255 -7.020 769 H SER 102 H SER 102 20.680 2.278 -8.136 770 HA SER 102 HA SER 102 19.452 2.027 -10.746 771 1HB SER 102 2HB SER 102 20.336 -0.224 -10.451 772 2HB SER 102 1HB SER 102 19.602 -0.330 -8.851 773 HG SER 102 HG SER 102 18.321 -0.245 -11.370 774 H MET 103 H MET 103 19.073 1.515 -7.256 775 HA MET 103 HA MET 103 16.285 1.784 -7.154 776 1HB MET 103 2HB MET 103 18.342 2.475 -5.048 777 2HB MET 103 1HB MET 103 16.617 2.300 -4.758 778 1HG MET 103 2HG MET 103 16.762 -0.050 -5.477 779 2HG MET 103 1HG MET 103 18.503 0.143 -5.674 780 1HE MET 103 1HE MET 103 19.653 1.606 -3.813 781 2HE MET 103 2HE MET 103 19.809 0.855 -2.226 782 3HE MET 103 3HE MET 103 18.639 2.150 -2.478 783 H TYR 104 H TYR 104 14.956 3.540 -6.642 784 HA TYR 104 HA TYR 104 16.172 6.183 -7.147 785 1HB TYR 104 2HB TYR 104 13.267 5.571 -7.652 786 2HB TYR 104 1HB TYR 104 14.251 6.866 -8.318 787 HD1 TYR 104 1HD TYR 104 15.019 6.667 -10.488 788 HD2 TYR 104 2HD TYR 104 14.013 3.135 -8.342 789 HE1 TYR 104 1HE TYR 104 15.418 5.329 -12.513 790 HE2 TYR 104 2HE TYR 104 14.411 1.787 -10.359 791 HH TYR 104 HH TYR 104 14.321 2.503 -13.097 792 H CYS 105 H CYS 105 15.354 7.961 -5.955 793 HA CYS 105 HA CYS 105 13.598 7.335 -3.699 794 1HB CYS 105 2HB CYS 105 16.407 8.388 -3.523 795 2HB CYS 105 1HB CYS 105 15.223 8.786 -2.282 796 HG CYS 105 HG CYS 105 15.572 5.786 -2.778 797 H ILE 106 H ILE 106 11.935 8.629 -4.277 798 HA ILE 106 HA ILE 106 12.509 11.377 -5.103 799 HB ILE 106 HB ILE 106 10.971 10.269 -6.557 800 1HG1 ILE 106 2HG1 ILE 106 8.978 11.822 -4.988 801 2HG1 ILE 106 1HG1 ILE 106 10.426 12.675 -5.512 802 1HG2 ILE 106 1HG2 ILE 106 10.156 8.459 -5.351 803 2HG2 ILE 106 2HG2 ILE 106 8.737 9.473 -5.606 804 3HG2 ILE 106 3HG2 ILE 106 9.553 9.475 -4.044 805 1HD1 ILE 106 1HD1 ILE 106 9.948 12.113 -7.817 806 2HD1 ILE 106 2HD1 ILE 106 8.572 12.933 -7.079 807 3HD1 ILE 106 3HD1 ILE 106 8.534 11.185 -7.314 808 H CYS 107 H CYS 107 12.418 12.981 -3.676 809 HA CYS 107 HA CYS 107 10.661 12.694 -1.339 810 1HB CYS 107 2HB CYS 107 13.024 12.321 -0.684 811 2HB CYS 107 1HB CYS 107 13.421 13.920 -1.298 812 HG CYS 107 HG CYS 107 12.258 14.990 0.666 813 H THR 108 H THR 108 9.230 14.253 -1.222 814 HA THR 108 HA THR 108 9.807 16.779 -2.601 815 HB THR 108 HB THR 108 7.914 15.348 -3.468 816 HG1 THR 108 1HG THR 108 7.394 17.977 -2.565 817 1HG2 THR 108 1HG2 THR 108 6.640 16.166 -0.870 818 2HG2 THR 108 2HG2 THR 108 6.867 14.534 -1.499 819 3HG2 THR 108 3HG2 THR 108 5.734 15.633 -2.285 820 H VAL 109 H VAL 109 9.635 18.674 -1.599 821 HA VAL 109 HA VAL 109 8.851 18.641 1.232 822 HB VAL 109 HB VAL 109 10.464 20.952 0.378 823 1HG1 VAL 109 1HG1 VAL 109 11.713 20.047 2.521 824 2HG1 VAL 109 2HG1 VAL 109 10.203 19.158 2.725 825 3HG1 VAL 109 3HG1 VAL 109 10.184 20.918 2.632 826 1HG2 VAL 109 1HG2 VAL 109 11.909 19.685 -0.837 827 2HG2 VAL 109 2HG2 VAL 109 11.530 18.203 0.041 828 3HG2 VAL 109 3HG2 VAL 109 12.581 19.416 0.773 829 H PHE 110 H PHE 110 7.071 19.826 1.721 830 HA PHE 110 HA PHE 110 6.222 21.832 -0.243 831 1HB PHE 110 2HB PHE 110 4.489 20.614 1.881 832 2HB PHE 110 1HB PHE 110 3.984 21.733 0.659 833 HD1 PHE 110 1HD PHE 110 6.117 19.452 -0.943 834 HD2 PHE 110 2HD PHE 110 2.216 19.800 0.706 835 HE1 PHE 110 1HE PHE 110 5.360 17.596 -2.352 836 HE2 PHE 110 2HE PHE 110 1.452 17.941 -0.706 837 HZ PHE 110 HZ PHE 110 3.025 16.835 -2.239 838 H GLY 111 H GLY 111 7.206 23.662 0.359 839 1HA GLY 111 2HA GLY 111 7.467 24.400 3.145 840 2HA GLY 111 1HA GLY 111 7.999 25.347 1.759 841 H LEU 112 H LEU 112 5.331 24.587 3.879 842 HA LEU 112 HA LEU 112 3.642 26.545 2.525 843 1HB LEU 112 2HB LEU 112 3.155 24.460 4.625 844 2HB LEU 112 1HB LEU 112 1.966 25.703 4.288 845 HG LEU 112 HG LEU 112 1.511 24.866 2.150 846 1HD1 LEU 112 1HD1 LEU 112 2.840 23.324 0.915 847 2HD1 LEU 112 2HD1 LEU 112 3.941 23.121 2.274 848 3HD1 LEU 112 3HD1 LEU 112 3.864 24.663 1.427 849 1HD2 LEU 112 1HD2 LEU 112 2.185 22.383 3.680 850 2HD2 LEU 112 2HD2 LEU 112 0.956 22.582 2.430 851 3HD2 LEU 112 3HD2 LEU 112 0.764 23.380 3.991 852 H ALA 113 H ALA 113 3.745 28.569 3.077 853 HA ALA 113 HA ALA 113 5.016 29.552 5.393 854 1HB ALA 113 1HB ALA 113 2.986 31.216 3.991 855 2HB ALA 113 2HB ALA 113 4.412 30.690 3.096 856 3HB ALA 113 3HB ALA 113 4.596 31.644 4.568 857 H ILE 114 H ILE 114 4.001 28.336 7.094 858 HA ILE 114 HA ILE 114 2.601 28.108 8.872 859 HB ILE 114 HB ILE 114 1.442 30.777 8.081 860 1HG1 ILE 114 2HG1 ILE 114 3.221 31.413 9.995 861 2HG1 ILE 114 1HG1 ILE 114 4.066 30.048 9.270 862 1HG2 ILE 114 1HG2 ILE 114 0.314 29.346 9.842 863 2HG2 ILE 114 2HG2 ILE 114 0.762 30.982 10.328 864 3HG2 ILE 114 3HG2 ILE 114 1.749 29.611 10.833 865 1HD1 ILE 114 1HD1 ILE 114 3.050 31.884 7.275 866 2HD1 ILE 114 2HD1 ILE 114 4.680 31.255 7.514 867 3HD1 ILE 114 3HD1 ILE 114 4.138 32.667 8.421 868 1H MET 1 1HT MET 1 -18.797 -13.972 -8.677 869 HA MET 1 HA MET 1 -17.866 -12.686 -11.118 870 1HB MET 1 2HB MET 1 -17.880 -12.144 -8.176 871 2HB MET 1 1HB MET 1 -16.541 -11.540 -9.142 872 1HG MET 1 2HG MET 1 -18.183 -10.397 -10.605 873 2HG MET 1 1HG MET 1 -19.459 -10.911 -9.504 874 1HE MET 1 1HE MET 1 -20.474 -9.256 -8.297 875 2HE MET 1 2HE MET 1 -19.971 -7.995 -9.423 876 3HE MET 1 3HE MET 1 -19.789 -7.751 -7.685 877 H GLU 2 H GLU 2 -15.429 -12.480 -11.044 878 HA GLU 2 HA GLU 2 -14.307 -15.128 -10.816 879 1HB GLU 2 2HB GLU 2 -13.864 -13.089 -12.541 880 2HB GLU 2 1HB GLU 2 -12.526 -12.846 -11.427 881 1HG GLU 2 2HG GLU 2 -12.363 -15.515 -11.851 882 2HG GLU 2 1HG GLU 2 -12.980 -14.960 -13.406 883 H GLY 3 H GLY 3 -11.688 -14.684 -10.131 884 1HA GLY 3 2HA GLY 3 -11.820 -14.693 -7.298 885 2HA GLY 3 1HA GLY 3 -10.351 -14.710 -8.261 886 H VAL 4 H VAL 4 -12.903 -12.548 -7.077 887 HA VAL 4 HA VAL 4 -10.872 -10.423 -6.868 888 HB VAL 4 HB VAL 4 -13.794 -9.962 -7.477 889 1HG1 VAL 4 1HG1 VAL 4 -12.257 -8.212 -6.297 890 2HG1 VAL 4 2HG1 VAL 4 -13.317 -7.713 -7.615 891 3HG1 VAL 4 3HG1 VAL 4 -11.602 -7.985 -7.919 892 1HG2 VAL 4 1HG2 VAL 4 -12.960 -10.994 -9.417 893 2HG2 VAL 4 2HG2 VAL 4 -11.415 -10.152 -9.303 894 3HG2 VAL 4 3HG2 VAL 4 -12.873 -9.263 -9.747 895 H ASP 5 H ASP 5 -10.570 -9.732 -4.850 896 HA ASP 5 HA ASP 5 -12.608 -10.357 -2.838 897 1HB ASP 5 2HB ASP 5 -10.185 -11.125 -2.580 898 2HB ASP 5 1HB ASP 5 -9.789 -9.432 -2.298 899 HA PRO 6 HA PRO 6 -13.234 -5.807 -3.501 900 1HB PRO 6 2HB PRO 6 -15.808 -5.883 -2.518 901 2HB PRO 6 1HB PRO 6 -15.383 -6.090 -4.220 902 1HG PRO 6 2HG PRO 6 -15.982 -8.164 -2.151 903 2HG PRO 6 1HG PRO 6 -16.480 -8.100 -3.851 904 1HD PRO 6 2HD PRO 6 -14.467 -9.673 -3.040 905 2HD PRO 6 1HD PRO 6 -14.422 -8.848 -4.612 906 H ALA 7 H ALA 7 -12.253 -4.661 -1.959 907 HA ALA 7 HA ALA 7 -11.812 -3.682 0.053 908 1HB ALA 7 1HB ALA 7 -14.279 -5.026 1.137 909 2HB ALA 7 2HB ALA 7 -14.318 -3.534 0.198 910 3HB ALA 7 3HB ALA 7 -13.476 -3.579 1.746 911 H VAL 8 H VAL 8 -9.945 -4.801 0.457 912 HA VAL 8 HA VAL 8 -10.193 -7.193 2.170 913 HB VAL 8 HB VAL 8 -7.519 -6.738 1.034 914 1HG1 VAL 8 1HG1 VAL 8 -9.315 -9.146 0.939 915 2HG1 VAL 8 2HG1 VAL 8 -8.244 -8.735 2.279 916 3HG1 VAL 8 3HG1 VAL 8 -7.570 -9.102 0.691 917 1HG2 VAL 8 1HG2 VAL 8 -7.877 -7.278 -1.207 918 2HG2 VAL 8 2HG2 VAL 8 -9.044 -6.004 -0.858 919 3HG2 VAL 8 3HG2 VAL 8 -9.571 -7.684 -0.934 920 H GLU 9 H GLU 9 -7.860 -4.653 1.412 921 HA GLU 9 HA GLU 9 -7.104 -4.520 4.234 922 1HB GLU 9 2HB GLU 9 -5.605 -3.103 2.068 923 2HB GLU 9 1HB GLU 9 -5.017 -3.808 3.556 924 1HG GLU 9 2HG GLU 9 -5.484 -6.065 2.556 925 2HG GLU 9 1HG GLU 9 -5.752 -5.229 1.027 926 H GLU 10 H GLU 10 -9.437 -3.406 4.037 927 HA GLU 10 HA GLU 10 -9.703 -0.786 3.145 928 1HB GLU 10 2HB GLU 10 -11.339 -2.594 4.341 929 2HB GLU 10 1HB GLU 10 -11.102 -1.455 5.658 930 1HG GLU 10 2HG GLU 10 -12.397 0.088 4.711 931 2HG GLU 10 1HG GLU 10 -11.696 -0.168 3.114 932 H ALA 11 H ALA 11 -8.700 1.022 3.726 933 HA ALA 11 HA ALA 11 -7.567 1.195 6.442 934 1HB ALA 11 1HB ALA 11 -6.187 1.396 4.141 935 2HB ALA 11 2HB ALA 11 -5.721 2.211 5.634 936 3HB ALA 11 3HB ALA 11 -6.614 3.088 4.392 937 H ALA 12 H ALA 12 -8.006 2.933 7.716 938 HA ALA 12 HA ALA 12 -8.886 5.440 7.159 939 1HB ALA 12 1HB ALA 12 -11.164 3.498 7.034 940 2HB ALA 12 2HB ALA 12 -10.826 4.893 6.009 941 3HB ALA 12 3HB ALA 12 -11.427 5.129 7.652 942 H PHE 13 H PHE 13 -9.986 6.510 9.038 943 HA PHE 13 HA PHE 13 -9.909 4.940 11.499 944 1HB PHE 13 2HB PHE 13 -7.646 6.021 11.094 945 2HB PHE 13 1HB PHE 13 -8.444 7.572 11.324 946 HD1 PHE 13 1HD PHE 13 -7.768 8.443 13.341 947 HD2 PHE 13 2HD PHE 13 -8.776 4.316 13.106 948 HE1 PHE 13 1HE PHE 13 -7.468 8.235 15.775 949 HE2 PHE 13 2HE PHE 13 -8.479 4.100 15.538 950 HZ PHE 13 HZ PHE 13 -7.825 6.061 16.876 951 H VAL 14 H VAL 14 -10.114 8.402 10.657 952 HA VAL 14 HA VAL 14 -12.752 8.469 11.976 953 HB VAL 14 HB VAL 14 -10.782 10.757 11.993 954 1HG1 VAL 14 1HG1 VAL 14 -12.272 11.363 14.007 955 2HG1 VAL 14 2HG1 VAL 14 -13.419 10.220 13.307 956 3HG1 VAL 14 3HG1 VAL 14 -12.901 11.628 12.381 957 1HG2 VAL 14 1HG2 VAL 14 -9.595 9.375 13.353 958 2HG2 VAL 14 2HG2 VAL 14 -11.005 8.410 13.789 959 3HG2 VAL 14 3HG2 VAL 14 -10.747 9.984 14.541 960 H ALA 15 H ALA 15 -14.141 10.285 11.266 961 HA ALA 15 HA ALA 15 -15.153 11.599 9.713 962 1HB ALA 15 1HB ALA 15 -12.640 11.581 8.065 963 2HB ALA 15 2HB ALA 15 -12.823 12.590 9.499 964 3HB ALA 15 3HB ALA 15 -13.909 12.805 8.126 965 H ASP 16 H ASP 16 -16.174 9.358 9.491 966 HA ASP 16 HA ASP 16 -15.638 7.708 7.289 967 1HB ASP 16 2HB ASP 16 -17.138 7.183 9.262 968 2HB ASP 16 1HB ASP 16 -18.369 8.180 8.494 969 H ASP 17 H ASP 17 -17.282 10.760 7.542 970 HA ASP 17 HA ASP 17 -18.844 10.714 5.234 971 1HB ASP 17 2HB ASP 17 -18.581 13.224 5.298 972 2HB ASP 17 1HB ASP 17 -19.149 12.494 6.797 973 H VAL 18 H VAL 18 -15.491 11.798 5.687 974 HA VAL 18 HA VAL 18 -15.106 12.346 2.891 975 HB VAL 18 HB VAL 18 -12.955 12.027 4.981 976 1HG1 VAL 18 1HG1 VAL 18 -12.948 13.813 2.567 977 2HG1 VAL 18 2HG1 VAL 18 -12.403 12.137 2.495 978 3HG1 VAL 18 3HG1 VAL 18 -11.584 13.287 3.553 979 1HG2 VAL 18 1HG2 VAL 18 -13.135 14.439 5.361 980 2HG2 VAL 18 2HG2 VAL 18 -14.627 13.606 5.798 981 3HG2 VAL 18 3HG2 VAL 18 -14.529 14.505 4.284 982 H SER 19 H SER 19 -14.507 9.676 5.067 983 HA SER 19 HA SER 19 -12.699 8.227 3.487 984 1HB SER 19 2HB SER 19 -13.071 6.426 4.943 985 2HB SER 19 1HB SER 19 -13.422 7.840 5.937 986 HG SER 19 HG SER 19 -14.998 5.823 5.519 987 H ASN 20 H ASN 20 -16.247 8.187 3.556 988 HA ASN 20 HA ASN 20 -16.480 6.056 1.683 989 1HB ASN 20 2HB ASN 20 -18.827 6.462 1.711 990 2HB ASN 20 1HB ASN 20 -18.245 6.751 3.346 991 1HD2 ASN 20 1HD2 ASN 20 -18.617 8.672 4.266 992 2HD2 ASN 20 2HD2 ASN 20 -19.348 10.021 3.470 993 H ILE 21 H ILE 21 -16.419 9.569 1.346 994 HA ILE 21 HA ILE 21 -17.317 9.812 -1.278 995 HB ILE 21 HB ILE 21 -15.301 11.445 0.273 996 1HG1 ILE 21 2HG1 ILE 21 -18.172 11.976 -0.500 997 2HG1 ILE 21 1HG1 ILE 21 -17.623 11.445 1.085 998 1HG2 ILE 21 1HG2 ILE 21 -16.451 12.047 -2.448 999 2HG2 ILE 21 2HG2 ILE 21 -14.750 11.860 -2.021 1000 3HG2 ILE 21 3HG2 ILE 21 -15.664 13.243 -1.418 1001 1HD1 ILE 21 1HD1 ILE 21 -16.239 13.822 0.191 1002 2HD1 ILE 21 2HD1 ILE 21 -17.110 13.513 1.694 1003 3HD1 ILE 21 3HD1 ILE 21 -17.986 14.043 0.258 1004 H ILE 22 H ILE 22 -13.946 9.466 -0.155 1005 HA ILE 22 HA ILE 22 -12.769 9.388 -2.683 1006 HB ILE 22 HB ILE 22 -11.921 8.425 0.027 1007 1HG1 ILE 22 2HG1 ILE 22 -11.756 10.793 -0.587 1008 2HG1 ILE 22 1HG1 ILE 22 -10.163 10.090 -0.317 1009 1HG2 ILE 22 1HG2 ILE 22 -10.304 7.930 -2.478 1010 2HG2 ILE 22 2HG2 ILE 22 -11.020 6.690 -1.448 1011 3HG2 ILE 22 3HG2 ILE 22 -9.732 7.721 -0.822 1012 1HD1 ILE 22 1HD1 ILE 22 -10.333 9.698 -2.938 1013 2HD1 ILE 22 2HD1 ILE 22 -9.731 11.201 -2.237 1014 3HD1 ILE 22 3HD1 ILE 22 -11.398 11.094 -2.803 1015 H LYS 23 H LYS 23 -13.746 6.628 -0.625 1016 HA LYS 23 HA LYS 23 -13.064 4.678 -2.515 1017 1HB LYS 23 2HB LYS 23 -14.923 4.659 -0.156 1018 2HB LYS 23 1HB LYS 23 -14.656 3.232 -1.146 1019 1HG LYS 23 2HG LYS 23 -12.352 3.179 -0.597 1020 2HG LYS 23 1HG LYS 23 -12.437 4.770 0.158 1021 1HD LYS 23 2HD LYS 23 -13.256 3.958 2.089 1022 2HD LYS 23 1HD LYS 23 -14.308 2.802 1.273 1023 1HE LYS 23 2HE LYS 23 -12.852 1.143 1.547 1024 2HE LYS 23 1HE LYS 23 -11.502 2.125 0.984 1025 1HZ LYS 23 1HZ LYS 23 -12.539 1.802 3.722 1026 2HZ LYS 23 2HZ LYS 23 -11.682 3.197 3.304 1027 3HZ LYS 23 3HZ LYS 23 -10.946 1.681 3.165 1028 H GLU 24 H GLU 24 -16.150 6.290 -1.847 1029 HA GLU 24 HA GLU 24 -17.706 4.854 -3.703 1030 1HB GLU 24 2HB GLU 24 -17.938 7.552 -2.410 1031 2HB GLU 24 1HB GLU 24 -19.036 7.126 -3.708 1032 1HG GLU 24 2HG GLU 24 -18.692 5.253 -1.419 1033 2HG GLU 24 1HG GLU 24 -19.685 6.697 -1.222 1034 H SER 25 H SER 25 -15.599 7.629 -3.988 1035 HA SER 25 HA SER 25 -16.301 8.367 -6.628 1036 1HB SER 25 2HB SER 25 -15.001 9.743 -4.898 1037 2HB SER 25 1HB SER 25 -13.589 8.800 -5.376 1038 HG SER 25 HG SER 25 -15.161 10.525 -6.980 1039 H ILE 26 H ILE 26 -13.776 6.222 -5.304 1040 HA ILE 26 HA ILE 26 -12.458 5.680 -7.717 1041 HB ILE 26 HB ILE 26 -12.667 4.287 -5.088 1042 1HG1 ILE 26 2HG1 ILE 26 -10.151 4.349 -5.434 1043 2HG1 ILE 26 1HG1 ILE 26 -10.485 5.296 -6.881 1044 1HG2 ILE 26 1HG2 ILE 26 -11.001 2.537 -6.165 1045 2HG2 ILE 26 2HG2 ILE 26 -11.968 2.855 -7.605 1046 3HG2 ILE 26 3HG2 ILE 26 -12.741 2.250 -6.140 1047 1HD1 ILE 26 1HD1 ILE 26 -11.773 6.853 -5.381 1048 2HD1 ILE 26 2HD1 ILE 26 -10.020 6.850 -5.204 1049 3HD1 ILE 26 3HD1 ILE 26 -11.029 6.005 -4.028 1050 H ASP 27 H ASP 27 -15.287 4.210 -6.235 1051 HA ASP 27 HA ASP 27 -15.657 2.083 -7.994 1052 1HB ASP 27 2HB ASP 27 -16.930 2.490 -5.873 1053 2HB ASP 27 1HB ASP 27 -17.826 3.753 -6.706 1054 H ALA 28 H ALA 28 -16.510 5.475 -8.279 1055 HA ALA 28 HA ALA 28 -17.871 5.040 -10.822 1056 1HB ALA 28 1HB ALA 28 -17.380 7.548 -9.222 1057 2HB ALA 28 2HB ALA 28 -18.866 6.600 -9.276 1058 3HB ALA 28 3HB ALA 28 -18.320 7.470 -10.711 1059 H VAL 29 H VAL 29 -14.994 6.712 -9.634 1060 HA VAL 29 HA VAL 29 -14.210 7.728 -12.142 1061 HB VAL 29 HB VAL 29 -13.258 7.818 -9.375 1062 1HG1 VAL 29 1HG1 VAL 29 -11.146 7.085 -9.921 1063 2HG1 VAL 29 2HG1 VAL 29 -11.034 8.822 -10.122 1064 3HG1 VAL 29 3HG1 VAL 29 -11.206 7.790 -11.536 1065 1HG2 VAL 29 1HG2 VAL 29 -14.411 9.635 -10.446 1066 2HG2 VAL 29 2HG2 VAL 29 -13.139 9.747 -11.662 1067 3HG2 VAL 29 3HG2 VAL 29 -12.786 10.122 -9.981 1068 H LEU 30 H LEU 30 -14.225 4.564 -11.081 1069 HA LEU 30 HA LEU 30 -12.133 3.882 -13.016 1070 1HB LEU 30 2HB LEU 30 -12.679 2.645 -10.341 1071 2HB LEU 30 1HB LEU 30 -11.904 1.727 -11.616 1072 HG LEU 30 HG LEU 30 -10.208 2.653 -10.164 1073 1HD1 LEU 30 1HD1 LEU 30 -8.828 3.574 -11.786 1074 2HD1 LEU 30 2HD1 LEU 30 -10.167 4.402 -12.579 1075 3HD1 LEU 30 3HD1 LEU 30 -9.998 2.655 -12.736 1076 1HD2 LEU 30 1HD2 LEU 30 -11.856 4.678 -9.672 1077 2HD2 LEU 30 2HD2 LEU 30 -10.865 5.435 -10.915 1078 3HD2 LEU 30 3HD2 LEU 30 -10.113 4.805 -9.450 1079 H GLN 31 H GLN 31 -15.303 3.020 -11.637 1080 HA GLN 31 HA GLN 31 -15.606 0.834 -13.511 1081 1HB GLN 31 2HB GLN 31 -16.585 0.920 -11.144 1082 2HB GLN 31 1HB GLN 31 -17.802 1.976 -11.832 1083 1HG GLN 31 2HG GLN 31 -18.536 0.303 -13.328 1084 2HG GLN 31 1HG GLN 31 -17.212 -0.749 -12.854 1085 1HE2 GLN 31 1HE2 GLN 31 -17.178 -1.478 -10.606 1086 2HE2 GLN 31 2HE2 GLN 31 -18.681 -1.748 -9.797 1087 H ASN 32 H ASN 32 -16.115 4.209 -13.617 1088 HA ASN 32 HA ASN 32 -18.349 4.801 -14.953 1089 1HB ASN 32 2HB ASN 32 -17.121 6.503 -16.215 1090 2HB ASN 32 1HB ASN 32 -16.537 6.414 -14.558 1091 1HD2 ASN 32 1HD2 ASN 32 -15.878 5.341 -17.846 1092 2HD2 ASN 32 2HD2 ASN 32 -14.173 5.206 -17.659 1093 H GLN 33 H GLN 33 -15.707 2.937 -16.356 1094 HA GLN 33 HA GLN 33 -17.480 2.123 -18.506 1095 1HB GLN 33 2HB GLN 33 -16.461 4.096 -19.462 1096 2HB GLN 33 1HB GLN 33 -14.855 3.516 -19.054 1097 1HG GLN 33 2HG GLN 33 -14.745 2.642 -21.084 1098 2HG GLN 33 1HG GLN 33 -15.971 1.478 -20.585 1099 1HE2 GLN 33 1HE2 GLN 33 -16.115 4.951 -21.284 1100 2HE2 GLN 33 2HE2 GLN 33 -17.333 4.832 -22.502 1101 H GLN 34 H GLN 34 -13.934 1.855 -18.548 1102 HA GLN 34 HA GLN 34 -14.154 -0.945 -17.723 1103 1HB GLN 34 2HB GLN 34 -14.125 -0.320 -20.368 1104 2HB GLN 34 1HB GLN 34 -12.404 -0.484 -20.056 1105 1HG GLN 34 2HG GLN 34 -13.477 -2.555 -20.869 1106 2HG GLN 34 1HG GLN 34 -12.689 -2.738 -19.305 1107 1HE2 GLN 34 1HE2 GLN 34 -15.722 -2.592 -20.993 1108 2HE2 GLN 34 2HE2 GLN 34 -16.700 -3.211 -19.710 1109 H TYR 35 H TYR 35 -11.850 -1.950 -17.715 1110 HA TYR 35 HA TYR 35 -10.197 -0.206 -16.091 1111 1HB TYR 35 2HB TYR 35 -10.454 -2.271 -15.054 1112 2HB TYR 35 1HB TYR 35 -10.387 -3.159 -16.567 1113 HD1 TYR 35 1HD TYR 35 -7.884 -0.681 -15.371 1114 HD2 TYR 35 2HD TYR 35 -8.782 -4.788 -16.025 1115 HE1 TYR 35 1HE TYR 35 -5.534 -1.264 -14.933 1116 HE2 TYR 35 2HE TYR 35 -6.437 -5.380 -15.587 1117 HH TYR 35 HH TYR 35 -4.068 -3.797 -15.826 1118 H SER 36 H SER 36 -8.723 1.015 -17.045 1119 HA SER 36 HA SER 36 -7.065 -0.149 -19.175 1120 1HB SER 36 2HB SER 36 -8.467 2.514 -19.167 1121 2HB SER 36 1HB SER 36 -6.992 2.273 -20.105 1122 HG SER 36 HG SER 36 -9.536 1.388 -20.583 1123 H GLU 37 H GLU 37 -4.925 0.030 -18.775 1124 HA GLU 37 HA GLU 37 -3.982 1.052 -16.342 1125 1HB GLU 37 2HB GLU 37 -2.823 -0.697 -17.644 1126 2HB GLU 37 1HB GLU 37 -2.374 0.514 -18.839 1127 1HG GLU 37 2HG GLU 37 -0.569 0.999 -17.666 1128 2HG GLU 37 1HG GLU 37 -1.580 1.499 -16.317 1129 H ALA 38 H ALA 38 -3.975 2.475 -19.588 1130 HA ALA 38 HA ALA 38 -2.389 4.713 -19.041 1131 1HB ALA 38 1HB ALA 38 -4.738 4.623 -20.926 1132 2HB ALA 38 2HB ALA 38 -3.137 3.981 -21.298 1133 3HB ALA 38 3HB ALA 38 -3.349 5.708 -21.001 1134 H LYS 39 H LYS 39 -5.673 3.998 -18.202 1135 HA LYS 39 HA LYS 39 -6.079 6.736 -17.247 1136 1HB LYS 39 2HB LYS 39 -7.881 4.509 -18.037 1137 2HB LYS 39 1HB LYS 39 -8.438 5.611 -16.797 1138 1HG LYS 39 2HG LYS 39 -9.271 6.557 -18.698 1139 2HG LYS 39 1HG LYS 39 -7.780 7.464 -18.454 1140 1HD LYS 39 2HD LYS 39 -7.991 6.849 -20.774 1141 2HD LYS 39 1HD LYS 39 -6.650 5.963 -20.049 1142 1HE LYS 39 2HE LYS 39 -7.569 4.067 -20.754 1143 2HE LYS 39 1HE LYS 39 -8.956 4.372 -19.709 1144 1HZ LYS 39 1HZ LYS 39 -9.486 4.023 -22.107 1145 2HZ LYS 39 2HZ LYS 39 -8.706 5.484 -22.447 1146 3HZ LYS 39 3HZ LYS 39 -10.081 5.469 -21.461 1147 H VAL 40 H VAL 40 -5.258 3.611 -16.144 1148 HA VAL 40 HA VAL 40 -6.407 3.374 -13.664 1149 HB VAL 40 HB VAL 40 -3.870 2.433 -14.886 1150 1HG1 VAL 40 1HG1 VAL 40 -3.485 1.179 -12.592 1151 2HG1 VAL 40 2HG1 VAL 40 -4.167 2.670 -11.942 1152 3HG1 VAL 40 3HG1 VAL 40 -2.717 2.726 -12.945 1153 1HG2 VAL 40 1HG2 VAL 40 -5.642 1.016 -15.258 1154 2HG2 VAL 40 2HG2 VAL 40 -6.298 1.240 -13.638 1155 3HG2 VAL 40 3HG2 VAL 40 -4.847 0.267 -13.874 1156 H SER 41 H SER 41 -3.976 5.647 -14.682 1157 HA SER 41 HA SER 41 -3.581 6.535 -11.911 1158 1HB SER 41 2HB SER 41 -2.054 7.425 -14.367 1159 2HB SER 41 1HB SER 41 -1.621 7.705 -12.681 1160 HG SER 41 HG SER 41 -1.128 5.552 -14.251 1161 H GLN 42 H GLN 42 -4.630 7.616 -15.099 1162 HA GLN 42 HA GLN 42 -5.066 10.326 -14.344 1163 1HB GLN 42 2HB GLN 42 -5.962 8.618 -16.646 1164 2HB GLN 42 1HB GLN 42 -6.642 10.223 -16.421 1165 1HG GLN 42 2HG GLN 42 -4.748 10.154 -18.003 1166 2HG GLN 42 1HG GLN 42 -4.491 11.237 -16.638 1167 1HE2 GLN 42 1HE2 GLN 42 -3.149 10.461 -14.886 1168 2HE2 GLN 42 2HE2 GLN 42 -1.872 9.348 -15.224 1169 H TRP 43 H TRP 43 -7.026 7.427 -14.144 1170 HA TRP 43 HA TRP 43 -9.495 8.672 -13.740 1171 1HB TRP 43 2HB TRP 43 -8.395 6.005 -12.980 1172 2HB TRP 43 1HB TRP 43 -9.940 6.514 -12.315 1173 HD1 TRP 43 HD TRP 43 -9.180 4.164 -14.558 1174 HE1 TRP 43 1HE TRP 43 -10.607 4.102 -16.678 1175 HE3 TRP 43 3HE TRP 43 -11.204 8.888 -14.389 1176 HZ2 TRP 43 2HZ TRP 43 -12.341 5.780 -18.106 1177 HZ3 TRP 43 3HZ TRP 43 -12.738 9.558 -16.178 1178 HH2 TRP 43 HH TRP 43 -13.301 8.035 -17.997 1179 H THR 44 H THR 44 -7.166 7.461 -11.340 1180 HA THR 44 HA THR 44 -8.508 8.339 -9.071 1181 HB THR 44 HB THR 44 -6.456 6.870 -9.180 1182 HG1 THR 44 1HG THR 44 -7.342 7.827 -7.237 1183 1HG2 THR 44 1HG2 THR 44 -4.515 8.818 -8.573 1184 2HG2 THR 44 2HG2 THR 44 -5.213 9.232 -10.139 1185 3HG2 THR 44 3HG2 THR 44 -4.514 7.634 -9.881 1186 H SER 45 H SER 45 -6.773 10.127 -11.451 1187 HA SER 45 HA SER 45 -6.329 12.498 -9.940 1188 1HB SER 45 2HB SER 45 -5.433 13.332 -11.881 1189 2HB SER 45 1HB SER 45 -5.468 11.643 -12.364 1190 HG SER 45 HG SER 45 -6.770 12.222 -13.893 1191 H SER 46 H SER 46 -8.872 11.217 -11.983 1192 HA SER 46 HA SER 46 -10.585 13.479 -11.882 1193 1HB SER 46 2HB SER 46 -10.785 10.681 -12.806 1194 2HB SER 46 1HB SER 46 -12.303 11.422 -12.304 1195 HG SER 46 HG SER 46 -10.861 11.831 -14.548 1196 H CYS 47 H CYS 47 -10.135 10.611 -9.920 1197 HA CYS 47 HA CYS 47 -12.377 10.903 -8.217 1198 1HB CYS 47 2HB CYS 47 -11.149 8.822 -8.184 1199 2HB CYS 47 1HB CYS 47 -9.656 9.644 -7.806 1200 HG CYS 47 HG CYS 47 -11.740 9.901 -5.601 1201 H LEU 48 H LEU 48 -9.116 12.163 -8.203 1202 HA LEU 48 HA LEU 48 -9.255 13.419 -5.686 1203 1HB LEU 48 2HB LEU 48 -7.432 13.419 -8.006 1204 2HB LEU 48 1HB LEU 48 -7.399 14.863 -7.019 1205 HG LEU 48 HG LEU 48 -6.536 13.765 -5.179 1206 1HD1 LEU 48 1HD1 LEU 48 -6.590 11.315 -4.878 1207 2HD1 LEU 48 2HD1 LEU 48 -7.542 11.183 -6.356 1208 3HD1 LEU 48 3HD1 LEU 48 -8.196 12.029 -4.961 1209 1HD2 LEU 48 1HD2 LEU 48 -4.600 12.654 -5.914 1210 2HD2 LEU 48 2HD2 LEU 48 -5.032 13.738 -7.237 1211 3HD2 LEU 48 3HD2 LEU 48 -5.409 12.019 -7.348 1212 H GLU 49 H GLU 49 -10.150 14.394 -8.942 1213 HA GLU 49 HA GLU 49 -10.669 17.094 -8.059 1214 1HB GLU 49 2HB GLU 49 -10.131 16.551 -10.461 1215 2HB GLU 49 1HB GLU 49 -11.750 15.861 -10.582 1216 1HG GLU 49 2HG GLU 49 -12.557 18.118 -9.656 1217 2HG GLU 49 1HG GLU 49 -10.963 18.712 -10.093 1218 H HIS 50 H HIS 50 -12.431 14.113 -8.464 1219 HA HIS 50 HA HIS 50 -14.965 15.378 -7.855 1220 1HB HIS 50 2HB HIS 50 -14.087 12.525 -8.328 1221 2HB HIS 50 1HB HIS 50 -15.693 12.887 -7.709 1222 HD1 HIS 50 1HD HIS 50 -17.201 14.437 -9.325 1223 HD2 HIS 50 2HD HIS 50 -13.826 12.717 -11.032 1224 HE1 HIS 50 1HE HIS 50 -17.553 14.591 -11.811 1225 HE2 HIS 50 2HE HIS 50 -15.458 13.623 -12.822 1226 H CYS 51 H CYS 51 -12.305 14.643 -6.019 1227 HA CYS 51 HA CYS 51 -13.791 13.770 -3.657 1228 1HB CYS 51 2HB CYS 51 -11.623 12.637 -4.040 1229 2HB CYS 51 1HB CYS 51 -10.807 14.195 -4.127 1230 HG CYS 51 HG CYS 51 -10.650 12.947 -1.716 1231 H ILE 52 H ILE 52 -11.573 16.245 -4.791 1232 HA ILE 52 HA ILE 52 -11.798 18.029 -2.637 1233 HB ILE 52 HB ILE 52 -9.985 18.297 -4.128 1234 1HG1 ILE 52 2HG1 ILE 52 -11.042 20.398 -3.245 1235 2HG1 ILE 52 1HG1 ILE 52 -9.935 20.577 -4.593 1236 1HG2 ILE 52 1HG2 ILE 52 -11.217 19.228 -6.549 1237 2HG2 ILE 52 2HG2 ILE 52 -11.734 17.604 -6.136 1238 3HG2 ILE 52 3HG2 ILE 52 -10.023 17.961 -6.294 1239 1HD1 ILE 52 1HD1 ILE 52 -12.560 21.504 -4.322 1240 2HD1 ILE 52 2HD1 ILE 52 -12.538 20.294 -5.605 1241 3HD1 ILE 52 3HD1 ILE 52 -11.453 21.683 -5.682 1242 H LYS 53 H LYS 53 -13.632 17.688 -5.626 1243 HA LYS 53 HA LYS 53 -15.264 19.985 -5.150 1244 1HB LYS 53 2HB LYS 53 -15.714 17.698 -7.066 1245 2HB LYS 53 1HB LYS 53 -16.452 19.289 -7.145 1246 1HG LYS 53 2HG LYS 53 -13.493 19.153 -7.154 1247 2HG LYS 53 1HG LYS 53 -14.342 18.619 -8.603 1248 1HD LYS 53 2HD LYS 53 -14.341 20.751 -9.194 1249 2HD LYS 53 1HD LYS 53 -15.592 20.965 -7.982 1250 1HE LYS 53 2HE LYS 53 -13.933 21.581 -6.342 1251 2HE LYS 53 1HE LYS 53 -12.642 21.283 -7.501 1252 1HZ LYS 53 1HZ LYS 53 -13.375 23.102 -8.822 1253 2HZ LYS 53 2HZ LYS 53 -13.259 23.660 -7.229 1254 3HZ LYS 53 3HZ LYS 53 -14.775 23.309 -7.894 1255 H ARG 54 H ARG 54 -15.486 16.578 -4.411 1256 HA ARG 54 HA ARG 54 -18.267 16.477 -3.890 1257 1HB ARG 54 2HB ARG 54 -15.932 14.751 -3.418 1258 2HB ARG 54 1HB ARG 54 -17.207 14.571 -2.223 1259 1HG ARG 54 2HG ARG 54 -18.011 14.564 -5.067 1260 2HG ARG 54 1HG ARG 54 -17.140 13.156 -4.462 1261 1HD ARG 54 2HD ARG 54 -19.202 13.978 -2.612 1262 2HD ARG 54 1HD ARG 54 -19.870 13.699 -4.219 1263 HE ARG 54 HE ARG 54 -18.133 11.590 -3.426 1264 1HH1 ARG 54 1HH1 ARG 54 -21.370 12.839 -2.986 1265 2HH1 ARG 54 2HH1 ARG 54 -22.042 11.292 -2.598 1266 1HH2 ARG 54 1HH2 ARG 54 -19.024 9.562 -2.915 1267 2HH2 ARG 54 2HH2 ARG 54 -20.714 9.435 -2.557 1268 H LEU 55 H LEU 55 -15.466 16.886 -1.755 1269 HA LEU 55 HA LEU 55 -16.902 17.157 0.641 1270 1HB LEU 55 2HB LEU 55 -14.254 18.443 -0.022 1271 2HB LEU 55 1HB LEU 55 -14.871 18.055 1.575 1272 HG LEU 55 HG LEU 55 -14.416 15.885 -0.445 1273 1HD1 LEU 55 1HD1 LEU 55 -12.347 16.836 1.514 1274 2HD1 LEU 55 2HD1 LEU 55 -12.339 17.257 -0.199 1275 3HD1 LEU 55 3HD1 LEU 55 -12.187 15.571 0.297 1276 1HD2 LEU 55 1HD2 LEU 55 -13.974 15.588 2.460 1277 2HD2 LEU 55 2HD2 LEU 55 -14.664 14.461 1.292 1278 3HD2 LEU 55 3HD2 LEU 55 -15.638 15.796 1.911 1279 H THR 56 H THR 56 -15.713 19.592 -1.639 1280 HA THR 56 HA THR 56 -16.682 21.834 -0.207 1281 HB THR 56 HB THR 56 -16.217 23.105 -2.186 1282 HG1 THR 56 1HG THR 56 -16.915 22.196 -3.948 1283 1HG2 THR 56 1HG2 THR 56 -14.110 22.721 -1.494 1284 2HG2 THR 56 2HG2 THR 56 -14.026 21.825 -3.011 1285 3HG2 THR 56 3HG2 THR 56 -14.306 20.971 -1.495 1286 H ALA 57 H ALA 57 -18.051 19.680 -2.604 1287 HA ALA 57 HA ALA 57 -20.385 21.159 -3.174 1288 1HB ALA 57 1HB ALA 57 -21.303 18.903 -3.867 1289 2HB ALA 57 2HB ALA 57 -19.759 18.219 -3.360 1290 3HB ALA 57 3HB ALA 57 -19.812 19.404 -4.664 1291 H LEU 58 H LEU 58 -19.497 18.915 -0.637 1292 HA LEU 58 HA LEU 58 -22.097 18.585 0.445 1293 1HB LEU 58 2HB LEU 58 -19.337 17.877 1.150 1294 2HB LEU 58 1HB LEU 58 -20.366 18.167 2.535 1295 HG LEU 58 HG LEU 58 -21.986 16.497 1.563 1296 1HD1 LEU 58 1HD1 LEU 58 -20.666 16.761 -0.733 1297 2HD1 LEU 58 2HD1 LEU 58 -21.535 15.288 -0.301 1298 3HD1 LEU 58 3HD1 LEU 58 -19.789 15.379 -0.075 1299 1HD2 LEU 58 1HD2 LEU 58 -19.951 16.135 3.245 1300 2HD2 LEU 58 2HD2 LEU 58 -19.429 15.057 1.951 1301 3HD2 LEU 58 3HD2 LEU 58 -20.998 14.815 2.722 1302 H ASN 59 H ASN 59 -19.293 20.293 1.846 1303 HA ASN 59 HA ASN 59 -20.162 22.819 2.172 1304 1HB ASN 59 2HB ASN 59 -21.122 22.805 4.557 1305 2HB ASN 59 1HB ASN 59 -22.201 22.353 3.243 1306 1HD2 ASN 59 1HD2 ASN 59 -23.245 21.509 5.331 1307 2HD2 ASN 59 2HD2 ASN 59 -22.908 19.860 5.715 1308 H LYS 60 H LYS 60 -19.171 20.271 4.448 1309 HA LYS 60 HA LYS 60 -16.724 21.821 5.017 1310 1HB LYS 60 2HB LYS 60 -18.851 21.167 6.826 1311 2HB LYS 60 1HB LYS 60 -17.403 20.304 7.322 1312 1HG LYS 60 2HG LYS 60 -16.361 22.171 7.990 1313 2HG LYS 60 1HG LYS 60 -16.962 23.118 6.627 1314 1HD LYS 60 2HD LYS 60 -19.008 22.333 8.584 1315 2HD LYS 60 1HD LYS 60 -17.772 23.427 9.206 1316 1HE LYS 60 2HE LYS 60 -19.489 24.812 8.373 1317 2HE LYS 60 1HE LYS 60 -18.206 24.860 7.163 1318 1HZ LYS 60 1HZ LYS 60 -19.511 22.998 6.042 1319 2HZ LYS 60 2HZ LYS 60 -20.146 24.563 5.943 1320 3HZ LYS 60 3HZ LYS 60 -20.801 23.453 7.039 1321 HA PRO 61 HA PRO 61 -15.042 21.427 6.534 1322 1HB PRO 61 2HB PRO 61 -12.399 20.761 5.633 1323 2HB PRO 61 1HB PRO 61 -13.063 20.691 7.262 1324 1HG PRO 61 2HG PRO 61 -12.345 18.483 5.794 1325 2HG PRO 61 1HG PRO 61 -13.532 18.466 7.108 1326 1HD PRO 61 2HD PRO 61 -13.977 18.521 4.153 1327 2HD PRO 61 1HD PRO 61 -14.880 17.660 5.416 1328 H PHE 62 H PHE 62 -12.765 22.744 5.589 1329 HA PHE 62 HA PHE 62 -13.801 23.878 3.088 1330 1HB PHE 62 2HB PHE 62 -13.620 25.420 4.994 1331 2HB PHE 62 1HB PHE 62 -11.898 25.072 5.115 1332 HD1 PHE 62 1HD PHE 62 -14.488 26.838 3.254 1333 HD2 PHE 62 2HD PHE 62 -10.334 25.936 3.473 1334 HE1 PHE 62 1HE PHE 62 -14.012 28.660 1.671 1335 HE2 PHE 62 2HE PHE 62 -9.851 27.757 1.890 1336 HZ PHE 62 HZ PHE 62 -11.691 29.123 0.988 1337 H LYS 63 H LYS 63 -10.543 23.702 4.548 1338 HA LYS 63 HA LYS 63 -9.425 23.299 1.889 1339 1HB LYS 63 2HB LYS 63 -8.564 24.785 4.001 1340 2HB LYS 63 1HB LYS 63 -7.596 23.332 4.200 1341 1HG LYS 63 2HG LYS 63 -7.363 23.852 1.514 1342 2HG LYS 63 1HG LYS 63 -7.390 25.465 2.231 1343 1HD LYS 63 2HD LYS 63 -5.378 25.199 3.212 1344 2HD LYS 63 1HD LYS 63 -5.689 23.511 3.624 1345 1HE LYS 63 2HE LYS 63 -5.183 22.826 1.365 1346 2HE LYS 63 1HE LYS 63 -5.005 24.505 0.859 1347 1HZ LYS 63 1HZ LYS 63 -2.966 22.961 1.582 1348 2HZ LYS 63 2HZ LYS 63 -3.327 23.670 3.075 1349 3HZ LYS 63 3HZ LYS 63 -2.958 24.645 1.744 1350 H TYR 64 H TYR 64 -9.150 21.316 1.125 1351 HA TYR 64 HA TYR 64 -8.302 19.215 3.004 1352 1HB TYR 64 2HB TYR 64 -9.814 17.924 0.974 1353 2HB TYR 64 1HB TYR 64 -10.164 18.023 2.692 1354 HD1 TYR 64 1HD TYR 64 -10.410 20.323 -0.250 1355 HD2 TYR 64 2HD TYR 64 -12.300 18.668 3.173 1356 HE1 TYR 64 1HE TYR 64 -12.422 21.640 -0.738 1357 HE2 TYR 64 2HE TYR 64 -14.329 19.975 2.697 1358 HH TYR 64 HH TYR 64 -14.558 22.489 1.091 1359 H VAL 65 H VAL 65 -7.012 17.596 2.193 1360 HA VAL 65 HA VAL 65 -5.750 18.204 -0.378 1361 HB VAL 65 HB VAL 65 -4.611 17.874 2.174 1362 1HG1 VAL 65 1HG1 VAL 65 -4.507 15.454 1.915 1363 2HG1 VAL 65 2HG1 VAL 65 -2.889 16.133 1.786 1364 3HG1 VAL 65 3HG1 VAL 65 -3.753 15.634 0.335 1365 1HG2 VAL 65 1HG2 VAL 65 -2.788 18.772 1.256 1366 2HG2 VAL 65 2HG2 VAL 65 -3.977 19.167 0.014 1367 3HG2 VAL 65 3HG2 VAL 65 -2.895 17.789 -0.204 1368 H VAL 66 H VAL 66 -5.643 16.572 -1.923 1369 HA VAL 66 HA VAL 66 -6.593 13.921 -1.077 1370 HB VAL 66 HB VAL 66 -7.455 14.994 -3.737 1371 1HG1 VAL 66 1HG1 VAL 66 -9.129 13.289 -3.556 1372 2HG1 VAL 66 2HG1 VAL 66 -8.695 12.981 -1.875 1373 3HG1 VAL 66 3HG1 VAL 66 -7.564 12.576 -3.162 1374 1HG2 VAL 66 1HG2 VAL 66 -8.235 16.606 -2.012 1375 2HG2 VAL 66 2HG2 VAL 66 -9.053 15.277 -1.190 1376 3HG2 VAL 66 3HG2 VAL 66 -9.552 15.752 -2.813 1377 H THR 67 H THR 67 -5.043 12.507 -1.479 1378 HA THR 67 HA THR 67 -3.718 12.609 -4.089 1379 HB THR 67 HB THR 67 -2.072 13.600 -2.696 1380 HG1 THR 67 1HG THR 67 -1.089 12.080 -3.937 1381 1HG2 THR 67 1HG2 THR 67 -1.821 13.249 -0.531 1382 2HG2 THR 67 2HG2 THR 67 -1.654 11.508 -0.763 1383 3HG2 THR 67 3HG2 THR 67 -3.257 12.229 -0.615 1384 H CYS 68 H CYS 68 -3.171 10.629 -4.975 1385 HA CYS 68 HA CYS 68 -3.779 8.256 -3.383 1386 1HB CYS 68 2HB CYS 68 -5.847 8.831 -4.571 1387 2HB CYS 68 1HB CYS 68 -4.977 8.801 -6.096 1388 HG CYS 68 HG CYS 68 -6.330 6.526 -5.497 1389 H ILE 69 H ILE 69 -2.473 6.616 -3.707 1390 HA ILE 69 HA ILE 69 -0.599 6.722 -5.972 1391 HB ILE 69 HB ILE 69 -0.265 5.544 -3.210 1392 1HG1 ILE 69 2HG1 ILE 69 1.705 7.182 -3.229 1393 2HG1 ILE 69 1HG1 ILE 69 0.931 7.905 -4.634 1394 1HG2 ILE 69 1HG2 ILE 69 1.268 5.090 -5.695 1395 2HG2 ILE 69 2HG2 ILE 69 1.020 4.034 -4.304 1396 3HG2 ILE 69 3HG2 ILE 69 2.198 5.344 -4.218 1397 1HD1 ILE 69 1HD1 ILE 69 -0.402 9.078 -3.324 1398 2HD1 ILE 69 2HD1 ILE 69 0.428 8.410 -1.918 1399 3HD1 ILE 69 3HD1 ILE 69 -1.002 7.604 -2.563 1400 H ILE 70 H ILE 70 -0.890 5.197 -7.467 1401 HA ILE 70 HA ILE 70 -2.610 2.917 -6.860 1402 HB ILE 70 HB ILE 70 -2.590 2.537 -9.316 1403 1HG1 ILE 70 2HG1 ILE 70 -1.515 5.215 -9.889 1404 2HG1 ILE 70 1HG1 ILE 70 -0.313 4.067 -9.307 1405 1HG2 ILE 70 1HG2 ILE 70 -4.209 4.052 -8.012 1406 2HG2 ILE 70 2HG2 ILE 70 -4.177 4.175 -9.771 1407 3HG2 ILE 70 3HG2 ILE 70 -3.352 5.385 -8.787 1408 1HD1 ILE 70 1HD1 ILE 70 -0.150 3.560 -11.483 1409 2HD1 ILE 70 2HD1 ILE 70 -1.766 4.160 -11.856 1410 3HD1 ILE 70 3HD1 ILE 70 -1.561 2.557 -11.148 1411 H MET 71 H MET 71 -2.013 0.806 -7.063 1412 HA MET 71 HA MET 71 0.833 0.268 -7.602 1413 1HB MET 71 2HB MET 71 -0.888 -0.539 -5.330 1414 2HB MET 71 1HB MET 71 0.179 -1.781 -5.969 1415 1HG MET 71 2HG MET 71 2.096 -0.302 -5.633 1416 2HG MET 71 1HG MET 71 1.022 0.932 -4.978 1417 1HE MET 71 1HE MET 71 2.883 -2.586 -2.882 1418 2HE MET 71 2HE MET 71 3.195 -1.932 -4.491 1419 3HE MET 71 3HE MET 71 1.855 -3.049 -4.238 1420 H GLN 72 H GLN 72 0.643 -0.453 -9.671 1421 HA GLN 72 HA GLN 72 -1.442 -2.215 -10.519 1422 1HB GLN 72 2HB GLN 72 -0.308 -0.614 -12.036 1423 2HB GLN 72 1HB GLN 72 1.170 -1.555 -11.889 1424 1HG GLN 72 2HG GLN 72 -0.403 -3.510 -12.694 1425 2HG GLN 72 1HG GLN 72 -1.335 -2.169 -13.356 1426 1HE2 GLN 72 1HE2 GLN 72 -0.103 -4.149 -14.906 1427 2HE2 GLN 72 2HE2 GLN 72 1.135 -3.407 -15.856 1428 H LYS 73 H LYS 73 -1.347 -4.392 -10.998 1429 HA LYS 73 HA LYS 73 -0.768 -6.569 -10.709 1430 1HB LYS 73 2HB LYS 73 1.401 -5.328 -11.895 1431 2HB LYS 73 1HB LYS 73 2.126 -6.173 -10.534 1432 1HG LYS 73 2HG LYS 73 2.226 -7.881 -11.982 1433 2HG LYS 73 1HG LYS 73 0.541 -8.120 -11.516 1434 1HD LYS 73 2HD LYS 73 -0.069 -6.583 -13.432 1435 2HD LYS 73 1HD LYS 73 1.611 -6.715 -13.955 1436 1HE LYS 73 2HE LYS 73 1.094 -9.302 -13.703 1437 2HE LYS 73 1HE LYS 73 -0.558 -8.746 -13.974 1438 1HZ LYS 73 1HZ LYS 73 0.254 -7.627 -16.005 1439 2HZ LYS 73 2HZ LYS 73 0.422 -9.308 -16.063 1440 3HZ LYS 73 3HZ LYS 73 1.772 -8.334 -15.766 1441 H ASN 74 H ASN 74 1.258 -7.841 -9.334 1442 HA ASN 74 HA ASN 74 1.083 -6.762 -6.605 1443 1HB ASN 74 2HB ASN 74 0.774 -9.155 -5.824 1444 2HB ASN 74 1HB ASN 74 -0.609 -8.438 -6.646 1445 1HD2 ASN 74 1HD2 ASN 74 1.400 -11.078 -6.479 1446 2HD2 ASN 74 2HD2 ASN 74 1.010 -11.811 -7.995 1447 H GLY 75 H GLY 75 3.268 -6.576 -8.414 1448 1HA GLY 75 2HA GLY 75 5.250 -8.121 -6.883 1449 2HA GLY 75 1HA GLY 75 5.308 -8.151 -8.639 1450 H ALA 76 H ALA 76 4.519 -5.369 -6.619 1451 HA ALA 76 HA ALA 76 7.031 -4.102 -7.500 1452 1HB ALA 76 1HB ALA 76 5.972 -2.156 -8.096 1453 2HB ALA 76 2HB ALA 76 4.598 -2.448 -7.030 1454 3HB ALA 76 3HB ALA 76 4.746 -3.343 -8.542 1455 H GLY 77 H GLY 77 8.156 -2.924 -6.008 1456 1HA GLY 77 2HA GLY 77 7.006 -2.822 -3.284 1457 2HA GLY 77 1HA GLY 77 8.690 -3.218 -3.590 1458 H LEU 78 H LEU 78 6.514 -0.763 -2.874 1459 HA LEU 78 HA LEU 78 8.623 1.238 -3.233 1460 1HB LEU 78 2HB LEU 78 7.145 1.513 -5.136 1461 2HB LEU 78 1HB LEU 78 5.747 1.569 -4.082 1462 HG LEU 78 HG LEU 78 7.861 3.608 -3.638 1463 1HD1 LEU 78 1HD1 LEU 78 7.154 3.231 -6.205 1464 2HD1 LEU 78 2HD1 LEU 78 7.545 4.807 -5.518 1465 3HD1 LEU 78 3HD1 LEU 78 5.860 4.310 -5.681 1466 1HD2 LEU 78 1HD2 LEU 78 5.517 4.895 -3.581 1467 2HD2 LEU 78 2HD2 LEU 78 6.169 4.025 -2.192 1468 3HD2 LEU 78 3HD2 LEU 78 4.956 3.263 -3.221 1469 H HIS 79 H HIS 79 9.062 1.987 -1.276 1470 HA HIS 79 HA HIS 79 6.926 2.107 0.729 1471 1HB HIS 79 2HB HIS 79 9.897 1.875 0.854 1472 2HB HIS 79 1HB HIS 79 9.072 2.665 2.193 1473 HD1 HIS 79 1HD HIS 79 7.515 1.191 3.661 1474 HD2 HIS 79 2HD HIS 79 9.538 -0.884 0.682 1475 HE1 HIS 79 1HE HIS 79 7.247 -1.242 4.236 1476 HE2 HIS 79 2HE HIS 79 8.556 -2.473 2.470 1477 H THR 80 H THR 80 6.023 3.984 1.231 1478 HA THR 80 HA THR 80 7.304 6.456 0.319 1479 HB THR 80 HB THR 80 4.474 5.958 1.262 1480 HG1 THR 80 1HG THR 80 5.638 6.146 -1.304 1481 1HG2 THR 80 1HG2 THR 80 5.890 8.419 0.454 1482 2HG2 THR 80 2HG2 THR 80 4.533 8.194 1.559 1483 3HG2 THR 80 3HG2 THR 80 4.263 8.178 -0.184 1484 H ALA 81 H ALA 81 7.475 8.284 1.684 1485 HA ALA 81 HA ALA 81 7.208 7.750 4.568 1486 1HB ALA 81 1HB ALA 81 9.585 7.433 3.769 1487 2HB ALA 81 2HB ALA 81 9.361 8.605 5.068 1488 3HB ALA 81 3HB ALA 81 9.603 9.160 3.411 1489 H ALA 82 H ALA 82 6.792 9.580 5.859 1490 HA ALA 82 HA ALA 82 6.705 12.187 4.668 1491 1HB ALA 82 1HB ALA 82 4.240 12.475 5.126 1492 2HB ALA 82 2HB ALA 82 4.156 10.715 5.212 1493 3HB ALA 82 3HB ALA 82 4.680 11.502 3.722 1494 H SER 83 H SER 83 6.845 13.761 6.076 1495 HA SER 83 HA SER 83 6.175 13.347 8.884 1496 1HB SER 83 2HB SER 83 8.650 12.779 8.343 1497 2HB SER 83 1HB SER 83 8.850 14.519 8.141 1498 HG SER 83 HG SER 83 8.906 13.175 10.385 1499 H CYS 84 H CYS 84 4.931 15.030 9.426 1500 HA CYS 84 HA CYS 84 5.450 17.625 8.132 1501 1HB CYS 84 2HB CYS 84 2.789 16.790 9.211 1502 2HB CYS 84 1HB CYS 84 3.146 18.099 8.098 1503 HG CYS 84 HG CYS 84 3.827 15.511 6.774 1504 H TRP 85 H TRP 85 4.858 19.532 9.355 1505 HA TRP 85 HA TRP 85 5.860 19.419 12.028 1506 1HB TRP 85 2HB TRP 85 5.728 21.355 10.097 1507 2HB TRP 85 1HB TRP 85 4.446 21.871 11.186 1508 HD1 TRP 85 HD TRP 85 8.200 21.057 11.248 1509 HE1 TRP 85 1HE TRP 85 9.306 22.431 13.104 1510 HE3 TRP 85 3HE TRP 85 4.023 23.205 13.240 1511 HZ2 TRP 85 2HZ TRP 85 8.514 24.209 15.158 1512 HZ3 TRP 85 3HZ TRP 85 4.279 24.733 15.150 1513 HH2 TRP 85 HH TRP 85 6.479 25.224 16.089 1514 H TRP 86 H TRP 86 4.475 20.967 13.634 1515 HA TRP 86 HA TRP 86 2.050 19.451 14.114 1516 1HB TRP 86 2HB TRP 86 3.618 21.446 15.733 1517 2HB TRP 86 1HB TRP 86 2.024 20.899 16.241 1518 HD1 TRP 86 HD TRP 86 2.956 17.829 14.968 1519 HE1 TRP 86 1HE TRP 86 4.264 16.344 16.612 1520 HE3 TRP 86 3HE TRP 86 4.434 21.413 18.304 1521 HZ2 TRP 86 2HZ TRP 86 5.726 16.648 19.006 1522 HZ3 TRP 86 3HZ TRP 86 5.784 20.731 20.244 1523 HH2 TRP 86 HH TRP 86 6.415 18.398 20.587 1524 H ASP 87 H ASP 87 -0.011 20.242 14.159 1525 HA ASP 87 HA ASP 87 -0.759 22.937 14.090 1526 1HB ASP 87 2HB ASP 87 0.329 22.298 11.683 1527 2HB ASP 87 1HB ASP 87 -1.360 21.899 11.389 1528 H SER 88 H SER 88 -2.515 22.573 15.294 1529 HA SER 88 HA SER 88 -4.162 20.268 15.033 1530 1HB SER 88 2HB SER 88 -4.200 22.756 16.665 1531 2HB SER 88 1HB SER 88 -5.725 21.889 16.481 1532 HG SER 88 HG SER 88 -5.008 20.423 17.795 1533 H THR 89 H THR 89 -4.259 23.493 13.700 1534 HA THR 89 HA THR 89 -6.966 23.444 12.850 1535 HB THR 89 HB THR 89 -5.673 25.529 13.084 1536 HG1 THR 89 1HG THR 89 -6.790 26.433 11.540 1537 1HG2 THR 89 1HG2 THR 89 -4.306 24.936 10.496 1538 2HG2 THR 89 2HG2 THR 89 -3.557 24.535 12.041 1539 3HG2 THR 89 3HG2 THR 89 -3.971 26.209 11.669 1540 H THR 90 H THR 90 -3.909 22.736 11.201 1541 HA THR 90 HA THR 90 -5.373 21.691 8.906 1542 HB THR 90 HB THR 90 -2.880 21.554 8.050 1543 HG1 THR 90 1HG THR 90 -1.617 23.186 9.049 1544 1HG2 THR 90 1HG2 THR 90 -4.789 23.725 8.088 1545 2HG2 THR 90 2HG2 THR 90 -3.739 23.162 6.788 1546 3HG2 THR 90 3HG2 THR 90 -3.125 24.299 7.988 1547 H ASP 91 H ASP 91 -5.970 19.938 10.603 1548 HA ASP 91 HA ASP 91 -4.033 17.764 10.279 1549 1HB ASP 91 2HB ASP 91 -4.303 18.959 12.673 1550 2HB ASP 91 1HB ASP 91 -5.590 17.764 12.798 1551 H GLY 92 H GLY 92 -5.140 16.666 8.739 1552 1HA GLY 92 2HA GLY 92 -7.496 15.229 9.647 1553 2HA GLY 92 1HA GLY 92 -7.752 16.277 8.262 1554 H SER 93 H SER 93 -4.638 14.808 8.539 1555 HA SER 93 HA SER 93 -4.857 13.522 6.057 1556 1HB SER 93 2HB SER 93 -2.675 12.372 6.882 1557 2HB SER 93 1HB SER 93 -2.683 14.118 6.626 1558 HG SER 93 HG SER 93 -2.642 14.452 8.752 1559 H ARG 94 H ARG 94 -5.830 11.727 5.506 1560 HA ARG 94 HA ARG 94 -5.700 9.382 7.242 1561 1HB ARG 94 2HB ARG 94 -8.352 10.200 6.064 1562 2HB ARG 94 1HB ARG 94 -8.033 8.967 7.278 1563 1HG ARG 94 2HG ARG 94 -7.209 10.936 8.729 1564 2HG ARG 94 1HG ARG 94 -8.096 11.940 7.582 1565 1HD ARG 94 2HD ARG 94 -9.992 10.160 8.062 1566 2HD ARG 94 1HD ARG 94 -9.099 9.975 9.571 1567 HE ARG 94 HE ARG 94 -10.709 12.216 8.768 1568 1HH1 ARG 94 1HH1 ARG 94 -8.070 11.185 10.822 1569 2HH1 ARG 94 2HH1 ARG 94 -8.285 12.481 11.949 1570 1HH2 ARG 94 1HH2 ARG 94 -10.982 13.913 10.255 1571 2HH2 ARG 94 2HH2 ARG 94 -9.935 14.027 11.630 1572 H THR 95 H THR 95 -5.351 7.540 6.042 1573 HA THR 95 HA THR 95 -5.568 7.849 3.131 1574 HB THR 95 HB THR 95 -3.307 7.458 4.034 1575 HG1 THR 95 1HG THR 95 -2.933 6.484 2.230 1576 1HG2 THR 95 1HG2 THR 95 -2.646 5.605 5.140 1577 2HG2 THR 95 2HG2 THR 95 -3.944 4.609 4.479 1578 3HG2 THR 95 3HG2 THR 95 -4.284 5.757 5.776 1579 H VAL 96 H VAL 96 -6.314 6.170 1.805 1580 HA VAL 96 HA VAL 96 -7.854 4.054 3.157 1581 HB VAL 96 HB VAL 96 -8.879 5.607 0.778 1582 1HG1 VAL 96 1HG1 VAL 96 -11.043 4.453 1.806 1583 2HG1 VAL 96 2HG1 VAL 96 -9.839 3.281 2.342 1584 3HG1 VAL 96 3HG1 VAL 96 -10.013 3.645 0.625 1585 1HG2 VAL 96 1HG2 VAL 96 -8.871 7.109 2.640 1586 2HG2 VAL 96 2HG2 VAL 96 -9.564 5.880 3.698 1587 3HG2 VAL 96 3HG2 VAL 96 -10.526 6.557 2.385 1588 H ARG 97 H ARG 97 -7.104 2.152 2.470 1589 HA ARG 97 HA ARG 97 -5.863 1.971 -0.172 1590 1HB ARG 97 2HB ARG 97 -4.618 1.128 1.797 1591 2HB ARG 97 1HB ARG 97 -5.897 -0.044 2.081 1592 1HG ARG 97 2HG ARG 97 -4.702 -1.445 0.839 1593 2HG ARG 97 1HG ARG 97 -5.222 -0.489 -0.550 1594 1HD ARG 97 2HD ARG 97 -3.184 0.408 -0.847 1595 2HD ARG 97 1HD ARG 97 -2.919 0.620 0.882 1596 HE ARG 97 HE ARG 97 -2.756 -2.113 -0.010 1597 1HH1 ARG 97 1HH1 ARG 97 -0.972 0.855 0.489 1598 2HH1 ARG 97 2HH1 ARG 97 0.558 0.055 0.611 1599 1HH2 ARG 97 1HH2 ARG 97 -0.743 -3.155 0.152 1600 2HH2 ARG 97 2HH2 ARG 97 0.688 -2.218 0.420 1601 H TRP 98 H TRP 98 -7.116 1.369 -1.810 1602 HA TRP 98 HA TRP 98 -9.453 -0.292 -1.286 1603 1HB TRP 98 2HB TRP 98 -8.861 1.840 -3.106 1604 2HB TRP 98 1HB TRP 98 -9.291 0.426 -4.040 1605 HD1 TRP 98 HD TRP 98 -11.019 3.038 -4.044 1606 HE1 TRP 98 1HE TRP 98 -13.484 2.974 -3.329 1607 HE3 TRP 98 3HE TRP 98 -11.001 -1.262 -1.198 1608 HZ2 TRP 98 2HZ TRP 98 -15.175 1.388 -1.781 1609 HZ3 TRP 98 3HZ TRP 98 -13.097 -1.954 -0.147 1610 HH2 TRP 98 HH TRP 98 -15.144 -0.663 -0.433 1611 H GLU 99 H GLU 99 -9.760 -2.300 -2.261 1612 HA GLU 99 HA GLU 99 -7.735 -3.327 -4.076 1613 1HB GLU 99 2HB GLU 99 -8.047 -4.169 -1.260 1614 2HB GLU 99 1HB GLU 99 -7.942 -5.479 -2.428 1615 1HG GLU 99 2HG GLU 99 -5.878 -4.110 -3.293 1616 2HG GLU 99 1HG GLU 99 -5.909 -3.458 -1.655 1617 H ASN 100 H ASN 100 -8.605 -4.639 -5.581 1618 HA ASN 100 HA ASN 100 -11.285 -5.735 -5.042 1619 1HB ASN 100 2HB ASN 100 -11.543 -5.379 -7.665 1620 2HB ASN 100 1HB ASN 100 -11.955 -4.118 -6.511 1621 1HD2 ASN 100 1HD2 ASN 100 -11.517 -2.318 -7.611 1622 2HD2 ASN 100 2HD2 ASN 100 -9.982 -1.920 -8.298 1623 H LYS 101 H LYS 101 -9.447 -6.097 -8.048 1624 HA LYS 101 HA LYS 101 -9.645 -8.971 -7.769 1625 1HB LYS 101 2HB LYS 101 -10.191 -7.994 -9.916 1626 2HB LYS 101 1HB LYS 101 -8.619 -7.214 -10.004 1627 1HG LYS 101 2HG LYS 101 -8.388 -10.085 -9.665 1628 2HG LYS 101 1HG LYS 101 -9.325 -9.656 -11.098 1629 1HD LYS 101 2HD LYS 101 -6.634 -8.459 -10.457 1630 2HD LYS 101 1HD LYS 101 -6.841 -9.897 -11.458 1631 1HE LYS 101 2HE LYS 101 -8.394 -8.510 -12.896 1632 2HE LYS 101 1HE LYS 101 -7.824 -7.104 -11.996 1633 1HZ LYS 101 1HZ LYS 101 -6.409 -7.124 -13.780 1634 2HZ LYS 101 2HZ LYS 101 -6.364 -8.811 -13.889 1635 3HZ LYS 101 3HZ LYS 101 -5.505 -8.021 -12.665 1636 H SER 102 H SER 102 -7.023 -6.666 -8.444 1637 HA SER 102 HA SER 102 -5.214 -8.180 -6.765 1638 1HB SER 102 2HB SER 102 -4.968 -9.372 -8.876 1639 2HB SER 102 1HB SER 102 -4.698 -7.853 -9.731 1640 HG SER 102 HG SER 102 -3.026 -9.125 -7.838 1641 H MET 103 H MET 103 -5.525 -5.571 -9.149 1642 HA MET 103 HA MET 103 -3.324 -4.052 -8.308 1643 1HB MET 103 2HB MET 103 -5.915 -3.120 -9.558 1644 2HB MET 103 1HB MET 103 -4.449 -2.159 -9.433 1645 1HG MET 103 2HG MET 103 -3.278 -3.815 -10.827 1646 2HG MET 103 1HG MET 103 -4.790 -4.705 -10.998 1647 1HE MET 103 1HE MET 103 -6.919 -3.187 -11.287 1648 2HE MET 103 2HE MET 103 -7.092 -2.385 -12.847 1649 3HE MET 103 3HE MET 103 -6.656 -1.448 -11.418 1650 H TYR 104 H TYR 104 -3.163 -2.255 -6.947 1651 HA TYR 104 HA TYR 104 -5.317 -2.046 -4.937 1652 1HB TYR 104 2HB TYR 104 -2.448 -1.323 -4.374 1653 2HB TYR 104 1HB TYR 104 -3.726 -1.723 -3.235 1654 HD1 TYR 104 1HD TYR 104 -3.738 -3.827 -2.280 1655 HD2 TYR 104 2HD TYR 104 -1.751 -3.282 -6.001 1656 HE1 TYR 104 1HE TYR 104 -2.934 -6.150 -2.186 1657 HE2 TYR 104 2HE TYR 104 -0.943 -5.601 -5.918 1658 HH TYR 104 HH TYR 104 -0.521 -7.324 -3.712 1659 H CYS 105 H CYS 105 -5.768 0.037 -4.093 1660 HA CYS 105 HA CYS 105 -4.553 2.309 -5.481 1661 1HB CYS 105 2HB CYS 105 -7.467 1.578 -5.489 1662 2HB CYS 105 1HB CYS 105 -6.967 3.260 -5.631 1663 HG CYS 105 HG CYS 105 -5.715 1.388 -7.705 1664 H ILE 106 H ILE 106 -3.618 3.230 -3.735 1665 HA ILE 106 HA ILE 106 -5.199 3.547 -1.293 1666 HB ILE 106 HB ILE 106 -3.012 2.679 -0.881 1667 1HG1 ILE 106 2HG1 ILE 106 -2.457 5.505 -0.140 1668 2HG1 ILE 106 1HG1 ILE 106 -3.954 4.798 0.461 1669 1HG2 ILE 106 1HG2 ILE 106 -1.767 3.181 -2.776 1670 2HG2 ILE 106 2HG2 ILE 106 -0.986 4.110 -1.497 1671 3HG2 ILE 106 3HG2 ILE 106 -2.066 4.913 -2.634 1672 1HD1 ILE 106 1HD1 ILE 106 -2.707 3.022 1.533 1673 2HD1 ILE 106 2HD1 ILE 106 -2.119 4.600 2.060 1674 3HD1 ILE 106 3HD1 ILE 106 -1.201 3.664 0.880 1675 H CYS 107 H CYS 107 -6.240 5.387 -0.904 1676 HA CYS 107 HA CYS 107 -5.205 7.871 -2.082 1677 1HB CYS 107 2HB CYS 107 -7.186 7.084 -3.349 1678 2HB CYS 107 1HB CYS 107 -8.126 7.137 -1.864 1679 HG CYS 107 HG CYS 107 -8.143 9.656 -1.935 1680 H THR 108 H THR 108 -4.765 9.329 -0.607 1681 HA THR 108 HA THR 108 -6.105 9.124 1.995 1682 HB THR 108 HB THR 108 -3.612 8.729 1.900 1683 HG1 THR 108 1HG THR 108 -4.645 10.827 3.489 1684 1HG2 THR 108 1HG2 THR 108 -3.574 11.672 1.285 1685 2HG2 THR 108 2HG2 THR 108 -2.835 10.363 0.363 1686 3HG2 THR 108 3HG2 THR 108 -2.202 10.789 1.953 1687 H VAL 109 H VAL 109 -7.109 10.807 2.881 1688 HA VAL 109 HA VAL 109 -7.139 13.319 1.356 1689 HB VAL 109 HB VAL 109 -9.384 12.929 3.222 1690 1HG1 VAL 109 1HG1 VAL 109 -10.544 13.565 0.939 1691 2HG1 VAL 109 2HG1 VAL 109 -8.899 14.044 0.517 1692 3HG1 VAL 109 3HG1 VAL 109 -9.695 14.761 1.918 1693 1HG2 VAL 109 1HG2 VAL 109 -9.700 10.758 2.624 1694 2HG2 VAL 109 2HG2 VAL 109 -8.896 10.949 1.066 1695 3HG2 VAL 109 3HG2 VAL 109 -10.541 11.545 1.289 1696 H PHE 110 H PHE 110 -6.321 15.060 2.410 1697 HA PHE 110 HA PHE 110 -6.065 14.857 5.325 1698 1HB PHE 110 2HB PHE 110 -4.555 16.755 3.561 1699 2HB PHE 110 1HB PHE 110 -4.354 16.561 5.269 1700 HD1 PHE 110 1HD PHE 110 -4.672 13.319 3.960 1701 HD2 PHE 110 2HD PHE 110 -1.957 16.579 4.212 1702 HE1 PHE 110 1HE PHE 110 -2.800 11.785 3.580 1703 HE2 PHE 110 2HE PHE 110 -0.077 15.044 3.835 1704 HZ PHE 110 HZ PHE 110 -0.498 12.641 3.518 1705 H GLY 111 H GLY 111 -7.914 15.658 6.111 1706 1HA GLY 111 2HA GLY 111 -9.180 17.981 4.939 1707 2HA GLY 111 1HA GLY 111 -9.733 17.094 6.357 1708 H LEU 112 H LEU 112 -7.649 19.636 5.177 1709 HA LEU 112 HA LEU 112 -6.814 20.273 7.899 1710 1HB LEU 112 2HB LEU 112 -5.939 21.179 5.177 1711 2HB LEU 112 1HB LEU 112 -5.440 22.037 6.622 1712 HG LEU 112 HG LEU 112 -4.124 20.255 7.379 1713 1HD1 LEU 112 1HD1 LEU 112 -4.207 18.002 6.612 1714 2HD1 LEU 112 2HD1 LEU 112 -5.380 18.425 5.369 1715 3HD1 LEU 112 3HD1 LEU 112 -5.833 18.499 7.070 1716 1HD2 LEU 112 1HD2 LEU 112 -3.899 20.001 4.406 1717 2HD2 LEU 112 2HD2 LEU 112 -2.643 19.720 5.612 1718 3HD2 LEU 112 3HD2 LEU 112 -3.250 21.353 5.332 1719 H ALA 113 H ALA 113 -7.998 21.542 9.083 1720 HA ALA 113 HA ALA 113 -10.117 23.137 8.126 1721 1HB ALA 113 1HB ALA 113 -8.841 23.769 10.740 1722 2HB ALA 113 2HB ALA 113 -9.572 22.179 10.519 1723 3HB ALA 113 3HB ALA 113 -10.549 23.635 10.317 1724 H ILE 114 H ILE 114 -9.109 24.373 6.437 1725 HA ILE 114 HA ILE 114 -8.263 26.290 5.548 1726 HB ILE 114 HB ILE 114 -8.354 27.419 8.344 1727 1HG1 ILE 114 2HG1 ILE 114 -10.634 28.313 7.236 1728 2HG1 ILE 114 1HG1 ILE 114 -10.519 26.757 6.421 1729 1HG2 ILE 114 1HG2 ILE 114 -7.162 28.660 6.481 1730 2HG2 ILE 114 2HG2 ILE 114 -8.436 29.542 7.324 1731 3HG2 ILE 114 3HG2 ILE 114 -8.747 28.851 5.731 1732 1HD1 ILE 114 1HD1 ILE 114 -10.033 26.533 9.265 1733 2HD1 ILE 114 2HD1 ILE 114 -11.172 25.664 8.236 1734 3HD1 ILE 114 3HD1 ILE 114 -11.610 27.236 8.903 Start of MODEL 6 1 1H MET 1 1HT MET 1 35.596 1.127 -12.494 2 HA MET 1 HA MET 1 34.071 1.379 -11.063 3 1HB MET 1 2HB MET 1 35.735 3.687 -10.036 4 2HB MET 1 1HB MET 1 34.641 2.676 -9.102 5 1HG MET 1 2HG MET 1 36.129 0.730 -9.681 6 2HG MET 1 1HG MET 1 37.276 1.907 -10.317 7 1HE MET 1 1HE MET 1 35.167 2.339 -6.653 8 2HE MET 1 2HE MET 1 36.110 0.971 -6.061 9 3HE MET 1 3HE MET 1 35.129 0.802 -7.516 10 H GLU 2 H GLU 2 32.522 2.100 -12.664 11 HA GLU 2 HA GLU 2 31.386 4.675 -11.945 12 1HB GLU 2 2HB GLU 2 32.934 5.088 -13.882 13 2HB GLU 2 1HB GLU 2 31.926 4.015 -14.842 14 1HG GLU 2 2HG GLU 2 30.141 5.491 -14.856 15 2HG GLU 2 1HG GLU 2 30.729 6.370 -13.446 16 H GLY 3 H GLY 3 29.322 4.291 -11.516 17 1HA GLY 3 2HA GLY 3 27.520 3.129 -13.333 18 2HA GLY 3 1HA GLY 3 27.986 1.907 -12.159 19 H VAL 4 H VAL 4 28.258 3.638 -9.917 20 HA VAL 4 HA VAL 4 25.492 3.816 -9.157 21 HB VAL 4 HB VAL 4 27.888 4.750 -7.576 22 1HG1 VAL 4 1HG1 VAL 4 26.485 4.490 -5.652 23 2HG1 VAL 4 2HG1 VAL 4 25.192 3.793 -6.628 24 3HG1 VAL 4 3HG1 VAL 4 25.629 5.490 -6.826 25 1HG2 VAL 4 1HG2 VAL 4 27.355 2.380 -6.481 26 2HG2 VAL 4 2HG2 VAL 4 28.498 2.572 -7.811 27 3HG2 VAL 4 3HG2 VAL 4 26.853 2.030 -8.135 28 H ASP 5 H ASP 5 24.262 5.608 -8.835 29 HA ASP 5 HA ASP 5 25.488 8.243 -9.199 30 1HB ASP 5 2HB ASP 5 24.591 7.458 -11.399 31 2HB ASP 5 1HB ASP 5 22.991 7.380 -10.670 32 HA PRO 6 HA PRO 6 22.631 8.390 -5.604 33 1HB PRO 6 2HB PRO 6 23.965 10.307 -4.257 34 2HB PRO 6 1HB PRO 6 24.490 8.618 -4.248 35 1HG PRO 6 2HG PRO 6 25.492 10.897 -5.924 36 2HG PRO 6 1HG PRO 6 26.424 9.693 -5.013 37 1HD PRO 6 2HD PRO 6 26.016 9.475 -7.666 38 2HD PRO 6 1HD PRO 6 26.100 8.051 -6.608 39 H ALA 7 H ALA 7 21.536 9.395 -7.744 40 HA ALA 7 HA ALA 7 19.936 11.482 -7.101 41 1HB ALA 7 1HB ALA 7 20.992 13.387 -8.487 42 2HB ALA 7 2HB ALA 7 22.510 12.519 -8.258 43 3HB ALA 7 3HB ALA 7 21.611 13.105 -6.859 44 H VAL 8 H VAL 8 22.033 11.297 -9.935 45 HA VAL 8 HA VAL 8 21.693 10.819 -12.122 46 HB VAL 8 HB VAL 8 19.119 9.406 -11.872 47 1HG1 VAL 8 1HG1 VAL 8 20.535 9.346 -13.855 48 2HG1 VAL 8 2HG1 VAL 8 20.279 7.739 -13.175 49 3HG1 VAL 8 3HG1 VAL 8 21.811 8.573 -12.915 50 1HG2 VAL 8 1HG2 VAL 8 19.759 8.666 -9.764 51 2HG2 VAL 8 2HG2 VAL 8 21.463 8.579 -10.204 52 3HG2 VAL 8 3HG2 VAL 8 20.325 7.393 -10.844 53 H GLU 9 H GLU 9 18.341 10.974 -11.012 54 HA GLU 9 HA GLU 9 17.842 13.041 -13.029 55 1HB GLU 9 2HB GLU 9 16.420 10.663 -12.107 56 2HB GLU 9 1HB GLU 9 15.394 12.074 -12.210 57 1HG GLU 9 2HG GLU 9 17.126 11.680 -14.530 58 2HG GLU 9 1HG GLU 9 15.957 10.388 -14.260 59 H GLU 10 H GLU 10 18.447 14.816 -11.754 60 HA GLU 10 HA GLU 10 17.298 15.276 -9.172 61 1HB GLU 10 2HB GLU 10 19.519 16.181 -10.010 62 2HB GLU 10 1HB GLU 10 18.590 17.333 -10.961 63 1HG GLU 10 2HG GLU 10 17.961 17.167 -8.079 64 2HG GLU 10 1HG GLU 10 19.518 17.865 -8.522 65 H ALA 11 H ALA 11 15.311 15.944 -8.783 66 HA ALA 11 HA ALA 11 13.864 17.406 -10.889 67 1HB ALA 11 1HB ALA 11 11.994 16.248 -10.420 68 2HB ALA 11 2HB ALA 11 12.299 16.253 -8.684 69 3HB ALA 11 3HB ALA 11 13.119 15.084 -9.719 70 H ALA 12 H ALA 12 12.227 18.976 -10.094 71 HA ALA 12 HA ALA 12 11.514 20.731 -8.813 72 1HB ALA 12 1HB ALA 12 12.595 19.026 -6.851 73 2HB ALA 12 2HB ALA 12 11.497 20.382 -6.618 74 3HB ALA 12 3HB ALA 12 13.238 20.634 -6.520 75 H PHE 13 H PHE 13 12.060 22.704 -9.402 76 HA PHE 13 HA PHE 13 14.920 23.385 -9.559 77 1HB PHE 13 2HB PHE 13 13.215 23.355 -11.630 78 2HB PHE 13 1HB PHE 13 12.928 24.995 -11.060 79 HD1 PHE 13 1HD PHE 13 14.698 26.664 -11.127 80 HD2 PHE 13 2HD PHE 13 15.310 22.724 -12.615 81 HE1 PHE 13 1HE PHE 13 16.717 27.428 -12.306 82 HE2 PHE 13 2HE PHE 13 17.333 23.481 -13.797 83 HZ PHE 13 HZ PHE 13 18.038 25.835 -13.643 84 H VAL 14 H VAL 14 11.831 24.323 -8.260 85 HA VAL 14 HA VAL 14 12.847 26.923 -7.413 86 HB VAL 14 HB VAL 14 10.148 25.742 -6.773 87 1HG1 VAL 14 1HG1 VAL 14 10.434 27.571 -5.390 88 2HG1 VAL 14 2HG1 VAL 14 9.637 28.287 -6.792 89 3HG1 VAL 14 3HG1 VAL 14 11.381 28.458 -6.585 90 1HG2 VAL 14 1HG2 VAL 14 10.129 25.712 -9.104 91 2HG2 VAL 14 2HG2 VAL 14 11.099 27.180 -9.226 92 3HG2 VAL 14 3HG2 VAL 14 9.415 27.275 -8.708 93 H ALA 15 H ALA 15 12.683 27.587 -5.162 94 HA ALA 15 HA ALA 15 13.191 27.352 -2.957 95 1HB ALA 15 1HB ALA 15 10.988 26.164 -3.001 96 2HB ALA 15 2HB ALA 15 12.075 25.646 -1.712 97 3HB ALA 15 3HB ALA 15 11.876 24.647 -3.152 98 H ASP 16 H ASP 16 15.290 26.871 -4.570 99 HA ASP 16 HA ASP 16 16.581 24.414 -4.412 100 1HB ASP 16 2HB ASP 16 17.255 26.445 -5.782 101 2HB ASP 16 1HB ASP 16 17.999 27.078 -4.315 102 H ASP 17 H ASP 17 16.264 26.945 -2.033 103 HA ASP 17 HA ASP 17 18.332 26.297 -0.288 104 1HB ASP 17 2HB ASP 17 16.486 28.209 -0.267 105 2HB ASP 17 1HB ASP 17 15.696 27.101 0.852 106 H VAL 18 H VAL 18 15.021 25.045 -0.427 107 HA VAL 18 HA VAL 18 15.468 23.175 1.727 108 HB VAL 18 HB VAL 18 13.150 23.258 -0.205 109 1HG1 VAL 18 1HG1 VAL 18 12.660 21.352 0.864 110 2HG1 VAL 18 2HG1 VAL 18 12.205 22.395 2.210 111 3HG1 VAL 18 3HG1 VAL 18 13.811 21.670 2.160 112 1HG2 VAL 18 1HG2 VAL 18 13.101 24.501 2.516 113 2HG2 VAL 18 2HG2 VAL 18 12.051 24.799 1.130 114 3HG2 VAL 18 3HG2 VAL 18 13.704 25.409 1.131 115 H SER 19 H SER 19 15.486 23.150 -1.766 116 HA SER 19 HA SER 19 15.303 20.412 -2.240 117 1HB SER 19 2HB SER 19 15.331 22.409 -3.902 118 2HB SER 19 1HB SER 19 17.079 22.180 -3.896 119 HG SER 19 HG SER 19 16.822 20.163 -4.735 120 H ASN 20 H ASN 20 18.160 22.414 -1.580 121 HA ASN 20 HA ASN 20 20.029 20.305 -1.920 122 1HB ASN 20 2HB ASN 20 21.654 21.792 -0.912 123 2HB ASN 20 1HB ASN 20 20.633 22.713 -2.012 124 1HD2 ASN 20 1HD2 ASN 20 19.716 24.495 -1.271 125 2HD2 ASN 20 2HD2 ASN 20 19.610 24.955 0.390 126 H ILE 21 H ILE 21 18.292 21.542 0.895 127 HA ILE 21 HA ILE 21 19.648 20.180 2.912 128 HB ILE 21 HB ILE 21 16.712 20.909 2.731 129 1HG1 ILE 21 2HG1 ILE 21 19.028 22.283 4.099 130 2HG1 ILE 21 1HG1 ILE 21 18.272 22.803 2.598 131 1HG2 ILE 21 1HG2 ILE 21 16.852 19.240 4.419 132 2HG2 ILE 21 2HG2 ILE 21 16.768 20.799 5.238 133 3HG2 ILE 21 3HG2 ILE 21 18.312 19.959 5.099 134 1HD1 ILE 21 1HD1 ILE 21 16.845 24.012 3.767 135 2HD1 ILE 21 2HD1 ILE 21 17.551 23.421 5.272 136 3HD1 ILE 21 3HD1 ILE 21 16.224 22.541 4.514 137 H ILE 22 H ILE 22 16.710 19.127 1.158 138 HA ILE 22 HA ILE 22 16.558 16.626 2.403 139 HB ILE 22 HB ILE 22 14.674 17.579 1.181 140 1HG1 ILE 22 2HG1 ILE 22 14.184 15.450 -0.257 141 2HG1 ILE 22 1HG1 ILE 22 15.681 14.855 0.452 142 1HG2 ILE 22 1HG2 ILE 22 14.550 17.586 -1.222 143 2HG2 ILE 22 2HG2 ILE 22 16.180 16.930 -1.341 144 3HG2 ILE 22 3HG2 ILE 22 15.924 18.548 -0.687 145 1HD1 ILE 22 1HD1 ILE 22 14.743 15.211 2.686 146 2HD1 ILE 22 2HD1 ILE 22 13.771 14.098 1.722 147 3HD1 ILE 22 3HD1 ILE 22 13.238 15.764 1.952 148 H LYS 23 H LYS 23 17.999 17.460 -0.781 149 HA LYS 23 HA LYS 23 18.932 14.890 -1.411 150 1HB LYS 23 2HB LYS 23 20.172 17.557 -2.083 151 2HB LYS 23 1HB LYS 23 20.518 16.039 -2.897 152 1HG LYS 23 2HG LYS 23 18.268 15.904 -3.710 153 2HG LYS 23 1HG LYS 23 17.815 17.337 -2.792 154 1HD LYS 23 2HD LYS 23 19.696 17.166 -5.141 155 2HD LYS 23 1HD LYS 23 18.144 17.971 -5.062 156 1HE LYS 23 2HE LYS 23 19.049 19.595 -3.486 157 2HE LYS 23 1HE LYS 23 20.608 18.775 -3.533 158 1HZ LYS 23 1HZ LYS 23 20.535 19.228 -6.010 159 2HZ LYS 23 2HZ LYS 23 20.809 20.557 -5.001 160 3HZ LYS 23 3HZ LYS 23 19.279 20.312 -5.677 161 H GLU 24 H GLU 24 20.622 17.619 0.063 162 HA GLU 24 HA GLU 24 23.072 16.445 0.612 163 1HB GLU 24 2HB GLU 24 21.481 18.539 2.089 164 2HB GLU 24 1HB GLU 24 23.068 18.045 2.643 165 1HG GLU 24 2HG GLU 24 22.828 18.815 -0.199 166 2HG GLU 24 1HG GLU 24 22.680 20.099 1.000 167 H SER 25 H SER 25 20.031 16.165 2.304 168 HA SER 25 HA SER 25 21.038 14.832 4.603 169 1HB SER 25 2HB SER 25 18.361 15.429 3.460 170 2HB SER 25 1HB SER 25 18.456 14.050 4.555 171 HG SER 25 HG SER 25 19.460 15.481 6.078 172 H ILE 26 H ILE 26 19.524 13.646 1.564 173 HA ILE 26 HA ILE 26 19.510 10.931 2.258 174 HB ILE 26 HB ILE 26 19.636 12.314 -0.409 175 1HG1 ILE 26 2HG1 ILE 26 17.462 10.984 -0.630 176 2HG1 ILE 26 1HG1 ILE 26 17.632 10.655 1.090 177 1HG2 ILE 26 1HG2 ILE 26 19.127 9.859 -1.270 178 2HG2 ILE 26 2HG2 ILE 26 20.134 9.422 0.109 179 3HG2 ILE 26 3HG2 ILE 26 20.778 10.468 -1.155 180 1HD1 ILE 26 1HD1 ILE 26 17.552 13.006 1.577 181 2HD1 ILE 26 2HD1 ILE 26 16.142 12.533 0.629 182 3HD1 ILE 26 3HD1 ILE 26 17.480 13.387 -0.142 183 H ASP 27 H ASP 27 22.023 12.903 0.752 184 HA ASP 27 HA ASP 27 23.900 10.959 0.188 185 1HB ASP 27 2HB ASP 27 24.054 13.426 -0.324 186 2HB ASP 27 1HB ASP 27 24.529 13.678 1.348 187 H ALA 28 H ALA 28 23.110 12.466 3.253 188 HA ALA 28 HA ALA 28 25.218 11.020 4.657 189 1HB ALA 28 1HB ALA 28 24.899 13.275 5.349 190 2HB ALA 28 2HB ALA 28 24.283 12.252 6.648 191 3HB ALA 28 3HB ALA 28 23.161 13.039 5.539 192 H VAL 29 H VAL 29 21.694 11.176 4.608 193 HA VAL 29 HA VAL 29 21.293 9.197 6.575 194 HB VAL 29 HB VAL 29 19.674 11.009 4.968 195 1HG1 VAL 29 1HG1 VAL 29 17.546 9.719 5.488 196 2HG1 VAL 29 2HG1 VAL 29 18.563 8.287 5.430 197 3HG1 VAL 29 3HG1 VAL 29 18.421 9.336 4.020 198 1HG2 VAL 29 1HG2 VAL 29 18.373 11.124 7.002 199 2HG2 VAL 29 2HG2 VAL 29 20.094 11.259 7.338 200 3HG2 VAL 29 3HG2 VAL 29 19.249 9.743 7.649 201 H LEU 30 H LEU 30 22.424 8.860 3.450 202 HA LEU 30 HA LEU 30 21.510 6.073 3.411 203 1HB LEU 30 2HB LEU 30 21.797 7.982 1.117 204 2HB LEU 30 1HB LEU 30 21.936 6.254 0.867 205 HG LEU 30 HG LEU 30 19.676 6.922 0.367 206 1HD1 LEU 30 1HD1 LEU 30 19.407 5.729 3.083 207 2HD1 LEU 30 2HD1 LEU 30 20.228 4.824 1.812 208 3HD1 LEU 30 3HD1 LEU 30 18.552 5.330 1.593 209 1HD2 LEU 30 1HD2 LEU 30 19.927 8.931 2.034 210 2HD2 LEU 30 2HD2 LEU 30 19.199 7.791 3.161 211 3HD2 LEU 30 3HD2 LEU 30 18.346 8.234 1.683 212 H GLN 31 H GLN 31 24.190 8.331 2.715 213 HA GLN 31 HA GLN 31 25.989 6.148 2.120 214 1HB GLN 31 2HB GLN 31 26.147 8.537 1.200 215 2HB GLN 31 1HB GLN 31 26.840 8.946 2.756 216 1HG GLN 31 2HG GLN 31 28.651 7.476 2.443 217 2HG GLN 31 1HG GLN 31 27.922 6.825 0.985 218 1HE2 GLN 31 1HE2 GLN 31 30.464 7.728 0.868 219 2HE2 GLN 31 2HE2 GLN 31 30.540 9.204 -0.026 220 H ASN 32 H ASN 32 24.828 7.593 4.990 221 HA ASN 32 HA ASN 32 26.833 7.720 6.784 222 1HB ASN 32 2HB ASN 32 25.188 6.703 8.460 223 2HB ASN 32 1HB ASN 32 24.658 8.130 7.576 224 1HD2 ASN 32 1HD2 ASN 32 22.633 6.988 8.526 225 2HD2 ASN 32 2HD2 ASN 32 21.804 5.962 7.422 226 H GLN 33 H GLN 33 25.665 4.743 5.329 227 HA GLN 33 HA GLN 33 27.958 3.368 6.457 228 1HB GLN 33 2HB GLN 33 26.284 2.952 8.147 229 2HB GLN 33 1HB GLN 33 25.131 2.416 6.933 230 1HG GLN 33 2HG GLN 33 25.913 0.446 7.874 231 2HG GLN 33 1HG GLN 33 26.841 0.594 6.383 232 1HE2 GLN 33 1HE2 GLN 33 27.083 1.806 9.715 233 2HE2 GLN 33 2HE2 GLN 33 28.745 1.383 9.928 234 H GLN 34 H GLN 34 25.224 1.560 5.148 235 HA GLN 34 HA GLN 34 26.508 1.455 2.526 236 1HB GLN 34 2HB GLN 34 27.101 -0.477 4.318 237 2HB GLN 34 1HB GLN 34 25.649 -1.165 3.606 238 1HG GLN 34 2HG GLN 34 26.997 -1.996 2.049 239 2HG GLN 34 1HG GLN 34 27.066 -0.356 1.405 240 1HE2 GLN 34 1HE2 GLN 34 28.936 0.760 1.503 241 2HE2 GLN 34 2HE2 GLN 34 30.407 0.143 2.168 242 H TYR 35 H TYR 35 25.090 -0.228 1.138 243 HA TYR 35 HA TYR 35 22.404 0.885 1.217 244 1HB TYR 35 2HB TYR 35 23.513 0.882 -0.931 245 2HB TYR 35 1HB TYR 35 23.836 -0.842 -0.813 246 HD1 TYR 35 1HD TYR 35 20.876 1.455 -0.689 247 HD2 TYR 35 2HD TYR 35 22.503 -2.223 -2.079 248 HE1 TYR 35 1HE TYR 35 18.777 0.983 -1.884 249 HE2 TYR 35 2HE TYR 35 20.408 -2.703 -3.278 250 HH TYR 35 HH TYR 35 17.733 -1.710 -2.773 251 H SER 36 H SER 36 20.966 -0.092 2.461 252 HA SER 36 HA SER 36 20.727 -3.016 2.321 253 1HB SER 36 2HB SER 36 21.100 -1.323 4.728 254 2HB SER 36 1HB SER 36 19.869 -2.580 4.849 255 HG SER 36 HG SER 36 21.434 -3.944 5.092 256 H GLU 37 H GLU 37 18.670 -3.696 1.916 257 HA GLU 37 HA GLU 37 16.677 -1.840 1.242 258 1HB GLU 37 2HB GLU 37 16.756 -4.142 0.351 259 2HB GLU 37 1HB GLU 37 16.296 -4.754 1.935 260 1HG GLU 37 2HG GLU 37 14.172 -4.523 1.384 261 2HG GLU 37 1HG GLU 37 14.408 -2.785 1.269 262 H ALA 38 H ALA 38 17.219 -3.684 4.203 263 HA ALA 38 HA ALA 38 14.824 -3.090 5.524 264 1HB ALA 38 1HB ALA 38 16.870 -4.619 6.161 265 2HB ALA 38 2HB ALA 38 15.810 -3.948 7.402 266 3HB ALA 38 3HB ALA 38 17.366 -3.188 7.065 267 H LYS 39 H LYS 39 17.706 -1.225 4.992 268 HA LYS 39 HA LYS 39 16.840 0.921 6.761 269 1HB LYS 39 2HB LYS 39 19.346 -0.005 5.593 270 2HB LYS 39 1HB LYS 39 19.146 1.727 5.436 271 1HG LYS 39 2HG LYS 39 20.354 1.187 7.451 272 2HG LYS 39 1HG LYS 39 18.791 1.904 7.850 273 1HD LYS 39 2HD LYS 39 18.886 0.122 9.306 274 2HD LYS 39 1HD LYS 39 18.000 -0.569 7.947 275 1HE LYS 39 2HE LYS 39 19.913 -1.717 7.162 276 2HE LYS 39 1HE LYS 39 20.984 -0.806 8.225 277 1HZ LYS 39 1HZ LYS 39 20.348 -2.017 10.051 278 2HZ LYS 39 2HZ LYS 39 20.282 -3.204 8.848 279 3HZ LYS 39 3HZ LYS 39 18.858 -2.470 9.390 280 H VAL 40 H VAL 40 16.796 0.048 3.415 281 HA VAL 40 HA VAL 40 16.867 2.441 2.074 282 HB VAL 40 HB VAL 40 15.514 -0.174 1.577 283 1HG1 VAL 40 1HG1 VAL 40 14.779 2.329 0.161 284 2HG1 VAL 40 2HG1 VAL 40 13.803 0.908 0.532 285 3HG1 VAL 40 3HG1 VAL 40 14.974 0.853 -0.785 286 1HG2 VAL 40 1HG2 VAL 40 17.962 0.473 1.137 287 2HG2 VAL 40 2HG2 VAL 40 17.321 1.314 -0.274 288 3HG2 VAL 40 3HG2 VAL 40 17.083 -0.424 -0.101 289 H SER 41 H SER 41 14.372 1.269 4.196 290 HA SER 41 HA SER 41 12.598 3.465 3.376 291 1HB SER 41 2HB SER 41 11.729 1.071 3.487 292 2HB SER 41 1HB SER 41 11.891 1.196 5.238 293 HG SER 41 HG SER 41 10.253 2.565 5.314 294 H GLN 42 H GLN 42 14.425 2.167 6.048 295 HA GLN 42 HA GLN 42 13.334 3.942 8.007 296 1HB GLN 42 2HB GLN 42 15.646 2.037 7.926 297 2HB GLN 42 1HB GLN 42 15.506 3.181 9.252 298 1HG GLN 42 2HG GLN 42 14.571 0.914 9.702 299 2HG GLN 42 1HG GLN 42 13.450 2.248 9.957 300 1HE2 GLN 42 1HE2 GLN 42 13.748 -0.763 8.700 301 2HE2 GLN 42 2HE2 GLN 42 12.441 -0.742 7.570 302 H TRP 43 H TRP 43 16.151 3.979 5.906 303 HA TRP 43 HA TRP 43 17.458 6.144 7.086 304 1HB TRP 43 2HB TRP 43 17.462 5.023 4.327 305 2HB TRP 43 1HB TRP 43 18.335 6.502 4.683 306 HD1 TRP 43 HD TRP 43 19.646 3.782 3.720 307 HE1 TRP 43 1HE TRP 43 21.476 2.714 5.126 308 HE3 TRP 43 3HE TRP 43 18.714 6.005 8.283 309 HZ2 TRP 43 2HZ TRP 43 22.442 2.754 7.749 310 HZ3 TRP 43 3HZ TRP 43 20.157 5.414 10.163 311 HH2 TRP 43 HH TRP 43 21.985 3.825 9.906 312 H THR 44 H THR 44 15.267 6.098 4.300 313 HA THR 44 HA THR 44 15.242 8.827 3.831 314 HB THR 44 HB THR 44 14.216 6.892 2.471 315 HG1 THR 44 1HG THR 44 14.097 8.885 1.620 316 1HG2 THR 44 1HG2 THR 44 12.574 6.060 4.003 317 2HG2 THR 44 2HG2 THR 44 11.770 6.754 2.594 318 3HG2 THR 44 3HG2 THR 44 11.821 7.651 4.112 319 H SER 45 H SER 45 13.743 7.042 6.375 320 HA SER 45 HA SER 45 11.870 9.080 7.130 321 1HB SER 45 2HB SER 45 12.486 6.414 7.969 322 2HB SER 45 1HB SER 45 12.567 7.466 9.379 323 HG SER 45 HG SER 45 10.478 7.413 9.364 324 H SER 46 H SER 46 15.137 8.105 7.966 325 HA SER 46 HA SER 46 15.573 10.037 10.007 326 1HB SER 46 2HB SER 46 17.323 8.276 8.334 327 2HB SER 46 1HB SER 46 18.062 9.613 9.212 328 HG SER 46 HG SER 46 18.028 8.301 10.846 329 H CYS 47 H CYS 47 15.863 9.979 6.526 330 HA CYS 47 HA CYS 47 17.215 12.422 6.113 331 1HB CYS 47 2HB CYS 47 17.026 11.101 4.182 332 2HB CYS 47 1HB CYS 47 15.371 10.677 4.516 333 HG CYS 47 HG CYS 47 14.582 12.679 3.255 334 H LEU 48 H LEU 48 13.865 11.529 6.572 335 HA LEU 48 HA LEU 48 12.748 14.065 6.133 336 1HB LEU 48 2HB LEU 48 11.864 11.492 7.304 337 2HB LEU 48 1HB LEU 48 10.947 12.915 7.737 338 HG LEU 48 HG LEU 48 10.044 13.149 5.662 339 1HD1 LEU 48 1HD1 LEU 48 12.517 11.864 4.517 340 2HD1 LEU 48 2HD1 LEU 48 12.066 13.563 4.438 341 3HD1 LEU 48 3HD1 LEU 48 11.120 12.365 3.567 342 1HD2 LEU 48 1HD2 LEU 48 9.638 10.888 4.642 343 2HD2 LEU 48 2HD2 LEU 48 9.275 11.011 6.363 344 3HD2 LEU 48 3HD2 LEU 48 10.763 10.230 5.831 345 H GLU 49 H GLU 49 14.058 12.486 9.003 346 HA GLU 49 HA GLU 49 13.215 14.683 10.661 347 1HB GLU 49 2HB GLU 49 13.585 12.383 11.598 348 2HB GLU 49 1HB GLU 49 15.316 12.662 11.393 349 1HG GLU 49 2HG GLU 49 14.949 14.808 12.726 350 2HG GLU 49 1HG GLU 49 13.393 14.125 13.167 351 H HIS 50 H HIS 50 16.068 13.717 8.908 352 HA HIS 50 HA HIS 50 17.628 15.911 9.975 353 1HB HIS 50 2HB HIS 50 18.128 13.765 7.906 354 2HB HIS 50 1HB HIS 50 19.241 15.113 8.094 355 HD1 HIS 50 1HD HIS 50 20.457 15.286 10.457 356 HD2 HIS 50 2HD HIS 50 18.381 11.757 9.754 357 HE1 HIS 50 1HE HIS 50 21.296 13.660 12.182 358 HE2 HIS 50 2HE HIS 50 19.960 11.559 11.794 359 H CYS 51 H CYS 51 15.108 15.812 7.857 360 HA CYS 51 HA CYS 51 16.200 17.804 6.008 361 1HB CYS 51 2HB CYS 51 14.842 15.938 5.012 362 2HB CYS 51 1HB CYS 51 13.480 16.413 6.021 363 HG CYS 51 HG CYS 51 14.044 18.807 4.487 364 H ILE 52 H ILE 52 13.522 17.143 8.165 365 HA ILE 52 HA ILE 52 12.399 19.692 8.369 366 HB ILE 52 HB ILE 52 11.214 17.785 9.193 367 1HG1 ILE 52 2HG1 ILE 52 11.788 20.052 10.956 368 2HG1 ILE 52 1HG1 ILE 52 10.256 19.332 10.516 369 1HG2 ILE 52 1HG2 ILE 52 11.940 16.282 10.799 370 2HG2 ILE 52 2HG2 ILE 52 13.143 17.396 11.446 371 3HG2 ILE 52 3HG2 ILE 52 13.405 16.627 9.895 372 1HD1 ILE 52 1HD1 ILE 52 10.699 19.327 12.906 373 2HD1 ILE 52 2HD1 ILE 52 12.102 18.299 12.617 374 3HD1 ILE 52 3HD1 ILE 52 10.484 17.709 12.239 375 H LYS 53 H LYS 53 14.866 18.125 10.396 376 HA LYS 53 HA LYS 53 15.197 20.194 12.226 377 1HB LYS 53 2HB LYS 53 17.172 18.116 11.286 378 2HB LYS 53 1HB LYS 53 17.361 19.100 12.732 379 1HG LYS 53 2HG LYS 53 14.929 17.412 12.322 380 2HG LYS 53 1HG LYS 53 16.412 16.730 12.994 381 1HD LYS 53 2HD LYS 53 15.284 17.333 14.883 382 2HD LYS 53 1HD LYS 53 16.231 18.777 14.581 383 1HE LYS 53 2HE LYS 53 13.844 19.076 13.123 384 2HE LYS 53 1HE LYS 53 13.388 18.500 14.723 385 1HZ LYS 53 1HZ LYS 53 14.291 20.348 15.739 386 2HZ LYS 53 2HZ LYS 53 13.637 21.010 14.328 387 3HZ LYS 53 3HZ LYS 53 15.300 20.723 14.433 388 H ARG 54 H ARG 54 16.511 19.759 9.033 389 HA ARG 54 HA ARG 54 18.420 21.895 9.286 390 1HB ARG 54 2HB ARG 54 17.588 20.000 7.199 391 2HB ARG 54 1HB ARG 54 18.010 21.592 6.581 392 1HG ARG 54 2HG ARG 54 19.748 19.757 8.209 393 2HG ARG 54 1HG ARG 54 19.949 20.196 6.514 394 1HD ARG 54 2HD ARG 54 21.315 21.806 7.225 395 2HD ARG 54 1HD ARG 54 19.878 22.635 7.815 396 HE ARG 54 HE ARG 54 20.689 20.820 9.772 397 1HH1 ARG 54 1HH1 ARG 54 21.866 23.751 8.265 398 2HH1 ARG 54 2HH1 ARG 54 22.755 24.253 9.662 399 1HH2 ARG 54 1HH2 ARG 54 21.860 21.490 11.602 400 2HH2 ARG 54 2HH2 ARG 54 22.753 22.973 11.553 401 H LEU 55 H LEU 55 15.116 21.476 8.206 402 HA LEU 55 HA LEU 55 14.831 24.044 7.015 403 1HB LEU 55 2HB LEU 55 12.810 22.082 8.092 404 2HB LEU 55 1HB LEU 55 12.382 23.551 7.229 405 HG LEU 55 HG LEU 55 14.091 21.359 6.068 406 1HD1 LEU 55 1HD1 LEU 55 11.452 21.091 6.606 407 2HD1 LEU 55 2HD1 LEU 55 12.292 20.294 5.276 408 3HD1 LEU 55 3HD1 LEU 55 11.407 21.792 4.988 409 1HD2 LEU 55 1HD2 LEU 55 13.606 22.514 3.957 410 2HD2 LEU 55 2HD2 LEU 55 14.524 23.503 5.092 411 3HD2 LEU 55 3HD2 LEU 55 12.798 23.789 4.870 412 H THR 56 H THR 56 14.578 22.812 10.254 413 HA THR 56 HA THR 56 13.245 25.108 11.335 414 HB THR 56 HB THR 56 13.470 24.069 13.437 415 HG1 THR 56 1HG THR 56 15.514 23.584 13.774 416 1HG2 THR 56 1HG2 THR 56 13.658 21.463 12.194 417 2HG2 THR 56 2HG2 THR 56 12.543 22.535 11.346 418 3HG2 THR 56 3HG2 THR 56 12.321 22.209 13.066 419 H ALA 57 H ALA 57 16.543 24.004 10.916 420 HA ALA 57 HA ALA 57 17.809 25.988 12.492 421 1HB ALA 57 1HB ALA 57 19.264 24.276 12.048 422 2HB ALA 57 2HB ALA 57 19.748 25.401 10.779 423 3HB ALA 57 3HB ALA 57 18.673 24.055 10.401 424 H LEU 58 H LEU 58 16.861 25.773 9.101 425 HA LEU 58 HA LEU 58 17.987 28.313 8.391 426 1HB LEU 58 2HB LEU 58 16.536 26.127 7.081 427 2HB LEU 58 1HB LEU 58 16.152 27.710 6.442 428 HG LEU 58 HG LEU 58 19.031 27.124 6.765 429 1HD1 LEU 58 1HD1 LEU 58 18.582 25.016 5.915 430 2HD1 LEU 58 2HD1 LEU 58 18.904 25.961 4.462 431 3HD1 LEU 58 3HD1 LEU 58 17.243 25.589 4.922 432 1HD2 LEU 58 1HD2 LEU 58 18.349 29.213 5.810 433 2HD2 LEU 58 2HD2 LEU 58 17.320 28.395 4.635 434 3HD2 LEU 58 3HD2 LEU 58 19.073 28.230 4.538 435 H ASN 59 H ASN 59 14.895 27.103 9.479 436 HA ASN 59 HA ASN 59 12.866 28.076 9.859 437 1HB ASN 59 2HB ASN 59 12.986 30.070 11.294 438 2HB ASN 59 1HB ASN 59 14.152 28.845 11.780 439 1HD2 ASN 59 1HD2 ASN 59 16.359 29.183 11.326 440 2HD2 ASN 59 2HD2 ASN 59 16.979 30.772 11.053 441 H LYS 60 H LYS 60 12.507 28.257 7.497 442 HA LYS 60 HA LYS 60 11.365 30.721 6.837 443 1HB LYS 60 2HB LYS 60 14.048 30.950 6.568 444 2HB LYS 60 1HB LYS 60 13.626 30.376 4.960 445 1HG LYS 60 2HG LYS 60 13.368 32.570 4.549 446 2HG LYS 60 1HG LYS 60 11.776 32.302 5.262 447 1HD LYS 60 2HD LYS 60 12.656 32.993 7.450 448 2HD LYS 60 1HD LYS 60 14.231 33.293 6.712 449 1HE LYS 60 2HE LYS 60 12.840 34.820 5.101 450 2HE LYS 60 1HE LYS 60 11.677 34.808 6.425 451 1HZ LYS 60 1HZ LYS 60 14.312 36.039 6.281 452 2HZ LYS 60 2HZ LYS 60 13.881 35.360 7.768 453 3HZ LYS 60 3HZ LYS 60 12.914 36.562 7.077 454 HA PRO 61 HA PRO 61 9.595 31.070 6.027 455 1HB PRO 61 2HB PRO 61 7.088 30.090 5.791 456 2HB PRO 61 1HB PRO 61 7.907 30.924 4.477 457 1HG PRO 61 2HG PRO 61 7.458 28.012 4.884 458 2HG PRO 61 1HG PRO 61 7.492 28.946 3.382 459 1HD PRO 61 2HD PRO 61 9.560 27.373 4.313 460 2HD PRO 61 1HD PRO 61 9.739 28.700 3.152 461 H PHE 62 H PHE 62 7.398 28.415 6.801 462 HA PHE 62 HA PHE 62 8.582 28.112 9.445 463 1HB PHE 62 2HB PHE 62 6.796 29.989 9.368 464 2HB PHE 62 1HB PHE 62 5.637 28.673 9.220 465 HD1 PHE 62 1HD PHE 62 8.714 29.141 11.278 466 HD2 PHE 62 2HD PHE 62 4.529 28.375 11.202 467 HE1 PHE 62 1HE PHE 62 8.725 28.863 13.723 468 HE2 PHE 62 2HE PHE 62 4.532 28.096 13.647 469 HZ PHE 62 HZ PHE 62 6.632 28.341 14.910 470 H LYS 63 H LYS 63 5.577 27.255 7.708 471 HA LYS 63 HA LYS 63 5.608 24.598 8.820 472 1HB LYS 63 2HB LYS 63 3.515 25.887 8.372 473 2HB LYS 63 1HB LYS 63 3.825 25.710 6.649 474 1HG LYS 63 2HG LYS 63 3.265 23.503 6.632 475 2HG LYS 63 1HG LYS 63 3.757 23.250 8.308 476 1HD LYS 63 2HD LYS 63 1.748 23.937 9.144 477 2HD LYS 63 1HD LYS 63 1.451 25.052 7.809 478 1HE LYS 63 2HE LYS 63 1.383 22.687 6.504 479 2HE LYS 63 1HE LYS 63 0.780 22.196 8.086 480 1HZ LYS 63 1HZ LYS 63 -1.101 23.408 7.849 481 2HZ LYS 63 2HZ LYS 63 -0.798 23.140 6.206 482 3HZ LYS 63 3HZ LYS 63 -0.364 24.612 6.916 483 H TYR 64 H TYR 64 7.046 23.170 8.080 484 HA TYR 64 HA TYR 64 7.433 22.986 5.162 485 1HB TYR 64 2HB TYR 64 9.336 22.964 7.409 486 2HB TYR 64 1HB TYR 64 9.610 21.707 6.209 487 HD1 TYR 64 1HD TYR 64 9.319 22.702 3.677 488 HD2 TYR 64 2HD TYR 64 10.569 24.879 7.112 489 HE1 TYR 64 1HE TYR 64 10.460 24.324 2.225 490 HE2 TYR 64 2HE TYR 64 11.715 26.508 5.669 491 HH TYR 64 HH TYR 64 12.718 26.497 3.314 492 H VAL 65 H VAL 65 6.976 21.107 4.198 493 HA VAL 65 HA VAL 65 6.339 18.806 5.911 494 HB VAL 65 HB VAL 65 4.846 20.035 3.811 495 1HG1 VAL 65 1HG1 VAL 65 5.734 18.580 2.135 496 2HG1 VAL 65 2HG1 VAL 65 4.162 17.930 2.579 497 3HG1 VAL 65 3HG1 VAL 65 5.631 17.186 3.202 498 1HG2 VAL 65 1HG2 VAL 65 3.730 19.381 5.698 499 2HG2 VAL 65 2HG2 VAL 65 4.411 17.754 5.651 500 3HG2 VAL 65 3HG2 VAL 65 3.198 18.238 4.466 501 H VAL 66 H VAL 66 7.385 16.895 5.574 502 HA VAL 66 HA VAL 66 9.098 16.702 3.197 503 HB VAL 66 HB VAL 66 10.118 15.669 5.816 504 1HG1 VAL 66 1HG1 VAL 66 11.047 15.020 3.565 505 2HG1 VAL 66 2HG1 VAL 66 12.209 15.679 4.714 506 3HG1 VAL 66 3HG1 VAL 66 11.593 16.687 3.405 507 1HG2 VAL 66 1HG2 VAL 66 9.668 18.055 6.192 508 2HG2 VAL 66 2HG2 VAL 66 10.597 18.455 4.747 509 3HG2 VAL 66 3HG2 VAL 66 11.400 17.725 6.137 510 H THR 67 H THR 67 8.436 14.980 2.085 511 HA THR 67 HA THR 67 8.006 12.493 3.567 512 HB THR 67 HB THR 67 5.769 13.168 3.209 513 HG1 THR 67 1HG THR 67 6.378 11.461 1.034 514 1HG2 THR 67 1HG2 THR 67 6.643 14.687 1.148 515 2HG2 THR 67 2HG2 THR 67 4.952 14.327 1.495 516 3HG2 THR 67 3HG2 THR 67 5.830 13.372 0.301 517 H CYS 68 H CYS 68 8.588 10.637 2.574 518 HA CYS 68 HA CYS 68 9.871 10.898 -0.061 519 1HB CYS 68 2HB CYS 68 10.909 9.667 2.473 520 2HB CYS 68 1HB CYS 68 11.494 9.121 0.907 521 HG CYS 68 HG CYS 68 11.777 12.126 1.554 522 H ILE 69 H ILE 69 9.994 8.973 -1.302 523 HA ILE 69 HA ILE 69 8.357 6.715 -0.420 524 HB ILE 69 HB ILE 69 7.901 8.288 -2.958 525 1HG1 ILE 69 2HG1 ILE 69 5.712 7.402 -1.161 526 2HG1 ILE 69 1HG1 ILE 69 6.757 8.695 -0.589 527 1HG2 ILE 69 1HG2 ILE 69 6.728 5.602 -2.268 528 2HG2 ILE 69 2HG2 ILE 69 7.933 5.906 -3.519 529 3HG2 ILE 69 3HG2 ILE 69 6.315 6.590 -3.669 530 1HD1 ILE 69 1HD1 ILE 69 5.197 8.701 -3.160 531 2HD1 ILE 69 2HD1 ILE 69 6.235 10.002 -2.576 532 3HD1 ILE 69 3HD1 ILE 69 4.776 9.570 -1.684 533 H ILE 70 H ILE 70 9.517 4.922 -0.708 534 HA ILE 70 HA ILE 70 11.757 4.981 -2.590 535 HB ILE 70 HB ILE 70 12.604 3.012 -1.416 536 1HG1 ILE 70 2HG1 ILE 70 11.144 2.838 0.932 537 2HG1 ILE 70 1HG1 ILE 70 9.896 3.011 -0.298 538 1HG2 ILE 70 1HG2 ILE 70 12.585 4.249 0.971 539 2HG2 ILE 70 2HG2 ILE 70 12.030 5.566 -0.061 540 3HG2 ILE 70 3HG2 ILE 70 13.570 4.774 -0.393 541 1HD1 ILE 70 1HD1 ILE 70 11.782 0.796 0.198 542 2HD1 ILE 70 2HD1 ILE 70 11.379 1.147 -1.483 543 3HD1 ILE 70 3HD1 ILE 70 10.100 0.765 -0.330 544 H MET 71 H MET 71 12.022 3.568 -4.232 545 HA MET 71 HA MET 71 9.849 1.646 -4.739 546 1HB MET 71 2HB MET 71 11.286 3.427 -6.716 547 2HB MET 71 1HB MET 71 10.229 2.099 -7.179 548 1HG MET 71 2HG MET 71 8.697 3.737 -7.277 549 2HG MET 71 1HG MET 71 8.574 3.421 -5.547 550 1HE MET 71 1HE MET 71 10.196 7.149 -7.609 551 2HE MET 71 2HE MET 71 8.990 6.008 -8.205 552 3HE MET 71 3HE MET 71 10.691 5.546 -8.151 553 H GLN 72 H GLN 72 10.586 -0.361 -4.676 554 HA GLN 72 HA GLN 72 13.268 -1.104 -4.546 555 1HB GLN 72 2HB GLN 72 10.989 -2.391 -4.039 556 2HB GLN 72 1HB GLN 72 11.306 -3.060 -5.634 557 1HG GLN 72 2HG GLN 72 13.379 -3.975 -4.932 558 2HG GLN 72 1HG GLN 72 13.317 -3.099 -3.403 559 1HE2 GLN 72 1HE2 GLN 72 13.750 -5.746 -3.323 560 2HE2 GLN 72 2HE2 GLN 72 12.357 -6.580 -2.734 561 H LYS 73 H LYS 73 14.619 -2.229 -6.026 562 HA LYS 73 HA LYS 73 14.812 -1.098 -8.562 563 1HB LYS 73 2HB LYS 73 16.510 -2.501 -7.090 564 2HB LYS 73 1HB LYS 73 15.937 -3.821 -8.100 565 1HG LYS 73 2HG LYS 73 16.878 -1.275 -9.348 566 2HG LYS 73 1HG LYS 73 18.038 -2.490 -8.806 567 1HD LYS 73 2HD LYS 73 17.507 -3.925 -10.466 568 2HD LYS 73 1HD LYS 73 15.790 -3.518 -10.405 569 1HE LYS 73 2HE LYS 73 15.982 -1.904 -11.970 570 2HE LYS 73 1HE LYS 73 17.568 -1.389 -11.395 571 1HZ LYS 73 1HZ LYS 73 18.324 -3.632 -12.404 572 2HZ LYS 73 2HZ LYS 73 18.058 -2.311 -13.427 573 3HZ LYS 73 3HZ LYS 73 16.891 -3.528 -13.298 574 H ASN 74 H ASN 74 12.829 -1.249 -9.634 575 HA ASN 74 HA ASN 74 12.528 -3.481 -11.332 576 1HB ASN 74 2HB ASN 74 10.358 -4.320 -10.559 577 2HB ASN 74 1HB ASN 74 11.591 -4.534 -9.321 578 1HD2 ASN 74 1HD2 ASN 74 8.698 -2.875 -10.230 579 2HD2 ASN 74 2HD2 ASN 74 8.369 -2.168 -8.688 580 H GLY 75 H GLY 75 12.030 -2.437 -13.135 581 1HA GLY 75 2HA GLY 75 10.818 0.112 -13.221 582 2HA GLY 75 1HA GLY 75 11.060 -0.955 -14.596 583 H ALA 76 H ALA 76 8.883 -0.072 -11.994 584 HA ALA 76 HA ALA 76 6.708 -1.487 -13.397 585 1HB ALA 76 1HB ALA 76 6.785 -2.492 -11.312 586 2HB ALA 76 2HB ALA 76 5.560 -1.243 -11.086 587 3HB ALA 76 3HB ALA 76 7.199 -0.989 -10.489 588 H GLY 77 H GLY 77 4.867 -0.389 -13.925 589 1HA GLY 77 2HA GLY 77 5.030 2.415 -14.243 590 2HA GLY 77 1HA GLY 77 3.597 1.434 -14.509 591 H LEU 78 H LEU 78 5.036 3.778 -12.572 592 HA LEU 78 HA LEU 78 2.922 3.460 -10.541 593 1HB LEU 78 2HB LEU 78 5.359 3.069 -9.816 594 2HB LEU 78 1HB LEU 78 5.561 4.800 -10.012 595 HG LEU 78 HG LEU 78 3.511 4.960 -8.405 596 1HD1 LEU 78 1HD1 LEU 78 4.564 2.209 -7.762 597 2HD1 LEU 78 2HD1 LEU 78 2.970 2.586 -8.414 598 3HD1 LEU 78 3HD1 LEU 78 3.410 3.125 -6.792 599 1HD2 LEU 78 1HD2 LEU 78 6.102 4.023 -7.209 600 2HD2 LEU 78 2HD2 LEU 78 4.974 5.227 -6.588 601 3HD2 LEU 78 3HD2 LEU 78 5.948 5.585 -8.013 602 H HIS 79 H HIS 79 1.434 4.977 -10.824 603 HA HIS 79 HA HIS 79 2.306 7.664 -11.666 604 1HB HIS 79 2HB HIS 79 -0.017 5.985 -12.444 605 2HB HIS 79 1HB HIS 79 -0.312 7.711 -12.270 606 HD1 HIS 79 1HD HIS 79 0.256 5.513 -14.849 607 HD2 HIS 79 2HD HIS 79 2.147 9.045 -13.747 608 HE1 HIS 79 1HE HIS 79 1.405 6.338 -16.929 609 HE2 HIS 79 2HE HIS 79 2.608 8.434 -16.218 610 H THR 80 H THR 80 1.424 9.460 -10.646 611 HA THR 80 HA THR 80 -0.108 8.916 -8.189 612 HB THR 80 HB THR 80 1.993 11.067 -8.478 613 HG1 THR 80 1HG THR 80 3.429 9.716 -7.648 614 1HG2 THR 80 1HG2 THR 80 0.171 10.255 -6.330 615 2HG2 THR 80 2HG2 THR 80 0.961 11.802 -6.634 616 3HG2 THR 80 3HG2 THR 80 1.851 10.497 -5.849 617 H ALA 81 H ALA 81 -1.509 10.599 -7.468 618 HA ALA 81 HA ALA 81 -2.067 12.731 -9.408 619 1HB ALA 81 1HB ALA 81 -4.352 12.249 -9.595 620 2HB ALA 81 2HB ALA 81 -4.320 11.129 -8.232 621 3HB ALA 81 3HB ALA 81 -3.564 10.680 -9.762 622 H ALA 82 H ALA 82 -3.005 14.596 -8.488 623 HA ALA 82 HA ALA 82 -3.743 14.589 -5.713 624 1HB ALA 82 1HB ALA 82 -2.000 16.313 -5.119 625 2HB ALA 82 2HB ALA 82 -1.159 15.805 -6.584 626 3HB ALA 82 3HB ALA 82 -1.454 14.645 -5.288 627 H SER 83 H SER 83 -4.934 16.262 -5.093 628 HA SER 83 HA SER 83 -5.161 18.620 -6.789 629 1HB SER 83 2HB SER 83 -6.866 16.829 -7.471 630 2HB SER 83 1HB SER 83 -7.633 17.122 -5.913 631 HG SER 83 HG SER 83 -7.890 18.514 -8.161 632 H CYS 84 H CYS 84 -4.926 20.288 -5.452 633 HA CYS 84 HA CYS 84 -5.889 20.012 -2.686 634 1HB CYS 84 2HB CYS 84 -3.815 21.959 -3.620 635 2HB CYS 84 1HB CYS 84 -4.181 21.486 -1.970 636 HG CYS 84 HG CYS 84 -1.968 20.329 -3.009 637 H TRP 85 H TRP 85 -6.699 21.943 -1.646 638 HA TRP 85 HA TRP 85 -8.533 23.342 -3.349 639 1HB TRP 85 2HB TRP 85 -8.552 22.604 -0.715 640 2HB TRP 85 1HB TRP 85 -8.180 24.321 -0.589 641 HD1 TRP 85 HD TRP 85 -10.792 22.130 -2.446 642 HE1 TRP 85 1HE TRP 85 -13.043 23.363 -2.388 643 HE3 TRP 85 3HE TRP 85 -9.325 26.378 -0.005 644 HZ2 TRP 85 2HZ TRP 85 -14.070 25.817 -1.433 645 HZ3 TRP 85 3HZ TRP 85 -11.005 28.119 0.441 646 HH2 TRP 85 HH TRP 85 -13.329 27.844 -0.260 647 H TRP 86 H TRP 86 -8.473 25.912 -1.938 648 HA TRP 86 HA TRP 86 -6.338 27.117 -3.484 649 1HB TRP 86 2HB TRP 86 -8.778 28.107 -2.083 650 2HB TRP 86 1HB TRP 86 -7.466 29.246 -2.366 651 HD1 TRP 86 HD TRP 86 -8.133 26.573 -4.992 652 HE1 TRP 86 1HE TRP 86 -9.083 27.697 -7.104 653 HE3 TRP 86 3HE TRP 86 -8.869 31.279 -3.142 654 HZ2 TRP 86 2HZ TRP 86 -10.021 30.244 -7.881 655 HZ3 TRP 86 3HZ TRP 86 -9.796 33.003 -4.635 656 HH2 TRP 86 HH TRP 86 -10.360 32.494 -6.955 657 H ASP 87 H ASP 87 -4.551 28.086 -2.712 658 HA ASP 87 HA ASP 87 -4.098 29.082 -0.160 659 1HB ASP 87 2HB ASP 87 -4.263 26.374 0.068 660 2HB ASP 87 1HB ASP 87 -2.540 26.568 -0.226 661 H SER 88 H SER 88 -3.141 30.595 -1.598 662 HA SER 88 HA SER 88 -0.849 29.830 -3.168 663 1HB SER 88 2HB SER 88 -2.617 31.712 -3.622 664 2HB SER 88 1HB SER 88 -1.554 32.684 -2.605 665 HG SER 88 HG SER 88 -0.418 32.934 -4.345 666 H THR 89 H THR 89 -1.109 30.172 0.072 667 HA THR 89 HA THR 89 1.469 31.548 0.346 668 HB THR 89 HB THR 89 -0.020 32.667 1.738 669 HG1 THR 89 1HG THR 89 1.059 32.440 3.506 670 1HG2 THR 89 1HG2 THR 89 -1.927 31.145 1.579 671 2HG2 THR 89 2HG2 THR 89 -1.631 31.673 3.233 672 3HG2 THR 89 3HG2 THR 89 -1.145 30.058 2.724 673 H THR 90 H THR 90 -0.277 28.690 1.608 674 HA THR 90 HA THR 90 2.166 27.579 2.624 675 HB THR 90 HB THR 90 0.806 25.910 3.610 676 HG1 THR 90 1HG THR 90 -0.633 25.082 2.345 677 1HG2 THR 90 1HG2 THR 90 -0.114 27.295 5.053 678 2HG2 THR 90 2HG2 THR 90 -1.443 27.579 3.928 679 3HG2 THR 90 3HG2 THR 90 -0.011 28.610 3.883 680 H ASP 91 H ASP 91 -0.146 26.955 0.014 681 HA ASP 91 HA ASP 91 1.045 24.569 -0.765 682 1HB ASP 91 2HB ASP 91 -1.243 25.695 -1.469 683 2HB ASP 91 1HB ASP 91 -0.288 26.238 -2.845 684 H GLY 92 H GLY 92 2.774 24.037 -1.736 685 1HA GLY 92 2HA GLY 92 4.028 25.725 -3.744 686 2HA GLY 92 1HA GLY 92 4.983 25.406 -2.297 687 H SER 93 H SER 93 5.011 23.044 -1.644 688 HA SER 93 HA SER 93 5.762 20.951 -2.055 689 1HB SER 93 2HB SER 93 3.683 21.168 -4.225 690 2HB SER 93 1HB SER 93 4.452 19.657 -3.740 691 HG SER 93 HG SER 93 2.402 20.958 -2.588 692 H ARG 94 H ARG 94 7.558 20.140 -2.831 693 HA ARG 94 HA ARG 94 8.218 20.400 -5.646 694 1HB ARG 94 2HB ARG 94 9.331 22.203 -3.794 695 2HB ARG 94 1HB ARG 94 10.603 21.038 -4.139 696 1HG ARG 94 2HG ARG 94 11.006 22.534 -5.796 697 2HG ARG 94 1HG ARG 94 9.848 21.495 -6.630 698 1HD ARG 94 2HD ARG 94 8.130 23.193 -5.512 699 2HD ARG 94 1HD ARG 94 9.532 24.257 -5.594 700 HE ARG 94 HE ARG 94 9.341 24.307 -7.886 701 1HH1 ARG 94 1HH1 ARG 94 7.223 21.825 -6.619 702 2HH1 ARG 94 2HH1 ARG 94 6.411 21.583 -8.128 703 1HH2 ARG 94 1HH2 ARG 94 8.268 23.981 -9.860 704 2HH2 ARG 94 2HH2 ARG 94 7.002 22.804 -9.964 705 H THR 95 H THR 95 8.464 18.307 -6.135 706 HA THR 95 HA THR 95 9.648 16.498 -4.203 707 HB THR 95 HB THR 95 7.568 15.870 -5.387 708 HG1 THR 95 1HG THR 95 9.212 14.320 -4.601 709 1HG2 THR 95 1HG2 THR 95 7.690 15.044 -7.659 710 2HG2 THR 95 2HG2 THR 95 9.354 15.618 -7.785 711 3HG2 THR 95 3HG2 THR 95 8.035 16.772 -7.585 712 H VAL 96 H VAL 96 11.393 15.098 -4.638 713 HA VAL 96 HA VAL 96 13.104 15.846 -6.913 714 HB VAL 96 HB VAL 96 14.113 15.483 -4.090 715 1HG1 VAL 96 1HG1 VAL 96 15.574 16.442 -6.542 716 2HG1 VAL 96 2HG1 VAL 96 15.682 14.813 -5.877 717 3HG1 VAL 96 3HG1 VAL 96 16.253 16.190 -4.934 718 1HG2 VAL 96 1HG2 VAL 96 14.417 17.813 -3.922 719 2HG2 VAL 96 2HG2 VAL 96 12.770 17.580 -4.510 720 3HG2 VAL 96 3HG2 VAL 96 14.047 18.060 -5.628 721 H ARG 97 H ARG 97 13.410 14.021 -8.065 722 HA ARG 97 HA ARG 97 13.172 11.429 -6.811 723 1HB ARG 97 2HB ARG 97 12.708 12.385 -9.360 724 2HB ARG 97 1HB ARG 97 14.198 11.473 -9.557 725 1HG ARG 97 2HG ARG 97 12.590 9.885 -9.986 726 2HG ARG 97 1HG ARG 97 12.929 9.609 -8.276 727 1HD ARG 97 2HD ARG 97 10.563 9.589 -8.546 728 2HD ARG 97 1HD ARG 97 10.991 11.096 -7.739 729 HE ARG 97 HE ARG 97 10.236 12.258 -9.565 730 1HH1 ARG 97 1HH1 ARG 97 10.547 8.882 -10.432 731 2HH1 ARG 97 2HH1 ARG 97 9.754 9.078 -11.958 732 1HH2 ARG 97 1HH2 ARG 97 9.195 12.505 -11.570 733 2HH2 ARG 97 2HH2 ARG 97 8.988 11.131 -12.604 734 H TRP 98 H TRP 98 14.807 10.744 -5.619 735 HA TRP 98 HA TRP 98 17.583 11.153 -6.545 736 1HB TRP 98 2HB TRP 98 16.265 11.612 -4.056 737 2HB TRP 98 1HB TRP 98 17.389 10.291 -3.807 738 HD1 TRP 98 HD TRP 98 18.847 11.731 -2.213 739 HE1 TRP 98 1HE TRP 98 20.570 13.596 -2.566 740 HE3 TRP 98 3HE TRP 98 17.717 12.974 -7.048 741 HZ2 TRP 98 2HZ TRP 98 21.354 15.351 -4.624 742 HZ3 TRP 98 3HZ TRP 98 19.004 14.754 -8.130 743 HH2 TRP 98 HH TRP 98 20.785 15.922 -6.943 744 H GLU 99 H GLU 99 18.655 9.379 -7.191 745 HA GLU 99 HA GLU 99 17.764 6.763 -6.172 746 1HB GLU 99 2HB GLU 99 18.810 7.136 -8.968 747 2HB GLU 99 1HB GLU 99 17.959 5.755 -8.297 748 1HG GLU 99 2HG GLU 99 15.897 6.931 -8.268 749 2HG GLU 99 1HG GLU 99 16.694 8.457 -8.650 750 H ASN 100 H ASN 100 19.447 5.054 -6.401 751 HA ASN 100 HA ASN 100 22.135 6.209 -6.057 752 1HB ASN 100 2HB ASN 100 22.536 4.149 -4.584 753 2HB ASN 100 1HB ASN 100 21.527 5.431 -3.922 754 1HD2 ASN 100 1HD2 ASN 100 21.790 2.304 -3.832 755 2HD2 ASN 100 2HD2 ASN 100 20.137 1.804 -3.831 756 H LYS 101 H LYS 101 20.503 3.133 -6.875 757 HA LYS 101 HA LYS 101 21.825 2.787 -9.316 758 1HB LYS 101 2HB LYS 101 23.855 2.521 -8.019 759 2HB LYS 101 1HB LYS 101 23.085 1.325 -6.988 760 1HG LYS 101 2HG LYS 101 23.135 0.723 -9.878 761 2HG LYS 101 1HG LYS 101 24.686 0.698 -9.035 762 1HD LYS 101 2HD LYS 101 22.220 -0.832 -8.203 763 2HD LYS 101 1HD LYS 101 23.602 -1.513 -9.063 764 1HE LYS 101 2HE LYS 101 24.924 -0.463 -7.028 765 2HE LYS 101 1HE LYS 101 23.361 -0.637 -6.231 766 1HZ LYS 101 1HZ LYS 101 23.476 -3.024 -7.160 767 2HZ LYS 101 2HZ LYS 101 24.387 -2.637 -5.789 768 3HZ LYS 101 3HZ LYS 101 25.136 -2.728 -7.302 769 H SER 102 H SER 102 20.790 0.874 -6.492 770 HA SER 102 HA SER 102 19.151 -0.761 -8.320 771 1HB SER 102 2HB SER 102 21.157 -1.689 -6.746 772 2HB SER 102 1HB SER 102 19.789 -1.860 -5.647 773 HG SER 102 HG SER 102 19.707 -3.701 -6.757 774 H MET 103 H MET 103 18.282 1.720 -7.180 775 HA MET 103 HA MET 103 15.743 1.001 -6.257 776 1HB MET 103 2HB MET 103 16.866 0.334 -4.197 777 2HB MET 103 1HB MET 103 17.637 1.907 -4.080 778 1HG MET 103 2HG MET 103 14.936 2.496 -4.230 779 2HG MET 103 1HG MET 103 15.005 1.052 -3.224 780 1HE MET 103 1HE MET 103 18.181 3.852 -2.735 781 2HE MET 103 2HE MET 103 16.927 5.085 -2.615 782 3HE MET 103 3HE MET 103 17.013 4.051 -4.040 783 H TYR 104 H TYR 104 14.363 2.712 -6.344 784 HA TYR 104 HA TYR 104 15.584 5.340 -6.887 785 1HB TYR 104 2HB TYR 104 12.812 4.419 -7.669 786 2HB TYR 104 1HB TYR 104 13.640 5.876 -8.206 787 HD1 TYR 104 1HD TYR 104 12.444 3.196 -9.616 788 HD2 TYR 104 2HD TYR 104 16.307 4.819 -8.886 789 HE1 TYR 104 1HE TYR 104 13.317 1.972 -11.561 790 HE2 TYR 104 2HE TYR 104 17.193 3.601 -10.831 791 HH TYR 104 HH TYR 104 16.175 2.653 -13.029 792 H CYS 105 H CYS 105 15.334 6.839 -5.357 793 HA CYS 105 HA CYS 105 13.044 6.568 -3.518 794 1HB CYS 105 2HB CYS 105 15.179 6.034 -2.421 795 2HB CYS 105 1HB CYS 105 15.808 7.612 -2.878 796 HG CYS 105 HG CYS 105 14.352 8.718 -1.131 797 H ILE 106 H ILE 106 11.615 8.083 -4.002 798 HA ILE 106 HA ILE 106 12.506 10.699 -4.939 799 HB ILE 106 HB ILE 106 10.694 9.839 -6.217 800 1HG1 ILE 106 2HG1 ILE 106 9.164 11.664 -4.399 801 2HG1 ILE 106 1HG1 ILE 106 10.557 12.288 -5.277 802 1HG2 ILE 106 1HG2 ILE 106 8.456 9.476 -4.808 803 2HG2 ILE 106 2HG2 ILE 106 9.646 9.010 -3.593 804 3HG2 ILE 106 3HG2 ILE 106 9.606 8.183 -5.150 805 1HD1 ILE 106 1HD1 ILE 106 7.939 12.072 -6.186 806 2HD1 ILE 106 2HD1 ILE 106 8.830 10.809 -7.034 807 3HD1 ILE 106 3HD1 ILE 106 9.368 12.485 -7.132 808 H CYS 107 H CYS 107 12.460 12.492 -3.733 809 HA CYS 107 HA CYS 107 11.230 12.355 -1.063 810 1HB CYS 107 2HB CYS 107 13.183 13.730 -0.258 811 2HB CYS 107 1HB CYS 107 13.587 12.082 -0.721 812 HG CYS 107 HG CYS 107 15.364 13.706 -1.711 813 H THR 108 H THR 108 9.668 13.846 -0.932 814 HA THR 108 HA THR 108 10.018 16.322 -2.470 815 HB THR 108 HB THR 108 8.068 14.757 -3.031 816 HG1 THR 108 1HG THR 108 7.660 17.483 -2.399 817 1HG2 THR 108 1HG2 THR 108 6.002 15.167 -1.732 818 2HG2 THR 108 2HG2 THR 108 6.981 15.928 -0.478 819 3HG2 THR 108 3HG2 THR 108 7.207 14.221 -0.859 820 H VAL 109 H VAL 109 9.464 18.286 -1.612 821 HA VAL 109 HA VAL 109 9.013 18.365 1.281 822 HB VAL 109 HB VAL 109 10.638 20.610 0.288 823 1HG1 VAL 109 1HG1 VAL 109 10.623 18.818 2.694 824 2HG1 VAL 109 2HG1 VAL 109 10.227 20.534 2.587 825 3HG1 VAL 109 3HG1 VAL 109 11.900 20.003 2.418 826 1HG2 VAL 109 1HG2 VAL 109 12.765 19.437 0.293 827 2HG2 VAL 109 2HG2 VAL 109 11.716 18.810 -0.978 828 3HG2 VAL 109 3HG2 VAL 109 11.936 17.897 0.514 829 H PHE 110 H PHE 110 7.299 19.591 1.782 830 HA PHE 110 HA PHE 110 6.350 21.472 -0.251 831 1HB PHE 110 2HB PHE 110 4.769 20.384 2.059 832 2HB PHE 110 1HB PHE 110 4.168 21.433 0.808 833 HD1 PHE 110 1HD PHE 110 2.572 19.233 1.247 834 HD2 PHE 110 2HD PHE 110 6.186 19.334 -1.001 835 HE1 PHE 110 1HE PHE 110 1.830 17.273 -0.038 836 HE2 PHE 110 2HE PHE 110 5.449 17.376 -2.283 837 HZ PHE 110 HZ PHE 110 3.268 16.342 -1.804 838 H GLY 111 H GLY 111 7.334 23.302 0.093 839 1HA GLY 111 2HA GLY 111 7.904 24.286 2.745 840 2HA GLY 111 1HA GLY 111 8.322 25.071 1.227 841 H LEU 112 H LEU 112 5.776 24.493 3.551 842 HA LEU 112 HA LEU 112 4.003 26.341 2.243 843 1HB LEU 112 2HB LEU 112 3.851 24.704 4.750 844 2HB LEU 112 1HB LEU 112 2.622 25.885 4.353 845 HG LEU 112 HG LEU 112 1.807 24.630 2.559 846 1HD1 LEU 112 1HD1 LEU 112 4.062 24.260 1.502 847 2HD1 LEU 112 2HD1 LEU 112 2.931 22.917 1.372 848 3HD1 LEU 112 3HD1 LEU 112 4.231 22.862 2.558 849 1HD2 LEU 112 1HD2 LEU 112 1.231 23.521 4.546 850 2HD2 LEU 112 2HD2 LEU 112 2.802 22.719 4.619 851 3HD2 LEU 112 3HD2 LEU 112 1.654 22.299 3.348 852 H ALA 113 H ALA 113 3.909 28.428 2.519 853 HA ALA 113 HA ALA 113 5.752 29.872 3.998 854 1HB ALA 113 1HB ALA 113 3.009 30.737 3.133 855 2HB ALA 113 2HB ALA 113 4.510 30.913 2.232 856 3HB ALA 113 3HB ALA 113 4.264 31.823 3.723 857 H ILE 114 H ILE 114 2.349 30.149 4.889 858 HA ILE 114 HA ILE 114 3.157 30.049 7.718 859 HB ILE 114 HB ILE 114 0.685 31.386 6.623 860 1HG1 ILE 114 2HG1 ILE 114 2.712 32.475 5.737 861 2HG1 ILE 114 1HG1 ILE 114 1.865 33.511 6.882 862 1HG2 ILE 114 1HG2 ILE 114 0.362 32.260 8.756 863 2HG2 ILE 114 2HG2 ILE 114 2.021 31.927 9.248 864 3HG2 ILE 114 3HG2 ILE 114 0.874 30.601 9.064 865 1HD1 ILE 114 1HD1 ILE 114 3.627 32.222 8.504 866 2HD1 ILE 114 2HD1 ILE 114 3.885 33.808 7.777 867 3HD1 ILE 114 3HD1 ILE 114 4.546 32.366 7.005 868 1H MET 1 1HT MET 1 -17.979 -17.564 -10.441 869 HA MET 1 HA MET 1 -17.171 -15.640 -10.724 870 1HB MET 1 2HB MET 1 -19.925 -14.627 -10.000 871 2HB MET 1 1HB MET 1 -18.755 -13.843 -11.053 872 1HG MET 1 2HG MET 1 -18.944 -15.852 -12.560 873 2HG MET 1 1HG MET 1 -20.312 -16.359 -11.571 874 1HE MET 1 1HE MET 1 -19.653 -12.380 -12.908 875 2HE MET 1 2HE MET 1 -19.948 -12.981 -14.539 876 3HE MET 1 3HE MET 1 -18.675 -13.699 -13.552 877 H GLU 2 H GLU 2 -15.803 -15.804 -8.830 878 HA GLU 2 HA GLU 2 -16.245 -13.579 -7.017 879 1HB GLU 2 2HB GLU 2 -17.263 -15.603 -5.930 880 2HB GLU 2 1HB GLU 2 -15.664 -16.331 -5.919 881 1HG GLU 2 2HG GLU 2 -14.854 -14.842 -4.341 882 2HG GLU 2 1HG GLU 2 -16.119 -13.658 -4.664 883 H GLY 3 H GLY 3 -14.429 -12.444 -7.049 884 1HA GLY 3 2HA GLY 3 -11.902 -13.487 -6.395 885 2HA GLY 3 1HA GLY 3 -12.009 -13.355 -8.144 886 H VAL 4 H VAL 4 -13.620 -11.010 -8.237 887 HA VAL 4 HA VAL 4 -11.559 -9.042 -7.865 888 HB VAL 4 HB VAL 4 -14.420 -8.561 -8.700 889 1HG1 VAL 4 1HG1 VAL 4 -13.594 -6.548 -9.699 890 2HG1 VAL 4 2HG1 VAL 4 -11.928 -6.985 -9.322 891 3HG1 VAL 4 3HG1 VAL 4 -13.053 -6.592 -8.021 892 1HG2 VAL 4 1HG2 VAL 4 -13.121 -8.526 -11.026 893 2HG2 VAL 4 2HG2 VAL 4 -13.845 -9.995 -10.370 894 3HG2 VAL 4 3HG2 VAL 4 -12.116 -9.701 -10.176 895 H ASP 5 H ASP 5 -11.452 -7.421 -6.387 896 HA ASP 5 HA ASP 5 -13.645 -7.113 -4.471 897 1HB ASP 5 2HB ASP 5 -11.966 -8.709 -3.527 898 2HB ASP 5 1HB ASP 5 -10.760 -7.429 -3.623 899 HA PRO 6 HA PRO 6 -12.202 -2.956 -5.796 900 1HB PRO 6 2HB PRO 6 -14.574 -1.715 -5.478 901 2HB PRO 6 1HB PRO 6 -14.218 -2.706 -6.900 902 1HG PRO 6 2HG PRO 6 -15.725 -3.447 -4.413 903 2HG PRO 6 1HG PRO 6 -16.169 -3.729 -6.108 904 1HD PRO 6 2HD PRO 6 -15.057 -5.651 -4.583 905 2HD PRO 6 1HD PRO 6 -14.719 -5.515 -6.321 906 H ALA 7 H ALA 7 -11.218 -3.621 -3.477 907 HA ALA 7 HA ALA 7 -11.018 -1.448 -1.873 908 1HB ALA 7 1HB ALA 7 -12.467 -2.160 0.141 909 2HB ALA 7 2HB ALA 7 -13.394 -3.090 -1.035 910 3HB ALA 7 3HB ALA 7 -13.262 -1.340 -1.202 911 H VAL 8 H VAL 8 -11.992 -4.681 -0.841 912 HA VAL 8 HA VAL 8 -10.933 -6.396 0.188 913 HB VAL 8 HB VAL 8 -8.152 -5.610 -0.392 914 1HG1 VAL 8 1HG1 VAL 8 -8.823 -7.817 0.395 915 2HG1 VAL 8 2HG1 VAL 8 -8.015 -7.890 -1.171 916 3HG1 VAL 8 3HG1 VAL 8 -9.769 -8.050 -1.075 917 1HG2 VAL 8 1HG2 VAL 8 -8.867 -4.638 -2.378 918 2HG2 VAL 8 2HG2 VAL 8 -10.155 -5.819 -2.606 919 3HG2 VAL 8 3HG2 VAL 8 -8.473 -6.292 -2.841 920 H GLU 9 H GLU 9 -8.453 -3.893 0.480 921 HA GLU 9 HA GLU 9 -8.508 -4.275 3.385 922 1HB GLU 9 2HB GLU 9 -6.410 -3.954 1.380 923 2HB GLU 9 1HB GLU 9 -6.188 -2.920 2.771 924 1HG GLU 9 2HG GLU 9 -6.883 -5.681 3.428 925 2HG GLU 9 1HG GLU 9 -5.351 -5.493 2.577 926 H GLU 10 H GLU 10 -10.179 -2.806 3.821 927 HA GLU 10 HA GLU 10 -10.073 -0.093 2.914 928 1HB GLU 10 2HB GLU 10 -12.167 -1.384 3.548 929 2HB GLU 10 1HB GLU 10 -11.692 -1.157 5.225 930 1HG GLU 10 2HG GLU 10 -11.803 1.262 3.532 931 2HG GLU 10 1HG GLU 10 -13.338 0.496 3.939 932 H ALA 11 H ALA 11 -8.809 1.441 3.685 933 HA ALA 11 HA ALA 11 -7.755 1.173 6.420 934 1HB ALA 11 1HB ALA 11 -5.745 1.902 5.725 935 2HB ALA 11 2HB ALA 11 -6.438 3.082 4.613 936 3HB ALA 11 3HB ALA 11 -6.318 1.387 4.140 937 H ALA 12 H ALA 12 -7.316 3.248 7.548 938 HA ALA 12 HA ALA 12 -7.867 5.339 8.295 939 1HB ALA 12 1HB ALA 12 -8.461 5.565 5.553 940 2HB ALA 12 2HB ALA 12 -8.236 6.863 6.720 941 3HB ALA 12 3HB ALA 12 -9.849 6.223 6.418 942 H PHE 13 H PHE 13 -9.116 5.506 10.013 943 HA PHE 13 HA PHE 13 -11.814 4.331 9.910 944 1HB PHE 13 2HB PHE 13 -9.842 3.552 11.553 945 2HB PHE 13 1HB PHE 13 -10.521 4.848 12.531 946 HD1 PHE 13 1HD PHE 13 -12.789 4.696 13.399 947 HD2 PHE 13 2HD PHE 13 -11.066 1.528 11.139 948 HE1 PHE 13 1HE PHE 13 -14.562 3.179 14.180 949 HE2 PHE 13 2HE PHE 13 -12.836 0.006 11.916 950 HZ PHE 13 HZ PHE 13 -14.587 0.831 13.439 951 H VAL 14 H VAL 14 -9.977 7.201 10.618 952 HA VAL 14 HA VAL 14 -12.279 8.514 11.835 953 HB VAL 14 HB VAL 14 -9.599 9.759 11.228 954 1HG1 VAL 14 1HG1 VAL 14 -11.055 11.485 11.721 955 2HG1 VAL 14 2HG1 VAL 14 -10.371 11.113 13.304 956 3HG1 VAL 14 3HG1 VAL 14 -11.975 10.519 12.874 957 1HG2 VAL 14 1HG2 VAL 14 -8.986 7.979 12.606 958 2HG2 VAL 14 2HG2 VAL 14 -10.471 8.078 13.554 959 3HG2 VAL 14 3HG2 VAL 14 -9.225 9.313 13.736 960 H ALA 15 H ALA 15 -13.017 10.599 11.033 961 HA ALA 15 HA ALA 15 -13.886 11.932 9.408 962 1HB ALA 15 1HB ALA 15 -11.453 12.417 9.081 963 2HB ALA 15 2HB ALA 15 -12.447 12.653 7.643 964 3HB ALA 15 3HB ALA 15 -11.445 11.209 7.795 965 H ASP 16 H ASP 16 -15.028 9.496 9.482 966 HA ASP 16 HA ASP 16 -14.991 7.916 7.196 967 1HB ASP 16 2HB ASP 16 -16.181 7.454 9.392 968 2HB ASP 16 1HB ASP 16 -17.475 8.497 8.809 969 H ASP 17 H ASP 17 -16.519 10.998 7.776 970 HA ASP 17 HA ASP 17 -18.394 11.057 5.721 971 1HB ASP 17 2HB ASP 17 -17.748 12.796 7.625 972 2HB ASP 17 1HB ASP 17 -16.835 13.532 6.310 973 H VAL 18 H VAL 18 -14.970 11.968 5.680 974 HA VAL 18 HA VAL 18 -14.999 12.567 2.857 975 HB VAL 18 HB VAL 18 -12.598 12.232 4.655 976 1HG1 VAL 18 1HG1 VAL 18 -11.548 12.434 2.687 977 2HG1 VAL 18 2HG1 VAL 18 -11.996 14.136 2.788 978 3HG1 VAL 18 3HG1 VAL 18 -12.995 13.014 1.864 979 1HG2 VAL 18 1HG2 VAL 18 -13.827 14.876 3.985 980 2HG2 VAL 18 2HG2 VAL 18 -12.736 14.451 5.303 981 3HG2 VAL 18 3HG2 VAL 18 -14.421 13.939 5.354 982 H SER 19 H SER 19 -14.129 9.889 4.923 983 HA SER 19 HA SER 19 -12.558 8.402 3.168 984 1HB SER 19 2HB SER 19 -13.113 8.009 5.677 985 2HB SER 19 1HB SER 19 -14.482 7.083 5.062 986 HG SER 19 HG SER 19 -13.098 5.674 4.093 987 H ASN 20 H ASN 20 -16.084 8.437 3.583 988 HA ASN 20 HA ASN 20 -16.577 6.358 1.715 989 1HB ASN 20 2HB ASN 20 -18.905 7.013 1.836 990 2HB ASN 20 1HB ASN 20 -18.205 7.069 3.450 991 1HD2 ASN 20 1HD2 ASN 20 -18.462 8.856 4.592 992 2HD2 ASN 20 2HD2 ASN 20 -19.005 10.374 3.974 993 H ILE 21 H ILE 21 -16.400 9.870 1.405 994 HA ILE 21 HA ILE 21 -17.404 10.160 -1.178 995 HB ILE 21 HB ILE 21 -15.226 11.737 0.219 996 1HG1 ILE 21 2HG1 ILE 21 -18.175 12.289 -0.134 997 2HG1 ILE 21 1HG1 ILE 21 -17.407 11.734 1.349 998 1HG2 ILE 21 1HG2 ILE 21 -14.974 12.216 -2.097 999 2HG2 ILE 21 2HG2 ILE 21 -15.847 13.569 -1.379 1000 3HG2 ILE 21 3HG2 ILE 21 -16.718 12.359 -2.321 1001 1HD1 ILE 21 1HD1 ILE 21 -17.069 13.836 1.926 1002 2HD1 ILE 21 2HD1 ILE 21 -17.760 14.385 0.399 1003 3HD1 ILE 21 3HD1 ILE 21 -16.034 14.048 0.515 1004 H ILE 22 H ILE 22 -13.985 9.752 -0.194 1005 HA ILE 22 HA ILE 22 -12.982 9.664 -2.805 1006 HB ILE 22 HB ILE 22 -11.539 10.050 -0.878 1007 1HG1 ILE 22 2HG1 ILE 22 -9.756 8.244 -1.513 1008 2HG1 ILE 22 1HG1 ILE 22 -10.915 7.810 -2.765 1009 1HG2 ILE 22 1HG2 ILE 22 -10.835 8.282 0.598 1010 2HG2 ILE 22 2HG2 ILE 22 -11.871 7.128 -0.238 1011 3HG2 ILE 22 3HG2 ILE 22 -12.586 8.463 0.665 1012 1HD1 ILE 22 1HD1 ILE 22 -10.850 10.112 -3.598 1013 2HD1 ILE 22 2HD1 ILE 22 -9.261 9.347 -3.623 1014 3HD1 ILE 22 3HD1 ILE 22 -9.658 10.513 -2.361 1015 H LYS 23 H LYS 23 -13.799 6.927 -0.624 1016 HA LYS 23 HA LYS 23 -13.210 4.866 -2.436 1017 1HB LYS 23 2HB LYS 23 -15.353 4.949 -0.314 1018 2HB LYS 23 1HB LYS 23 -14.722 3.493 -1.070 1019 1HG LYS 23 2HG LYS 23 -12.556 3.881 -0.122 1020 2HG LYS 23 1HG LYS 23 -13.082 5.429 0.532 1021 1HD LYS 23 2HD LYS 23 -14.002 2.674 1.338 1022 2HD LYS 23 1HD LYS 23 -13.093 3.827 2.291 1023 1HE LYS 23 2HE LYS 23 -15.020 5.316 2.357 1024 2HE LYS 23 1HE LYS 23 -15.937 4.179 1.371 1025 1HZ LYS 23 1HZ LYS 23 -15.471 2.528 3.218 1026 2HZ LYS 23 2HZ LYS 23 -16.584 3.756 3.555 1027 3HZ LYS 23 3HZ LYS 23 -15.006 3.856 4.157 1028 H GLU 24 H GLU 24 -16.299 6.395 -1.666 1029 HA GLU 24 HA GLU 24 -17.947 5.131 -3.500 1030 1HB GLU 24 2HB GLU 24 -17.967 7.937 -2.393 1031 2HB GLU 24 1HB GLU 24 -19.210 7.387 -3.498 1032 1HG GLU 24 2HG GLU 24 -18.663 5.679 -1.150 1033 2HG GLU 24 1HG GLU 24 -19.447 7.231 -0.854 1034 H SER 25 H SER 25 -15.670 7.738 -3.966 1035 HA SER 25 HA SER 25 -16.465 8.418 -6.607 1036 1HB SER 25 2HB SER 25 -14.201 9.084 -4.799 1037 2HB SER 25 1HB SER 25 -13.901 9.261 -6.528 1038 HG SER 25 HG SER 25 -15.809 10.576 -6.602 1039 H ILE 26 H ILE 26 -13.863 6.298 -5.311 1040 HA ILE 26 HA ILE 26 -12.738 5.631 -7.789 1041 HB ILE 26 HB ILE 26 -12.834 4.155 -5.173 1042 1HG1 ILE 26 2HG1 ILE 26 -10.312 4.428 -5.508 1043 2HG1 ILE 26 1HG1 ILE 26 -10.729 5.512 -6.831 1044 1HG2 ILE 26 1HG2 ILE 26 -11.024 2.652 -6.397 1045 2HG2 ILE 26 2HG2 ILE 26 -12.011 3.032 -7.808 1046 3HG2 ILE 26 3HG2 ILE 26 -12.736 2.228 -6.416 1047 1HD1 ILE 26 1HD1 ILE 26 -11.898 6.961 -5.313 1048 2HD1 ILE 26 2HD1 ILE 26 -10.247 6.698 -4.753 1049 3HD1 ILE 26 3HD1 ILE 26 -11.589 5.855 -3.976 1050 H ASP 27 H ASP 27 -15.418 4.166 -6.016 1051 HA ASP 27 HA ASP 27 -15.939 1.987 -7.627 1052 1HB ASP 27 2HB ASP 27 -17.112 2.617 -5.482 1053 2HB ASP 27 1HB ASP 27 -18.050 3.776 -6.410 1054 H ALA 28 H ALA 28 -16.753 5.361 -8.118 1055 HA ALA 28 HA ALA 28 -18.199 4.790 -10.586 1056 1HB ALA 28 1HB ALA 28 -19.170 6.467 -9.206 1057 2HB ALA 28 2HB ALA 28 -18.492 7.294 -10.607 1058 3HB ALA 28 3HB ALA 28 -17.640 7.330 -9.064 1059 H VAL 29 H VAL 29 -15.284 6.492 -9.558 1060 HA VAL 29 HA VAL 29 -14.500 7.302 -12.140 1061 HB VAL 29 HB VAL 29 -13.591 7.650 -9.394 1062 1HG1 VAL 29 1HG1 VAL 29 -11.313 8.483 -10.155 1063 2HG1 VAL 29 2HG1 VAL 29 -11.478 7.324 -11.464 1064 3HG1 VAL 29 3HG1 VAL 29 -11.503 6.781 -9.787 1065 1HG2 VAL 29 1HG2 VAL 29 -13.056 9.866 -10.199 1066 2HG2 VAL 29 2HG2 VAL 29 -14.656 9.365 -10.728 1067 3HG2 VAL 29 3HG2 VAL 29 -13.302 9.330 -11.856 1068 H LEU 30 H LEU 30 -14.514 4.239 -10.809 1069 HA LEU 30 HA LEU 30 -12.410 3.408 -12.676 1070 1HB LEU 30 2HB LEU 30 -12.984 2.372 -9.923 1071 2HB LEU 30 1HB LEU 30 -12.221 1.351 -11.123 1072 HG LEU 30 HG LEU 30 -10.504 2.338 -9.750 1073 1HD1 LEU 30 1HD1 LEU 30 -10.391 4.004 -12.216 1074 2HD1 LEU 30 2HD1 LEU 30 -10.337 2.247 -12.350 1075 3HD1 LEU 30 3HD1 LEU 30 -9.108 3.099 -11.415 1076 1HD2 LEU 30 1HD2 LEU 30 -12.085 4.377 -9.281 1077 2HD2 LEU 30 2HD2 LEU 30 -11.212 5.075 -10.642 1078 3HD2 LEU 30 3HD2 LEU 30 -10.333 4.551 -9.207 1079 H GLN 31 H GLN 31 -15.570 2.608 -11.212 1080 HA GLN 31 HA GLN 31 -15.905 0.335 -12.968 1081 1HB GLN 31 2HB GLN 31 -16.941 0.619 -10.638 1082 2HB GLN 31 1HB GLN 31 -18.108 1.656 -11.432 1083 1HG GLN 31 2HG GLN 31 -18.863 -0.093 -12.816 1084 2HG GLN 31 1HG GLN 31 -17.574 -1.146 -12.257 1085 1HE2 GLN 31 1HE2 GLN 31 -20.118 -2.040 -12.135 1086 2HE2 GLN 31 2HE2 GLN 31 -20.659 -2.102 -10.495 1087 H ASN 32 H ASN 32 -16.328 3.711 -13.295 1088 HA ASN 32 HA ASN 32 -18.530 4.180 -14.774 1089 1HB ASN 32 2HB ASN 32 -17.077 5.784 -16.140 1090 2HB ASN 32 1HB ASN 32 -17.085 5.996 -14.392 1091 1HD2 ASN 32 1HD2 ASN 32 -15.072 7.172 -15.324 1092 2HD2 ASN 32 2HD2 ASN 32 -13.608 6.272 -15.236 1093 H GLN 33 H GLN 33 -15.767 2.308 -15.876 1094 HA GLN 33 HA GLN 33 -17.334 1.471 -18.171 1095 1HB GLN 33 2HB GLN 33 -16.145 3.366 -19.082 1096 2HB GLN 33 1HB GLN 33 -14.614 2.752 -18.474 1097 1HG GLN 33 2HG GLN 33 -14.575 2.225 -20.733 1098 2HG GLN 33 1HG GLN 33 -15.056 0.716 -19.959 1099 1HE2 GLN 33 1HE2 GLN 33 -16.668 3.672 -21.092 1100 2HE2 GLN 33 2HE2 GLN 33 -17.924 2.860 -21.957 1101 H GLN 34 H GLN 34 -13.841 0.970 -18.079 1102 HA GLN 34 HA GLN 34 -14.219 -1.681 -16.911 1103 1HB GLN 34 2HB GLN 34 -14.251 -1.453 -19.602 1104 2HB GLN 34 1HB GLN 34 -12.522 -1.612 -19.336 1105 1HG GLN 34 2HG GLN 34 -12.876 -3.803 -19.373 1106 2HG GLN 34 1HG GLN 34 -13.551 -3.600 -17.757 1107 1HE2 GLN 34 1HE2 GLN 34 -15.683 -3.918 -17.435 1108 2HE2 GLN 34 2HE2 GLN 34 -16.798 -4.383 -18.670 1109 H TYR 35 H TYR 35 -11.877 -2.809 -17.006 1110 HA TYR 35 HA TYR 35 -10.158 -0.982 -15.534 1111 1HB TYR 35 2HB TYR 35 -10.554 -3.144 -14.528 1112 2HB TYR 35 1HB TYR 35 -10.040 -3.971 -15.992 1113 HD1 TYR 35 1HD TYR 35 -8.661 -1.456 -13.578 1114 HD2 TYR 35 2HD TYR 35 -7.942 -4.914 -15.950 1115 HE1 TYR 35 1HE TYR 35 -6.367 -1.578 -12.696 1116 HE2 TYR 35 2HE TYR 35 -5.646 -5.045 -15.075 1117 HH TYR 35 HH TYR 35 -3.986 -2.953 -13.952 1118 H SER 36 H SER 36 -8.791 0.213 -16.663 1119 HA SER 36 HA SER 36 -7.167 -1.075 -18.744 1120 1HB SER 36 2HB SER 36 -8.887 1.330 -18.991 1121 2HB SER 36 1HB SER 36 -7.283 1.448 -19.712 1122 HG SER 36 HG SER 36 -8.017 0.287 -21.286 1123 H GLU 37 H GLU 37 -5.008 -0.708 -18.505 1124 HA GLU 37 HA GLU 37 -4.037 0.545 -16.191 1125 1HB GLU 37 2HB GLU 37 -2.788 -1.190 -17.428 1126 2HB GLU 37 1HB GLU 37 -2.506 -0.038 -18.728 1127 1HG GLU 37 2HG GLU 37 -0.685 0.653 -17.690 1128 2HG GLU 37 1HG GLU 37 -1.679 1.223 -16.359 1129 H ALA 38 H ALA 38 -4.360 1.724 -19.503 1130 HA ALA 38 HA ALA 38 -2.950 4.129 -19.241 1131 1HB ALA 38 1HB ALA 38 -4.112 2.967 -21.299 1132 2HB ALA 38 2HB ALA 38 -3.846 4.710 -21.266 1133 3HB ALA 38 3HB ALA 38 -5.434 4.052 -20.876 1134 H LYS 39 H LYS 39 -6.134 3.183 -18.226 1135 HA LYS 39 HA LYS 39 -6.863 5.890 -17.435 1136 1HB LYS 39 2HB LYS 39 -8.247 3.403 -18.067 1137 2HB LYS 39 1HB LYS 39 -8.861 4.146 -16.606 1138 1HG LYS 39 2HG LYS 39 -10.128 4.868 -18.524 1139 2HG LYS 39 1HG LYS 39 -9.249 6.229 -17.827 1140 1HD LYS 39 2HD LYS 39 -8.848 6.502 -20.078 1141 2HD LYS 39 1HD LYS 39 -7.431 5.582 -19.570 1142 1HE LYS 39 2HE LYS 39 -8.306 3.569 -20.450 1143 2HE LYS 39 1HE LYS 39 -9.908 4.274 -20.662 1144 1HZ LYS 39 1HZ LYS 39 -9.254 5.429 -22.518 1145 2HZ LYS 39 2HZ LYS 39 -8.334 4.019 -22.684 1146 3HZ LYS 39 3HZ LYS 39 -7.616 5.432 -22.095 1147 H VAL 40 H VAL 40 -5.575 2.979 -16.085 1148 HA VAL 40 HA VAL 40 -6.435 2.984 -13.479 1149 HB VAL 40 HB VAL 40 -3.929 2.089 -14.834 1150 1HG1 VAL 40 1HG1 VAL 40 -4.140 2.469 -11.896 1151 2HG1 VAL 40 2HG1 VAL 40 -2.735 2.585 -12.956 1152 3HG1 VAL 40 3HG1 VAL 40 -3.369 1.003 -12.502 1153 1HG2 VAL 40 1HG2 VAL 40 -6.192 0.880 -14.689 1154 2HG2 VAL 40 2HG2 VAL 40 -5.697 0.483 -13.044 1155 3HG2 VAL 40 3HG2 VAL 40 -4.714 -0.042 -14.411 1156 H SER 41 H SER 41 -4.304 5.262 -15.017 1157 HA SER 41 HA SER 41 -3.642 6.453 -12.412 1158 1HB SER 41 2HB SER 41 -1.801 5.889 -14.082 1159 2HB SER 41 1HB SER 41 -2.435 7.200 -15.077 1160 HG SER 41 HG SER 41 -1.721 8.640 -13.671 1161 H GLN 42 H GLN 42 -5.236 7.044 -15.456 1162 HA GLN 42 HA GLN 42 -5.648 9.839 -15.005 1163 1HB GLN 42 2HB GLN 42 -6.675 7.836 -16.985 1164 2HB GLN 42 1HB GLN 42 -7.431 9.419 -16.874 1165 1HG GLN 42 2HG GLN 42 -5.680 9.201 -18.633 1166 2HG GLN 42 1HG GLN 42 -5.430 10.517 -17.491 1167 1HE2 GLN 42 1HE2 GLN 42 -3.939 8.085 -19.104 1168 2HE2 GLN 42 2HE2 GLN 42 -2.563 7.855 -18.085 1169 H TRP 43 H TRP 43 -7.518 6.921 -14.424 1170 HA TRP 43 HA TRP 43 -9.943 8.158 -13.810 1171 1HB TRP 43 2HB TRP 43 -8.725 5.561 -13.011 1172 2HB TRP 43 1HB TRP 43 -10.252 6.072 -12.319 1173 HD1 TRP 43 HD TRP 43 -9.828 3.513 -14.139 1174 HE1 TRP 43 1HE TRP 43 -11.218 3.243 -16.251 1175 HE3 TRP 43 3HE TRP 43 -11.236 8.411 -14.946 1176 HZ2 TRP 43 2HZ TRP 43 -12.708 4.798 -18.032 1177 HZ3 TRP 43 3HZ TRP 43 -12.644 8.896 -16.883 1178 HH2 TRP 43 HH TRP 43 -13.371 7.130 -18.396 1179 H THR 44 H THR 44 -7.375 7.056 -11.629 1180 HA THR 44 HA THR 44 -8.529 7.920 -9.266 1181 HB THR 44 HB THR 44 -6.406 6.515 -9.666 1182 HG1 THR 44 1HG THR 44 -7.038 6.806 -7.611 1183 1HG2 THR 44 1HG2 THR 44 -5.009 8.090 -10.807 1184 2HG2 THR 44 2HG2 THR 44 -4.307 7.707 -9.234 1185 3HG2 THR 44 3HG2 THR 44 -5.155 9.235 -9.472 1186 H SER 45 H SER 45 -7.054 9.777 -11.772 1187 HA SER 45 HA SER 45 -6.629 12.141 -10.205 1188 1HB SER 45 2HB SER 45 -6.094 11.307 -12.891 1189 2HB SER 45 1HB SER 45 -7.014 12.808 -12.953 1190 HG SER 45 HG SER 45 -5.222 13.762 -12.463 1191 H SER 46 H SER 46 -9.134 10.795 -12.264 1192 HA SER 46 HA SER 46 -10.928 12.999 -12.126 1193 1HB SER 46 2HB SER 46 -11.152 10.116 -12.901 1194 2HB SER 46 1HB SER 46 -12.629 11.025 -12.594 1195 HG SER 46 HG SER 46 -12.387 11.703 -14.562 1196 H CYS 47 H CYS 47 -10.274 10.186 -10.158 1197 HA CYS 47 HA CYS 47 -12.471 10.313 -8.390 1198 1HB CYS 47 2HB CYS 47 -11.203 8.348 -8.191 1199 2HB CYS 47 1HB CYS 47 -9.688 9.199 -8.300 1200 HG CYS 47 HG CYS 47 -9.655 9.501 -5.823 1201 H LEU 48 H LEU 48 -9.335 11.855 -8.507 1202 HA LEU 48 HA LEU 48 -9.485 13.173 -6.035 1203 1HB LEU 48 2HB LEU 48 -7.810 13.345 -8.473 1204 2HB LEU 48 1HB LEU 48 -7.819 14.739 -7.420 1205 HG LEU 48 HG LEU 48 -6.650 13.692 -5.774 1206 1HD1 LEU 48 1HD1 LEU 48 -7.843 11.080 -6.683 1207 2HD1 LEU 48 2HD1 LEU 48 -8.247 11.986 -5.230 1208 3HD1 LEU 48 3HD1 LEU 48 -6.663 11.241 -5.384 1209 1HD2 LEU 48 1HD2 LEU 48 -4.980 12.107 -6.782 1210 2HD2 LEU 48 2HD2 LEU 48 -5.162 13.644 -7.627 1211 3HD2 LEU 48 3HD2 LEU 48 -5.915 12.187 -8.275 1212 H GLU 49 H GLU 49 -10.559 14.038 -9.282 1213 HA GLU 49 HA GLU 49 -11.304 16.672 -8.393 1214 1HB GLU 49 2HB GLU 49 -10.761 16.191 -10.796 1215 2HB GLU 49 1HB GLU 49 -12.302 15.338 -10.894 1216 1HG GLU 49 2HG GLU 49 -13.344 17.476 -9.967 1217 2HG GLU 49 1HG GLU 49 -11.817 18.247 -10.360 1218 H HIS 50 H HIS 50 -12.815 13.558 -8.791 1219 HA HIS 50 HA HIS 50 -15.440 14.600 -8.149 1220 1HB HIS 50 2HB HIS 50 -14.327 11.840 -8.669 1221 2HB HIS 50 1HB HIS 50 -15.953 12.052 -8.035 1222 HD1 HIS 50 1HD HIS 50 -17.653 13.349 -9.621 1223 HD2 HIS 50 2HD HIS 50 -14.050 12.235 -11.368 1224 HE1 HIS 50 1HE HIS 50 -18.021 13.544 -12.102 1225 HE2 HIS 50 2HE HIS 50 -15.800 12.952 -13.134 1226 H CYS 51 H CYS 51 -12.736 14.140 -6.328 1227 HA CYS 51 HA CYS 51 -14.140 13.098 -3.978 1228 1HB CYS 51 2HB CYS 51 -11.860 12.157 -4.462 1229 2HB CYS 51 1HB CYS 51 -11.189 13.782 -4.364 1230 HG CYS 51 HG CYS 51 -12.416 13.408 -1.765 1231 H ILE 52 H ILE 52 -12.106 15.716 -5.102 1232 HA ILE 52 HA ILE 52 -12.418 17.534 -3.004 1233 HB ILE 52 HB ILE 52 -10.719 17.877 -4.652 1234 1HG1 ILE 52 2HG1 ILE 52 -12.719 19.951 -4.126 1235 2HG1 ILE 52 1HG1 ILE 52 -10.975 20.023 -4.027 1236 1HG2 ILE 52 1HG2 ILE 52 -11.022 18.089 -6.939 1237 2HG2 ILE 52 2HG2 ILE 52 -12.726 18.505 -6.780 1238 3HG2 ILE 52 3HG2 ILE 52 -12.194 16.860 -6.502 1239 1HD1 ILE 52 1HD1 ILE 52 -11.943 21.630 -5.573 1240 2HD1 ILE 52 2HD1 ILE 52 -12.568 20.290 -6.532 1241 3HD1 ILE 52 3HD1 ILE 52 -10.828 20.508 -6.352 1242 H LYS 53 H LYS 53 -14.263 17.212 -6.027 1243 HA LYS 53 HA LYS 53 -15.982 19.364 -5.632 1244 1HB LYS 53 2HB LYS 53 -16.428 16.792 -7.144 1245 2HB LYS 53 1HB LYS 53 -17.417 18.237 -7.308 1246 1HG LYS 53 2HG LYS 53 -14.461 18.332 -7.738 1247 2HG LYS 53 1HG LYS 53 -15.557 17.838 -9.030 1248 1HD LYS 53 2HD LYS 53 -15.362 20.077 -9.420 1249 2HD LYS 53 1HD LYS 53 -16.772 20.038 -8.378 1250 1HE LYS 53 2HE LYS 53 -14.534 20.193 -6.681 1251 2HE LYS 53 1HE LYS 53 -14.276 21.371 -7.963 1252 1HZ LYS 53 1HZ LYS 53 -16.169 22.535 -7.391 1253 2HZ LYS 53 2HZ LYS 53 -15.577 22.064 -5.879 1254 3HZ LYS 53 3HZ LYS 53 -16.872 21.228 -6.576 1255 H ARG 54 H ARG 54 -16.087 16.119 -4.379 1256 HA ARG 54 HA ARG 54 -18.775 16.352 -3.383 1257 1HB ARG 54 2HB ARG 54 -16.652 14.318 -3.367 1258 2HB ARG 54 1HB ARG 54 -17.608 14.353 -1.891 1259 1HG ARG 54 2HG ARG 54 -18.612 13.955 -4.697 1260 2HG ARG 54 1HG ARG 54 -18.565 12.764 -3.398 1261 1HD ARG 54 2HD ARG 54 -20.661 13.371 -2.940 1262 2HD ARG 54 1HD ARG 54 -19.987 14.869 -2.304 1263 HE ARG 54 HE ARG 54 -20.302 15.170 -5.058 1264 1HH1 ARG 54 1HH1 ARG 54 -22.307 14.763 -2.221 1265 2HH1 ARG 54 2HH1 ARG 54 -23.646 15.627 -2.897 1266 1HH2 ARG 54 1HH2 ARG 54 -22.064 16.303 -5.938 1267 2HH2 ARG 54 2HH2 ARG 54 -23.510 16.499 -5.004 1268 H LEU 55 H LEU 55 -15.517 16.912 -2.229 1269 HA LEU 55 HA LEU 55 -16.196 17.277 0.510 1270 1HB LEU 55 2HB LEU 55 -13.827 18.186 -1.122 1271 2HB LEU 55 1HB LEU 55 -13.949 18.383 0.619 1272 HG LEU 55 HG LEU 55 -14.061 15.718 -0.781 1273 1HD1 LEU 55 1HD1 LEU 55 -11.842 17.260 -0.647 1274 2HD1 LEU 55 2HD1 LEU 55 -11.840 15.498 -0.667 1275 3HD1 LEU 55 3HD1 LEU 55 -11.730 16.361 0.866 1276 1HD2 LEU 55 1HD2 LEU 55 -13.671 14.853 1.484 1277 2HD2 LEU 55 2HD2 LEU 55 -15.199 15.720 1.326 1278 3HD2 LEU 55 3HD2 LEU 55 -13.821 16.495 2.108 1279 H THR 56 H THR 56 -16.208 19.315 -2.304 1280 HA THR 56 HA THR 56 -16.441 21.788 -0.871 1281 HB THR 56 HB THR 56 -16.664 22.821 -2.975 1282 HG1 THR 56 1HG THR 56 -18.244 21.893 -4.058 1283 1HG2 THR 56 1HG2 THR 56 -15.276 20.631 -4.261 1284 2HG2 THR 56 2HG2 THR 56 -14.631 20.989 -2.660 1285 3HG2 THR 56 3HG2 THR 56 -14.719 22.258 -3.881 1286 H ALA 57 H ALA 57 -18.597 19.416 -2.284 1287 HA ALA 57 HA ALA 57 -21.002 20.893 -2.036 1288 1HB ALA 57 1HB ALA 57 -21.307 19.108 -3.436 1289 2HB ALA 57 2HB ALA 57 -21.931 18.411 -1.941 1290 3HB ALA 57 3HB ALA 57 -20.291 18.037 -2.471 1291 H LEU 58 H LEU 58 -19.251 18.668 0.068 1292 HA LEU 58 HA LEU 58 -21.228 18.719 2.145 1293 1HB LEU 58 2HB LEU 58 -18.639 17.441 1.628 1294 2HB LEU 58 1HB LEU 58 -18.906 17.838 3.311 1295 HG LEU 58 HG LEU 58 -21.138 16.459 1.953 1296 1HD1 LEU 58 1HD1 LEU 58 -19.548 15.091 0.969 1297 2HD1 LEU 58 2HD1 LEU 58 -19.905 14.253 2.479 1298 3HD1 LEU 58 3HD1 LEU 58 -18.441 15.225 2.335 1299 1HD2 LEU 58 1HD2 LEU 58 -21.316 16.982 4.285 1300 2HD2 LEU 58 2HD2 LEU 58 -19.765 16.212 4.623 1301 3HD2 LEU 58 3HD2 LEU 58 -21.143 15.235 4.117 1302 H ASN 59 H ASN 59 -18.317 20.478 1.346 1303 HA ASN 59 HA ASN 59 -17.161 22.159 2.367 1304 1HB ASN 59 2HB ASN 59 -18.565 24.077 2.994 1305 2HB ASN 59 1HB ASN 59 -19.091 23.351 1.479 1306 1HD2 ASN 59 1HD2 ASN 59 -21.000 22.109 1.458 1307 2HD2 ASN 59 2HD2 ASN 59 -22.209 22.312 2.674 1308 H LYS 60 H LYS 60 -16.352 20.613 4.008 1309 HA LYS 60 HA LYS 60 -16.392 21.742 6.564 1310 1HB LYS 60 2HB LYS 60 -18.698 20.367 6.228 1311 2HB LYS 60 1HB LYS 60 -17.667 19.090 6.859 1312 1HG LYS 60 2HG LYS 60 -18.388 19.870 8.839 1313 2HG LYS 60 1HG LYS 60 -17.094 21.050 8.607 1314 1HD LYS 60 2HD LYS 60 -18.713 22.603 7.603 1315 2HD LYS 60 1HD LYS 60 -19.999 21.427 7.879 1316 1HE LYS 60 2HE LYS 60 -19.147 21.537 10.353 1317 2HE LYS 60 1HE LYS 60 -18.489 23.092 9.842 1318 1HZ LYS 60 1HZ LYS 60 -21.262 22.277 10.206 1319 2HZ LYS 60 2HZ LYS 60 -20.949 23.313 8.906 1320 3HZ LYS 60 3HZ LYS 60 -20.529 23.778 10.477 1321 HA PRO 61 HA PRO 61 -14.860 22.119 7.757 1322 1HB PRO 61 2HB PRO 61 -12.220 22.695 7.779 1323 2HB PRO 61 1HB PRO 61 -12.979 21.677 8.996 1324 1HG PRO 61 2HG PRO 61 -11.321 20.909 6.649 1325 2HG PRO 61 1HG PRO 61 -11.416 20.164 8.251 1326 1HD PRO 61 2HD PRO 61 -12.649 19.195 5.979 1327 2HD PRO 61 1HD PRO 61 -13.139 18.814 7.638 1328 H PHE 62 H PHE 62 -11.941 22.574 5.823 1329 HA PHE 62 HA PHE 62 -13.457 23.891 3.714 1330 1HB PHE 62 2HB PHE 62 -12.820 25.510 5.634 1331 2HB PHE 62 1HB PHE 62 -11.180 25.364 5.011 1332 HD1 PHE 62 1HD PHE 62 -14.515 25.679 3.366 1333 HD2 PHE 62 2HD PHE 62 -10.600 27.267 3.875 1334 HE1 PHE 62 1HE PHE 62 -15.004 27.411 1.687 1335 HE2 PHE 62 2HE PHE 62 -11.082 29.003 2.198 1336 HZ PHE 62 HZ PHE 62 -13.286 29.076 1.103 1337 H LYS 63 H LYS 63 -10.080 23.614 4.853 1338 HA LYS 63 HA LYS 63 -9.124 23.269 2.157 1339 1HB LYS 63 2HB LYS 63 -7.856 24.492 3.930 1340 2HB LYS 63 1HB LYS 63 -7.604 22.956 4.748 1341 1HG LYS 63 2HG LYS 63 -6.080 22.230 3.220 1342 2HG LYS 63 1HG LYS 63 -6.794 23.160 1.901 1343 1HD LYS 63 2HD LYS 63 -5.634 25.054 2.425 1344 2HD LYS 63 1HD LYS 63 -5.577 24.672 4.148 1345 1HE LYS 63 2HE LYS 63 -4.073 22.664 3.147 1346 2HE LYS 63 1HE LYS 63 -3.725 23.937 1.976 1347 1HZ LYS 63 1HZ LYS 63 -2.654 25.184 3.512 1348 2HZ LYS 63 2HZ LYS 63 -2.372 23.672 4.215 1349 3HZ LYS 63 3HZ LYS 63 -3.614 24.659 4.802 1350 H TYR 64 H TYR 64 -9.476 21.391 1.154 1351 HA TYR 64 HA TYR 64 -8.985 18.907 2.664 1352 1HB TYR 64 2HB TYR 64 -11.144 19.704 0.826 1353 2HB TYR 64 1HB TYR 64 -10.478 18.105 0.520 1354 HD1 TYR 64 1HD TYR 64 -10.072 16.757 2.866 1355 HD2 TYR 64 2HD TYR 64 -13.018 19.741 2.153 1356 HE1 TYR 64 1HE TYR 64 -11.441 15.829 4.683 1357 HE2 TYR 64 2HE TYR 64 -14.396 18.822 3.969 1358 HH TYR 64 HH TYR 64 -14.649 16.549 5.121 1359 H VAL 65 H VAL 65 -7.467 17.558 1.925 1360 HA VAL 65 HA VAL 65 -6.267 18.143 -0.692 1361 HB VAL 65 HB VAL 65 -5.064 17.799 1.875 1362 1HG1 VAL 65 1HG1 VAL 65 -4.705 15.458 1.549 1363 2HG1 VAL 65 2HG1 VAL 65 -3.180 16.252 1.182 1364 3HG1 VAL 65 3HG1 VAL 65 -4.224 15.701 -0.126 1365 1HG2 VAL 65 1HG2 VAL 65 -4.285 19.474 0.526 1366 2HG2 VAL 65 2HG2 VAL 65 -4.076 18.395 -0.855 1367 3HG2 VAL 65 3HG2 VAL 65 -2.985 18.282 0.528 1368 H VAL 66 H VAL 66 -6.160 16.545 -2.205 1369 HA VAL 66 HA VAL 66 -6.920 13.839 -1.357 1370 HB VAL 66 HB VAL 66 -7.946 14.891 -3.967 1371 1HG1 VAL 66 1HG1 VAL 66 -7.859 12.450 -3.344 1372 2HG1 VAL 66 2HG1 VAL 66 -9.441 13.064 -3.822 1373 3HG1 VAL 66 3HG1 VAL 66 -9.070 12.807 -2.117 1374 1HG2 VAL 66 1HG2 VAL 66 -8.791 16.447 -2.263 1375 2HG2 VAL 66 2HG2 VAL 66 -9.404 15.084 -1.326 1376 3HG2 VAL 66 3HG2 VAL 66 -10.083 15.437 -2.914 1377 H THR 67 H THR 67 -5.266 12.545 -1.837 1378 HA THR 67 HA THR 67 -4.095 12.774 -4.508 1379 HB THR 67 HB THR 67 -2.437 13.862 -3.221 1380 HG1 THR 67 1HG THR 67 -1.597 11.162 -3.370 1381 1HG2 THR 67 1HG2 THR 67 -3.380 12.551 -1.049 1382 2HG2 THR 67 2HG2 THR 67 -1.868 13.458 -1.109 1383 3HG2 THR 67 3HG2 THR 67 -1.858 11.709 -1.340 1384 H CYS 68 H CYS 68 -3.458 10.920 -5.472 1385 HA CYS 68 HA CYS 68 -4.006 8.422 -4.016 1386 1HB CYS 68 2HB CYS 68 -4.932 9.312 -6.730 1387 2HB CYS 68 1HB CYS 68 -4.775 7.602 -6.353 1388 HG CYS 68 HG CYS 68 -6.600 9.292 -4.525 1389 H ILE 69 H ILE 69 -2.886 6.567 -4.769 1390 HA ILE 69 HA ILE 69 -0.655 7.014 -6.605 1391 HB ILE 69 HB ILE 69 -0.380 5.996 -3.775 1392 1HG1 ILE 69 2HG1 ILE 69 1.438 8.009 -4.978 1393 2HG1 ILE 69 1HG1 ILE 69 -0.200 8.521 -4.597 1394 1HG2 ILE 69 1HG2 ILE 69 1.712 5.888 -5.938 1395 2HG2 ILE 69 2HG2 ILE 69 0.861 4.499 -5.260 1396 3HG2 ILE 69 3HG2 ILE 69 1.941 5.455 -4.244 1397 1HD1 ILE 69 1HD1 ILE 69 1.756 7.308 -2.664 1398 2HD1 ILE 69 2HD1 ILE 69 0.117 7.836 -2.283 1399 3HD1 ILE 69 3HD1 ILE 69 1.331 9.015 -2.780 1400 H ILE 70 H ILE 70 -0.711 5.451 -8.088 1401 HA ILE 70 HA ILE 70 -2.159 2.982 -7.477 1402 HB ILE 70 HB ILE 70 -2.235 2.604 -9.889 1403 1HG1 ILE 70 2HG1 ILE 70 -1.507 5.004 -11.062 1404 2HG1 ILE 70 1HG1 ILE 70 -0.227 4.737 -9.882 1405 1HG2 ILE 70 1HG2 ILE 70 -3.401 4.976 -10.372 1406 2HG2 ILE 70 2HG2 ILE 70 -3.299 5.037 -8.612 1407 3HG2 ILE 70 3HG2 ILE 70 -4.142 3.703 -9.402 1408 1HD1 ILE 70 1HD1 ILE 70 -0.893 3.239 -12.336 1409 2HD1 ILE 70 2HD1 ILE 70 -0.299 2.307 -10.961 1410 3HD1 ILE 70 3HD1 ILE 70 0.675 3.621 -11.623 1411 H MET 71 H MET 71 -1.302 0.983 -7.634 1412 HA MET 71 HA MET 71 1.570 0.776 -8.249 1413 1HB MET 71 2HB MET 71 0.008 -0.621 -6.070 1414 2HB MET 71 1HB MET 71 1.645 -1.061 -6.539 1415 1HG MET 71 2HG MET 71 2.185 0.316 -4.851 1416 2HG MET 71 1HG MET 71 2.006 1.551 -6.096 1417 1HE MET 71 1HE MET 71 -0.614 0.865 -2.431 1418 2HE MET 71 2HE MET 71 1.093 0.478 -2.640 1419 3HE MET 71 3HE MET 71 -0.136 -0.492 -3.451 1420 H GLN 72 H GLN 72 1.884 -0.415 -9.999 1421 HA GLN 72 HA GLN 72 -0.061 -1.917 -11.313 1422 1HB GLN 72 2HB GLN 72 2.347 -1.021 -12.025 1423 2HB GLN 72 1HB GLN 72 2.795 -2.681 -11.659 1424 1HG GLN 72 2HG GLN 72 1.304 -3.534 -13.295 1425 2HG GLN 72 1HG GLN 72 0.558 -1.954 -13.527 1426 1HE2 GLN 72 1HE2 GLN 72 1.428 -3.270 -15.697 1427 2HE2 GLN 72 2HE2 GLN 72 2.852 -2.531 -16.336 1428 H LYS 73 H LYS 73 -0.297 -4.181 -11.620 1429 HA LYS 73 HA LYS 73 -0.363 -5.703 -9.290 1430 1HB LYS 73 2HB LYS 73 -1.498 -6.009 -11.663 1431 2HB LYS 73 1HB LYS 73 -0.137 -7.090 -11.920 1432 1HG LYS 73 2HG LYS 73 -1.826 -7.359 -9.471 1433 2HG LYS 73 1HG LYS 73 -2.365 -8.034 -11.009 1434 1HD LYS 73 2HD LYS 73 -0.821 -9.681 -10.975 1435 2HD LYS 73 1HD LYS 73 0.420 -8.640 -10.273 1436 1HE LYS 73 2HE LYS 73 -0.117 -9.207 -8.155 1437 2HE LYS 73 1HE LYS 73 -1.842 -9.294 -8.505 1438 1HZ LYS 73 1HZ LYS 73 -1.165 -11.413 -9.795 1439 2HZ LYS 73 2HZ LYS 73 -1.310 -11.480 -8.112 1440 3HZ LYS 73 3HZ LYS 73 0.219 -11.367 -8.823 1441 H ASN 74 H ASN 74 1.651 -5.644 -8.267 1442 HA ASN 74 HA ASN 74 3.389 -7.782 -8.873 1443 1HB ASN 74 2HB ASN 74 5.425 -6.536 -9.432 1444 2HB ASN 74 1HB ASN 74 4.176 -6.274 -10.645 1445 1HD2 ASN 74 1HD2 ASN 74 6.059 -4.859 -8.114 1446 2HD2 ASN 74 2HD2 ASN 74 5.616 -3.216 -8.417 1447 H GLY 75 H GLY 75 3.765 -8.455 -6.875 1448 1HA GLY 75 2HA GLY 75 3.600 -6.817 -4.581 1449 2HA GLY 75 1HA GLY 75 4.246 -8.452 -4.629 1450 H ALA 76 H ALA 76 5.014 -5.047 -4.972 1451 HA ALA 76 HA ALA 76 7.871 -5.711 -4.665 1452 1HB ALA 76 1HB ALA 76 7.762 -4.606 -6.697 1453 2HB ALA 76 2HB ALA 76 8.148 -3.299 -5.575 1454 3HB ALA 76 3HB ALA 76 6.493 -3.509 -6.149 1455 H GLY 77 H GLY 77 9.039 -4.754 -3.052 1456 1HA GLY 77 2HA GLY 77 7.650 -3.831 -0.769 1457 2HA GLY 77 1HA GLY 77 9.392 -3.787 -0.998 1458 H LEU 78 H LEU 78 6.581 -1.958 -0.734 1459 HA LEU 78 HA LEU 78 8.008 0.449 -1.663 1460 1HB LEU 78 2HB LEU 78 5.956 -0.328 -3.004 1461 2HB LEU 78 1HB LEU 78 5.014 0.194 -1.621 1462 HG LEU 78 HG LEU 78 6.265 2.460 -1.949 1463 1HD1 LEU 78 1HD1 LEU 78 6.519 1.230 -4.689 1464 2HD1 LEU 78 2HD1 LEU 78 7.851 1.658 -3.614 1465 3HD1 LEU 78 3HD1 LEU 78 6.817 2.921 -4.284 1466 1HD2 LEU 78 1HD2 LEU 78 4.224 1.726 -4.025 1467 2HD2 LEU 78 2HD2 LEU 78 4.450 3.266 -3.198 1468 3HD2 LEU 78 3HD2 LEU 78 3.814 1.878 -2.316 1469 H HIS 79 H HIS 79 8.616 1.611 0.032 1470 HA HIS 79 HA HIS 79 6.817 1.748 2.363 1471 1HB HIS 79 2HB HIS 79 9.767 1.513 2.132 1472 2HB HIS 79 1HB HIS 79 9.154 2.550 3.415 1473 HD1 HIS 79 1HD HIS 79 10.363 -0.656 3.145 1474 HD2 HIS 79 2HD HIS 79 6.816 0.851 4.700 1475 HE1 HIS 79 1HE HIS 79 9.521 -2.418 4.731 1476 HE2 HIS 79 2HE HIS 79 7.334 -1.519 5.598 1477 H THR 80 H THR 80 6.454 3.736 3.341 1478 HA THR 80 HA THR 80 7.391 6.092 1.837 1479 HB THR 80 HB THR 80 4.670 5.827 3.122 1480 HG1 THR 80 1HG THR 80 3.891 5.181 1.238 1481 1HG2 THR 80 1HG2 THR 80 6.055 7.968 1.674 1482 2HG2 THR 80 2HG2 THR 80 4.731 8.045 2.836 1483 3HG2 THR 80 3HG2 THR 80 4.403 7.644 1.151 1484 H ALA 81 H ALA 81 7.595 8.050 3.038 1485 HA ALA 81 HA ALA 81 7.539 7.783 5.961 1486 1HB ALA 81 1HB ALA 81 9.745 8.511 6.277 1487 2HB ALA 81 2HB ALA 81 9.907 9.036 4.602 1488 3HB ALA 81 3HB ALA 81 9.865 7.315 4.987 1489 H ALA 82 H ALA 82 7.218 9.753 7.064 1490 HA ALA 82 HA ALA 82 7.150 12.213 5.581 1491 1HB ALA 82 1HB ALA 82 4.713 12.601 6.103 1492 2HB ALA 82 2HB ALA 82 4.609 10.862 6.381 1493 3HB ALA 82 3HB ALA 82 5.085 11.474 4.797 1494 H SER 83 H SER 83 7.207 13.990 6.780 1495 HA SER 83 HA SER 83 6.705 13.851 9.648 1496 1HB SER 83 2HB SER 83 9.164 13.347 9.119 1497 2HB SER 83 1HB SER 83 9.282 15.026 8.601 1498 HG SER 83 HG SER 83 9.401 14.053 11.070 1499 H CYS 84 H CYS 84 5.380 15.496 10.057 1500 HA CYS 84 HA CYS 84 5.633 17.934 8.432 1501 1HB CYS 84 2HB CYS 84 3.193 17.103 9.953 1502 2HB CYS 84 1HB CYS 84 3.313 18.322 8.698 1503 HG CYS 84 HG CYS 84 2.254 15.970 7.885 1504 H TRP 85 H TRP 85 5.141 19.965 9.481 1505 HA TRP 85 HA TRP 85 6.452 20.158 12.024 1506 1HB TRP 85 2HB TRP 85 6.159 21.845 9.890 1507 2HB TRP 85 1HB TRP 85 4.999 22.525 11.028 1508 HD1 TRP 85 HD TRP 85 8.707 21.380 11.126 1509 HE1 TRP 85 1HE TRP 85 10.008 23.039 12.592 1510 HE3 TRP 85 3HE TRP 85 4.846 24.423 12.530 1511 HZ2 TRP 85 2HZ TRP 85 9.473 25.339 14.145 1512 HZ3 TRP 85 3HZ TRP 85 5.326 26.330 14.009 1513 HH2 TRP 85 HH TRP 85 7.592 26.777 14.799 1514 H TRP 86 H TRP 86 4.829 22.342 13.120 1515 HA TRP 86 HA TRP 86 2.842 20.686 14.429 1516 1HB TRP 86 2HB TRP 86 4.082 23.348 14.952 1517 2HB TRP 86 1HB TRP 86 2.505 23.015 15.661 1518 HD1 TRP 86 HD TRP 86 4.993 20.150 15.366 1519 HE1 TRP 86 1HE TRP 86 5.790 19.492 17.723 1520 HE3 TRP 86 3HE TRP 86 2.920 23.991 18.023 1521 HZ2 TRP 86 2HZ TRP 86 5.569 20.472 20.361 1522 HZ3 TRP 86 3HZ TRP 86 3.259 24.058 20.460 1523 HH2 TRP 86 HH TRP 86 4.555 22.334 21.603 1524 H ASP 87 H ASP 87 0.682 20.857 14.256 1525 HA ASP 87 HA ASP 87 -0.811 23.025 13.373 1526 1HB ASP 87 2HB ASP 87 0.556 22.078 11.216 1527 2HB ASP 87 1HB ASP 87 -0.919 21.122 11.110 1528 H SER 88 H SER 88 -1.977 22.147 15.146 1529 HA SER 88 HA SER 88 -3.157 19.526 14.930 1530 1HB SER 88 2HB SER 88 -2.443 20.852 17.077 1531 2HB SER 88 1HB SER 88 -4.055 21.554 16.941 1532 HG SER 88 HG SER 88 -4.699 19.801 17.889 1533 H THR 89 H THR 89 -3.909 22.266 13.316 1534 HA THR 89 HA THR 89 -6.806 21.862 13.554 1535 HB THR 89 HB THR 89 -6.430 24.123 13.945 1536 HG1 THR 89 1HG THR 89 -7.673 24.855 12.444 1537 1HG2 THR 89 1HG2 THR 89 -4.056 24.232 13.360 1538 2HG2 THR 89 2HG2 THR 89 -4.972 25.584 12.696 1539 3HG2 THR 89 3HG2 THR 89 -4.489 24.252 11.650 1540 H THR 90 H THR 90 -4.293 22.385 11.061 1541 HA THR 90 HA THR 90 -6.083 21.507 8.996 1542 HB THR 90 HB THR 90 -4.390 22.163 7.477 1543 HG1 THR 90 1HG THR 90 -2.466 21.516 7.963 1544 1HG2 THR 90 1HG2 THR 90 -4.631 24.311 7.895 1545 2HG2 THR 90 2HG2 THR 90 -3.363 24.211 9.117 1546 3HG2 THR 90 3HG2 THR 90 -5.048 23.955 9.571 1547 H ASP 91 H ASP 91 -3.182 20.340 10.663 1548 HA ASP 91 HA ASP 91 -2.862 18.126 9.015 1549 1HB ASP 91 2HB ASP 91 -1.287 19.175 10.866 1550 2HB ASP 91 1HB ASP 91 -2.008 17.915 11.863 1551 H GLY 92 H GLY 92 -3.826 16.331 8.759 1552 1HA GLY 92 2HA GLY 92 -5.183 14.957 10.932 1553 2HA GLY 92 1HA GLY 92 -6.200 15.464 9.584 1554 H SER 93 H SER 93 -5.267 14.902 7.389 1555 HA SER 93 HA SER 93 -4.806 13.306 5.855 1556 1HB SER 93 2HB SER 93 -2.610 12.736 7.838 1557 2HB SER 93 1HB SER 93 -2.665 12.071 6.207 1558 HG SER 93 HG SER 93 -1.840 14.497 7.020 1559 H ARG 94 H ARG 94 -5.743 11.505 5.253 1560 HA ARG 94 HA ARG 94 -5.720 9.165 6.971 1561 1HB ARG 94 2HB ARG 94 -7.977 10.844 6.956 1562 2HB ARG 94 1HB ARG 94 -8.412 9.464 5.957 1563 1HG ARG 94 2HG ARG 94 -9.047 8.674 7.988 1564 2HG ARG 94 1HG ARG 94 -7.369 8.129 7.986 1565 1HD ARG 94 2HD ARG 94 -7.002 10.545 9.038 1566 2HD ARG 94 1HD ARG 94 -8.670 10.290 9.545 1567 HE ARG 94 HE ARG 94 -7.960 8.659 11.004 1568 1HH1 ARG 94 1HH1 ARG 94 -5.312 9.527 8.887 1569 2HH1 ARG 94 2HH1 ARG 94 -4.135 8.657 9.810 1570 1HH2 ARG 94 1HH2 ARG 94 -6.406 7.521 12.206 1571 2HH2 ARG 94 2HH2 ARG 94 -4.753 7.520 11.690 1572 H THR 95 H THR 95 -4.812 7.749 5.611 1573 HA THR 95 HA THR 95 -5.437 7.856 2.781 1574 HB THR 95 HB THR 95 -3.087 7.664 3.532 1575 HG1 THR 95 1HG THR 95 -3.936 6.796 1.471 1576 1HG2 THR 95 1HG2 THR 95 -2.231 5.511 4.234 1577 2HG2 THR 95 2HG2 THR 95 -3.876 4.881 4.329 1578 3HG2 THR 95 3HG2 THR 95 -3.360 6.170 5.418 1579 H VAL 96 H VAL 96 -6.137 6.078 1.540 1580 HA VAL 96 HA VAL 96 -7.368 3.867 3.042 1581 HB VAL 96 HB VAL 96 -8.753 5.376 0.824 1582 1HG1 VAL 96 1HG1 VAL 96 -9.828 3.241 2.657 1583 2HG1 VAL 96 2HG1 VAL 96 -9.313 2.975 0.992 1584 3HG1 VAL 96 3HG1 VAL 96 -10.684 4.031 1.332 1585 1HG2 VAL 96 1HG2 VAL 96 -10.157 6.391 2.421 1586 2HG2 VAL 96 2HG2 VAL 96 -8.510 6.622 3.008 1587 3HG2 VAL 96 3HG2 VAL 96 -9.535 5.378 3.724 1588 H ARG 97 H ARG 97 -6.473 2.038 2.267 1589 HA ARG 97 HA ARG 97 -5.355 1.956 -0.396 1590 1HB ARG 97 2HB ARG 97 -4.781 0.660 1.973 1591 2HB ARG 97 1HB ARG 97 -5.556 -0.601 1.024 1592 1HG ARG 97 2HG ARG 97 -3.338 -0.867 0.475 1593 2HG ARG 97 1HG ARG 97 -3.922 0.150 -0.843 1594 1HD ARG 97 2HD ARG 97 -1.847 1.058 -0.105 1595 2HD ARG 97 1HD ARG 97 -3.125 2.137 0.452 1596 HE ARG 97 HE ARG 97 -2.583 1.620 2.617 1597 1HH1 ARG 97 1HH1 ARG 97 -1.027 -0.682 0.490 1598 2HH1 ARG 97 2HH1 ARG 97 -0.069 -1.381 1.751 1599 1HH2 ARG 97 1HH2 ARG 97 -1.320 0.697 4.267 1600 2HH2 ARG 97 2HH2 ARG 97 -0.234 -0.600 3.892 1601 H TRP 98 H TRP 98 -6.710 1.785 -2.040 1602 HA TRP 98 HA TRP 98 -9.016 -0.055 -1.868 1603 1HB TRP 98 2HB TRP 98 -8.743 2.666 -2.680 1604 2HB TRP 98 1HB TRP 98 -9.127 1.738 -4.115 1605 HD1 TRP 98 HD TRP 98 -11.440 2.898 -4.338 1606 HE1 TRP 98 1HE TRP 98 -13.690 2.638 -3.140 1607 HE3 TRP 98 3HE TRP 98 -9.867 0.305 -0.215 1608 HZ2 TRP 98 2HZ TRP 98 -14.670 1.478 -0.767 1609 HZ3 TRP 98 3HZ TRP 98 -11.526 -0.340 1.464 1610 HH2 TRP 98 HH TRP 98 -13.881 0.236 1.199 1611 H GLU 99 H GLU 99 -8.918 -1.841 -3.099 1612 HA GLU 99 HA GLU 99 -7.179 -1.800 -5.478 1613 1HB GLU 99 2HB GLU 99 -7.540 -4.259 -3.781 1614 2HB GLU 99 1HB GLU 99 -6.335 -3.957 -5.022 1615 1HG GLU 99 2HG GLU 99 -5.159 -2.437 -3.628 1616 2HG GLU 99 1HG GLU 99 -6.459 -2.430 -2.437 1617 H ASN 100 H ASN 100 -7.732 -3.531 -7.062 1618 HA ASN 100 HA ASN 100 -10.636 -4.032 -7.061 1619 1HB ASN 100 2HB ASN 100 -10.366 -4.014 -9.611 1620 2HB ASN 100 1HB ASN 100 -10.287 -2.464 -8.780 1621 1HD2 ASN 100 1HD2 ASN 100 -9.049 -3.905 -11.278 1622 2HD2 ASN 100 2HD2 ASN 100 -7.416 -3.343 -11.246 1623 H LYS 101 H LYS 101 -7.595 -5.243 -8.504 1624 HA LYS 101 HA LYS 101 -7.936 -7.881 -7.635 1625 1HB LYS 101 2HB LYS 101 -9.849 -7.974 -9.123 1626 2HB LYS 101 1HB LYS 101 -8.890 -7.354 -10.457 1627 1HG LYS 101 2HG LYS 101 -7.923 -9.843 -9.198 1628 2HG LYS 101 1HG LYS 101 -9.431 -9.949 -10.109 1629 1HD LYS 101 2HD LYS 101 -6.832 -8.824 -11.154 1630 2HD LYS 101 1HD LYS 101 -7.460 -10.435 -11.505 1631 1HE LYS 101 2HE LYS 101 -9.583 -9.048 -12.254 1632 2HE LYS 101 1HE LYS 101 -8.380 -7.779 -12.473 1633 1HZ LYS 101 1HZ LYS 101 -7.114 -9.597 -13.761 1634 2HZ LYS 101 2HZ LYS 101 -8.409 -8.813 -14.515 1635 3HZ LYS 101 3HZ LYS 101 -8.619 -10.361 -13.867 1636 H SER 102 H SER 102 -6.861 -6.088 -10.524 1637 HA SER 102 HA SER 102 -4.245 -7.426 -10.265 1638 1HB SER 102 2HB SER 102 -5.893 -7.590 -12.413 1639 2HB SER 102 1HB SER 102 -4.931 -6.181 -12.859 1640 HG SER 102 HG SER 102 -3.712 -7.803 -13.575 1641 H MET 103 H MET 103 -4.974 -5.048 -8.841 1642 HA MET 103 HA MET 103 -2.720 -3.460 -9.306 1643 1HB MET 103 2HB MET 103 -3.866 -2.721 -11.327 1644 2HB MET 103 1HB MET 103 -5.293 -2.300 -10.393 1645 1HG MET 103 2HG MET 103 -3.254 -0.874 -9.181 1646 2HG MET 103 1HG MET 103 -2.880 -0.779 -10.899 1647 1HE MET 103 1HE MET 103 -7.011 -0.673 -9.855 1648 2HE MET 103 2HE MET 103 -6.566 0.559 -8.674 1649 3HE MET 103 3HE MET 103 -5.792 -1.024 -8.630 1650 H TYR 104 H TYR 104 -2.345 -2.114 -7.606 1651 HA TYR 104 HA TYR 104 -4.486 -1.942 -5.588 1652 1HB TYR 104 2HB TYR 104 -1.512 -1.630 -5.127 1653 2HB TYR 104 1HB TYR 104 -2.769 -1.787 -3.904 1654 HD1 TYR 104 1HD TYR 104 -0.136 -3.478 -4.799 1655 HD2 TYR 104 2HD TYR 104 -4.349 -4.037 -4.967 1656 HE1 TYR 104 1HE TYR 104 0.193 -5.915 -4.784 1657 HE2 TYR 104 2HE TYR 104 -4.033 -6.476 -4.951 1658 HH TYR 104 HH TYR 104 -2.174 -8.086 -4.102 1659 H CYS 105 H CYS 105 -5.368 0.005 -5.301 1660 HA CYS 105 HA CYS 105 -3.766 2.370 -6.034 1661 1HB CYS 105 2HB CYS 105 -5.590 1.955 -7.632 1662 2HB CYS 105 1HB CYS 105 -6.755 2.009 -6.315 1663 HG CYS 105 HG CYS 105 -6.487 4.517 -6.156 1664 H ILE 106 H ILE 106 -3.158 3.350 -4.234 1665 HA ILE 106 HA ILE 106 -4.917 3.373 -1.906 1666 HB ILE 106 HB ILE 106 -2.659 2.879 -1.341 1667 1HG1 ILE 106 2HG1 ILE 106 -2.687 5.796 -0.660 1668 2HG1 ILE 106 1HG1 ILE 106 -3.939 4.744 -0.008 1669 1HG2 ILE 106 1HG2 ILE 106 -0.950 4.852 -1.902 1670 2HG2 ILE 106 2HG2 ILE 106 -2.038 5.005 -3.282 1671 3HG2 ILE 106 3HG2 ILE 106 -1.222 3.474 -2.969 1672 1HD1 ILE 106 1HD1 ILE 106 -1.399 5.197 1.027 1673 2HD1 ILE 106 2HD1 ILE 106 -1.341 3.570 0.351 1674 3HD1 ILE 106 3HD1 ILE 106 -2.566 3.983 1.551 1675 H CYS 107 H CYS 107 -6.030 5.107 -1.253 1676 HA CYS 107 HA CYS 107 -5.594 7.661 -2.648 1677 1HB CYS 107 2HB CYS 107 -8.095 7.957 -2.571 1678 2HB CYS 107 1HB CYS 107 -7.538 6.684 -3.649 1679 HG CYS 107 HG CYS 107 -9.562 5.806 -2.265 1680 H THR 108 H THR 108 -5.014 9.161 -1.200 1681 HA THR 108 HA THR 108 -6.099 8.922 1.516 1682 HB THR 108 HB THR 108 -3.571 8.727 1.150 1683 HG1 THR 108 1HG THR 108 -4.676 10.608 2.948 1684 1HG2 THR 108 1HG2 THR 108 -2.345 10.876 1.201 1685 2HG2 THR 108 2HG2 THR 108 -3.847 11.703 0.783 1686 3HG2 THR 108 3HG2 THR 108 -3.133 10.550 -0.343 1687 H VAL 109 H VAL 109 -6.777 10.708 2.637 1688 HA VAL 109 HA VAL 109 -7.157 13.158 1.077 1689 HB VAL 109 HB VAL 109 -9.346 12.625 2.973 1690 1HG1 VAL 109 1HG1 VAL 109 -9.085 13.670 0.173 1691 2HG1 VAL 109 2HG1 VAL 109 -9.537 14.537 1.642 1692 3HG1 VAL 109 3HG1 VAL 109 -10.656 13.379 0.920 1693 1HG2 VAL 109 1HG2 VAL 109 -10.586 11.102 1.547 1694 2HG2 VAL 109 2HG2 VAL 109 -9.085 10.354 2.092 1695 3HG2 VAL 109 3HG2 VAL 109 -9.211 10.981 0.448 1696 H PHE 110 H PHE 110 -6.418 14.894 2.138 1697 HA PHE 110 HA PHE 110 -6.000 14.631 5.024 1698 1HB PHE 110 2HB PHE 110 -4.726 16.655 3.208 1699 2HB PHE 110 1HB PHE 110 -4.403 16.455 4.907 1700 HD1 PHE 110 1HD PHE 110 -2.124 16.570 3.368 1701 HD2 PHE 110 2HD PHE 110 -4.660 13.192 3.887 1702 HE1 PHE 110 1HE PHE 110 -0.247 15.077 2.832 1703 HE2 PHE 110 2HE PHE 110 -2.789 11.698 3.349 1704 HZ PHE 110 HZ PHE 110 -0.577 12.639 2.821 1705 H GLY 111 H GLY 111 -7.784 15.235 5.964 1706 1HA GLY 111 2HA GLY 111 -9.396 17.419 4.983 1707 2HA GLY 111 1HA GLY 111 -9.741 16.414 6.385 1708 H LEU 112 H LEU 112 -7.898 19.133 5.190 1709 HA LEU 112 HA LEU 112 -6.951 19.797 7.823 1710 1HB LEU 112 2HB LEU 112 -6.674 21.052 5.114 1711 2HB LEU 112 1HB LEU 112 -6.097 21.856 6.558 1712 HG LEU 112 HG LEU 112 -4.364 20.321 6.881 1713 1HD1 LEU 112 1HD1 LEU 112 -5.829 18.284 6.669 1714 2HD1 LEU 112 2HD1 LEU 112 -4.204 18.127 6.007 1715 3HD1 LEU 112 3HD1 LEU 112 -5.573 18.388 4.930 1716 1HD2 LEU 112 1HD2 LEU 112 -3.850 21.615 4.991 1717 2HD2 LEU 112 2HD2 LEU 112 -4.813 20.571 3.944 1718 3HD2 LEU 112 3HD2 LEU 112 -3.327 19.962 4.673 1719 H ALA 113 H ALA 113 -7.930 20.977 9.269 1720 HA ALA 113 HA ALA 113 -10.541 21.867 9.021 1721 1HB ALA 113 1HB ALA 113 -8.419 22.893 10.883 1722 2HB ALA 113 2HB ALA 113 -9.545 21.573 11.180 1723 3HB ALA 113 3HB ALA 113 -10.140 23.227 11.043 1724 H ILE 114 H ILE 114 -8.023 24.282 9.549 1725 HA ILE 114 HA ILE 114 -9.364 26.007 7.577 1726 HB ILE 114 HB ILE 114 -7.637 26.938 9.869 1727 1HG1 ILE 114 2HG1 ILE 114 -9.644 25.785 10.721 1728 2HG1 ILE 114 1HG1 ILE 114 -9.707 27.517 11.037 1729 1HG2 ILE 114 1HG2 ILE 114 -8.312 29.101 9.338 1730 2HG2 ILE 114 2HG2 ILE 114 -9.679 28.542 8.375 1731 3HG2 ILE 114 3HG2 ILE 114 -8.035 28.358 7.763 1732 1HD1 ILE 114 1HD1 ILE 114 -10.988 27.344 8.643 1733 2HD1 ILE 114 2HD1 ILE 114 -11.777 27.371 10.221 1734 3HD1 ILE 114 3HD1 ILE 114 -11.458 25.833 9.420 Start of MODEL 7 1 1H MET 1 1HT MET 1 29.246 1.522 -16.462 2 HA MET 1 HA MET 1 30.489 0.188 -14.184 3 1HB MET 1 2HB MET 1 29.428 2.952 -14.764 4 2HB MET 1 1HB MET 1 29.651 2.361 -13.123 5 1HG MET 1 2HG MET 1 31.569 3.617 -13.645 6 2HG MET 1 1HG MET 1 32.052 1.924 -13.723 7 1HE MET 1 1HE MET 1 31.531 5.176 -15.244 8 2HE MET 1 2HE MET 1 32.103 5.083 -16.909 9 3HE MET 1 3HE MET 1 33.251 4.975 -15.575 10 H GLU 2 H GLU 2 28.250 -0.821 -15.807 11 HA GLU 2 HA GLU 2 26.239 -1.816 -15.458 12 1HB GLU 2 2HB GLU 2 27.384 -1.866 -12.996 13 2HB GLU 2 1HB GLU 2 25.928 -0.944 -12.653 14 1HG GLU 2 2HG GLU 2 24.746 -2.873 -13.948 15 2HG GLU 2 1HG GLU 2 26.215 -3.766 -13.557 16 H GLY 3 H GLY 3 26.028 0.956 -13.218 17 1HA GLY 3 2HA GLY 3 24.651 2.722 -14.820 18 2HA GLY 3 1HA GLY 3 23.424 1.656 -14.158 19 H VAL 4 H VAL 4 26.371 2.787 -12.553 20 HA VAL 4 HA VAL 4 24.763 3.749 -10.333 21 HB VAL 4 HB VAL 4 27.770 3.817 -10.586 22 1HG1 VAL 4 1HG1 VAL 4 25.844 4.110 -8.303 23 2HG1 VAL 4 2HG1 VAL 4 27.134 5.200 -8.809 24 3HG1 VAL 4 3HG1 VAL 4 27.530 3.661 -8.045 25 1HG2 VAL 4 1HG2 VAL 4 27.279 1.720 -8.948 26 2HG2 VAL 4 2HG2 VAL 4 27.593 1.572 -10.677 27 3HG2 VAL 4 3HG2 VAL 4 25.934 1.573 -10.078 28 H ASP 5 H ASP 5 23.918 5.728 -10.521 29 HA ASP 5 HA ASP 5 25.704 7.921 -11.282 30 1HB ASP 5 2HB ASP 5 23.952 6.980 -13.106 31 2HB ASP 5 1HB ASP 5 22.928 8.151 -12.281 32 HA PRO 6 HA PRO 6 23.613 9.148 -7.401 33 1HB PRO 6 2HB PRO 6 25.689 11.243 -7.417 34 2HB PRO 6 1HB PRO 6 25.313 10.044 -6.175 35 1HG PRO 6 2HG PRO 6 27.535 9.870 -7.665 36 2HG PRO 6 1HG PRO 6 26.646 8.426 -7.144 37 1HD PRO 6 2HD PRO 6 26.641 9.799 -9.807 38 2HD PRO 6 1HD PRO 6 26.676 8.061 -9.436 39 H ALA 7 H ALA 7 21.770 10.235 -7.750 40 HA ALA 7 HA ALA 7 20.304 11.887 -8.323 41 1HB ALA 7 1HB ALA 7 21.322 13.491 -7.038 42 2HB ALA 7 2HB ALA 7 21.446 14.226 -8.636 43 3HB ALA 7 3HB ALA 7 22.838 13.402 -7.934 44 H VAL 8 H VAL 8 19.779 10.966 -10.316 45 HA VAL 8 HA VAL 8 21.215 12.028 -12.653 46 HB VAL 8 HB VAL 8 19.135 10.019 -13.207 47 1HG1 VAL 8 1HG1 VAL 8 20.486 9.457 -14.907 48 2HG1 VAL 8 2HG1 VAL 8 21.958 9.620 -13.947 49 3HG1 VAL 8 3HG1 VAL 8 21.154 11.057 -14.580 50 1HG2 VAL 8 1HG2 VAL 8 20.944 8.209 -12.505 51 2HG2 VAL 8 2HG2 VAL 8 19.635 8.715 -11.439 52 3HG2 VAL 8 3HG2 VAL 8 21.248 9.396 -11.237 53 H GLU 9 H GLU 9 17.934 11.029 -11.857 54 HA GLU 9 HA GLU 9 16.848 12.997 -13.679 55 1HB GLU 9 2HB GLU 9 15.188 11.158 -12.001 56 2HB GLU 9 1HB GLU 9 14.888 11.767 -13.611 57 1HG GLU 9 2HG GLU 9 16.840 10.333 -14.362 58 2HG GLU 9 1HG GLU 9 16.720 9.558 -12.783 59 H GLU 10 H GLU 10 17.841 14.626 -12.063 60 HA GLU 10 HA GLU 10 16.656 15.135 -9.580 61 1HB GLU 10 2HB GLU 10 18.764 16.169 -10.453 62 2HB GLU 10 1HB GLU 10 17.780 17.187 -11.494 63 1HG GLU 10 2HG GLU 10 17.311 17.162 -8.547 64 2HG GLU 10 1HG GLU 10 18.637 18.101 -9.231 65 H ALA 11 H ALA 11 14.642 15.681 -9.094 66 HA ALA 11 HA ALA 11 12.983 16.946 -11.166 67 1HB ALA 11 1HB ALA 11 12.418 15.018 -8.988 68 2HB ALA 11 2HB ALA 11 11.793 15.085 -10.635 69 3HB ALA 11 3HB ALA 11 11.152 16.172 -9.403 70 H ALA 12 H ALA 12 11.753 18.748 -10.731 71 HA ALA 12 HA ALA 12 11.251 20.772 -9.829 72 1HB ALA 12 1HB ALA 12 10.364 19.129 -8.058 73 2HB ALA 12 2HB ALA 12 10.547 20.827 -7.617 74 3HB ALA 12 3HB ALA 12 11.752 19.647 -7.101 75 H PHE 13 H PHE 13 12.620 22.381 -10.143 76 HA PHE 13 HA PHE 13 15.141 22.414 -8.616 77 1HB PHE 13 2HB PHE 13 14.939 22.374 -11.321 78 2HB PHE 13 1HB PHE 13 14.936 24.110 -11.030 79 HD1 PHE 13 1HD PHE 13 17.017 21.870 -12.187 80 HD2 PHE 13 2HD PHE 13 16.745 24.381 -8.762 81 HE1 PHE 13 1HE PHE 13 19.469 21.831 -11.968 82 HE2 PHE 13 2HE PHE 13 19.195 24.347 -8.537 83 HZ PHE 13 HZ PHE 13 20.560 23.071 -10.141 84 H VAL 14 H VAL 14 12.581 23.393 -7.704 85 HA VAL 14 HA VAL 14 12.969 26.305 -7.736 86 HB VAL 14 HB VAL 14 10.580 24.784 -6.689 87 1HG1 VAL 14 1HG1 VAL 14 9.670 26.754 -6.153 88 2HG1 VAL 14 2HG1 VAL 14 10.222 27.520 -7.643 89 3HG1 VAL 14 3HG1 VAL 14 11.309 27.393 -6.262 90 1HG2 VAL 14 1HG2 VAL 14 11.336 24.891 -9.332 91 2HG2 VAL 14 2HG2 VAL 14 10.219 26.247 -9.187 92 3HG2 VAL 14 3HG2 VAL 14 9.699 24.624 -8.738 93 H ALA 15 H ALA 15 13.267 27.467 -5.865 94 HA ALA 15 HA ALA 15 13.889 27.912 -3.722 95 1HB ALA 15 1HB ALA 15 12.648 27.004 -2.037 96 2HB ALA 15 2HB ALA 15 12.758 25.367 -2.687 97 3HB ALA 15 3HB ALA 15 11.654 26.532 -3.416 98 H ASP 16 H ASP 16 16.071 27.498 -4.553 99 HA ASP 16 HA ASP 16 17.398 25.050 -4.323 100 1HB ASP 16 2HB ASP 16 19.487 26.500 -4.200 101 2HB ASP 16 1HB ASP 16 18.451 26.740 -5.604 102 H ASP 17 H ASP 17 16.634 27.475 -1.938 103 HA ASP 17 HA ASP 17 18.460 26.867 0.064 104 1HB ASP 17 2HB ASP 17 16.673 28.733 -0.051 105 2HB ASP 17 1HB ASP 17 15.597 27.546 0.680 106 H VAL 18 H VAL 18 15.226 25.485 -0.468 107 HA VAL 18 HA VAL 18 15.576 23.545 1.638 108 HB VAL 18 HB VAL 18 13.415 23.616 -0.468 109 1HG1 VAL 18 1HG1 VAL 18 13.730 21.523 0.887 110 2HG1 VAL 18 2HG1 VAL 18 12.140 22.273 1.016 111 3HG1 VAL 18 3HG1 VAL 18 13.317 22.473 2.313 112 1HG2 VAL 18 1HG2 VAL 18 13.593 25.763 0.760 113 2HG2 VAL 18 2HG2 VAL 18 13.361 24.880 2.269 114 3HG2 VAL 18 3HG2 VAL 18 12.078 24.912 1.059 115 H SER 19 H SER 19 15.896 23.660 -1.840 116 HA SER 19 HA SER 19 15.853 20.931 -2.414 117 1HB SER 19 2HB SER 19 16.657 21.490 -4.519 118 2HB SER 19 1HB SER 19 15.954 23.018 -3.991 119 HG SER 19 HG SER 19 18.600 22.328 -4.409 120 H ASN 20 H ASN 20 18.534 22.996 -1.366 121 HA ASN 20 HA ASN 20 20.513 20.976 -1.658 122 1HB ASN 20 2HB ASN 20 21.989 22.473 -0.455 123 2HB ASN 20 1HB ASN 20 21.038 23.397 -1.612 124 1HD2 ASN 20 1HD2 ASN 20 20.021 25.130 -0.903 125 2HD2 ASN 20 2HD2 ASN 20 19.737 25.525 0.755 126 H ILE 21 H ILE 21 18.589 22.101 1.098 127 HA ILE 21 HA ILE 21 19.814 20.664 3.142 128 HB ILE 21 HB ILE 21 16.883 21.363 2.804 129 1HG1 ILE 21 2HG1 ILE 21 19.114 22.756 4.294 130 2HG1 ILE 21 1HG1 ILE 21 18.374 23.299 2.792 131 1HG2 ILE 21 1HG2 ILE 21 16.702 21.129 5.247 132 2HG2 ILE 21 2HG2 ILE 21 18.350 20.509 5.299 133 3HG2 ILE 21 3HG2 ILE 21 17.094 19.600 4.460 134 1HD1 ILE 21 1HD1 ILE 21 17.246 23.280 5.553 135 2HD1 ILE 21 2HD1 ILE 21 16.185 23.305 4.144 136 3HD1 ILE 21 3HD1 ILE 21 17.349 24.605 4.393 137 H ILE 22 H ILE 22 16.990 19.664 1.188 138 HA ILE 22 HA ILE 22 16.718 17.139 2.336 139 HB ILE 22 HB ILE 22 14.978 18.163 0.955 140 1HG1 ILE 22 2HG1 ILE 22 14.329 16.121 -0.312 141 2HG1 ILE 22 1HG1 ILE 22 15.942 15.472 -0.032 142 1HG2 ILE 22 1HG2 ILE 22 15.097 18.221 -1.442 143 2HG2 ILE 22 2HG2 ILE 22 16.690 17.468 -1.422 144 3HG2 ILE 22 3HG2 ILE 22 16.475 19.093 -0.774 145 1HD1 ILE 22 1HD1 ILE 22 15.529 15.524 2.381 146 2HD1 ILE 22 2HD1 ILE 22 14.355 14.525 1.524 147 3HD1 ILE 22 3HD1 ILE 22 13.904 16.137 2.077 148 H LYS 23 H LYS 23 18.487 18.044 -0.645 149 HA LYS 23 HA LYS 23 19.354 15.432 -1.231 150 1HB LYS 23 2HB LYS 23 20.262 18.157 -2.043 151 2HB LYS 23 1HB LYS 23 21.237 16.754 -2.465 152 1HG LYS 23 2HG LYS 23 19.348 15.766 -3.619 153 2HG LYS 23 1HG LYS 23 18.337 17.136 -3.160 154 1HD LYS 23 2HD LYS 23 19.105 18.379 -4.844 155 2HD LYS 23 1HD LYS 23 20.782 18.014 -4.444 156 1HE LYS 23 2HE LYS 23 20.948 16.498 -6.067 157 2HE LYS 23 1HE LYS 23 19.414 15.746 -5.635 158 1HZ LYS 23 1HZ LYS 23 18.285 17.550 -6.850 159 2HZ LYS 23 2HZ LYS 23 19.280 16.614 -7.848 160 3HZ LYS 23 3HZ LYS 23 19.791 18.145 -7.344 161 H GLU 24 H GLU 24 21.098 18.096 0.363 162 HA GLU 24 HA GLU 24 23.454 16.744 0.936 163 1HB GLU 24 2HB GLU 24 22.045 19.084 2.040 164 2HB GLU 24 1HB GLU 24 23.105 18.300 3.189 165 1HG GLU 24 2HG GLU 24 24.221 20.112 1.999 166 2HG GLU 24 1HG GLU 24 24.981 18.554 1.683 167 H SER 25 H SER 25 20.340 16.624 2.532 168 HA SER 25 HA SER 25 21.215 15.105 4.779 169 1HB SER 25 2HB SER 25 18.545 15.805 3.598 170 2HB SER 25 1HB SER 25 18.645 14.552 4.835 171 HG SER 25 HG SER 25 19.002 17.287 5.042 172 H ILE 26 H ILE 26 19.598 14.222 1.693 173 HA ILE 26 HA ILE 26 19.450 11.457 2.207 174 HB ILE 26 HB ILE 26 19.399 13.107 -0.293 175 1HG1 ILE 26 2HG1 ILE 26 17.296 11.579 -0.511 176 2HG1 ILE 26 1HG1 ILE 26 17.593 11.256 1.195 177 1HG2 ILE 26 1HG2 ILE 26 20.564 11.450 -1.372 178 2HG2 ILE 26 2HG2 ILE 26 18.935 10.781 -1.467 179 3HG2 ILE 26 3HG2 ILE 26 20.057 10.200 -0.235 180 1HD1 ILE 26 1HD1 ILE 26 15.972 13.069 0.762 181 2HD1 ILE 26 2HD1 ILE 26 17.281 14.000 0.033 182 3HD1 ILE 26 3HD1 ILE 26 17.358 13.554 1.739 183 H ASP 27 H ASP 27 21.948 13.425 0.690 184 HA ASP 27 HA ASP 27 23.732 11.488 -0.110 185 1HB ASP 27 2HB ASP 27 24.091 13.817 -0.631 186 2HB ASP 27 1HB ASP 27 24.178 14.237 1.065 187 H ALA 28 H ALA 28 23.155 12.806 3.093 188 HA ALA 28 HA ALA 28 25.259 11.196 4.300 189 1HB ALA 28 1HB ALA 28 23.418 13.346 5.253 190 2HB ALA 28 2HB ALA 28 25.179 13.274 5.300 191 3HB ALA 28 3HB ALA 28 24.226 12.301 6.422 192 H VAL 29 H VAL 29 21.730 11.408 4.355 193 HA VAL 29 HA VAL 29 21.375 9.320 6.233 194 HB VAL 29 HB VAL 29 19.727 11.237 4.782 195 1HG1 VAL 29 1HG1 VAL 29 18.642 8.493 5.011 196 2HG1 VAL 29 2HG1 VAL 29 18.304 9.765 3.840 197 3HG1 VAL 29 3HG1 VAL 29 17.615 9.853 5.441 198 1HG2 VAL 29 1HG2 VAL 29 20.020 11.618 7.018 199 2HG2 VAL 29 2HG2 VAL 29 19.754 9.928 7.440 200 3HG2 VAL 29 3HG2 VAL 29 18.408 10.934 6.933 201 H LEU 30 H LEU 30 22.328 9.214 3.032 202 HA LEU 30 HA LEU 30 21.355 6.456 2.815 203 1HB LEU 30 2HB LEU 30 21.697 8.535 0.677 204 2HB LEU 30 1HB LEU 30 21.652 6.823 0.301 205 HG LEU 30 HG LEU 30 19.447 7.919 0.006 206 1HD1 LEU 30 1HD1 LEU 30 19.519 5.970 2.285 207 2HD1 LEU 30 2HD1 LEU 30 19.624 5.535 0.580 208 3HD1 LEU 30 3HD1 LEU 30 18.156 6.283 1.214 209 1HD2 LEU 30 1HD2 LEU 30 19.060 8.052 2.937 210 2HD2 LEU 30 2HD2 LEU 30 18.328 9.006 1.648 211 3HD2 LEU 30 3HD2 LEU 30 19.963 9.359 2.185 212 H GLN 31 H GLN 31 24.124 8.644 2.505 213 HA GLN 31 HA GLN 31 25.809 6.458 1.579 214 1HB GLN 31 2HB GLN 31 26.028 8.909 0.855 215 2HB GLN 31 1HB GLN 31 26.787 9.161 2.414 216 1HG GLN 31 2HG GLN 31 28.522 7.627 1.907 217 2HG GLN 31 1HG GLN 31 27.726 7.178 0.407 218 1HE2 GLN 31 1HE2 GLN 31 30.372 8.490 1.176 219 2HE2 GLN 31 2HE2 GLN 31 30.474 9.851 0.117 220 H ASN 32 H ASN 32 24.864 7.816 4.613 221 HA ASN 32 HA ASN 32 27.105 7.479 6.190 222 1HB ASN 32 2HB ASN 32 25.616 7.184 8.093 223 2HB ASN 32 1HB ASN 32 24.995 8.434 7.028 224 1HD2 ASN 32 1HD2 ASN 32 23.188 7.924 5.678 225 2HD2 ASN 32 2HD2 ASN 32 22.095 6.663 6.123 226 H GLN 33 H GLN 33 24.691 4.995 5.363 227 HA GLN 33 HA GLN 33 26.636 2.965 6.255 228 1HB GLN 33 2HB GLN 33 24.230 3.377 7.419 229 2HB GLN 33 1HB GLN 33 23.774 2.221 6.175 230 1HG GLN 33 2HG GLN 33 24.395 0.639 7.598 231 2HG GLN 33 1HG GLN 33 26.056 1.121 7.259 232 1HE2 GLN 33 1HE2 GLN 33 27.209 2.219 8.784 233 2HE2 GLN 33 2HE2 GLN 33 26.644 2.497 10.392 234 H GLN 34 H GLN 34 25.572 0.705 5.304 235 HA GLN 34 HA GLN 34 25.895 1.031 2.431 236 1HB GLN 34 2HB GLN 34 27.045 -0.740 3.992 237 2HB GLN 34 1HB GLN 34 25.541 -1.623 3.771 238 1HG GLN 34 2HG GLN 34 26.054 -2.218 1.684 239 2HG GLN 34 1HG GLN 34 26.691 -0.624 1.282 240 1HE2 GLN 34 1HE2 GLN 34 28.666 -0.879 0.528 241 2HE2 GLN 34 2HE2 GLN 34 29.906 -1.855 1.233 242 H TYR 35 H TYR 35 24.548 -0.590 1.081 243 HA TYR 35 HA TYR 35 21.859 0.211 1.175 244 1HB TYR 35 2HB TYR 35 22.801 -0.401 -0.921 245 2HB TYR 35 1HB TYR 35 23.318 -1.965 -0.313 246 HD1 TYR 35 1HD TYR 35 19.934 -0.662 0.341 247 HD2 TYR 35 2HD TYR 35 22.316 -3.183 -2.123 248 HE1 TYR 35 1HE TYR 35 17.897 -1.686 -0.579 249 HE2 TYR 35 2HE TYR 35 20.283 -4.212 -3.046 250 HH TYR 35 HH TYR 35 17.500 -3.051 -3.109 251 H SER 36 H SER 36 20.466 -0.348 2.814 252 HA SER 36 HA SER 36 20.399 -3.228 3.507 253 1HB SER 36 2HB SER 36 20.653 -0.869 5.282 254 2HB SER 36 1HB SER 36 19.535 -2.126 5.815 255 HG SER 36 HG SER 36 21.213 -3.225 6.396 256 H GLU 37 H GLU 37 18.479 -4.135 3.097 257 HA GLU 37 HA GLU 37 16.233 -2.738 2.160 258 1HB GLU 37 2HB GLU 37 16.620 -5.144 1.757 259 2HB GLU 37 1HB GLU 37 16.327 -5.476 3.458 260 1HG GLU 37 2HG GLU 37 14.217 -5.839 2.879 261 2HG GLU 37 1HG GLU 37 14.076 -4.091 2.700 262 H ALA 38 H ALA 38 17.217 -3.589 5.409 263 HA ALA 38 HA ALA 38 14.688 -2.901 6.607 264 1HB ALA 38 1HB ALA 38 16.112 -2.908 8.737 265 2HB ALA 38 2HB ALA 38 17.429 -3.470 7.706 266 3HB ALA 38 3HB ALA 38 15.958 -4.432 7.862 267 H LYS 39 H LYS 39 17.101 -1.104 5.193 268 HA LYS 39 HA LYS 39 16.509 1.266 6.802 269 1HB LYS 39 2HB LYS 39 18.981 0.119 5.753 270 2HB LYS 39 1HB LYS 39 18.790 1.809 5.345 271 1HG LYS 39 2HG LYS 39 20.034 1.575 7.378 272 2HG LYS 39 1HG LYS 39 18.483 2.339 7.714 273 1HD LYS 39 2HD LYS 39 18.630 0.789 9.411 274 2HD LYS 39 1HD LYS 39 17.709 -0.093 8.193 275 1HE LYS 39 2HE LYS 39 19.432 -1.509 7.715 276 2HE LYS 39 1HE LYS 39 20.665 -0.314 8.113 277 1HZ LYS 39 1HZ LYS 39 20.228 -0.659 10.447 278 2HZ LYS 39 2HZ LYS 39 20.587 -2.141 9.715 279 3HZ LYS 39 3HZ LYS 39 18.985 -1.753 10.095 280 H VAL 40 H VAL 40 16.180 -0.209 3.724 281 HA VAL 40 HA VAL 40 16.415 1.830 1.913 282 HB VAL 40 HB VAL 40 14.628 0.692 0.590 283 1HG1 VAL 40 1HG1 VAL 40 16.880 -0.894 1.749 284 2HG1 VAL 40 2HG1 VAL 40 16.819 -0.033 0.214 285 3HG1 VAL 40 3HG1 VAL 40 15.866 -1.500 0.442 286 1HG2 VAL 40 1HG2 VAL 40 14.280 -1.691 1.975 287 2HG2 VAL 40 2HG2 VAL 40 13.067 -0.444 1.686 288 3HG2 VAL 40 3HG2 VAL 40 14.011 -0.426 3.174 289 H SER 41 H SER 41 13.854 1.324 4.252 290 HA SER 41 HA SER 41 12.446 3.697 3.195 291 1HB SER 41 2HB SER 41 11.207 1.456 3.527 292 2HB SER 41 1HB SER 41 11.327 1.794 5.255 293 HG SER 41 HG SER 41 10.283 3.837 4.760 294 H GLN 42 H GLN 42 14.047 2.352 5.987 295 HA GLN 42 HA GLN 42 13.282 4.422 7.781 296 1HB GLN 42 2HB GLN 42 15.753 2.695 7.932 297 2HB GLN 42 1HB GLN 42 14.977 3.543 9.255 298 1HG GLN 42 2HG GLN 42 14.033 1.113 7.786 299 2HG GLN 42 1HG GLN 42 14.372 1.290 9.504 300 1HE2 GLN 42 1HE2 GLN 42 12.920 3.849 9.669 301 2HE2 GLN 42 2HE2 GLN 42 11.245 3.444 9.598 302 H TRP 43 H TRP 43 15.789 3.996 5.429 303 HA TRP 43 HA TRP 43 17.662 5.919 5.995 304 1HB TRP 43 2HB TRP 43 16.402 4.915 3.453 305 2HB TRP 43 1HB TRP 43 17.504 6.275 3.370 306 HD1 TRP 43 HD TRP 43 19.318 4.587 5.804 307 HE1 TRP 43 1HE TRP 43 20.992 2.930 4.865 308 HE3 TRP 43 3HE TRP 43 17.335 4.005 1.137 309 HZ2 TRP 43 2HZ TRP 43 21.439 1.527 2.483 310 HZ3 TRP 43 3HZ TRP 43 18.453 2.463 -0.420 311 HH2 TRP 43 HH TRP 43 20.465 1.249 0.238 312 H THR 44 H THR 44 14.910 6.388 3.834 313 HA THR 44 HA THR 44 15.037 9.147 3.682 314 HB THR 44 HB THR 44 13.800 7.540 2.195 315 HG1 THR 44 1HG THR 44 13.530 9.706 1.851 316 1HG2 THR 44 1HG2 THR 44 12.409 6.298 3.572 317 2HG2 THR 44 2HG2 THR 44 11.347 7.390 2.688 318 3HG2 THR 44 3HG2 THR 44 11.761 7.732 4.366 319 H SER 45 H SER 45 13.760 7.189 6.206 320 HA SER 45 HA SER 45 11.969 9.145 7.283 321 1HB SER 45 2HB SER 45 11.562 7.644 9.012 322 2HB SER 45 1HB SER 45 12.071 6.559 7.724 323 HG SER 45 HG SER 45 13.125 6.118 9.716 324 H SER 46 H SER 46 15.283 8.152 7.871 325 HA SER 46 HA SER 46 15.804 9.992 9.971 326 1HB SER 46 2HB SER 46 17.195 7.920 8.670 327 2HB SER 46 1HB SER 46 18.140 9.370 8.378 328 HG SER 46 HG SER 46 17.232 8.544 10.932 329 H CYS 47 H CYS 47 15.914 10.071 6.486 330 HA CYS 47 HA CYS 47 17.261 12.498 6.069 331 1HB CYS 47 2HB CYS 47 16.940 11.282 4.105 332 2HB CYS 47 1HB CYS 47 15.335 10.799 4.559 333 HG CYS 47 HG CYS 47 15.692 13.717 3.625 334 H LEU 48 H LEU 48 13.863 11.683 6.443 335 HA LEU 48 HA LEU 48 12.817 14.245 6.190 336 1HB LEU 48 2HB LEU 48 11.902 11.629 7.171 337 2HB LEU 48 1HB LEU 48 11.045 13.005 7.833 338 HG LEU 48 HG LEU 48 10.164 13.621 5.793 339 1HD1 LEU 48 1HD1 LEU 48 12.443 12.129 4.534 340 2HD1 LEU 48 2HD1 LEU 48 12.062 13.843 4.423 341 3HD1 LEU 48 3HD1 LEU 48 11.041 12.664 3.607 342 1HD2 LEU 48 1HD2 LEU 48 10.422 10.622 5.767 343 2HD2 LEU 48 2HD2 LEU 48 9.354 11.519 4.688 344 3HD2 LEU 48 3HD2 LEU 48 9.104 11.585 6.432 345 H GLU 49 H GLU 49 14.161 12.561 8.971 346 HA GLU 49 HA GLU 49 13.396 14.697 10.738 347 1HB GLU 49 2HB GLU 49 13.803 12.285 11.475 348 2HB GLU 49 1HB GLU 49 15.520 12.685 11.387 349 1HG GLU 49 2HG GLU 49 14.861 14.728 12.810 350 2HG GLU 49 1HG GLU 49 13.418 13.807 13.188 351 H HIS 50 H HIS 50 16.148 13.788 8.803 352 HA HIS 50 HA HIS 50 17.821 15.902 9.863 353 1HB HIS 50 2HB HIS 50 18.180 13.870 7.661 354 2HB HIS 50 1HB HIS 50 19.352 15.149 7.957 355 HD1 HIS 50 1HD HIS 50 20.203 15.158 10.621 356 HD2 HIS 50 2HD HIS 50 18.746 11.611 9.021 357 HE1 HIS 50 1HE HIS 50 21.079 13.336 12.116 358 HE2 HIS 50 2HE HIS 50 20.251 11.194 11.083 359 H CYS 51 H CYS 51 15.194 15.963 7.930 360 HA CYS 51 HA CYS 51 16.215 18.070 6.154 361 1HB CYS 51 2HB CYS 51 14.962 15.988 5.188 362 2HB CYS 51 1HB CYS 51 13.519 16.704 5.894 363 HG CYS 51 HG CYS 51 13.389 18.262 4.012 364 H ILE 52 H ILE 52 13.672 17.071 8.339 365 HA ILE 52 HA ILE 52 12.313 19.534 8.504 366 HB ILE 52 HB ILE 52 11.397 17.283 9.088 367 1HG1 ILE 52 2HG1 ILE 52 10.248 19.301 9.808 368 2HG1 ILE 52 1HG1 ILE 52 10.040 17.973 10.942 369 1HG2 ILE 52 1HG2 ILE 52 12.729 17.541 11.732 370 2HG2 ILE 52 2HG2 ILE 52 13.447 16.627 10.408 371 3HG2 ILE 52 3HG2 ILE 52 11.879 16.158 11.054 372 1HD1 ILE 52 1HD1 ILE 52 12.157 19.167 12.020 373 2HD1 ILE 52 2HD1 ILE 52 10.488 19.561 12.433 374 3HD1 ILE 52 3HD1 ILE 52 11.369 20.555 11.272 375 H LYS 53 H LYS 53 14.802 17.978 10.546 376 HA LYS 53 HA LYS 53 14.958 19.953 12.521 377 1HB LYS 53 2HB LYS 53 16.732 17.768 11.569 378 2HB LYS 53 1HB LYS 53 17.495 19.038 12.506 379 1HG LYS 53 2HG LYS 53 16.780 17.065 13.833 380 2HG LYS 53 1HG LYS 53 16.108 18.590 14.388 381 1HD LYS 53 2HD LYS 53 14.455 17.187 12.433 382 2HD LYS 53 1HD LYS 53 14.678 16.322 13.950 383 1HE LYS 53 2HE LYS 53 13.992 19.212 14.075 384 2HE LYS 53 1HE LYS 53 12.721 18.079 13.627 385 1HZ LYS 53 1HZ LYS 53 14.370 17.522 15.992 386 2HZ LYS 53 2HZ LYS 53 12.772 17.073 15.669 387 3HZ LYS 53 3HZ LYS 53 13.130 18.667 16.105 388 H ARG 54 H ARG 54 16.452 19.705 9.360 389 HA ARG 54 HA ARG 54 18.274 21.857 9.699 390 1HB ARG 54 2HB ARG 54 17.548 20.000 7.627 391 2HB ARG 54 1HB ARG 54 17.613 21.623 6.953 392 1HG ARG 54 2HG ARG 54 19.807 20.196 8.431 393 2HG ARG 54 1HG ARG 54 19.752 20.568 6.709 394 1HD ARG 54 2HD ARG 54 20.682 22.540 7.097 395 2HD ARG 54 1HD ARG 54 19.351 22.984 8.154 396 HE ARG 54 HE ARG 54 20.688 22.564 9.965 397 1HH1 ARG 54 1HH1 ARG 54 22.189 21.184 7.121 398 2HH1 ARG 54 2HH1 ARG 54 23.667 20.805 7.939 399 1HH2 ARG 54 1HH2 ARG 54 22.635 22.064 11.030 400 2HH2 ARG 54 2HH2 ARG 54 23.921 21.303 10.153 401 H LEU 55 H LEU 55 15.078 21.568 8.220 402 HA LEU 55 HA LEU 55 14.813 24.212 7.357 403 1HB LEU 55 2HB LEU 55 12.783 22.146 8.173 404 2HB LEU 55 1HB LEU 55 12.331 23.709 7.510 405 HG LEU 55 HG LEU 55 14.012 21.628 6.114 406 1HD1 LEU 55 1HD1 LEU 55 11.628 21.037 6.314 407 2HD1 LEU 55 2HD1 LEU 55 12.134 21.325 4.650 408 3HD1 LEU 55 3HD1 LEU 55 11.214 22.555 5.516 409 1HD2 LEU 55 1HD2 LEU 55 13.676 23.150 4.158 410 2HD2 LEU 55 2HD2 LEU 55 14.737 23.771 5.422 411 3HD2 LEU 55 3HD2 LEU 55 13.081 24.361 5.294 412 H THR 56 H THR 56 14.443 22.786 10.505 413 HA THR 56 HA THR 56 13.086 25.037 11.665 414 HB THR 56 HB THR 56 13.231 23.879 13.725 415 HG1 THR 56 1HG THR 56 15.025 22.961 14.243 416 1HG2 THR 56 1HG2 THR 56 11.895 22.232 13.111 417 2HG2 THR 56 2HG2 THR 56 13.264 21.324 12.472 418 3HG2 THR 56 3HG2 THR 56 12.402 22.462 11.438 419 H ALA 57 H ALA 57 16.383 23.923 11.304 420 HA ALA 57 HA ALA 57 17.593 25.783 13.075 421 1HB ALA 57 1HB ALA 57 18.563 23.619 12.000 422 2HB ALA 57 2HB ALA 57 19.629 24.994 12.291 423 3HB ALA 57 3HB ALA 57 19.003 24.690 10.670 424 H LEU 58 H LEU 58 16.667 25.827 9.700 425 HA LEU 58 HA LEU 58 17.894 28.397 9.200 426 1HB LEU 58 2HB LEU 58 16.629 26.256 7.645 427 2HB LEU 58 1HB LEU 58 16.265 27.863 7.058 428 HG LEU 58 HG LEU 58 19.115 27.365 7.621 429 1HD1 LEU 58 1HD1 LEU 58 18.277 26.272 5.026 430 2HD1 LEU 58 2HD1 LEU 58 17.874 25.279 6.427 431 3HD1 LEU 58 3HD1 LEU 58 19.548 25.744 6.128 432 1HD2 LEU 58 1HD2 LEU 58 18.804 29.383 6.600 433 2HD2 LEU 58 2HD2 LEU 58 17.433 28.817 5.646 434 3HD2 LEU 58 3HD2 LEU 58 19.074 28.366 5.185 435 H ASN 59 H ASN 59 14.778 27.103 10.062 436 HA ASN 59 HA ASN 59 12.712 28.012 10.346 437 1HB ASN 59 2HB ASN 59 12.663 29.973 11.768 438 2HB ASN 59 1HB ASN 59 13.976 28.914 12.270 439 1HD2 ASN 59 1HD2 ASN 59 16.117 29.525 11.824 440 2HD2 ASN 59 2HD2 ASN 59 16.533 31.172 11.505 441 H LYS 60 H LYS 60 12.997 28.120 7.784 442 HA LYS 60 HA LYS 60 11.429 30.261 6.918 443 1HB LYS 60 2HB LYS 60 13.902 31.229 7.286 444 2HB LYS 60 1HB LYS 60 14.096 30.607 5.653 445 1HG LYS 60 2HG LYS 60 12.033 31.926 5.039 446 2HG LYS 60 1HG LYS 60 12.171 32.701 6.619 447 1HD LYS 60 2HD LYS 60 14.698 32.988 5.718 448 2HD LYS 60 1HD LYS 60 13.814 33.027 4.191 449 1HE LYS 60 2HE LYS 60 12.768 34.986 4.689 450 2HE LYS 60 1HE LYS 60 12.747 34.661 6.421 451 1HZ LYS 60 1HZ LYS 60 14.260 36.393 6.159 452 2HZ LYS 60 2HZ LYS 60 14.965 35.715 4.779 453 3HZ LYS 60 3HZ LYS 60 15.246 35.024 6.298 454 HA PRO 61 HA PRO 61 9.797 30.271 5.581 455 1HB PRO 61 2HB PRO 61 8.143 27.905 5.043 456 2HB PRO 61 1HB PRO 61 8.018 29.533 4.378 457 1HG PRO 61 2HG PRO 61 8.867 27.470 2.888 458 2HG PRO 61 1HG PRO 61 9.532 29.103 2.687 459 1HD PRO 61 2HD PRO 61 10.695 26.745 4.128 460 2HD PRO 61 1HD PRO 61 11.495 27.922 3.063 461 H PHE 62 H PHE 62 7.575 29.159 6.814 462 HA PHE 62 HA PHE 62 8.761 28.212 9.322 463 1HB PHE 62 2HB PHE 62 7.001 30.251 8.873 464 2HB PHE 62 1HB PHE 62 5.905 28.944 9.309 465 HD1 PHE 62 1HD PHE 62 8.868 30.843 10.457 466 HD2 PHE 62 2HD PHE 62 5.638 28.293 11.541 467 HE1 PHE 62 1HE PHE 62 9.363 31.234 12.836 468 HE2 PHE 62 2HE PHE 62 6.127 28.679 13.921 469 HZ PHE 62 HZ PHE 62 7.991 30.151 14.572 470 H LYS 63 H LYS 63 5.687 27.688 7.580 471 HA LYS 63 HA LYS 63 5.462 25.036 8.726 472 1HB LYS 63 2HB LYS 63 3.517 26.637 8.398 473 2HB LYS 63 1HB LYS 63 3.643 26.300 6.677 474 1HG LYS 63 2HG LYS 63 2.892 24.139 6.904 475 2HG LYS 63 1HG LYS 63 3.382 24.034 8.596 476 1HD LYS 63 2HD LYS 63 1.032 24.161 8.638 477 2HD LYS 63 1HD LYS 63 1.593 25.780 9.063 478 1HE LYS 63 2HE LYS 63 1.372 26.284 6.550 479 2HE LYS 63 1HE LYS 63 0.401 24.813 6.486 480 1HZ LYS 63 1HZ LYS 63 -0.194 27.379 7.765 481 2HZ LYS 63 2HZ LYS 63 -0.813 25.976 8.476 482 3HZ LYS 63 3HZ LYS 63 -1.207 26.356 6.876 483 H TYR 64 H TYR 64 6.783 23.546 7.839 484 HA TYR 64 HA TYR 64 6.640 23.235 4.919 485 1HB TYR 64 2HB TYR 64 9.094 22.328 5.222 486 2HB TYR 64 1HB TYR 64 8.789 24.049 5.028 487 HD1 TYR 64 1HD TYR 64 9.226 25.591 6.807 488 HD2 TYR 64 2HD TYR 64 9.665 21.408 7.443 489 HE1 TYR 64 1HE TYR 64 10.391 26.042 8.924 490 HE2 TYR 64 2HE TYR 64 10.831 21.848 9.562 491 HH TYR 64 HH TYR 64 10.819 24.842 11.078 492 H VAL 65 H VAL 65 6.539 21.182 4.130 493 HA VAL 65 HA VAL 65 6.288 19.043 6.130 494 HB VAL 65 HB VAL 65 5.244 18.339 3.500 495 1HG1 VAL 65 1HG1 VAL 65 4.268 18.220 6.321 496 2HG1 VAL 65 2HG1 VAL 65 4.754 16.902 5.256 497 3HG1 VAL 65 3HG1 VAL 65 3.243 17.761 4.962 498 1HG2 VAL 65 1HG2 VAL 65 3.385 19.681 3.300 499 2HG2 VAL 65 2HG2 VAL 65 4.677 20.820 3.662 500 3HG2 VAL 65 3HG2 VAL 65 3.555 20.331 4.928 501 H VAL 66 H VAL 66 7.233 17.009 5.669 502 HA VAL 66 HA VAL 66 9.105 17.000 3.404 503 HB VAL 66 HB VAL 66 9.957 15.814 6.022 504 1HG1 VAL 66 1HG1 VAL 66 11.753 17.098 4.031 505 2HG1 VAL 66 2HG1 VAL 66 11.030 15.539 3.638 506 3HG1 VAL 66 3HG1 VAL 66 12.034 15.707 5.076 507 1HG2 VAL 66 1HG2 VAL 66 9.564 18.027 6.732 508 2HG2 VAL 66 2HG2 VAL 66 10.149 18.706 5.213 509 3HG2 VAL 66 3HG2 VAL 66 11.284 17.970 6.345 510 H THR 67 H THR 67 8.246 15.435 2.144 511 HA THR 67 HA THR 67 7.891 12.795 3.419 512 HB THR 67 HB THR 67 5.668 13.548 3.003 513 HG1 THR 67 1HG THR 67 5.055 11.807 1.972 514 1HG2 THR 67 1HG2 THR 67 5.779 13.777 0.123 515 2HG2 THR 67 2HG2 THR 67 6.712 15.030 0.944 516 3HG2 THR 67 3HG2 THR 67 5.001 14.818 1.315 517 H CYS 68 H CYS 68 8.118 10.958 2.020 518 HA CYS 68 HA CYS 68 9.406 11.352 -0.544 519 1HB CYS 68 2HB CYS 68 11.335 11.510 0.912 520 2HB CYS 68 1HB CYS 68 10.844 10.071 1.788 521 HG CYS 68 HG CYS 68 11.492 8.646 -0.302 522 H ILE 69 H ILE 69 9.611 9.402 -1.748 523 HA ILE 69 HA ILE 69 8.094 7.113 -0.716 524 HB ILE 69 HB ILE 69 7.757 8.483 -3.379 525 1HG1 ILE 69 2HG1 ILE 69 5.318 8.380 -2.630 526 2HG1 ILE 69 1HG1 ILE 69 5.949 7.958 -1.041 527 1HG2 ILE 69 1HG2 ILE 69 6.045 6.642 -3.810 528 2HG2 ILE 69 2HG2 ILE 69 6.885 5.738 -2.551 529 3HG2 ILE 69 3HG2 ILE 69 7.748 6.228 -4.009 530 1HD1 ILE 69 1HD1 ILE 69 5.515 10.498 -2.037 531 2HD1 ILE 69 2HD1 ILE 69 7.264 10.289 -2.123 532 3HD1 ILE 69 3HD1 ILE 69 6.424 10.073 -0.586 533 H ILE 70 H ILE 70 9.314 5.340 -0.800 534 HA ILE 70 HA ILE 70 11.807 5.332 -2.226 535 HB ILE 70 HB ILE 70 12.120 3.086 -1.265 536 1HG1 ILE 70 2HG1 ILE 70 9.855 3.158 0.552 537 2HG1 ILE 70 1HG1 ILE 70 9.322 3.070 -1.124 538 1HG2 ILE 70 1HG2 ILE 70 11.437 5.451 0.399 539 2HG2 ILE 70 2HG2 ILE 70 12.986 4.643 0.160 540 3HG2 ILE 70 3HG2 ILE 70 11.769 3.921 1.212 541 1HD1 ILE 70 1HD1 ILE 70 11.365 1.213 -0.968 542 2HD1 ILE 70 2HD1 ILE 70 9.632 0.885 -0.981 543 3HD1 ILE 70 3HD1 ILE 70 10.490 1.035 0.553 544 H MET 71 H MET 71 12.451 4.015 -3.886 545 HA MET 71 HA MET 71 10.326 2.567 -5.322 546 1HB MET 71 2HB MET 71 12.027 4.741 -6.218 547 2HB MET 71 1HB MET 71 12.235 3.320 -7.231 548 1HG MET 71 2HG MET 71 9.657 3.284 -7.311 549 2HG MET 71 1HG MET 71 9.779 4.952 -6.753 550 1HE MET 71 1HE MET 71 10.928 3.281 -10.855 551 2HE MET 71 2HE MET 71 10.101 2.444 -9.541 552 3HE MET 71 3HE MET 71 11.839 2.733 -9.447 553 H GLN 72 H GLN 72 10.898 0.569 -4.497 554 HA GLN 72 HA GLN 72 13.447 -0.470 -4.177 555 1HB GLN 72 2HB GLN 72 10.948 -1.385 -3.691 556 2HB GLN 72 1HB GLN 72 11.377 -2.381 -5.075 557 1HG GLN 72 2HG GLN 72 13.154 -3.385 -3.954 558 2HG GLN 72 1HG GLN 72 13.213 -2.123 -2.725 559 1HE2 GLN 72 1HE2 GLN 72 12.547 -2.804 -0.831 560 2HE2 GLN 72 2HE2 GLN 72 11.290 -3.952 -0.536 561 H LYS 73 H LYS 73 14.691 -1.948 -5.404 562 HA LYS 73 HA LYS 73 15.074 -1.242 -8.083 563 1HB LYS 73 2HB LYS 73 16.780 -2.277 -6.579 564 2HB LYS 73 1HB LYS 73 15.939 -3.812 -6.749 565 1HG LYS 73 2HG LYS 73 16.635 -2.520 -9.287 566 2HG LYS 73 1HG LYS 73 18.015 -2.989 -8.293 567 1HD LYS 73 2HD LYS 73 17.778 -5.046 -9.124 568 2HD LYS 73 1HD LYS 73 16.308 -5.177 -8.159 569 1HE LYS 73 2HE LYS 73 15.220 -3.956 -10.206 570 2HE LYS 73 1HE LYS 73 16.630 -4.574 -11.066 571 1HZ LYS 73 1HZ LYS 73 15.940 -6.799 -9.978 572 2HZ LYS 73 2HZ LYS 73 15.107 -6.254 -11.344 573 3HZ LYS 73 3HZ LYS 73 14.427 -6.062 -9.807 574 H ASN 74 H ASN 74 13.057 -1.409 -9.131 575 HA ASN 74 HA ASN 74 12.636 -3.858 -10.480 576 1HB ASN 74 2HB ASN 74 10.400 -4.414 -9.658 577 2HB ASN 74 1HB ASN 74 11.578 -4.494 -8.352 578 1HD2 ASN 74 1HD2 ASN 74 8.693 -3.107 -9.463 579 2HD2 ASN 74 2HD2 ASN 74 8.423 -2.024 -8.145 580 H GLY 75 H GLY 75 12.242 -3.103 -12.442 581 1HA GLY 75 2HA GLY 75 11.272 -0.510 -12.985 582 2HA GLY 75 1HA GLY 75 11.429 -1.811 -14.156 583 H ALA 76 H ALA 76 9.304 -0.109 -12.023 584 HA ALA 76 HA ALA 76 7.018 -1.408 -13.324 585 1HB ALA 76 1HB ALA 76 5.958 -2.005 -11.398 586 2HB ALA 76 2HB ALA 76 6.724 -0.731 -10.449 587 3HB ALA 76 3HB ALA 76 7.628 -2.187 -10.866 588 H GLY 77 H GLY 77 5.317 -0.064 -13.783 589 1HA GLY 77 2HA GLY 77 5.824 2.713 -13.912 590 2HA GLY 77 1HA GLY 77 4.281 1.937 -14.236 591 H LEU 78 H LEU 78 5.994 3.945 -12.151 592 HA LEU 78 HA LEU 78 3.947 3.657 -10.052 593 1HB LEU 78 2HB LEU 78 6.184 3.202 -9.229 594 2HB LEU 78 1HB LEU 78 6.766 4.721 -9.881 595 HG LEU 78 HG LEU 78 5.030 5.813 -8.296 596 1HD1 LEU 78 1HD1 LEU 78 5.442 3.346 -6.667 597 2HD1 LEU 78 2HD1 LEU 78 4.102 3.429 -7.811 598 3HD1 LEU 78 3HD1 LEU 78 4.222 4.609 -6.505 599 1HD2 LEU 78 1HD2 LEU 78 7.166 6.333 -7.715 600 2HD2 LEU 78 2HD2 LEU 78 7.686 4.648 -7.679 601 3HD2 LEU 78 3HD2 LEU 78 6.751 5.311 -6.339 602 H HIS 79 H HIS 79 2.390 5.096 -10.516 603 HA HIS 79 HA HIS 79 3.218 7.878 -11.039 604 1HB HIS 79 2HB HIS 79 1.074 6.206 -12.272 605 2HB HIS 79 1HB HIS 79 0.779 7.930 -12.075 606 HD1 HIS 79 1HD HIS 79 3.073 5.527 -13.849 607 HD2 HIS 79 2HD HIS 79 2.099 9.566 -13.866 608 HE1 HIS 79 1HE HIS 79 4.206 6.483 -15.880 609 HE2 HIS 79 2HE HIS 79 3.541 8.913 -15.911 610 H THR 80 H THR 80 2.308 9.472 -9.851 611 HA THR 80 HA THR 80 0.468 8.636 -7.710 612 HB THR 80 HB THR 80 2.293 11.043 -7.707 613 HG1 THR 80 1HG THR 80 3.835 9.805 -7.027 614 1HG2 THR 80 1HG2 THR 80 1.062 11.584 -5.933 615 2HG2 THR 80 2HG2 THR 80 1.931 10.284 -5.120 616 3HG2 THR 80 3HG2 THR 80 0.342 9.979 -5.822 617 H ALA 81 H ALA 81 -1.214 10.098 -7.073 618 HA ALA 81 HA ALA 81 -1.888 12.129 -9.109 619 1HB ALA 81 1HB ALA 81 -3.995 10.417 -7.823 620 2HB ALA 81 2HB ALA 81 -3.193 9.933 -9.318 621 3HB ALA 81 3HB ALA 81 -4.120 11.432 -9.260 622 H ALA 82 H ALA 82 -2.764 14.028 -8.310 623 HA ALA 82 HA ALA 82 -3.699 14.147 -5.598 624 1HB ALA 82 1HB ALA 82 -2.032 15.420 -4.617 625 2HB ALA 82 2HB ALA 82 -1.285 15.803 -6.168 626 3HB ALA 82 3HB ALA 82 -1.161 14.172 -5.508 627 H SER 83 H SER 83 -5.330 15.420 -5.581 628 HA SER 83 HA SER 83 -5.290 17.881 -7.195 629 1HB SER 83 2HB SER 83 -6.937 16.026 -7.920 630 2HB SER 83 1HB SER 83 -7.812 16.400 -6.436 631 HG SER 83 HG SER 83 -8.671 17.980 -7.504 632 H CYS 84 H CYS 84 -5.141 19.580 -5.866 633 HA CYS 84 HA CYS 84 -6.159 19.294 -3.129 634 1HB CYS 84 2HB CYS 84 -4.264 21.405 -4.074 635 2HB CYS 84 1HB CYS 84 -4.572 20.889 -2.425 636 HG CYS 84 HG CYS 84 -2.276 19.946 -3.578 637 H TRP 85 H TRP 85 -7.189 21.042 -2.098 638 HA TRP 85 HA TRP 85 -9.087 22.385 -3.784 639 1HB TRP 85 2HB TRP 85 -9.110 21.518 -1.191 640 2HB TRP 85 1HB TRP 85 -8.856 23.245 -0.968 641 HD1 TRP 85 HD TRP 85 -11.236 21.136 -3.204 642 HE1 TRP 85 1HE TRP 85 -13.588 22.151 -3.020 643 HE3 TRP 85 3HE TRP 85 -10.212 24.981 0.005 644 HZ2 TRP 85 2HZ TRP 85 -14.850 24.306 -1.698 645 HZ3 TRP 85 3HZ TRP 85 -12.048 26.475 0.678 646 HH2 TRP 85 HH TRP 85 -14.318 26.143 -0.157 647 H TRP 86 H TRP 86 -9.269 24.878 -2.269 648 HA TRP 86 HA TRP 86 -7.173 26.319 -3.664 649 1HB TRP 86 2HB TRP 86 -9.730 27.060 -2.310 650 2HB TRP 86 1HB TRP 86 -8.498 28.302 -2.509 651 HD1 TRP 86 HD TRP 86 -8.837 25.724 -5.275 652 HE1 TRP 86 1HE TRP 86 -9.838 26.854 -7.359 653 HE3 TRP 86 3HE TRP 86 -10.114 30.230 -3.223 654 HZ2 TRP 86 2HZ TRP 86 -11.014 29.328 -8.043 655 HZ3 TRP 86 3HZ TRP 86 -11.173 31.922 -4.660 656 HH2 TRP 86 HH TRP 86 -11.613 31.479 -7.019 657 H ASP 87 H ASP 87 -5.486 27.362 -2.751 658 HA ASP 87 HA ASP 87 -5.241 28.237 -0.122 659 1HB ASP 87 2HB ASP 87 -5.230 25.536 -0.025 660 2HB ASP 87 1HB ASP 87 -3.516 25.831 -0.292 661 H SER 88 H SER 88 -4.093 29.939 -0.872 662 HA SER 88 HA SER 88 -1.893 29.587 -2.705 663 1HB SER 88 2HB SER 88 -3.143 31.569 -3.046 664 2HB SER 88 1HB SER 88 -3.096 31.988 -1.334 665 HG SER 88 HG SER 88 -1.499 32.888 -3.126 666 H THR 89 H THR 89 -2.312 29.872 0.729 667 HA THR 89 HA THR 89 0.296 30.751 1.385 668 HB THR 89 HB THR 89 -1.552 30.939 2.962 669 HG1 THR 89 1HG THR 89 -0.133 30.776 4.475 670 1HG2 THR 89 1HG2 THR 89 -2.708 28.822 2.383 671 2HG2 THR 89 2HG2 THR 89 -2.505 29.084 4.115 672 3HG2 THR 89 3HG2 THR 89 -1.453 27.951 3.265 673 H THR 90 H THR 90 -1.155 27.506 1.229 674 HA THR 90 HA THR 90 1.294 26.209 1.947 675 HB THR 90 HB THR 90 0.010 24.126 1.290 676 HG1 THR 90 1HG THR 90 -1.485 24.782 -0.127 677 1HG2 THR 90 1HG2 THR 90 -0.916 26.031 3.370 678 2HG2 THR 90 2HG2 THR 90 -0.187 24.433 3.539 679 3HG2 THR 90 3HG2 THR 90 -1.874 24.585 3.049 680 H ASP 91 H ASP 91 2.351 27.561 0.126 681 HA ASP 91 HA ASP 91 2.297 25.997 -2.366 682 1HB ASP 91 2HB ASP 91 1.582 28.359 -2.626 683 2HB ASP 91 1HB ASP 91 3.150 28.877 -2.016 684 H GLY 92 H GLY 92 3.881 24.532 -2.100 685 1HA GLY 92 2HA GLY 92 6.603 25.480 -2.124 686 2HA GLY 92 1HA GLY 92 6.178 24.644 -0.646 687 H SER 93 H SER 93 4.387 22.760 -2.072 688 HA SER 93 HA SER 93 5.633 20.485 -2.246 689 1HB SER 93 2HB SER 93 4.057 19.677 -3.835 690 2HB SER 93 1HB SER 93 3.250 20.955 -2.925 691 HG SER 93 HG SER 93 3.744 22.372 -4.672 692 H ARG 94 H ARG 94 7.779 20.412 -2.764 693 HA ARG 94 HA ARG 94 8.396 20.542 -5.641 694 1HB ARG 94 2HB ARG 94 9.808 21.827 -3.357 695 2HB ARG 94 1HB ARG 94 10.803 21.135 -4.631 696 1HG ARG 94 2HG ARG 94 10.342 22.792 -6.047 697 2HG ARG 94 1HG ARG 94 8.621 22.764 -5.660 698 1HD ARG 94 2HD ARG 94 9.691 23.818 -3.382 699 2HD ARG 94 1HD ARG 94 10.767 24.470 -4.617 700 HE ARG 94 HE ARG 94 8.279 24.938 -5.606 701 1HH1 ARG 94 1HH1 ARG 94 9.865 25.714 -2.586 702 2HH1 ARG 94 2HH1 ARG 94 8.947 27.162 -2.338 703 1HH2 ARG 94 1HH2 ARG 94 7.078 26.840 -5.273 704 2HH2 ARG 94 2HH2 ARG 94 7.368 27.799 -3.860 705 H THR 95 H THR 95 8.656 18.453 -6.204 706 HA THR 95 HA THR 95 9.827 16.620 -4.285 707 HB THR 95 HB THR 95 7.689 16.189 -5.684 708 HG1 THR 95 1HG THR 95 9.764 14.350 -5.198 709 1HG2 THR 95 1HG2 THR 95 9.756 15.200 -7.628 710 2HG2 THR 95 2HG2 THR 95 8.652 16.548 -7.902 711 3HG2 THR 95 3HG2 THR 95 8.018 14.915 -7.703 712 H VAL 96 H VAL 96 11.556 15.247 -4.694 713 HA VAL 96 HA VAL 96 13.243 15.886 -7.007 714 HB VAL 96 HB VAL 96 14.097 15.989 -4.112 715 1HG1 VAL 96 1HG1 VAL 96 16.421 16.105 -4.794 716 2HG1 VAL 96 2HG1 VAL 96 15.965 15.905 -6.486 717 3HG1 VAL 96 3HG1 VAL 96 15.728 14.581 -5.347 718 1HG2 VAL 96 1HG2 VAL 96 13.262 17.985 -5.602 719 2HG2 VAL 96 2HG2 VAL 96 14.935 17.950 -6.160 720 3HG2 VAL 96 3HG2 VAL 96 14.580 18.174 -4.447 721 H ARG 97 H ARG 97 14.074 14.098 -7.936 722 HA ARG 97 HA ARG 97 13.600 11.543 -6.577 723 1HB ARG 97 2HB ARG 97 12.570 11.822 -8.788 724 2HB ARG 97 1HB ARG 97 14.152 12.124 -9.491 725 1HG ARG 97 2HG ARG 97 14.206 9.949 -9.944 726 2HG ARG 97 1HG ARG 97 14.503 9.714 -8.221 727 1HD ARG 97 2HD ARG 97 12.685 8.289 -8.957 728 2HD ARG 97 1HD ARG 97 12.081 9.517 -7.848 729 HE ARG 97 HE ARG 97 11.737 10.568 -10.363 730 1HH1 ARG 97 1HH1 ARG 97 10.641 7.705 -8.676 731 2HH1 ARG 97 2HH1 ARG 97 9.164 7.597 -9.573 732 1HH2 ARG 97 1HH2 ARG 97 9.795 10.418 -11.534 733 2HH2 ARG 97 2HH2 ARG 97 8.684 9.134 -11.193 734 H TRP 98 H TRP 98 15.255 10.589 -5.632 735 HA TRP 98 HA TRP 98 17.985 11.274 -6.454 736 1HB TRP 98 2HB TRP 98 16.796 10.028 -3.986 737 2HB TRP 98 1HB TRP 98 18.500 9.823 -4.348 738 HD1 TRP 98 HD TRP 98 20.099 11.732 -3.649 739 HE1 TRP 98 1HE TRP 98 19.783 14.039 -2.546 740 HE3 TRP 98 3HE TRP 98 15.017 12.057 -3.986 741 HZ2 TRP 98 2HZ TRP 98 17.601 15.777 -1.928 742 HZ3 TRP 98 3HZ TRP 98 13.901 14.068 -3.116 743 HH2 TRP 98 HH TRP 98 15.170 15.882 -2.111 744 H GLU 99 H GLU 99 19.502 9.689 -7.014 745 HA GLU 99 HA GLU 99 18.588 6.939 -7.297 746 1HB GLU 99 2HB GLU 99 19.058 8.811 -9.544 747 2HB GLU 99 1HB GLU 99 19.716 7.191 -9.728 748 1HG GLU 99 2HG GLU 99 17.728 6.448 -10.328 749 2HG GLU 99 1HG GLU 99 17.072 6.926 -8.764 750 H ASN 100 H ASN 100 20.200 5.459 -7.132 751 HA ASN 100 HA ASN 100 22.927 6.522 -6.815 752 1HB ASN 100 2HB ASN 100 23.240 4.314 -5.478 753 2HB ASN 100 1HB ASN 100 22.397 5.658 -4.719 754 1HD2 ASN 100 1HD2 ASN 100 20.168 5.538 -4.420 755 2HD2 ASN 100 2HD2 ASN 100 19.318 4.035 -4.490 756 H LYS 101 H LYS 101 21.302 3.452 -7.673 757 HA LYS 101 HA LYS 101 22.842 3.267 -10.086 758 1HB LYS 101 2HB LYS 101 23.725 0.947 -9.421 759 2HB LYS 101 1HB LYS 101 24.568 2.364 -8.815 760 1HG LYS 101 2HG LYS 101 24.463 1.149 -6.905 761 2HG LYS 101 1HG LYS 101 22.932 2.011 -6.764 762 1HD LYS 101 2HD LYS 101 22.166 -0.139 -8.212 763 2HD LYS 101 1HD LYS 101 23.462 -0.842 -7.258 764 1HE LYS 101 2HE LYS 101 22.194 0.520 -5.335 765 2HE LYS 101 1HE LYS 101 20.834 0.203 -6.405 766 1HZ LYS 101 1HZ LYS 101 21.237 -1.513 -4.659 767 2HZ LYS 101 2HZ LYS 101 22.675 -1.916 -5.454 768 3HZ LYS 101 3HZ LYS 101 21.190 -2.116 -6.240 769 H SER 102 H SER 102 20.688 1.586 -7.823 770 HA SER 102 HA SER 102 19.212 0.591 -10.157 771 1HB SER 102 2HB SER 102 18.985 -1.571 -9.306 772 2HB SER 102 1HB SER 102 20.655 -1.174 -8.915 773 HG SER 102 HG SER 102 18.404 -1.203 -7.205 774 H MET 103 H MET 103 19.079 1.141 -6.654 775 HA MET 103 HA MET 103 16.194 1.273 -6.676 776 1HB MET 103 2HB MET 103 17.651 0.376 -4.773 777 2HB MET 103 1HB MET 103 17.995 2.058 -4.394 778 1HG MET 103 2HG MET 103 15.621 2.478 -4.050 779 2HG MET 103 1HG MET 103 15.262 0.800 -4.455 780 1HE MET 103 1HE MET 103 15.154 -0.925 -3.187 781 2HE MET 103 2HE MET 103 15.321 -1.026 -1.434 782 3HE MET 103 3HE MET 103 16.715 -1.328 -2.472 783 H TYR 104 H TYR 104 14.934 3.090 -6.248 784 HA TYR 104 HA TYR 104 16.308 5.681 -6.547 785 1HB TYR 104 2HB TYR 104 13.538 5.122 -7.598 786 2HB TYR 104 1HB TYR 104 14.589 6.483 -7.970 787 HD1 TYR 104 1HD TYR 104 13.123 4.270 -9.752 788 HD2 TYR 104 2HD TYR 104 17.135 4.946 -8.502 789 HE1 TYR 104 1HE TYR 104 13.939 3.084 -11.745 790 HE2 TYR 104 2HE TYR 104 17.960 3.761 -10.492 791 HH TYR 104 HH TYR 104 17.046 1.978 -12.085 792 H CYS 105 H CYS 105 15.284 7.496 -5.530 793 HA CYS 105 HA CYS 105 13.161 6.901 -3.616 794 1HB CYS 105 2HB CYS 105 15.867 7.998 -2.827 795 2HB CYS 105 1HB CYS 105 14.454 7.997 -1.778 796 HG CYS 105 HG CYS 105 14.568 5.310 -1.964 797 H ILE 106 H ILE 106 11.667 8.377 -4.061 798 HA ILE 106 HA ILE 106 12.492 11.036 -4.964 799 HB ILE 106 HB ILE 106 10.841 10.066 -6.378 800 1HG1 ILE 106 2HG1 ILE 106 8.991 11.776 -4.796 801 2HG1 ILE 106 1HG1 ILE 106 10.495 12.514 -5.340 802 1HG2 ILE 106 1HG2 ILE 106 8.512 9.620 -5.126 803 2HG2 ILE 106 2HG2 ILE 106 9.640 9.187 -3.842 804 3HG2 ILE 106 3HG2 ILE 106 9.730 8.376 -5.405 805 1HD1 ILE 106 1HD1 ILE 106 8.914 11.007 -7.331 806 2HD1 ILE 106 2HD1 ILE 106 9.885 12.467 -7.518 807 3HD1 ILE 106 3HD1 ILE 106 8.285 12.560 -6.782 808 H CYS 107 H CYS 107 12.790 12.511 -3.447 809 HA CYS 107 HA CYS 107 11.029 12.490 -1.083 810 1HB CYS 107 2HB CYS 107 13.563 14.044 -0.996 811 2HB CYS 107 1HB CYS 107 12.734 13.184 0.288 812 HG CYS 107 HG CYS 107 14.216 11.438 -1.773 813 H THR 108 H THR 108 9.598 14.074 -0.997 814 HA THR 108 HA THR 108 10.147 16.522 -2.520 815 HB THR 108 HB THR 108 8.166 15.053 -3.194 816 HG1 THR 108 1HG THR 108 7.565 17.729 -2.493 817 1HG2 THR 108 1HG2 THR 108 6.053 15.515 -1.988 818 2HG2 THR 108 2HG2 THR 108 6.995 16.230 -0.680 819 3HG2 THR 108 3HG2 THR 108 7.184 14.522 -1.071 820 H VAL 109 H VAL 109 10.182 18.427 -1.561 821 HA VAL 109 HA VAL 109 9.512 18.522 1.305 822 HB VAL 109 HB VAL 109 10.972 20.850 0.251 823 1HG1 VAL 109 1HG1 VAL 109 10.530 19.554 2.708 824 2HG1 VAL 109 2HG1 VAL 109 11.439 21.034 2.408 825 3HG1 VAL 109 3HG1 VAL 109 12.267 19.477 2.409 826 1HG2 VAL 109 1HG2 VAL 109 12.187 18.124 0.043 827 2HG2 VAL 109 2HG2 VAL 109 13.186 19.527 0.421 828 3HG2 VAL 109 3HG2 VAL 109 12.269 19.477 -1.085 829 H PHE 110 H PHE 110 7.769 19.637 1.857 830 HA PHE 110 HA PHE 110 6.541 21.357 -0.171 831 1HB PHE 110 2HB PHE 110 5.533 19.685 2.066 832 2HB PHE 110 1HB PHE 110 4.630 21.147 1.699 833 HD1 PHE 110 1HD PHE 110 6.284 18.468 -0.310 834 HD2 PHE 110 2HD PHE 110 2.768 20.746 0.437 835 HE1 PHE 110 1HE PHE 110 5.131 17.277 -2.128 836 HE2 PHE 110 2HE PHE 110 1.608 19.561 -1.380 837 HZ PHE 110 HZ PHE 110 2.790 17.823 -2.665 838 H GLY 111 H GLY 111 7.454 23.322 0.062 839 1HA GLY 111 2HA GLY 111 7.835 24.497 2.700 840 2HA GLY 111 1HA GLY 111 8.298 25.216 1.163 841 H LEU 112 H LEU 112 5.697 24.725 3.442 842 HA LEU 112 HA LEU 112 3.868 26.344 1.860 843 1HB LEU 112 2HB LEU 112 3.575 24.885 4.486 844 2HB LEU 112 1HB LEU 112 2.305 25.862 3.786 845 HG LEU 112 HG LEU 112 1.793 24.296 2.177 846 1HD1 LEU 112 1HD1 LEU 112 3.241 22.653 1.226 847 2HD1 LEU 112 2HD1 LEU 112 4.494 23.002 2.415 848 3HD1 LEU 112 3HD1 LEU 112 4.078 24.206 1.196 849 1HD2 LEU 112 1HD2 LEU 112 1.302 23.250 4.246 850 2HD2 LEU 112 2HD2 LEU 112 2.976 22.729 4.444 851 3HD2 LEU 112 3HD2 LEU 112 1.977 22.023 3.173 852 H ALA 113 H ALA 113 3.396 28.428 2.233 853 HA ALA 113 HA ALA 113 5.054 30.010 3.876 854 1HB ALA 113 1HB ALA 113 3.609 30.595 1.755 855 2HB ALA 113 2HB ALA 113 3.996 31.822 2.963 856 3HB ALA 113 3HB ALA 113 2.414 31.044 2.973 857 H ILE 114 H ILE 114 4.805 28.927 5.939 858 HA ILE 114 HA ILE 114 4.024 28.786 8.073 859 HB ILE 114 HB ILE 114 2.288 31.160 7.407 860 1HG1 ILE 114 2HG1 ILE 114 5.139 31.201 8.418 861 2HG1 ILE 114 1HG1 ILE 114 4.687 31.487 6.740 862 1HG2 ILE 114 1HG2 ILE 114 3.239 29.860 9.913 863 2HG2 ILE 114 2HG2 ILE 114 1.646 30.500 9.509 864 3HG2 ILE 114 3HG2 ILE 114 2.966 31.602 9.900 865 1HD1 ILE 114 1HD1 ILE 114 5.101 33.501 8.272 866 2HD1 ILE 114 2HD1 ILE 114 3.511 33.131 8.941 867 3HD1 ILE 114 3HD1 ILE 114 3.680 33.516 7.228 868 1H MET 1 1HT MET 1 -11.814 -17.396 -6.176 869 HA MET 1 HA MET 1 -12.801 -16.845 -8.864 870 1HB MET 1 2HB MET 1 -13.071 -15.558 -6.150 871 2HB MET 1 1HB MET 1 -13.390 -14.677 -7.638 872 1HG MET 1 2HG MET 1 -15.473 -15.427 -6.850 873 2HG MET 1 1HG MET 1 -15.058 -16.465 -8.213 874 1HE MET 1 1HE MET 1 -15.780 -15.935 -4.697 875 2HE MET 1 2HE MET 1 -15.803 -17.514 -3.912 876 3HE MET 1 3HE MET 1 -17.055 -17.092 -5.082 877 H GLU 2 H GLU 2 -10.026 -17.464 -8.101 878 HA GLU 2 HA GLU 2 -7.943 -16.686 -8.564 879 1HB GLU 2 2HB GLU 2 -9.502 -15.377 -10.363 880 2HB GLU 2 1HB GLU 2 -8.796 -14.017 -9.502 881 1HG GLU 2 2HG GLU 2 -6.560 -15.297 -9.900 882 2HG GLU 2 1HG GLU 2 -7.474 -16.091 -11.181 883 H GLY 3 H GLY 3 -9.640 -13.653 -7.745 884 1HA GLY 3 2HA GLY 3 -8.915 -13.438 -5.096 885 2HA GLY 3 1HA GLY 3 -7.539 -12.823 -5.998 886 H VAL 4 H VAL 4 -10.964 -12.498 -6.835 887 HA VAL 4 HA VAL 4 -10.618 -9.621 -7.030 888 HB VAL 4 HB VAL 4 -13.125 -11.210 -7.579 889 1HG1 VAL 4 1HG1 VAL 4 -12.209 -8.430 -8.241 890 2HG1 VAL 4 2HG1 VAL 4 -13.690 -8.943 -7.432 891 3HG1 VAL 4 3HG1 VAL 4 -13.484 -9.231 -9.159 892 1HG2 VAL 4 1HG2 VAL 4 -12.127 -10.660 -10.032 893 2HG2 VAL 4 2HG2 VAL 4 -11.888 -12.189 -9.188 894 3HG2 VAL 4 3HG2 VAL 4 -10.638 -10.946 -9.131 895 H ASP 5 H ASP 5 -10.796 -8.486 -5.201 896 HA ASP 5 HA ASP 5 -13.154 -8.942 -3.523 897 1HB ASP 5 2HB ASP 5 -10.772 -9.916 -2.709 898 2HB ASP 5 1HB ASP 5 -10.669 -8.284 -2.055 899 HA PRO 6 HA PRO 6 -12.941 -4.454 -4.389 900 1HB PRO 6 2HB PRO 6 -15.683 -4.523 -3.306 901 2HB PRO 6 1HB PRO 6 -15.108 -3.931 -4.866 902 1HG PRO 6 2HG PRO 6 -16.529 -6.195 -4.663 903 2HG PRO 6 1HG PRO 6 -15.222 -6.017 -5.851 904 1HD PRO 6 2HD PRO 6 -15.204 -7.432 -3.210 905 2HD PRO 6 1HD PRO 6 -14.503 -7.936 -4.764 906 H ALA 7 H ALA 7 -11.813 -3.364 -2.893 907 HA ALA 7 HA ALA 7 -11.216 -2.374 -0.926 908 1HB ALA 7 1HB ALA 7 -13.157 -1.167 -0.729 909 2HB ALA 7 2HB ALA 7 -13.211 -2.118 0.756 910 3HB ALA 7 3HB ALA 7 -14.171 -2.608 -0.639 911 H VAL 8 H VAL 8 -9.838 -4.049 -0.302 912 HA VAL 8 HA VAL 8 -10.969 -6.038 1.546 913 HB VAL 8 HB VAL 8 -8.122 -6.363 0.870 914 1HG1 VAL 8 1HG1 VAL 8 -8.572 -8.545 1.122 915 2HG1 VAL 8 2HG1 VAL 8 -10.130 -8.441 0.302 916 3HG1 VAL 8 3HG1 VAL 8 -9.975 -7.906 1.976 917 1HG2 VAL 8 1HG2 VAL 8 -8.966 -7.488 -1.380 918 2HG2 VAL 8 2HG2 VAL 8 -8.368 -5.833 -1.307 919 3HG2 VAL 8 3HG2 VAL 8 -10.104 -6.142 -1.313 920 H GLU 9 H GLU 9 -7.925 -4.319 1.130 921 HA GLU 9 HA GLU 9 -7.485 -4.319 3.991 922 1HB GLU 9 2HB GLU 9 -5.631 -3.068 2.001 923 2HB GLU 9 1HB GLU 9 -5.264 -3.882 3.504 924 1HG GLU 9 2HG GLU 9 -6.045 -6.015 2.373 925 2HG GLU 9 1HG GLU 9 -5.971 -5.099 0.868 926 H GLU 10 H GLU 10 -9.500 -2.838 4.013 927 HA GLU 10 HA GLU 10 -9.363 -0.162 3.211 928 1HB GLU 10 2HB GLU 10 -11.414 -1.367 3.993 929 2HB GLU 10 1HB GLU 10 -10.806 -1.243 5.637 930 1HG GLU 10 2HG GLU 10 -11.134 1.211 3.971 931 2HG GLU 10 1HG GLU 10 -12.529 0.478 4.763 932 H ALA 11 H ALA 11 -8.043 1.406 3.839 933 HA ALA 11 HA ALA 11 -6.723 1.175 6.456 934 1HB ALA 11 1HB ALA 11 -5.878 2.246 3.826 935 2HB ALA 11 2HB ALA 11 -4.969 1.320 5.021 936 3HB ALA 11 3HB ALA 11 -5.252 3.043 5.270 937 H ALA 12 H ALA 12 -6.650 2.889 7.874 938 HA ALA 12 HA ALA 12 -7.410 4.708 9.000 939 1HB ALA 12 1HB ALA 12 -6.325 5.749 6.911 940 2HB ALA 12 2HB ALA 12 -7.396 6.749 7.894 941 3HB ALA 12 3HB ALA 12 -7.982 6.048 6.385 942 H PHE 13 H PHE 13 -9.250 4.532 10.071 943 HA PHE 13 HA PHE 13 -11.775 4.514 8.550 944 1HB PHE 13 2HB PHE 13 -10.910 2.534 10.190 945 2HB PHE 13 1HB PHE 13 -11.804 3.526 11.338 946 HD1 PHE 13 1HD PHE 13 -12.210 0.667 9.805 947 HD2 PHE 13 2HD PHE 13 -14.026 4.514 9.733 948 HE1 PHE 13 1HE PHE 13 -14.314 -0.347 9.031 949 HE2 PHE 13 2HE PHE 13 -16.135 3.508 8.961 950 HZ PHE 13 HZ PHE 13 -16.280 1.075 8.608 951 H VAL 14 H VAL 14 -10.307 6.856 9.390 952 HA VAL 14 HA VAL 14 -12.008 7.937 11.527 953 HB VAL 14 HB VAL 14 -9.531 9.194 10.341 954 1HG1 VAL 14 1HG1 VAL 14 -9.832 10.905 11.747 955 2HG1 VAL 14 2HG1 VAL 14 -10.288 9.849 13.083 956 3HG1 VAL 14 3HG1 VAL 14 -11.491 10.327 11.888 957 1HG2 VAL 14 1HG2 VAL 14 -9.560 6.871 11.816 958 2HG2 VAL 14 2HG2 VAL 14 -9.296 8.111 13.040 959 3HG2 VAL 14 3HG2 VAL 14 -8.199 7.981 11.666 960 H ALA 15 H ALA 15 -13.278 9.735 11.217 961 HA ALA 15 HA ALA 15 -14.551 11.266 10.118 962 1HB ALA 15 1HB ALA 15 -13.493 12.736 8.727 963 2HB ALA 15 2HB ALA 15 -12.648 11.465 7.844 964 3HB ALA 15 3HB ALA 15 -12.085 11.949 9.443 965 H ASP 16 H ASP 16 -15.987 9.417 9.754 966 HA ASP 16 HA ASP 16 -16.003 7.878 7.421 967 1HB ASP 16 2HB ASP 16 -18.486 7.623 7.929 968 2HB ASP 16 1HB ASP 16 -17.375 7.154 9.211 969 H ASP 17 H ASP 17 -17.106 11.130 8.030 970 HA ASP 17 HA ASP 17 -18.859 11.517 5.912 971 1HB ASP 17 2HB ASP 17 -18.208 13.104 7.848 972 2HB ASP 17 1HB ASP 17 -16.919 13.645 6.777 973 H VAL 18 H VAL 18 -15.341 12.035 5.988 974 HA VAL 18 HA VAL 18 -15.243 12.612 3.163 975 HB VAL 18 HB VAL 18 -12.926 12.065 5.019 976 1HG1 VAL 18 1HG1 VAL 18 -12.539 12.019 2.536 977 2HG1 VAL 18 2HG1 VAL 18 -11.584 13.204 3.427 978 3HG1 VAL 18 3HG1 VAL 18 -12.997 13.722 2.508 979 1HG2 VAL 18 1HG2 VAL 18 -14.402 13.865 5.873 980 2HG2 VAL 18 2HG2 VAL 18 -14.164 14.733 4.355 981 3HG2 VAL 18 3HG2 VAL 18 -12.794 14.435 5.425 982 H SER 19 H SER 19 -14.698 9.864 5.253 983 HA SER 19 HA SER 19 -13.225 8.240 3.531 984 1HB SER 19 2HB SER 19 -13.642 6.503 5.016 985 2HB SER 19 1HB SER 19 -13.906 7.915 6.038 986 HG SER 19 HG SER 19 -15.706 6.037 5.101 987 H ASN 20 H ASN 20 -16.730 8.680 3.804 988 HA ASN 20 HA ASN 20 -17.368 6.624 1.947 989 1HB ASN 20 2HB ASN 20 -19.626 7.503 1.997 990 2HB ASN 20 1HB ASN 20 -18.972 7.482 3.631 991 1HD2 ASN 20 1HD2 ASN 20 -19.112 9.272 4.778 992 2HD2 ASN 20 2HD2 ASN 20 -19.474 10.843 4.157 993 H ILE 21 H ILE 21 -16.967 10.133 1.635 994 HA ILE 21 HA ILE 21 -17.831 10.470 -0.989 995 HB ILE 21 HB ILE 21 -15.604 11.913 0.477 996 1HG1 ILE 21 2HG1 ILE 21 -18.519 12.605 0.088 997 2HG1 ILE 21 1HG1 ILE 21 -17.777 12.054 1.585 998 1HG2 ILE 21 1HG2 ILE 21 -15.951 13.754 -1.118 999 2HG2 ILE 21 2HG2 ILE 21 -17.061 12.737 -2.034 1000 3HG2 ILE 21 3HG2 ILE 21 -15.360 12.292 -1.908 1001 1HD1 ILE 21 1HD1 ILE 21 -17.506 14.681 0.200 1002 2HD1 ILE 21 2HD1 ILE 21 -16.270 14.123 1.327 1003 3HD1 ILE 21 3HD1 ILE 21 -17.932 14.337 1.876 1004 H ILE 22 H ILE 22 -14.484 9.879 0.126 1005 HA ILE 22 HA ILE 22 -13.344 9.763 -2.415 1006 HB ILE 22 HB ILE 22 -12.016 9.991 -0.374 1007 1HG1 ILE 22 2HG1 ILE 22 -10.183 8.431 -1.007 1008 2HG1 ILE 22 1HG1 ILE 22 -11.306 7.591 -2.071 1009 1HG2 ILE 22 1HG2 ILE 22 -11.544 8.137 1.076 1010 2HG2 ILE 22 2HG2 ILE 22 -12.536 7.063 0.092 1011 3HG2 ILE 22 3HG2 ILE 22 -13.288 8.377 0.995 1012 1HD1 ILE 22 1HD1 ILE 22 -11.586 9.646 -3.373 1013 2HD1 ILE 22 2HD1 ILE 22 -9.907 9.109 -3.327 1014 3HD1 ILE 22 3HD1 ILE 22 -10.429 10.458 -2.318 1015 H LYS 23 H LYS 23 -14.521 7.057 -0.384 1016 HA LYS 23 HA LYS 23 -13.868 5.044 -2.237 1017 1HB LYS 23 2HB LYS 23 -15.725 5.202 0.095 1018 2HB LYS 23 1HB LYS 23 -15.776 3.798 -0.963 1019 1HG LYS 23 2HG LYS 23 -13.425 3.378 -0.552 1020 2HG LYS 23 1HG LYS 23 -13.335 4.813 0.469 1021 1HD LYS 23 2HD LYS 23 -14.153 3.718 2.230 1022 2HD LYS 23 1HD LYS 23 -15.495 3.066 1.294 1023 1HE LYS 23 2HE LYS 23 -14.510 1.080 1.071 1024 2HE LYS 23 1HE LYS 23 -12.967 1.803 0.624 1025 1HZ LYS 23 1HZ LYS 23 -12.565 2.213 3.006 1026 2HZ LYS 23 2HZ LYS 23 -12.712 0.568 2.643 1027 3HZ LYS 23 3HZ LYS 23 -13.994 1.387 3.379 1028 H GLU 24 H GLU 24 -17.002 6.609 -1.600 1029 HA GLU 24 HA GLU 24 -18.493 5.329 -3.562 1030 1HB GLU 24 2HB GLU 24 -18.690 7.874 -2.090 1031 2HB GLU 24 1HB GLU 24 -19.500 7.898 -3.640 1032 1HG GLU 24 2HG GLU 24 -21.003 7.267 -1.827 1033 2HG GLU 24 1HG GLU 24 -20.828 5.976 -3.014 1034 H SER 25 H SER 25 -16.206 7.967 -3.830 1035 HA SER 25 HA SER 25 -16.787 8.591 -6.550 1036 1HB SER 25 2HB SER 25 -14.569 9.267 -4.642 1037 2HB SER 25 1HB SER 25 -14.369 9.606 -6.361 1038 HG SER 25 HG SER 25 -16.019 10.806 -4.494 1039 H ILE 26 H ILE 26 -14.230 6.618 -4.970 1040 HA ILE 26 HA ILE 26 -12.923 5.854 -7.344 1041 HB ILE 26 HB ILE 26 -13.039 4.706 -4.580 1042 1HG1 ILE 26 2HG1 ILE 26 -10.483 4.861 -5.086 1043 2HG1 ILE 26 1HG1 ILE 26 -11.008 5.875 -6.427 1044 1HG2 ILE 26 1HG2 ILE 26 -12.966 2.599 -5.486 1045 2HG2 ILE 26 2HG2 ILE 26 -11.250 3.003 -5.531 1046 3HG2 ILE 26 3HG2 ILE 26 -12.229 3.152 -6.990 1047 1HD1 ILE 26 1HD1 ILE 26 -10.391 7.117 -4.383 1048 2HD1 ILE 26 2HD1 ILE 26 -11.755 6.355 -3.565 1049 3HD1 ILE 26 3HD1 ILE 26 -12.035 7.417 -4.945 1050 H ASP 27 H ASP 27 -15.586 4.386 -5.563 1051 HA ASP 27 HA ASP 27 -15.975 2.074 -7.004 1052 1HB ASP 27 2HB ASP 27 -17.252 2.539 -5.011 1053 2HB ASP 27 1HB ASP 27 -17.948 3.974 -5.727 1054 H ALA 28 H ALA 28 -16.913 5.368 -7.775 1055 HA ALA 28 HA ALA 28 -18.228 4.576 -10.248 1056 1HB ALA 28 1HB ALA 28 -17.931 7.127 -8.723 1057 2HB ALA 28 2HB ALA 28 -19.395 6.296 -9.247 1058 3HB ALA 28 3HB ALA 28 -18.410 7.170 -10.420 1059 H VAL 29 H VAL 29 -15.362 6.386 -9.237 1060 HA VAL 29 HA VAL 29 -14.542 7.058 -11.862 1061 HB VAL 29 HB VAL 29 -13.696 7.584 -9.122 1062 1HG1 VAL 29 1HG1 VAL 29 -11.538 7.058 -11.076 1063 2HG1 VAL 29 2HG1 VAL 29 -11.563 6.890 -9.322 1064 3HG1 VAL 29 3HG1 VAL 29 -11.423 8.474 -10.042 1065 1HG2 VAL 29 1HG2 VAL 29 -14.685 9.315 -10.245 1066 2HG2 VAL 29 2HG2 VAL 29 -13.763 9.015 -11.717 1067 3HG2 VAL 29 3HG2 VAL 29 -12.978 9.713 -10.311 1068 H LEU 30 H LEU 30 -14.497 4.123 -10.264 1069 HA LEU 30 HA LEU 30 -12.313 3.198 -11.991 1070 1HB LEU 30 2HB LEU 30 -13.052 2.329 -9.213 1071 2HB LEU 30 1HB LEU 30 -12.108 1.308 -10.280 1072 HG LEU 30 HG LEU 30 -10.693 2.614 -8.718 1073 1HD1 LEU 30 1HD1 LEU 30 -10.400 3.450 -11.583 1074 2HD1 LEU 30 2HD1 LEU 30 -9.856 1.910 -10.920 1075 3HD1 LEU 30 3HD1 LEU 30 -9.130 3.420 -10.363 1076 1HD2 LEU 30 1HD2 LEU 30 -11.163 5.086 -10.275 1077 2HD2 LEU 30 2HD2 LEU 30 -10.675 4.875 -8.594 1078 3HD2 LEU 30 3HD2 LEU 30 -12.358 4.664 -9.056 1079 H GLN 31 H GLN 31 -15.609 2.618 -10.832 1080 HA GLN 31 HA GLN 31 -15.763 0.147 -12.363 1081 1HB GLN 31 2HB GLN 31 -16.931 0.577 -10.119 1082 2HB GLN 31 1HB GLN 31 -18.080 1.515 -11.050 1083 1HG GLN 31 2HG GLN 31 -18.691 -0.372 -12.348 1084 2HG GLN 31 1HG GLN 31 -17.432 -1.335 -11.592 1085 1HE2 GLN 31 1HE2 GLN 31 -20.479 -1.424 -11.716 1086 2HE2 GLN 31 2HE2 GLN 31 -20.946 -1.675 -10.072 1087 H ASN 32 H ASN 32 -16.369 3.504 -12.909 1088 HA ASN 32 HA ASN 32 -18.496 3.492 -14.670 1089 1HB ASN 32 2HB ASN 32 -17.574 5.516 -15.661 1090 2HB ASN 32 1HB ASN 32 -17.378 5.555 -13.917 1091 1HD2 ASN 32 1HD2 ASN 32 -15.271 5.158 -13.045 1092 2HD2 ASN 32 2HD2 ASN 32 -13.863 5.456 -13.998 1093 H GLN 33 H GLN 33 -15.073 2.908 -15.461 1094 HA GLN 33 HA GLN 33 -15.976 1.766 -18.025 1095 1HB GLN 33 2HB GLN 33 -14.431 3.974 -17.808 1096 2HB GLN 33 1HB GLN 33 -13.186 2.733 -17.829 1097 1HG GLN 33 2HG GLN 33 -13.316 2.819 -20.040 1098 2HG GLN 33 1HG GLN 33 -14.863 1.987 -19.885 1099 1HE2 GLN 33 1HE2 GLN 33 -16.738 3.088 -20.251 1100 2HE2 GLN 33 2HE2 GLN 33 -16.793 4.702 -20.861 1101 H GLN 34 H GLN 34 -13.768 0.546 -18.910 1102 HA GLN 34 HA GLN 34 -13.477 -1.650 -17.023 1103 1HB GLN 34 2HB GLN 34 -13.998 -1.791 -19.593 1104 2HB GLN 34 1HB GLN 34 -12.255 -1.637 -19.756 1105 1HG GLN 34 2HG GLN 34 -11.884 -3.733 -19.089 1106 2HG GLN 34 1HG GLN 34 -13.076 -3.635 -17.794 1107 1HE2 GLN 34 1HE2 GLN 34 -14.435 -5.257 -18.031 1108 2HE2 GLN 34 2HE2 GLN 34 -15.194 -5.741 -19.505 1109 H TYR 35 H TYR 35 -11.233 -2.756 -17.111 1110 HA TYR 35 HA TYR 35 -9.367 -1.054 -15.886 1111 1HB TYR 35 2HB TYR 35 -9.347 -3.367 -15.332 1112 2HB TYR 35 1HB TYR 35 -9.194 -3.843 -17.015 1113 HD1 TYR 35 1HD TYR 35 -7.119 -1.163 -15.570 1114 HD2 TYR 35 2HD TYR 35 -7.318 -5.285 -16.609 1115 HE1 TYR 35 1HE TYR 35 -4.685 -1.351 -15.288 1116 HE2 TYR 35 2HE TYR 35 -4.884 -5.478 -16.330 1117 HH TYR 35 HH TYR 35 -3.069 -3.692 -14.713 1118 H SER 36 H SER 36 -8.335 0.606 -16.944 1119 HA SER 36 HA SER 36 -7.086 -0.112 -19.535 1120 1HB SER 36 2HB SER 36 -8.863 2.164 -18.865 1121 2HB SER 36 1HB SER 36 -7.457 2.543 -19.860 1122 HG SER 36 HG SER 36 -8.497 1.703 -21.465 1123 H GLU 37 H GLU 37 -4.934 0.086 -19.499 1124 HA GLU 37 HA GLU 37 -3.465 1.056 -17.313 1125 1HB GLU 37 2HB GLU 37 -2.550 -0.499 -18.999 1126 2HB GLU 37 1HB GLU 37 -2.570 0.787 -20.197 1127 1HG GLU 37 2HG GLU 37 -0.472 1.186 -19.599 1128 2HG GLU 37 1HG GLU 37 -1.139 1.891 -18.126 1129 H ALA 38 H ALA 38 -4.705 2.685 -20.151 1130 HA ALA 38 HA ALA 38 -3.197 5.101 -19.713 1131 1HB ALA 38 1HB ALA 38 -4.927 6.043 -21.349 1132 2HB ALA 38 2HB ALA 38 -5.514 4.386 -21.489 1133 3HB ALA 38 3HB ALA 38 -3.855 4.775 -21.947 1134 H LYS 39 H LYS 39 -5.731 3.677 -18.103 1135 HA LYS 39 HA LYS 39 -6.757 6.231 -17.114 1136 1HB LYS 39 2HB LYS 39 -8.038 3.752 -17.978 1137 2HB LYS 39 1HB LYS 39 -8.576 4.282 -16.399 1138 1HG LYS 39 2HG LYS 39 -10.024 5.135 -18.105 1139 2HG LYS 39 1HG LYS 39 -9.161 6.464 -17.337 1140 1HD LYS 39 2HD LYS 39 -8.974 7.000 -19.570 1141 2HD LYS 39 1HD LYS 39 -7.475 6.119 -19.281 1142 1HE LYS 39 2HE LYS 39 -8.138 4.311 -20.503 1143 2HE LYS 39 1HE LYS 39 -9.845 4.558 -20.140 1144 1HZ LYS 39 1HZ LYS 39 -9.896 6.388 -21.691 1145 2HZ LYS 39 2HZ LYS 39 -9.312 5.004 -22.470 1146 3HZ LYS 39 3HZ LYS 39 -8.240 6.226 -22.002 1147 H VAL 40 H VAL 40 -5.011 3.393 -16.312 1148 HA VAL 40 HA VAL 40 -5.724 2.805 -13.734 1149 HB VAL 40 HB VAL 40 -3.344 2.142 -13.362 1150 1HG1 VAL 40 1HG1 VAL 40 -4.783 1.254 -15.826 1151 2HG1 VAL 40 2HG1 VAL 40 -4.755 0.496 -14.235 1152 3HG1 VAL 40 3HG1 VAL 40 -3.313 0.472 -15.250 1153 1HG2 VAL 40 1HG2 VAL 40 -2.267 2.305 -15.916 1154 2HG2 VAL 40 2HG2 VAL 40 -1.763 3.213 -14.492 1155 3HG2 VAL 40 3HG2 VAL 40 -2.940 3.906 -15.605 1156 H SER 41 H SER 41 -3.906 5.575 -14.879 1157 HA SER 41 HA SER 41 -3.578 6.490 -12.088 1158 1HB SER 41 2HB SER 41 -1.553 6.337 -13.684 1159 2HB SER 41 1HB SER 41 -2.247 7.745 -14.490 1160 HG SER 41 HG SER 41 -2.211 8.769 -12.379 1161 H GLN 42 H GLN 42 -4.990 7.259 -15.184 1162 HA GLN 42 HA GLN 42 -5.775 9.904 -14.492 1163 1HB GLN 42 2HB GLN 42 -7.080 8.083 -16.514 1164 2HB GLN 42 1HB GLN 42 -7.158 9.832 -16.468 1165 1HG GLN 42 2HG GLN 42 -4.841 8.087 -17.201 1166 2HG GLN 42 1HG GLN 42 -5.640 9.311 -18.179 1167 1HE2 GLN 42 1HE2 GLN 42 -5.670 11.259 -15.968 1168 2HE2 GLN 42 2HE2 GLN 42 -4.045 11.819 -15.815 1169 H TRP 43 H TRP 43 -7.101 6.737 -14.035 1170 HA TRP 43 HA TRP 43 -9.736 7.131 -13.379 1171 1HB TRP 43 2HB TRP 43 -7.560 5.350 -12.306 1172 2HB TRP 43 1HB TRP 43 -9.115 5.367 -11.496 1173 HD1 TRP 43 HD TRP 43 -10.454 5.611 -14.692 1174 HE1 TRP 43 1HE TRP 43 -10.846 3.368 -15.810 1175 HE3 TRP 43 3HE TRP 43 -7.337 2.742 -11.846 1176 HZ2 TRP 43 2HZ TRP 43 -9.963 0.723 -15.562 1177 HZ3 TRP 43 3HZ TRP 43 -7.161 0.343 -12.366 1178 HH2 TRP 43 HH TRP 43 -8.448 -0.647 -14.186 1179 H THR 44 H THR 44 -7.095 7.000 -11.040 1180 HA THR 44 HA THR 44 -8.472 8.045 -8.882 1181 HB THR 44 HB THR 44 -6.295 6.789 -8.905 1182 HG1 THR 44 1HG THR 44 -7.007 7.614 -6.984 1183 1HG2 THR 44 1HG2 THR 44 -4.876 7.947 -10.327 1184 2HG2 THR 44 2HG2 THR 44 -4.275 8.260 -8.700 1185 3HG2 THR 44 3HG2 THR 44 -5.207 9.492 -9.548 1186 H SER 45 H SER 45 -7.097 9.704 -11.563 1187 HA SER 45 HA SER 45 -6.782 12.240 -10.273 1188 1HB SER 45 2HB SER 45 -6.159 13.083 -12.347 1189 2HB SER 45 1HB SER 45 -5.751 11.381 -12.529 1190 HG SER 45 HG SER 45 -6.930 12.202 -14.321 1191 H SER 46 H SER 46 -9.255 10.676 -12.208 1192 HA SER 46 HA SER 46 -11.092 12.841 -12.196 1193 1HB SER 46 2HB SER 46 -10.960 10.274 -13.342 1194 2HB SER 46 1HB SER 46 -12.371 10.246 -12.299 1195 HG SER 46 HG SER 46 -11.852 12.254 -14.230 1196 H CYS 47 H CYS 47 -10.351 10.171 -10.077 1197 HA CYS 47 HA CYS 47 -12.536 10.291 -8.317 1198 1HB CYS 47 2HB CYS 47 -11.197 8.410 -7.987 1199 2HB CYS 47 1HB CYS 47 -9.725 9.304 -8.223 1200 HG CYS 47 HG CYS 47 -11.177 9.716 -5.533 1201 H LEU 48 H LEU 48 -9.374 11.826 -8.311 1202 HA LEU 48 HA LEU 48 -9.643 13.265 -5.948 1203 1HB LEU 48 2HB LEU 48 -7.874 13.287 -8.298 1204 2HB LEU 48 1HB LEU 48 -7.969 14.806 -7.432 1205 HG LEU 48 HG LEU 48 -7.009 13.943 -5.521 1206 1HD1 LEU 48 1HD1 LEU 48 -7.909 11.245 -6.474 1207 2HD1 LEU 48 2HD1 LEU 48 -8.373 12.100 -5.008 1208 3HD1 LEU 48 3HD1 LEU 48 -6.748 11.441 -5.161 1209 1HD2 LEU 48 1HD2 LEU 48 -5.797 12.474 -7.853 1210 2HD2 LEU 48 2HD2 LEU 48 -5.051 12.556 -6.258 1211 3HD2 LEU 48 3HD2 LEU 48 -5.307 14.032 -7.189 1212 H GLU 49 H GLU 49 -10.674 13.997 -9.231 1213 HA GLU 49 HA GLU 49 -11.483 16.651 -8.472 1214 1HB GLU 49 2HB GLU 49 -10.868 15.951 -10.852 1215 2HB GLU 49 1HB GLU 49 -12.484 15.246 -10.923 1216 1HG GLU 49 2HG GLU 49 -13.253 17.547 -10.056 1217 2HG GLU 49 1HG GLU 49 -11.693 18.111 -10.622 1218 H HIS 50 H HIS 50 -12.890 13.472 -8.694 1219 HA HIS 50 HA HIS 50 -15.571 14.420 -8.138 1220 1HB HIS 50 2HB HIS 50 -14.360 11.675 -8.455 1221 2HB HIS 50 1HB HIS 50 -16.030 11.911 -7.953 1222 HD1 HIS 50 1HD HIS 50 -17.418 13.538 -9.754 1223 HD2 HIS 50 2HD HIS 50 -14.106 11.441 -11.131 1224 HE1 HIS 50 1HE HIS 50 -17.668 13.454 -12.255 1225 HE2 HIS 50 2HE HIS 50 -15.694 12.110 -13.059 1226 H CYS 51 H CYS 51 -12.899 14.222 -6.278 1227 HA CYS 51 HA CYS 51 -14.316 13.320 -3.867 1228 1HB CYS 51 2HB CYS 51 -12.030 12.257 -4.559 1229 2HB CYS 51 1HB CYS 51 -11.327 13.795 -4.076 1230 HG CYS 51 HG CYS 51 -11.485 13.115 -1.731 1231 H ILE 52 H ILE 52 -12.242 15.746 -5.299 1232 HA ILE 52 HA ILE 52 -12.304 17.607 -3.184 1233 HB ILE 52 HB ILE 52 -10.609 17.488 -5.017 1234 1HG1 ILE 52 2HG1 ILE 52 -10.776 19.474 -3.625 1235 2HG1 ILE 52 1HG1 ILE 52 -10.254 19.849 -5.262 1236 1HG2 ILE 52 1HG2 ILE 52 -12.517 18.983 -6.736 1237 2HG2 ILE 52 2HG2 ILE 52 -12.359 17.230 -6.819 1238 3HG2 ILE 52 3HG2 ILE 52 -10.973 18.258 -7.172 1239 1HD1 ILE 52 1HD1 ILE 52 -12.878 20.193 -5.529 1240 2HD1 ILE 52 2HD1 ILE 52 -11.758 21.474 -5.059 1241 3HD1 ILE 52 3HD1 ILE 52 -12.683 20.614 -3.828 1242 H LYS 53 H LYS 53 -14.178 17.291 -6.213 1243 HA LYS 53 HA LYS 53 -15.741 19.595 -5.932 1244 1HB LYS 53 2HB LYS 53 -15.963 17.062 -7.468 1245 2HB LYS 53 1HB LYS 53 -17.443 17.975 -7.253 1246 1HG LYS 53 2HG LYS 53 -16.235 18.450 -9.370 1247 2HG LYS 53 1HG LYS 53 -16.531 19.867 -8.374 1248 1HD LYS 53 2HD LYS 53 -13.981 18.540 -7.857 1249 2HD LYS 53 1HD LYS 53 -14.139 19.207 -9.480 1250 1HE LYS 53 2HE LYS 53 -14.962 20.907 -7.184 1251 2HE LYS 53 1HE LYS 53 -13.239 20.667 -7.460 1252 1HZ LYS 53 1HZ LYS 53 -14.959 21.437 -9.713 1253 2HZ LYS 53 2HZ LYS 53 -13.316 21.751 -9.461 1254 3HZ LYS 53 3HZ LYS 53 -14.483 22.619 -8.599 1255 H ARG 54 H ARG 54 -16.093 16.371 -4.602 1256 HA ARG 54 HA ARG 54 -18.737 16.718 -3.622 1257 1HB ARG 54 2HB ARG 54 -16.724 14.663 -3.613 1258 2HB ARG 54 1HB ARG 54 -17.381 14.839 -1.992 1259 1HG ARG 54 2HG ARG 54 -18.926 14.291 -4.511 1260 2HG ARG 54 1HG ARG 54 -18.626 13.170 -3.183 1261 1HD ARG 54 2HD ARG 54 -20.443 13.898 -2.147 1262 2HD ARG 54 1HD ARG 54 -19.793 15.532 -2.109 1263 HE ARG 54 HE ARG 54 -21.176 16.088 -3.848 1264 1HH1 ARG 54 1HH1 ARG 54 -21.077 12.602 -3.571 1265 2HH1 ARG 54 2HH1 ARG 54 -22.350 12.355 -4.717 1266 1HH2 ARG 54 1HH2 ARG 54 -22.848 15.755 -5.352 1267 2HH2 ARG 54 2HH2 ARG 54 -23.354 14.141 -5.728 1268 H LEU 55 H LEU 55 -15.531 16.980 -2.158 1269 HA LEU 55 HA LEU 55 -16.345 17.620 0.438 1270 1HB LEU 55 2HB LEU 55 -13.857 18.289 -1.116 1271 2HB LEU 55 1HB LEU 55 -14.050 18.691 0.583 1272 HG LEU 55 HG LEU 55 -14.133 15.910 -0.585 1273 1HD1 LEU 55 1HD1 LEU 55 -11.891 16.931 -0.558 1274 2HD1 LEU 55 2HD1 LEU 55 -12.038 15.552 0.532 1275 3HD1 LEU 55 3HD1 LEU 55 -12.061 17.192 1.178 1276 1HD2 LEU 55 1HD2 LEU 55 -14.083 15.256 1.829 1277 2HD2 LEU 55 2HD2 LEU 55 -15.589 15.989 1.279 1278 3HD2 LEU 55 3HD2 LEU 55 -14.438 16.938 2.219 1279 H THR 56 H THR 56 -16.145 19.559 -2.439 1280 HA THR 56 HA THR 56 -16.357 22.083 -1.082 1281 HB THR 56 HB THR 56 -16.445 23.067 -3.233 1282 HG1 THR 56 1HG THR 56 -17.653 22.205 -4.691 1283 1HG2 THR 56 1HG2 THR 56 -14.382 22.505 -3.785 1284 2HG2 THR 56 2HG2 THR 56 -14.948 20.969 -4.436 1285 3HG2 THR 56 3HG2 THR 56 -14.500 21.094 -2.735 1286 H ALA 57 H ALA 57 -18.521 19.751 -2.538 1287 HA ALA 57 HA ALA 57 -20.868 21.349 -2.486 1288 1HB ALA 57 1HB ALA 57 -20.392 19.113 -3.731 1289 2HB ALA 57 2HB ALA 57 -22.016 19.437 -3.127 1290 3HB ALA 57 3HB ALA 57 -20.938 18.366 -2.230 1291 H LEU 58 H LEU 58 -19.262 19.239 -0.200 1292 HA LEU 58 HA LEU 58 -21.391 19.415 1.747 1293 1HB LEU 58 2HB LEU 58 -18.921 17.884 1.366 1294 2HB LEU 58 1HB LEU 58 -19.228 18.321 3.032 1295 HG LEU 58 HG LEU 58 -21.539 17.177 1.603 1296 1HD1 LEU 58 1HD1 LEU 58 -19.664 15.116 2.534 1297 2HD1 LEU 58 2HD1 LEU 58 -19.202 15.934 1.041 1298 3HD1 LEU 58 3HD1 LEU 58 -20.762 15.118 1.154 1299 1HD2 LEU 58 1HD2 LEU 58 -21.977 17.442 3.828 1300 2HD2 LEU 58 2HD2 LEU 58 -20.313 17.116 4.311 1301 3HD2 LEU 58 3HD2 LEU 58 -21.369 15.786 3.834 1302 H ASN 59 H ASN 59 -18.363 20.976 1.027 1303 HA ASN 59 HA ASN 59 -17.121 22.574 2.064 1304 1HB ASN 59 2HB ASN 59 -18.365 24.548 2.717 1305 2HB ASN 59 1HB ASN 59 -19.098 23.839 1.283 1306 1HD2 ASN 59 1HD2 ASN 59 -21.082 22.753 1.480 1307 2HD2 ASN 59 2HD2 ASN 59 -22.136 23.044 2.819 1308 H LYS 60 H LYS 60 -16.773 20.538 3.610 1309 HA LYS 60 HA LYS 60 -16.249 21.570 6.149 1310 1HB LYS 60 2HB LYS 60 -18.886 21.106 6.047 1311 2HB LYS 60 1HB LYS 60 -18.347 19.496 6.503 1312 1HG LYS 60 2HG LYS 60 -17.077 20.591 8.390 1313 2HG LYS 60 1HG LYS 60 -17.956 22.071 7.999 1314 1HD LYS 60 2HD LYS 60 -20.001 20.314 8.125 1315 2HD LYS 60 1HD LYS 60 -18.891 19.589 9.291 1316 1HE LYS 60 2HE LYS 60 -19.061 21.332 10.745 1317 2HE LYS 60 1HE LYS 60 -19.322 22.516 9.465 1318 1HZ LYS 60 1HZ LYS 60 -21.355 22.366 10.561 1319 2HZ LYS 60 2HZ LYS 60 -21.285 20.681 10.695 1320 3HZ LYS 60 3HZ LYS 60 -21.574 21.398 9.190 1321 HA PRO 61 HA PRO 61 -14.540 21.330 7.366 1322 1HB PRO 61 2HB PRO 61 -11.887 20.657 6.301 1323 2HB PRO 61 1HB PRO 61 -12.388 20.932 7.970 1324 1HG PRO 61 2HG PRO 61 -11.753 18.482 7.080 1325 2HG PRO 61 1HG PRO 61 -13.039 18.737 8.276 1326 1HD PRO 61 2HD PRO 61 -13.263 18.237 5.329 1327 2HD PRO 61 1HD PRO 61 -14.230 17.570 6.661 1328 H PHE 62 H PHE 62 -12.446 22.830 6.337 1329 HA PHE 62 HA PHE 62 -13.624 23.756 3.817 1330 1HB PHE 62 2HB PHE 62 -12.994 25.152 6.078 1331 2HB PHE 62 1HB PHE 62 -11.559 25.425 5.096 1332 HD1 PHE 62 1HD PHE 62 -15.247 25.735 5.113 1333 HD2 PHE 62 2HD PHE 62 -11.582 26.962 3.332 1334 HE1 PHE 62 1HE PHE 62 -16.444 27.483 3.862 1335 HE2 PHE 62 2HE PHE 62 -12.773 28.713 2.079 1336 HZ PHE 62 HZ PHE 62 -15.207 28.975 2.344 1337 H LYS 63 H LYS 63 -10.345 23.656 5.232 1338 HA LYS 63 HA LYS 63 -9.185 23.461 2.584 1339 1HB LYS 63 2HB LYS 63 -8.220 24.842 4.484 1340 2HB LYS 63 1HB LYS 63 -7.737 23.324 5.227 1341 1HG LYS 63 2HG LYS 63 -6.133 22.896 3.635 1342 2HG LYS 63 1HG LYS 63 -6.922 23.904 2.418 1343 1HD LYS 63 2HD LYS 63 -5.008 25.107 3.078 1344 2HD LYS 63 1HD LYS 63 -6.355 25.881 3.915 1345 1HE LYS 63 2HE LYS 63 -5.779 24.297 5.858 1346 2HE LYS 63 1HE LYS 63 -4.247 24.058 5.021 1347 1HZ LYS 63 1HZ LYS 63 -5.281 26.450 6.357 1348 2HZ LYS 63 2HZ LYS 63 -4.271 26.663 5.017 1349 3HZ LYS 63 3HZ LYS 63 -3.718 25.800 6.364 1350 H TYR 64 H TYR 64 -9.372 21.500 1.650 1351 HA TYR 64 HA TYR 64 -8.374 19.208 3.197 1352 1HB TYR 64 2HB TYR 64 -10.090 17.873 1.713 1353 2HB TYR 64 1HB TYR 64 -10.601 18.633 3.215 1354 HD1 TYR 64 1HD TYR 64 -12.146 20.461 3.213 1355 HD2 TYR 64 2HD TYR 64 -10.691 18.885 -0.460 1356 HE1 TYR 64 1HE TYR 64 -13.873 21.720 1.998 1357 HE2 TYR 64 2HE TYR 64 -12.414 20.138 -1.686 1358 HH TYR 64 HH TYR 64 -14.203 22.625 -0.313 1359 H VAL 65 H VAL 65 -7.118 17.746 2.133 1360 HA VAL 65 HA VAL 65 -6.391 18.440 -0.629 1361 HB VAL 65 HB VAL 65 -4.519 16.622 0.670 1362 1HG1 VAL 65 1HG1 VAL 65 -4.344 19.179 -0.864 1363 2HG1 VAL 65 2HG1 VAL 65 -3.862 17.553 -1.352 1364 3HG1 VAL 65 3HG1 VAL 65 -2.920 18.426 -0.143 1365 1HG2 VAL 65 1HG2 VAL 65 -3.534 17.945 2.277 1366 2HG2 VAL 65 2HG2 VAL 65 -5.257 18.112 2.604 1367 3HG2 VAL 65 3HG2 VAL 65 -4.394 19.391 1.754 1368 H VAL 66 H VAL 66 -6.109 16.740 -2.138 1369 HA VAL 66 HA VAL 66 -7.119 14.124 -1.257 1370 HB VAL 66 HB VAL 66 -7.931 15.189 -3.940 1371 1HG1 VAL 66 1HG1 VAL 66 -9.558 13.390 -2.219 1372 2HG1 VAL 66 2HG1 VAL 66 -8.110 12.742 -2.989 1373 3HG1 VAL 66 3HG1 VAL 66 -9.396 13.436 -3.974 1374 1HG2 VAL 66 1HG2 VAL 66 -8.826 16.895 -2.582 1375 2HG2 VAL 66 2HG2 VAL 66 -9.262 15.762 -1.302 1376 3HG2 VAL 66 3HG2 VAL 66 -10.154 15.759 -2.824 1377 H THR 67 H THR 67 -5.337 12.881 -1.477 1378 HA THR 67 HA THR 67 -4.104 12.849 -4.160 1379 HB THR 67 HB THR 67 -2.480 13.920 -2.783 1380 HG1 THR 67 1HG THR 67 -0.879 12.656 -3.336 1381 1HG2 THR 67 1HG2 THR 67 -1.963 11.778 -0.912 1382 2HG2 THR 67 2HG2 THR 67 -3.549 12.514 -0.684 1383 3HG2 THR 67 3HG2 THR 67 -2.099 13.515 -0.640 1384 H CYS 68 H CYS 68 -3.075 10.865 -4.778 1385 HA CYS 68 HA CYS 68 -3.708 8.477 -3.266 1386 1HB CYS 68 2HB CYS 68 -5.774 8.739 -4.499 1387 2HB CYS 68 1HB CYS 68 -4.898 9.002 -5.996 1388 HG CYS 68 HG CYS 68 -4.246 6.473 -5.990 1389 H ILE 69 H ILE 69 -2.655 6.600 -4.080 1390 HA ILE 69 HA ILE 69 -0.546 7.090 -6.060 1391 HB ILE 69 HB ILE 69 -0.246 5.830 -3.339 1392 1HG1 ILE 69 2HG1 ILE 69 1.675 7.511 -3.256 1393 2HG1 ILE 69 1HG1 ILE 69 0.945 8.235 -4.686 1394 1HG2 ILE 69 1HG2 ILE 69 2.180 5.499 -4.053 1395 2HG2 ILE 69 2HG2 ILE 69 1.584 5.658 -5.706 1396 3HG2 ILE 69 3HG2 ILE 69 0.989 4.357 -4.674 1397 1HD1 ILE 69 1HD1 ILE 69 0.355 8.807 -2.048 1398 2HD1 ILE 69 2HD1 ILE 69 -1.001 7.820 -2.594 1399 3HD1 ILE 69 3HD1 ILE 69 -0.573 9.291 -3.467 1400 H ILE 70 H ILE 70 -0.715 5.663 -7.663 1401 HA ILE 70 HA ILE 70 -2.459 3.392 -7.438 1402 HB ILE 70 HB ILE 70 -1.898 2.979 -9.801 1403 1HG1 ILE 70 2HG1 ILE 70 -0.475 5.468 -10.269 1404 2HG1 ILE 70 1HG1 ILE 70 0.436 4.408 -9.199 1405 1HG2 ILE 70 1HG2 ILE 70 -2.859 5.618 -8.828 1406 2HG2 ILE 70 2HG2 ILE 70 -3.724 4.343 -9.687 1407 3HG2 ILE 70 3HG2 ILE 70 -2.617 5.402 -10.562 1408 1HD1 ILE 70 1HD1 ILE 70 -0.448 2.735 -11.216 1409 2HD1 ILE 70 2HD1 ILE 70 1.174 3.401 -11.024 1410 3HD1 ILE 70 3HD1 ILE 70 -0.005 4.228 -12.042 1411 H MET 71 H MET 71 -1.963 1.241 -7.608 1412 HA MET 71 HA MET 71 0.876 0.514 -7.320 1413 1HB MET 71 2HB MET 71 -1.367 -0.012 -5.554 1414 2HB MET 71 1HB MET 71 -0.614 -1.511 -6.081 1415 1HG MET 71 2HG MET 71 1.598 -0.364 -5.416 1416 2HG MET 71 1HG MET 71 0.565 0.741 -4.511 1417 1HE MET 71 1HE MET 71 1.413 -3.666 -3.613 1418 2HE MET 71 2HE MET 71 2.179 -2.646 -4.831 1419 3HE MET 71 3HE MET 71 0.552 -3.269 -5.100 1420 H GLN 72 H GLN 72 1.135 -0.014 -9.476 1421 HA GLN 72 HA GLN 72 -0.604 -1.440 -11.095 1422 1HB GLN 72 2HB GLN 72 1.817 -0.290 -11.458 1423 2HB GLN 72 1HB GLN 72 2.273 -1.988 -11.496 1424 1HG GLN 72 2HG GLN 72 0.971 -2.423 -13.374 1425 2HG GLN 72 1HG GLN 72 0.015 -0.956 -13.165 1426 1HE2 GLN 72 1HE2 GLN 72 0.425 0.500 -14.651 1427 2HE2 GLN 72 2HE2 GLN 72 1.957 0.811 -15.386 1428 H LYS 73 H LYS 73 -0.646 -3.618 -11.797 1429 HA LYS 73 HA LYS 73 -0.634 -5.525 -9.752 1430 1HB LYS 73 2HB LYS 73 -1.960 -5.649 -11.867 1431 2HB LYS 73 1HB LYS 73 -0.480 -6.059 -12.722 1432 1HG LYS 73 2HG LYS 73 -1.045 -7.748 -10.394 1433 2HG LYS 73 1HG LYS 73 -2.237 -7.854 -11.691 1434 1HD LYS 73 2HD LYS 73 -0.853 -9.284 -12.698 1435 2HD LYS 73 1HD LYS 73 0.209 -7.912 -13.009 1436 1HE LYS 73 2HE LYS 73 1.059 -8.413 -10.582 1437 2HE LYS 73 1HE LYS 73 0.377 -10.008 -10.891 1438 1HZ LYS 73 1HZ LYS 73 1.743 -9.839 -13.063 1439 2HZ LYS 73 2HZ LYS 73 2.529 -10.242 -11.621 1440 3HZ LYS 73 3HZ LYS 73 2.629 -8.665 -12.225 1441 H ASN 74 H ASN 74 1.409 -5.441 -8.747 1442 HA ASN 74 HA ASN 74 3.264 -7.352 -9.697 1443 1HB ASN 74 2HB ASN 74 5.208 -5.912 -10.054 1444 2HB ASN 74 1HB ASN 74 3.926 -5.513 -11.191 1445 1HD2 ASN 74 1HD2 ASN 74 5.982 -4.377 -8.748 1446 2HD2 ASN 74 2HD2 ASN 74 5.366 -2.766 -8.647 1447 H GLY 75 H GLY 75 3.727 -8.324 -7.849 1448 1HA GLY 75 2HA GLY 75 3.454 -7.128 -5.310 1449 2HA GLY 75 1HA GLY 75 4.230 -8.670 -5.637 1450 H ALA 76 H ALA 76 4.684 -5.286 -5.088 1451 HA ALA 76 HA ALA 76 7.555 -5.767 -4.725 1452 1HB ALA 76 1HB ALA 76 8.252 -4.064 -6.067 1453 2HB ALA 76 2HB ALA 76 6.762 -3.141 -5.858 1454 3HB ALA 76 3HB ALA 76 6.794 -4.531 -6.942 1455 H GLY 77 H GLY 77 8.467 -4.714 -3.002 1456 1HA GLY 77 2HA GLY 77 6.756 -3.823 -0.939 1457 2HA GLY 77 1HA GLY 77 8.507 -3.682 -0.949 1458 H LEU 78 H LEU 78 5.587 -2.018 -1.098 1459 HA LEU 78 HA LEU 78 6.927 0.422 -2.062 1460 1HB LEU 78 2HB LEU 78 5.049 -0.213 -3.461 1461 2HB LEU 78 1HB LEU 78 4.000 -0.312 -2.060 1462 HG LEU 78 HG LEU 78 4.552 2.200 -1.745 1463 1HD1 LEU 78 1HD1 LEU 78 4.966 2.151 -4.699 1464 2HD1 LEU 78 2HD1 LEU 78 6.343 1.953 -3.616 1465 3HD1 LEU 78 3HD1 LEU 78 5.357 3.412 -3.530 1466 1HD2 LEU 78 1HD2 LEU 78 2.356 1.859 -2.231 1467 2HD2 LEU 78 2HD2 LEU 78 2.707 0.894 -3.665 1468 3HD2 LEU 78 3HD2 LEU 78 2.848 2.650 -3.729 1469 H HIS 79 H HIS 79 7.675 1.445 -0.300 1470 HA HIS 79 HA HIS 79 5.788 1.886 1.922 1471 1HB HIS 79 2HB HIS 79 8.698 1.225 1.924 1472 2HB HIS 79 1HB HIS 79 8.081 2.277 3.193 1473 HD1 HIS 79 1HD HIS 79 7.727 -1.224 1.852 1474 HD2 HIS 79 2HD HIS 79 6.639 1.013 5.180 1475 HE1 HIS 79 1HE HIS 79 6.826 -2.883 3.513 1476 HE2 HIS 79 2HE HIS 79 6.242 -1.516 5.547 1477 H THR 80 H THR 80 5.503 3.927 2.652 1478 HA THR 80 HA THR 80 6.918 6.060 1.194 1479 HB THR 80 HB THR 80 4.233 6.262 2.567 1480 HG1 THR 80 1HG THR 80 3.350 5.500 0.832 1481 1HG2 THR 80 1HG2 THR 80 4.574 8.436 2.225 1482 2HG2 THR 80 2HG2 THR 80 4.254 8.066 0.531 1483 3HG2 THR 80 3HG2 THR 80 5.915 8.151 1.116 1484 H ALA 81 H ALA 81 7.484 7.989 2.346 1485 HA ALA 81 HA ALA 81 7.600 7.659 5.279 1486 1HB ALA 81 1HB ALA 81 9.868 8.878 3.732 1487 2HB ALA 81 2HB ALA 81 9.794 7.146 4.059 1488 3HB ALA 81 3HB ALA 81 9.853 8.293 5.396 1489 H ALA 82 H ALA 82 7.239 9.523 6.465 1490 HA ALA 82 HA ALA 82 7.293 12.082 5.165 1491 1HB ALA 82 1HB ALA 82 5.038 12.603 5.129 1492 2HB ALA 82 2HB ALA 82 4.613 11.237 6.163 1493 3HB ALA 82 3HB ALA 82 5.117 10.959 4.495 1494 H SER 83 H SER 83 8.062 13.432 6.531 1495 HA SER 83 HA SER 83 7.266 13.275 9.360 1496 1HB SER 83 2HB SER 83 9.716 12.683 8.795 1497 2HB SER 83 1HB SER 83 9.907 14.393 8.410 1498 HG SER 83 HG SER 83 10.150 14.688 10.465 1499 H CYS 84 H CYS 84 6.002 14.969 9.820 1500 HA CYS 84 HA CYS 84 6.313 17.407 8.218 1501 1HB CYS 84 2HB CYS 84 3.947 16.725 9.916 1502 2HB CYS 84 1HB CYS 84 4.040 17.896 8.614 1503 HG CYS 84 HG CYS 84 2.838 15.513 8.012 1504 H TRP 85 H TRP 85 6.095 19.454 9.189 1505 HA TRP 85 HA TRP 85 7.482 19.666 11.694 1506 1HB TRP 85 2HB TRP 85 7.263 21.266 9.488 1507 2HB TRP 85 1HB TRP 85 6.176 22.081 10.605 1508 HD1 TRP 85 HD TRP 85 9.743 20.574 10.934 1509 HE1 TRP 85 1HE TRP 85 11.201 22.278 12.185 1510 HE3 TRP 85 3HE TRP 85 6.253 24.232 11.683 1511 HZ2 TRP 85 2HZ TRP 85 10.914 24.837 13.348 1512 HZ3 TRP 85 3HZ TRP 85 6.926 26.277 12.876 1513 HH2 TRP 85 HH TRP 85 9.209 26.571 13.691 1514 H TRP 86 H TRP 86 6.074 22.010 12.730 1515 HA TRP 86 HA TRP 86 3.970 20.592 14.138 1516 1HB TRP 86 2HB TRP 86 5.439 23.164 14.531 1517 2HB TRP 86 1HB TRP 86 3.860 22.978 15.286 1518 HD1 TRP 86 HD TRP 86 6.060 19.892 15.066 1519 HE1 TRP 86 1HE TRP 86 6.891 19.281 17.424 1520 HE3 TRP 86 3HE TRP 86 4.489 24.055 17.584 1521 HZ2 TRP 86 2HZ TRP 86 6.881 20.415 20.009 1522 HZ3 TRP 86 3HZ TRP 86 4.939 24.214 19.998 1523 HH2 TRP 86 HH TRP 86 6.111 22.430 21.184 1524 H ASP 87 H ASP 87 1.824 20.949 13.963 1525 HA ASP 87 HA ASP 87 0.545 23.222 12.993 1526 1HB ASP 87 2HB ASP 87 1.792 22.094 10.877 1527 2HB ASP 87 1HB ASP 87 0.271 21.208 10.833 1528 H SER 88 H SER 88 -1.044 22.860 14.450 1529 HA SER 88 HA SER 88 -2.276 20.266 14.730 1530 1HB SER 88 2HB SER 88 -2.075 21.477 16.754 1531 2HB SER 88 1HB SER 88 -2.741 22.943 16.036 1532 HG SER 88 HG SER 88 -4.068 21.221 17.395 1533 H THR 89 H THR 89 -2.916 23.203 12.995 1534 HA THR 89 HA THR 89 -5.699 22.856 12.618 1535 HB THR 89 HB THR 89 -4.621 25.015 12.280 1536 HG1 THR 89 1HG THR 89 -6.120 25.422 10.895 1537 1HG2 THR 89 1HG2 THR 89 -2.498 24.185 11.305 1538 2HG2 THR 89 2HG2 THR 89 -3.226 25.523 10.417 1539 3HG2 THR 89 3HG2 THR 89 -3.365 23.876 9.800 1540 H THR 90 H THR 90 -2.896 21.988 10.607 1541 HA THR 90 HA THR 90 -4.528 20.798 8.577 1542 HB THR 90 HB THR 90 -2.291 19.985 7.707 1543 HG1 THR 90 1HG THR 90 -0.987 19.907 9.427 1544 1HG2 THR 90 1HG2 THR 90 -2.932 22.851 8.142 1545 2HG2 THR 90 2HG2 THR 90 -2.833 21.925 6.643 1546 3HG2 THR 90 3HG2 THR 90 -1.358 22.420 7.474 1547 H ASP 91 H ASP 91 -5.606 19.511 10.431 1548 HA ASP 91 HA ASP 91 -4.195 16.946 10.748 1549 1HB ASP 91 2HB ASP 91 -4.647 18.135 12.880 1550 2HB ASP 91 1HB ASP 91 -6.369 18.085 12.515 1551 H GLY 92 H GLY 92 -4.904 15.749 9.077 1552 1HA GLY 92 2HA GLY 92 -7.646 14.861 9.132 1553 2HA GLY 92 1HA GLY 92 -7.260 15.816 7.717 1554 H SER 93 H SER 93 -4.499 14.746 7.584 1555 HA SER 93 HA SER 93 -4.428 13.015 5.647 1556 1HB SER 93 2HB SER 93 -2.317 12.195 6.378 1557 2HB SER 93 1HB SER 93 -2.470 13.836 7.007 1558 HG SER 93 HG SER 93 -3.120 12.901 9.008 1559 H ARG 94 H ARG 94 -6.075 11.571 5.365 1560 HA ARG 94 HA ARG 94 -5.939 9.147 7.032 1561 1HB ARG 94 2HB ARG 94 -8.312 10.784 6.289 1562 2HB ARG 94 1HB ARG 94 -8.504 9.037 6.277 1563 1HG ARG 94 2HG ARG 94 -8.547 8.912 8.501 1564 2HG ARG 94 1HG ARG 94 -7.178 10.011 8.677 1565 1HD ARG 94 2HD ARG 94 -9.150 11.703 7.849 1566 2HD ARG 94 1HD ARG 94 -10.058 10.542 8.815 1567 HE ARG 94 HE ARG 94 -7.932 11.176 10.384 1568 1HH1 ARG 94 1HH1 ARG 94 -10.395 13.066 8.771 1569 2HH1 ARG 94 2HH1 ARG 94 -10.368 14.330 9.954 1570 1HH2 ARG 94 1HH2 ARG 94 -7.904 12.841 11.932 1571 2HH2 ARG 94 2HH2 ARG 94 -8.956 14.204 11.744 1572 H THR 95 H THR 95 -5.027 7.670 5.715 1573 HA THR 95 HA THR 95 -5.626 7.764 2.878 1574 HB THR 95 HB THR 95 -3.266 7.522 3.923 1575 HG1 THR 95 1HG THR 95 -4.268 6.093 1.713 1576 1HG2 THR 95 1HG2 THR 95 -4.057 4.625 3.817 1577 2HG2 THR 95 2HG2 THR 95 -3.695 5.537 5.283 1578 3HG2 THR 95 3HG2 THR 95 -2.434 5.265 4.079 1579 H VAL 96 H VAL 96 -6.331 6.024 1.645 1580 HA VAL 96 HA VAL 96 -7.480 3.747 3.094 1581 HB VAL 96 HB VAL 96 -8.974 5.590 1.227 1582 1HG1 VAL 96 1HG1 VAL 96 -10.820 4.021 1.142 1583 2HG1 VAL 96 2HG1 VAL 96 -9.918 2.863 2.117 1584 3HG1 VAL 96 3HG1 VAL 96 -9.374 3.254 0.487 1585 1HG2 VAL 96 1HG2 VAL 96 -8.843 5.737 3.846 1586 2HG2 VAL 96 2HG2 VAL 96 -10.100 4.504 3.735 1587 3HG2 VAL 96 3HG2 VAL 96 -10.335 6.075 2.968 1588 H ARG 97 H ARG 97 -7.102 1.855 2.082 1589 HA ARG 97 HA ARG 97 -5.830 1.981 -0.556 1590 1HB ARG 97 2HB ARG 97 -4.540 0.912 1.238 1591 2HB ARG 97 1HB ARG 97 -5.843 -0.240 1.491 1592 1HG ARG 97 2HG ARG 97 -4.743 -1.573 0.095 1593 2HG ARG 97 1HG ARG 97 -5.313 -0.507 -1.191 1594 1HD ARG 97 2HD ARG 97 -2.920 -0.837 -1.379 1595 2HD ARG 97 1HD ARG 97 -3.269 0.839 -0.957 1596 HE ARG 97 HE ARG 97 -2.849 -0.448 1.433 1597 1HH1 ARG 97 1HH1 ARG 97 -0.987 0.087 -1.480 1598 2HH1 ARG 97 2HH1 ARG 97 0.535 0.058 -0.656 1599 1HH2 ARG 97 1HH2 ARG 97 -0.846 -0.484 2.508 1600 2HH2 ARG 97 2HH2 ARG 97 0.616 -0.266 1.604 1601 H TRP 98 H TRP 98 -7.011 1.493 -2.262 1602 HA TRP 98 HA TRP 98 -9.435 -0.123 -1.932 1603 1HB TRP 98 2HB TRP 98 -8.457 1.766 -4.060 1604 2HB TRP 98 1HB TRP 98 -9.708 0.593 -4.426 1605 HD1 TRP 98 HD TRP 98 -12.138 1.211 -3.791 1606 HE1 TRP 98 1HE TRP 98 -13.240 3.223 -2.617 1607 HE3 TRP 98 3HE TRP 98 -7.918 3.509 -2.071 1608 HZ2 TRP 98 2HZ TRP 98 -12.377 5.496 -1.120 1609 HZ3 TRP 98 3HZ TRP 98 -8.147 5.591 -0.783 1610 HH2 TRP 98 HH TRP 98 -10.329 6.557 -0.322 1611 H GLU 99 H GLU 99 -9.823 -1.970 -3.182 1612 HA GLU 99 HA GLU 99 -7.677 -2.971 -4.876 1613 1HB GLU 99 2HB GLU 99 -8.401 -4.074 -2.224 1614 2HB GLU 99 1HB GLU 99 -8.142 -5.244 -3.510 1615 1HG GLU 99 2HG GLU 99 -5.959 -5.086 -3.219 1616 2HG GLU 99 1HG GLU 99 -6.025 -3.373 -3.628 1617 H ASN 100 H ASN 100 -8.377 -4.265 -6.503 1618 HA ASN 100 HA ASN 100 -11.263 -4.846 -6.567 1619 1HB ASN 100 2HB ASN 100 -10.814 -4.955 -9.127 1620 2HB ASN 100 1HB ASN 100 -10.930 -3.383 -8.347 1621 1HD2 ASN 100 1HD2 ASN 100 -9.066 -2.151 -8.060 1622 2HD2 ASN 100 2HD2 ASN 100 -7.618 -2.466 -8.948 1623 H LYS 101 H LYS 101 -8.221 -6.087 -7.984 1624 HA LYS 101 HA LYS 101 -8.830 -8.736 -7.063 1625 1HB LYS 101 2HB LYS 101 -8.642 -9.677 -9.449 1626 2HB LYS 101 1HB LYS 101 -10.176 -8.987 -8.944 1627 1HG LYS 101 2HG LYS 101 -9.989 -8.023 -10.986 1628 2HG LYS 101 1HG LYS 101 -9.140 -6.808 -10.031 1629 1HD LYS 101 2HD LYS 101 -7.113 -8.497 -10.609 1630 2HD LYS 101 1HD LYS 101 -8.112 -8.698 -12.040 1631 1HE LYS 101 2HE LYS 101 -8.169 -6.030 -11.837 1632 2HE LYS 101 1HE LYS 101 -6.603 -6.340 -11.097 1633 1HZ LYS 101 1HZ LYS 101 -6.565 -5.963 -13.549 1634 2HZ LYS 101 2HZ LYS 101 -7.388 -7.428 -13.740 1635 3HZ LYS 101 3HZ LYS 101 -5.844 -7.410 -13.050 1636 H SER 102 H SER 102 -6.781 -6.737 -9.160 1637 HA SER 102 HA SER 102 -4.478 -8.254 -8.151 1638 1HB SER 102 2HB SER 102 -3.476 -8.457 -10.248 1639 2HB SER 102 1HB SER 102 -5.171 -8.775 -10.597 1640 HG SER 102 HG SER 102 -3.685 -6.419 -11.081 1641 H MET 103 H MET 103 -5.504 -5.281 -9.796 1642 HA MET 103 HA MET 103 -3.124 -3.873 -8.961 1643 1HB MET 103 2HB MET 103 -4.405 -3.512 -11.147 1644 2HB MET 103 1HB MET 103 -5.588 -2.641 -10.180 1645 1HG MET 103 2HG MET 103 -3.869 -1.069 -9.472 1646 2HG MET 103 1HG MET 103 -2.669 -1.949 -10.416 1647 1HE MET 103 1HE MET 103 -2.077 -1.698 -12.462 1648 2HE MET 103 2HE MET 103 -2.608 -0.488 -13.630 1649 3HE MET 103 3HE MET 103 -3.382 -2.072 -13.588 1650 H TYR 104 H TYR 104 -3.029 -2.145 -7.520 1651 HA TYR 104 HA TYR 104 -5.344 -1.876 -5.712 1652 1HB TYR 104 2HB TYR 104 -2.478 -1.609 -4.816 1653 2HB TYR 104 1HB TYR 104 -3.916 -1.788 -3.819 1654 HD1 TYR 104 1HD TYR 104 -1.185 -3.429 -4.070 1655 HD2 TYR 104 2HD TYR 104 -5.204 -4.081 -5.308 1656 HE1 TYR 104 1HE TYR 104 -0.813 -5.858 -3.983 1657 HE2 TYR 104 2HE TYR 104 -4.842 -6.511 -5.224 1658 HH TYR 104 HH TYR 104 -2.826 -8.080 -5.399 1659 H CYS 105 H CYS 105 -5.594 0.188 -4.683 1660 HA CYS 105 HA CYS 105 -3.999 2.388 -5.752 1661 1HB CYS 105 2HB CYS 105 -7.000 2.190 -6.067 1662 2HB CYS 105 1HB CYS 105 -6.070 3.658 -6.342 1663 HG CYS 105 HG CYS 105 -4.845 2.272 -8.303 1664 H ILE 106 H ILE 106 -3.326 3.411 -3.987 1665 HA ILE 106 HA ILE 106 -5.057 3.510 -1.630 1666 HB ILE 106 HB ILE 106 -2.851 2.786 -1.109 1667 1HG1 ILE 106 2HG1 ILE 106 -2.496 5.626 -0.293 1668 2HG1 ILE 106 1HG1 ILE 106 -3.978 4.825 0.218 1669 1HG2 ILE 106 1HG2 ILE 106 -0.986 4.647 -1.616 1670 2HG2 ILE 106 2HG2 ILE 106 -2.052 4.897 -2.996 1671 3HG2 ILE 106 3HG2 ILE 106 -1.354 3.307 -2.700 1672 1HD1 ILE 106 1HD1 ILE 106 -1.431 3.393 0.658 1673 2HD1 ILE 106 2HD1 ILE 106 -2.896 3.437 1.639 1674 3HD1 ILE 106 3HD1 ILE 106 -1.773 4.796 1.670 1675 H CYS 107 H CYS 107 -6.389 5.177 -1.492 1676 HA CYS 107 HA CYS 107 -5.482 7.801 -2.483 1677 1HB CYS 107 2HB CYS 107 -8.380 7.354 -1.986 1678 2HB CYS 107 1HB CYS 107 -7.593 8.343 -3.202 1679 HG CYS 107 HG CYS 107 -7.501 5.299 -3.667 1680 H THR 108 H THR 108 -5.047 9.246 -0.970 1681 HA THR 108 HA THR 108 -6.291 8.912 1.666 1682 HB THR 108 HB THR 108 -3.752 8.687 1.448 1683 HG1 THR 108 1HG THR 108 -4.689 10.690 3.214 1684 1HG2 THR 108 1HG2 THR 108 -2.489 10.811 1.606 1685 2HG2 THR 108 2HG2 THR 108 -3.951 11.677 1.131 1686 3HG2 THR 108 3HG2 THR 108 -3.203 10.533 0.018 1687 H VAL 109 H VAL 109 -7.464 10.469 2.533 1688 HA VAL 109 HA VAL 109 -7.659 13.009 1.057 1689 HB VAL 109 HB VAL 109 -9.731 12.545 3.094 1690 1HG1 VAL 109 1HG1 VAL 109 -9.359 14.050 0.747 1691 2HG1 VAL 109 2HG1 VAL 109 -10.753 14.047 1.826 1692 3HG1 VAL 109 3HG1 VAL 109 -10.714 12.966 0.434 1693 1HG2 VAL 109 1HG2 VAL 109 -9.413 10.604 0.841 1694 2HG2 VAL 109 2HG2 VAL 109 -11.016 11.039 1.432 1695 3HG2 VAL 109 3HG2 VAL 109 -9.842 10.306 2.525 1696 H PHE 110 H PHE 110 -6.855 14.749 2.011 1697 HA PHE 110 HA PHE 110 -6.126 14.551 4.841 1698 1HB PHE 110 2HB PHE 110 -5.042 15.991 2.482 1699 2HB PHE 110 1HB PHE 110 -4.881 16.785 4.039 1700 HD1 PHE 110 1HD PHE 110 -4.505 13.287 2.791 1701 HD2 PHE 110 2HD PHE 110 -2.805 16.531 4.956 1702 HE1 PHE 110 1HE PHE 110 -2.512 11.923 3.261 1703 HE2 PHE 110 2HE PHE 110 -0.809 15.173 5.431 1704 HZ PHE 110 HZ PHE 110 -0.660 12.865 4.584 1705 H GLY 111 H GLY 111 -7.887 15.165 5.968 1706 1HA GLY 111 2HA GLY 111 -9.425 17.512 5.187 1707 2HA GLY 111 1HA GLY 111 -9.774 16.442 6.540 1708 H LEU 112 H LEU 112 -7.914 19.191 5.451 1709 HA LEU 112 HA LEU 112 -6.743 19.571 8.089 1710 1HB LEU 112 2HB LEU 112 -6.461 21.062 5.479 1711 2HB LEU 112 1HB LEU 112 -5.676 21.565 6.959 1712 HG LEU 112 HG LEU 112 -4.099 19.889 6.859 1713 1HD1 LEU 112 1HD1 LEU 112 -4.305 17.752 5.816 1714 2HD1 LEU 112 2HD1 LEU 112 -5.826 18.216 5.057 1715 3HD1 LEU 112 3HD1 LEU 112 -5.739 18.020 6.806 1716 1HD2 LEU 112 1HD2 LEU 112 -3.706 21.233 4.947 1717 2HD2 LEU 112 2HD2 LEU 112 -4.922 20.359 4.014 1718 3HD2 LEU 112 3HD2 LEU 112 -3.426 19.554 4.486 1719 H ALA 113 H ALA 113 -7.426 21.002 9.568 1720 HA ALA 113 HA ALA 113 -9.986 22.166 9.373 1721 1HB ALA 113 1HB ALA 113 -8.513 21.498 11.450 1722 2HB ALA 113 2HB ALA 113 -9.724 22.776 11.564 1723 3HB ALA 113 3HB ALA 113 -8.022 23.189 11.361 1724 H ILE 114 H ILE 114 -9.778 23.376 7.376 1725 HA ILE 114 HA ILE 114 -9.586 25.306 6.187 1726 HB ILE 114 HB ILE 114 -9.080 26.674 8.826 1727 1HG1 ILE 114 2HG1 ILE 114 -11.759 26.110 7.540 1728 2HG1 ILE 114 1HG1 ILE 114 -11.093 25.174 8.875 1729 1HG2 ILE 114 1HG2 ILE 114 -9.892 27.555 6.099 1730 2HG2 ILE 114 2HG2 ILE 114 -8.751 28.286 7.227 1731 3HG2 ILE 114 3HG2 ILE 114 -10.486 28.446 7.501 1732 1HD1 ILE 114 1HD1 ILE 114 -12.781 27.036 9.386 1733 2HD1 ILE 114 2HD1 ILE 114 -11.431 28.135 9.102 1734 3HD1 ILE 114 3HD1 ILE 114 -11.327 26.921 10.378 Start of MODEL 8 1 1H MET 1 1HT MET 1 33.218 6.811 -10.779 2 HA MET 1 HA MET 1 33.312 4.403 -9.145 3 1HB MET 1 2HB MET 1 31.340 6.586 -9.769 4 2HB MET 1 1HB MET 1 30.788 5.008 -9.223 5 1HG MET 1 2HG MET 1 30.904 6.105 -7.235 6 2HG MET 1 1HG MET 1 32.526 5.419 -7.303 7 1HE MET 1 1HE MET 1 31.815 8.882 -5.646 8 2HE MET 1 2HE MET 1 33.447 8.236 -5.466 9 3HE MET 1 3HE MET 1 32.055 7.156 -5.379 10 H GLU 2 H GLU 2 32.029 5.900 -12.108 11 HA GLU 2 HA GLU 2 31.342 5.021 -14.088 12 1HB GLU 2 2HB GLU 2 33.650 3.868 -13.741 13 2HB GLU 2 1HB GLU 2 32.694 2.430 -13.405 14 1HG GLU 2 2HG GLU 2 31.794 3.732 -15.815 15 2HG GLU 2 1HG GLU 2 33.518 3.372 -15.890 16 H GLY 3 H GLY 3 29.268 4.556 -14.361 17 1HA GLY 3 2HA GLY 3 27.570 2.855 -14.573 18 2HA GLY 3 1HA GLY 3 28.210 2.100 -13.122 19 H VAL 4 H VAL 4 28.121 3.593 -11.131 20 HA VAL 4 HA VAL 4 25.438 4.147 -10.561 21 HB VAL 4 HB VAL 4 27.809 5.314 -9.102 22 1HG1 VAL 4 1HG1 VAL 4 25.357 6.027 -8.643 23 2HG1 VAL 4 2HG1 VAL 4 26.408 5.622 -7.286 24 3HG1 VAL 4 3HG1 VAL 4 25.227 4.448 -7.867 25 1HG2 VAL 4 1HG2 VAL 4 28.382 3.096 -9.037 26 2HG2 VAL 4 2HG2 VAL 4 26.711 2.546 -9.165 27 3HG2 VAL 4 3HG2 VAL 4 27.314 3.187 -7.636 28 H ASP 5 H ASP 5 24.179 5.865 -10.909 29 HA ASP 5 HA ASP 5 25.464 8.367 -11.788 30 1HB ASP 5 2HB ASP 5 24.046 7.048 -13.466 31 2HB ASP 5 1HB ASP 5 22.658 7.534 -12.498 32 HA PRO 6 HA PRO 6 23.529 9.639 -7.858 33 1HB PRO 6 2HB PRO 6 24.722 12.092 -7.772 34 2HB PRO 6 1HB PRO 6 25.499 10.606 -7.212 35 1HG PRO 6 2HG PRO 6 25.810 12.041 -9.821 36 2HG PRO 6 1HG PRO 6 27.054 11.309 -8.791 37 1HD PRO 6 2HD PRO 6 26.126 10.073 -10.993 38 2HD PRO 6 1HD PRO 6 26.594 9.169 -9.538 39 H ALA 7 H ALA 7 21.476 10.213 -7.978 40 HA ALA 7 HA ALA 7 19.586 11.434 -8.327 41 1HB ALA 7 1HB ALA 7 20.229 13.846 -9.443 42 2HB ALA 7 2HB ALA 7 21.713 13.422 -8.589 43 3HB ALA 7 3HB ALA 7 20.185 13.500 -7.714 44 H VAL 8 H VAL 8 21.692 12.466 -10.990 45 HA VAL 8 HA VAL 8 21.540 12.298 -13.253 46 HB VAL 8 HB VAL 8 19.263 10.462 -13.504 47 1HG1 VAL 8 1HG1 VAL 8 21.238 9.192 -14.695 48 2HG1 VAL 8 2HG1 VAL 8 22.003 10.778 -14.582 49 3HG1 VAL 8 3HG1 VAL 8 20.460 10.600 -15.418 50 1HG2 VAL 8 1HG2 VAL 8 21.393 9.774 -11.595 51 2HG2 VAL 8 2HG2 VAL 8 20.977 8.544 -12.791 52 3HG2 VAL 8 3HG2 VAL 8 19.734 9.197 -11.729 53 H GLU 9 H GLU 9 18.240 11.721 -12.095 54 HA GLU 9 HA GLU 9 17.284 13.805 -13.910 55 1HB GLU 9 2HB GLU 9 15.456 11.988 -12.397 56 2HB GLU 9 1HB GLU 9 15.265 12.693 -13.985 57 1HG GLU 9 2HG GLU 9 17.084 11.150 -14.779 58 2HG GLU 9 1HG GLU 9 16.948 10.338 -13.220 59 H GLU 10 H GLU 10 18.092 15.475 -12.424 60 HA GLU 10 HA GLU 10 17.141 15.791 -9.801 61 1HB GLU 10 2HB GLU 10 19.063 17.031 -10.794 62 2HB GLU 10 1HB GLU 10 17.921 17.972 -11.743 63 1HG GLU 10 2HG GLU 10 17.235 18.008 -8.939 64 2HG GLU 10 1HG GLU 10 18.888 18.561 -9.208 65 H ALA 11 H ALA 11 15.142 16.142 -9.108 66 HA ALA 11 HA ALA 11 13.143 17.166 -10.979 67 1HB ALA 11 1HB ALA 11 12.919 15.049 -9.452 68 2HB ALA 11 2HB ALA 11 11.534 16.101 -9.739 69 3HB ALA 11 3HB ALA 11 12.446 16.234 -8.236 70 H ALA 12 H ALA 12 11.842 18.935 -10.547 71 HA ALA 12 HA ALA 12 11.318 21.016 -9.794 72 1HB ALA 12 1HB ALA 12 11.236 21.405 -7.464 73 2HB ALA 12 2HB ALA 12 12.505 20.222 -7.148 74 3HB ALA 12 3HB ALA 12 10.914 19.685 -7.686 75 H PHE 13 H PHE 13 12.221 23.077 -9.521 76 HA PHE 13 HA PHE 13 15.117 23.238 -9.149 77 1HB PHE 13 2HB PHE 13 14.253 23.132 -11.664 78 2HB PHE 13 1HB PHE 13 13.964 24.846 -11.379 79 HD1 PHE 13 1HD PHE 13 16.674 22.387 -10.623 80 HD2 PHE 13 2HD PHE 13 15.622 26.226 -12.129 81 HE1 PHE 13 1HE PHE 13 19.047 22.856 -11.075 82 HE2 PHE 13 2HE PHE 13 17.992 26.702 -12.584 83 HZ PHE 13 HZ PHE 13 19.709 25.016 -12.057 84 H VAL 14 H VAL 14 12.714 24.035 -7.593 85 HA VAL 14 HA VAL 14 13.308 26.916 -7.404 86 HB VAL 14 HB VAL 14 10.646 25.655 -6.746 87 1HG1 VAL 14 1HG1 VAL 14 11.594 28.509 -6.906 88 2HG1 VAL 14 2HG1 VAL 14 11.000 27.649 -5.486 89 3HG1 VAL 14 3HG1 VAL 14 9.897 28.043 -6.803 90 1HG2 VAL 14 1HG2 VAL 14 11.043 25.488 -9.139 91 2HG2 VAL 14 2HG2 VAL 14 11.461 27.200 -9.205 92 3HG2 VAL 14 3HG2 VAL 14 9.815 26.710 -8.803 93 H ALA 15 H ALA 15 13.240 27.830 -5.291 94 HA ALA 15 HA ALA 15 13.731 27.883 -3.070 95 1HB ALA 15 1HB ALA 15 11.449 26.585 -3.179 96 2HB ALA 15 2HB ALA 15 12.348 26.709 -1.667 97 3HB ALA 15 3HB ALA 15 12.440 25.234 -2.630 98 H ASP 16 H ASP 16 15.906 27.310 -4.251 99 HA ASP 16 HA ASP 16 17.087 24.801 -4.007 100 1HB ASP 16 2HB ASP 16 18.536 27.439 -3.752 101 2HB ASP 16 1HB ASP 16 19.198 25.907 -4.314 102 H ASP 17 H ASP 17 16.533 27.267 -1.611 103 HA ASP 17 HA ASP 17 18.416 26.597 0.319 104 1HB ASP 17 2HB ASP 17 15.666 27.785 0.448 105 2HB ASP 17 1HB ASP 17 16.520 27.391 1.937 106 H VAL 18 H VAL 18 15.105 25.343 -0.057 107 HA VAL 18 HA VAL 18 15.501 23.368 2.011 108 HB VAL 18 HB VAL 18 13.225 23.528 0.033 109 1HG1 VAL 18 1HG1 VAL 18 13.750 22.005 2.535 110 2HG1 VAL 18 2HG1 VAL 18 12.954 21.494 1.046 111 3HG1 VAL 18 3HG1 VAL 18 12.098 22.523 2.195 112 1HG2 VAL 18 1HG2 VAL 18 12.018 24.797 1.757 113 2HG2 VAL 18 2HG2 VAL 18 13.436 25.664 1.170 114 3HG2 VAL 18 3HG2 VAL 18 13.486 24.849 2.733 115 H SER 19 H SER 19 15.636 23.528 -1.474 116 HA SER 19 HA SER 19 15.455 20.834 -2.129 117 1HB SER 19 2HB SER 19 15.736 23.054 -3.587 118 2HB SER 19 1HB SER 19 17.410 22.501 -3.631 119 HG SER 19 HG SER 19 16.838 20.789 -4.777 120 H ASN 20 H ASN 20 18.279 22.717 -1.107 121 HA ASN 20 HA ASN 20 20.131 20.593 -1.498 122 1HB ASN 20 2HB ASN 20 21.711 21.978 -0.263 123 2HB ASN 20 1HB ASN 20 20.825 22.956 -1.427 124 1HD2 ASN 20 1HD2 ASN 20 19.959 24.765 -0.724 125 2HD2 ASN 20 2HD2 ASN 20 19.665 25.173 0.929 126 H ILE 21 H ILE 21 18.292 21.737 1.296 127 HA ILE 21 HA ILE 21 19.493 20.227 3.303 128 HB ILE 21 HB ILE 21 16.576 21.006 3.048 129 1HG1 ILE 21 2HG1 ILE 21 18.861 22.382 4.470 130 2HG1 ILE 21 1HG1 ILE 21 18.155 22.899 2.943 131 1HG2 ILE 21 1HG2 ILE 21 16.472 20.791 5.481 132 2HG2 ILE 21 2HG2 ILE 21 18.136 20.206 5.504 133 3HG2 ILE 21 3HG2 ILE 21 16.877 19.251 4.720 134 1HD1 ILE 21 1HD1 ILE 21 16.788 22.811 5.619 135 2HD1 ILE 21 2HD1 ILE 21 16.002 23.231 4.097 136 3HD1 ILE 21 3HD1 ILE 21 17.297 24.248 4.731 137 H ILE 22 H ILE 22 16.608 19.355 1.364 138 HA ILE 22 HA ILE 22 16.273 16.820 2.491 139 HB ILE 22 HB ILE 22 14.529 17.925 1.169 140 1HG1 ILE 22 2HG1 ILE 22 13.922 15.871 -0.255 141 2HG1 ILE 22 1HG1 ILE 22 15.427 15.174 0.337 142 1HG2 ILE 22 1HG2 ILE 22 16.028 18.812 -0.594 143 2HG2 ILE 22 2HG2 ILE 22 14.585 18.018 -1.223 144 3HG2 ILE 22 3HG2 ILE 22 16.139 17.186 -1.265 145 1HD1 ILE 22 1HD1 ILE 22 14.605 15.480 2.648 146 2HD1 ILE 22 2HD1 ILE 22 13.607 14.392 1.681 147 3HD1 ILE 22 3HD1 ILE 22 13.070 16.044 1.987 148 H LYS 23 H LYS 23 17.984 17.723 -0.530 149 HA LYS 23 HA LYS 23 18.738 15.109 -1.162 150 1HB LYS 23 2HB LYS 23 19.719 17.812 -1.972 151 2HB LYS 23 1HB LYS 23 20.638 16.386 -2.433 152 1HG LYS 23 2HG LYS 23 18.775 15.495 -3.634 153 2HG LYS 23 1HG LYS 23 17.720 16.778 -3.037 154 1HD LYS 23 2HD LYS 23 18.422 18.230 -4.591 155 2HD LYS 23 1HD LYS 23 20.115 17.794 -4.363 156 1HE LYS 23 2HE LYS 23 20.109 16.426 -6.128 157 2HE LYS 23 1HE LYS 23 18.570 15.700 -5.671 158 1HZ LYS 23 1HZ LYS 23 19.031 18.155 -7.256 159 2HZ LYS 23 2HZ LYS 23 17.529 17.809 -6.560 160 3HZ LYS 23 3HZ LYS 23 18.190 16.758 -7.708 161 H GLU 24 H GLU 24 20.453 17.698 0.532 162 HA GLU 24 HA GLU 24 22.859 16.382 1.037 163 1HB GLU 24 2HB GLU 24 21.343 18.556 2.442 164 2HB GLU 24 1HB GLU 24 22.769 17.881 3.205 165 1HG GLU 24 2HG GLU 24 23.719 18.364 0.724 166 2HG GLU 24 1HG GLU 24 22.529 19.655 0.880 167 H SER 25 H SER 25 19.759 16.217 2.649 168 HA SER 25 HA SER 25 20.612 14.751 4.917 169 1HB SER 25 2HB SER 25 17.929 15.182 3.607 170 2HB SER 25 1HB SER 25 18.111 14.112 4.997 171 HG SER 25 HG SER 25 19.071 15.945 6.089 172 H ILE 26 H ILE 26 19.190 13.730 1.782 173 HA ILE 26 HA ILE 26 19.099 10.981 2.360 174 HB ILE 26 HB ILE 26 19.243 12.538 -0.201 175 1HG1 ILE 26 2HG1 ILE 26 17.124 11.119 -0.531 176 2HG1 ILE 26 1HG1 ILE 26 17.307 10.714 1.174 177 1HG2 ILE 26 1HG2 ILE 26 20.452 10.820 -1.115 178 2HG2 ILE 26 2HG2 ILE 26 18.829 10.151 -1.279 179 3HG2 ILE 26 3HG2 ILE 26 19.864 9.637 0.054 180 1HD1 ILE 26 1HD1 ILE 26 17.240 13.091 1.722 181 2HD1 ILE 26 2HD1 ILE 26 15.773 12.536 0.914 182 3HD1 ILE 26 3HD1 ILE 26 16.980 13.461 0.018 183 H ASP 27 H ASP 27 21.679 12.976 1.005 184 HA ASP 27 HA ASP 27 23.546 11.031 0.405 185 1HB ASP 27 2HB ASP 27 23.819 13.435 -0.101 186 2HB ASP 27 1HB ASP 27 24.054 13.761 1.610 187 H ALA 28 H ALA 28 22.705 12.445 3.504 188 HA ALA 28 HA ALA 28 24.783 10.947 4.897 189 1HB ALA 28 1HB ALA 28 22.754 12.997 5.743 190 2HB ALA 28 2HB ALA 28 24.513 13.125 5.728 191 3HB ALA 28 3HB ALA 28 23.715 12.098 6.918 192 H VAL 29 H VAL 29 21.255 11.098 4.791 193 HA VAL 29 HA VAL 29 20.821 9.063 6.687 194 HB VAL 29 HB VAL 29 19.224 10.879 5.058 195 1HG1 VAL 29 1HG1 VAL 29 18.155 8.126 5.415 196 2HG1 VAL 29 2HG1 VAL 29 18.012 9.231 4.047 197 3HG1 VAL 29 3HG1 VAL 29 17.103 9.530 5.512 198 1HG2 VAL 29 1HG2 VAL 29 19.632 10.261 7.746 199 2HG2 VAL 29 2HG2 VAL 29 17.935 9.913 7.427 200 3HG2 VAL 29 3HG2 VAL 29 18.589 11.509 7.070 201 H LEU 30 H LEU 30 22.047 8.814 3.579 202 HA LEU 30 HA LEU 30 21.181 6.013 3.467 203 1HB LEU 30 2HB LEU 30 21.451 7.983 1.226 204 2HB LEU 30 1HB LEU 30 21.643 6.267 0.929 205 HG LEU 30 HG LEU 30 19.373 6.865 0.417 206 1HD1 LEU 30 1HD1 LEU 30 19.923 4.757 1.809 207 2HD1 LEU 30 2HD1 LEU 30 18.241 5.266 1.653 208 3HD1 LEU 30 3HD1 LEU 30 19.140 5.629 3.126 209 1HD2 LEU 30 1HD2 LEU 30 18.830 7.698 3.209 210 2HD2 LEU 30 2HD2 LEU 30 17.994 8.136 1.720 211 3HD2 LEU 30 3HD2 LEU 30 19.553 8.864 2.105 212 H GLN 31 H GLN 31 23.836 8.325 2.860 213 HA GLN 31 HA GLN 31 25.673 6.185 2.225 214 1HB GLN 31 2HB GLN 31 25.812 8.601 1.375 215 2HB GLN 31 1HB GLN 31 26.475 8.975 2.954 216 1HG GLN 31 2HG GLN 31 28.313 7.542 2.628 217 2HG GLN 31 1HG GLN 31 27.616 6.917 1.144 218 1HE2 GLN 31 1HE2 GLN 31 27.933 7.981 -0.739 219 2HE2 GLN 31 2HE2 GLN 31 28.858 9.433 -0.888 220 H ASN 32 H ASN 32 24.463 7.540 5.120 221 HA ASN 32 HA ASN 32 26.428 7.642 6.954 222 1HB ASN 32 2HB ASN 32 24.785 6.562 8.568 223 2HB ASN 32 1HB ASN 32 24.194 7.960 7.674 224 1HD2 ASN 32 1HD2 ASN 32 22.136 7.658 7.219 225 2HD2 ASN 32 2HD2 ASN 32 21.433 6.207 6.609 226 H GLN 33 H GLN 33 25.317 4.686 5.403 227 HA GLN 33 HA GLN 33 27.622 3.307 6.511 228 1HB GLN 33 2HB GLN 33 25.939 2.818 8.169 229 2HB GLN 33 1HB GLN 33 24.797 2.321 6.929 230 1HG GLN 33 2HG GLN 33 25.496 0.243 7.213 231 2HG GLN 33 1HG GLN 33 27.046 0.723 6.527 232 1HE2 GLN 33 1HE2 GLN 33 28.635 1.615 8.063 233 2HE2 GLN 33 2HE2 GLN 33 28.698 0.943 9.654 234 H GLN 34 H GLN 34 24.911 1.524 5.113 235 HA GLN 34 HA GLN 34 26.236 1.496 2.511 236 1HB GLN 34 2HB GLN 34 26.794 -0.486 4.269 237 2HB GLN 34 1HB GLN 34 25.374 -1.159 3.481 238 1HG GLN 34 2HG GLN 34 26.836 -0.281 1.353 239 2HG GLN 34 1HG GLN 34 28.092 -0.799 2.477 240 1HE2 GLN 34 1HE2 GLN 34 24.842 -2.027 1.761 241 2HE2 GLN 34 2HE2 GLN 34 25.347 -3.635 1.383 242 H TYR 35 H TYR 35 24.861 -0.157 1.058 243 HA TYR 35 HA TYR 35 22.168 0.937 1.087 244 1HB TYR 35 2HB TYR 35 23.262 1.016 -1.031 245 2HB TYR 35 1HB TYR 35 23.758 -0.665 -0.920 246 HD1 TYR 35 1HD TYR 35 20.423 1.005 -0.533 247 HD2 TYR 35 2HD TYR 35 22.780 -1.850 -2.632 248 HE1 TYR 35 1HE TYR 35 18.450 0.340 -1.846 249 HE2 TYR 35 2HE TYR 35 20.813 -2.521 -3.948 250 HH TYR 35 HH TYR 35 18.042 -2.313 -3.341 251 H SER 36 H SER 36 20.707 -0.081 2.287 252 HA SER 36 HA SER 36 20.495 -3.002 2.071 253 1HB SER 36 2HB SER 36 20.842 -1.380 4.522 254 2HB SER 36 1HB SER 36 19.591 -2.621 4.599 255 HG SER 36 HG SER 36 22.258 -2.902 4.714 256 H GLU 37 H GLU 37 18.485 -3.673 1.562 257 HA GLU 37 HA GLU 37 16.460 -1.855 0.914 258 1HB GLU 37 2HB GLU 37 16.633 -4.116 -0.052 259 2HB GLU 37 1HB GLU 37 16.167 -4.804 1.499 260 1HG GLU 37 2HG GLU 37 14.040 -4.612 0.951 261 2HG GLU 37 1HG GLU 37 14.226 -2.869 0.814 262 H ALA 38 H ALA 38 16.948 -3.801 3.828 263 HA ALA 38 HA ALA 38 14.495 -3.331 5.077 264 1HB ALA 38 1HB ALA 38 15.627 -3.867 7.159 265 2HB ALA 38 2HB ALA 38 17.193 -3.626 6.388 266 3HB ALA 38 3HB ALA 38 16.153 -4.956 5.875 267 H LYS 39 H LYS 39 17.272 -1.285 4.693 268 HA LYS 39 HA LYS 39 16.092 0.714 6.474 269 1HB LYS 39 2HB LYS 39 18.827 0.070 5.575 270 2HB LYS 39 1HB LYS 39 18.460 1.772 5.769 271 1HG LYS 39 2HG LYS 39 19.200 1.306 7.845 272 2HG LYS 39 1HG LYS 39 17.487 0.966 8.069 273 1HD LYS 39 2HD LYS 39 18.770 -0.816 9.038 274 2HD LYS 39 1HD LYS 39 17.963 -1.420 7.591 275 1HE LYS 39 2HE LYS 39 19.942 -1.435 6.354 276 2HE LYS 39 1HE LYS 39 20.766 -0.367 7.487 277 1HZ LYS 39 1HZ LYS 39 21.500 -2.692 7.645 278 2HZ LYS 39 2HZ LYS 39 19.935 -3.152 8.095 279 3HZ LYS 39 3HZ LYS 39 20.836 -2.130 9.097 280 H VAL 40 H VAL 40 16.396 -0.056 3.181 281 HA VAL 40 HA VAL 40 16.687 2.324 1.853 282 HB VAL 40 HB VAL 40 15.325 -0.246 1.271 283 1HG1 VAL 40 1HG1 VAL 40 13.621 1.308 0.439 284 2HG1 VAL 40 2HG1 VAL 40 14.421 0.437 -0.868 285 3HG1 VAL 40 3HG1 VAL 40 14.848 2.115 -0.537 286 1HG2 VAL 40 1HG2 VAL 40 17.182 1.376 -0.434 287 2HG2 VAL 40 2HG2 VAL 40 16.850 -0.353 -0.522 288 3HG2 VAL 40 3HG2 VAL 40 17.733 0.306 0.853 289 H SER 41 H SER 41 13.921 1.200 3.673 290 HA SER 41 HA SER 41 12.373 3.547 2.830 291 1HB SER 41 2HB SER 41 11.471 1.119 4.397 292 2HB SER 41 1HB SER 41 10.433 2.422 3.817 293 HG SER 41 HG SER 41 10.780 0.319 2.530 294 H GLN 42 H GLN 42 13.806 1.990 5.636 295 HA GLN 42 HA GLN 42 12.651 3.780 7.530 296 1HB GLN 42 2HB GLN 42 14.926 1.823 7.620 297 2HB GLN 42 1HB GLN 42 14.647 2.920 8.963 298 1HG GLN 42 2HG GLN 42 13.637 0.661 9.230 299 2HG GLN 42 1HG GLN 42 12.501 1.999 9.381 300 1HE2 GLN 42 1HE2 GLN 42 13.028 -0.962 7.996 301 2HE2 GLN 42 2HE2 GLN 42 11.836 -0.901 6.746 302 H TRP 43 H TRP 43 15.560 3.857 5.576 303 HA TRP 43 HA TRP 43 16.880 5.893 6.961 304 1HB TRP 43 2HB TRP 43 17.007 4.866 4.173 305 2HB TRP 43 1HB TRP 43 17.794 6.395 4.533 306 HD1 TRP 43 HD TRP 43 19.063 3.427 3.779 307 HE1 TRP 43 1HE TRP 43 20.976 2.593 5.247 308 HE3 TRP 43 3HE TRP 43 18.374 6.421 7.903 309 HZ2 TRP 43 2HZ TRP 43 22.080 3.096 7.782 310 HZ3 TRP 43 3HZ TRP 43 19.914 6.167 9.790 311 HH2 TRP 43 HH TRP 43 21.732 4.543 9.733 312 H THR 44 H THR 44 14.798 6.114 4.085 313 HA THR 44 HA THR 44 14.886 8.866 3.812 314 HB THR 44 HB THR 44 13.878 7.180 2.225 315 HG1 THR 44 1HG THR 44 13.717 9.415 1.891 316 1HG2 THR 44 1HG2 THR 44 11.552 7.470 4.078 317 2HG2 THR 44 2HG2 THR 44 12.264 6.003 3.411 318 3HG2 THR 44 3HG2 THR 44 11.352 7.094 2.369 319 H SER 45 H SER 45 13.218 6.966 6.150 320 HA SER 45 HA SER 45 11.396 9.021 6.985 321 1HB SER 45 2HB SER 45 11.870 6.280 7.653 322 2HB SER 45 1HB SER 45 11.961 7.224 9.137 323 HG SER 45 HG SER 45 9.800 6.612 7.593 324 H SER 46 H SER 46 14.590 7.853 7.862 325 HA SER 46 HA SER 46 15.045 9.642 10.025 326 1HB SER 46 2HB SER 46 16.741 7.865 8.329 327 2HB SER 46 1HB SER 46 17.543 9.155 9.223 328 HG SER 46 HG SER 46 17.261 8.066 10.993 329 H CYS 47 H CYS 47 15.412 9.777 6.549 330 HA CYS 47 HA CYS 47 16.876 12.177 6.337 331 1HB CYS 47 2HB CYS 47 16.683 11.033 4.295 332 2HB CYS 47 1HB CYS 47 14.995 10.669 4.548 333 HG CYS 47 HG CYS 47 14.528 12.519 3.027 334 H LEU 48 H LEU 48 13.445 11.431 6.490 335 HA LEU 48 HA LEU 48 12.453 14.015 6.239 336 1HB LEU 48 2HB LEU 48 11.443 11.431 7.288 337 2HB LEU 48 1HB LEU 48 10.559 12.872 7.742 338 HG LEU 48 HG LEU 48 9.752 13.218 5.638 339 1HD1 LEU 48 1HD1 LEU 48 12.285 11.961 4.613 340 2HD1 LEU 48 2HD1 LEU 48 11.738 13.623 4.433 341 3HD1 LEU 48 3HD1 LEU 48 10.920 12.331 3.560 342 1HD2 LEU 48 1HD2 LEU 48 10.291 10.285 5.901 343 2HD2 LEU 48 2HD2 LEU 48 9.440 10.927 4.497 344 3HD2 LEU 48 3HD2 LEU 48 8.778 11.163 6.114 345 H GLU 49 H GLU 49 13.651 12.269 9.051 346 HA GLU 49 HA GLU 49 12.897 14.424 10.805 347 1HB GLU 49 2HB GLU 49 13.171 11.997 11.544 348 2HB GLU 49 1HB GLU 49 14.906 12.313 11.514 349 1HG GLU 49 2HG GLU 49 14.299 14.378 12.931 350 2HG GLU 49 1HG GLU 49 12.803 13.522 13.257 351 H HIS 50 H HIS 50 15.687 13.417 8.975 352 HA HIS 50 HA HIS 50 17.400 15.451 10.125 353 1HB HIS 50 2HB HIS 50 17.762 13.416 7.930 354 2HB HIS 50 1HB HIS 50 18.967 14.657 8.256 355 HD1 HIS 50 1HD HIS 50 19.831 14.635 10.881 356 HD2 HIS 50 2HD HIS 50 18.124 11.158 9.377 357 HE1 HIS 50 1HE HIS 50 20.581 12.796 12.423 358 HE2 HIS 50 2HE HIS 50 19.605 10.690 11.444 359 H CYS 51 H CYS 51 14.861 15.643 8.085 360 HA CYS 51 HA CYS 51 16.051 17.736 6.403 361 1HB CYS 51 2HB CYS 51 14.767 15.701 5.341 362 2HB CYS 51 1HB CYS 51 13.320 16.510 5.925 363 HG CYS 51 HG CYS 51 13.977 18.552 4.374 364 H ILE 52 H ILE 52 13.401 16.809 8.490 365 HA ILE 52 HA ILE 52 12.122 19.329 8.598 366 HB ILE 52 HB ILE 52 11.070 17.129 9.135 367 1HG1 ILE 52 2HG1 ILE 52 9.999 19.195 9.849 368 2HG1 ILE 52 1HG1 ILE 52 9.692 17.866 10.960 369 1HG2 ILE 52 1HG2 ILE 52 13.041 16.352 10.505 370 2HG2 ILE 52 2HG2 ILE 52 11.433 15.961 11.106 371 3HG2 ILE 52 3HG2 ILE 52 12.340 17.292 11.818 372 1HD1 ILE 52 1HD1 ILE 52 10.171 19.429 12.475 373 2HD1 ILE 52 2HD1 ILE 52 11.162 20.369 11.358 374 3HD1 ILE 52 3HD1 ILE 52 11.825 18.926 12.127 375 H LYS 53 H LYS 53 14.454 17.647 10.722 376 HA LYS 53 HA LYS 53 14.622 19.577 12.733 377 1HB LYS 53 2HB LYS 53 16.335 17.344 11.796 378 2HB LYS 53 1HB LYS 53 17.129 18.571 12.765 379 1HG LYS 53 2HG LYS 53 16.303 16.619 14.056 380 2HG LYS 53 1HG LYS 53 15.672 18.165 14.608 381 1HD LYS 53 2HD LYS 53 14.024 16.839 12.593 382 2HD LYS 53 1HD LYS 53 14.173 15.953 14.107 383 1HE LYS 53 2HE LYS 53 13.611 18.859 14.279 384 2HE LYS 53 1HE LYS 53 12.306 17.815 13.724 385 1HZ LYS 53 1HZ LYS 53 13.804 17.124 16.161 386 2HZ LYS 53 2HZ LYS 53 12.226 16.704 15.722 387 3HZ LYS 53 3HZ LYS 53 12.571 18.281 16.229 388 H ARG 54 H ARG 54 16.169 19.382 9.594 389 HA ARG 54 HA ARG 54 18.021 21.506 10.088 390 1HB ARG 54 2HB ARG 54 17.758 19.539 8.166 391 2HB ARG 54 1HB ARG 54 17.340 21.002 7.286 392 1HG ARG 54 2HG ARG 54 19.853 20.669 8.903 393 2HG ARG 54 1HG ARG 54 19.739 20.387 7.165 394 1HD ARG 54 2HD ARG 54 19.684 22.581 6.689 395 2HD ARG 54 1HD ARG 54 18.666 22.964 8.068 396 HE ARG 54 HE ARG 54 20.546 23.449 9.287 397 1HH1 ARG 54 1HH1 ARG 54 21.499 21.730 6.392 398 2HH1 ARG 54 2HH1 ARG 54 23.190 22.001 6.645 399 1HH2 ARG 54 1HH2 ARG 54 22.768 23.800 9.610 400 2HH2 ARG 54 2HH2 ARG 54 23.910 23.173 8.467 401 H LEU 55 H LEU 55 14.904 21.192 8.454 402 HA LEU 55 HA LEU 55 14.692 23.797 7.465 403 1HB LEU 55 2HB LEU 55 12.644 21.765 8.312 404 2HB LEU 55 1HB LEU 55 12.177 23.337 7.688 405 HG LEU 55 HG LEU 55 13.812 21.274 6.215 406 1HD1 LEU 55 1HD1 LEU 55 11.217 22.208 5.188 407 2HD1 LEU 55 2HD1 LEU 55 11.159 21.174 6.615 408 3HD1 LEU 55 3HD1 LEU 55 11.949 20.605 5.145 409 1HD2 LEU 55 1HD2 LEU 55 14.575 23.364 5.491 410 2HD2 LEU 55 2HD2 LEU 55 12.956 24.062 5.531 411 3HD2 LEU 55 3HD2 LEU 55 13.374 22.873 4.297 412 H THR 56 H THR 56 14.165 22.484 10.647 413 HA THR 56 HA THR 56 12.854 24.783 11.724 414 HB THR 56 HB THR 56 12.976 23.694 13.811 415 HG1 THR 56 1HG THR 56 14.964 23.135 14.265 416 1HG2 THR 56 1HG2 THR 56 13.158 21.091 12.636 417 2HG2 THR 56 2HG2 THR 56 12.223 22.162 11.593 418 3HG2 THR 56 3HG2 THR 56 11.747 21.934 13.276 419 H ALA 57 H ALA 57 16.154 23.666 11.383 420 HA ALA 57 HA ALA 57 17.415 25.536 13.077 421 1HB ALA 57 1HB ALA 57 18.975 23.997 12.533 422 2HB ALA 57 2HB ALA 57 19.288 25.057 11.159 423 3HB ALA 57 3HB ALA 57 18.237 23.655 10.969 424 H LEU 58 H LEU 58 16.519 25.573 9.665 425 HA LEU 58 HA LEU 58 17.614 28.181 9.180 426 1HB LEU 58 2HB LEU 58 16.263 26.070 7.657 427 2HB LEU 58 1HB LEU 58 15.857 27.688 7.130 428 HG LEU 58 HG LEU 58 17.680 26.911 5.795 429 1HD1 LEU 58 1HD1 LEU 58 18.975 28.767 5.923 430 2HD1 LEU 58 2HD1 LEU 58 19.200 28.627 7.666 431 3HD1 LEU 58 3HD1 LEU 58 17.693 29.276 7.021 432 1HD2 LEU 58 1HD2 LEU 58 19.541 25.817 6.546 433 2HD2 LEU 58 2HD2 LEU 58 18.371 25.289 7.756 434 3HD2 LEU 58 3HD2 LEU 58 19.496 26.596 8.128 435 H ASN 59 H ASN 59 14.557 26.863 10.200 436 HA ASN 59 HA ASN 59 12.503 27.763 10.608 437 1HB ASN 59 2HB ASN 59 12.581 29.793 12.037 438 2HB ASN 59 1HB ASN 59 13.704 28.539 12.550 439 1HD2 ASN 59 1HD2 ASN 59 13.334 31.752 11.474 440 2HD2 ASN 59 2HD2 ASN 59 15.003 32.195 11.493 441 H LYS 60 H LYS 60 12.121 27.961 8.261 442 HA LYS 60 HA LYS 60 10.906 30.404 7.634 443 1HB LYS 60 2HB LYS 60 13.369 31.018 7.377 444 2HB LYS 60 1HB LYS 60 13.391 29.942 5.988 445 1HG LYS 60 2HG LYS 60 12.964 31.891 4.919 446 2HG LYS 60 1HG LYS 60 11.304 31.417 5.285 447 1HD LYS 60 2HD LYS 60 11.168 32.910 7.099 448 2HD LYS 60 1HD LYS 60 12.918 33.137 7.149 449 1HE LYS 60 2HE LYS 60 11.680 35.065 6.182 450 2HE LYS 60 1HE LYS 60 12.879 34.367 5.093 451 1HZ LYS 60 1HZ LYS 60 11.298 33.611 3.685 452 2HZ LYS 60 2HZ LYS 60 10.422 34.907 4.327 453 3HZ LYS 60 3HZ LYS 60 10.156 33.339 4.903 454 HA PRO 61 HA PRO 61 9.396 31.046 6.499 455 1HB PRO 61 2HB PRO 61 6.784 30.000 5.904 456 2HB PRO 61 1HB PRO 61 7.656 31.276 5.072 457 1HG PRO 61 2HG PRO 61 7.100 28.834 3.965 458 2HG PRO 61 1HG PRO 61 8.458 29.861 3.472 459 1HD PRO 61 2HD PRO 61 8.441 27.477 5.285 460 2HD PRO 61 1HD PRO 61 9.626 27.944 4.045 461 H PHE 62 H PHE 62 7.052 28.414 6.978 462 HA PHE 62 HA PHE 62 7.512 28.488 9.859 463 1HB PHE 62 2HB PHE 62 4.910 29.181 8.506 464 2HB PHE 62 1HB PHE 62 4.972 28.611 10.170 465 HD1 PHE 62 1HD PHE 62 6.022 31.314 7.892 466 HD2 PHE 62 2HD PHE 62 5.625 30.041 11.932 467 HE1 PHE 62 1HE PHE 62 6.468 33.610 8.655 468 HE2 PHE 62 2HE PHE 62 6.069 32.335 12.703 469 HZ PHE 62 HZ PHE 62 6.490 34.124 11.063 470 H LYS 63 H LYS 63 5.079 27.183 7.595 471 HA LYS 63 HA LYS 63 5.407 24.563 8.859 472 1HB LYS 63 2HB LYS 63 3.124 25.711 8.453 473 2HB LYS 63 1HB LYS 63 3.339 25.218 6.778 474 1HG LYS 63 2HG LYS 63 3.577 23.225 8.995 475 2HG LYS 63 1HG LYS 63 1.996 23.708 8.381 476 1HD LYS 63 2HD LYS 63 3.802 23.103 6.209 477 2HD LYS 63 1HD LYS 63 3.701 21.750 7.336 478 1HE LYS 63 2HE LYS 63 1.238 21.840 7.169 479 2HE LYS 63 1HE LYS 63 1.389 23.130 5.976 480 1HZ LYS 63 1HZ LYS 63 1.252 21.353 4.596 481 2HZ LYS 63 2HZ LYS 63 1.935 20.273 5.705 482 3HZ LYS 63 3HZ LYS 63 2.927 21.334 4.838 483 H TYR 64 H TYR 64 6.709 23.152 7.972 484 HA TYR 64 HA TYR 64 7.127 23.225 5.055 485 1HB TYR 64 2HB TYR 64 9.204 21.878 6.665 486 2HB TYR 64 1HB TYR 64 9.372 22.972 5.300 487 HD1 TYR 64 1HD TYR 64 9.914 22.589 8.743 488 HD2 TYR 64 2HD TYR 64 8.804 25.504 5.850 489 HE1 TYR 64 1HE TYR 64 10.615 24.373 10.283 490 HE2 TYR 64 2HE TYR 64 9.503 27.297 7.382 491 HH TYR 64 HH TYR 64 9.752 27.533 9.950 492 H VAL 65 H VAL 65 6.965 21.338 3.921 493 HA VAL 65 HA VAL 65 6.081 18.995 5.453 494 HB VAL 65 HB VAL 65 4.990 20.285 3.132 495 1HG1 VAL 65 1HG1 VAL 65 5.736 17.390 2.750 496 2HG1 VAL 65 2HG1 VAL 65 5.940 18.729 1.623 497 3HG1 VAL 65 3HG1 VAL 65 4.331 18.095 1.953 498 1HG2 VAL 65 1HG2 VAL 65 3.981 19.327 5.314 499 2HG2 VAL 65 2HG2 VAL 65 3.781 17.880 4.322 500 3HG2 VAL 65 3HG2 VAL 65 3.042 19.403 3.823 501 H VAL 66 H VAL 66 7.122 17.059 5.188 502 HA VAL 66 HA VAL 66 9.212 16.936 3.127 503 HB VAL 66 HB VAL 66 9.749 15.753 5.827 504 1HG1 VAL 66 1HG1 VAL 66 11.792 16.920 4.020 505 2HG1 VAL 66 2HG1 VAL 66 11.015 15.415 3.535 506 3HG1 VAL 66 3HG1 VAL 66 11.882 15.504 5.066 507 1HG2 VAL 66 1HG2 VAL 66 11.070 17.803 6.363 508 2HG2 VAL 66 2HG2 VAL 66 9.325 18.055 6.366 509 3HG2 VAL 66 3HG2 VAL 66 10.292 18.604 4.997 510 H THR 67 H THR 67 8.523 15.355 1.813 511 HA THR 67 HA THR 67 7.966 12.753 3.043 512 HB THR 67 HB THR 67 5.776 13.518 2.525 513 HG1 THR 67 1HG THR 67 5.212 11.817 1.412 514 1HG2 THR 67 1HG2 THR 67 5.201 14.860 0.861 515 2HG2 THR 67 2HG2 THR 67 6.031 13.865 -0.336 516 3HG2 THR 67 3HG2 THR 67 6.928 15.076 0.581 517 H CYS 68 H CYS 68 8.367 10.933 1.714 518 HA CYS 68 HA CYS 68 9.828 11.409 -0.763 519 1HB CYS 68 2HB CYS 68 11.475 11.444 1.127 520 2HB CYS 68 1HB CYS 68 11.010 9.786 1.487 521 HG CYS 68 HG CYS 68 13.198 10.198 -0.170 522 H ILE 69 H ILE 69 10.092 9.545 -2.053 523 HA ILE 69 HA ILE 69 8.594 7.153 -1.280 524 HB ILE 69 HB ILE 69 8.183 8.712 -3.835 525 1HG1 ILE 69 2HG1 ILE 69 5.900 7.891 -2.157 526 2HG1 ILE 69 1HG1 ILE 69 6.948 9.132 -1.480 527 1HG2 ILE 69 1HG2 ILE 69 8.043 6.577 -4.653 528 2HG2 ILE 69 2HG2 ILE 69 6.376 6.850 -4.150 529 3HG2 ILE 69 3HG2 ILE 69 7.464 5.915 -3.125 530 1HD1 ILE 69 1HD1 ILE 69 6.529 9.951 -4.086 531 2HD1 ILE 69 2HD1 ILE 69 5.762 10.597 -2.635 532 3HD1 ILE 69 3HD1 ILE 69 4.967 9.325 -3.562 533 H ILE 70 H ILE 70 9.805 5.388 -1.691 534 HA ILE 70 HA ILE 70 12.090 5.696 -3.510 535 HB ILE 70 HB ILE 70 12.790 3.446 -2.382 536 1HG1 ILE 70 2HG1 ILE 70 12.098 3.312 -0.016 537 2HG1 ILE 70 1HG1 ILE 70 10.952 4.620 -0.282 538 1HG2 ILE 70 1HG2 ILE 70 13.945 4.723 -0.614 539 2HG2 ILE 70 2HG2 ILE 70 12.939 6.116 -1.008 540 3HG2 ILE 70 3HG2 ILE 70 14.059 5.470 -2.207 541 1HD1 ILE 70 1HD1 ILE 70 10.245 2.080 -0.345 542 2HD1 ILE 70 2HD1 ILE 70 10.747 2.243 -2.028 543 3HD1 ILE 70 3HD1 ILE 70 9.485 3.291 -1.377 544 H MET 71 H MET 71 12.510 4.306 -5.155 545 HA MET 71 HA MET 71 10.321 2.481 -5.883 546 1HB MET 71 2HB MET 71 11.869 4.434 -7.391 547 2HB MET 71 1HB MET 71 11.886 2.853 -8.159 548 1HG MET 71 2HG MET 71 9.269 3.071 -7.589 549 2HG MET 71 1HG MET 71 9.684 4.770 -7.807 550 1HE MET 71 1HE MET 71 8.092 2.000 -9.802 551 2HE MET 71 2HE MET 71 7.911 3.198 -11.084 552 3HE MET 71 3HE MET 71 7.567 3.637 -9.411 553 H GLN 72 H GLN 72 10.948 0.605 -4.965 554 HA GLN 72 HA GLN 72 13.505 -0.401 -4.650 555 1HB GLN 72 2HB GLN 72 11.028 -1.231 -3.948 556 2HB GLN 72 1HB GLN 72 11.396 -2.395 -5.212 557 1HG GLN 72 2HG GLN 72 13.468 -2.989 -4.035 558 2HG GLN 72 1HG GLN 72 13.045 -1.856 -2.753 559 1HE2 GLN 72 1HE2 GLN 72 12.350 -4.915 -4.223 560 2HE2 GLN 72 2HE2 GLN 72 11.320 -5.518 -2.973 561 H LYS 73 H LYS 73 14.691 -2.023 -5.728 562 HA LYS 73 HA LYS 73 14.555 -1.809 -8.608 563 1HB LYS 73 2HB LYS 73 16.727 -1.666 -7.502 564 2HB LYS 73 1HB LYS 73 16.499 -3.264 -6.808 565 1HG LYS 73 2HG LYS 73 18.000 -3.394 -8.684 566 2HG LYS 73 1HG LYS 73 16.493 -4.226 -9.073 567 1HD LYS 73 2HD LYS 73 16.026 -1.647 -9.932 568 2HD LYS 73 1HD LYS 73 17.727 -1.899 -10.326 569 1HE LYS 73 2HE LYS 73 17.085 -4.020 -11.459 570 2HE LYS 73 1HE LYS 73 15.394 -3.611 -11.172 571 1HZ LYS 73 1HZ LYS 73 16.131 -1.402 -12.355 572 2HZ LYS 73 2HZ LYS 73 15.666 -2.760 -13.247 573 3HZ LYS 73 3HZ LYS 73 17.307 -2.412 -13.033 574 H ASN 74 H ASN 74 12.454 -2.940 -8.727 575 HA ASN 74 HA ASN 74 12.842 -5.688 -9.415 576 1HB ASN 74 2HB ASN 74 11.133 -6.599 -7.852 577 2HB ASN 74 1HB ASN 74 12.580 -6.023 -7.032 578 1HD2 ASN 74 1HD2 ASN 74 10.426 -6.345 -5.528 579 2HD2 ASN 74 2HD2 ASN 74 9.717 -4.830 -5.101 580 H GLY 75 H GLY 75 11.904 -3.203 -10.626 581 1HA GLY 75 2HA GLY 75 10.273 -2.495 -12.075 582 2HA GLY 75 1HA GLY 75 9.820 -4.187 -12.194 583 H ALA 76 H ALA 76 9.704 -2.476 -9.155 584 HA ALA 76 HA ALA 76 7.003 -3.157 -8.698 585 1HB ALA 76 1HB ALA 76 8.598 -2.785 -6.882 586 2HB ALA 76 2HB ALA 76 7.176 -1.756 -6.707 587 3HB ALA 76 3HB ALA 76 8.688 -1.076 -7.307 588 H GLY 77 H GLY 77 5.119 -2.008 -8.892 589 1HA GLY 77 2HA GLY 77 5.329 0.656 -10.156 590 2HA GLY 77 1HA GLY 77 4.193 -0.555 -10.728 591 H LEU 78 H LEU 78 4.661 2.058 -8.664 592 HA LEU 78 HA LEU 78 2.001 1.647 -7.510 593 1HB LEU 78 2HB LEU 78 3.665 0.968 -5.816 594 2HB LEU 78 1HB LEU 78 4.409 2.552 -5.928 595 HG LEU 78 HG LEU 78 1.516 2.461 -5.255 596 1HD1 LEU 78 1HD1 LEU 78 1.693 1.567 -3.200 597 2HD1 LEU 78 2HD1 LEU 78 3.320 2.200 -2.946 598 3HD1 LEU 78 3HD1 LEU 78 3.082 0.733 -3.896 599 1HD2 LEU 78 1HD2 LEU 78 2.686 4.191 -3.561 600 2HD2 LEU 78 2HD2 LEU 78 2.159 4.623 -5.187 601 3HD2 LEU 78 3HD2 LEU 78 3.850 4.225 -4.885 602 H HIS 79 H HIS 79 1.099 3.191 -8.820 603 HA HIS 79 HA HIS 79 2.298 5.809 -9.063 604 1HB HIS 79 2HB HIS 79 -0.042 4.409 -10.258 605 2HB HIS 79 1HB HIS 79 -0.070 6.169 -10.230 606 HD1 HIS 79 1HD HIS 79 0.495 6.865 -12.539 607 HD2 HIS 79 2HD HIS 79 2.966 3.809 -11.190 608 HE1 HIS 79 1HE HIS 79 2.200 6.527 -14.356 609 HE2 HIS 79 2HE HIS 79 3.733 4.729 -13.482 610 H THR 80 H THR 80 2.007 7.403 -7.678 611 HA THR 80 HA THR 80 -0.188 7.259 -5.751 612 HB THR 80 HB THR 80 2.205 9.109 -5.829 613 HG1 THR 80 1HG THR 80 1.738 6.662 -4.498 614 1HG2 THR 80 1HG2 THR 80 -0.009 8.755 -3.875 615 2HG2 THR 80 2HG2 THR 80 0.790 10.229 -4.425 616 3HG2 THR 80 3HG2 THR 80 1.608 9.152 -3.294 617 H ALA 81 H ALA 81 -1.524 9.110 -5.315 618 HA ALA 81 HA ALA 81 -1.616 11.082 -7.509 619 1HB ALA 81 1HB ALA 81 -4.089 9.851 -6.312 620 2HB ALA 81 2HB ALA 81 -3.336 9.269 -7.796 621 3HB ALA 81 3HB ALA 81 -3.975 10.911 -7.717 622 H ALA 82 H ALA 82 -2.283 13.156 -6.932 623 HA ALA 82 HA ALA 82 -3.238 13.672 -4.274 624 1HB ALA 82 1HB ALA 82 -0.840 13.340 -3.899 625 2HB ALA 82 2HB ALA 82 -1.382 14.971 -3.496 626 3HB ALA 82 3HB ALA 82 -0.508 14.676 -5.000 627 H SER 83 H SER 83 -4.288 15.506 -4.077 628 HA SER 83 HA SER 83 -3.914 17.665 -5.997 629 1HB SER 83 2HB SER 83 -5.771 16.037 -6.767 630 2HB SER 83 1HB SER 83 -6.698 16.661 -5.403 631 HG SER 83 HG SER 83 -6.862 17.720 -7.603 632 H CYS 84 H CYS 84 -3.623 19.417 -4.780 633 HA CYS 84 HA CYS 84 -4.884 19.509 -2.131 634 1HB CYS 84 2HB CYS 84 -3.192 21.302 -1.667 635 2HB CYS 84 1HB CYS 84 -2.501 19.718 -2.006 636 HG CYS 84 HG CYS 84 -1.095 21.046 -3.537 637 H TRP 85 H TRP 85 -5.683 21.561 -1.349 638 HA TRP 85 HA TRP 85 -7.359 22.832 -3.300 639 1HB TRP 85 2HB TRP 85 -7.630 22.367 -0.663 640 2HB TRP 85 1HB TRP 85 -7.069 24.034 -0.605 641 HD1 TRP 85 HD TRP 85 -9.824 22.024 -2.463 642 HE1 TRP 85 1HE TRP 85 -11.904 23.521 -2.635 643 HE3 TRP 85 3HE TRP 85 -7.966 26.257 -0.279 644 HZ2 TRP 85 2HZ TRP 85 -12.667 26.149 -1.939 645 HZ3 TRP 85 3HZ TRP 85 -9.437 28.218 -0.070 646 HH2 TRP 85 HH TRP 85 -11.738 28.164 -0.884 647 H TRP 86 H TRP 86 -7.529 25.403 -2.897 648 HA TRP 86 HA TRP 86 -4.991 26.419 -3.865 649 1HB TRP 86 2HB TRP 86 -7.768 27.573 -3.687 650 2HB TRP 86 1HB TRP 86 -6.382 28.563 -4.129 651 HD1 TRP 86 HD TRP 86 -6.474 24.994 -5.426 652 HE1 TRP 86 1HE TRP 86 -6.881 25.036 -7.967 653 HE3 TRP 86 3HE TRP 86 -7.556 29.957 -5.994 654 HZ2 TRP 86 2HZ TRP 86 -7.570 26.922 -9.950 655 HZ3 TRP 86 3HZ TRP 86 -8.079 30.801 -8.246 656 HH2 TRP 86 HH TRP 86 -8.084 29.313 -10.183 657 H ASP 87 H ASP 87 -3.680 27.834 -2.850 658 HA ASP 87 HA ASP 87 -4.327 29.506 -0.714 659 1HB ASP 87 2HB ASP 87 -4.354 26.945 0.205 660 2HB ASP 87 1HB ASP 87 -2.668 27.370 0.483 661 H SER 88 H SER 88 -2.989 30.978 -1.640 662 HA SER 88 HA SER 88 -0.452 30.466 -2.709 663 1HB SER 88 2HB SER 88 -0.123 32.888 -2.658 664 2HB SER 88 1HB SER 88 -1.764 32.509 -3.184 665 HG SER 88 HG SER 88 -2.089 34.016 -1.674 666 H THR 89 H THR 89 -1.491 31.100 0.563 667 HA THR 89 HA THR 89 1.051 31.737 1.638 668 HB THR 89 HB THR 89 -0.993 32.314 2.824 669 HG1 THR 89 1HG THR 89 0.970 31.791 4.013 670 1HG2 THR 89 1HG2 THR 89 -2.129 30.063 2.142 671 2HG2 THR 89 2HG2 THR 89 -2.556 30.871 3.650 672 3HG2 THR 89 3HG2 THR 89 -1.445 29.501 3.668 673 H THR 90 H THR 90 -0.798 28.695 1.549 674 HA THR 90 HA THR 90 1.565 27.252 2.455 675 HB THR 90 HB THR 90 0.099 25.433 2.968 676 HG1 THR 90 1HG THR 90 -1.903 25.239 2.169 677 1HG2 THR 90 1HG2 THR 90 -0.859 26.345 4.742 678 2HG2 THR 90 2HG2 THR 90 -1.927 27.335 3.747 679 3HG2 THR 90 3HG2 THR 90 -0.301 27.902 4.132 680 H ASP 91 H ASP 91 2.202 28.085 0.100 681 HA ASP 91 HA ASP 91 1.805 25.767 -1.652 682 1HB ASP 91 2HB ASP 91 0.349 27.633 -2.410 683 2HB ASP 91 1HB ASP 91 1.783 28.636 -2.604 684 H GLY 92 H GLY 92 3.608 24.902 -2.310 685 1HA GLY 92 2HA GLY 92 5.925 26.466 -3.021 686 2HA GLY 92 1HA GLY 92 6.143 25.498 -1.566 687 H SER 93 H SER 93 5.558 23.179 -1.772 688 HA SER 93 HA SER 93 6.067 21.147 -2.658 689 1HB SER 93 2HB SER 93 3.908 21.675 -3.753 690 2HB SER 93 1HB SER 93 4.793 22.348 -5.122 691 HG SER 93 HG SER 93 4.189 20.180 -5.493 692 H ARG 94 H ARG 94 8.151 20.662 -2.899 693 HA ARG 94 HA ARG 94 9.399 21.235 -5.485 694 1HB ARG 94 2HB ARG 94 11.035 21.500 -2.976 695 2HB ARG 94 1HB ARG 94 11.407 22.068 -4.597 696 1HG ARG 94 2HG ARG 94 9.150 23.204 -2.976 697 2HG ARG 94 1HG ARG 94 10.799 23.823 -2.880 698 1HD ARG 94 2HD ARG 94 10.788 24.502 -5.132 699 2HD ARG 94 1HD ARG 94 9.349 23.549 -5.494 700 HE ARG 94 HE ARG 94 8.960 25.637 -3.539 701 1HH1 ARG 94 1HH1 ARG 94 8.850 24.808 -6.938 702 2HH1 ARG 94 2HH1 ARG 94 7.763 26.093 -7.336 703 1HH2 ARG 94 1HH2 ARG 94 7.532 27.320 -4.075 704 2HH2 ARG 94 2HH2 ARG 94 7.016 27.517 -5.717 705 H THR 95 H THR 95 9.373 19.146 -6.188 706 HA THR 95 HA THR 95 10.233 17.051 -4.382 707 HB THR 95 HB THR 95 8.202 16.939 -5.987 708 HG1 THR 95 1HG THR 95 8.282 14.833 -5.694 709 1HG2 THR 95 1HG2 THR 95 8.524 15.980 -8.103 710 2HG2 THR 95 2HG2 THR 95 10.257 15.788 -7.837 711 3HG2 THR 95 3HG2 THR 95 9.569 17.399 -8.045 712 H VAL 96 H VAL 96 11.874 15.557 -4.814 713 HA VAL 96 HA VAL 96 13.853 16.368 -6.835 714 HB VAL 96 HB VAL 96 14.633 15.464 -4.062 715 1HG1 VAL 96 1HG1 VAL 96 16.741 16.820 -5.013 716 2HG1 VAL 96 2HG1 VAL 96 16.062 16.231 -6.529 717 3HG1 VAL 96 3HG1 VAL 96 16.512 15.090 -5.263 718 1HG2 VAL 96 1HG2 VAL 96 13.813 17.494 -3.454 719 2HG2 VAL 96 2HG2 VAL 96 13.983 18.171 -5.074 720 3HG2 VAL 96 3HG2 VAL 96 15.398 18.011 -4.034 721 H ARG 97 H ARG 97 15.033 14.654 -7.742 722 HA ARG 97 HA ARG 97 14.078 11.971 -6.971 723 1HB ARG 97 2HB ARG 97 13.665 13.193 -9.375 724 2HB ARG 97 1HB ARG 97 15.134 12.285 -9.698 725 1HG ARG 97 2HG ARG 97 13.823 10.548 -10.123 726 2HG ARG 97 1HG ARG 97 13.532 10.462 -8.385 727 1HD ARG 97 2HD ARG 97 11.376 10.782 -8.831 728 2HD ARG 97 1HD ARG 97 11.790 12.434 -9.289 729 HE ARG 97 HE ARG 97 12.268 11.061 -11.554 730 1HH1 ARG 97 1HH1 ARG 97 9.502 11.157 -9.414 731 2HH1 ARG 97 2HH1 ARG 97 8.365 10.819 -10.674 732 1HH2 ARG 97 1HH2 ARG 97 10.766 10.618 -13.203 733 2HH2 ARG 97 2HH2 ARG 97 9.080 10.514 -12.821 734 H TRP 98 H TRP 98 15.608 10.931 -5.911 735 HA TRP 98 HA TRP 98 18.430 11.325 -6.634 736 1HB TRP 98 2HB TRP 98 16.969 10.580 -4.179 737 2HB TRP 98 1HB TRP 98 18.384 9.588 -4.469 738 HD1 TRP 98 HD TRP 98 17.764 11.970 -2.194 739 HE1 TRP 98 1HE TRP 98 19.661 13.653 -1.793 740 HE3 TRP 98 3HE TRP 98 20.410 11.304 -6.520 741 HZ2 TRP 98 2HZ TRP 98 21.917 14.618 -3.111 742 HZ3 TRP 98 3HZ TRP 98 22.436 12.658 -6.871 743 HH2 TRP 98 HH TRP 98 23.180 14.276 -5.199 744 H GLU 99 H GLU 99 19.680 9.669 -7.395 745 HA GLU 99 HA GLU 99 18.607 6.974 -7.524 746 1HB GLU 99 2HB GLU 99 19.611 8.266 -10.044 747 2HB GLU 99 1HB GLU 99 18.774 6.733 -9.872 748 1HG GLU 99 2HG GLU 99 16.791 8.108 -9.045 749 2HG GLU 99 1HG GLU 99 17.652 9.504 -9.691 750 H ASN 100 H ASN 100 20.193 5.384 -7.767 751 HA ASN 100 HA ASN 100 22.971 6.358 -7.755 752 1HB ASN 100 2HB ASN 100 23.395 4.331 -6.198 753 2HB ASN 100 1HB ASN 100 22.688 5.789 -5.510 754 1HD2 ASN 100 1HD2 ASN 100 22.398 2.474 -5.861 755 2HD2 ASN 100 2HD2 ASN 100 20.785 2.290 -5.269 756 H LYS 101 H LYS 101 21.107 3.307 -8.003 757 HA LYS 101 HA LYS 101 22.011 2.705 -10.592 758 1HB LYS 101 2HB LYS 101 24.193 2.360 -9.788 759 2HB LYS 101 1HB LYS 101 23.629 1.602 -8.310 760 1HG LYS 101 2HG LYS 101 22.987 0.178 -10.813 761 2HG LYS 101 1HG LYS 101 24.693 0.251 -10.369 762 1HD LYS 101 2HD LYS 101 22.477 -0.689 -8.549 763 2HD LYS 101 1HD LYS 101 23.527 -1.755 -9.478 764 1HE LYS 101 2HE LYS 101 25.161 0.076 -8.031 765 2HE LYS 101 1HE LYS 101 23.977 -0.613 -6.923 766 1HZ LYS 101 1HZ LYS 101 24.681 -2.804 -7.505 767 2HZ LYS 101 2HZ LYS 101 26.055 -1.908 -7.094 768 3HZ LYS 101 3HZ LYS 101 25.706 -2.222 -8.718 769 H SER 102 H SER 102 21.192 1.185 -7.484 770 HA SER 102 HA SER 102 19.807 -0.979 -8.772 771 1HB SER 102 2HB SER 102 20.894 -1.505 -6.721 772 2HB SER 102 1HB SER 102 20.115 -0.163 -5.883 773 HG SER 102 HG SER 102 19.274 -2.573 -5.878 774 H MET 103 H MET 103 18.659 1.402 -6.377 775 HA MET 103 HA MET 103 16.048 1.359 -7.752 776 1HB MET 103 2HB MET 103 15.196 1.994 -5.372 777 2HB MET 103 1HB MET 103 15.559 0.315 -5.747 778 1HG MET 103 2HG MET 103 17.605 0.405 -4.561 779 2HG MET 103 1HG MET 103 17.524 2.160 -4.423 780 1HE MET 103 1HE MET 103 15.629 -1.003 -3.905 781 2HE MET 103 2HE MET 103 14.714 -0.804 -2.409 782 3HE MET 103 3HE MET 103 16.429 -1.212 -2.347 783 H TYR 104 H TYR 104 14.675 3.312 -6.772 784 HA TYR 104 HA TYR 104 16.348 5.728 -7.073 785 1HB TYR 104 2HB TYR 104 13.449 5.535 -7.883 786 2HB TYR 104 1HB TYR 104 14.608 6.795 -8.294 787 HD1 TYR 104 1HD TYR 104 12.877 4.132 -9.611 788 HD2 TYR 104 2HD TYR 104 16.821 5.725 -9.500 789 HE1 TYR 104 1HE TYR 104 13.406 2.953 -11.702 790 HE2 TYR 104 2HE TYR 104 17.360 4.552 -11.592 791 HH TYR 104 HH TYR 104 15.068 3.253 -13.616 792 H CYS 105 H CYS 105 15.439 7.691 -6.050 793 HA CYS 105 HA CYS 105 13.605 7.198 -3.833 794 1HB CYS 105 2HB CYS 105 16.044 6.805 -3.123 795 2HB CYS 105 1HB CYS 105 16.250 8.543 -3.306 796 HG CYS 105 HG CYS 105 15.523 8.596 -0.965 797 H ILE 106 H ILE 106 12.080 8.651 -4.439 798 HA ILE 106 HA ILE 106 12.918 11.333 -5.239 799 HB ILE 106 HB ILE 106 11.311 10.423 -6.733 800 1HG1 ILE 106 2HG1 ILE 106 9.453 12.077 -5.079 801 2HG1 ILE 106 1HG1 ILE 106 10.928 12.827 -5.684 802 1HG2 ILE 106 1HG2 ILE 106 10.296 8.647 -5.710 803 2HG2 ILE 106 2HG2 ILE 106 8.981 9.823 -5.727 804 3HG2 ILE 106 3HG2 ILE 106 9.914 9.563 -4.255 805 1HD1 ILE 106 1HD1 ILE 106 8.977 11.392 -7.452 806 2HD1 ILE 106 2HD1 ILE 106 10.293 12.468 -7.926 807 3HD1 ILE 106 3HD1 ILE 106 8.877 13.117 -7.097 808 H CYS 107 H CYS 107 13.064 12.867 -3.734 809 HA CYS 107 HA CYS 107 11.286 12.696 -1.383 810 1HB CYS 107 2HB CYS 107 13.127 14.039 -0.225 811 2HB CYS 107 1HB CYS 107 13.474 12.347 -0.562 812 HG CYS 107 HG CYS 107 15.479 13.133 -1.703 813 H THR 108 H THR 108 9.834 14.291 -1.247 814 HA THR 108 HA THR 108 10.445 16.805 -2.629 815 HB THR 108 HB THR 108 8.521 15.390 -3.506 816 HG1 THR 108 1HG THR 108 7.501 17.183 -4.087 817 1HG2 THR 108 1HG2 THR 108 7.472 14.684 -1.450 818 2HG2 THR 108 2HG2 THR 108 6.352 15.679 -2.381 819 3HG2 THR 108 3HG2 THR 108 7.187 16.361 -0.985 820 H VAL 109 H VAL 109 9.956 18.745 -1.702 821 HA VAL 109 HA VAL 109 9.159 18.685 1.120 822 HB VAL 109 HB VAL 109 10.961 20.914 0.449 823 1HG1 VAL 109 1HG1 VAL 109 11.944 20.206 2.657 824 2HG1 VAL 109 2HG1 VAL 109 10.702 18.955 2.716 825 3HG1 VAL 109 3HG1 VAL 109 10.239 20.657 2.685 826 1HG2 VAL 109 1HG2 VAL 109 13.016 19.489 0.798 827 2HG2 VAL 109 2HG2 VAL 109 12.246 19.372 -0.785 828 3HG2 VAL 109 3HG2 VAL 109 12.005 18.096 0.409 829 H PHE 110 H PHE 110 7.449 19.943 1.495 830 HA PHE 110 HA PHE 110 6.818 21.989 -0.510 831 1HB PHE 110 2HB PHE 110 5.011 20.473 1.342 832 2HB PHE 110 1HB PHE 110 4.489 21.899 0.485 833 HD1 PHE 110 1HD PHE 110 2.953 21.209 -1.056 834 HD2 PHE 110 2HD PHE 110 6.568 18.995 -0.656 835 HE1 PHE 110 1HE PHE 110 2.318 19.828 -2.987 836 HE2 PHE 110 2HE PHE 110 5.936 17.621 -2.590 837 HZ PHE 110 HZ PHE 110 3.812 18.030 -3.756 838 H GLY 111 H GLY 111 7.760 23.763 0.136 839 1HA GLY 111 2HA GLY 111 7.859 24.528 2.931 840 2HA GLY 111 1HA GLY 111 8.592 25.392 1.585 841 H LEU 112 H LEU 112 5.802 25.014 3.570 842 HA LEU 112 HA LEU 112 4.206 26.834 1.981 843 1HB LEU 112 2HB LEU 112 3.746 25.321 4.537 844 2HB LEU 112 1HB LEU 112 2.585 26.476 3.924 845 HG LEU 112 HG LEU 112 1.868 25.075 2.253 846 1HD1 LEU 112 1HD1 LEU 112 4.456 23.560 2.217 847 2HD1 LEU 112 2HD1 LEU 112 4.111 24.925 1.161 848 3HD1 LEU 112 3HD1 LEU 112 3.137 23.458 1.056 849 1HD2 LEU 112 1HD2 LEU 112 2.123 22.650 3.033 850 2HD2 LEU 112 2HD2 LEU 112 1.299 23.799 4.089 851 3HD2 LEU 112 3HD2 LEU 112 2.974 23.347 4.411 852 H ALA 113 H ALA 113 4.100 28.940 2.225 853 HA ALA 113 HA ALA 113 5.796 30.392 3.896 854 1HB ALA 113 1HB ALA 113 4.878 32.305 2.966 855 2HB ALA 113 2HB ALA 113 3.286 31.569 2.783 856 3HB ALA 113 3HB ALA 113 4.608 31.084 1.721 857 H ILE 114 H ILE 114 2.311 29.857 4.160 858 HA ILE 114 HA ILE 114 0.877 29.906 5.929 859 HB ILE 114 HB ILE 114 3.298 30.052 7.721 860 1HG1 ILE 114 2HG1 ILE 114 3.556 28.153 6.220 861 2HG1 ILE 114 1HG1 ILE 114 3.143 27.586 7.833 862 1HG2 ILE 114 1HG2 ILE 114 0.431 29.249 8.134 863 2HG2 ILE 114 2HG2 ILE 114 1.347 30.509 8.961 864 3HG2 ILE 114 3HG2 ILE 114 1.713 28.811 9.262 865 1HD1 ILE 114 1HD1 ILE 114 1.990 26.436 5.920 866 2HD1 ILE 114 2HD1 ILE 114 1.101 27.939 5.663 867 3HD1 ILE 114 3HD1 ILE 114 0.937 27.067 7.187 868 1H MET 1 1HT MET 1 -19.097 -12.615 -6.547 869 HA MET 1 HA MET 1 -18.441 -12.481 -9.382 870 1HB MET 1 2HB MET 1 -17.657 -11.055 -6.854 871 2HB MET 1 1HB MET 1 -16.579 -11.076 -8.243 872 1HG MET 1 2HG MET 1 -17.694 -9.133 -8.629 873 2HG MET 1 1HG MET 1 -18.722 -10.257 -9.515 874 1HE MET 1 1HE MET 1 -20.178 -7.125 -7.695 875 2HE MET 1 2HE MET 1 -21.293 -8.048 -8.702 876 3HE MET 1 3HE MET 1 -19.628 -7.802 -9.228 877 H GLU 2 H GLU 2 -17.328 -13.464 -6.148 878 HA GLU 2 HA GLU 2 -15.836 -15.035 -5.459 879 1HB GLU 2 2HB GLU 2 -17.324 -16.376 -7.122 880 2HB GLU 2 1HB GLU 2 -15.920 -16.304 -8.178 881 1HG GLU 2 2HG GLU 2 -15.175 -17.134 -5.519 882 2HG GLU 2 1HG GLU 2 -16.440 -18.169 -6.180 883 H GLY 3 H GLY 3 -13.797 -14.465 -5.131 884 1HA GLY 3 2HA GLY 3 -11.504 -14.575 -5.873 885 2HA GLY 3 1HA GLY 3 -12.049 -14.108 -7.477 886 H VAL 4 H VAL 4 -13.180 -11.890 -7.511 887 HA VAL 4 HA VAL 4 -11.319 -9.939 -6.760 888 HB VAL 4 HB VAL 4 -14.240 -9.436 -7.337 889 1HG1 VAL 4 1HG1 VAL 4 -12.623 -7.608 -6.458 890 2HG1 VAL 4 2HG1 VAL 4 -13.658 -7.253 -7.841 891 3HG1 VAL 4 3HG1 VAL 4 -11.959 -7.655 -8.090 892 1HG2 VAL 4 1HG2 VAL 4 -13.688 -10.640 -9.208 893 2HG2 VAL 4 2HG2 VAL 4 -11.985 -10.189 -9.131 894 3HG2 VAL 4 3HG2 VAL 4 -13.180 -9.028 -9.710 895 H ASP 5 H ASP 5 -10.985 -8.845 -4.930 896 HA ASP 5 HA ASP 5 -13.035 -9.015 -2.820 897 1HB ASP 5 2HB ASP 5 -10.795 -10.205 -2.464 898 2HB ASP 5 1HB ASP 5 -10.094 -8.595 -2.328 899 HA PRO 6 HA PRO 6 -12.988 -4.545 -3.722 900 1HB PRO 6 2HB PRO 6 -15.181 -3.958 -2.205 901 2HB PRO 6 1HB PRO 6 -15.272 -4.559 -3.864 902 1HG PRO 6 2HG PRO 6 -15.561 -6.056 -1.289 903 2HG PRO 6 1HG PRO 6 -16.522 -6.186 -2.774 904 1HD PRO 6 2HD PRO 6 -14.602 -7.969 -2.163 905 2HD PRO 6 1HD PRO 6 -14.933 -7.485 -3.840 906 H ALA 7 H ALA 7 -11.497 -3.408 -2.699 907 HA ALA 7 HA ALA 7 -10.394 -2.237 -1.089 908 1HB ALA 7 1HB ALA 7 -11.802 -2.323 1.254 909 2HB ALA 7 2HB ALA 7 -13.067 -2.565 0.049 910 3HB ALA 7 3HB ALA 7 -12.032 -1.139 -0.033 911 H VAL 8 H VAL 8 -11.996 -4.804 0.763 912 HA VAL 8 HA VAL 8 -11.221 -6.529 2.029 913 HB VAL 8 HB VAL 8 -8.366 -6.453 1.352 914 1HG1 VAL 8 1HG1 VAL 8 -9.133 -8.859 0.605 915 2HG1 VAL 8 2HG1 VAL 8 -10.559 -8.432 1.553 916 3HG1 VAL 8 3HG1 VAL 8 -8.963 -8.416 2.303 917 1HG2 VAL 8 1HG2 VAL 8 -10.315 -6.315 -0.847 918 2HG2 VAL 8 2HG2 VAL 8 -9.082 -7.572 -0.963 919 3HG2 VAL 8 3HG2 VAL 8 -8.607 -5.886 -0.791 920 H GLU 9 H GLU 9 -8.451 -4.339 1.723 921 HA GLU 9 HA GLU 9 -8.179 -4.343 4.634 922 1HB GLU 9 2HB GLU 9 -6.153 -3.130 2.802 923 2HB GLU 9 1HB GLU 9 -5.928 -3.935 4.337 924 1HG GLU 9 2HG GLU 9 -6.535 -6.085 3.184 925 2HG GLU 9 1HG GLU 9 -6.423 -5.195 1.666 926 H GLU 10 H GLU 10 -10.024 -2.856 4.813 927 HA GLU 10 HA GLU 10 -10.028 -0.269 3.720 928 1HB GLU 10 2HB GLU 10 -11.989 -1.387 4.778 929 2HB GLU 10 1HB GLU 10 -11.235 -1.150 6.348 930 1HG GLU 10 2HG GLU 10 -11.375 1.324 4.868 931 2HG GLU 10 1HG GLU 10 -12.963 0.580 5.037 932 H ALA 11 H ALA 11 -8.680 1.362 4.072 933 HA ALA 11 HA ALA 11 -7.010 1.339 6.472 934 1HB ALA 11 1HB ALA 11 -6.199 1.669 4.002 935 2HB ALA 11 2HB ALA 11 -5.456 2.574 5.321 936 3HB ALA 11 3HB ALA 11 -6.665 3.345 4.295 937 H ALA 12 H ALA 12 -6.859 3.069 7.884 938 HA ALA 12 HA ALA 12 -7.591 4.811 9.149 939 1HB ALA 12 1HB ALA 12 -8.290 6.795 8.069 940 2HB ALA 12 2HB ALA 12 -8.879 5.910 6.663 941 3HB ALA 12 3HB ALA 12 -7.147 6.018 6.975 942 H PHE 13 H PHE 13 -9.399 5.504 10.328 943 HA PHE 13 HA PHE 13 -12.013 4.485 9.503 944 1HB PHE 13 2HB PHE 13 -10.605 2.934 11.145 945 2HB PHE 13 1HB PHE 13 -11.244 4.048 12.349 946 HD1 PHE 13 1HD PHE 13 -12.555 2.248 9.350 947 HD2 PHE 13 2HD PHE 13 -13.111 3.302 13.435 948 HE1 PHE 13 1HE PHE 13 -14.668 0.987 9.383 949 HE2 PHE 13 2HE PHE 13 -15.224 2.041 13.476 950 HZ PHE 13 HZ PHE 13 -16.005 0.882 11.449 951 H VAL 14 H VAL 14 -10.751 7.162 9.778 952 HA VAL 14 HA VAL 14 -12.666 8.300 11.709 953 HB VAL 14 HB VAL 14 -9.985 9.504 11.022 954 1HG1 VAL 14 1HG1 VAL 14 -12.100 10.197 13.052 955 2HG1 VAL 14 2HG1 VAL 14 -11.546 11.178 11.695 956 3HG1 VAL 14 3HG1 VAL 14 -10.471 10.873 13.060 957 1HG2 VAL 14 1HG2 VAL 14 -9.643 7.421 12.227 958 2HG2 VAL 14 2HG2 VAL 14 -10.792 7.931 13.466 959 3HG2 VAL 14 3HG2 VAL 14 -9.271 8.800 13.263 960 H ALA 15 H ALA 15 -13.570 10.344 11.156 961 HA ALA 15 HA ALA 15 -14.566 11.825 9.744 962 1HB ALA 15 1HB ALA 15 -11.996 12.250 9.392 963 2HB ALA 15 2HB ALA 15 -13.193 13.028 8.356 964 3HB ALA 15 3HB ALA 15 -12.330 11.599 7.788 965 H ASP 16 H ASP 16 -15.835 9.640 9.472 966 HA ASP 16 HA ASP 16 -15.702 8.156 7.121 967 1HB ASP 16 2HB ASP 16 -18.241 8.831 8.612 968 2HB ASP 16 1HB ASP 16 -17.933 7.411 7.618 969 H ASP 17 H ASP 17 -17.003 11.334 7.700 970 HA ASP 17 HA ASP 17 -18.758 11.613 5.565 971 1HB ASP 17 2HB ASP 17 -17.032 13.541 7.079 972 2HB ASP 17 1HB ASP 17 -17.939 14.095 5.674 973 H VAL 18 H VAL 18 -15.274 12.342 5.664 974 HA VAL 18 HA VAL 18 -15.189 12.853 2.824 975 HB VAL 18 HB VAL 18 -12.849 12.498 4.699 976 1HG1 VAL 18 1HG1 VAL 18 -13.195 13.478 1.911 977 2HG1 VAL 18 2HG1 VAL 18 -11.910 12.496 2.614 978 3HG1 VAL 18 3HG1 VAL 18 -11.962 14.231 2.922 979 1HG2 VAL 18 1HG2 VAL 18 -12.863 14.943 4.934 980 2HG2 VAL 18 2HG2 VAL 18 -14.325 14.209 5.592 981 3HG2 VAL 18 3HG2 VAL 18 -14.372 15.013 4.022 982 H SER 19 H SER 19 -14.508 10.207 4.999 983 HA SER 19 HA SER 19 -12.914 8.601 3.386 984 1HB SER 19 2HB SER 19 -13.838 8.341 5.877 985 2HB SER 19 1HB SER 19 -14.979 7.271 5.065 986 HG SER 19 HG SER 19 -13.398 5.911 4.591 987 H ASN 20 H ASN 20 -16.446 8.874 3.500 988 HA ASN 20 HA ASN 20 -16.904 6.758 1.656 989 1HB ASN 20 2HB ASN 20 -19.204 7.562 1.575 990 2HB ASN 20 1HB ASN 20 -18.629 7.529 3.237 991 1HD2 ASN 20 1HD2 ASN 20 -18.930 9.276 4.409 992 2HD2 ASN 20 2HD2 ASN 20 -19.291 10.854 3.804 993 H ILE 21 H ILE 21 -16.594 10.262 1.313 994 HA ILE 21 HA ILE 21 -17.393 10.552 -1.338 995 HB ILE 21 HB ILE 21 -15.236 12.085 0.136 996 1HG1 ILE 21 2HG1 ILE 21 -18.172 12.694 -0.240 997 2HG1 ILE 21 1HG1 ILE 21 -17.441 12.095 1.244 998 1HG2 ILE 21 1HG2 ILE 21 -15.655 13.890 -1.458 999 2HG2 ILE 21 2HG2 ILE 21 -16.788 12.861 -2.333 1000 3HG2 ILE 21 3HG2 ILE 21 -15.077 12.438 -2.274 1001 1HD1 ILE 21 1HD1 ILE 21 -16.915 14.740 -0.082 1002 2HD1 ILE 21 2HD1 ILE 21 -16.070 14.141 1.345 1003 3HD1 ILE 21 3HD1 ILE 21 -17.802 14.460 1.415 1004 H ILE 22 H ILE 22 -14.060 10.058 -0.119 1005 HA ILE 22 HA ILE 22 -12.857 9.952 -2.640 1006 HB ILE 22 HB ILE 22 -11.577 10.262 -0.570 1007 1HG1 ILE 22 2HG1 ILE 22 -9.735 8.556 -1.130 1008 2HG1 ILE 22 1HG1 ILE 22 -10.824 7.985 -2.390 1009 1HG2 ILE 22 1HG2 ILE 22 -12.822 8.603 0.785 1010 2HG2 ILE 22 2HG2 ILE 22 -11.070 8.456 0.919 1011 3HG2 ILE 22 3HG2 ILE 22 -11.977 7.319 -0.079 1012 1HD1 ILE 22 1HD1 ILE 22 -10.852 10.268 -3.335 1013 2HD1 ILE 22 2HD1 ILE 22 -9.252 9.524 -3.335 1014 3HD1 ILE 22 3HD1 ILE 22 -9.658 10.744 -2.127 1015 H LYS 23 H LYS 23 -13.973 7.241 -0.571 1016 HA LYS 23 HA LYS 23 -13.212 5.245 -2.369 1017 1HB LYS 23 2HB LYS 23 -15.120 5.361 -0.074 1018 2HB LYS 23 1HB LYS 23 -15.104 3.942 -1.113 1019 1HG LYS 23 2HG LYS 23 -12.809 3.518 -0.607 1020 2HG LYS 23 1HG LYS 23 -12.676 5.040 0.276 1021 1HD LYS 23 2HD LYS 23 -13.568 4.168 2.137 1022 2HD LYS 23 1HD LYS 23 -14.847 3.345 1.246 1023 1HE LYS 23 2HE LYS 23 -13.752 1.400 1.262 1024 2HE LYS 23 1HE LYS 23 -12.223 2.157 0.821 1025 1HZ LYS 23 1HZ LYS 23 -13.380 1.817 3.523 1026 2HZ LYS 23 2HZ LYS 23 -12.122 2.907 3.218 1027 3HZ LYS 23 3HZ LYS 23 -11.894 1.253 2.940 1028 H GLU 24 H GLU 24 -16.312 6.868 -1.843 1029 HA GLU 24 HA GLU 24 -17.844 5.529 -3.749 1030 1HB GLU 24 2HB GLU 24 -17.948 8.279 -2.557 1031 2HB GLU 24 1HB GLU 24 -19.021 7.884 -3.883 1032 1HG GLU 24 2HG GLU 24 -19.432 5.759 -2.269 1033 2HG GLU 24 1HG GLU 24 -19.078 7.015 -1.083 1034 H SER 25 H SER 25 -15.552 8.152 -4.065 1035 HA SER 25 HA SER 25 -16.145 8.825 -6.750 1036 1HB SER 25 2HB SER 25 -13.756 9.289 -4.968 1037 2HB SER 25 1HB SER 25 -13.749 9.788 -6.660 1038 HG SER 25 HG SER 25 -15.703 10.975 -6.159 1039 H ILE 26 H ILE 26 -13.677 6.661 -5.295 1040 HA ILE 26 HA ILE 26 -12.440 5.926 -7.710 1041 HB ILE 26 HB ILE 26 -12.659 4.599 -5.028 1042 1HG1 ILE 26 2HG1 ILE 26 -10.115 4.723 -5.382 1043 2HG1 ILE 26 1HG1 ILE 26 -10.505 5.754 -6.755 1044 1HG2 ILE 26 1HG2 ILE 26 -12.638 2.569 -6.090 1045 2HG2 ILE 26 2HG2 ILE 26 -10.908 2.917 -6.096 1046 3HG2 ILE 26 3HG2 ILE 26 -11.872 3.213 -7.543 1047 1HD1 ILE 26 1HD1 ILE 26 -11.712 7.257 -5.258 1048 2HD1 ILE 26 2HD1 ILE 26 -10.009 7.091 -4.830 1049 3HD1 ILE 26 3HD1 ILE 26 -11.241 6.248 -3.891 1050 H ASP 27 H ASP 27 -15.224 4.555 -6.026 1051 HA ASP 27 HA ASP 27 -15.730 2.353 -7.614 1052 1HB ASP 27 2HB ASP 27 -16.973 2.901 -5.550 1053 2HB ASP 27 1HB ASP 27 -17.753 4.237 -6.384 1054 H ALA 28 H ALA 28 -16.464 5.735 -8.183 1055 HA ALA 28 HA ALA 28 -17.856 5.145 -10.676 1056 1HB ALA 28 1HB ALA 28 -17.327 7.659 -9.116 1057 2HB ALA 28 2HB ALA 28 -18.870 6.871 -9.448 1058 3HB ALA 28 3HB ALA 28 -18.006 7.700 -10.744 1059 H VAL 29 H VAL 29 -14.923 6.805 -9.616 1060 HA VAL 29 HA VAL 29 -14.066 7.552 -12.190 1061 HB VAL 29 HB VAL 29 -13.172 7.874 -9.435 1062 1HG1 VAL 29 1HG1 VAL 29 -11.053 7.433 -11.475 1063 2HG1 VAL 29 2HG1 VAL 29 -11.114 6.951 -9.780 1064 3HG1 VAL 29 3HG1 VAL 29 -10.855 8.628 -10.202 1065 1HG2 VAL 29 1HG2 VAL 29 -13.895 9.452 -11.616 1066 2HG2 VAL 29 2HG2 VAL 29 -12.218 9.861 -11.266 1067 3HG2 VAL 29 3HG2 VAL 29 -13.438 9.985 -10.000 1068 H LEU 30 H LEU 30 -14.206 4.496 -10.827 1069 HA LEU 30 HA LEU 30 -12.119 3.580 -12.674 1070 1HB LEU 30 2HB LEU 30 -12.720 2.620 -9.900 1071 2HB LEU 30 1HB LEU 30 -11.994 1.543 -11.078 1072 HG LEU 30 HG LEU 30 -10.234 2.495 -9.747 1073 1HD1 LEU 30 1HD1 LEU 30 -10.047 2.358 -12.323 1074 2HD1 LEU 30 2HD1 LEU 30 -8.829 3.263 -11.421 1075 3HD1 LEU 30 3HD1 LEU 30 -10.128 4.118 -12.251 1076 1HD2 LEU 30 1HD2 LEU 30 -10.868 5.245 -10.650 1077 2HD2 LEU 30 2HD2 LEU 30 -9.999 4.703 -9.215 1078 3HD2 LEU 30 3HD2 LEU 30 -11.756 4.579 -9.282 1079 H GLN 31 H GLN 31 -15.304 2.884 -11.215 1080 HA GLN 31 HA GLN 31 -15.682 0.582 -12.922 1081 1HB GLN 31 2HB GLN 31 -16.732 0.940 -10.611 1082 2HB GLN 31 1HB GLN 31 -17.865 1.992 -11.436 1083 1HG GLN 31 2HG GLN 31 -18.655 0.238 -12.792 1084 2HG GLN 31 1HG GLN 31 -17.398 -0.838 -12.204 1085 1HE2 GLN 31 1HE2 GLN 31 -17.700 -1.949 -10.346 1086 2HE2 GLN 31 2HE2 GLN 31 -19.132 -1.859 -9.384 1087 H ASN 32 H ASN 32 -16.028 3.959 -13.322 1088 HA ASN 32 HA ASN 32 -18.192 4.467 -14.836 1089 1HB ASN 32 2HB ASN 32 -16.697 5.996 -16.211 1090 2HB ASN 32 1HB ASN 32 -16.638 6.216 -14.465 1091 1HD2 ASN 32 1HD2 ASN 32 -14.643 6.711 -13.908 1092 2HD2 ASN 32 2HD2 ASN 32 -13.209 5.938 -14.470 1093 H GLN 33 H GLN 33 -15.465 2.505 -15.877 1094 HA GLN 33 HA GLN 33 -17.033 1.644 -18.166 1095 1HB GLN 33 2HB GLN 33 -15.796 3.487 -19.110 1096 2HB GLN 33 1HB GLN 33 -14.287 2.865 -18.461 1097 1HG GLN 33 2HG GLN 33 -13.960 1.830 -20.386 1098 2HG GLN 33 1HG GLN 33 -15.326 0.784 -19.999 1099 1HE2 GLN 33 1HE2 GLN 33 -17.475 1.596 -20.637 1100 2HE2 GLN 33 2HE2 GLN 33 -17.607 2.479 -22.115 1101 H GLN 34 H GLN 34 -13.550 1.076 -18.008 1102 HA GLN 34 HA GLN 34 -14.005 -1.545 -16.802 1103 1HB GLN 34 2HB GLN 34 -13.976 -1.349 -19.502 1104 2HB GLN 34 1HB GLN 34 -12.260 -1.574 -19.188 1105 1HG GLN 34 2HG GLN 34 -13.379 -3.497 -17.611 1106 2HG GLN 34 1HG GLN 34 -14.474 -3.466 -18.992 1107 1HE2 GLN 34 1HE2 GLN 34 -10.970 -3.015 -18.686 1108 2HE2 GLN 34 2HE2 GLN 34 -10.539 -4.254 -19.809 1109 H TYR 35 H TYR 35 -11.697 -2.731 -16.847 1110 HA TYR 35 HA TYR 35 -9.949 -0.946 -15.358 1111 1HB TYR 35 2HB TYR 35 -10.381 -3.042 -14.303 1112 2HB TYR 35 1HB TYR 35 -10.031 -3.937 -15.773 1113 HD1 TYR 35 1HD TYR 35 -8.103 -1.321 -13.901 1114 HD2 TYR 35 2HD TYR 35 -8.215 -5.301 -15.406 1115 HE1 TYR 35 1HE TYR 35 -5.794 -1.679 -13.127 1116 HE2 TYR 35 2HE TYR 35 -5.907 -5.666 -14.636 1117 HH TYR 35 HH TYR 35 -3.818 -3.799 -14.148 1118 H SER 36 H SER 36 -8.534 0.208 -16.485 1119 HA SER 36 HA SER 36 -6.916 -1.150 -18.526 1120 1HB SER 36 2HB SER 36 -8.590 1.270 -18.846 1121 2HB SER 36 1HB SER 36 -6.965 1.372 -19.524 1122 HG SER 36 HG SER 36 -9.112 0.070 -20.473 1123 H GLU 37 H GLU 37 -4.774 -0.880 -18.229 1124 HA GLU 37 HA GLU 37 -3.764 0.391 -15.952 1125 1HB GLU 37 2HB GLU 37 -2.597 -1.428 -17.136 1126 2HB GLU 37 1HB GLU 37 -2.264 -0.330 -18.472 1127 1HG GLU 37 2HG GLU 37 -0.423 0.347 -17.466 1128 2HG GLU 37 1HG GLU 37 -1.371 0.926 -16.105 1129 H ALA 38 H ALA 38 -3.981 1.516 -19.298 1130 HA ALA 38 HA ALA 38 -2.447 3.839 -19.076 1131 1HB ALA 38 1HB ALA 38 -3.668 4.648 -21.013 1132 2HB ALA 38 2HB ALA 38 -4.912 3.424 -20.760 1133 3HB ALA 38 3HB ALA 38 -3.276 2.939 -21.205 1134 H LYS 39 H LYS 39 -5.664 3.135 -17.985 1135 HA LYS 39 HA LYS 39 -6.062 5.935 -17.233 1136 1HB LYS 39 2HB LYS 39 -7.840 3.668 -17.869 1137 2HB LYS 39 1HB LYS 39 -8.386 4.744 -16.599 1138 1HG LYS 39 2HG LYS 39 -9.309 5.767 -18.381 1139 2HG LYS 39 1HG LYS 39 -7.757 6.599 -18.345 1140 1HD LYS 39 2HD LYS 39 -8.239 5.938 -20.603 1141 2HD LYS 39 1HD LYS 39 -6.908 4.953 -19.993 1142 1HE LYS 39 2HE LYS 39 -8.262 3.066 -19.760 1143 2HE LYS 39 1HE LYS 39 -9.747 4.011 -19.831 1144 1HZ LYS 39 1HZ LYS 39 -9.304 2.753 -21.879 1145 2HZ LYS 39 2HZ LYS 39 -7.879 3.633 -22.107 1146 3HZ LYS 39 3HZ LYS 39 -9.373 4.422 -22.154 1147 H VAL 40 H VAL 40 -5.130 2.944 -15.923 1148 HA VAL 40 HA VAL 40 -6.173 2.849 -13.390 1149 HB VAL 40 HB VAL 40 -3.659 1.916 -14.657 1150 1HG1 VAL 40 1HG1 VAL 40 -2.748 2.777 -12.551 1151 2HG1 VAL 40 2HG1 VAL 40 -2.684 1.017 -12.630 1152 3HG1 VAL 40 3HG1 VAL 40 -3.923 1.811 -11.658 1153 1HG2 VAL 40 1HG2 VAL 40 -5.569 0.456 -12.866 1154 2HG2 VAL 40 2HG2 VAL 40 -4.446 -0.221 -14.046 1155 3HG2 VAL 40 3HG2 VAL 40 -5.849 0.699 -14.589 1156 H SER 41 H SER 41 -3.759 5.049 -14.644 1157 HA SER 41 HA SER 41 -3.354 6.181 -11.966 1158 1HB SER 41 2HB SER 41 -1.833 6.725 -14.526 1159 2HB SER 41 1HB SER 41 -1.430 7.353 -12.928 1160 HG SER 41 HG SER 41 -0.404 5.278 -13.844 1161 H GLN 42 H GLN 42 -4.529 6.946 -15.188 1162 HA GLN 42 HA GLN 42 -4.874 9.728 -14.673 1163 1HB GLN 42 2HB GLN 42 -5.890 7.850 -16.785 1164 2HB GLN 42 1HB GLN 42 -6.510 9.491 -16.683 1165 1HG GLN 42 2HG GLN 42 -4.654 9.172 -18.310 1166 2HG GLN 42 1HG GLN 42 -4.366 10.420 -17.098 1167 1HE2 GLN 42 1HE2 GLN 42 -3.060 7.804 -18.654 1168 2HE2 GLN 42 2HE2 GLN 42 -1.772 7.445 -17.562 1169 H TRP 43 H TRP 43 -6.879 6.895 -14.171 1170 HA TRP 43 HA TRP 43 -9.305 8.226 -13.782 1171 1HB TRP 43 2HB TRP 43 -8.228 5.589 -12.925 1172 2HB TRP 43 1HB TRP 43 -9.707 6.167 -12.175 1173 HD1 TRP 43 HD TRP 43 -9.183 3.677 -14.299 1174 HE1 TRP 43 1HE TRP 43 -10.769 3.518 -16.291 1175 HE3 TRP 43 3HE TRP 43 -11.052 8.467 -14.318 1176 HZ2 TRP 43 2HZ TRP 43 -12.573 5.146 -17.701 1177 HZ3 TRP 43 3HZ TRP 43 -12.704 9.062 -16.026 1178 HH2 TRP 43 HH TRP 43 -13.454 7.436 -17.682 1179 H THR 44 H THR 44 -6.932 7.122 -11.370 1180 HA THR 44 HA THR 44 -8.244 8.092 -9.136 1181 HB THR 44 HB THR 44 -6.197 6.616 -9.216 1182 HG1 THR 44 1HG THR 44 -7.037 7.427 -7.275 1183 1HG2 THR 44 1HG2 THR 44 -4.833 9.257 -9.523 1184 2HG2 THR 44 2HG2 THR 44 -4.573 7.761 -10.418 1185 3HG2 THR 44 3HG2 THR 44 -4.059 7.883 -8.736 1186 H SER 45 H SER 45 -6.519 9.820 -11.564 1187 HA SER 45 HA SER 45 -6.165 12.230 -10.045 1188 1HB SER 45 2HB SER 45 -5.432 11.299 -12.648 1189 2HB SER 45 1HB SER 45 -6.328 12.803 -12.841 1190 HG SER 45 HG SER 45 -3.827 12.381 -11.842 1191 H SER 46 H SER 46 -8.526 10.865 -12.256 1192 HA SER 46 HA SER 46 -10.299 13.088 -12.305 1193 1HB SER 46 2HB SER 46 -10.465 10.206 -13.065 1194 2HB SER 46 1HB SER 46 -11.977 11.077 -12.819 1195 HG SER 46 HG SER 46 -11.665 12.075 -14.637 1196 H CYS 47 H CYS 47 -9.804 10.328 -10.212 1197 HA CYS 47 HA CYS 47 -12.125 10.535 -8.626 1198 1HB CYS 47 2HB CYS 47 -10.909 8.567 -8.224 1199 2HB CYS 47 1HB CYS 47 -9.375 9.398 -8.231 1200 HG CYS 47 HG CYS 47 -9.478 9.281 -5.796 1201 H LEU 48 H LEU 48 -8.914 11.949 -8.426 1202 HA LEU 48 HA LEU 48 -9.238 13.373 -6.062 1203 1HB LEU 48 2HB LEU 48 -7.424 13.505 -8.403 1204 2HB LEU 48 1HB LEU 48 -7.473 14.909 -7.358 1205 HG LEU 48 HG LEU 48 -6.430 13.843 -5.633 1206 1HD1 LEU 48 1HD1 LEU 48 -7.716 11.305 -6.610 1207 2HD1 LEU 48 2HD1 LEU 48 -7.998 12.164 -5.100 1208 3HD1 LEU 48 3HD1 LEU 48 -6.476 11.315 -5.356 1209 1HD2 LEU 48 1HD2 LEU 48 -5.560 12.488 -8.157 1210 2HD2 LEU 48 2HD2 LEU 48 -4.796 12.108 -6.615 1211 3HD2 LEU 48 3HD2 LEU 48 -4.753 13.757 -7.237 1212 H GLU 49 H GLU 49 -10.125 14.170 -9.373 1213 HA GLU 49 HA GLU 49 -10.949 16.817 -8.595 1214 1HB GLU 49 2HB GLU 49 -10.213 16.174 -10.955 1215 2HB GLU 49 1HB GLU 49 -11.822 15.469 -11.129 1216 1HG GLU 49 2HG GLU 49 -12.642 17.750 -10.254 1217 2HG GLU 49 1HG GLU 49 -11.055 18.329 -10.727 1218 H HIS 50 H HIS 50 -12.369 13.656 -8.964 1219 HA HIS 50 HA HIS 50 -15.067 14.619 -8.534 1220 1HB HIS 50 2HB HIS 50 -13.859 11.876 -8.858 1221 2HB HIS 50 1HB HIS 50 -15.546 12.102 -8.410 1222 HD1 HIS 50 1HD HIS 50 -16.922 13.681 -10.215 1223 HD2 HIS 50 2HD HIS 50 -13.455 11.806 -11.532 1224 HE1 HIS 50 1HE HIS 50 -17.068 13.685 -12.725 1225 HE2 HIS 50 2HE HIS 50 -15.001 12.470 -13.497 1226 H CYS 51 H CYS 51 -12.505 14.356 -6.531 1227 HA CYS 51 HA CYS 51 -14.081 13.439 -4.228 1228 1HB CYS 51 2HB CYS 51 -11.767 12.338 -4.820 1229 2HB CYS 51 1HB CYS 51 -11.075 13.828 -4.193 1230 HG CYS 51 HG CYS 51 -12.210 13.241 -1.875 1231 H ILE 52 H ILE 52 -11.926 15.873 -5.520 1232 HA ILE 52 HA ILE 52 -12.069 17.678 -3.348 1233 HB ILE 52 HB ILE 52 -10.271 17.610 -5.080 1234 1HG1 ILE 52 2HG1 ILE 52 -10.526 19.576 -3.669 1235 2HG1 ILE 52 1HG1 ILE 52 -9.914 19.979 -5.269 1236 1HG2 ILE 52 1HG2 ILE 52 -11.909 17.375 -6.987 1237 2HG2 ILE 52 2HG2 ILE 52 -10.517 18.422 -7.240 1238 3HG2 ILE 52 3HG2 ILE 52 -12.092 19.123 -6.882 1239 1HD1 ILE 52 1HD1 ILE 52 -11.439 21.598 -5.105 1240 2HD1 ILE 52 2HD1 ILE 52 -12.441 20.694 -3.970 1241 3HD1 ILE 52 3HD1 ILE 52 -12.509 20.326 -5.693 1242 H LYS 53 H LYS 53 -13.770 17.444 -6.483 1243 HA LYS 53 HA LYS 53 -15.331 19.749 -6.260 1244 1HB LYS 53 2HB LYS 53 -15.483 17.234 -7.826 1245 2HB LYS 53 1HB LYS 53 -16.977 18.138 -7.672 1246 1HG LYS 53 2HG LYS 53 -15.678 18.648 -9.723 1247 2HG LYS 53 1HG LYS 53 -16.016 20.052 -8.721 1248 1HD LYS 53 2HD LYS 53 -13.493 18.714 -8.110 1249 2HD LYS 53 1HD LYS 53 -13.577 19.403 -9.729 1250 1HE LYS 53 2HE LYS 53 -14.524 21.087 -7.479 1251 2HE LYS 53 1HE LYS 53 -12.788 20.821 -7.615 1252 1HZ LYS 53 1HZ LYS 53 -14.334 21.658 -9.974 1253 2HZ LYS 53 2HZ LYS 53 -12.693 21.888 -9.637 1254 3HZ LYS 53 3HZ LYS 53 -13.859 22.807 -8.827 1255 H ARG 54 H ARG 54 -15.759 16.541 -4.916 1256 HA ARG 54 HA ARG 54 -18.454 16.978 -4.059 1257 1HB ARG 54 2HB ARG 54 -16.819 14.771 -4.339 1258 2HB ARG 54 1HB ARG 54 -16.939 14.947 -2.595 1259 1HG ARG 54 2HG ARG 54 -19.306 14.838 -4.445 1260 2HG ARG 54 1HG ARG 54 -18.642 13.444 -3.589 1261 1HD ARG 54 2HD ARG 54 -19.517 14.080 -1.622 1262 2HD ARG 54 1HD ARG 54 -19.185 15.782 -1.901 1263 HE ARG 54 HE ARG 54 -21.304 16.032 -2.732 1264 1HH1 ARG 54 1HH1 ARG 54 -20.571 12.616 -2.546 1265 2HH1 ARG 54 2HH1 ARG 54 -22.190 12.127 -2.914 1266 1HH2 ARG 54 1HH2 ARG 54 -23.429 15.380 -3.215 1267 2HH2 ARG 54 2HH2 ARG 54 -23.810 13.692 -3.293 1268 H LEU 55 H LEU 55 -15.265 17.075 -2.540 1269 HA LEU 55 HA LEU 55 -16.073 17.576 0.088 1270 1HB LEU 55 2HB LEU 55 -13.594 18.292 -1.454 1271 2HB LEU 55 1HB LEU 55 -13.788 18.734 0.233 1272 HG LEU 55 HG LEU 55 -13.822 15.925 -0.864 1273 1HD1 LEU 55 1HD1 LEU 55 -11.817 16.787 1.110 1274 2HD1 LEU 55 2HD1 LEU 55 -11.635 17.443 -0.516 1275 3HD1 LEU 55 3HD1 LEU 55 -11.665 15.698 -0.267 1276 1HD2 LEU 55 1HD2 LEU 55 -15.275 15.938 0.968 1277 2HD2 LEU 55 2HD2 LEU 55 -14.251 17.045 1.881 1278 3HD2 LEU 55 3HD2 LEU 55 -13.731 15.381 1.612 1279 H THR 56 H THR 56 -15.802 19.666 -2.685 1280 HA THR 56 HA THR 56 -16.054 22.126 -1.253 1281 HB THR 56 HB THR 56 -16.163 23.173 -3.362 1282 HG1 THR 56 1HG THR 56 -17.690 22.329 -4.556 1283 1HG2 THR 56 1HG2 THR 56 -14.789 21.040 -4.684 1284 2HG2 THR 56 2HG2 THR 56 -14.246 21.163 -3.011 1285 3HG2 THR 56 3HG2 THR 56 -14.157 22.569 -4.073 1286 H ALA 57 H ALA 57 -18.225 19.806 -2.724 1287 HA ALA 57 HA ALA 57 -20.600 21.325 -2.630 1288 1HB ALA 57 1HB ALA 57 -21.051 19.490 -3.866 1289 2HB ALA 57 2HB ALA 57 -21.476 18.765 -2.315 1290 3HB ALA 57 3HB ALA 57 -19.875 18.499 -3.004 1291 H LEU 58 H LEU 58 -19.008 19.170 -0.336 1292 HA LEU 58 HA LEU 58 -21.048 19.436 1.665 1293 1HB LEU 58 2HB LEU 58 -18.525 17.985 1.309 1294 2HB LEU 58 1HB LEU 58 -18.818 18.493 2.958 1295 HG LEU 58 HG LEU 58 -19.655 16.269 2.710 1296 1HD1 LEU 58 1HD1 LEU 58 -21.661 16.573 3.721 1297 2HD1 LEU 58 2HD1 LEU 58 -22.220 17.732 2.515 1298 3HD1 LEU 58 3HD1 LEU 58 -21.094 18.242 3.772 1299 1HD2 LEU 58 1HD2 LEU 58 -20.895 15.473 0.963 1300 2HD2 LEU 58 2HD2 LEU 58 -19.960 16.714 0.129 1301 3HD2 LEU 58 3HD2 LEU 58 -21.622 17.042 0.618 1302 H ASN 59 H ASN 59 -18.097 21.080 0.816 1303 HA ASN 59 HA ASN 59 -16.893 22.762 1.770 1304 1HB ASN 59 2HB ASN 59 -18.278 24.711 2.440 1305 2HB ASN 59 1HB ASN 59 -18.760 24.013 0.898 1306 1HD2 ASN 59 1HD2 ASN 59 -19.702 24.794 4.079 1307 2HD2 ASN 59 2HD2 ASN 59 -21.325 24.213 3.988 1308 H LYS 60 H LYS 60 -16.077 21.245 3.421 1309 HA LYS 60 HA LYS 60 -16.053 22.426 5.960 1310 1HB LYS 60 2HB LYS 60 -18.359 21.335 5.965 1311 2HB LYS 60 1HB LYS 60 -17.520 19.791 5.972 1312 1HG LYS 60 2HG LYS 60 -17.817 20.042 8.202 1313 2HG LYS 60 1HG LYS 60 -16.283 20.899 8.038 1314 1HD LYS 60 2HD LYS 60 -17.329 23.005 8.122 1315 2HD LYS 60 1HD LYS 60 -18.926 22.314 7.828 1316 1HE LYS 60 2HE LYS 60 -18.553 23.018 10.183 1317 2HE LYS 60 1HE LYS 60 -18.964 21.312 10.004 1318 1HZ LYS 60 1HZ LYS 60 -16.917 20.655 10.667 1319 2HZ LYS 60 2HZ LYS 60 -16.953 22.133 11.488 1320 3HZ LYS 60 3HZ LYS 60 -16.128 22.004 10.017 1321 HA PRO 61 HA PRO 61 -14.799 22.563 7.506 1322 1HB PRO 61 2HB PRO 61 -11.949 22.885 7.721 1323 2HB PRO 61 1HB PRO 61 -13.083 22.404 8.970 1324 1HG PRO 61 2HG PRO 61 -11.178 20.743 7.914 1325 2HG PRO 61 1HG PRO 61 -12.687 20.180 8.651 1326 1HD PRO 61 2HD PRO 61 -11.997 20.511 5.756 1327 2HD PRO 61 1HD PRO 61 -12.910 19.212 6.557 1328 H PHE 62 H PHE 62 -11.692 22.873 5.802 1329 HA PHE 62 HA PHE 62 -12.836 24.880 4.018 1330 1HB PHE 62 2HB PHE 62 -10.630 25.391 6.007 1331 2HB PHE 62 1HB PHE 62 -10.827 26.376 4.562 1332 HD1 PHE 62 1HD PHE 62 -12.426 25.341 7.720 1333 HD2 PHE 62 2HD PHE 62 -12.497 28.041 4.431 1334 HE1 PHE 62 1HE PHE 62 -14.082 26.727 8.900 1335 HE2 PHE 62 2HE PHE 62 -14.153 29.432 5.605 1336 HZ PHE 62 HZ PHE 62 -14.946 28.776 7.842 1337 H LYS 63 H LYS 63 -9.596 23.733 4.990 1338 HA LYS 63 HA LYS 63 -8.947 23.379 2.158 1339 1HB LYS 63 2HB LYS 63 -7.463 24.660 3.846 1340 2HB LYS 63 1HB LYS 63 -6.992 23.066 4.418 1341 1HG LYS 63 2HG LYS 63 -6.802 23.757 1.515 1342 2HG LYS 63 1HG LYS 63 -5.543 24.254 2.647 1343 1HD LYS 63 2HD LYS 63 -6.237 21.476 3.034 1344 2HD LYS 63 1HD LYS 63 -5.792 21.783 1.356 1345 1HE LYS 63 2HE LYS 63 -3.715 22.863 2.141 1346 2HE LYS 63 1HE LYS 63 -4.155 22.456 3.798 1347 1HZ LYS 63 1HZ LYS 63 -2.852 20.683 3.306 1348 2HZ LYS 63 2HZ LYS 63 -3.194 20.725 1.649 1349 3HZ LYS 63 3HZ LYS 63 -4.318 20.066 2.728 1350 H TYR 64 H TYR 64 -9.155 21.462 1.289 1351 HA TYR 64 HA TYR 64 -8.813 19.076 2.986 1352 1HB TYR 64 2HB TYR 64 -10.331 18.720 0.478 1353 2HB TYR 64 1HB TYR 64 -10.650 18.085 2.086 1354 HD1 TYR 64 1HD TYR 64 -11.787 20.278 -0.402 1355 HD2 TYR 64 2HD TYR 64 -11.509 19.896 3.826 1356 HE1 TYR 64 1HE TYR 64 -13.610 21.908 -0.142 1357 HE2 TYR 64 2HE TYR 64 -13.331 21.524 4.097 1358 HH TYR 64 HH TYR 64 -14.296 23.463 2.678 1359 H VAL 65 H VAL 65 -7.499 17.454 2.270 1360 HA VAL 65 HA VAL 65 -6.024 18.002 -0.207 1361 HB VAL 65 HB VAL 65 -5.135 17.324 2.435 1362 1HG1 VAL 65 1HG1 VAL 65 -4.297 15.398 0.275 1363 2HG1 VAL 65 2HG1 VAL 65 -4.821 15.036 1.917 1364 3HG1 VAL 65 3HG1 VAL 65 -3.245 15.769 1.640 1365 1HG2 VAL 65 1HG2 VAL 65 -4.374 19.038 0.652 1366 2HG2 VAL 65 2HG2 VAL 65 -3.272 17.738 0.196 1367 3HG2 VAL 65 3HG2 VAL 65 -3.245 18.383 1.838 1368 H VAL 66 H VAL 66 -5.919 16.449 -1.784 1369 HA VAL 66 HA VAL 66 -7.110 13.835 -1.167 1370 HB VAL 66 HB VAL 66 -7.676 15.111 -3.817 1371 1HG1 VAL 66 1HG1 VAL 66 -9.504 13.284 -2.359 1372 2HG1 VAL 66 2HG1 VAL 66 -8.013 12.617 -3.018 1373 3HG1 VAL 66 3HG1 VAL 66 -9.168 13.411 -4.083 1374 1HG2 VAL 66 1HG2 VAL 66 -9.899 15.799 -2.908 1375 2HG2 VAL 66 2HG2 VAL 66 -8.546 16.741 -2.282 1376 3HG2 VAL 66 3HG2 VAL 66 -9.280 15.484 -1.286 1377 H THR 67 H THR 67 -5.450 12.461 -1.411 1378 HA THR 67 HA THR 67 -4.053 12.509 -3.987 1379 HB THR 67 HB THR 67 -2.439 13.493 -2.547 1380 HG1 THR 67 1HG THR 67 -0.876 12.159 -3.033 1381 1HG2 THR 67 1HG2 THR 67 -2.173 13.094 -0.385 1382 2HG2 THR 67 2HG2 THR 67 -2.103 11.349 -0.634 1383 3HG2 THR 67 3HG2 THR 67 -3.664 12.157 -0.485 1384 H CYS 68 H CYS 68 -3.196 10.501 -4.677 1385 HA CYS 68 HA CYS 68 -4.036 8.135 -3.196 1386 1HB CYS 68 2HB CYS 68 -5.916 8.808 -4.714 1387 2HB CYS 68 1HB CYS 68 -4.828 8.568 -6.074 1388 HG CYS 68 HG CYS 68 -6.454 6.452 -5.316 1389 H ILE 69 H ILE 69 -3.053 6.203 -3.908 1390 HA ILE 69 HA ILE 69 -0.847 6.441 -5.817 1391 HB ILE 69 HB ILE 69 -0.601 5.383 -2.997 1392 1HG1 ILE 69 2HG1 ILE 69 1.296 7.380 -4.056 1393 2HG1 ILE 69 1HG1 ILE 69 -0.345 7.947 -3.780 1394 1HG2 ILE 69 1HG2 ILE 69 0.735 3.880 -4.097 1395 2HG2 ILE 69 2HG2 ILE 69 1.887 5.176 -3.775 1396 3HG2 ILE 69 3HG2 ILE 69 1.154 5.025 -5.372 1397 1HD1 ILE 69 1HD1 ILE 69 0.271 6.525 -1.491 1398 2HD1 ILE 69 2HD1 ILE 69 0.250 8.279 -1.676 1399 3HD1 ILE 69 3HD1 ILE 69 1.756 7.388 -1.890 1400 H ILE 70 H ILE 70 -0.929 4.774 -7.216 1401 HA ILE 70 HA ILE 70 -2.550 2.442 -6.464 1402 HB ILE 70 HB ILE 70 -2.356 1.972 -9.027 1403 1HG1 ILE 70 2HG1 ILE 70 -2.300 4.042 -10.372 1404 2HG1 ILE 70 1HG1 ILE 70 -1.886 4.962 -8.931 1405 1HG2 ILE 70 1HG2 ILE 70 -4.379 3.335 -9.403 1406 2HG2 ILE 70 2HG2 ILE 70 -4.092 4.130 -7.855 1407 3HG2 ILE 70 3HG2 ILE 70 -4.431 2.400 -7.909 1408 1HD1 ILE 70 1HD1 ILE 70 -0.068 4.123 -10.649 1409 2HD1 ILE 70 2HD1 ILE 70 -0.149 2.678 -9.642 1410 3HD1 ILE 70 3HD1 ILE 70 0.257 4.235 -8.920 1411 H MET 71 H MET 71 -1.833 0.376 -6.641 1412 HA MET 71 HA MET 71 1.062 0.051 -7.047 1413 1HB MET 71 2HB MET 71 -0.795 -0.965 -5.045 1414 2HB MET 71 1HB MET 71 0.133 -2.258 -5.794 1415 1HG MET 71 2HG MET 71 2.098 -0.486 -5.314 1416 2HG MET 71 1HG MET 71 0.996 -0.097 -3.994 1417 1HE MET 71 1HE MET 71 4.151 -2.087 -4.510 1418 2HE MET 71 2HE MET 71 4.056 -2.446 -2.785 1419 3HE MET 71 3HE MET 71 3.721 -0.816 -3.367 1420 H GLN 72 H GLN 72 1.192 -0.379 -9.182 1421 HA GLN 72 HA GLN 72 -0.568 -1.797 -10.774 1422 1HB GLN 72 2HB GLN 72 1.741 -0.455 -11.206 1423 2HB GLN 72 1HB GLN 72 2.299 -2.107 -11.427 1424 1HG GLN 72 2HG GLN 72 0.537 -2.457 -13.103 1425 2HG GLN 72 1HG GLN 72 0.036 -0.780 -12.902 1426 1HE2 GLN 72 1HE2 GLN 72 2.441 -2.923 -14.176 1427 2HE2 GLN 72 2HE2 GLN 72 3.283 -1.751 -15.126 1428 H LYS 73 H LYS 73 -0.530 -3.899 -11.661 1429 HA LYS 73 HA LYS 73 0.203 -5.930 -9.738 1430 1HB LYS 73 2HB LYS 73 -1.974 -6.054 -10.836 1431 2HB LYS 73 1HB LYS 73 -1.198 -6.127 -12.410 1432 1HG LYS 73 2HG LYS 73 -1.933 -8.324 -11.761 1433 2HG LYS 73 1HG LYS 73 -0.171 -8.273 -11.785 1434 1HD LYS 73 2HD LYS 73 -0.784 -7.564 -9.191 1435 2HD LYS 73 1HD LYS 73 -2.002 -8.781 -9.572 1436 1HE LYS 73 2HE LYS 73 -0.172 -10.279 -10.347 1437 2HE LYS 73 1HE LYS 73 0.991 -9.077 -9.784 1438 1HZ LYS 73 1HZ LYS 73 -0.384 -9.349 -7.579 1439 2HZ LYS 73 2HZ LYS 73 0.877 -10.409 -7.963 1440 3HZ LYS 73 3HZ LYS 73 -0.728 -10.870 -8.237 1441 H ASN 74 H ASN 74 2.543 -5.526 -10.003 1442 HA ASN 74 HA ASN 74 3.690 -7.450 -11.779 1443 1HB ASN 74 2HB ASN 74 5.175 -5.855 -12.980 1444 2HB ASN 74 1HB ASN 74 3.475 -5.661 -13.395 1445 1HD2 ASN 74 1HD2 ASN 74 5.069 -3.638 -14.002 1446 2HD2 ASN 74 2HD2 ASN 74 4.843 -2.305 -12.926 1447 H GLY 75 H GLY 75 3.606 -6.826 -8.928 1448 1HA GLY 75 2HA GLY 75 5.010 -6.841 -7.114 1449 2HA GLY 75 1HA GLY 75 6.225 -7.466 -8.217 1450 H ALA 76 H ALA 76 4.751 -4.342 -8.705 1451 HA ALA 76 HA ALA 76 7.239 -3.015 -8.823 1452 1HB ALA 76 1HB ALA 76 5.263 -2.223 -10.025 1453 2HB ALA 76 2HB ALA 76 5.932 -0.961 -8.992 1454 3HB ALA 76 3HB ALA 76 4.483 -1.834 -8.493 1455 H GLY 77 H GLY 77 8.334 -1.760 -7.361 1456 1HA GLY 77 2HA GLY 77 7.210 -1.642 -4.630 1457 2HA GLY 77 1HA GLY 77 8.886 -2.075 -4.924 1458 H LEU 78 H LEU 78 6.736 0.431 -4.289 1459 HA LEU 78 HA LEU 78 8.887 2.389 -4.627 1460 1HB LEU 78 2HB LEU 78 7.381 2.588 -6.574 1461 2HB LEU 78 1HB LEU 78 6.031 2.852 -5.488 1462 HG LEU 78 HG LEU 78 8.347 4.695 -5.237 1463 1HD1 LEU 78 1HD1 LEU 78 8.108 5.779 -7.193 1464 2HD1 LEU 78 2HD1 LEU 78 6.372 5.480 -7.269 1465 3HD1 LEU 78 3HD1 LEU 78 7.505 4.221 -7.758 1466 1HD2 LEU 78 1HD2 LEU 78 6.117 6.197 -5.227 1467 2HD2 LEU 78 2HD2 LEU 78 6.763 5.400 -3.792 1468 3HD2 LEU 78 3HD2 LEU 78 5.447 4.652 -4.700 1469 H HIS 79 H HIS 79 9.244 2.504 -2.442 1470 HA HIS 79 HA HIS 79 7.051 2.910 -0.606 1471 1HB HIS 79 2HB HIS 79 9.990 2.490 -0.370 1472 2HB HIS 79 1HB HIS 79 9.172 3.304 0.959 1473 HD1 HIS 79 1HD HIS 79 8.942 1.587 2.731 1474 HD2 HIS 79 2HD HIS 79 7.966 0.089 -1.020 1475 HE1 HIS 79 1HE HIS 79 8.117 -0.753 3.136 1476 HE2 HIS 79 2HE HIS 79 7.457 -1.612 0.860 1477 H THR 80 H THR 80 6.195 4.807 -0.149 1478 HA THR 80 HA THR 80 7.634 7.251 -0.862 1479 HB THR 80 HB THR 80 4.756 6.876 -0.006 1480 HG1 THR 80 1HG THR 80 5.978 7.026 -2.549 1481 1HG2 THR 80 1HG2 THR 80 6.304 9.256 -0.892 1482 2HG2 THR 80 2HG2 THR 80 5.069 9.112 0.359 1483 3HG2 THR 80 3HG2 THR 80 4.606 9.107 -1.343 1484 H ALA 81 H ALA 81 7.775 9.037 0.619 1485 HA ALA 81 HA ALA 81 7.466 8.283 3.455 1486 1HB ALA 81 1HB ALA 81 9.838 9.823 2.421 1487 2HB ALA 81 2HB ALA 81 9.850 8.078 2.679 1488 3HB ALA 81 3HB ALA 81 9.590 9.168 4.040 1489 H ALA 82 H ALA 82 6.902 9.957 4.855 1490 HA ALA 82 HA ALA 82 6.798 12.662 3.896 1491 1HB ALA 82 1HB ALA 82 4.838 11.663 2.819 1492 2HB ALA 82 2HB ALA 82 4.422 12.948 3.954 1493 3HB ALA 82 3HB ALA 82 4.199 11.259 4.412 1494 H SER 83 H SER 83 6.766 14.121 5.436 1495 HA SER 83 HA SER 83 5.907 13.439 8.134 1496 1HB SER 83 2HB SER 83 8.438 13.013 7.821 1497 2HB SER 83 1HB SER 83 8.584 14.766 7.711 1498 HG SER 83 HG SER 83 8.770 13.639 9.875 1499 H CYS 84 H CYS 84 4.527 15.003 8.666 1500 HA CYS 84 HA CYS 84 4.885 17.658 7.465 1501 1HB CYS 84 2HB CYS 84 2.489 18.003 8.128 1502 2HB CYS 84 1HB CYS 84 2.743 16.716 6.954 1503 HG CYS 84 HG CYS 84 1.308 15.471 8.529 1504 H TRP 85 H TRP 85 4.390 19.540 8.759 1505 HA TRP 85 HA TRP 85 5.690 19.413 11.312 1506 1HB TRP 85 2HB TRP 85 5.480 21.342 9.448 1507 2HB TRP 85 1HB TRP 85 4.201 21.860 10.541 1508 HD1 TRP 85 HD TRP 85 7.945 20.861 10.814 1509 HE1 TRP 85 1HE TRP 85 9.034 22.380 12.575 1510 HE3 TRP 85 3HE TRP 85 3.824 23.517 12.261 1511 HZ2 TRP 85 2HZ TRP 85 8.258 24.436 14.350 1512 HZ3 TRP 85 3HZ TRP 85 4.082 25.243 13.997 1513 HH2 TRP 85 HH TRP 85 6.254 25.690 15.019 1514 H TRP 86 H TRP 86 4.514 20.939 13.071 1515 HA TRP 86 HA TRP 86 2.132 19.449 13.789 1516 1HB TRP 86 2HB TRP 86 3.884 21.413 15.255 1517 2HB TRP 86 1HB TRP 86 2.354 20.857 15.925 1518 HD1 TRP 86 HD TRP 86 4.449 18.334 14.009 1519 HE1 TRP 86 1HE TRP 86 5.409 16.611 15.664 1520 HE3 TRP 86 3HE TRP 86 3.152 20.613 18.397 1521 HZ2 TRP 86 2HZ TRP 86 5.592 16.265 18.460 1522 HZ3 TRP 86 3HZ TRP 86 3.756 19.520 20.518 1523 HH2 TRP 86 HH TRP 86 4.950 17.390 20.546 1524 H ASP 87 H ASP 87 0.100 20.226 13.928 1525 HA ASP 87 HA ASP 87 -0.680 22.900 14.084 1526 1HB ASP 87 2HB ASP 87 0.327 22.477 11.593 1527 2HB ASP 87 1HB ASP 87 -1.367 22.077 11.328 1528 H SER 88 H SER 88 -2.277 22.212 15.424 1529 HA SER 88 HA SER 88 -3.908 19.970 15.040 1530 1HB SER 88 2HB SER 88 -5.346 20.925 16.770 1531 2HB SER 88 1HB SER 88 -3.651 21.135 17.208 1532 HG SER 88 HG SER 88 -4.468 23.105 17.531 1533 H THR 89 H THR 89 -4.149 23.233 13.824 1534 HA THR 89 HA THR 89 -6.867 23.127 13.029 1535 HB THR 89 HB THR 89 -5.711 25.254 13.269 1536 HG1 THR 89 1HG THR 89 -7.417 24.996 11.668 1537 1HG2 THR 89 1HG2 THR 89 -3.515 24.276 12.249 1538 2HG2 THR 89 2HG2 THR 89 -3.914 25.985 12.068 1539 3HG2 THR 89 3HG2 THR 89 -4.206 24.865 10.737 1540 H THR 90 H THR 90 -3.841 22.588 11.230 1541 HA THR 90 HA THR 90 -5.378 21.517 8.999 1542 HB THR 90 HB THR 90 -3.406 21.798 7.674 1543 HG1 THR 90 1HG THR 90 -1.424 22.054 8.506 1544 1HG2 THR 90 1HG2 THR 90 -3.473 24.006 7.545 1545 2HG2 THR 90 2HG2 THR 90 -2.793 24.194 9.162 1546 3HG2 THR 90 3HG2 THR 90 -4.530 23.967 8.956 1547 H ASP 91 H ASP 91 -5.722 19.794 10.883 1548 HA ASP 91 HA ASP 91 -3.850 17.621 10.268 1549 1HB ASP 91 2HB ASP 91 -3.316 18.562 12.505 1550 2HB ASP 91 1HB ASP 91 -4.954 18.179 13.027 1551 H GLY 92 H GLY 92 -4.797 15.883 9.553 1552 1HA GLY 92 2HA GLY 92 -7.317 14.937 10.589 1553 2HA GLY 92 1HA GLY 92 -7.405 15.511 8.926 1554 H SER 93 H SER 93 -5.761 14.604 7.431 1555 HA SER 93 HA SER 93 -5.005 12.789 6.289 1556 1HB SER 93 2HB SER 93 -3.160 13.212 7.886 1557 2HB SER 93 1HB SER 93 -3.883 12.050 8.996 1558 HG SER 93 HG SER 93 -2.252 11.093 7.719 1559 H ARG 94 H ARG 94 -6.474 11.403 5.543 1560 HA ARG 94 HA ARG 94 -7.153 9.097 7.215 1561 1HB ARG 94 2HB ARG 94 -9.286 10.348 5.505 1562 2HB ARG 94 1HB ARG 94 -9.464 9.190 6.814 1563 1HG ARG 94 2HG ARG 94 -8.504 11.996 7.274 1564 2HG ARG 94 1HG ARG 94 -10.214 11.562 7.274 1565 1HD ARG 94 2HD ARG 94 -9.962 10.154 9.142 1566 2HD ARG 94 1HD ARG 94 -8.206 10.138 8.994 1567 HE ARG 94 HE ARG 94 -9.356 12.736 9.508 1568 1HH1 ARG 94 1HH1 ARG 94 -8.020 9.833 10.941 1569 2HH1 ARG 94 2HH1 ARG 94 -7.612 10.616 12.429 1570 1HH2 ARG 94 1HH2 ARG 94 -8.816 13.750 11.468 1571 2HH2 ARG 94 2HH2 ARG 94 -8.061 12.832 12.730 1572 H THR 95 H THR 95 -5.965 7.649 6.053 1573 HA THR 95 HA THR 95 -6.148 7.688 3.163 1574 HB THR 95 HB THR 95 -3.979 7.380 4.547 1575 HG1 THR 95 1HG THR 95 -3.122 6.632 2.749 1576 1HG2 THR 95 1HG2 THR 95 -3.267 5.192 5.002 1577 2HG2 THR 95 2HG2 THR 95 -4.706 4.488 4.264 1578 3HG2 THR 95 3HG2 THR 95 -4.836 5.369 5.786 1579 H VAL 96 H VAL 96 -6.717 5.920 1.873 1580 HA VAL 96 HA VAL 96 -8.267 3.802 3.205 1581 HB VAL 96 HB VAL 96 -9.191 5.142 0.662 1582 1HG1 VAL 96 1HG1 VAL 96 -11.375 4.020 1.736 1583 2HG1 VAL 96 2HG1 VAL 96 -10.142 2.926 2.366 1584 3HG1 VAL 96 3HG1 VAL 96 -10.298 3.171 0.626 1585 1HG2 VAL 96 1HG2 VAL 96 -9.614 6.892 2.048 1586 2HG2 VAL 96 2HG2 VAL 96 -9.672 5.879 3.492 1587 3HG2 VAL 96 3HG2 VAL 96 -11.050 5.929 2.393 1588 H ARG 97 H ARG 97 -8.223 1.793 2.149 1589 HA ARG 97 HA ARG 97 -6.338 1.645 -0.114 1590 1HB ARG 97 2HB ARG 97 -5.968 0.553 2.359 1591 2HB ARG 97 1HB ARG 97 -6.697 -0.793 1.494 1592 1HG ARG 97 2HG ARG 97 -4.660 -1.263 0.753 1593 2HG ARG 97 1HG ARG 97 -4.809 0.159 -0.279 1594 1HD ARG 97 2HD ARG 97 -3.028 0.984 0.771 1595 2HD ARG 97 1HD ARG 97 -4.046 1.171 2.198 1596 HE ARG 97 HE ARG 97 -3.233 -1.388 2.389 1597 1HH1 ARG 97 1HH1 ARG 97 -1.478 1.595 1.873 1598 2HH1 ARG 97 2HH1 ARG 97 -0.042 1.026 2.655 1599 1HH2 ARG 97 1HH2 ARG 97 -1.342 -2.126 3.416 1600 2HH2 ARG 97 2HH2 ARG 97 0.036 -1.082 3.529 1601 H TRP 98 H TRP 98 -7.401 1.265 -1.923 1602 HA TRP 98 HA TRP 98 -9.790 -0.448 -1.897 1603 1HB TRP 98 2HB TRP 98 -8.818 1.782 -3.567 1604 2HB TRP 98 1HB TRP 98 -9.469 0.452 -4.502 1605 HD1 TRP 98 HD TRP 98 -10.643 3.532 -3.897 1606 HE1 TRP 98 1HE TRP 98 -13.142 3.682 -3.330 1607 HE3 TRP 98 3HE TRP 98 -11.480 -1.310 -2.475 1608 HZ2 TRP 98 2HZ TRP 98 -15.176 2.037 -2.372 1609 HZ3 TRP 98 3HZ TRP 98 -13.744 -1.938 -1.743 1610 HH2 TRP 98 HH TRP 98 -15.557 -0.301 -1.697 1611 H GLU 99 H GLU 99 -9.869 -2.354 -3.014 1612 HA GLU 99 HA GLU 99 -7.654 -3.137 -4.719 1613 1HB GLU 99 2HB GLU 99 -8.484 -4.958 -2.478 1614 2HB GLU 99 1HB GLU 99 -7.093 -5.109 -3.538 1615 1HG GLU 99 2HG GLU 99 -6.278 -2.930 -2.490 1616 2HG GLU 99 1HG GLU 99 -7.505 -3.212 -1.256 1617 H ASN 100 H ASN 100 -8.177 -4.777 -6.179 1618 HA ASN 100 HA ASN 100 -10.988 -5.654 -6.140 1619 1HB ASN 100 2HB ASN 100 -10.774 -5.569 -8.721 1620 2HB ASN 100 1HB ASN 100 -11.039 -4.065 -7.847 1621 1HD2 ASN 100 1HD2 ASN 100 -9.135 -5.661 -10.086 1622 2HD2 ASN 100 2HD2 ASN 100 -7.835 -4.528 -10.177 1623 H LYS 101 H LYS 101 -7.905 -6.310 -7.847 1624 HA LYS 101 HA LYS 101 -7.735 -8.977 -6.980 1625 1HB LYS 101 2HB LYS 101 -9.614 -9.552 -8.271 1626 2HB LYS 101 1HB LYS 101 -9.148 -8.495 -9.591 1627 1HG LYS 101 2HG LYS 101 -7.305 -10.726 -9.015 1628 2HG LYS 101 1HG LYS 101 -8.892 -11.165 -9.652 1629 1HD LYS 101 2HD LYS 101 -7.031 -9.145 -10.903 1630 2HD LYS 101 1HD LYS 101 -7.179 -10.822 -11.420 1631 1HE LYS 101 2HE LYS 101 -9.788 -9.684 -11.302 1632 2HE LYS 101 1HE LYS 101 -8.740 -8.585 -12.194 1633 1HZ LYS 101 1HZ LYS 101 -8.149 -10.333 -13.689 1634 2HZ LYS 101 2HZ LYS 101 -9.836 -10.275 -13.597 1635 3HZ LYS 101 3HZ LYS 101 -8.987 -11.484 -12.776 1636 H SER 102 H SER 102 -7.100 -6.896 -9.794 1637 HA SER 102 HA SER 102 -4.583 -8.178 -10.323 1638 1HB SER 102 2HB SER 102 -5.763 -7.365 -12.223 1639 2HB SER 102 1HB SER 102 -5.952 -5.764 -11.508 1640 HG SER 102 HG SER 102 -4.101 -6.429 -13.134 1641 H MET 103 H MET 103 -5.342 -4.757 -9.658 1642 HA MET 103 HA MET 103 -2.774 -4.584 -8.214 1643 1HB MET 103 2HB MET 103 -2.951 -2.087 -8.943 1644 2HB MET 103 1HB MET 103 -2.368 -3.288 -10.087 1645 1HG MET 103 2HG MET 103 -4.433 -3.316 -11.239 1646 2HG MET 103 1HG MET 103 -5.232 -2.395 -9.967 1647 1HE MET 103 1HE MET 103 -2.262 -2.504 -12.210 1648 2HE MET 103 2HE MET 103 -1.957 -0.844 -12.725 1649 3HE MET 103 3HE MET 103 -3.227 -1.790 -13.502 1650 H TYR 104 H TYR 104 -2.786 -2.322 -6.971 1651 HA TYR 104 HA TYR 104 -5.269 -2.275 -5.371 1652 1HB TYR 104 2HB TYR 104 -2.527 -1.601 -4.308 1653 2HB TYR 104 1HB TYR 104 -3.999 -1.905 -3.394 1654 HD1 TYR 104 1HD TYR 104 -0.947 -3.265 -4.199 1655 HD2 TYR 104 2HD TYR 104 -5.059 -4.346 -4.039 1656 HE1 TYR 104 1HE TYR 104 -0.311 -5.630 -3.975 1657 HE2 TYR 104 2HE TYR 104 -4.434 -6.713 -3.814 1658 HH TYR 104 HH TYR 104 -1.378 -7.742 -3.018 1659 H CYS 105 H CYS 105 -5.688 -0.196 -4.263 1660 HA CYS 105 HA CYS 105 -4.461 2.143 -5.507 1661 1HB CYS 105 2HB CYS 105 -6.510 1.352 -6.841 1662 2HB CYS 105 1HB CYS 105 -7.461 1.885 -5.460 1663 HG CYS 105 HG CYS 105 -7.459 4.035 -6.641 1664 H ILE 106 H ILE 106 -3.710 3.048 -3.658 1665 HA ILE 106 HA ILE 106 -5.489 3.230 -1.346 1666 HB ILE 106 HB ILE 106 -3.328 2.453 -0.743 1667 1HG1 ILE 106 2HG1 ILE 106 -2.957 5.324 -0.010 1668 2HG1 ILE 106 1HG1 ILE 106 -4.406 4.497 0.554 1669 1HG2 ILE 106 1HG2 ILE 106 -1.885 2.925 -2.453 1670 2HG2 ILE 106 2HG2 ILE 106 -1.329 4.056 -1.219 1671 3HG2 ILE 106 3HG2 ILE 106 -2.360 4.620 -2.532 1672 1HD1 ILE 106 1HD1 ILE 106 -1.637 3.441 1.009 1673 2HD1 ILE 106 2HD1 ILE 106 -3.139 2.933 1.783 1674 3HD1 ILE 106 3HD1 ILE 106 -2.460 4.523 2.133 1675 H CYS 107 H CYS 107 -6.717 4.986 -1.117 1676 HA CYS 107 HA CYS 107 -5.722 7.542 -2.211 1677 1HB CYS 107 2HB CYS 107 -8.202 8.144 -2.342 1678 2HB CYS 107 1HB CYS 107 -7.608 6.974 -3.515 1679 HG CYS 107 HG CYS 107 -9.390 5.504 -2.734 1680 H THR 108 H THR 108 -5.287 9.040 -0.715 1681 HA THR 108 HA THR 108 -6.649 8.813 1.873 1682 HB THR 108 HB THR 108 -4.135 8.431 1.802 1683 HG1 THR 108 1HG THR 108 -3.978 9.267 3.769 1684 1HG2 THR 108 1HG2 THR 108 -3.429 10.179 0.297 1685 2HG2 THR 108 2HG2 THR 108 -2.722 10.443 1.891 1686 3HG2 THR 108 3HG2 THR 108 -4.099 11.412 1.365 1687 H VAL 109 H VAL 109 -7.388 10.609 2.916 1688 HA VAL 109 HA VAL 109 -7.392 13.108 1.381 1689 HB VAL 109 HB VAL 109 -9.802 12.731 3.027 1690 1HG1 VAL 109 1HG1 VAL 109 -10.848 13.630 0.921 1691 2HG1 VAL 109 2HG1 VAL 109 -9.222 13.710 0.245 1692 3HG1 VAL 109 3HG1 VAL 109 -9.630 14.660 1.674 1693 1HG2 VAL 109 1HG2 VAL 109 -10.949 11.390 1.220 1694 2HG2 VAL 109 2HG2 VAL 109 -9.848 10.499 2.272 1695 3HG2 VAL 109 3HG2 VAL 109 -9.338 10.956 0.645 1696 H PHE 110 H PHE 110 -6.640 14.761 2.541 1697 HA PHE 110 HA PHE 110 -6.575 14.441 5.455 1698 1HB PHE 110 2HB PHE 110 -4.794 16.035 3.645 1699 2HB PHE 110 1HB PHE 110 -4.816 16.263 5.374 1700 HD1 PHE 110 1HD PHE 110 -2.806 15.512 6.155 1701 HD2 PHE 110 2HD PHE 110 -4.908 13.121 3.327 1702 HE1 PHE 110 1HE PHE 110 -1.132 13.732 6.420 1703 HE2 PHE 110 2HE PHE 110 -3.240 11.341 3.597 1704 HZ PHE 110 HZ PHE 110 -1.348 11.643 5.139 1705 H GLY 111 H GLY 111 -8.373 15.271 6.183 1706 1HA GLY 111 2HA GLY 111 -9.519 17.690 5.066 1707 2HA GLY 111 1HA GLY 111 -10.210 16.701 6.347 1708 H LEU 112 H LEU 112 -8.173 19.367 5.568 1709 HA LEU 112 HA LEU 112 -7.290 19.720 8.303 1710 1HB LEU 112 2HB LEU 112 -6.824 21.214 5.737 1711 2HB LEU 112 1HB LEU 112 -6.239 21.808 7.273 1712 HG LEU 112 HG LEU 112 -4.550 20.257 7.387 1713 1HD1 LEU 112 1HD1 LEU 112 -6.008 18.331 5.608 1714 2HD1 LEU 112 2HD1 LEU 112 -6.101 18.296 7.366 1715 3HD1 LEU 112 3HD1 LEU 112 -4.556 18.029 6.556 1716 1HD2 LEU 112 1HD2 LEU 112 -3.811 19.656 5.011 1717 2HD2 LEU 112 2HD2 LEU 112 -3.925 21.359 5.460 1718 3HD2 LEU 112 3HD2 LEU 112 -5.204 20.609 4.504 1719 H ALA 113 H ALA 113 -8.261 20.889 9.786 1720 HA ALA 113 HA ALA 113 -10.799 21.999 9.466 1721 1HB ALA 113 1HB ALA 113 -10.698 22.573 11.709 1722 2HB ALA 113 2HB ALA 113 -8.960 22.864 11.656 1723 3HB ALA 113 3HB ALA 113 -9.581 21.215 11.592 1724 H ILE 114 H ILE 114 -7.669 23.617 9.774 1725 HA ILE 114 HA ILE 114 -6.925 25.664 9.111 1726 HB ILE 114 HB ILE 114 -9.485 25.944 7.543 1727 1HG1 ILE 114 2HG1 ILE 114 -8.427 23.839 6.933 1728 2HG1 ILE 114 1HG1 ILE 114 -8.213 25.010 5.637 1729 1HG2 ILE 114 1HG2 ILE 114 -6.788 27.262 7.402 1730 2HG2 ILE 114 2HG2 ILE 114 -8.365 28.015 7.636 1731 3HG2 ILE 114 3HG2 ILE 114 -7.944 27.319 6.071 1732 1HD1 ILE 114 1HD1 ILE 114 -6.215 23.592 6.197 1733 2HD1 ILE 114 2HD1 ILE 114 -6.115 24.483 7.717 1734 3HD1 ILE 114 3HD1 ILE 114 -5.943 25.334 6.182 Start of MODEL 9 1 1H MET 1 1HT MET 1 30.954 -3.284 -11.231 2 HA MET 1 HA MET 1 29.497 -1.879 -10.388 3 1HB MET 1 2HB MET 1 31.740 -2.219 -9.104 4 2HB MET 1 1HB MET 1 32.013 -0.521 -9.468 5 1HG MET 1 2HG MET 1 29.849 0.001 -8.367 6 2HG MET 1 1HG MET 1 29.733 -1.694 -7.896 7 1HE MET 1 1HE MET 1 29.612 0.305 -5.346 8 2HE MET 1 2HE MET 1 30.062 1.417 -6.638 9 3HE MET 1 3HE MET 1 31.061 1.297 -5.190 10 H GLU 2 H GLU 2 30.105 -0.878 -13.064 11 HA GLU 2 HA GLU 2 30.309 2.005 -12.741 12 1HB GLU 2 2HB GLU 2 31.443 0.761 -14.614 13 2HB GLU 2 1HB GLU 2 29.849 0.438 -15.282 14 1HG GLU 2 2HG GLU 2 29.480 2.670 -15.812 15 2HG GLU 2 1HG GLU 2 30.734 3.236 -14.709 16 H GLY 3 H GLY 3 28.688 3.475 -13.227 17 1HA GLY 3 2HA GLY 3 26.500 3.976 -14.142 18 2HA GLY 3 1HA GLY 3 26.007 2.344 -13.717 19 H VAL 4 H VAL 4 27.861 4.415 -11.583 20 HA VAL 4 HA VAL 4 25.616 4.367 -9.696 21 HB VAL 4 HB VAL 4 28.472 5.156 -9.122 22 1HG1 VAL 4 1HG1 VAL 4 26.482 4.125 -7.140 23 2HG1 VAL 4 2HG1 VAL 4 26.481 5.827 -7.608 24 3HG1 VAL 4 3HG1 VAL 4 27.918 5.114 -6.873 25 1HG2 VAL 4 1HG2 VAL 4 28.292 2.767 -7.960 26 2HG2 VAL 4 2HG2 VAL 4 28.848 2.969 -9.622 27 3HG2 VAL 4 3HG2 VAL 4 27.180 2.493 -9.302 28 H ASP 5 H ASP 5 24.363 6.106 -9.674 29 HA ASP 5 HA ASP 5 25.614 8.751 -9.746 30 1HB ASP 5 2HB ASP 5 24.801 8.212 -12.036 31 2HB ASP 5 1HB ASP 5 23.176 8.032 -11.384 32 HA PRO 6 HA PRO 6 22.675 8.590 -6.222 33 1HB PRO 6 2HB PRO 6 23.923 10.467 -4.735 34 2HB PRO 6 1HB PRO 6 24.487 8.792 -4.808 35 1HG PRO 6 2HG PRO 6 25.469 11.184 -6.332 36 2HG PRO 6 1HG PRO 6 26.411 9.955 -5.466 37 1HD PRO 6 2HD PRO 6 26.079 9.868 -8.132 38 2HD PRO 6 1HD PRO 6 26.149 8.389 -7.151 39 H ALA 7 H ALA 7 21.571 9.697 -8.306 40 HA ALA 7 HA ALA 7 19.909 11.694 -7.530 41 1HB ALA 7 1HB ALA 7 20.883 13.711 -8.781 42 2HB ALA 7 2HB ALA 7 22.431 12.875 -8.675 43 3HB ALA 7 3HB ALA 7 21.571 13.329 -7.205 44 H VAL 8 H VAL 8 21.943 11.840 -10.407 45 HA VAL 8 HA VAL 8 21.576 11.499 -12.617 46 HB VAL 8 HB VAL 8 19.158 9.826 -12.405 47 1HG1 VAL 8 1HG1 VAL 8 20.145 8.626 -14.065 48 2HG1 VAL 8 2HG1 VAL 8 21.778 8.922 -13.466 49 3HG1 VAL 8 3HG1 VAL 8 20.903 10.200 -14.309 50 1HG2 VAL 8 1HG2 VAL 8 21.611 9.133 -10.841 51 2HG2 VAL 8 2HG2 VAL 8 20.600 7.876 -11.555 52 3HG2 VAL 8 3HG2 VAL 8 19.916 8.996 -10.378 53 H GLU 9 H GLU 9 18.257 11.238 -11.428 54 HA GLU 9 HA GLU 9 17.492 13.366 -13.286 55 1HB GLU 9 2HB GLU 9 16.334 10.821 -12.447 56 2HB GLU 9 1HB GLU 9 15.180 12.132 -12.435 57 1HG GLU 9 2HG GLU 9 16.820 12.078 -14.835 58 2HG GLU 9 1HG GLU 9 15.871 10.611 -14.600 59 H GLU 10 H GLU 10 18.073 15.067 -11.870 60 HA GLU 10 HA GLU 10 16.936 15.296 -9.253 61 1HB GLU 10 2HB GLU 10 19.091 16.334 -9.904 62 2HB GLU 10 1HB GLU 10 18.220 17.420 -10.979 63 1HG GLU 10 2HG GLU 10 17.581 17.293 -8.060 64 2HG GLU 10 1HG GLU 10 18.916 18.271 -8.667 65 H ALA 11 H ALA 11 14.965 15.966 -8.736 66 HA ALA 11 HA ALA 11 13.413 17.462 -10.744 67 1HB ALA 11 1HB ALA 11 11.589 16.236 -10.266 68 2HB ALA 11 2HB ALA 11 11.944 16.185 -8.541 69 3HB ALA 11 3HB ALA 11 12.761 15.077 -9.642 70 H ALA 12 H ALA 12 12.477 19.373 -10.208 71 HA ALA 12 HA ALA 12 11.768 20.342 -7.726 72 1HB ALA 12 1HB ALA 12 14.641 20.938 -8.394 73 2HB ALA 12 2HB ALA 12 13.973 20.286 -6.898 74 3HB ALA 12 3HB ALA 12 13.690 21.973 -7.328 75 H PHE 13 H PHE 13 11.993 22.943 -7.739 76 HA PHE 13 HA PHE 13 11.678 23.938 -10.463 77 1HB PHE 13 2HB PHE 13 9.421 23.309 -9.828 78 2HB PHE 13 1HB PHE 13 9.550 24.216 -8.328 79 HD1 PHE 13 1HD PHE 13 7.820 25.770 -8.570 80 HD2 PHE 13 2HD PHE 13 10.661 25.288 -11.702 81 HE1 PHE 13 1HE PHE 13 6.899 27.749 -9.705 82 HE2 PHE 13 2HE PHE 13 9.747 27.268 -12.841 83 HZ PHE 13 HZ PHE 13 7.864 28.500 -11.842 84 H VAL 14 H VAL 14 10.647 25.607 -7.503 85 HA VAL 14 HA VAL 14 13.026 27.329 -7.754 86 HB VAL 14 HB VAL 14 10.268 28.302 -7.000 87 1HG1 VAL 14 1HG1 VAL 14 11.652 29.857 -6.063 88 2HG1 VAL 14 2HG1 VAL 14 11.548 30.508 -7.699 89 3HG1 VAL 14 3HG1 VAL 14 12.952 29.557 -7.216 90 1HG2 VAL 14 1HG2 VAL 14 10.699 29.530 -9.315 91 2HG2 VAL 14 2HG2 VAL 14 9.912 27.956 -9.220 92 3HG2 VAL 14 3HG2 VAL 14 11.623 28.061 -9.627 93 H ALA 15 H ALA 15 14.034 26.136 -6.062 94 HA ALA 15 HA ALA 15 13.679 27.207 -3.495 95 1HB ALA 15 1HB ALA 15 12.864 25.232 -2.274 96 2HB ALA 15 2HB ALA 15 12.566 24.423 -3.812 97 3HB ALA 15 3HB ALA 15 11.661 25.876 -3.390 98 H ASP 16 H ASP 16 15.959 27.317 -4.295 99 HA ASP 16 HA ASP 16 17.561 24.978 -4.405 100 1HB ASP 16 2HB ASP 16 18.315 27.871 -3.940 101 2HB ASP 16 1HB ASP 16 19.472 26.574 -4.228 102 H ASP 17 H ASP 17 16.750 27.270 -1.862 103 HA ASP 17 HA ASP 17 18.552 26.480 0.099 104 1HB ASP 17 2HB ASP 17 16.769 27.310 1.714 105 2HB ASP 17 1HB ASP 17 17.299 28.453 0.483 106 H VAL 18 H VAL 18 15.242 25.289 -0.464 107 HA VAL 18 HA VAL 18 15.494 23.251 1.557 108 HB VAL 18 HB VAL 18 13.347 23.475 -0.551 109 1HG1 VAL 18 1HG1 VAL 18 12.949 21.450 0.415 110 2HG1 VAL 18 2HG1 VAL 18 12.092 22.481 1.561 111 3HG1 VAL 18 3HG1 VAL 18 13.714 21.901 1.939 112 1HG2 VAL 18 1HG2 VAL 18 12.059 24.753 1.100 113 2HG2 VAL 18 2HG2 VAL 18 13.531 25.599 0.622 114 3HG2 VAL 18 3HG2 VAL 18 13.458 24.764 2.174 115 H SER 19 H SER 19 15.832 23.472 -1.909 116 HA SER 19 HA SER 19 15.670 20.771 -2.587 117 1HB SER 19 2HB SER 19 15.663 22.192 -4.425 118 2HB SER 19 1HB SER 19 16.998 23.162 -3.809 119 HG SER 19 HG SER 19 18.415 21.535 -4.375 120 H ASN 20 H ASN 20 18.452 22.696 -1.516 121 HA ASN 20 HA ASN 20 20.325 20.583 -1.843 122 1HB ASN 20 2HB ASN 20 21.901 22.006 -0.712 123 2HB ASN 20 1HB ASN 20 20.925 23.005 -1.782 124 1HD2 ASN 20 1HD2 ASN 20 19.945 24.725 -0.957 125 2HD2 ASN 20 2HD2 ASN 20 19.806 25.084 0.727 126 H ILE 21 H ILE 21 18.454 21.737 0.934 127 HA ILE 21 HA ILE 21 19.680 20.279 2.960 128 HB ILE 21 HB ILE 21 16.763 21.045 2.662 129 1HG1 ILE 21 2HG1 ILE 21 18.948 22.378 4.263 130 2HG1 ILE 21 1HG1 ILE 21 18.481 22.877 2.641 131 1HG2 ILE 21 1HG2 ILE 21 16.708 20.884 5.163 132 2HG2 ILE 21 2HG2 ILE 21 18.256 20.044 5.078 133 3HG2 ILE 21 3HG2 ILE 21 16.827 19.340 4.322 134 1HD1 ILE 21 1HD1 ILE 21 16.748 22.904 5.097 135 2HD1 ILE 21 2HD1 ILE 21 16.205 23.320 3.471 136 3HD1 ILE 21 3HD1 ILE 21 17.436 24.301 4.268 137 H ILE 22 H ILE 22 16.789 19.285 1.068 138 HA ILE 22 HA ILE 22 16.560 16.756 2.235 139 HB ILE 22 HB ILE 22 15.454 16.107 -0.015 140 1HG1 ILE 22 2HG1 ILE 22 14.764 18.803 -0.689 141 2HG1 ILE 22 1HG1 ILE 22 16.512 18.653 -0.731 142 1HG2 ILE 22 1HG2 ILE 22 14.320 18.348 1.646 143 2HG2 ILE 22 2HG2 ILE 22 14.272 16.633 2.057 144 3HG2 ILE 22 3HG2 ILE 22 13.406 17.224 0.639 145 1HD1 ILE 22 1HD1 ILE 22 15.780 18.163 -2.895 146 2HD1 ILE 22 2HD1 ILE 22 14.483 17.122 -2.307 147 3HD1 ILE 22 3HD1 ILE 22 16.163 16.603 -2.168 148 H LYS 23 H LYS 23 18.145 17.622 -0.841 149 HA LYS 23 HA LYS 23 19.091 15.083 -1.492 150 1HB LYS 23 2HB LYS 23 20.189 17.824 -2.105 151 2HB LYS 23 1HB LYS 23 20.766 16.355 -2.863 152 1HG LYS 23 2HG LYS 23 18.704 15.953 -3.902 153 2HG LYS 23 1HG LYS 23 17.917 17.220 -2.955 154 1HD LYS 23 2HD LYS 23 19.820 18.701 -4.039 155 2HD LYS 23 1HD LYS 23 19.740 17.459 -5.281 156 1HE LYS 23 2HE LYS 23 17.267 17.802 -5.306 157 2HE LYS 23 1HE LYS 23 17.536 19.207 -4.284 158 1HZ LYS 23 1HZ LYS 23 18.538 20.364 -5.975 159 2HZ LYS 23 2HZ LYS 23 17.401 19.471 -6.852 160 3HZ LYS 23 3HZ LYS 23 19.016 18.972 -6.808 161 H GLU 24 H GLU 24 20.771 17.737 0.172 162 HA GLU 24 HA GLU 24 23.173 16.442 0.727 163 1HB GLU 24 2HB GLU 24 21.647 18.655 2.049 164 2HB GLU 24 1HB GLU 24 23.043 17.996 2.870 165 1HG GLU 24 2HG GLU 24 24.037 18.399 0.375 166 2HG GLU 24 1HG GLU 24 22.884 19.725 0.518 167 H SER 25 H SER 25 20.069 16.292 2.318 168 HA SER 25 HA SER 25 20.893 14.916 4.645 169 1HB SER 25 2HB SER 25 18.666 16.155 4.171 170 2HB SER 25 1HB SER 25 18.152 14.639 3.432 171 HG SER 25 HG SER 25 18.618 13.615 5.437 172 H ILE 26 H ILE 26 19.549 13.730 1.524 173 HA ILE 26 HA ILE 26 19.467 11.022 2.256 174 HB ILE 26 HB ILE 26 19.743 12.345 -0.435 175 1HG1 ILE 26 2HG1 ILE 26 17.542 11.130 -0.743 176 2HG1 ILE 26 1HG1 ILE 26 17.626 10.726 0.968 177 1HG2 ILE 26 1HG2 ILE 26 20.152 9.463 0.199 178 2HG2 ILE 26 2HG2 ILE 26 20.862 10.449 -1.079 179 3HG2 ILE 26 3HG2 ILE 26 19.205 9.865 -1.233 180 1HD1 ILE 26 1HD1 ILE 26 17.500 13.482 -0.217 181 2HD1 ILE 26 2HD1 ILE 26 17.666 13.114 1.499 182 3HD1 ILE 26 3HD1 ILE 26 16.208 12.633 0.632 183 H ASP 27 H ASP 27 22.069 12.970 0.890 184 HA ASP 27 HA ASP 27 23.956 11.001 0.426 185 1HB ASP 27 2HB ASP 27 24.206 13.427 -0.124 186 2HB ASP 27 1HB ASP 27 24.498 13.745 1.580 187 H ALA 28 H ALA 28 23.010 12.539 3.426 188 HA ALA 28 HA ALA 28 25.017 11.086 4.966 189 1HB ALA 28 1HB ALA 28 24.439 12.472 6.771 190 2HB ALA 28 2HB ALA 28 22.861 12.855 6.083 191 3HB ALA 28 3HB ALA 28 24.324 13.513 5.351 192 H VAL 29 H VAL 29 21.504 11.237 4.665 193 HA VAL 29 HA VAL 29 20.973 9.311 6.664 194 HB VAL 29 HB VAL 29 19.465 11.056 4.871 195 1HG1 VAL 29 1HG1 VAL 29 17.308 9.759 5.378 196 2HG1 VAL 29 2HG1 VAL 29 18.353 8.347 5.367 197 3HG1 VAL 29 3HG1 VAL 29 18.235 9.378 3.942 198 1HG2 VAL 29 1HG2 VAL 29 19.811 10.660 7.588 199 2HG2 VAL 29 2HG2 VAL 29 18.129 10.238 7.280 200 3HG2 VAL 29 3HG2 VAL 29 18.741 11.819 6.804 201 H LEU 30 H LEU 30 22.296 8.918 3.618 202 HA LEU 30 HA LEU 30 21.389 6.128 3.566 203 1HB LEU 30 2HB LEU 30 21.838 8.008 1.275 204 2HB LEU 30 1HB LEU 30 21.979 6.275 1.055 205 HG LEU 30 HG LEU 30 19.757 6.971 0.406 206 1HD1 LEU 30 1HD1 LEU 30 19.317 5.771 3.095 207 2HD1 LEU 30 2HD1 LEU 30 20.211 4.866 1.875 208 3HD1 LEU 30 3HD1 LEU 30 18.554 5.382 1.556 209 1HD2 LEU 30 1HD2 LEU 30 18.363 8.293 1.638 210 2HD2 LEU 30 2HD2 LEU 30 19.919 8.964 2.116 211 3HD2 LEU 30 3HD2 LEU 30 19.096 7.819 3.169 212 H GLN 31 H GLN 31 24.110 8.380 3.017 213 HA GLN 31 HA GLN 31 25.947 6.177 2.610 214 1HB GLN 31 2HB GLN 31 26.159 8.530 1.607 215 2HB GLN 31 1HB GLN 31 26.747 9.003 3.188 216 1HG GLN 31 2HG GLN 31 28.573 7.509 3.051 217 2HG GLN 31 1HG GLN 31 27.951 6.834 1.555 218 1HE2 GLN 31 1HE2 GLN 31 27.867 8.233 -0.316 219 2HE2 GLN 31 2HE2 GLN 31 29.030 9.501 -0.482 220 H ASN 32 H ASN 32 24.612 7.762 5.335 221 HA ASN 32 HA ASN 32 26.538 7.923 7.228 222 1HB ASN 32 2HB ASN 32 24.727 7.010 8.848 223 2HB ASN 32 1HB ASN 32 24.413 8.500 7.969 224 1HD2 ASN 32 1HD2 ASN 32 22.820 6.072 9.081 225 2HD2 ASN 32 2HD2 ASN 32 21.697 5.751 7.808 226 H GLN 33 H GLN 33 25.326 4.940 5.846 227 HA GLN 33 HA GLN 33 27.441 3.520 7.252 228 1HB GLN 33 2HB GLN 33 25.557 3.206 8.728 229 2HB GLN 33 1HB GLN 33 24.539 2.692 7.391 230 1HG GLN 33 2HG GLN 33 25.710 0.659 7.153 231 2HG GLN 33 1HG GLN 33 27.017 1.205 8.201 232 1HE2 GLN 33 1HE2 GLN 33 25.869 2.125 10.383 233 2HE2 GLN 33 2HE2 GLN 33 24.902 0.924 11.161 234 H GLN 34 H GLN 34 24.841 1.747 5.667 235 HA GLN 34 HA GLN 34 26.401 1.576 3.204 236 1HB GLN 34 2HB GLN 34 26.764 -0.334 5.088 237 2HB GLN 34 1HB GLN 34 25.400 -1.018 4.217 238 1HG GLN 34 2HG GLN 34 27.048 -0.276 2.178 239 2HG GLN 34 1HG GLN 34 28.199 -0.749 3.425 240 1HE2 GLN 34 1HE2 GLN 34 27.984 -2.882 4.340 241 2HE2 GLN 34 2HE2 GLN 34 27.333 -4.162 3.381 242 H TYR 35 H TYR 35 25.123 -0.073 1.673 243 HA TYR 35 HA TYR 35 22.441 1.043 1.495 244 1HB TYR 35 2HB TYR 35 23.715 1.073 -0.545 245 2HB TYR 35 1HB TYR 35 24.095 -0.638 -0.400 246 HD1 TYR 35 1HD TYR 35 22.429 -2.334 -0.956 247 HD2 TYR 35 2HD TYR 35 21.561 1.810 -1.386 248 HE1 TYR 35 1HE TYR 35 20.475 -2.894 -2.342 249 HE2 TYR 35 2HE TYR 35 19.603 1.260 -2.772 250 HH TYR 35 HH TYR 35 19.043 -1.896 -3.993 251 H SER 36 H SER 36 20.891 0.054 2.584 252 HA SER 36 HA SER 36 20.677 -2.868 2.397 253 1HB SER 36 2HB SER 36 21.001 -1.262 4.818 254 2HB SER 36 1HB SER 36 19.563 -2.280 4.872 255 HG SER 36 HG SER 36 21.981 -3.035 5.375 256 H GLU 37 H GLU 37 18.662 -3.577 1.864 257 HA GLU 37 HA GLU 37 16.727 -1.722 1.001 258 1HB GLU 37 2HB GLU 37 16.919 -3.997 0.074 259 2HB GLU 37 1HB GLU 37 16.347 -4.658 1.601 260 1HG GLU 37 2HG GLU 37 14.256 -4.420 0.939 261 2HG GLU 37 1HG GLU 37 14.493 -2.690 0.759 262 H ALA 38 H ALA 38 17.045 -3.585 3.975 263 HA ALA 38 HA ALA 38 14.515 -3.059 5.064 264 1HB ALA 38 1HB ALA 38 15.738 -3.380 7.280 265 2HB ALA 38 2HB ALA 38 17.185 -3.640 6.306 266 3HB ALA 38 3HB ALA 38 15.797 -4.713 6.125 267 H LYS 39 H LYS 39 17.398 -1.128 4.839 268 HA LYS 39 HA LYS 39 16.250 0.948 6.538 269 1HB LYS 39 2HB LYS 39 18.969 0.295 5.543 270 2HB LYS 39 1HB LYS 39 18.595 1.983 5.831 271 1HG LYS 39 2HG LYS 39 19.470 1.358 7.837 272 2HG LYS 39 1HG LYS 39 17.747 1.145 8.127 273 1HD LYS 39 2HD LYS 39 18.895 -0.762 8.985 274 2HD LYS 39 1HD LYS 39 18.021 -1.257 7.536 275 1HE LYS 39 2HE LYS 39 19.949 -2.131 6.835 276 2HE LYS 39 1HE LYS 39 20.490 -0.474 6.573 277 1HZ LYS 39 1HZ LYS 39 21.498 -0.441 8.716 278 2HZ LYS 39 2HZ LYS 39 22.023 -1.843 7.930 279 3HZ LYS 39 3HZ LYS 39 20.835 -1.941 9.129 280 H VAL 40 H VAL 40 16.578 0.129 3.230 281 HA VAL 40 HA VAL 40 16.867 2.516 1.909 282 HB VAL 40 HB VAL 40 15.497 -0.051 1.291 283 1HG1 VAL 40 1HG1 VAL 40 14.684 0.651 -0.876 284 2HG1 VAL 40 2HG1 VAL 40 15.145 2.319 -0.536 285 3HG1 VAL 40 3HG1 VAL 40 13.862 1.548 0.398 286 1HG2 VAL 40 1HG2 VAL 40 17.138 -0.279 -0.316 287 2HG2 VAL 40 2HG2 VAL 40 17.960 0.619 0.959 288 3HG2 VAL 40 3HG2 VAL 40 17.369 1.463 -0.471 289 H SER 41 H SER 41 14.143 1.432 3.784 290 HA SER 41 HA SER 41 12.546 3.725 2.885 291 1HB SER 41 2HB SER 41 11.619 1.483 4.683 292 2HB SER 41 1HB SER 41 10.630 2.618 3.767 293 HG SER 41 HG SER 41 11.677 1.627 1.858 294 H GLN 42 H GLN 42 13.944 2.212 5.747 295 HA GLN 42 HA GLN 42 12.885 4.070 7.608 296 1HB GLN 42 2HB GLN 42 15.104 2.059 7.680 297 2HB GLN 42 1HB GLN 42 14.942 3.217 8.992 298 1HG GLN 42 2HG GLN 42 13.859 1.025 9.414 299 2HG GLN 42 1HG GLN 42 12.777 2.410 9.544 300 1HE2 GLN 42 1HE2 GLN 42 10.893 1.380 9.112 301 2HE2 GLN 42 2HE2 GLN 42 10.521 0.640 7.596 302 H TRP 43 H TRP 43 15.830 4.033 5.678 303 HA TRP 43 HA TRP 43 17.146 6.122 6.982 304 1HB TRP 43 2HB TRP 43 17.268 5.091 4.186 305 2HB TRP 43 1HB TRP 43 18.171 6.523 4.647 306 HD1 TRP 43 HD TRP 43 19.443 3.781 3.663 307 HE1 TRP 43 1HE TRP 43 21.150 2.600 5.130 308 HE3 TRP 43 3HE TRP 43 18.327 5.886 8.241 309 HZ2 TRP 43 2HZ TRP 43 21.960 2.514 7.805 310 HZ3 TRP 43 3HZ TRP 43 19.632 5.174 10.180 311 HH2 TRP 43 HH TRP 43 21.414 3.526 9.973 312 H THR 44 H THR 44 15.057 6.247 4.101 313 HA THR 44 HA THR 44 15.136 9.000 3.744 314 HB THR 44 HB THR 44 14.112 7.266 2.214 315 HG1 THR 44 1HG THR 44 13.871 9.367 1.644 316 1HG2 THR 44 1HG2 THR 44 12.284 6.168 2.741 317 2HG2 THR 44 2HG2 THR 44 11.415 7.690 2.946 318 3HG2 THR 44 3HG2 THR 44 12.260 6.966 4.315 319 H SER 45 H SER 45 13.501 7.140 6.147 320 HA SER 45 HA SER 45 11.658 9.172 6.958 321 1HB SER 45 2HB SER 45 12.302 6.479 7.759 322 2HB SER 45 1HB SER 45 12.272 7.519 9.181 323 HG SER 45 HG SER 45 10.183 7.976 8.826 324 H SER 46 H SER 46 14.911 8.152 7.797 325 HA SER 46 HA SER 46 15.326 10.011 9.905 326 1HB SER 46 2HB SER 46 17.090 8.279 8.225 327 2HB SER 46 1HB SER 46 17.831 9.601 9.124 328 HG SER 46 HG SER 46 16.526 7.309 10.069 329 H CYS 47 H CYS 47 15.658 10.092 6.419 330 HA CYS 47 HA CYS 47 17.028 12.555 6.172 331 1HB CYS 47 2HB CYS 47 16.860 11.223 4.194 332 2HB CYS 47 1HB CYS 47 15.130 11.055 4.360 333 HG CYS 47 HG CYS 47 14.864 13.481 3.474 334 H LEU 48 H LEU 48 13.671 11.643 6.503 335 HA LEU 48 HA LEU 48 12.550 14.193 6.137 336 1HB LEU 48 2HB LEU 48 11.656 11.580 7.220 337 2HB LEU 48 1HB LEU 48 10.721 12.987 7.673 338 HG LEU 48 HG LEU 48 9.884 13.288 5.571 339 1HD1 LEU 48 1HD1 LEU 48 11.876 13.707 4.357 340 2HD1 LEU 48 2HD1 LEU 48 11.021 12.435 3.492 341 3HD1 LEU 48 3HD1 LEU 48 12.403 12.034 4.511 342 1HD2 LEU 48 1HD2 LEU 48 9.498 11.036 4.502 343 2HD2 LEU 48 2HD2 LEU 48 9.042 11.173 6.200 344 3HD2 LEU 48 3HD2 LEU 48 10.543 10.362 5.752 345 H GLU 49 H GLU 49 13.824 12.500 8.958 346 HA GLU 49 HA GLU 49 12.987 14.630 10.707 347 1HB GLU 49 2HB GLU 49 13.380 12.216 11.455 348 2HB GLU 49 1HB GLU 49 15.097 12.623 11.426 349 1HG GLU 49 2HG GLU 49 14.368 14.662 12.835 350 2HG GLU 49 1HG GLU 49 12.931 13.715 13.171 351 H HIS 50 H HIS 50 15.794 13.764 8.844 352 HA HIS 50 HA HIS 50 17.408 15.889 9.976 353 1HB HIS 50 2HB HIS 50 17.874 13.971 7.679 354 2HB HIS 50 1HB HIS 50 19.036 15.194 8.180 355 HD1 HIS 50 1HD HIS 50 20.856 13.728 9.094 356 HD2 HIS 50 2HD HIS 50 17.122 12.803 10.663 357 HE1 HIS 50 1HE HIS 50 21.293 12.066 10.930 358 HE2 HIS 50 2HE HIS 50 19.012 11.456 11.808 359 H CYS 51 H CYS 51 14.805 15.911 7.996 360 HA CYS 51 HA CYS 51 15.801 18.064 6.268 361 1HB CYS 51 2HB CYS 51 14.650 16.090 5.131 362 2HB CYS 51 1HB CYS 51 13.191 16.519 6.019 363 HG CYS 51 HG CYS 51 13.313 17.548 3.535 364 H ILE 52 H ILE 52 13.248 16.983 8.408 365 HA ILE 52 HA ILE 52 11.854 19.426 8.589 366 HB ILE 52 HB ILE 52 10.983 17.137 9.113 367 1HG1 ILE 52 2HG1 ILE 52 9.756 19.126 9.745 368 2HG1 ILE 52 1HG1 ILE 52 9.514 17.804 10.881 369 1HG2 ILE 52 1HG2 ILE 52 11.445 15.978 11.034 370 2HG2 ILE 52 2HG2 ILE 52 12.079 17.403 11.858 371 3HG2 ILE 52 3HG2 ILE 52 13.024 16.622 10.592 372 1HD1 ILE 52 1HD1 ILE 52 10.759 20.411 11.246 373 2HD1 ILE 52 2HD1 ILE 52 11.553 19.057 12.049 374 3HD1 ILE 52 3HD1 ILE 52 9.856 19.411 12.379 375 H LYS 53 H LYS 53 14.480 17.963 10.469 376 HA LYS 53 HA LYS 53 14.471 19.931 12.524 377 1HB LYS 53 2HB LYS 53 16.270 17.714 11.700 378 2HB LYS 53 1HB LYS 53 16.981 18.985 12.676 379 1HG LYS 53 2HG LYS 53 16.177 17.043 13.979 380 2HG LYS 53 1HG LYS 53 15.449 18.567 14.457 381 1HD LYS 53 2HD LYS 53 13.955 17.146 12.403 382 2HD LYS 53 1HD LYS 53 14.091 16.265 13.921 383 1HE LYS 53 2HE LYS 53 13.066 19.084 13.604 384 2HE LYS 53 1HE LYS 53 12.075 17.651 13.860 385 1HZ LYS 53 1HZ LYS 53 13.052 19.260 15.809 386 2HZ LYS 53 2HZ LYS 53 14.140 17.965 15.834 387 3HZ LYS 53 3HZ LYS 53 12.485 17.683 16.036 388 H ARG 54 H ARG 54 15.988 19.694 9.402 389 HA ARG 54 HA ARG 54 17.856 21.828 9.857 390 1HB ARG 54 2HB ARG 54 18.263 20.024 8.214 391 2HB ARG 54 1HB ARG 54 16.923 20.623 7.247 392 1HG ARG 54 2HG ARG 54 18.510 21.755 6.151 393 2HG ARG 54 1HG ARG 54 18.416 22.871 7.512 394 1HD ARG 54 2HD ARG 54 20.542 22.463 7.973 395 2HD ARG 54 1HD ARG 54 20.156 20.773 8.270 396 HE ARG 54 HE ARG 54 21.370 21.909 5.900 397 1HH1 ARG 54 1HH1 ARG 54 19.758 19.123 7.276 398 2HH1 ARG 54 2HH1 ARG 54 20.388 18.030 6.094 399 1HH2 ARG 54 1HH2 ARG 54 22.189 20.462 4.355 400 2HH2 ARG 54 2HH2 ARG 54 21.764 18.785 4.441 401 H LEU 55 H LEU 55 14.787 21.501 8.146 402 HA LEU 55 HA LEU 55 14.648 24.101 7.120 403 1HB LEU 55 2HB LEU 55 12.433 22.210 7.905 404 2HB LEU 55 1HB LEU 55 12.212 23.664 6.948 405 HG LEU 55 HG LEU 55 14.097 21.502 6.069 406 1HD1 LEU 55 1HD1 LEU 55 11.220 21.325 6.228 407 2HD1 LEU 55 2HD1 LEU 55 12.401 20.103 5.761 408 3HD1 LEU 55 3HD1 LEU 55 11.778 21.231 4.557 409 1HD2 LEU 55 1HD2 LEU 55 14.517 23.232 4.694 410 2HD2 LEU 55 2HD2 LEU 55 12.926 23.956 4.932 411 3HD2 LEU 55 3HD2 LEU 55 13.116 22.581 3.844 412 H THR 56 H THR 56 13.798 22.791 10.247 413 HA THR 56 HA THR 56 12.509 25.203 11.142 414 HB THR 56 HB THR 56 12.299 24.099 13.265 415 HG1 THR 56 1HG THR 56 13.960 22.967 13.850 416 1HG2 THR 56 1HG2 THR 56 11.644 21.684 12.404 417 2HG2 THR 56 2HG2 THR 56 11.763 22.495 10.841 418 3HG2 THR 56 3HG2 THR 56 10.661 23.107 12.067 419 H ALA 57 H ALA 57 15.697 23.769 11.261 420 HA ALA 57 HA ALA 57 16.860 25.423 13.221 421 1HB ALA 57 1HB ALA 57 17.915 23.804 10.941 422 2HB ALA 57 2HB ALA 57 18.202 23.625 12.672 423 3HB ALA 57 3HB ALA 57 18.992 24.923 11.776 424 H LEU 58 H LEU 58 16.281 25.778 9.785 425 HA LEU 58 HA LEU 58 17.603 28.342 9.611 426 1HB LEU 58 2HB LEU 58 16.366 26.400 7.789 427 2HB LEU 58 1HB LEU 58 16.097 28.067 7.332 428 HG LEU 58 HG LEU 58 18.884 27.593 8.010 429 1HD1 LEU 58 1HD1 LEU 58 17.930 25.339 6.997 430 2HD1 LEU 58 2HD1 LEU 58 19.520 25.963 6.556 431 3HD1 LEU 58 3HD1 LEU 58 18.143 26.222 5.486 432 1HD2 LEU 58 1HD2 LEU 58 18.570 29.511 6.810 433 2HD2 LEU 58 2HD2 LEU 58 17.288 28.814 5.820 434 3HD2 LEU 58 3HD2 LEU 58 18.971 28.399 5.501 435 H ASN 59 H ASN 59 14.385 27.042 10.009 436 HA ASN 59 HA ASN 59 12.317 27.966 10.224 437 1HB ASN 59 2HB ASN 59 12.215 29.779 11.921 438 2HB ASN 59 1HB ASN 59 13.209 28.413 12.415 439 1HD2 ASN 59 1HD2 ASN 59 15.400 28.676 12.660 440 2HD2 ASN 59 2HD2 ASN 59 16.164 30.224 12.659 441 H LYS 60 H LYS 60 12.226 28.513 7.916 442 HA LYS 60 HA LYS 60 11.085 30.966 7.432 443 1HB LYS 60 2HB LYS 60 13.950 31.174 7.481 444 2HB LYS 60 1HB LYS 60 13.385 31.489 5.846 445 1HG LYS 60 2HG LYS 60 12.128 32.843 8.201 446 2HG LYS 60 1HG LYS 60 13.611 33.460 7.471 447 1HD LYS 60 2HD LYS 60 11.117 32.900 5.881 448 2HD LYS 60 1HD LYS 60 11.445 34.466 6.627 449 1HE LYS 60 2HE LYS 60 12.960 35.020 5.071 450 2HE LYS 60 1HE LYS 60 13.681 33.410 5.065 451 1HZ LYS 60 1HZ LYS 60 11.077 33.953 3.773 452 2HZ LYS 60 2HZ LYS 60 12.120 32.644 3.527 453 3HZ LYS 60 3HZ LYS 60 12.540 34.179 2.953 454 HA PRO 61 HA PRO 61 9.271 30.514 6.942 455 1HB PRO 61 2HB PRO 61 7.224 28.978 6.224 456 2HB PRO 61 1HB PRO 61 7.756 30.317 5.204 457 1HG PRO 61 2HG PRO 61 8.328 27.387 4.934 458 2HG PRO 61 1HG PRO 61 7.871 28.555 3.681 459 1HD PRO 61 2HD PRO 61 10.449 27.762 4.148 460 2HD PRO 61 1HD PRO 61 10.013 29.335 3.454 461 H PHE 62 H PHE 62 7.439 28.985 8.179 462 HA PHE 62 HA PHE 62 9.085 27.166 9.766 463 1HB PHE 62 2HB PHE 62 6.551 28.678 10.247 464 2HB PHE 62 1HB PHE 62 6.875 27.237 11.204 465 HD1 PHE 62 1HD PHE 62 8.284 30.530 10.249 466 HD2 PHE 62 2HD PHE 62 8.297 27.325 13.048 467 HE1 PHE 62 1HE PHE 62 9.707 31.857 11.756 468 HE2 PHE 62 2HE PHE 62 9.719 28.646 14.560 469 HZ PHE 62 HZ PHE 62 10.425 30.916 13.915 470 H LYS 63 H LYS 63 5.678 27.148 8.681 471 HA LYS 63 HA LYS 63 5.238 24.424 8.998 472 1HB LYS 63 2HB LYS 63 3.631 26.426 8.384 473 2HB LYS 63 1HB LYS 63 3.913 25.865 6.742 474 1HG LYS 63 2HG LYS 63 2.776 24.256 9.017 475 2HG LYS 63 1HG LYS 63 1.898 24.877 7.618 476 1HD LYS 63 2HD LYS 63 3.298 23.486 6.148 477 2HD LYS 63 1HD LYS 63 4.125 22.840 7.566 478 1HE LYS 63 2HE LYS 63 2.268 21.415 6.594 479 2HE LYS 63 1HE LYS 63 2.186 21.741 8.325 480 1HZ LYS 63 1HZ LYS 63 0.501 23.343 7.987 481 2HZ LYS 63 2HZ LYS 63 0.046 21.989 7.082 482 3HZ LYS 63 3HZ LYS 63 0.712 23.338 6.308 483 H TYR 64 H TYR 64 6.688 22.984 8.205 484 HA TYR 64 HA TYR 64 7.158 23.047 5.292 485 1HB TYR 64 2HB TYR 64 9.025 22.858 7.528 486 2HB TYR 64 1HB TYR 64 9.250 21.572 6.347 487 HD1 TYR 64 1HD TYR 64 9.951 24.958 7.153 488 HD2 TYR 64 2HD TYR 64 9.455 22.287 3.877 489 HE1 TYR 64 1HE TYR 64 11.196 26.510 5.706 490 HE2 TYR 64 2HE TYR 64 10.698 23.830 2.419 491 HH TYR 64 HH TYR 64 12.503 26.437 3.620 492 H VAL 65 H VAL 65 6.830 21.237 4.144 493 HA VAL 65 HA VAL 65 5.961 18.849 5.609 494 HB VAL 65 HB VAL 65 4.700 20.272 3.484 495 1HG1 VAL 65 1HG1 VAL 65 5.445 17.440 2.742 496 2HG1 VAL 65 2HG1 VAL 65 5.738 18.904 1.809 497 3HG1 VAL 65 3HG1 VAL 65 4.093 18.310 2.018 498 1HG2 VAL 65 1HG2 VAL 65 4.025 17.862 5.084 499 2HG2 VAL 65 2HG2 VAL 65 2.936 18.519 3.860 500 3HG2 VAL 65 3HG2 VAL 65 3.417 19.511 5.238 501 H VAL 66 H VAL 66 7.157 17.014 5.355 502 HA VAL 66 HA VAL 66 8.933 16.880 3.018 503 HB VAL 66 HB VAL 66 9.895 15.929 5.700 504 1HG1 VAL 66 1HG1 VAL 66 11.990 15.787 4.657 505 2HG1 VAL 66 2HG1 VAL 66 11.486 16.808 3.311 506 3HG1 VAL 66 3HG1 VAL 66 10.854 15.171 3.459 507 1HG2 VAL 66 1HG2 VAL 66 10.623 18.589 4.484 508 2HG2 VAL 66 2HG2 VAL 66 11.050 17.967 6.078 509 3HG2 VAL 66 3HG2 VAL 66 9.381 18.412 5.724 510 H THR 67 H THR 67 8.317 15.172 1.883 511 HA THR 67 HA THR 67 7.967 12.632 3.296 512 HB THR 67 HB THR 67 5.706 13.284 2.960 513 HG1 THR 67 1HG THR 67 6.352 11.616 0.766 514 1HG2 THR 67 1HG2 THR 67 6.574 14.828 0.897 515 2HG2 THR 67 2HG2 THR 67 4.887 14.474 1.271 516 3HG2 THR 67 3HG2 THR 67 5.741 13.518 0.059 517 H CYS 68 H CYS 68 8.498 10.783 2.122 518 HA CYS 68 HA CYS 68 9.581 11.209 -0.555 519 1HB CYS 68 2HB CYS 68 11.472 11.428 1.015 520 2HB CYS 68 1HB CYS 68 11.118 9.826 1.645 521 HG CYS 68 HG CYS 68 13.056 9.899 -0.243 522 H ILE 69 H ILE 69 9.824 9.301 -1.799 523 HA ILE 69 HA ILE 69 8.434 6.926 -0.785 524 HB ILE 69 HB ILE 69 7.876 8.365 -3.380 525 1HG1 ILE 69 2HG1 ILE 69 5.492 8.192 -2.398 526 2HG1 ILE 69 1HG1 ILE 69 6.309 7.870 -0.873 527 1HG2 ILE 69 1HG2 ILE 69 6.078 6.475 -3.533 528 2HG2 ILE 69 2HG2 ILE 69 7.234 5.583 -2.543 529 3HG2 ILE 69 3HG2 ILE 69 7.717 6.203 -4.122 530 1HD1 ILE 69 1HD1 ILE 69 7.500 10.153 -2.076 531 2HD1 ILE 69 2HD1 ILE 69 6.602 10.036 -0.562 532 3HD1 ILE 69 3HD1 ILE 69 5.748 10.356 -2.072 533 H ILE 70 H ILE 70 9.688 5.194 -1.055 534 HA ILE 70 HA ILE 70 11.937 5.322 -2.903 535 HB ILE 70 HB ILE 70 12.729 3.279 -1.810 536 1HG1 ILE 70 2HG1 ILE 70 11.178 2.996 0.470 537 2HG1 ILE 70 1HG1 ILE 70 9.981 3.240 -0.799 538 1HG2 ILE 70 1HG2 ILE 70 12.723 5.800 -0.787 539 2HG2 ILE 70 2HG2 ILE 70 13.638 4.446 -0.125 540 3HG2 ILE 70 3HG2 ILE 70 12.070 4.869 0.562 541 1HD1 ILE 70 1HD1 ILE 70 10.155 1.043 -1.105 542 2HD1 ILE 70 2HD1 ILE 70 11.692 0.948 -0.245 543 3HD1 ILE 70 3HD1 ILE 70 11.659 1.423 -1.944 544 H MET 71 H MET 71 12.363 3.793 -4.497 545 HA MET 71 HA MET 71 10.057 2.144 -5.305 546 1HB MET 71 2HB MET 71 11.032 4.269 -6.701 547 2HB MET 71 1HB MET 71 11.961 2.955 -7.410 548 1HG MET 71 2HG MET 71 9.105 2.391 -7.138 549 2HG MET 71 1HG MET 71 9.479 3.746 -8.202 550 1HE MET 71 1HE MET 71 9.418 2.856 -10.949 551 2HE MET 71 2HE MET 71 8.156 2.432 -9.793 552 3HE MET 71 3HE MET 71 8.815 1.201 -10.870 553 H GLN 72 H GLN 72 10.500 0.072 -4.989 554 HA GLN 72 HA GLN 72 13.147 -0.942 -4.728 555 1HB GLN 72 2HB GLN 72 11.129 -1.851 -3.555 556 2HB GLN 72 1HB GLN 72 10.596 -2.516 -5.092 557 1HG GLN 72 2HG GLN 72 13.334 -3.241 -4.380 558 2HG GLN 72 1HG GLN 72 12.118 -3.813 -3.238 559 1HE2 GLN 72 1HE2 GLN 72 12.046 -5.926 -3.699 560 2HE2 GLN 72 2HE2 GLN 72 11.647 -6.586 -5.244 561 H LYS 73 H LYS 73 14.445 -1.019 -6.446 562 HA LYS 73 HA LYS 73 15.277 -1.514 -8.500 563 1HB LYS 73 2HB LYS 73 14.101 -3.780 -7.578 564 2HB LYS 73 1HB LYS 73 13.240 -3.567 -9.096 565 1HG LYS 73 2HG LYS 73 15.044 -4.064 -10.346 566 2HG LYS 73 1HG LYS 73 16.164 -3.268 -9.240 567 1HD LYS 73 2HD LYS 73 16.250 -5.136 -7.813 568 2HD LYS 73 1HD LYS 73 14.816 -5.861 -8.543 569 1HE LYS 73 2HE LYS 73 15.982 -6.461 -10.493 570 2HE LYS 73 1HE LYS 73 17.332 -5.394 -10.113 571 1HZ LYS 73 1HZ LYS 73 16.667 -7.637 -8.322 572 2HZ LYS 73 2HZ LYS 73 18.147 -6.847 -8.536 573 3HZ LYS 73 3HZ LYS 73 17.578 -7.911 -9.721 574 H ASN 74 H ASN 74 14.183 -2.329 -10.877 575 HA ASN 74 HA ASN 74 12.193 -0.234 -11.466 576 1HB ASN 74 2HB ASN 74 13.276 0.015 -13.683 577 2HB ASN 74 1HB ASN 74 14.354 0.432 -12.355 578 1HD2 ASN 74 1HD2 ASN 74 14.606 -0.697 -15.211 579 2HD2 ASN 74 2HD2 ASN 74 15.745 -1.982 -15.022 580 H GLY 75 H GLY 75 10.513 -1.789 -11.240 581 1HA GLY 75 2HA GLY 75 9.788 -3.054 -13.666 582 2HA GLY 75 1HA GLY 75 10.376 -4.257 -12.528 583 H ALA 76 H ALA 76 9.389 -3.039 -10.156 584 HA ALA 76 HA ALA 76 6.774 -4.096 -10.112 585 1HB ALA 76 1HB ALA 76 6.662 -3.280 -7.834 586 2HB ALA 76 2HB ALA 76 8.062 -2.244 -8.110 587 3HB ALA 76 3HB ALA 76 8.243 -3.998 -8.139 588 H GLY 77 H GLY 77 4.795 -3.177 -10.289 589 1HA GLY 77 2HA GLY 77 4.637 -0.584 -11.526 590 2HA GLY 77 1HA GLY 77 3.291 -1.657 -11.174 591 H LEU 78 H LEU 78 4.728 1.236 -10.396 592 HA LEU 78 HA LEU 78 3.078 1.459 -7.985 593 1HB LEU 78 2HB LEU 78 5.512 1.012 -7.419 594 2HB LEU 78 1HB LEU 78 5.871 2.579 -8.120 595 HG LEU 78 HG LEU 78 5.693 2.570 -5.628 596 1HD1 LEU 78 1HD1 LEU 78 4.962 4.704 -5.619 597 2HD1 LEU 78 2HD1 LEU 78 3.487 4.321 -6.508 598 3HD1 LEU 78 3HD1 LEU 78 5.018 4.491 -7.369 599 1HD2 LEU 78 1HD2 LEU 78 3.529 2.412 -4.582 600 2HD2 LEU 78 2HD2 LEU 78 3.841 0.934 -5.492 601 3HD2 LEU 78 3HD2 LEU 78 2.751 2.158 -6.144 602 H HIS 79 H HIS 79 1.974 3.333 -7.837 603 HA HIS 79 HA HIS 79 2.834 5.670 -9.331 604 1HB HIS 79 2HB HIS 79 0.245 4.226 -9.902 605 2HB HIS 79 1HB HIS 79 0.545 5.894 -10.382 606 HD1 HIS 79 1HD HIS 79 2.667 6.206 -12.050 607 HD2 HIS 79 2HD HIS 79 1.117 2.368 -11.686 608 HE1 HIS 79 1HE HIS 79 3.533 4.940 -14.042 609 HE2 HIS 79 2HE HIS 79 2.653 2.597 -13.755 610 H THR 80 H THR 80 2.469 7.444 -8.183 611 HA THR 80 HA THR 80 0.601 7.285 -5.921 612 HB THR 80 HB THR 80 2.877 9.214 -6.428 613 HG1 THR 80 1HG THR 80 4.008 8.010 -5.009 614 1HG2 THR 80 1HG2 THR 80 2.493 9.416 -3.815 615 2HG2 THR 80 2HG2 THR 80 0.832 9.078 -4.300 616 3HG2 THR 80 3HG2 THR 80 1.683 10.467 -4.976 617 H ALA 81 H ALA 81 -0.794 9.081 -5.461 618 HA ALA 81 HA ALA 81 -1.242 10.906 -7.728 619 1HB ALA 81 1HB ALA 81 -2.845 8.931 -7.729 620 2HB ALA 81 2HB ALA 81 -3.572 10.538 -7.759 621 3HB ALA 81 3HB ALA 81 -3.527 9.617 -6.255 622 H ALA 82 H ALA 82 -1.939 12.970 -7.159 623 HA ALA 82 HA ALA 82 -2.716 13.524 -4.451 624 1HB ALA 82 1HB ALA 82 -0.888 14.773 -3.738 625 2HB ALA 82 2HB ALA 82 -0.182 14.818 -5.355 626 3HB ALA 82 3HB ALA 82 -0.199 13.310 -4.441 627 H SER 83 H SER 83 -3.621 15.461 -4.108 628 HA SER 83 HA SER 83 -3.673 17.444 -6.244 629 1HB SER 83 2HB SER 83 -5.617 15.857 -6.562 630 2HB SER 83 1HB SER 83 -6.215 16.376 -4.988 631 HG SER 83 HG SER 83 -7.076 17.516 -6.879 632 H CYS 84 H CYS 84 -3.136 19.295 -5.271 633 HA CYS 84 HA CYS 84 -3.993 19.709 -2.485 634 1HB CYS 84 2HB CYS 84 -1.452 19.542 -3.245 635 2HB CYS 84 1HB CYS 84 -1.723 21.244 -3.589 636 HG CYS 84 HG CYS 84 -2.378 21.512 -1.022 637 H TRP 85 H TRP 85 -4.765 21.707 -1.851 638 HA TRP 85 HA TRP 85 -6.074 23.205 -3.920 639 1HB TRP 85 2HB TRP 85 -6.634 22.715 -1.294 640 2HB TRP 85 1HB TRP 85 -6.010 24.359 -1.207 641 HD1 TRP 85 HD TRP 85 -8.561 22.472 -3.442 642 HE1 TRP 85 1HE TRP 85 -10.573 24.017 -3.819 643 HE3 TRP 85 3HE TRP 85 -6.941 26.562 -0.837 644 HZ2 TRP 85 2HZ TRP 85 -11.380 26.634 -3.110 645 HZ3 TRP 85 3HZ TRP 85 -8.394 28.546 -0.737 646 HH2 TRP 85 HH TRP 85 -10.566 28.580 -1.851 647 H TRP 86 H TRP 86 -5.825 25.489 -4.284 648 HA TRP 86 HA TRP 86 -3.037 26.287 -4.198 649 1HB TRP 86 2HB TRP 86 -5.481 27.415 -5.553 650 2HB TRP 86 1HB TRP 86 -3.945 28.274 -5.540 651 HD1 TRP 86 HD TRP 86 -2.375 25.277 -5.866 652 HE1 TRP 86 1HE TRP 86 -2.206 24.377 -8.271 653 HE3 TRP 86 3HE TRP 86 -6.066 28.069 -8.043 654 HZ2 TRP 86 2HZ TRP 86 -3.468 24.794 -10.761 655 HZ3 TRP 86 3HZ TRP 86 -6.521 27.757 -10.441 656 HH2 TRP 86 HH TRP 86 -5.247 26.153 -11.771 657 H ASP 87 H ASP 87 -2.182 27.948 -3.060 658 HA ASP 87 HA ASP 87 -3.713 29.972 -1.789 659 1HB ASP 87 2HB ASP 87 -3.835 27.643 -0.390 660 2HB ASP 87 1HB ASP 87 -2.403 28.379 0.324 661 H SER 88 H SER 88 -2.423 31.596 -0.891 662 HA SER 88 HA SER 88 0.309 31.584 -1.817 663 1HB SER 88 2HB SER 88 -1.040 33.601 -2.090 664 2HB SER 88 1HB SER 88 -1.277 33.702 -0.346 665 HG SER 88 HG SER 88 0.429 35.062 -1.208 666 H THR 89 H THR 89 -1.369 31.236 1.218 667 HA THR 89 HA THR 89 0.910 31.718 2.878 668 HB THR 89 HB THR 89 -1.351 32.045 3.732 669 HG1 THR 89 1HG THR 89 0.214 31.481 5.253 670 1HG2 THR 89 1HG2 THR 89 -1.811 29.414 2.675 671 2HG2 THR 89 2HG2 THR 89 -2.966 30.620 3.244 672 3HG2 THR 89 3HG2 THR 89 -2.234 29.492 4.385 673 H THR 90 H THR 90 -0.453 28.927 1.292 674 HA THR 90 HA THR 90 1.619 27.242 2.516 675 HB THR 90 HB THR 90 -0.001 25.363 1.696 676 HG1 THR 90 1HG THR 90 -1.494 26.527 0.591 677 1HG2 THR 90 1HG2 THR 90 0.252 26.681 4.145 678 2HG2 THR 90 2HG2 THR 90 -0.448 25.091 3.841 679 3HG2 THR 90 3HG2 THR 90 -1.480 26.521 3.857 680 H ASP 91 H ASP 91 2.931 28.309 0.746 681 HA ASP 91 HA ASP 91 2.607 26.789 -1.751 682 1HB ASP 91 2HB ASP 91 2.106 29.238 -1.979 683 2HB ASP 91 1HB ASP 91 3.780 29.564 -1.542 684 H GLY 92 H GLY 92 4.180 25.421 -2.113 685 1HA GLY 92 2HA GLY 92 6.892 26.011 -2.156 686 2HA GLY 92 1HA GLY 92 6.567 25.356 -0.566 687 H SER 93 H SER 93 4.419 23.699 -2.376 688 HA SER 93 HA SER 93 5.556 21.247 -2.208 689 1HB SER 93 2HB SER 93 3.917 20.479 -3.784 690 2HB SER 93 1HB SER 93 3.187 21.784 -2.848 691 HG SER 93 HG SER 93 2.906 21.853 -5.209 692 H ARG 94 H ARG 94 7.446 20.523 -2.936 693 HA ARG 94 HA ARG 94 8.020 20.670 -5.781 694 1HB ARG 94 2HB ARG 94 9.972 21.676 -3.702 695 2HB ARG 94 1HB ARG 94 10.346 21.427 -5.402 696 1HG ARG 94 2HG ARG 94 8.767 23.132 -6.043 697 2HG ARG 94 1HG ARG 94 8.258 23.332 -4.367 698 1HD ARG 94 2HD ARG 94 10.635 23.946 -3.832 699 2HD ARG 94 1HD ARG 94 10.940 23.962 -5.563 700 HE ARG 94 HE ARG 94 9.710 25.913 -5.762 701 1HH1 ARG 94 1HH1 ARG 94 9.468 24.691 -2.487 702 2HH1 ARG 94 2HH1 ARG 94 8.839 26.174 -1.858 703 1HH2 ARG 94 1HH2 ARG 94 8.867 27.845 -4.924 704 2HH2 ARG 94 2HH2 ARG 94 8.486 27.956 -3.238 705 H THR 95 H THR 95 8.522 18.657 -6.407 706 HA THR 95 HA THR 95 9.494 16.793 -4.389 707 HB THR 95 HB THR 95 7.438 16.348 -5.875 708 HG1 THR 95 1HG THR 95 7.798 14.205 -5.632 709 1HG2 THR 95 1HG2 THR 95 7.796 15.201 -7.924 710 2HG2 THR 95 2HG2 THR 95 9.545 15.347 -7.761 711 3HG2 THR 95 3HG2 THR 95 8.562 16.785 -8.038 712 H VAL 96 H VAL 96 11.230 15.342 -4.760 713 HA VAL 96 HA VAL 96 13.083 16.140 -6.901 714 HB VAL 96 HB VAL 96 13.941 15.605 -4.055 715 1HG1 VAL 96 1HG1 VAL 96 15.603 16.857 -6.213 716 2HG1 VAL 96 2HG1 VAL 96 15.495 15.104 -6.046 717 3HG1 VAL 96 3HG1 VAL 96 16.122 16.080 -4.717 718 1HG2 VAL 96 1HG2 VAL 96 13.099 18.077 -5.404 719 2HG2 VAL 96 2HG2 VAL 96 14.620 18.186 -4.517 720 3HG2 VAL 96 3HG2 VAL 96 13.149 17.678 -3.687 721 H ARG 97 H ARG 97 13.818 14.441 -8.028 722 HA ARG 97 HA ARG 97 13.343 11.769 -6.931 723 1HB ARG 97 2HB ARG 97 12.874 12.839 -9.433 724 2HB ARG 97 1HB ARG 97 14.346 11.910 -9.677 725 1HG ARG 97 2HG ARG 97 12.860 10.265 -10.087 726 2HG ARG 97 1HG ARG 97 12.928 10.093 -8.332 727 1HD ARG 97 2HD ARG 97 10.656 10.159 -8.687 728 2HD ARG 97 1HD ARG 97 11.004 11.859 -8.377 729 HE ARG 97 HE ARG 97 10.254 12.302 -10.475 730 1HH1 ARG 97 1HH1 ARG 97 11.373 8.987 -10.434 731 2HH1 ARG 97 2HH1 ARG 97 10.906 8.683 -12.073 732 1HH2 ARG 97 1HH2 ARG 97 9.643 11.892 -12.626 733 2HH2 ARG 97 2HH2 ARG 97 9.926 10.330 -13.315 734 H TRP 98 H TRP 98 14.971 11.012 -5.786 735 HA TRP 98 HA TRP 98 17.749 11.426 -6.703 736 1HB TRP 98 2HB TRP 98 16.454 11.696 -4.171 737 2HB TRP 98 1HB TRP 98 17.549 10.333 -4.047 738 HD1 TRP 98 HD TRP 98 19.093 11.580 -2.366 739 HE1 TRP 98 1HE TRP 98 20.849 13.435 -2.595 740 HE3 TRP 98 3HE TRP 98 17.851 13.296 -7.028 741 HZ2 TRP 98 2HZ TRP 98 21.611 15.362 -4.502 742 HZ3 TRP 98 3HZ TRP 98 19.148 15.147 -7.975 743 HH2 TRP 98 HH TRP 98 20.988 16.162 -6.739 744 H GLU 99 H GLU 99 18.753 9.688 -7.530 745 HA GLU 99 HA GLU 99 17.825 7.016 -6.715 746 1HB GLU 99 2HB GLU 99 18.465 7.947 -9.516 747 2HB GLU 99 1HB GLU 99 18.249 6.263 -9.069 748 1HG GLU 99 2HG GLU 99 16.178 6.775 -9.873 749 2HG GLU 99 1HG GLU 99 15.961 7.106 -8.157 750 H ASN 100 H ASN 100 19.419 5.301 -7.059 751 HA ASN 100 HA ASN 100 22.159 6.334 -6.749 752 1HB ASN 100 2HB ASN 100 22.545 4.040 -5.649 753 2HB ASN 100 1HB ASN 100 21.618 5.233 -4.746 754 1HD2 ASN 100 1HD2 ASN 100 19.475 4.879 -4.335 755 2HD2 ASN 100 2HD2 ASN 100 18.685 3.377 -4.660 756 H LYS 101 H LYS 101 20.405 3.484 -7.990 757 HA LYS 101 HA LYS 101 21.724 3.512 -10.481 758 1HB LYS 101 2HB LYS 101 23.009 1.350 -10.148 759 2HB LYS 101 1HB LYS 101 23.701 2.783 -9.402 760 1HG LYS 101 2HG LYS 101 23.907 1.399 -7.640 761 2HG LYS 101 1HG LYS 101 22.239 1.891 -7.347 762 1HD LYS 101 2HD LYS 101 21.841 -0.324 -7.303 763 2HD LYS 101 1HD LYS 101 21.874 -0.180 -9.062 764 1HE LYS 101 2HE LYS 101 23.732 -1.404 -9.216 765 2HE LYS 101 1HE LYS 101 24.535 -0.484 -7.945 766 1HZ LYS 101 1HZ LYS 101 23.680 -1.872 -6.301 767 2HZ LYS 101 2HZ LYS 101 24.119 -2.943 -7.535 768 3HZ LYS 101 3HZ LYS 101 22.494 -2.526 -7.315 769 H SER 102 H SER 102 20.282 1.368 -8.043 770 HA SER 102 HA SER 102 18.698 0.118 -10.190 771 1HB SER 102 2HB SER 102 19.961 -1.598 -9.179 772 2HB SER 102 1HB SER 102 19.700 -0.953 -7.558 773 HG SER 102 HG SER 102 18.372 -2.862 -8.547 774 H MET 103 H MET 103 18.506 1.083 -6.766 775 HA MET 103 HA MET 103 15.603 1.127 -6.913 776 1HB MET 103 2HB MET 103 17.623 1.075 -4.779 777 2HB MET 103 1HB MET 103 16.238 2.099 -4.427 778 1HG MET 103 2HG MET 103 14.732 0.254 -4.765 779 2HG MET 103 1HG MET 103 16.065 -0.785 -5.263 780 1HE MET 103 1HE MET 103 13.663 -0.549 -2.843 781 2HE MET 103 2HE MET 103 14.389 -1.365 -1.459 782 3HE MET 103 3HE MET 103 14.380 -2.148 -3.039 783 H TYR 104 H TYR 104 14.360 2.995 -6.280 784 HA TYR 104 HA TYR 104 15.727 5.530 -6.924 785 1HB TYR 104 2HB TYR 104 12.805 4.920 -7.388 786 2HB TYR 104 1HB TYR 104 13.704 6.324 -7.947 787 HD1 TYR 104 1HD TYR 104 12.036 4.048 -9.435 788 HD2 TYR 104 2HD TYR 104 16.177 4.888 -8.939 789 HE1 TYR 104 1HE TYR 104 12.519 2.888 -11.549 790 HE2 TYR 104 2HE TYR 104 16.671 3.732 -11.051 791 HH TYR 104 HH TYR 104 15.525 3.110 -13.121 792 H CYS 105 H CYS 105 14.860 7.456 -5.911 793 HA CYS 105 HA CYS 105 13.215 7.070 -3.541 794 1HB CYS 105 2HB CYS 105 15.843 6.839 -3.135 795 2HB CYS 105 1HB CYS 105 15.734 8.596 -3.096 796 HG CYS 105 HG CYS 105 14.673 6.683 -0.956 797 H ILE 106 H ILE 106 11.656 8.458 -4.149 798 HA ILE 106 HA ILE 106 12.394 11.129 -5.103 799 HB ILE 106 HB ILE 106 10.764 10.112 -6.504 800 1HG1 ILE 106 2HG1 ILE 106 8.901 11.758 -4.851 801 2HG1 ILE 106 1HG1 ILE 106 10.329 12.539 -5.523 802 1HG2 ILE 106 1HG2 ILE 106 9.616 9.179 -3.959 803 2HG2 ILE 106 2HG2 ILE 106 9.738 8.369 -5.520 804 3HG2 ILE 106 3HG2 ILE 106 8.467 9.559 -5.241 805 1HD1 ILE 106 1HD1 ILE 106 9.041 10.990 -7.548 806 2HD1 ILE 106 2HD1 ILE 106 9.337 12.728 -7.487 807 3HD1 ILE 106 3HD1 ILE 106 7.871 12.058 -6.772 808 H CYS 107 H CYS 107 12.599 12.671 -3.614 809 HA CYS 107 HA CYS 107 10.844 12.569 -1.248 810 1HB CYS 107 2HB CYS 107 13.184 12.193 -0.629 811 2HB CYS 107 1HB CYS 107 13.647 13.688 -1.431 812 HG CYS 107 HG CYS 107 12.443 13.454 1.351 813 H THR 108 H THR 108 9.425 14.140 -1.132 814 HA THR 108 HA THR 108 9.923 16.599 -2.646 815 HB THR 108 HB THR 108 7.986 15.208 -3.375 816 HG1 THR 108 1HG THR 108 6.868 16.959 -3.803 817 1HG2 THR 108 1HG2 THR 108 5.985 15.073 -2.083 818 2HG2 THR 108 2HG2 THR 108 6.702 16.020 -0.780 819 3HG2 THR 108 3HG2 THR 108 7.305 14.400 -1.126 820 H VAL 109 H VAL 109 9.526 18.582 -1.747 821 HA VAL 109 HA VAL 109 8.924 18.622 1.124 822 HB VAL 109 HB VAL 109 10.661 20.826 0.231 823 1HG1 VAL 109 1HG1 VAL 109 10.196 19.161 2.622 824 2HG1 VAL 109 2HG1 VAL 109 10.443 20.901 2.474 825 3HG1 VAL 109 3HG1 VAL 109 11.825 19.807 2.423 826 1HG2 VAL 109 1HG2 VAL 109 12.716 19.299 0.606 827 2HG2 VAL 109 2HG2 VAL 109 11.953 19.346 -0.984 828 3HG2 VAL 109 3HG2 VAL 109 11.629 18.000 0.109 829 H PHE 110 H PHE 110 7.358 20.006 1.698 830 HA PHE 110 HA PHE 110 6.551 22.018 -0.282 831 1HB PHE 110 2HB PHE 110 4.783 20.662 1.729 832 2HB PHE 110 1HB PHE 110 4.293 21.954 0.686 833 HD1 PHE 110 1HD PHE 110 2.655 21.096 -0.616 834 HD2 PHE 110 2HD PHE 110 6.250 18.859 -0.166 835 HE1 PHE 110 1HE PHE 110 1.876 19.503 -2.313 836 HE2 PHE 110 2HE PHE 110 5.473 17.280 -1.870 837 HZ PHE 110 HZ PHE 110 3.287 17.591 -2.944 838 H GLY 111 H GLY 111 7.591 23.769 0.388 839 1HA GLY 111 2HA GLY 111 7.832 24.415 3.203 840 2HA GLY 111 1HA GLY 111 8.494 25.340 1.860 841 H LEU 112 H LEU 112 5.684 24.743 3.832 842 HA LEU 112 HA LEU 112 4.173 26.830 2.483 843 1HB LEU 112 2HB LEU 112 3.533 24.887 4.693 844 2HB LEU 112 1HB LEU 112 2.431 26.165 4.224 845 HG LEU 112 HG LEU 112 1.911 25.158 2.193 846 1HD1 LEU 112 1HD1 LEU 112 3.181 23.545 1.015 847 2HD1 LEU 112 2HD1 LEU 112 4.285 23.338 2.373 848 3HD1 LEU 112 3HD1 LEU 112 4.276 24.850 1.465 849 1HD2 LEU 112 1HD2 LEU 112 2.570 22.654 3.646 850 2HD2 LEU 112 2HD2 LEU 112 1.131 23.070 2.716 851 3HD2 LEU 112 3HD2 LEU 112 1.384 23.777 4.313 852 H ALA 113 H ALA 113 3.726 28.807 3.286 853 HA ALA 113 HA ALA 113 5.336 29.714 5.523 854 1HB ALA 113 1HB ALA 113 3.445 31.459 3.994 855 2HB ALA 113 2HB ALA 113 4.964 30.930 3.271 856 3HB ALA 113 3HB ALA 113 4.978 31.875 4.761 857 H ILE 114 H ILE 114 4.133 28.456 7.124 858 HA ILE 114 HA ILE 114 2.684 28.315 8.874 859 HB ILE 114 HB ILE 114 1.859 31.133 8.171 860 1HG1 ILE 114 2HG1 ILE 114 3.823 30.721 10.330 861 2HG1 ILE 114 1HG1 ILE 114 4.429 30.367 8.716 862 1HG2 ILE 114 1HG2 ILE 114 1.485 31.219 10.677 863 2HG2 ILE 114 2HG2 ILE 114 1.638 29.463 10.660 864 3HG2 ILE 114 3HG2 ILE 114 0.348 30.244 9.745 865 1HD1 ILE 114 1HD1 ILE 114 3.999 32.569 7.976 866 2HD1 ILE 114 2HD1 ILE 114 4.802 32.703 9.541 867 3HD1 ILE 114 3HD1 ILE 114 3.058 32.942 9.420 868 1H MET 1 1HT MET 1 -12.285 -16.355 -13.392 869 HA MET 1 HA MET 1 -11.933 -14.402 -12.463 870 1HB MET 1 2HB MET 1 -13.985 -14.638 -14.052 871 2HB MET 1 1HB MET 1 -14.930 -14.292 -12.610 872 1HG MET 1 2HG MET 1 -13.626 -12.197 -12.331 873 2HG MET 1 1HG MET 1 -12.842 -12.534 -13.874 874 1HE MET 1 1HE MET 1 -14.325 -9.652 -13.849 875 2HE MET 1 2HE MET 1 -14.910 -10.356 -12.341 876 3HE MET 1 3HE MET 1 -16.059 -9.780 -13.550 877 H GLU 2 H GLU 2 -12.251 -16.281 -10.252 878 HA GLU 2 HA GLU 2 -13.871 -14.856 -8.301 879 1HB GLU 2 2HB GLU 2 -13.769 -17.370 -8.412 880 2HB GLU 2 1HB GLU 2 -12.104 -17.266 -7.858 881 1HG GLU 2 2HG GLU 2 -12.720 -16.506 -5.751 882 2HG GLU 2 1HG GLU 2 -14.321 -16.010 -6.293 883 H GLY 3 H GLY 3 -13.078 -13.806 -6.488 884 1HA GLY 3 2HA GLY 3 -11.240 -13.243 -5.011 885 2HA GLY 3 1HA GLY 3 -10.156 -13.409 -6.384 886 H VAL 4 H VAL 4 -13.237 -11.746 -6.550 887 HA VAL 4 HA VAL 4 -11.791 -9.268 -7.155 888 HB VAL 4 HB VAL 4 -14.720 -9.836 -7.613 889 1HG1 VAL 4 1HG1 VAL 4 -13.047 -7.840 -9.085 890 2HG1 VAL 4 2HG1 VAL 4 -13.735 -7.441 -7.511 891 3HG1 VAL 4 3HG1 VAL 4 -14.794 -7.880 -8.851 892 1HG2 VAL 4 1HG2 VAL 4 -13.724 -9.924 -10.079 893 2HG2 VAL 4 2HG2 VAL 4 -13.875 -11.364 -9.071 894 3HG2 VAL 4 3HG2 VAL 4 -12.321 -10.540 -9.207 895 H ASP 5 H ASP 5 -11.563 -7.887 -5.531 896 HA ASP 5 HA ASP 5 -13.856 -7.362 -3.789 897 1HB ASP 5 2HB ASP 5 -12.341 -8.959 -2.624 898 2HB ASP 5 1HB ASP 5 -11.047 -7.771 -2.745 899 HA PRO 6 HA PRO 6 -12.179 -3.359 -5.285 900 1HB PRO 6 2HB PRO 6 -14.494 -1.988 -5.060 901 2HB PRO 6 1HB PRO 6 -14.159 -3.054 -6.431 902 1HG PRO 6 2HG PRO 6 -15.741 -3.619 -3.944 903 2HG PRO 6 1HG PRO 6 -16.169 -3.951 -5.634 904 1HD PRO 6 2HD PRO 6 -15.181 -5.861 -4.021 905 2HD PRO 6 1HD PRO 6 -14.784 -5.802 -5.751 906 H ALA 7 H ALA 7 -11.252 -3.932 -2.920 907 HA ALA 7 HA ALA 7 -10.989 -1.668 -1.449 908 1HB ALA 7 1HB ALA 7 -12.455 -2.188 0.592 909 2HB ALA 7 2HB ALA 7 -13.392 -3.212 -0.496 910 3HB ALA 7 3HB ALA 7 -13.249 -1.484 -0.816 911 H VAL 8 H VAL 8 -12.055 -4.757 -0.123 912 HA VAL 8 HA VAL 8 -11.032 -6.416 1.030 913 HB VAL 8 HB VAL 8 -8.250 -5.850 0.236 914 1HG1 VAL 8 1HG1 VAL 8 -8.099 -8.112 0.071 915 2HG1 VAL 8 2HG1 VAL 8 -9.768 -8.299 -0.472 916 3HG1 VAL 8 3HG1 VAL 8 -9.424 -7.959 1.225 917 1HG2 VAL 8 1HG2 VAL 8 -10.383 -6.128 -1.840 918 2HG2 VAL 8 2HG2 VAL 8 -8.756 -6.750 -2.117 919 3HG2 VAL 8 3HG2 VAL 8 -9.003 -5.033 -1.798 920 H GLU 9 H GLU 9 -8.403 -4.053 0.950 921 HA GLU 9 HA GLU 9 -8.302 -4.160 3.875 922 1HB GLU 9 2HB GLU 9 -6.328 -4.101 1.725 923 2HB GLU 9 1HB GLU 9 -5.979 -2.965 3.003 924 1HG GLU 9 2HG GLU 9 -6.737 -5.592 3.990 925 2HG GLU 9 1HG GLU 9 -5.299 -5.613 2.971 926 H GLU 10 H GLU 10 -9.954 -2.605 4.176 927 HA GLU 10 HA GLU 10 -9.756 0.026 3.068 928 1HB GLU 10 2HB GLU 10 -11.906 -1.032 3.709 929 2HB GLU 10 1HB GLU 10 -11.416 -0.956 5.395 930 1HG GLU 10 2HG GLU 10 -11.546 1.512 3.712 931 2HG GLU 10 1HG GLU 10 -12.985 0.851 4.485 932 H ALA 11 H ALA 11 -8.539 1.651 3.760 933 HA ALA 11 HA ALA 11 -7.436 1.521 6.489 934 1HB ALA 11 1HB ALA 11 -5.434 2.207 5.727 935 2HB ALA 11 2HB ALA 11 -6.142 3.329 4.565 936 3HB ALA 11 3HB ALA 11 -6.031 1.613 4.177 937 H ALA 12 H ALA 12 -7.687 3.220 7.857 938 HA ALA 12 HA ALA 12 -8.169 5.874 7.285 939 1HB ALA 12 1HB ALA 12 -10.708 4.266 7.420 940 2HB ALA 12 2HB ALA 12 -10.210 5.433 6.195 941 3HB ALA 12 3HB ALA 12 -10.664 5.986 7.806 942 H PHE 13 H PHE 13 -9.588 6.908 9.216 943 HA PHE 13 HA PHE 13 -9.112 5.426 11.683 944 1HB PHE 13 2HB PHE 13 -7.068 6.700 11.388 945 2HB PHE 13 1HB PHE 13 -7.983 8.182 11.149 946 HD1 PHE 13 1HD PHE 13 -7.198 9.507 12.908 947 HD2 PHE 13 2HD PHE 13 -8.586 5.562 13.706 948 HE1 PHE 13 1HE PHE 13 -7.076 9.957 15.323 949 HE2 PHE 13 2HE PHE 13 -8.468 6.007 16.123 950 HZ PHE 13 HZ PHE 13 -7.712 8.206 16.934 951 H VAL 14 H VAL 14 -9.775 8.906 11.438 952 HA VAL 14 HA VAL 14 -12.537 8.351 12.303 953 HB VAL 14 HB VAL 14 -10.858 10.663 13.282 954 1HG1 VAL 14 1HG1 VAL 14 -12.999 11.408 13.559 955 2HG1 VAL 14 2HG1 VAL 14 -12.811 10.501 15.059 956 3HG1 VAL 14 3HG1 VAL 14 -13.666 9.781 13.696 957 1HG2 VAL 14 1HG2 VAL 14 -11.226 9.240 15.495 958 2HG2 VAL 14 2HG2 VAL 14 -9.838 8.988 14.437 959 3HG2 VAL 14 3HG2 VAL 14 -11.231 7.914 14.333 960 H ALA 15 H ALA 15 -13.245 8.632 10.131 961 HA ALA 15 HA ALA 15 -14.096 11.226 9.497 962 1HB ALA 15 1HB ALA 15 -12.776 11.668 7.467 963 2HB ALA 15 2HB ALA 15 -11.755 10.281 7.847 964 3HB ALA 15 3HB ALA 15 -11.787 11.674 8.926 965 H ASP 16 H ASP 16 -15.871 9.586 9.490 966 HA ASP 16 HA ASP 16 -16.088 7.706 7.375 967 1HB ASP 16 2HB ASP 16 -18.213 8.984 9.109 968 2HB ASP 16 1HB ASP 16 -18.502 7.642 8.007 969 H ASP 17 H ASP 17 -17.126 11.042 7.800 970 HA ASP 17 HA ASP 17 -18.763 11.329 5.573 971 1HB ASP 17 2HB ASP 17 -18.056 13.771 5.685 972 2HB ASP 17 1HB ASP 17 -18.737 13.089 7.158 973 H VAL 18 H VAL 18 -15.263 11.941 5.833 974 HA VAL 18 HA VAL 18 -15.015 12.459 3.008 975 HB VAL 18 HB VAL 18 -12.782 11.971 4.978 976 1HG1 VAL 18 1HG1 VAL 18 -11.727 11.999 2.957 977 2HG1 VAL 18 2HG1 VAL 18 -11.779 13.733 3.271 978 3HG1 VAL 18 3HG1 VAL 18 -12.967 12.995 2.198 979 1HG2 VAL 18 1HG2 VAL 18 -12.713 14.405 5.283 980 2HG2 VAL 18 2HG2 VAL 18 -14.236 13.717 5.846 981 3HG2 VAL 18 3HG2 VAL 18 -14.168 14.563 4.300 982 H SER 19 H SER 19 -14.539 9.759 5.167 983 HA SER 19 HA SER 19 -12.952 8.124 3.559 984 1HB SER 19 2HB SER 19 -13.159 7.358 5.742 985 2HB SER 19 1HB SER 19 -14.900 7.623 5.777 986 HG SER 19 HG SER 19 -15.183 5.799 4.524 987 H ASN 20 H ASN 20 -16.480 8.472 3.685 988 HA ASN 20 HA ASN 20 -16.978 6.399 1.805 989 1HB ASN 20 2HB ASN 20 -19.265 7.143 1.817 990 2HB ASN 20 1HB ASN 20 -18.648 7.234 3.463 991 1HD2 ASN 20 1HD2 ASN 20 -18.842 9.087 4.521 992 2HD2 ASN 20 2HD2 ASN 20 -19.316 10.595 3.822 993 H ILE 21 H ILE 21 -16.640 9.911 1.489 994 HA ILE 21 HA ILE 21 -17.490 10.224 -1.139 995 HB ILE 21 HB ILE 21 -15.316 11.721 0.351 996 1HG1 ILE 21 2HG1 ILE 21 -18.193 12.492 -0.140 997 2HG1 ILE 21 1HG1 ILE 21 -17.630 11.701 1.328 998 1HG2 ILE 21 1HG2 ILE 21 -15.819 13.579 -1.255 999 2HG2 ILE 21 2HG2 ILE 21 -16.706 12.407 -2.231 1000 3HG2 ILE 21 3HG2 ILE 21 -14.976 12.197 -1.957 1001 1HD1 ILE 21 1HD1 ILE 21 -16.794 14.405 0.312 1002 2HD1 ILE 21 2HD1 ILE 21 -16.126 13.608 1.738 1003 3HD1 ILE 21 3HD1 ILE 21 -17.829 14.065 1.698 1004 H ILE 22 H ILE 22 -14.105 9.716 -0.040 1005 HA ILE 22 HA ILE 22 -13.004 9.592 -2.606 1006 HB ILE 22 HB ILE 22 -11.200 8.116 -1.478 1007 1HG1 ILE 22 2HG1 ILE 22 -11.727 9.126 1.151 1008 2HG1 ILE 22 1HG1 ILE 22 -13.122 8.198 0.626 1009 1HG2 ILE 22 1HG2 ILE 22 -11.720 10.911 -0.482 1010 2HG2 ILE 22 2HG2 ILE 22 -10.970 10.486 -2.021 1011 3HG2 ILE 22 3HG2 ILE 22 -10.164 10.080 -0.506 1012 1HD1 ILE 22 1HD1 ILE 22 -11.731 6.682 1.732 1013 2HD1 ILE 22 2HD1 ILE 22 -10.289 7.282 0.911 1014 3HD1 ILE 22 3HD1 ILE 22 -11.496 6.362 0.013 1015 H LYS 23 H LYS 23 -13.984 6.883 -0.501 1016 HA LYS 23 HA LYS 23 -13.416 4.816 -2.281 1017 1HB LYS 23 2HB LYS 23 -15.489 5.042 -0.102 1018 2HB LYS 23 1HB LYS 23 -15.089 3.541 -0.911 1019 1HG LYS 23 2HG LYS 23 -12.898 3.551 -0.080 1020 2HG LYS 23 1HG LYS 23 -13.072 5.205 0.515 1021 1HD LYS 23 2HD LYS 23 -15.110 4.134 1.814 1022 2HD LYS 23 1HD LYS 23 -14.142 2.676 1.633 1023 1HE LYS 23 2HE LYS 23 -12.212 3.982 2.527 1024 2HE LYS 23 1HE LYS 23 -13.360 5.255 2.918 1025 1HZ LYS 23 1HZ LYS 23 -14.332 4.005 4.560 1026 2HZ LYS 23 2HZ LYS 23 -12.729 3.481 4.690 1027 3HZ LYS 23 3HZ LYS 23 -13.867 2.527 3.880 1028 H GLU 24 H GLU 24 -16.508 6.460 -1.678 1029 HA GLU 24 HA GLU 24 -18.061 5.171 -3.596 1030 1HB GLU 24 2HB GLU 24 -18.153 7.880 -2.322 1031 2HB GLU 24 1HB GLU 24 -19.223 7.551 -3.664 1032 1HG GLU 24 2HG GLU 24 -19.631 5.358 -2.112 1033 2HG GLU 24 1HG GLU 24 -19.321 6.602 -0.901 1034 H SER 25 H SER 25 -15.767 7.786 -3.887 1035 HA SER 25 HA SER 25 -16.392 8.557 -6.533 1036 1HB SER 25 2HB SER 25 -14.981 9.800 -4.749 1037 2HB SER 25 1HB SER 25 -13.644 8.811 -5.332 1038 HG SER 25 HG SER 25 -14.052 9.662 -7.428 1039 H ILE 26 H ILE 26 -13.915 6.293 -5.230 1040 HA ILE 26 HA ILE 26 -12.744 5.690 -7.709 1041 HB ILE 26 HB ILE 26 -12.931 4.098 -5.159 1042 1HG1 ILE 26 2HG1 ILE 26 -10.420 4.369 -5.350 1043 2HG1 ILE 26 1HG1 ILE 26 -10.728 5.452 -6.702 1044 1HG2 ILE 26 1HG2 ILE 26 -12.069 3.111 -7.835 1045 2HG2 ILE 26 2HG2 ILE 26 -12.816 2.237 -6.497 1046 3HG2 ILE 26 3HG2 ILE 26 -11.102 2.647 -6.434 1047 1HD1 ILE 26 1HD1 ILE 26 -11.632 5.831 -3.865 1048 2HD1 ILE 26 2HD1 ILE 26 -12.026 6.894 -5.212 1049 3HD1 ILE 26 3HD1 ILE 26 -10.351 6.713 -4.696 1050 H ASP 27 H ASP 27 -15.523 4.281 -6.060 1051 HA ASP 27 HA ASP 27 -16.066 2.160 -7.752 1052 1HB ASP 27 2HB ASP 27 -17.291 2.698 -5.638 1053 2HB ASP 27 1HB ASP 27 -18.114 3.997 -6.490 1054 H ALA 28 H ALA 28 -16.747 5.573 -8.141 1055 HA ALA 28 HA ALA 28 -18.137 5.148 -10.671 1056 1HB ALA 28 1HB ALA 28 -18.758 7.411 -10.552 1057 2HB ALA 28 2HB ALA 28 -17.435 7.805 -9.454 1058 3HB ALA 28 3HB ALA 28 -18.800 6.846 -8.881 1059 H VAL 29 H VAL 29 -15.170 6.652 -9.497 1060 HA VAL 29 HA VAL 29 -14.307 7.572 -12.026 1061 HB VAL 29 HB VAL 29 -13.413 7.697 -9.249 1062 1HG1 VAL 29 1HG1 VAL 29 -11.104 8.531 -9.999 1063 2HG1 VAL 29 2HG1 VAL 29 -11.312 7.401 -11.328 1064 3HG1 VAL 29 3HG1 VAL 29 -11.347 6.830 -9.661 1065 1HG2 VAL 29 1HG2 VAL 29 -14.196 9.424 -11.262 1066 2HG2 VAL 29 2HG2 VAL 29 -12.499 9.801 -10.979 1067 3HG2 VAL 29 3HG2 VAL 29 -13.647 9.848 -9.644 1068 H LEU 30 H LEU 30 -14.476 4.453 -10.832 1069 HA LEU 30 HA LEU 30 -12.374 3.608 -12.697 1070 1HB LEU 30 2HB LEU 30 -13.072 2.484 -10.007 1071 2HB LEU 30 1HB LEU 30 -12.314 1.484 -11.230 1072 HG LEU 30 HG LEU 30 -10.606 2.352 -9.756 1073 1HD1 LEU 30 1HD1 LEU 30 -10.338 4.074 -12.169 1074 2HD1 LEU 30 2HD1 LEU 30 -10.357 2.321 -12.351 1075 3HD1 LEU 30 3HD1 LEU 30 -9.124 3.093 -11.352 1076 1HD2 LEU 30 1HD2 LEU 30 -10.364 4.535 -9.140 1077 2HD2 LEU 30 2HD2 LEU 30 -12.115 4.458 -9.304 1078 3HD2 LEU 30 3HD2 LEU 30 -11.140 5.143 -10.600 1079 H GLN 31 H GLN 31 -15.600 2.898 -11.337 1080 HA GLN 31 HA GLN 31 -16.005 0.742 -13.227 1081 1HB GLN 31 2HB GLN 31 -17.049 0.920 -10.890 1082 2HB GLN 31 1HB GLN 31 -18.165 2.053 -11.623 1083 1HG GLN 31 2HG GLN 31 -18.965 0.422 -13.135 1084 2HG GLN 31 1HG GLN 31 -17.745 -0.720 -12.597 1085 1HE2 GLN 31 1HE2 GLN 31 -17.869 -1.485 -10.391 1086 2HE2 GLN 31 2HE2 GLN 31 -19.410 -1.601 -9.619 1087 H ASN 32 H ASN 32 -16.313 4.149 -13.320 1088 HA ASN 32 HA ASN 32 -18.488 4.749 -14.813 1089 1HB ASN 32 2HB ASN 32 -16.931 6.435 -16.024 1090 2HB ASN 32 1HB ASN 32 -17.152 6.575 -14.285 1091 1HD2 ASN 32 1HD2 ASN 32 -14.933 7.101 -16.400 1092 2HD2 ASN 32 2HD2 ASN 32 -13.516 6.523 -15.602 1093 H GLN 33 H GLN 33 -15.704 2.951 -15.951 1094 HA GLN 33 HA GLN 33 -17.168 2.388 -18.402 1095 1HB GLN 33 2HB GLN 33 -15.796 4.266 -19.055 1096 2HB GLN 33 1HB GLN 33 -14.360 3.504 -18.389 1097 1HG GLN 33 2HG GLN 33 -14.324 1.866 -20.088 1098 2HG GLN 33 1HG GLN 33 -15.949 2.287 -20.626 1099 1HE2 GLN 33 1HE2 GLN 33 -15.961 4.897 -20.945 1100 2HE2 GLN 33 2HE2 GLN 33 -14.770 5.417 -22.083 1101 H GLN 34 H GLN 34 -13.735 1.629 -18.153 1102 HA GLN 34 HA GLN 34 -14.355 -1.060 -17.199 1103 1HB GLN 34 2HB GLN 34 -14.228 -0.645 -19.870 1104 2HB GLN 34 1HB GLN 34 -12.534 -0.964 -19.527 1105 1HG GLN 34 2HG GLN 34 -13.767 -2.968 -18.154 1106 2HG GLN 34 1HG GLN 34 -14.826 -2.774 -19.550 1107 1HE2 GLN 34 1HE2 GLN 34 -13.863 -2.920 -21.666 1108 2HE2 GLN 34 2HE2 GLN 34 -12.466 -3.908 -21.903 1109 H TYR 35 H TYR 35 -12.112 -2.349 -17.216 1110 HA TYR 35 HA TYR 35 -10.333 -0.719 -15.590 1111 1HB TYR 35 2HB TYR 35 -10.912 -2.861 -14.665 1112 2HB TYR 35 1HB TYR 35 -10.458 -3.689 -16.148 1113 HD1 TYR 35 1HD TYR 35 -8.108 -4.074 -16.689 1114 HD2 TYR 35 2HD TYR 35 -9.233 -2.155 -13.061 1115 HE1 TYR 35 1HE TYR 35 -5.847 -4.448 -15.797 1116 HE2 TYR 35 2HE TYR 35 -6.972 -2.524 -12.161 1117 HH TYR 35 HH TYR 35 -4.699 -4.586 -13.691 1118 H SER 36 H SER 36 -8.827 0.408 -16.607 1119 HA SER 36 HA SER 36 -7.214 -0.927 -18.666 1120 1HB SER 36 2HB SER 36 -8.855 1.472 -18.973 1121 2HB SER 36 1HB SER 36 -7.171 1.744 -19.420 1122 HG SER 36 HG SER 36 -8.979 0.646 -20.901 1123 H GLU 37 H GLU 37 -5.044 -0.693 -18.381 1124 HA GLU 37 HA GLU 37 -4.074 0.391 -15.968 1125 1HB GLU 37 2HB GLU 37 -2.926 -1.414 -17.192 1126 2HB GLU 37 1HB GLU 37 -2.512 -0.273 -18.467 1127 1HG GLU 37 2HG GLU 37 -0.694 0.320 -17.368 1128 2HG GLU 37 1HG GLU 37 -1.669 0.837 -16.003 1129 H ALA 38 H ALA 38 -4.203 1.677 -19.247 1130 HA ALA 38 HA ALA 38 -2.590 3.938 -18.866 1131 1HB ALA 38 1HB ALA 38 -4.023 4.903 -20.743 1132 2HB ALA 38 2HB ALA 38 -4.878 3.361 -20.719 1133 3HB ALA 38 3HB ALA 38 -3.152 3.407 -21.080 1134 H LYS 39 H LYS 39 -5.882 3.255 -17.983 1135 HA LYS 39 HA LYS 39 -6.322 6.012 -17.134 1136 1HB LYS 39 2HB LYS 39 -8.059 3.677 -17.715 1137 2HB LYS 39 1HB LYS 39 -8.616 4.820 -16.508 1138 1HG LYS 39 2HG LYS 39 -9.560 5.656 -18.405 1139 2HG LYS 39 1HG LYS 39 -8.077 6.600 -18.309 1140 1HD LYS 39 2HD LYS 39 -8.356 5.862 -20.561 1141 2HD LYS 39 1HD LYS 39 -7.021 4.955 -19.851 1142 1HE LYS 39 2HE LYS 39 -8.059 3.120 -20.579 1143 2HE LYS 39 1HE LYS 39 -9.236 3.399 -19.297 1144 1HZ LYS 39 1HZ LYS 39 -10.638 4.566 -20.806 1145 2HZ LYS 39 2HZ LYS 39 -10.220 3.097 -21.535 1146 3HZ LYS 39 3HZ LYS 39 -9.470 4.530 -22.029 1147 H VAL 40 H VAL 40 -5.383 2.977 -15.858 1148 HA VAL 40 HA VAL 40 -6.428 2.892 -13.324 1149 HB VAL 40 HB VAL 40 -3.900 1.935 -14.563 1150 1HG1 VAL 40 1HG1 VAL 40 -3.006 0.982 -12.528 1151 2HG1 VAL 40 2HG1 VAL 40 -4.270 1.761 -11.579 1152 3HG1 VAL 40 3HG1 VAL 40 -3.055 2.739 -12.403 1153 1HG2 VAL 40 1HG2 VAL 40 -4.776 -0.167 -14.185 1154 2HG2 VAL 40 2HG2 VAL 40 -6.215 0.811 -14.472 1155 3HG2 VAL 40 3HG2 VAL 40 -5.758 0.376 -12.825 1156 H SER 41 H SER 41 -4.084 5.130 -14.589 1157 HA SER 41 HA SER 41 -3.599 6.219 -11.907 1158 1HB SER 41 2HB SER 41 -2.203 7.033 -14.458 1159 2HB SER 41 1HB SER 41 -1.677 7.308 -12.798 1160 HG SER 41 HG SER 41 -1.614 4.920 -12.671 1161 H GLN 42 H GLN 42 -4.777 7.064 -15.121 1162 HA GLN 42 HA GLN 42 -5.230 9.805 -14.557 1163 1HB GLN 42 2HB GLN 42 -6.168 7.917 -16.686 1164 2HB GLN 42 1HB GLN 42 -6.907 9.504 -16.549 1165 1HG GLN 42 2HG GLN 42 -5.060 9.369 -18.199 1166 2HG GLN 42 1HG GLN 42 -4.834 10.594 -16.953 1167 1HE2 GLN 42 1HE2 GLN 42 -2.648 10.703 -17.006 1168 2HE2 GLN 42 2HE2 GLN 42 -1.605 9.397 -16.569 1169 H TRP 43 H TRP 43 -7.216 6.924 -14.166 1170 HA TRP 43 HA TRP 43 -9.643 8.216 -13.687 1171 1HB TRP 43 2HB TRP 43 -8.558 5.576 -12.827 1172 2HB TRP 43 1HB TRP 43 -10.115 6.132 -12.240 1173 HD1 TRP 43 HD TRP 43 -9.643 3.565 -14.055 1174 HE1 TRP 43 1HE TRP 43 -10.890 3.349 -16.258 1175 HE3 TRP 43 3HE TRP 43 -10.842 8.510 -14.915 1176 HZ2 TRP 43 2HZ TRP 43 -12.202 4.963 -18.129 1177 HZ3 TRP 43 3HZ TRP 43 -12.091 9.051 -16.943 1178 HH2 TRP 43 HH TRP 43 -12.763 7.318 -18.520 1179 H THR 44 H THR 44 -7.218 7.070 -11.344 1180 HA THR 44 HA THR 44 -8.502 7.981 -9.055 1181 HB THR 44 HB THR 44 -6.431 6.534 -9.203 1182 HG1 THR 44 1HG THR 44 -7.083 7.145 -7.203 1183 1HG2 THR 44 1HG2 THR 44 -4.500 7.316 -9.896 1184 2HG2 THR 44 2HG2 THR 44 -4.539 8.558 -8.644 1185 3HG2 THR 44 3HG2 THR 44 -5.251 8.877 -10.225 1186 H SER 45 H SER 45 -6.841 9.760 -11.500 1187 HA SER 45 HA SER 45 -6.451 12.152 -9.978 1188 1HB SER 45 2HB SER 45 -5.918 11.263 -12.668 1189 2HB SER 45 1HB SER 45 -6.740 12.821 -12.722 1190 HG SER 45 HG SER 45 -5.106 13.742 -11.639 1191 H SER 46 H SER 46 -8.922 10.796 -12.071 1192 HA SER 46 HA SER 46 -10.682 13.027 -12.022 1193 1HB SER 46 2HB SER 46 -10.930 10.144 -12.776 1194 2HB SER 46 1HB SER 46 -12.406 11.063 -12.493 1195 HG SER 46 HG SER 46 -10.454 11.386 -14.476 1196 H CYS 47 H CYS 47 -10.129 10.252 -9.956 1197 HA CYS 47 HA CYS 47 -12.392 10.506 -8.277 1198 1HB CYS 47 2HB CYS 47 -11.123 8.490 -8.064 1199 2HB CYS 47 1HB CYS 47 -9.625 9.363 -7.858 1200 HG CYS 47 HG CYS 47 -10.328 9.889 -5.416 1201 H LEU 48 H LEU 48 -9.208 11.946 -8.330 1202 HA LEU 48 HA LEU 48 -9.379 13.327 -5.890 1203 1HB LEU 48 2HB LEU 48 -7.657 13.418 -8.303 1204 2HB LEU 48 1HB LEU 48 -7.647 14.829 -7.270 1205 HG LEU 48 HG LEU 48 -6.558 13.761 -5.572 1206 1HD1 LEU 48 1HD1 LEU 48 -8.135 12.078 -5.025 1207 2HD1 LEU 48 2HD1 LEU 48 -6.594 11.262 -5.262 1208 3HD1 LEU 48 3HD1 LEU 48 -7.825 11.204 -6.522 1209 1HD2 LEU 48 1HD2 LEU 48 -4.896 12.132 -6.550 1210 2HD2 LEU 48 2HD2 LEU 48 -5.002 13.701 -7.349 1211 3HD2 LEU 48 3HD2 LEU 48 -5.772 12.290 -8.073 1212 H GLU 49 H GLU 49 -10.356 14.120 -9.185 1213 HA GLU 49 HA GLU 49 -11.099 16.792 -8.403 1214 1HB GLU 49 2HB GLU 49 -10.471 16.105 -10.785 1215 2HB GLU 49 1HB GLU 49 -12.107 15.449 -10.888 1216 1HG GLU 49 2HG GLU 49 -12.812 17.769 -9.998 1217 2HG GLU 49 1HG GLU 49 -11.233 18.287 -10.561 1218 H HIS 50 H HIS 50 -12.591 13.660 -8.649 1219 HA HIS 50 HA HIS 50 -15.244 14.697 -8.113 1220 1HB HIS 50 2HB HIS 50 -14.154 11.878 -8.313 1221 2HB HIS 50 1HB HIS 50 -15.840 12.249 -7.973 1222 HD1 HIS 50 1HD HIS 50 -16.910 11.432 -10.091 1223 HD2 HIS 50 2HD HIS 50 -13.711 13.987 -10.802 1224 HE1 HIS 50 1HE HIS 50 -16.949 11.886 -12.565 1225 HE2 HIS 50 2HE HIS 50 -14.954 13.366 -12.984 1226 H CYS 51 H CYS 51 -12.562 14.434 -6.261 1227 HA CYS 51 HA CYS 51 -13.993 13.601 -3.835 1228 1HB CYS 51 2HB CYS 51 -11.799 12.406 -4.369 1229 2HB CYS 51 1HB CYS 51 -10.993 13.964 -4.210 1230 HG CYS 51 HG CYS 51 -10.964 12.472 -1.970 1231 H ILE 52 H ILE 52 -11.859 15.961 -5.301 1232 HA ILE 52 HA ILE 52 -11.886 17.841 -3.202 1233 HB ILE 52 HB ILE 52 -10.197 17.638 -5.040 1234 1HG1 ILE 52 2HG1 ILE 52 -10.262 19.583 -3.598 1235 2HG1 ILE 52 1HG1 ILE 52 -9.715 19.977 -5.223 1236 1HG2 ILE 52 1HG2 ILE 52 -10.518 18.368 -7.186 1237 2HG2 ILE 52 2HG2 ILE 52 -11.933 19.326 -6.755 1238 3HG2 ILE 52 3HG2 ILE 52 -12.045 17.569 -6.828 1239 1HD1 ILE 52 1HD1 ILE 52 -12.094 20.819 -3.770 1240 2HD1 ILE 52 2HD1 ILE 52 -12.322 20.453 -5.479 1241 3HD1 ILE 52 3HD1 ILE 52 -11.140 21.666 -4.982 1242 H LYS 53 H LYS 53 -13.879 17.379 -6.098 1243 HA LYS 53 HA LYS 53 -15.319 19.818 -5.828 1244 1HB LYS 53 2HB LYS 53 -15.581 17.356 -7.472 1245 2HB LYS 53 1HB LYS 53 -17.027 18.325 -7.266 1246 1HG LYS 53 2HG LYS 53 -15.753 18.838 -9.324 1247 2HG LYS 53 1HG LYS 53 -15.981 20.221 -8.267 1248 1HD LYS 53 2HD LYS 53 -13.533 18.737 -7.747 1249 2HD LYS 53 1HD LYS 53 -13.608 19.437 -9.358 1250 1HE LYS 53 2HE LYS 53 -14.001 20.931 -6.768 1251 2HE LYS 53 1HE LYS 53 -12.550 20.961 -7.764 1252 1HZ LYS 53 1HZ LYS 53 -14.624 22.693 -7.951 1253 2HZ LYS 53 2HZ LYS 53 -14.935 21.623 -9.223 1254 3HZ LYS 53 3HZ LYS 53 -13.454 22.436 -9.145 1255 H ARG 54 H ARG 54 -15.706 16.618 -4.520 1256 HA ARG 54 HA ARG 54 -18.409 17.023 -3.634 1257 1HB ARG 54 2HB ARG 54 -17.486 14.782 -4.125 1258 2HB ARG 54 1HB ARG 54 -16.398 14.947 -2.755 1259 1HG ARG 54 2HG ARG 54 -18.000 13.861 -1.634 1260 2HG ARG 54 1HG ARG 54 -18.790 15.435 -1.578 1261 1HD ARG 54 2HD ARG 54 -20.508 14.598 -2.694 1262 2HD ARG 54 1HD ARG 54 -19.454 14.258 -4.062 1263 HE ARG 54 HE ARG 54 -20.424 12.383 -2.082 1264 1HH1 ARG 54 1HH1 ARG 54 -18.087 12.960 -4.622 1265 2HH1 ARG 54 2HH1 ARG 54 -17.805 11.278 -4.905 1266 1HH2 ARG 54 1HH2 ARG 54 -20.044 10.178 -2.464 1267 2HH2 ARG 54 2HH2 ARG 54 -18.911 9.702 -3.685 1268 H LEU 55 H LEU 55 -15.235 17.032 -2.091 1269 HA LEU 55 HA LEU 55 -16.095 17.470 0.536 1270 1HB LEU 55 2HB LEU 55 -13.524 18.279 -0.819 1271 2HB LEU 55 1HB LEU 55 -13.788 18.299 0.916 1272 HG LEU 55 HG LEU 55 -14.134 15.779 -0.674 1273 1HD1 LEU 55 1HD1 LEU 55 -11.661 17.186 -0.184 1274 2HD1 LEU 55 2HD1 LEU 55 -11.962 15.729 -1.130 1275 3HD1 LEU 55 3HD1 LEU 55 -11.670 15.609 0.605 1276 1HD2 LEU 55 1HD2 LEU 55 -14.965 15.300 1.361 1277 2HD2 LEU 55 2HD2 LEU 55 -14.025 16.557 2.166 1278 3HD2 LEU 55 3HD2 LEU 55 -13.261 15.029 1.724 1279 H THR 56 H THR 56 -15.537 19.670 -2.120 1280 HA THR 56 HA THR 56 -15.817 22.031 -0.499 1281 HB THR 56 HB THR 56 -15.647 23.258 -2.558 1282 HG1 THR 56 1HG THR 56 -16.659 22.414 -4.184 1283 1HG2 THR 56 1HG2 THR 56 -13.733 21.844 -3.715 1284 2HG2 THR 56 2HG2 THR 56 -13.828 20.957 -2.192 1285 3HG2 THR 56 3HG2 THR 56 -13.495 22.684 -2.185 1286 H ALA 57 H ALA 57 -17.858 19.975 -2.458 1287 HA ALA 57 HA ALA 57 -20.114 21.649 -2.664 1288 1HB ALA 57 1HB ALA 57 -19.667 18.696 -2.794 1289 2HB ALA 57 2HB ALA 57 -20.257 19.798 -4.040 1290 3HB ALA 57 3HB ALA 57 -21.316 19.317 -2.713 1291 H LEU 58 H LEU 58 -18.934 19.465 -0.192 1292 HA LEU 58 HA LEU 58 -21.223 19.842 1.532 1293 1HB LEU 58 2HB LEU 58 -18.803 18.181 1.456 1294 2HB LEU 58 1HB LEU 58 -19.252 18.700 3.065 1295 HG LEU 58 HG LEU 58 -21.549 17.684 1.602 1296 1HD1 LEU 58 1HD1 LEU 58 -19.421 16.368 0.731 1297 2HD1 LEU 58 2HD1 LEU 58 -20.949 15.554 1.072 1298 3HD1 LEU 58 3HD1 LEU 58 -19.642 15.507 2.254 1299 1HD2 LEU 58 1HD2 LEU 58 -21.893 17.770 3.857 1300 2HD2 LEU 58 2HD2 LEU 58 -20.233 17.316 4.241 1301 3HD2 LEU 58 3HD2 LEU 58 -21.378 16.091 3.695 1302 H ASN 59 H ASN 59 -17.989 21.095 1.109 1303 HA ASN 59 HA ASN 59 -16.736 22.648 2.201 1304 1HB ASN 59 2HB ASN 59 -17.934 24.790 2.590 1305 2HB ASN 59 1HB ASN 59 -18.248 24.090 1.007 1306 1HD2 ASN 59 1HD2 ASN 59 -20.283 23.354 0.512 1307 2HD2 ASN 59 2HD2 ASN 59 -21.664 23.676 1.500 1308 H LYS 60 H LYS 60 -16.341 21.176 4.022 1309 HA LYS 60 HA LYS 60 -16.420 22.436 6.464 1310 1HB LYS 60 2HB LYS 60 -18.949 21.207 5.876 1311 2HB LYS 60 1HB LYS 60 -18.214 20.371 7.236 1312 1HG LYS 60 2HG LYS 60 -18.383 23.360 7.171 1313 2HG LYS 60 1HG LYS 60 -19.745 22.373 7.705 1314 1HD LYS 60 2HD LYS 60 -16.976 22.097 8.856 1315 2HD LYS 60 1HD LYS 60 -18.182 23.203 9.518 1316 1HE LYS 60 2HE LYS 60 -19.336 21.546 10.492 1317 2HE LYS 60 1HE LYS 60 -19.179 20.486 9.092 1318 1HZ LYS 60 1HZ LYS 60 -16.915 20.979 10.929 1319 2HZ LYS 60 2HZ LYS 60 -17.113 19.718 9.820 1320 3HZ LYS 60 3HZ LYS 60 -18.053 19.762 11.226 1321 HA PRO 61 HA PRO 61 -14.552 22.723 6.867 1322 1HB PRO 61 2HB PRO 61 -11.916 22.468 6.640 1323 2HB PRO 61 1HB PRO 61 -12.745 22.031 8.136 1324 1HG PRO 61 2HG PRO 61 -11.771 20.257 5.926 1325 2HG PRO 61 1HG PRO 61 -11.626 20.039 7.679 1326 1HD PRO 61 2HD PRO 61 -13.543 18.820 6.152 1327 2HD PRO 61 1HD PRO 61 -13.747 19.195 7.874 1328 H PHE 62 H PHE 62 -12.590 23.857 5.421 1329 HA PHE 62 HA PHE 62 -13.513 23.478 2.675 1330 1HB PHE 62 2HB PHE 62 -12.211 25.716 4.171 1331 2HB PHE 62 1HB PHE 62 -12.041 25.652 2.420 1332 HD1 PHE 62 1HD PHE 62 -14.554 25.714 5.146 1333 HD2 PHE 62 2HD PHE 62 -13.744 26.419 1.029 1334 HE1 PHE 62 1HE PHE 62 -16.760 26.775 4.898 1335 HE2 PHE 62 2HE PHE 62 -15.949 27.481 0.772 1336 HZ PHE 62 HZ PHE 62 -17.459 27.660 2.709 1337 H LYS 63 H LYS 63 -10.357 24.260 4.163 1338 HA LYS 63 HA LYS 63 -8.773 23.503 2.011 1339 1HB LYS 63 2HB LYS 63 -8.214 24.684 4.303 1340 2HB LYS 63 1HB LYS 63 -7.774 23.052 4.789 1341 1HG LYS 63 2HG LYS 63 -6.620 24.611 2.487 1342 2HG LYS 63 1HG LYS 63 -5.824 24.238 4.017 1343 1HD LYS 63 2HD LYS 63 -5.978 21.839 3.489 1344 2HD LYS 63 1HD LYS 63 -6.725 22.240 1.940 1345 1HE LYS 63 2HE LYS 63 -4.238 21.750 1.904 1346 2HE LYS 63 1HE LYS 63 -4.756 23.249 1.136 1347 1HZ LYS 63 1HZ LYS 63 -4.010 24.502 2.978 1348 2HZ LYS 63 2HZ LYS 63 -2.757 23.428 2.604 1349 3HZ LYS 63 3HZ LYS 63 -3.766 23.122 3.927 1350 H TYR 64 H TYR 64 -9.116 21.574 1.028 1351 HA TYR 64 HA TYR 64 -8.815 19.163 2.702 1352 1HB TYR 64 2HB TYR 64 -10.860 19.895 0.753 1353 2HB TYR 64 1HB TYR 64 -10.145 18.320 0.423 1354 HD1 TYR 64 1HD TYR 64 -12.545 20.101 2.343 1355 HD2 TYR 64 2HD TYR 64 -10.039 16.660 2.397 1356 HE1 TYR 64 1HE TYR 64 -13.969 19.096 4.080 1357 HE2 TYR 64 2HE TYR 64 -11.457 15.645 4.131 1358 HH TYR 64 HH TYR 64 -14.517 16.859 4.945 1359 H VAL 65 H VAL 65 -7.393 17.644 2.094 1360 HA VAL 65 HA VAL 65 -5.893 18.113 -0.383 1361 HB VAL 65 HB VAL 65 -4.971 17.724 2.287 1362 1HG1 VAL 65 1HG1 VAL 65 -4.072 15.551 0.390 1363 2HG1 VAL 65 2HG1 VAL 65 -4.780 15.351 1.991 1364 3HG1 VAL 65 3HG1 VAL 65 -3.162 16.027 1.824 1365 1HG2 VAL 65 1HG2 VAL 65 -3.659 18.194 -0.335 1366 2HG2 VAL 65 2HG2 VAL 65 -2.746 18.070 1.170 1367 3HG2 VAL 65 3HG2 VAL 65 -3.967 19.330 0.979 1368 H VAL 66 H VAL 66 -5.970 16.539 -1.926 1369 HA VAL 66 HA VAL 66 -6.820 13.860 -1.073 1370 HB VAL 66 HB VAL 66 -7.852 15.023 -3.642 1371 1HG1 VAL 66 1HG1 VAL 66 -9.292 13.172 -3.650 1372 2HG1 VAL 66 2HG1 VAL 66 -9.015 12.840 -1.941 1373 3HG1 VAL 66 3HG1 VAL 66 -7.742 12.527 -3.119 1374 1HG2 VAL 66 1HG2 VAL 66 -9.423 14.931 -1.073 1375 2HG2 VAL 66 2HG2 VAL 66 -9.887 15.666 -2.608 1376 3HG2 VAL 66 3HG2 VAL 66 -8.601 16.385 -1.639 1377 H THR 67 H THR 67 -5.206 12.531 -1.539 1378 HA THR 67 HA THR 67 -4.060 12.647 -4.231 1379 HB THR 67 HB THR 67 -2.376 13.753 -2.968 1380 HG1 THR 67 1HG THR 67 -1.582 11.038 -3.085 1381 1HG2 THR 67 1HG2 THR 67 -3.325 12.455 -0.775 1382 2HG2 THR 67 2HG2 THR 67 -1.827 13.383 -0.846 1383 3HG2 THR 67 3HG2 THR 67 -1.792 11.633 -1.062 1384 H CYS 68 H CYS 68 -3.338 10.684 -5.067 1385 HA CYS 68 HA CYS 68 -3.784 8.321 -3.411 1386 1HB CYS 68 2HB CYS 68 -5.877 8.717 -4.657 1387 2HB CYS 68 1HB CYS 68 -4.976 8.655 -6.165 1388 HG CYS 68 HG CYS 68 -6.175 6.332 -5.464 1389 H ILE 69 H ILE 69 -2.775 6.415 -4.179 1390 HA ILE 69 HA ILE 69 -0.728 6.793 -6.245 1391 HB ILE 69 HB ILE 69 -0.290 5.721 -3.457 1392 1HG1 ILE 69 2HG1 ILE 69 1.559 7.522 -3.581 1393 2HG1 ILE 69 1HG1 ILE 69 0.640 8.153 -4.943 1394 1HG2 ILE 69 1HG2 ILE 69 2.162 5.620 -4.354 1395 2HG2 ILE 69 2HG2 ILE 69 1.362 5.430 -5.914 1396 3HG2 ILE 69 3HG2 ILE 69 1.054 4.274 -4.619 1397 1HD1 ILE 69 1HD1 ILE 69 -1.147 7.683 -2.784 1398 2HD1 ILE 69 2HD1 ILE 69 -0.712 9.208 -3.555 1399 3HD1 ILE 69 3HD1 ILE 69 0.235 8.607 -2.193 1400 H ILE 70 H ILE 70 -0.897 5.226 -7.715 1401 HA ILE 70 HA ILE 70 -2.395 2.811 -7.074 1402 HB ILE 70 HB ILE 70 -2.367 2.362 -9.482 1403 1HG1 ILE 70 2HG1 ILE 70 -1.494 4.706 -10.673 1404 2HG1 ILE 70 1HG1 ILE 70 -0.283 4.417 -9.429 1405 1HG2 ILE 70 1HG2 ILE 70 -3.813 4.259 -8.174 1406 2HG2 ILE 70 2HG2 ILE 70 -4.109 3.730 -9.829 1407 3HG2 ILE 70 3HG2 ILE 70 -3.160 5.184 -9.526 1408 1HD1 ILE 70 1HD1 ILE 70 0.690 3.129 -10.961 1409 2HD1 ILE 70 2HD1 ILE 70 -0.779 3.013 -11.932 1410 3HD1 ILE 70 3HD1 ILE 70 -0.551 1.945 -10.546 1411 H MET 71 H MET 71 -1.631 0.719 -7.389 1412 HA MET 71 HA MET 71 1.299 0.466 -7.584 1413 1HB MET 71 2HB MET 71 -0.182 -0.117 -5.376 1414 2HB MET 71 1HB MET 71 -0.166 -1.678 -6.182 1415 1HG MET 71 2HG MET 71 2.445 -0.367 -6.061 1416 2HG MET 71 1HG MET 71 1.753 -0.754 -4.487 1417 1HE MET 71 1HE MET 71 2.913 -3.209 -3.502 1418 2HE MET 71 2HE MET 71 3.890 -1.919 -4.202 1419 3HE MET 71 3HE MET 71 4.187 -3.597 -4.659 1420 H GLN 72 H GLN 72 1.830 -0.420 -9.460 1421 HA GLN 72 HA GLN 72 0.011 -1.925 -11.050 1422 1HB GLN 72 2HB GLN 72 1.851 -0.479 -11.939 1423 2HB GLN 72 1HB GLN 72 3.001 -1.691 -11.392 1424 1HG GLN 72 2HG GLN 72 0.856 -2.767 -13.055 1425 2HG GLN 72 1HG GLN 72 1.868 -1.575 -13.869 1426 1HE2 GLN 72 1HE2 GLN 72 3.046 -2.828 -15.184 1427 2HE2 GLN 72 2HE2 GLN 72 4.082 -4.108 -14.660 1428 H LYS 73 H LYS 73 -0.618 -3.882 -10.405 1429 HA LYS 73 HA LYS 73 -0.573 -6.059 -9.760 1430 1HB LYS 73 2HB LYS 73 1.264 -5.803 -11.742 1431 2HB LYS 73 1HB LYS 73 2.269 -6.457 -10.456 1432 1HG LYS 73 2HG LYS 73 1.294 -8.483 -10.536 1433 2HG LYS 73 1HG LYS 73 -0.306 -7.819 -10.873 1434 1HD LYS 73 2HD LYS 73 0.151 -7.602 -13.170 1435 2HD LYS 73 1HD LYS 73 1.888 -7.798 -12.927 1436 1HE LYS 73 2HE LYS 73 1.676 -10.101 -12.507 1437 2HE LYS 73 1HE LYS 73 -0.065 -9.980 -12.261 1438 1HZ LYS 73 1HZ LYS 73 1.112 -9.295 -14.873 1439 2HZ LYS 73 2HZ LYS 73 -0.458 -9.810 -14.514 1440 3HZ LYS 73 3HZ LYS 73 0.824 -10.913 -14.471 1441 H ASN 74 H ASN 74 1.331 -7.710 -8.682 1442 HA ASN 74 HA ASN 74 2.164 -6.287 -6.239 1443 1HB ASN 74 2HB ASN 74 1.687 -8.377 -4.993 1444 2HB ASN 74 1HB ASN 74 0.247 -7.694 -5.740 1445 1HD2 ASN 74 1HD2 ASN 74 1.284 -10.486 -4.952 1446 2HD2 ASN 74 2HD2 ASN 74 0.884 -11.452 -6.328 1447 H GLY 75 H GLY 75 4.265 -6.008 -7.137 1448 1HA GLY 75 2HA GLY 75 6.083 -8.070 -6.466 1449 2HA GLY 75 1HA GLY 75 5.872 -8.016 -8.210 1450 H ALA 76 H ALA 76 5.533 -5.203 -8.456 1451 HA ALA 76 HA ALA 76 8.232 -4.399 -8.633 1452 1HB ALA 76 1HB ALA 76 7.370 -2.251 -9.347 1453 2HB ALA 76 2HB ALA 76 5.766 -2.666 -8.744 1454 3HB ALA 76 3HB ALA 76 6.452 -3.550 -10.106 1455 H GLY 77 H GLY 77 9.511 -3.188 -7.333 1456 1HA GLY 77 2HA GLY 77 8.724 -2.905 -4.579 1457 2HA GLY 77 1HA GLY 77 10.281 -2.473 -5.270 1458 H LEU 78 H LEU 78 7.502 -1.282 -3.894 1459 HA LEU 78 HA LEU 78 8.186 1.434 -4.755 1460 1HB LEU 78 2HB LEU 78 6.201 0.512 -6.042 1461 2HB LEU 78 1HB LEU 78 5.331 0.502 -4.522 1462 HG LEU 78 HG LEU 78 4.863 2.479 -5.975 1463 1HD1 LEU 78 1HD1 LEU 78 4.465 3.777 -4.173 1464 2HD1 LEU 78 2HD1 LEU 78 6.114 3.630 -3.564 1465 3HD1 LEU 78 3HD1 LEU 78 4.957 2.326 -3.301 1466 1HD2 LEU 78 1HD2 LEU 78 6.502 4.232 -6.180 1467 2HD2 LEU 78 2HD2 LEU 78 7.167 2.737 -6.838 1468 3HD2 LEU 78 3HD2 LEU 78 7.670 3.299 -5.245 1469 H HIS 79 H HIS 79 8.192 2.900 -3.142 1470 HA HIS 79 HA HIS 79 6.733 2.390 -0.684 1471 1HB HIS 79 2HB HIS 79 9.746 2.544 -0.793 1472 2HB HIS 79 1HB HIS 79 8.820 2.775 0.688 1473 HD1 HIS 79 1HD HIS 79 7.298 0.638 1.393 1474 HD2 HIS 79 2HD HIS 79 10.336 -0.051 -1.356 1475 HE1 HIS 79 1HE HIS 79 7.666 -1.850 1.406 1476 HE2 HIS 79 2HE HIS 79 9.448 -2.252 -0.328 1477 H THR 80 H THR 80 5.912 4.222 0.070 1478 HA THR 80 HA THR 80 6.997 6.759 -0.938 1479 HB THR 80 HB THR 80 4.288 6.148 0.264 1480 HG1 THR 80 1HG THR 80 3.550 6.158 -1.785 1481 1HG2 THR 80 1HG2 THR 80 3.864 8.409 -1.051 1482 2HG2 THR 80 2HG2 THR 80 5.549 8.677 -0.602 1483 3HG2 THR 80 3HG2 THR 80 4.341 8.374 0.646 1484 H ALA 81 H ALA 81 7.210 8.565 0.501 1485 HA ALA 81 HA ALA 81 7.290 7.862 3.360 1486 1HB ALA 81 1HB ALA 81 9.579 7.746 2.259 1487 2HB ALA 81 2HB ALA 81 9.438 8.779 3.681 1488 3HB ALA 81 3HB ALA 81 9.460 9.495 2.069 1489 H ALA 82 H ALA 82 6.757 9.538 4.764 1490 HA ALA 82 HA ALA 82 6.472 12.213 3.759 1491 1HB ALA 82 1HB ALA 82 4.159 12.442 3.825 1492 2HB ALA 82 2HB ALA 82 3.946 10.898 4.651 1493 3HB ALA 82 3HB ALA 82 4.447 10.933 2.960 1494 H SER 83 H SER 83 6.232 13.762 5.253 1495 HA SER 83 HA SER 83 5.870 13.039 8.054 1496 1HB SER 83 2HB SER 83 8.343 13.015 7.523 1497 2HB SER 83 1HB SER 83 8.208 14.728 7.125 1498 HG SER 83 HG SER 83 8.868 14.202 9.339 1499 H CYS 84 H CYS 84 4.296 14.345 8.746 1500 HA CYS 84 HA CYS 84 4.125 17.054 7.606 1501 1HB CYS 84 2HB CYS 84 2.250 15.197 7.300 1502 2HB CYS 84 1HB CYS 84 1.758 15.817 8.868 1503 HG CYS 84 HG CYS 84 1.542 18.200 7.700 1504 H TRP 85 H TRP 85 3.672 18.788 8.941 1505 HA TRP 85 HA TRP 85 4.584 18.497 11.647 1506 1HB TRP 85 2HB TRP 85 4.632 20.545 9.841 1507 2HB TRP 85 1HB TRP 85 3.303 21.043 10.884 1508 HD1 TRP 85 HD TRP 85 6.911 19.717 11.424 1509 HE1 TRP 85 1HE TRP 85 7.970 21.067 13.330 1510 HE3 TRP 85 3HE TRP 85 2.953 22.741 12.572 1511 HZ2 TRP 85 2HZ TRP 85 7.233 23.147 15.097 1512 HZ3 TRP 85 3HZ TRP 85 3.213 24.385 14.385 1513 HH2 TRP 85 HH TRP 85 5.310 24.583 15.621 1514 H TRP 86 H TRP 86 3.381 19.114 13.540 1515 HA TRP 86 HA TRP 86 0.628 18.212 13.399 1516 1HB TRP 86 2HB TRP 86 2.495 18.839 15.680 1517 2HB TRP 86 1HB TRP 86 0.788 18.501 15.940 1518 HD1 TRP 86 HD TRP 86 0.966 16.180 13.463 1519 HE1 TRP 86 1HE TRP 86 1.850 13.871 14.176 1520 HE3 TRP 86 3HE TRP 86 3.302 17.511 17.813 1521 HZ2 TRP 86 2HZ TRP 86 3.341 12.760 16.300 1522 HZ3 TRP 86 3HZ TRP 86 4.433 15.764 19.126 1523 HH2 TRP 86 HH TRP 86 4.451 13.438 18.384 1524 H ASP 87 H ASP 87 -1.165 19.407 13.767 1525 HA ASP 87 HA ASP 87 -1.151 21.997 14.930 1526 1HB ASP 87 2HB ASP 87 -0.293 22.087 12.350 1527 2HB ASP 87 1HB ASP 87 -2.030 22.278 12.124 1528 H SER 88 H SER 88 -3.235 22.787 15.305 1529 HA SER 88 HA SER 88 -5.304 20.782 15.166 1530 1HB SER 88 2HB SER 88 -5.053 22.106 17.202 1531 2HB SER 88 1HB SER 88 -5.338 23.591 16.295 1532 HG SER 88 HG SER 88 -7.205 22.729 17.419 1533 H THR 89 H THR 89 -4.481 23.733 13.504 1534 HA THR 89 HA THR 89 -7.049 24.129 12.309 1535 HB THR 89 HB THR 89 -5.508 25.996 12.610 1536 HG1 THR 89 1HG THR 89 -6.943 26.162 10.879 1537 1HG2 THR 89 1HG2 THR 89 -3.608 24.245 11.356 1538 2HG2 THR 89 2HG2 THR 89 -3.347 25.759 12.222 1539 3HG2 THR 89 3HG2 THR 89 -3.716 25.782 10.498 1540 H THR 90 H THR 90 -4.177 22.332 11.474 1541 HA THR 90 HA THR 90 -5.434 21.535 8.942 1542 HB THR 90 HB THR 90 -2.970 20.847 8.406 1543 HG1 THR 90 1HG THR 90 -1.987 21.230 10.328 1544 1HG2 THR 90 1HG2 THR 90 -4.421 23.174 7.881 1545 2HG2 THR 90 2HG2 THR 90 -3.000 22.571 7.028 1546 3HG2 THR 90 3HG2 THR 90 -2.811 23.706 8.365 1547 H ASP 91 H ASP 91 -6.605 20.040 10.485 1548 HA ASP 91 HA ASP 91 -4.987 17.618 10.905 1549 1HB ASP 91 2HB ASP 91 -5.668 18.769 13.030 1550 2HB ASP 91 1HB ASP 91 -7.345 18.451 12.597 1551 H GLY 92 H GLY 92 -5.575 15.992 9.687 1552 1HA GLY 92 2HA GLY 92 -8.133 14.934 9.483 1553 2HA GLY 92 1HA GLY 92 -7.946 16.009 8.114 1554 H SER 93 H SER 93 -4.894 14.915 8.475 1555 HA SER 93 HA SER 93 -4.733 13.417 6.223 1556 1HB SER 93 2HB SER 93 -2.591 12.656 6.992 1557 2HB SER 93 1HB SER 93 -2.829 14.292 7.606 1558 HG SER 93 HG SER 93 -2.034 12.661 9.143 1559 H ARG 94 H ARG 94 -5.804 11.648 5.634 1560 HA ARG 94 HA ARG 94 -5.647 9.276 7.308 1561 1HB ARG 94 2HB ARG 94 -8.291 10.378 6.339 1562 2HB ARG 94 1HB ARG 94 -8.064 8.796 7.075 1563 1HG ARG 94 2HG ARG 94 -7.379 9.813 9.151 1564 2HG ARG 94 1HG ARG 94 -7.464 11.418 8.426 1565 1HD ARG 94 2HD ARG 94 -9.894 10.970 7.980 1566 2HD ARG 94 1HD ARG 94 -9.727 9.514 8.951 1567 HE ARG 94 HE ARG 94 -9.565 10.811 10.863 1568 1HH1 ARG 94 1HH1 ARG 94 -9.599 12.876 8.032 1569 2HH1 ARG 94 2HH1 ARG 94 -9.929 14.310 8.941 1570 1HH2 ARG 94 1HH2 ARG 94 -9.979 12.704 12.042 1571 2HH2 ARG 94 2HH2 ARG 94 -10.130 14.217 11.212 1572 H THR 95 H THR 95 -4.959 7.670 6.024 1573 HA THR 95 HA THR 95 -5.400 7.919 3.156 1574 HB THR 95 HB THR 95 -3.082 7.566 4.221 1575 HG1 THR 95 1HG THR 95 -2.432 6.631 2.354 1576 1HG2 THR 95 1HG2 THR 95 -2.328 5.329 4.486 1577 2HG2 THR 95 2HG2 THR 95 -3.915 4.688 4.061 1578 3HG2 THR 95 3HG2 THR 95 -3.698 5.579 5.567 1579 H VAL 96 H VAL 96 -6.084 6.171 1.839 1580 HA VAL 96 HA VAL 96 -7.492 4.016 3.265 1581 HB VAL 96 HB VAL 96 -8.675 5.539 0.939 1582 1HG1 VAL 96 1HG1 VAL 96 -10.132 3.663 2.768 1583 2HG1 VAL 96 2HG1 VAL 96 -9.252 3.065 1.362 1584 3HG1 VAL 96 3HG1 VAL 96 -10.575 4.210 1.151 1585 1HG2 VAL 96 1HG2 VAL 96 -8.799 6.006 3.838 1586 2HG2 VAL 96 2HG2 VAL 96 -10.355 6.007 3.010 1587 3HG2 VAL 96 3HG2 VAL 96 -9.081 7.112 2.494 1588 H ARG 97 H ARG 97 -7.026 2.057 2.463 1589 HA ARG 97 HA ARG 97 -5.632 1.935 -0.109 1590 1HB ARG 97 2HB ARG 97 -5.117 0.727 2.321 1591 2HB ARG 97 1HB ARG 97 -5.858 -0.569 1.392 1592 1HG ARG 97 2HG ARG 97 -3.722 -0.904 0.757 1593 2HG ARG 97 1HG ARG 97 -4.136 0.324 -0.441 1594 1HD ARG 97 2HD ARG 97 -2.161 1.159 0.390 1595 2HD ARG 97 1HD ARG 97 -3.339 1.983 1.412 1596 HE ARG 97 HE ARG 97 -2.391 0.939 3.191 1597 1HH1 ARG 97 1HH1 ARG 97 -1.774 -1.030 0.364 1598 2HH1 ARG 97 2HH1 ARG 97 -0.826 -2.189 1.232 1599 1HH2 ARG 97 1HH2 ARG 97 -1.143 -0.590 4.321 1600 2HH2 ARG 97 2HH2 ARG 97 -0.468 -1.940 3.473 1601 H TRP 98 H TRP 98 -6.934 1.698 -1.777 1602 HA TRP 98 HA TRP 98 -9.245 -0.133 -1.608 1603 1HB TRP 98 2HB TRP 98 -8.913 2.527 -2.594 1604 2HB TRP 98 1HB TRP 98 -9.222 1.499 -3.979 1605 HD1 TRP 98 HD TRP 98 -11.537 2.598 -4.424 1606 HE1 TRP 98 1HE TRP 98 -13.842 2.413 -3.313 1607 HE3 TRP 98 3HE TRP 98 -10.137 0.400 -0.015 1608 HZ2 TRP 98 2HZ TRP 98 -14.922 1.454 -0.896 1609 HZ3 TRP 98 3HZ TRP 98 -11.873 -0.118 1.636 1610 HH2 TRP 98 HH TRP 98 -14.216 0.401 1.207 1611 H GLU 99 H GLU 99 -9.062 -2.009 -2.685 1612 HA GLU 99 HA GLU 99 -7.215 -2.132 -4.974 1613 1HB GLU 99 2HB GLU 99 -7.498 -4.154 -2.750 1614 2HB GLU 99 1HB GLU 99 -6.628 -4.457 -4.245 1615 1HG GLU 99 2HG GLU 99 -4.921 -3.860 -2.856 1616 2HG GLU 99 1HG GLU 99 -5.324 -2.306 -3.578 1617 H ASN 100 H ASN 100 -7.662 -3.909 -6.473 1618 HA ASN 100 HA ASN 100 -10.542 -4.514 -6.558 1619 1HB ASN 100 2HB ASN 100 -10.056 -4.876 -9.059 1620 2HB ASN 100 1HB ASN 100 -10.064 -3.221 -8.459 1621 1HD2 ASN 100 1HD2 ASN 100 -8.190 -2.050 -8.439 1622 2HD2 ASN 100 2HD2 ASN 100 -6.730 -2.587 -9.191 1623 H LYS 101 H LYS 101 -7.399 -5.889 -7.544 1624 HA LYS 101 HA LYS 101 -7.903 -8.398 -6.362 1625 1HB LYS 101 2HB LYS 101 -8.046 -9.711 -8.527 1626 2HB LYS 101 1HB LYS 101 -9.497 -8.837 -8.056 1627 1HG LYS 101 2HG LYS 101 -9.455 -8.208 -10.217 1628 2HG LYS 101 1HG LYS 101 -8.353 -6.975 -9.600 1629 1HD LYS 101 2HD LYS 101 -6.977 -7.734 -11.212 1630 2HD LYS 101 1HD LYS 101 -6.634 -9.024 -10.058 1631 1HE LYS 101 2HE LYS 101 -7.584 -10.564 -11.363 1632 2HE LYS 101 1HE LYS 101 -9.016 -9.571 -11.623 1633 1HZ LYS 101 1HZ LYS 101 -8.047 -8.529 -13.451 1634 2HZ LYS 101 2HZ LYS 101 -7.600 -10.150 -13.636 1635 3HZ LYS 101 3HZ LYS 101 -6.482 -9.028 -13.045 1636 H SER 102 H SER 102 -6.280 -6.809 -9.092 1637 HA SER 102 HA SER 102 -3.813 -8.246 -8.361 1638 1HB SER 102 2HB SER 102 -4.317 -8.835 -10.589 1639 2HB SER 102 1HB SER 102 -4.809 -7.193 -11.003 1640 HG SER 102 HG SER 102 -2.535 -8.159 -11.531 1641 H MET 103 H MET 103 -4.964 -5.121 -9.631 1642 HA MET 103 HA MET 103 -2.498 -3.837 -8.782 1643 1HB MET 103 2HB MET 103 -4.712 -3.194 -10.605 1644 2HB MET 103 1HB MET 103 -4.116 -1.816 -9.689 1645 1HG MET 103 2HG MET 103 -1.885 -2.177 -10.514 1646 2HG MET 103 1HG MET 103 -2.394 -3.647 -11.340 1647 1HE MET 103 1HE MET 103 -1.083 -0.562 -12.009 1648 2HE MET 103 2HE MET 103 -1.656 -0.215 -13.640 1649 3HE MET 103 3HE MET 103 -0.881 -1.760 -13.288 1650 H TYR 104 H TYR 104 -2.493 -1.939 -7.429 1651 HA TYR 104 HA TYR 104 -4.688 -1.955 -5.456 1652 1HB TYR 104 2HB TYR 104 -1.815 -1.192 -4.913 1653 2HB TYR 104 1HB TYR 104 -3.101 -1.422 -3.733 1654 HD1 TYR 104 1HD TYR 104 -0.240 -2.771 -4.157 1655 HD2 TYR 104 2HD TYR 104 -4.258 -3.984 -4.850 1656 HE1 TYR 104 1HE TYR 104 0.430 -5.122 -3.895 1657 HE2 TYR 104 2HE TYR 104 -3.599 -6.338 -4.589 1658 HH TYR 104 HH TYR 104 -1.820 -7.646 -3.536 1659 H CYS 105 H CYS 105 -5.122 0.081 -4.380 1660 HA CYS 105 HA CYS 105 -4.143 2.493 -5.681 1661 1HB CYS 105 2HB CYS 105 -6.353 1.454 -6.758 1662 2HB CYS 105 1HB CYS 105 -7.104 2.314 -5.418 1663 HG CYS 105 HG CYS 105 -5.837 3.599 -7.889 1664 H ILE 106 H ILE 106 -3.333 3.384 -3.872 1665 HA ILE 106 HA ILE 106 -4.984 3.492 -1.453 1666 HB ILE 106 HB ILE 106 -2.775 2.748 -0.979 1667 1HG1 ILE 106 2HG1 ILE 106 -2.396 5.618 -0.250 1668 2HG1 ILE 106 1HG1 ILE 106 -3.804 4.776 0.388 1669 1HG2 ILE 106 1HG2 ILE 106 -2.000 4.816 -2.926 1670 2HG2 ILE 106 2HG2 ILE 106 -1.329 3.212 -2.638 1671 3HG2 ILE 106 3HG2 ILE 106 -0.889 4.553 -1.582 1672 1HD1 ILE 106 1HD1 ILE 106 -1.477 3.160 0.744 1673 2HD1 ILE 106 2HD1 ILE 106 -2.566 3.835 1.957 1674 3HD1 ILE 106 3HD1 ILE 106 -1.189 4.778 1.385 1675 H CYS 107 H CYS 107 -6.262 5.211 -1.222 1676 HA CYS 107 HA CYS 107 -5.323 7.798 -2.278 1677 1HB CYS 107 2HB CYS 107 -7.274 6.992 -3.519 1678 2HB CYS 107 1HB CYS 107 -8.173 6.825 -2.017 1679 HG CYS 107 HG CYS 107 -7.742 9.410 -3.560 1680 H THR 108 H THR 108 -4.898 9.255 -0.796 1681 HA THR 108 HA THR 108 -6.107 8.956 1.857 1682 HB THR 108 HB THR 108 -3.629 8.703 1.718 1683 HG1 THR 108 1HG THR 108 -3.409 9.684 3.587 1684 1HG2 THR 108 1HG2 THR 108 -2.200 10.575 1.343 1685 2HG2 THR 108 2HG2 THR 108 -3.580 11.647 1.104 1686 3HG2 THR 108 3HG2 THR 108 -3.233 10.380 -0.073 1687 H VAL 109 H VAL 109 -6.937 10.706 2.926 1688 HA VAL 109 HA VAL 109 -7.165 13.194 1.389 1689 HB VAL 109 HB VAL 109 -9.454 12.667 3.165 1690 1HG1 VAL 109 1HG1 VAL 109 -8.868 13.970 0.584 1691 2HG1 VAL 109 2HG1 VAL 109 -9.865 14.511 1.935 1692 3HG1 VAL 109 3HG1 VAL 109 -10.501 13.332 0.787 1693 1HG2 VAL 109 1HG2 VAL 109 -10.557 11.302 1.266 1694 2HG2 VAL 109 2HG2 VAL 109 -9.539 10.474 2.444 1695 3HG2 VAL 109 3HG2 VAL 109 -8.900 10.864 0.846 1696 H PHE 110 H PHE 110 -6.642 14.986 2.489 1697 HA PHE 110 HA PHE 110 -6.421 14.753 5.408 1698 1HB PHE 110 2HB PHE 110 -4.789 16.523 3.614 1699 2HB PHE 110 1HB PHE 110 -4.727 16.532 5.343 1700 HD1 PHE 110 1HD PHE 110 -2.611 15.938 5.880 1701 HD2 PHE 110 2HD PHE 110 -4.698 13.586 3.010 1702 HE1 PHE 110 1HE PHE 110 -0.773 14.311 5.880 1703 HE2 PHE 110 2HE PHE 110 -2.868 11.958 3.023 1704 HZ PHE 110 HZ PHE 110 -0.900 12.315 4.449 1705 H GLY 111 H GLY 111 -8.297 15.546 6.079 1706 1HA GLY 111 2HA GLY 111 -9.511 17.860 4.825 1707 2HA GLY 111 1HA GLY 111 -10.171 16.934 6.167 1708 H LEU 112 H LEU 112 -8.010 19.502 5.234 1709 HA LEU 112 HA LEU 112 -7.386 20.117 8.008 1710 1HB LEU 112 2HB LEU 112 -6.477 21.241 5.367 1711 2HB LEU 112 1HB LEU 112 -6.036 21.973 6.896 1712 HG LEU 112 HG LEU 112 -4.611 20.227 7.475 1713 1HD1 LEU 112 1HD1 LEU 112 -4.624 18.014 6.636 1714 2HD1 LEU 112 2HD1 LEU 112 -5.797 18.432 5.390 1715 3HD1 LEU 112 3HD1 LEU 112 -6.280 18.416 7.085 1716 1HD2 LEU 112 1HD2 LEU 112 -4.344 19.912 4.535 1717 2HD2 LEU 112 2HD2 LEU 112 -3.094 20.071 5.770 1718 3HD2 LEU 112 3HD2 LEU 112 -4.042 21.478 5.287 1719 H ALA 113 H ALA 113 -8.148 21.815 9.144 1720 HA ALA 113 HA ALA 113 -10.496 23.156 8.092 1721 1HB ALA 113 1HB ALA 113 -9.344 23.661 10.808 1722 2HB ALA 113 2HB ALA 113 -10.196 22.157 10.458 1723 3HB ALA 113 3HB ALA 113 -11.027 23.702 10.282 1724 H ILE 114 H ILE 114 -9.285 24.387 6.476 1725 HA ILE 114 HA ILE 114 -8.432 26.343 5.683 1726 HB ILE 114 HB ILE 114 -8.896 27.447 8.455 1727 1HG1 ILE 114 2HG1 ILE 114 -10.898 27.976 6.359 1728 2HG1 ILE 114 1HG1 ILE 114 -10.838 26.304 6.904 1729 1HG2 ILE 114 1HG2 ILE 114 -9.247 29.570 7.114 1730 2HG2 ILE 114 2HG2 ILE 114 -8.540 28.706 5.750 1731 3HG2 ILE 114 3HG2 ILE 114 -7.593 28.968 7.215 1732 1HD1 ILE 114 1HD1 ILE 114 -11.334 26.921 9.130 1733 2HD1 ILE 114 2HD1 ILE 114 -12.467 27.790 8.095 1734 3HD1 ILE 114 3HD1 ILE 114 -11.078 28.631 8.785 Start of MODEL 10 1 1H MET 1 1HT MET 1 29.597 6.169 -14.269 2 HA MET 1 HA MET 1 31.548 5.126 -14.489 3 1HB MET 1 2HB MET 1 31.040 6.642 -12.391 4 2HB MET 1 1HB MET 1 31.345 5.155 -11.503 5 1HG MET 1 2HG MET 1 33.565 5.060 -12.173 6 2HG MET 1 1HG MET 1 33.301 6.152 -13.533 7 1HE MET 1 1HE MET 1 33.790 5.456 -10.047 8 2HE MET 1 2HE MET 1 33.049 6.826 -9.220 9 3HE MET 1 3HE MET 1 34.788 6.810 -9.514 10 H GLU 2 H GLU 2 29.387 3.347 -12.376 11 HA GLU 2 HA GLU 2 30.488 0.847 -13.207 12 1HB GLU 2 2HB GLU 2 31.979 1.844 -11.265 13 2HB GLU 2 1HB GLU 2 30.682 1.228 -10.252 14 1HG GLU 2 2HG GLU 2 31.019 -0.991 -11.448 15 2HG GLU 2 1HG GLU 2 32.521 -0.299 -12.061 16 H GLY 3 H GLY 3 27.932 2.092 -13.265 17 1HA GLY 3 2HA GLY 3 25.878 0.833 -13.172 18 2HA GLY 3 1HA GLY 3 26.430 0.130 -11.660 19 H VAL 4 H VAL 4 27.041 2.091 -10.041 20 HA VAL 4 HA VAL 4 24.559 3.206 -9.299 21 HB VAL 4 HB VAL 4 27.277 4.115 -8.349 22 1HG1 VAL 4 1HG1 VAL 4 24.919 4.009 -6.568 23 2HG1 VAL 4 2HG1 VAL 4 24.919 5.260 -7.812 24 3HG1 VAL 4 3HG1 VAL 4 26.236 5.180 -6.643 25 1HG2 VAL 4 1HG2 VAL 4 26.739 2.447 -6.457 26 2HG2 VAL 4 2HG2 VAL 4 27.362 1.818 -7.983 27 3HG2 VAL 4 3HG2 VAL 4 25.639 1.712 -7.623 28 H ASP 5 H ASP 5 23.649 5.163 -9.647 29 HA ASP 5 HA ASP 5 25.237 7.207 -11.039 30 1HB ASP 5 2HB ASP 5 23.432 5.686 -12.381 31 2HB ASP 5 1HB ASP 5 22.404 7.014 -11.853 32 HA PRO 6 HA PRO 6 23.362 9.245 -7.390 33 1HB PRO 6 2HB PRO 6 25.165 11.417 -8.289 34 2HB PRO 6 1HB PRO 6 24.997 10.680 -6.692 35 1HG PRO 6 2HG PRO 6 27.121 10.167 -8.220 36 2HG PRO 6 1HG PRO 6 26.382 8.899 -7.223 37 1HD PRO 6 2HD PRO 6 26.133 9.380 -10.168 38 2HD PRO 6 1HD PRO 6 26.301 7.847 -9.286 39 H ALA 7 H ALA 7 21.396 10.040 -7.694 40 HA ALA 7 HA ALA 7 19.682 11.413 -8.312 41 1HB ALA 7 1HB ALA 7 22.051 13.055 -8.793 42 2HB ALA 7 2HB ALA 7 20.523 13.463 -8.014 43 3HB ALA 7 3HB ALA 7 20.656 13.511 -9.771 44 H VAL 8 H VAL 8 21.987 11.582 -11.003 45 HA VAL 8 HA VAL 8 21.854 10.995 -13.194 46 HB VAL 8 HB VAL 8 19.209 9.703 -13.219 47 1HG1 VAL 8 1HG1 VAL 8 21.403 9.678 -14.785 48 2HG1 VAL 8 2HG1 VAL 8 20.156 8.432 -14.796 49 3HG1 VAL 8 3HG1 VAL 8 21.636 8.189 -13.870 50 1HG2 VAL 8 1HG2 VAL 8 21.137 8.943 -11.138 51 2HG2 VAL 8 2HG2 VAL 8 20.516 7.619 -12.123 52 3HG2 VAL 8 3HG2 VAL 8 19.401 8.668 -11.250 53 H GLU 9 H GLU 9 18.494 11.485 -12.133 54 HA GLU 9 HA GLU 9 18.296 13.668 -14.094 55 1HB GLU 9 2HB GLU 9 16.781 11.179 -13.875 56 2HB GLU 9 1HB GLU 9 15.761 12.597 -13.967 57 1HG GLU 9 2HG GLU 9 17.940 12.589 -15.907 58 2HG GLU 9 1HG GLU 9 16.809 11.247 -16.090 59 H GLU 10 H GLU 10 18.466 15.295 -12.575 60 HA GLU 10 HA GLU 10 17.226 15.411 -10.085 61 1HB GLU 10 2HB GLU 10 18.960 17.001 -11.321 62 2HB GLU 10 1HB GLU 10 17.504 17.921 -11.670 63 1HG GLU 10 2HG GLU 10 17.207 17.451 -9.014 64 2HG GLU 10 1HG GLU 10 18.960 17.569 -9.155 65 H ALA 11 H ALA 11 15.286 16.258 -9.344 66 HA ALA 11 HA ALA 11 13.203 16.554 -11.404 67 1HB ALA 11 1HB ALA 11 11.785 15.348 -10.143 68 2HB ALA 11 2HB ALA 11 12.352 16.063 -8.633 69 3HB ALA 11 3HB ALA 11 13.264 14.755 -9.387 70 H ALA 12 H ALA 12 11.933 18.317 -11.462 71 HA ALA 12 HA ALA 12 11.347 20.503 -11.191 72 1HB ALA 12 1HB ALA 12 11.482 20.262 -8.241 73 2HB ALA 12 2HB ALA 12 10.424 19.145 -9.103 74 3HB ALA 12 3HB ALA 12 10.196 20.886 -9.273 75 H PHE 13 H PHE 13 11.845 22.545 -9.662 76 HA PHE 13 HA PHE 13 14.762 22.712 -9.325 77 1HB PHE 13 2HB PHE 13 13.639 23.841 -11.442 78 2HB PHE 13 1HB PHE 13 13.244 25.104 -10.280 79 HD1 PHE 13 1HD PHE 13 14.834 26.690 -9.652 80 HD2 PHE 13 2HD PHE 13 16.067 23.173 -11.707 81 HE1 PHE 13 1HE PHE 13 17.091 27.638 -9.913 82 HE2 PHE 13 2HE PHE 13 18.326 24.115 -11.971 83 HZ PHE 13 HZ PHE 13 18.839 26.350 -11.073 84 H VAL 14 H VAL 14 13.845 22.180 -7.102 85 HA VAL 14 HA VAL 14 12.340 23.986 -5.601 86 HB VAL 14 HB VAL 14 14.572 22.271 -4.511 87 1HG1 VAL 14 1HG1 VAL 14 13.083 22.192 -2.510 88 2HG1 VAL 14 2HG1 VAL 14 12.061 23.401 -3.287 89 3HG1 VAL 14 3HG1 VAL 14 13.730 23.792 -2.871 90 1HG2 VAL 14 1HG2 VAL 14 11.910 21.127 -4.333 91 2HG2 VAL 14 2HG2 VAL 14 13.414 20.405 -4.902 92 3HG2 VAL 14 3HG2 VAL 14 12.421 21.355 -6.004 93 H ALA 15 H ALA 15 13.018 25.458 -3.912 94 HA ALA 15 HA ALA 15 14.852 27.389 -4.769 95 1HB ALA 15 1HB ALA 15 14.390 28.538 -2.788 96 2HB ALA 15 2HB ALA 15 14.089 27.052 -1.887 97 3HB ALA 15 3HB ALA 15 12.923 27.606 -3.088 98 H ASP 16 H ASP 16 16.856 28.073 -3.714 99 HA ASP 16 HA ASP 16 18.738 26.013 -3.555 100 1HB ASP 16 2HB ASP 16 20.301 27.731 -2.759 101 2HB ASP 16 1HB ASP 16 19.340 28.321 -4.111 102 H ASP 17 H ASP 17 17.147 27.853 -0.975 103 HA ASP 17 HA ASP 17 18.521 26.824 1.204 104 1HB ASP 17 2HB ASP 17 16.376 27.350 2.482 105 2HB ASP 17 1HB ASP 17 17.122 28.677 1.597 106 H VAL 18 H VAL 18 15.434 25.638 -0.144 107 HA VAL 18 HA VAL 18 15.385 23.366 1.610 108 HB VAL 18 HB VAL 18 13.737 23.790 -0.880 109 1HG1 VAL 18 1HG1 VAL 18 12.903 21.797 -0.366 110 2HG1 VAL 18 2HG1 VAL 18 12.256 22.502 1.113 111 3HG1 VAL 18 3HG1 VAL 18 13.838 21.725 1.127 112 1HG2 VAL 18 1HG2 VAL 18 13.201 25.702 0.261 113 2HG2 VAL 18 2HG2 VAL 18 13.538 24.987 1.838 114 3HG2 VAL 18 3HG2 VAL 18 12.052 24.575 0.982 115 H SER 19 H SER 19 16.460 23.971 -1.661 116 HA SER 19 HA SER 19 16.588 21.305 -2.544 117 1HB SER 19 2HB SER 19 16.699 23.131 -4.129 118 2HB SER 19 1HB SER 19 18.192 23.722 -3.398 119 HG SER 19 HG SER 19 19.281 22.271 -4.467 120 H ASN 20 H ASN 20 18.971 23.346 -0.895 121 HA ASN 20 HA ASN 20 21.058 21.419 -1.068 122 1HB ASN 20 2HB ASN 20 22.340 22.867 0.310 123 2HB ASN 20 1HB ASN 20 21.353 23.912 -0.702 124 1HD2 ASN 20 1HD2 ASN 20 20.021 25.339 0.237 125 2HD2 ASN 20 2HD2 ASN 20 19.772 25.478 1.941 126 H ILE 21 H ILE 21 18.856 22.332 1.573 127 HA ILE 21 HA ILE 21 19.817 20.648 3.560 128 HB ILE 21 HB ILE 21 16.971 21.534 3.001 129 1HG1 ILE 21 2HG1 ILE 21 19.050 22.607 4.912 130 2HG1 ILE 21 1HG1 ILE 21 18.581 23.350 3.387 131 1HG2 ILE 21 1HG2 ILE 21 16.541 21.081 5.405 132 2HG2 ILE 21 2HG2 ILE 21 18.102 20.266 5.492 133 3HG2 ILE 21 3HG2 ILE 21 16.830 19.626 4.452 134 1HD1 ILE 21 1HD1 ILE 21 17.022 24.478 4.465 135 2HD1 ILE 21 2HD1 ILE 21 17.416 23.638 5.965 136 3HD1 ILE 21 3HD1 ILE 21 16.223 22.957 4.859 137 H ILE 22 H ILE 22 17.180 19.962 1.247 138 HA ILE 22 HA ILE 22 16.711 17.353 2.110 139 HB ILE 22 HB ILE 22 15.542 16.981 0.020 140 1HG1 ILE 22 2HG1 ILE 22 16.865 19.559 -0.868 141 2HG1 ILE 22 1HG1 ILE 22 17.070 17.963 -1.580 142 1HG2 ILE 22 1HG2 ILE 22 13.863 18.202 0.806 143 2HG2 ILE 22 2HG2 ILE 22 14.652 19.706 0.331 144 3HG2 ILE 22 3HG2 ILE 22 15.008 18.980 1.896 145 1HD1 ILE 22 1HD1 ILE 22 15.639 19.433 -2.922 146 2HD1 ILE 22 2HD1 ILE 22 14.501 19.526 -1.577 147 3HD1 ILE 22 3HD1 ILE 22 14.797 17.983 -2.377 148 H LYS 23 H LYS 23 18.795 18.470 -0.575 149 HA LYS 23 HA LYS 23 19.582 15.895 -1.315 150 1HB LYS 23 2HB LYS 23 20.603 18.630 -1.867 151 2HB LYS 23 1HB LYS 23 21.596 17.249 -2.307 152 1HG LYS 23 2HG LYS 23 19.825 16.365 -3.677 153 2HG LYS 23 1HG LYS 23 18.747 17.663 -3.164 154 1HD LYS 23 2HD LYS 23 19.645 19.142 -4.590 155 2HD LYS 23 1HD LYS 23 21.293 18.612 -4.255 156 1HE LYS 23 2HE LYS 23 21.322 17.166 -5.978 157 2HE LYS 23 1HE LYS 23 19.635 16.711 -5.760 158 1HZ LYS 23 1HZ LYS 23 20.199 19.400 -6.757 159 2HZ LYS 23 2HZ LYS 23 18.914 18.363 -7.120 160 3HZ LYS 23 3HZ LYS 23 20.431 18.108 -7.824 161 H GLU 24 H GLU 24 21.261 18.326 0.657 162 HA GLU 24 HA GLU 24 23.522 16.813 1.268 163 1HB GLU 24 2HB GLU 24 22.172 19.161 2.422 164 2HB GLU 24 1HB GLU 24 23.099 18.246 3.587 165 1HG GLU 24 2HG GLU 24 25.040 18.396 1.991 166 2HG GLU 24 1HG GLU 24 24.076 19.544 1.063 167 H SER 25 H SER 25 20.298 16.771 2.649 168 HA SER 25 HA SER 25 20.928 15.136 4.879 169 1HB SER 25 2HB SER 25 18.327 15.719 3.451 170 2HB SER 25 1HB SER 25 18.423 14.696 4.884 171 HG SER 25 HG SER 25 17.956 16.855 5.435 172 H ILE 26 H ILE 26 19.552 14.328 1.642 173 HA ILE 26 HA ILE 26 19.340 11.559 2.131 174 HB ILE 26 HB ILE 26 19.535 13.182 -0.387 175 1HG1 ILE 26 2HG1 ILE 26 17.370 11.684 -0.690 176 2HG1 ILE 26 1HG1 ILE 26 17.518 11.545 1.058 177 1HG2 ILE 26 1HG2 ILE 26 20.655 11.451 -1.368 178 2HG2 ILE 26 2HG2 ILE 26 19.016 10.816 -1.502 179 3HG2 ILE 26 3HG2 ILE 26 20.071 10.266 -0.200 180 1HD1 ILE 26 1HD1 ILE 26 17.470 14.166 -0.392 181 2HD1 ILE 26 2HD1 ILE 26 17.330 13.879 1.342 182 3HD1 ILE 26 3HD1 ILE 26 16.034 13.373 0.257 183 H ASP 27 H ASP 27 21.984 13.532 0.912 184 HA ASP 27 HA ASP 27 23.810 11.589 0.203 185 1HB ASP 27 2HB ASP 27 24.270 13.911 -0.208 186 2HB ASP 27 1HB ASP 27 24.164 14.297 1.498 187 H ALA 28 H ALA 28 22.950 12.814 3.380 188 HA ALA 28 HA ALA 28 24.887 11.105 4.728 189 1HB ALA 28 1HB ALA 28 24.279 13.511 5.380 190 2HB ALA 28 2HB ALA 28 24.393 12.314 6.671 191 3HB ALA 28 3HB ALA 28 22.812 12.813 6.068 192 H VAL 29 H VAL 29 21.392 11.413 4.387 193 HA VAL 29 HA VAL 29 20.741 9.324 6.182 194 HB VAL 29 HB VAL 29 19.359 11.305 4.550 195 1HG1 VAL 29 1HG1 VAL 29 18.197 8.597 4.537 196 2HG1 VAL 29 2HG1 VAL 29 18.007 9.940 3.413 197 3HG1 VAL 29 3HG1 VAL 29 17.141 9.946 4.925 198 1HG2 VAL 29 1HG2 VAL 29 18.512 11.847 6.510 199 2HG2 VAL 29 2HG2 VAL 29 19.608 10.647 7.193 200 3HG2 VAL 29 3HG2 VAL 29 17.951 10.209 6.807 201 H LEU 30 H LEU 30 22.054 9.246 3.094 202 HA LEU 30 HA LEU 30 21.071 6.504 2.724 203 1HB LEU 30 2HB LEU 30 21.686 8.612 0.674 204 2HB LEU 30 1HB LEU 30 21.636 6.909 0.265 205 HG LEU 30 HG LEU 30 19.510 8.096 -0.242 206 1HD1 LEU 30 1HD1 LEU 30 18.142 6.377 0.449 207 2HD1 LEU 30 2HD1 LEU 30 18.976 6.204 1.992 208 3HD1 LEU 30 3HD1 LEU 30 19.741 5.635 0.508 209 1HD2 LEU 30 1HD2 LEU 30 18.820 8.132 2.634 210 2HD2 LEU 30 2HD2 LEU 30 18.231 9.136 1.312 211 3HD2 LEU 30 3HD2 LEU 30 19.809 9.449 2.020 212 H GLN 31 H GLN 31 23.879 8.679 2.633 213 HA GLN 31 HA GLN 31 25.632 6.449 1.961 214 1HB GLN 31 2HB GLN 31 25.919 8.860 1.122 215 2HB GLN 31 1HB GLN 31 26.547 9.195 2.722 216 1HG GLN 31 2HG GLN 31 28.314 7.651 2.450 217 2HG GLN 31 1HG GLN 31 27.640 7.095 0.928 218 1HE2 GLN 31 1HE2 GLN 31 28.834 7.755 -0.706 219 2HE2 GLN 31 2HE2 GLN 31 29.554 9.315 -0.874 220 H ASN 32 H ASN 32 24.362 7.853 4.811 221 HA ASN 32 HA ASN 32 26.334 7.818 6.684 222 1HB ASN 32 2HB ASN 32 24.529 6.864 8.273 223 2HB ASN 32 1HB ASN 32 24.227 8.411 7.494 224 1HD2 ASN 32 1HD2 ASN 32 22.010 7.648 8.211 225 2HD2 ASN 32 2HD2 ASN 32 21.092 6.756 7.051 226 H GLN 33 H GLN 33 24.832 4.990 5.229 227 HA GLN 33 HA GLN 33 26.996 3.345 6.252 228 1HB GLN 33 2HB GLN 33 24.725 3.398 7.735 229 2HB GLN 33 1HB GLN 33 24.342 2.095 6.617 230 1HG GLN 33 2HG GLN 33 25.400 0.788 8.075 231 2HG GLN 33 1HG GLN 33 26.877 1.448 7.375 232 1HE2 GLN 33 1HE2 GLN 33 27.913 3.195 8.455 233 2HE2 GLN 33 2HE2 GLN 33 27.696 3.430 10.152 234 H GLN 34 H GLN 34 26.022 0.857 5.548 235 HA GLN 34 HA GLN 34 26.205 1.011 2.676 236 1HB GLN 34 2HB GLN 34 27.121 -0.791 4.461 237 2HB GLN 34 1HB GLN 34 25.629 -1.587 3.981 238 1HG GLN 34 2HG GLN 34 26.692 -0.853 1.573 239 2HG GLN 34 1HG GLN 34 28.129 -1.235 2.520 240 1HE2 GLN 34 1HE2 GLN 34 28.643 -3.307 2.862 241 2HE2 GLN 34 2HE2 GLN 34 27.682 -4.659 2.376 242 H TYR 35 H TYR 35 24.725 -0.547 1.395 243 HA TYR 35 HA TYR 35 22.089 0.442 1.570 244 1HB TYR 35 2HB TYR 35 23.187 -0.300 -0.531 245 2HB TYR 35 1HB TYR 35 23.077 -1.962 0.036 246 HD1 TYR 35 1HD TYR 35 20.721 -2.885 0.515 247 HD2 TYR 35 2HD TYR 35 21.434 0.654 -1.739 248 HE1 TYR 35 1HE TYR 35 18.485 -3.081 -0.492 249 HE2 TYR 35 2HE TYR 35 19.199 0.467 -2.749 250 HH TYR 35 HH TYR 35 16.803 -1.561 -1.554 251 H SER 36 H SER 36 20.684 -0.086 3.191 252 HA SER 36 HA SER 36 20.596 -2.956 3.944 253 1HB SER 36 2HB SER 36 20.588 -0.490 5.588 254 2HB SER 36 1HB SER 36 19.466 -1.755 6.089 255 HG SER 36 HG SER 36 21.228 -3.190 6.180 256 H GLU 37 H GLU 37 18.749 -3.965 3.411 257 HA GLU 37 HA GLU 37 16.578 -2.715 2.161 258 1HB GLU 37 2HB GLU 37 17.095 -5.140 2.006 259 2HB GLU 37 1HB GLU 37 16.558 -5.344 3.668 260 1HG GLU 37 2HG GLU 37 14.554 -5.791 2.836 261 2HG GLU 37 1HG GLU 37 14.432 -4.072 2.458 262 H ALA 38 H ALA 38 17.143 -3.434 5.564 263 HA ALA 38 HA ALA 38 14.503 -2.727 6.414 264 1HB ALA 38 1HB ALA 38 16.255 -4.110 7.688 265 2HB ALA 38 2HB ALA 38 15.294 -2.952 8.608 266 3HB ALA 38 3HB ALA 38 16.950 -2.556 8.147 267 H LYS 39 H LYS 39 17.130 -0.936 5.271 268 HA LYS 39 HA LYS 39 16.224 1.517 6.567 269 1HB LYS 39 2HB LYS 39 18.830 0.413 5.874 270 2HB LYS 39 1HB LYS 39 18.628 2.064 5.326 271 1HG LYS 39 2HG LYS 39 19.648 1.988 7.509 272 2HG LYS 39 1HG LYS 39 18.066 2.758 7.590 273 1HD LYS 39 2HD LYS 39 17.947 1.356 9.395 274 2HD LYS 39 1HD LYS 39 17.270 0.323 8.135 275 1HE LYS 39 2HE LYS 39 19.136 -1.011 8.035 276 2HE LYS 39 1HE LYS 39 20.208 0.264 8.612 277 1HZ LYS 39 1HZ LYS 39 19.517 -1.733 10.141 278 2HZ LYS 39 2HZ LYS 39 18.169 -0.756 10.448 279 3HZ LYS 39 3HZ LYS 39 19.724 -0.178 10.777 280 H VAL 40 H VAL 40 16.316 -0.140 3.561 281 HA VAL 40 HA VAL 40 16.659 1.830 1.687 282 HB VAL 40 HB VAL 40 15.111 0.571 0.204 283 1HG1 VAL 40 1HG1 VAL 40 17.255 -0.184 0.005 284 2HG1 VAL 40 2HG1 VAL 40 16.412 -1.658 0.478 285 3HG1 VAL 40 3HG1 VAL 40 17.327 -0.744 1.674 286 1HG2 VAL 40 1HG2 VAL 40 13.471 -0.628 1.077 287 2HG2 VAL 40 2HG2 VAL 40 14.127 -0.416 2.700 288 3HG2 VAL 40 3HG2 VAL 40 14.672 -1.761 1.696 289 H SER 41 H SER 41 13.968 1.401 3.839 290 HA SER 41 HA SER 41 12.552 3.624 2.501 291 1HB SER 41 2HB SER 41 10.505 2.817 3.497 292 2HB SER 41 1HB SER 41 11.298 1.451 2.714 293 HG SER 41 HG SER 41 11.097 0.543 4.596 294 H GLN 42 H GLN 42 13.765 2.392 5.554 295 HA GLN 42 HA GLN 42 12.802 4.482 7.193 296 1HB GLN 42 2HB GLN 42 15.312 2.858 7.625 297 2HB GLN 42 1HB GLN 42 14.401 3.727 8.843 298 1HG GLN 42 2HG GLN 42 13.314 1.411 7.265 299 2HG GLN 42 1HG GLN 42 14.058 1.267 8.856 300 1HE2 GLN 42 1HE2 GLN 42 11.220 1.888 7.137 301 2HE2 GLN 42 2HE2 GLN 42 10.218 2.345 8.468 302 H TRP 43 H TRP 43 15.570 4.111 5.121 303 HA TRP 43 HA TRP 43 17.312 6.094 5.858 304 1HB TRP 43 2HB TRP 43 16.354 5.054 3.200 305 2HB TRP 43 1HB TRP 43 17.414 6.450 3.227 306 HD1 TRP 43 HD TRP 43 19.068 4.896 5.817 307 HE1 TRP 43 1HE TRP 43 20.859 3.261 5.074 308 HE3 TRP 43 3HE TRP 43 17.483 4.080 1.035 309 HZ2 TRP 43 2HZ TRP 43 21.536 1.787 2.794 310 HZ3 TRP 43 3HZ TRP 43 18.766 2.520 -0.368 311 HH2 TRP 43 HH TRP 43 20.752 1.394 0.491 312 H THR 44 H THR 44 14.760 6.480 3.442 313 HA THR 44 HA THR 44 14.836 9.247 3.281 314 HB THR 44 HB THR 44 13.710 7.525 1.748 315 HG1 THR 44 1HG THR 44 12.540 10.013 2.400 316 1HG2 THR 44 1HG2 THR 44 11.739 6.647 2.185 317 2HG2 THR 44 2HG2 THR 44 11.097 8.180 2.777 318 3HG2 THR 44 3HG2 THR 44 12.008 7.127 3.861 319 H SER 45 H SER 45 13.247 7.208 5.609 320 HA SER 45 HA SER 45 11.477 9.192 6.633 321 1HB SER 45 2HB SER 45 10.898 7.655 8.265 322 2HB SER 45 1HB SER 45 11.527 6.578 7.023 323 HG SER 45 HG SER 45 12.472 7.095 9.531 324 H SER 46 H SER 46 14.779 8.236 7.206 325 HA SER 46 HA SER 46 15.213 9.961 9.437 326 1HB SER 46 2HB SER 46 16.849 8.165 7.723 327 2HB SER 46 1HB SER 46 17.706 9.470 8.529 328 HG SER 46 HG SER 46 16.892 8.707 10.506 329 H CYS 47 H CYS 47 15.440 10.172 5.954 330 HA CYS 47 HA CYS 47 16.860 12.620 5.750 331 1HB CYS 47 2HB CYS 47 16.657 11.445 3.706 332 2HB CYS 47 1HB CYS 47 14.968 11.098 3.962 333 HG CYS 47 HG CYS 47 14.875 12.849 2.173 334 H LEU 48 H LEU 48 13.488 11.728 6.029 335 HA LEU 48 HA LEU 48 12.434 14.311 5.767 336 1HB LEU 48 2HB LEU 48 11.455 11.652 6.550 337 2HB LEU 48 1HB LEU 48 10.558 12.995 7.216 338 HG LEU 48 HG LEU 48 9.777 13.694 5.161 339 1HD1 LEU 48 1HD1 LEU 48 12.223 12.389 4.014 340 2HD1 LEU 48 2HD1 LEU 48 11.730 14.077 3.936 341 3HD1 LEU 48 3HD1 LEU 48 10.866 12.866 2.993 342 1HD2 LEU 48 1HD2 LEU 48 10.125 10.712 5.052 343 2HD2 LEU 48 2HD2 LEU 48 9.207 11.598 3.835 344 3HD2 LEU 48 3HD2 LEU 48 8.700 11.637 5.524 345 H GLU 49 H GLU 49 13.627 12.496 8.535 346 HA GLU 49 HA GLU 49 12.733 14.549 10.352 347 1HB GLU 49 2HB GLU 49 13.095 12.167 11.096 348 2HB GLU 49 1HB GLU 49 14.826 12.473 10.956 349 1HG GLU 49 2HG GLU 49 14.447 14.470 12.480 350 2HG GLU 49 1HG GLU 49 12.859 13.792 12.800 351 H HIS 50 H HIS 50 15.655 13.636 8.668 352 HA HIS 50 HA HIS 50 17.227 15.721 9.882 353 1HB HIS 50 2HB HIS 50 17.713 13.829 7.569 354 2HB HIS 50 1HB HIS 50 18.884 15.047 8.058 355 HD1 HIS 50 1HD HIS 50 20.692 13.809 9.219 356 HD2 HIS 50 2HD HIS 50 16.920 12.482 10.353 357 HE1 HIS 50 1HE HIS 50 21.094 12.112 11.031 358 HE2 HIS 50 2HE HIS 50 18.803 11.257 11.638 359 H CYS 51 H CYS 51 14.731 15.885 7.718 360 HA CYS 51 HA CYS 51 15.935 18.023 6.119 361 1HB CYS 51 2HB CYS 51 14.581 16.258 4.910 362 2HB CYS 51 1HB CYS 51 13.170 16.760 5.835 363 HG CYS 51 HG CYS 51 14.035 19.202 4.518 364 H ILE 52 H ILE 52 13.275 17.198 8.228 365 HA ILE 52 HA ILE 52 12.181 19.776 8.577 366 HB ILE 52 HB ILE 52 10.871 17.867 9.181 367 1HG1 ILE 52 2HG1 ILE 52 11.508 19.911 11.187 368 2HG1 ILE 52 1HG1 ILE 52 9.955 19.340 10.622 369 1HG2 ILE 52 1HG2 ILE 52 11.446 16.247 10.800 370 2HG2 ILE 52 2HG2 ILE 52 12.818 17.193 11.368 371 3HG2 ILE 52 3HG2 ILE 52 12.859 16.448 9.786 372 1HD1 ILE 52 1HD1 ILE 52 11.660 18.011 12.667 373 2HD1 ILE 52 2HD1 ILE 52 10.053 17.506 12.153 374 3HD1 ILE 52 3HD1 ILE 52 10.270 19.041 12.998 375 H LYS 53 H LYS 53 14.488 17.904 10.540 376 HA LYS 53 HA LYS 53 14.852 19.749 12.579 377 1HB LYS 53 2HB LYS 53 16.819 17.763 11.437 378 2HB LYS 53 1HB LYS 53 16.977 18.556 12.997 379 1HG LYS 53 2HG LYS 53 14.549 16.955 12.317 380 2HG LYS 53 1HG LYS 53 16.006 16.184 12.939 381 1HD LYS 53 2HD LYS 53 14.982 16.570 14.897 382 2HD LYS 53 1HD LYS 53 15.712 18.160 14.712 383 1HE LYS 53 2HE LYS 53 13.588 18.839 15.090 384 2HE LYS 53 1HE LYS 53 13.433 18.543 13.361 385 1HZ LYS 53 1HZ LYS 53 12.804 16.527 15.447 386 2HZ LYS 53 2HZ LYS 53 12.476 16.421 13.791 387 3HZ LYS 53 3HZ LYS 53 11.648 17.545 14.746 388 H ARG 54 H ARG 54 16.290 19.576 9.407 389 HA ARG 54 HA ARG 54 18.206 21.665 9.907 390 1HB ARG 54 2HB ARG 54 17.664 19.793 7.808 391 2HB ARG 54 1HB ARG 54 17.706 21.408 7.117 392 1HG ARG 54 2HG ARG 54 19.874 20.365 8.909 393 2HG ARG 54 1HG ARG 54 19.885 20.133 7.160 394 1HD ARG 54 2HD ARG 54 19.633 22.641 6.959 395 2HD ARG 54 1HD ARG 54 19.960 22.723 8.687 396 HE ARG 54 HE ARG 54 22.167 22.442 8.217 397 1HH1 ARG 54 1HH1 ARG 54 20.334 21.194 5.510 398 2HH1 ARG 54 2HH1 ARG 54 21.741 20.860 4.559 399 1HH2 ARG 54 1HH2 ARG 54 24.008 21.998 6.961 400 2HH2 ARG 54 2HH2 ARG 54 23.823 21.315 5.381 401 H LEU 55 H LEU 55 14.960 21.372 8.624 402 HA LEU 55 HA LEU 55 14.782 24.006 7.575 403 1HB LEU 55 2HB LEU 55 12.771 21.905 8.311 404 2HB LEU 55 1HB LEU 55 12.263 23.501 7.784 405 HG LEU 55 HG LEU 55 13.980 21.606 6.185 406 1HD1 LEU 55 1HD1 LEU 55 11.341 22.417 5.201 407 2HD1 LEU 55 2HD1 LEU 55 11.329 21.346 6.602 408 3HD1 LEU 55 3HD1 LEU 55 12.158 20.856 5.124 409 1HD2 LEU 55 1HD2 LEU 55 13.461 23.268 4.368 410 2HD2 LEU 55 2HD2 LEU 55 14.594 23.796 5.611 411 3HD2 LEU 55 3HD2 LEU 55 12.923 24.356 5.648 412 H THR 56 H THR 56 14.259 22.593 10.713 413 HA THR 56 HA THR 56 12.886 24.822 11.838 414 HB THR 56 HB THR 56 13.091 23.712 13.913 415 HG1 THR 56 1HG THR 56 15.226 22.195 12.826 416 1HG2 THR 56 1HG2 THR 56 13.324 21.166 12.564 417 2HG2 THR 56 2HG2 THR 56 12.239 22.269 11.717 418 3HG2 THR 56 3HG2 THR 56 11.952 21.876 13.413 419 H ALA 57 H ALA 57 16.227 23.911 11.380 420 HA ALA 57 HA ALA 57 17.359 25.882 13.102 421 1HB ALA 57 1HB ALA 57 18.421 23.719 12.083 422 2HB ALA 57 2HB ALA 57 19.420 25.147 12.351 423 3HB ALA 57 3HB ALA 57 18.819 24.783 10.734 424 H LEU 58 H LEU 58 16.640 25.672 9.640 425 HA LEU 58 HA LEU 58 17.663 28.276 9.040 426 1HB LEU 58 2HB LEU 58 16.391 26.057 7.613 427 2HB LEU 58 1HB LEU 58 15.956 27.632 6.988 428 HG LEU 58 HG LEU 58 18.590 27.990 7.075 429 1HD1 LEU 58 1HD1 LEU 58 18.539 25.445 7.948 430 2HD1 LEU 58 2HD1 LEU 58 19.885 26.148 7.051 431 3HD1 LEU 58 3HD1 LEU 58 18.676 25.176 6.211 432 1HD2 LEU 58 1HD2 LEU 58 18.481 27.936 4.822 433 2HD2 LEU 58 2HD2 LEU 58 16.755 27.734 5.125 434 3HD2 LEU 58 3HD2 LEU 58 17.762 26.326 4.786 435 H ASN 59 H ASN 59 14.625 26.972 10.106 436 HA ASN 59 HA ASN 59 12.551 27.848 10.432 437 1HB ASN 59 2HB ASN 59 12.568 29.971 11.719 438 2HB ASN 59 1HB ASN 59 13.717 28.781 12.323 439 1HD2 ASN 59 1HD2 ASN 59 13.278 31.907 11.047 440 2HD2 ASN 59 2HD2 ASN 59 14.937 32.388 11.036 441 H LYS 60 H LYS 60 12.105 27.887 8.100 442 HA LYS 60 HA LYS 60 10.918 30.309 7.333 443 1HB LYS 60 2HB LYS 60 13.450 30.726 6.962 444 2HB LYS 60 1HB LYS 60 13.253 29.688 5.556 445 1HG LYS 60 2HG LYS 60 12.003 31.219 4.423 446 2HG LYS 60 1HG LYS 60 11.361 31.950 5.895 447 1HD LYS 60 2HD LYS 60 14.248 32.202 5.088 448 2HD LYS 60 1HD LYS 60 13.012 33.343 4.558 449 1HE LYS 60 2HE LYS 60 13.205 32.722 7.459 450 2HE LYS 60 1HE LYS 60 14.444 33.753 6.745 451 1HZ LYS 60 1HZ LYS 60 12.661 35.093 7.598 452 2HZ LYS 60 2HZ LYS 60 11.515 34.234 6.699 453 3HZ LYS 60 3HZ LYS 60 12.660 35.196 5.909 454 HA PRO 61 HA PRO 61 9.139 30.520 6.816 455 1HB PRO 61 2HB PRO 61 6.585 29.747 6.418 456 2HB PRO 61 1HB PRO 61 7.535 30.588 5.198 457 1HG PRO 61 2HG PRO 61 6.678 27.781 5.292 458 2HG PRO 61 1HG PRO 61 7.184 28.757 3.907 459 1HD PRO 61 2HD PRO 61 8.714 26.822 5.361 460 2HD PRO 61 1HD PRO 61 9.228 27.808 3.982 461 H PHE 62 H PHE 62 6.858 27.853 7.267 462 HA PHE 62 HA PHE 62 7.791 27.424 9.993 463 1HB PHE 62 2HB PHE 62 5.074 28.487 9.243 464 2HB PHE 62 1HB PHE 62 5.339 27.613 10.748 465 HD1 PHE 62 1HD PHE 62 6.453 28.626 12.586 466 HD2 PHE 62 2HD PHE 62 6.184 30.650 8.852 467 HE1 PHE 62 1HE PHE 62 7.208 30.706 13.664 468 HE2 PHE 62 2HE PHE 62 6.939 32.733 9.922 469 HZ PHE 62 HZ PHE 62 7.452 32.763 12.331 470 H LYS 63 H LYS 63 4.812 26.649 8.220 471 HA LYS 63 HA LYS 63 4.846 23.931 9.058 472 1HB LYS 63 2HB LYS 63 3.041 25.701 7.669 473 2HB LYS 63 1HB LYS 63 3.123 24.155 6.838 474 1HG LYS 63 2HG LYS 63 2.737 24.231 9.795 475 2HG LYS 63 1HG LYS 63 1.375 24.531 8.715 476 1HD LYS 63 2HD LYS 63 1.331 22.384 7.952 477 2HD LYS 63 1HD LYS 63 3.072 22.167 8.143 478 1HE LYS 63 2HE LYS 63 2.758 22.059 10.588 479 2HE LYS 63 1HE LYS 63 1.017 22.196 10.350 480 1HZ LYS 63 1HZ LYS 63 1.533 20.141 8.771 481 2HZ LYS 63 2HZ LYS 63 1.170 19.960 10.413 482 3HZ LYS 63 3HZ LYS 63 2.780 19.925 9.896 483 H TYR 64 H TYR 64 6.764 23.000 8.386 484 HA TYR 64 HA TYR 64 7.285 22.890 5.509 485 1HB TYR 64 2HB TYR 64 9.121 21.554 7.434 486 2HB TYR 64 1HB TYR 64 9.493 22.468 5.978 487 HD1 TYR 64 1HD TYR 64 9.436 22.516 9.529 488 HD2 TYR 64 2HD TYR 64 9.188 25.037 6.113 489 HE1 TYR 64 1HE TYR 64 10.046 24.449 10.921 490 HE2 TYR 64 2HE TYR 64 9.801 26.978 7.492 491 HH TYR 64 HH TYR 64 10.788 27.553 9.549 492 H VAL 65 H VAL 65 6.352 21.272 4.453 493 HA VAL 65 HA VAL 65 5.995 18.719 5.850 494 HB VAL 65 HB VAL 65 3.850 19.417 5.180 495 1HG1 VAL 65 1HG1 VAL 65 3.366 20.078 2.838 496 2HG1 VAL 65 2HG1 VAL 65 5.108 20.109 2.561 497 3HG1 VAL 65 3HG1 VAL 65 4.381 21.207 3.735 498 1HG2 VAL 65 1HG2 VAL 65 4.582 17.064 4.434 499 2HG2 VAL 65 2HG2 VAL 65 4.569 17.745 2.807 500 3HG2 VAL 65 3HG2 VAL 65 3.091 17.735 3.770 501 H VAL 66 H VAL 66 7.943 17.783 5.485 502 HA VAL 66 HA VAL 66 9.010 17.621 2.777 503 HB VAL 66 HB VAL 66 10.143 16.382 5.285 504 1HG1 VAL 66 1HG1 VAL 66 12.112 16.080 4.102 505 2HG1 VAL 66 2HG1 VAL 66 11.673 17.262 2.871 506 3HG1 VAL 66 3HG1 VAL 66 10.868 15.693 2.914 507 1HG2 VAL 66 1HG2 VAL 66 11.133 18.976 4.176 508 2HG2 VAL 66 2HG2 VAL 66 11.328 18.301 5.792 509 3HG2 VAL 66 3HG2 VAL 66 9.771 18.958 5.294 510 H THR 67 H THR 67 8.610 15.896 1.485 511 HA THR 67 HA THR 67 7.999 13.337 2.768 512 HB THR 67 HB THR 67 5.823 14.100 2.278 513 HG1 THR 67 1HG THR 67 5.749 12.110 1.520 514 1HG2 THR 67 1HG2 THR 67 5.916 14.552 -0.541 515 2HG2 THR 67 2HG2 THR 67 7.020 15.646 0.296 516 3HG2 THR 67 3HG2 THR 67 5.316 15.599 0.745 517 H CYS 68 H CYS 68 8.238 11.479 1.411 518 HA CYS 68 HA CYS 68 9.669 11.829 -1.090 519 1HB CYS 68 2HB CYS 68 11.385 11.910 0.759 520 2HB CYS 68 1HB CYS 68 10.925 10.261 1.160 521 HG CYS 68 HG CYS 68 12.042 9.415 -0.938 522 H ILE 69 H ILE 69 9.852 9.900 -2.304 523 HA ILE 69 HA ILE 69 8.272 7.619 -1.350 524 HB ILE 69 HB ILE 69 7.981 9.022 -4.006 525 1HG1 ILE 69 2HG1 ILE 69 5.532 8.990 -3.245 526 2HG1 ILE 69 1HG1 ILE 69 6.170 8.599 -1.651 527 1HG2 ILE 69 1HG2 ILE 69 7.721 6.920 -4.807 528 2HG2 ILE 69 2HG2 ILE 69 6.093 7.152 -4.171 529 3HG2 ILE 69 3HG2 ILE 69 7.287 6.257 -3.231 530 1HD1 ILE 69 1HD1 ILE 69 5.838 11.126 -2.799 531 2HD1 ILE 69 2HD1 ILE 69 7.577 10.842 -2.735 532 3HD1 ILE 69 3HD1 ILE 69 6.610 10.728 -1.264 533 H ILE 70 H ILE 70 9.466 5.831 -1.470 534 HA ILE 70 HA ILE 70 11.897 5.827 -3.055 535 HB ILE 70 HB ILE 70 12.334 3.642 -1.930 536 1HG1 ILE 70 2HG1 ILE 70 10.016 4.291 -0.127 537 2HG1 ILE 70 1HG1 ILE 70 9.790 3.287 -1.556 538 1HG2 ILE 70 1HG2 ILE 70 11.702 5.728 0.125 539 2HG2 ILE 70 2HG2 ILE 70 12.972 5.976 -1.072 540 3HG2 ILE 70 3HG2 ILE 70 13.072 4.620 0.051 541 1HD1 ILE 70 1HD1 ILE 70 10.138 1.725 0.091 542 2HD1 ILE 70 2HD1 ILE 70 11.328 2.718 0.931 543 3HD1 ILE 70 3HD1 ILE 70 11.759 1.911 -0.577 544 H MET 71 H MET 71 12.438 4.326 -4.607 545 HA MET 71 HA MET 71 10.224 2.716 -5.693 546 1HB MET 71 2HB MET 71 11.176 4.884 -6.957 547 2HB MET 71 1HB MET 71 12.337 3.698 -7.539 548 1HG MET 71 2HG MET 71 10.809 2.614 -8.802 549 2HG MET 71 1HG MET 71 9.487 2.942 -7.683 550 1HE MET 71 1HE MET 71 7.905 3.241 -9.251 551 2HE MET 71 2HE MET 71 7.711 4.547 -10.421 552 3HE MET 71 3HE MET 71 7.466 4.859 -8.703 553 H GLN 72 H GLN 72 10.881 0.806 -4.753 554 HA GLN 72 HA GLN 72 13.578 -0.111 -4.801 555 1HB GLN 72 2HB GLN 72 11.883 -0.803 -3.107 556 2HB GLN 72 1HB GLN 72 11.057 -1.719 -4.360 557 1HG GLN 72 2HG GLN 72 12.617 -3.364 -4.386 558 2HG GLN 72 1HG GLN 72 13.934 -2.275 -3.951 559 1HE2 GLN 72 1HE2 GLN 72 10.852 -3.255 -2.481 560 2HE2 GLN 72 2HE2 GLN 72 11.517 -3.639 -0.933 561 H LYS 73 H LYS 73 14.645 -1.237 -6.292 562 HA LYS 73 HA LYS 73 15.155 -2.236 -8.267 563 1HB LYS 73 2HB LYS 73 13.353 -3.837 -7.025 564 2HB LYS 73 1HB LYS 73 12.519 -3.544 -8.545 565 1HG LYS 73 2HG LYS 73 13.981 -4.771 -9.741 566 2HG LYS 73 1HG LYS 73 15.364 -4.269 -8.768 567 1HD LYS 73 2HD LYS 73 14.351 -5.742 -6.926 568 2HD LYS 73 1HD LYS 73 13.360 -6.434 -8.213 569 1HE LYS 73 2HE LYS 73 15.766 -6.584 -9.381 570 2HE LYS 73 1HE LYS 73 16.261 -6.695 -7.692 571 1HZ LYS 73 1HZ LYS 73 14.265 -8.447 -9.023 572 2HZ LYS 73 2HZ LYS 73 14.753 -8.558 -7.407 573 3HZ LYS 73 3HZ LYS 73 15.859 -8.877 -8.647 574 H ASN 74 H ASN 74 13.690 -2.947 -10.496 575 HA ASN 74 HA ASN 74 12.347 -0.464 -11.317 576 1HB ASN 74 2HB ASN 74 13.499 -0.735 -13.557 577 2HB ASN 74 1HB ASN 74 14.538 -0.237 -12.225 578 1HD2 ASN 74 1HD2 ASN 74 16.283 -1.411 -11.781 579 2HD2 ASN 74 2HD2 ASN 74 16.663 -2.941 -12.488 580 H GLY 75 H GLY 75 11.039 -2.787 -10.503 581 1HA GLY 75 2HA GLY 75 9.805 -3.602 -13.050 582 2HA GLY 75 1HA GLY 75 10.246 -4.821 -11.864 583 H ALA 76 H ALA 76 9.039 -1.716 -10.857 584 HA ALA 76 HA ALA 76 6.378 -2.855 -10.377 585 1HB ALA 76 1HB ALA 76 7.499 -3.207 -8.299 586 2HB ALA 76 2HB ALA 76 6.405 -1.841 -8.089 587 3HB ALA 76 3HB ALA 76 8.133 -1.562 -8.297 588 H GLY 77 H GLY 77 4.701 -1.414 -10.536 589 1HA GLY 77 2HA GLY 77 5.460 1.369 -11.193 590 2HA GLY 77 1HA GLY 77 4.146 0.512 -11.982 591 H LEU 78 H LEU 78 5.000 2.597 -9.482 592 HA LEU 78 HA LEU 78 2.256 2.521 -8.463 593 1HB LEU 78 2HB LEU 78 3.812 1.246 -6.938 594 2HB LEU 78 1HB LEU 78 4.641 2.763 -6.638 595 HG LEU 78 HG LEU 78 1.710 2.732 -6.190 596 1HD1 LEU 78 1HD1 LEU 78 3.567 0.926 -4.825 597 2HD1 LEU 78 2HD1 LEU 78 1.807 0.894 -4.914 598 3HD1 LEU 78 3HD1 LEU 78 2.610 1.940 -3.745 599 1HD2 LEU 78 1HD2 LEU 78 4.102 4.181 -5.275 600 2HD2 LEU 78 2HD2 LEU 78 2.859 3.912 -4.052 601 3HD2 LEU 78 3HD2 LEU 78 2.457 4.755 -5.547 602 H HIS 79 H HIS 79 1.410 4.492 -7.922 603 HA HIS 79 HA HIS 79 3.169 6.823 -7.906 604 1HB HIS 79 2HB HIS 79 0.928 6.348 -9.856 605 2HB HIS 79 1HB HIS 79 1.428 7.980 -9.422 606 HD1 HIS 79 1HD HIS 79 3.046 4.804 -10.763 607 HD2 HIS 79 2HD HIS 79 3.397 8.937 -11.006 608 HE1 HIS 79 1HE HIS 79 4.858 5.226 -12.453 609 HE2 HIS 79 2HE HIS 79 4.995 7.734 -12.646 610 H THR 80 H THR 80 2.469 8.474 -6.623 611 HA THR 80 HA THR 80 0.112 7.911 -4.986 612 HB THR 80 HB THR 80 2.275 9.990 -4.598 613 HG1 THR 80 1HG THR 80 3.232 8.046 -4.311 614 1HG2 THR 80 1HG2 THR 80 -0.151 9.326 -3.086 615 2HG2 THR 80 2HG2 THR 80 0.789 10.817 -3.140 616 3HG2 THR 80 3HG2 THR 80 1.327 9.473 -2.135 617 H ALA 81 H ALA 81 -1.534 9.443 -4.646 618 HA ALA 81 HA ALA 81 -1.575 11.690 -6.562 619 1HB ALA 81 1HB ALA 81 -2.941 9.775 -7.372 620 2HB ALA 81 2HB ALA 81 -3.869 11.252 -7.111 621 3HB ALA 81 3HB ALA 81 -3.948 9.942 -5.933 622 H ALA 82 H ALA 82 -2.564 13.576 -5.884 623 HA ALA 82 HA ALA 82 -4.056 13.650 -3.442 624 1HB ALA 82 1HB ALA 82 -2.653 14.908 -2.080 625 2HB ALA 82 2HB ALA 82 -1.560 15.291 -3.409 626 3HB ALA 82 3HB ALA 82 -1.608 13.655 -2.749 627 H SER 83 H SER 83 -5.359 15.369 -3.255 628 HA SER 83 HA SER 83 -5.148 17.440 -5.340 629 1HB SER 83 2HB SER 83 -7.072 15.956 -5.706 630 2HB SER 83 1HB SER 83 -7.653 16.291 -4.079 631 HG SER 83 HG SER 83 -8.742 17.723 -5.267 632 H CYS 84 H CYS 84 -4.681 19.367 -4.529 633 HA CYS 84 HA CYS 84 -5.432 19.950 -1.752 634 1HB CYS 84 2HB CYS 84 -3.420 21.446 -3.389 635 2HB CYS 84 1HB CYS 84 -3.629 21.486 -1.647 636 HG CYS 84 HG CYS 84 -1.900 19.546 -3.158 637 H TRP 85 H TRP 85 -6.423 21.893 -1.214 638 HA TRP 85 HA TRP 85 -8.160 22.964 -3.228 639 1HB TRP 85 2HB TRP 85 -8.312 22.711 -0.508 640 2HB TRP 85 1HB TRP 85 -7.932 24.422 -0.670 641 HD1 TRP 85 HD TRP 85 -10.521 21.902 -2.075 642 HE1 TRP 85 1HE TRP 85 -12.751 23.141 -2.373 643 HE3 TRP 85 3HE TRP 85 -9.030 26.598 -0.708 644 HZ2 TRP 85 2HZ TRP 85 -13.753 25.765 -2.072 645 HZ3 TRP 85 3HZ TRP 85 -10.687 28.417 -0.741 646 HH2 TRP 85 HH TRP 85 -12.999 28.007 -1.409 647 H TRP 86 H TRP 86 -8.307 25.670 -2.643 648 HA TRP 86 HA TRP 86 -5.898 26.605 -3.969 649 1HB TRP 86 2HB TRP 86 -8.417 28.100 -3.204 650 2HB TRP 86 1HB TRP 86 -7.114 28.734 -4.205 651 HD1 TRP 86 HD TRP 86 -6.633 26.856 -6.435 652 HE1 TRP 86 1HE TRP 86 -8.450 26.039 -8.065 653 HE3 TRP 86 3HE TRP 86 -10.766 27.761 -3.564 654 HZ2 TRP 86 2HZ TRP 86 -11.263 25.809 -8.125 655 HZ3 TRP 86 3HZ TRP 86 -12.982 27.214 -4.481 656 HH2 TRP 86 HH TRP 86 -13.224 26.259 -6.714 657 H ASP 87 H ASP 87 -4.343 27.839 -3.096 658 HA ASP 87 HA ASP 87 -4.481 29.558 -0.940 659 1HB ASP 87 2HB ASP 87 -4.803 27.041 0.082 660 2HB ASP 87 1HB ASP 87 -3.058 27.224 0.183 661 H SER 88 H SER 88 -3.025 30.743 -2.124 662 HA SER 88 HA SER 88 -0.677 29.731 -3.297 663 1HB SER 88 2HB SER 88 0.015 32.246 -3.156 664 2HB SER 88 1HB SER 88 -1.350 31.781 -4.171 665 HG SER 88 HG SER 88 -1.447 33.594 -2.410 666 H THR 89 H THR 89 -1.394 30.394 -0.014 667 HA THR 89 HA THR 89 1.289 30.990 0.806 668 HB THR 89 HB THR 89 -0.699 31.823 2.014 669 HG1 THR 89 1HG THR 89 0.289 31.694 3.910 670 1HG2 THR 89 1HG2 THR 89 -2.243 30.566 3.042 671 2HG2 THR 89 2HG2 THR 89 -1.092 29.299 3.461 672 3HG2 THR 89 3HG2 THR 89 -1.770 29.371 1.834 673 H THR 90 H THR 90 0.051 28.147 -0.303 674 HA THR 90 HA THR 90 1.333 26.476 1.696 675 HB THR 90 HB THR 90 0.315 24.601 0.460 676 HG1 THR 90 1HG THR 90 -0.447 24.887 -1.464 677 1HG2 THR 90 1HG2 THR 90 -1.352 26.864 1.417 678 2HG2 THR 90 2HG2 THR 90 -1.168 25.237 2.071 679 3HG2 THR 90 3HG2 THR 90 -2.138 25.501 0.622 680 H ASP 91 H ASP 91 2.971 28.151 0.002 681 HA ASP 91 HA ASP 91 4.969 28.046 -1.067 682 1HB ASP 91 2HB ASP 91 4.974 25.884 0.552 683 2HB ASP 91 1HB ASP 91 5.192 25.107 -1.011 684 H GLY 92 H GLY 92 3.519 24.963 -2.075 685 1HA GLY 92 2HA GLY 92 2.435 25.069 -4.373 686 2HA GLY 92 1HA GLY 92 3.945 25.818 -4.870 687 H SER 93 H SER 93 4.817 23.649 -2.570 688 HA SER 93 HA SER 93 5.888 21.691 -2.562 689 1HB SER 93 2HB SER 93 4.753 19.841 -3.992 690 2HB SER 93 1HB SER 93 3.864 20.559 -2.652 691 HG SER 93 HG SER 93 3.620 21.224 -5.399 692 H ARG 94 H ARG 94 7.660 20.788 -3.373 693 HA ARG 94 HA ARG 94 8.175 20.906 -6.258 694 1HB ARG 94 2HB ARG 94 10.088 21.939 -4.150 695 2HB ARG 94 1HB ARG 94 10.473 21.736 -5.852 696 1HG ARG 94 2HG ARG 94 8.117 23.401 -5.219 697 2HG ARG 94 1HG ARG 94 9.700 24.058 -4.802 698 1HD ARG 94 2HD ARG 94 10.255 23.216 -7.264 699 2HD ARG 94 1HD ARG 94 8.521 23.466 -7.459 700 HE ARG 94 HE ARG 94 10.543 25.484 -7.169 701 1HH1 ARG 94 1HH1 ARG 94 7.143 24.775 -6.749 702 2HH1 ARG 94 2HH1 ARG 94 6.662 26.435 -6.850 703 1HH2 ARG 94 1HH2 ARG 94 9.902 27.661 -7.299 704 2HH2 ARG 94 2HH2 ARG 94 8.226 28.071 -7.162 705 H THR 95 H THR 95 9.016 19.005 -6.975 706 HA THR 95 HA THR 95 9.878 17.101 -4.930 707 HB THR 95 HB THR 95 7.936 16.635 -6.563 708 HG1 THR 95 1HG THR 95 10.035 14.853 -5.963 709 1HG2 THR 95 1HG2 THR 95 9.772 15.258 -8.342 710 2HG2 THR 95 2HG2 THR 95 9.813 17.013 -8.511 711 3HG2 THR 95 3HG2 THR 95 8.289 16.144 -8.698 712 H VAL 96 H VAL 96 11.650 15.735 -5.185 713 HA VAL 96 HA VAL 96 13.651 16.558 -7.184 714 HB VAL 96 HB VAL 96 14.286 15.864 -4.308 715 1HG1 VAL 96 1HG1 VAL 96 16.536 16.775 -4.945 716 2HG1 VAL 96 2HG1 VAL 96 15.986 16.773 -6.621 717 3HG1 VAL 96 3HG1 VAL 96 16.097 15.257 -5.727 718 1HG2 VAL 96 1HG2 VAL 96 13.684 18.437 -5.617 719 2HG2 VAL 96 2HG2 VAL 96 15.093 18.416 -4.556 720 3HG2 VAL 96 3HG2 VAL 96 13.510 17.951 -3.931 721 H ARG 97 H ARG 97 14.961 14.846 -7.971 722 HA ARG 97 HA ARG 97 14.040 12.167 -7.148 723 1HB ARG 97 2HB ARG 97 13.291 12.764 -9.393 724 2HB ARG 97 1HB ARG 97 14.950 13.076 -9.876 725 1HG ARG 97 2HG ARG 97 15.314 10.933 -10.328 726 2HG ARG 97 1HG ARG 97 14.668 10.424 -8.768 727 1HD ARG 97 2HD ARG 97 12.660 9.906 -9.632 728 2HD ARG 97 1HD ARG 97 12.638 11.322 -10.681 729 HE ARG 97 HE ARG 97 14.480 9.666 -11.821 730 1HH1 ARG 97 1HH1 ARG 97 11.119 9.325 -10.912 731 2HH1 ARG 97 2HH1 ARG 97 10.774 8.178 -12.162 732 1HH2 ARG 97 1HH2 ARG 97 14.017 8.161 -13.460 733 2HH2 ARG 97 2HH2 ARG 97 12.415 7.518 -13.606 734 H TRP 98 H TRP 98 15.508 11.173 -5.995 735 HA TRP 98 HA TRP 98 18.380 11.484 -6.654 736 1HB TRP 98 2HB TRP 98 16.842 11.173 -4.163 737 2HB TRP 98 1HB TRP 98 18.167 10.032 -4.262 738 HD1 TRP 98 HD TRP 98 17.722 12.696 -2.319 739 HE1 TRP 98 1HE TRP 98 19.749 14.248 -2.049 740 HE3 TRP 98 3HE TRP 98 20.374 11.363 -6.480 741 HZ2 TRP 98 2HZ TRP 98 22.095 14.887 -3.406 742 HZ3 TRP 98 3HZ TRP 98 22.506 12.503 -6.926 743 HH2 TRP 98 HH TRP 98 23.355 14.226 -5.418 744 H GLU 99 H GLU 99 19.611 9.665 -7.058 745 HA GLU 99 HA GLU 99 18.441 7.020 -6.895 746 1HB GLU 99 2HB GLU 99 19.680 7.874 -9.495 747 2HB GLU 99 1HB GLU 99 18.709 6.451 -9.165 748 1HG GLU 99 2HG GLU 99 16.792 8.067 -8.712 749 2HG GLU 99 1HG GLU 99 17.806 9.291 -9.474 750 H ASN 100 H ASN 100 19.964 5.464 -6.479 751 HA ASN 100 HA ASN 100 22.784 6.272 -6.711 752 1HB ASN 100 2HB ASN 100 22.983 4.679 -4.574 753 2HB ASN 100 1HB ASN 100 22.710 6.411 -4.442 754 1HD2 ASN 100 1HD2 ASN 100 21.787 3.537 -3.263 755 2HD2 ASN 100 2HD2 ASN 100 20.180 3.911 -2.750 756 H LYS 101 H LYS 101 21.454 3.241 -5.449 757 HA LYS 101 HA LYS 101 22.995 1.805 -7.460 758 1HB LYS 101 2HB LYS 101 22.983 1.327 -4.897 759 2HB LYS 101 1HB LYS 101 21.477 0.488 -5.234 760 1HG LYS 101 2HG LYS 101 24.167 -0.121 -6.440 761 2HG LYS 101 1HG LYS 101 23.322 -1.070 -5.217 762 1HD LYS 101 2HD LYS 101 21.449 -1.337 -6.888 763 2HD LYS 101 1HD LYS 101 22.531 -0.630 -8.090 764 1HE LYS 101 2HE LYS 101 24.112 -2.555 -7.002 765 2HE LYS 101 1HE LYS 101 22.523 -3.309 -6.891 766 1HZ LYS 101 1HZ LYS 101 22.221 -3.096 -9.217 767 2HZ LYS 101 2HZ LYS 101 23.763 -3.754 -8.991 768 3HZ LYS 101 3HZ LYS 101 23.592 -2.119 -9.388 769 H SER 102 H SER 102 21.425 2.546 -9.078 770 HA SER 102 HA SER 102 19.862 2.008 -10.637 771 1HB SER 102 2HB SER 102 20.535 -0.338 -10.305 772 2HB SER 102 1HB SER 102 19.379 -0.483 -8.982 773 HG SER 102 HG SER 102 18.876 -0.126 -11.736 774 H MET 103 H MET 103 18.509 0.955 -7.491 775 HA MET 103 HA MET 103 15.874 1.576 -7.903 776 1HB MET 103 2HB MET 103 17.422 2.000 -5.340 777 2HB MET 103 1HB MET 103 15.675 1.859 -5.471 778 1HG MET 103 2HG MET 103 15.946 -0.305 -5.080 779 2HG MET 103 1HG MET 103 16.582 -0.420 -6.720 780 1HE MET 103 1HE MET 103 19.001 -2.768 -5.290 781 2HE MET 103 2HE MET 103 19.173 -1.897 -6.815 782 3HE MET 103 3HE MET 103 17.579 -2.425 -6.275 783 H TYR 104 H TYR 104 14.555 3.397 -7.112 784 HA TYR 104 HA TYR 104 15.972 5.965 -7.468 785 1HB TYR 104 2HB TYR 104 13.074 5.467 -8.148 786 2HB TYR 104 1HB TYR 104 14.067 6.849 -8.594 787 HD1 TYR 104 1HD TYR 104 12.414 4.531 -10.177 788 HD2 TYR 104 2HD TYR 104 16.507 5.525 -9.586 789 HE1 TYR 104 1HE TYR 104 12.981 3.429 -12.302 790 HE2 TYR 104 2HE TYR 104 17.087 4.427 -11.709 791 HH TYR 104 HH TYR 104 15.342 3.884 -14.038 792 H CYS 105 H CYS 105 15.096 7.801 -6.365 793 HA CYS 105 HA CYS 105 13.250 7.309 -4.176 794 1HB CYS 105 2HB CYS 105 16.114 8.178 -3.766 795 2HB CYS 105 1HB CYS 105 14.859 8.399 -2.553 796 HG CYS 105 HG CYS 105 14.866 5.528 -3.183 797 H ILE 106 H ILE 106 11.802 8.796 -4.829 798 HA ILE 106 HA ILE 106 12.704 11.446 -5.649 799 HB ILE 106 HB ILE 106 11.013 10.567 -7.058 800 1HG1 ILE 106 2HG1 ILE 106 9.195 12.274 -5.446 801 2HG1 ILE 106 1HG1 ILE 106 10.725 12.997 -5.939 802 1HG2 ILE 106 1HG2 ILE 106 8.684 10.138 -5.824 803 2HG2 ILE 106 2HG2 ILE 106 9.790 9.678 -4.530 804 3HG2 ILE 106 3HG2 ILE 106 9.882 8.874 -6.096 805 1HD1 ILE 106 1HD1 ILE 106 9.334 11.579 -8.074 806 2HD1 ILE 106 2HD1 ILE 106 10.084 13.175 -8.064 807 3HD1 ILE 106 3HD1 ILE 106 8.456 12.963 -7.422 808 H CYS 107 H CYS 107 13.069 12.893 -4.138 809 HA CYS 107 HA CYS 107 11.400 12.879 -1.713 810 1HB CYS 107 2HB CYS 107 13.301 14.294 -0.756 811 2HB CYS 107 1HB CYS 107 13.642 12.591 -1.030 812 HG CYS 107 HG CYS 107 15.230 13.184 -2.889 813 H THR 108 H THR 108 9.843 14.327 -1.786 814 HA THR 108 HA THR 108 10.356 16.876 -3.157 815 HB THR 108 HB THR 108 8.494 15.360 -4.008 816 HG1 THR 108 1HG THR 108 7.316 17.093 -4.558 817 1HG2 THR 108 1HG2 THR 108 6.320 15.562 -2.894 818 2HG2 THR 108 2HG2 THR 108 7.126 16.300 -1.513 819 3HG2 THR 108 3HG2 THR 108 7.484 14.632 -1.950 820 H VAL 109 H VAL 109 9.590 18.816 -2.181 821 HA VAL 109 HA VAL 109 8.921 18.600 0.670 822 HB VAL 109 HB VAL 109 10.615 20.929 0.068 823 1HG1 VAL 109 1HG1 VAL 109 11.007 20.831 2.254 824 2HG1 VAL 109 2HG1 VAL 109 11.411 19.116 2.206 825 3HG1 VAL 109 3HG1 VAL 109 9.725 19.623 2.299 826 1HG2 VAL 109 1HG2 VAL 109 11.983 18.259 0.190 827 2HG2 VAL 109 2HG2 VAL 109 12.715 19.850 -0.015 828 3HG2 VAL 109 3HG2 VAL 109 11.724 19.164 -1.302 829 H PHE 110 H PHE 110 7.435 20.004 1.369 830 HA PHE 110 HA PHE 110 6.757 22.227 -0.396 831 1HB PHE 110 2HB PHE 110 4.481 21.226 1.149 832 2HB PHE 110 1HB PHE 110 4.549 21.839 -0.478 833 HD1 PHE 110 1HD PHE 110 6.347 19.981 -1.813 834 HD2 PHE 110 2HD PHE 110 3.311 19.249 1.069 835 HE1 PHE 110 1HE PHE 110 6.035 17.735 -2.724 836 HE2 PHE 110 2HE PHE 110 2.999 16.987 0.172 837 HZ PHE 110 HZ PHE 110 4.362 16.220 -1.731 838 H GLY 111 H GLY 111 7.537 23.882 0.615 839 1HA GLY 111 2HA GLY 111 7.526 24.046 3.526 840 2HA GLY 111 1HA GLY 111 8.275 25.196 2.420 841 H LEU 112 H LEU 112 5.206 24.082 3.733 842 HA LEU 112 HA LEU 112 3.757 26.280 2.590 843 1HB LEU 112 2HB LEU 112 3.024 24.072 4.489 844 2HB LEU 112 1HB LEU 112 1.887 25.318 4.013 845 HG LEU 112 HG LEU 112 1.792 24.547 1.787 846 1HD1 LEU 112 1HD1 LEU 112 4.199 24.283 1.391 847 2HD1 LEU 112 2HD1 LEU 112 3.274 22.898 0.817 848 3HD1 LEU 112 3HD1 LEU 112 4.165 22.797 2.330 849 1HD2 LEU 112 1HD2 LEU 112 0.580 23.084 3.183 850 2HD2 LEU 112 2HD2 LEU 112 2.046 22.204 3.622 851 3HD2 LEU 112 3HD2 LEU 112 1.420 22.110 1.976 852 H ALA 113 H ALA 113 3.247 28.158 3.403 853 HA ALA 113 HA ALA 113 4.434 29.049 5.853 854 1HB ALA 113 1HB ALA 113 3.066 31.169 5.225 855 2HB ALA 113 2HB ALA 113 2.803 30.325 3.699 856 3HB ALA 113 3HB ALA 113 4.443 30.695 4.230 857 H ILE 114 H ILE 114 3.361 27.633 7.335 858 HA ILE 114 HA ILE 114 1.867 27.232 9.010 859 HB ILE 114 HB ILE 114 0.449 29.753 8.146 860 1HG1 ILE 114 2HG1 ILE 114 2.865 30.152 8.549 861 2HG1 ILE 114 1HG1 ILE 114 1.841 30.954 9.736 862 1HG2 ILE 114 1HG2 ILE 114 0.065 29.708 10.747 863 2HG2 ILE 114 2HG2 ILE 114 0.330 27.979 10.532 864 3HG2 ILE 114 3HG2 ILE 114 -0.971 28.786 9.658 865 1HD1 ILE 114 1HD1 ILE 114 3.811 29.940 10.754 866 2HD1 ILE 114 2HD1 ILE 114 3.304 28.359 10.160 867 3HD1 ILE 114 3HD1 ILE 114 2.321 29.210 11.352 868 1H MET 1 1HT MET 1 -14.863 -13.836 -4.041 869 HA MET 1 HA MET 1 -15.960 -15.392 -5.191 870 1HB MET 1 2HB MET 1 -16.775 -12.882 -5.166 871 2HB MET 1 1HB MET 1 -16.549 -13.010 -6.905 872 1HG MET 1 2HG MET 1 -18.210 -14.615 -7.131 873 2HG MET 1 1HG MET 1 -18.166 -15.040 -5.421 874 1HE MET 1 1HE MET 1 -19.120 -12.928 -8.159 875 2HE MET 1 2HE MET 1 -19.351 -11.340 -7.427 876 3HE MET 1 3HE MET 1 -20.738 -12.397 -7.699 877 H GLU 2 H GLU 2 -13.820 -13.546 -7.268 878 HA GLU 2 HA GLU 2 -13.356 -15.809 -8.950 879 1HB GLU 2 2HB GLU 2 -15.574 -14.597 -9.726 880 2HB GLU 2 1HB GLU 2 -14.440 -13.483 -10.477 881 1HG GLU 2 2HG GLU 2 -13.373 -15.535 -11.534 882 2HG GLU 2 1HG GLU 2 -14.815 -16.408 -11.016 883 H GLY 3 H GLY 3 -11.774 -14.089 -7.327 884 1HA GLY 3 2HA GLY 3 -9.466 -13.602 -7.828 885 2HA GLY 3 1HA GLY 3 -9.978 -13.024 -9.407 886 H VAL 4 H VAL 4 -11.828 -11.214 -9.035 887 HA VAL 4 HA VAL 4 -10.446 -8.978 -8.012 888 HB VAL 4 HB VAL 4 -13.409 -9.142 -8.568 889 1HG1 VAL 4 1HG1 VAL 4 -11.815 -6.716 -9.125 890 2HG1 VAL 4 2HG1 VAL 4 -12.097 -7.108 -7.429 891 3HG1 VAL 4 3HG1 VAL 4 -13.464 -6.878 -8.520 892 1HG2 VAL 4 1HG2 VAL 4 -12.638 -8.187 -10.835 893 2HG2 VAL 4 2HG2 VAL 4 -12.484 -9.921 -10.556 894 3HG2 VAL 4 3HG2 VAL 4 -11.069 -8.877 -10.420 895 H ASP 5 H ASP 5 -10.520 -7.945 -6.086 896 HA ASP 5 HA ASP 5 -12.482 -8.852 -4.095 897 1HB ASP 5 2HB ASP 5 -9.900 -9.691 -3.997 898 2HB ASP 5 1HB ASP 5 -9.796 -8.214 -3.045 899 HA PRO 6 HA PRO 6 -12.778 -4.284 -4.259 900 1HB PRO 6 2HB PRO 6 -15.106 -4.861 -2.520 901 2HB PRO 6 1HB PRO 6 -15.014 -3.893 -3.994 902 1HG PRO 6 2HG PRO 6 -16.180 -6.290 -4.002 903 2HG PRO 6 1HG PRO 6 -15.205 -5.741 -5.379 904 1HD PRO 6 2HD PRO 6 -14.487 -7.651 -3.186 905 2HD PRO 6 1HD PRO 6 -14.121 -7.739 -4.923 906 H ALA 7 H ALA 7 -11.419 -3.230 -2.981 907 HA ALA 7 HA ALA 7 -10.469 -2.279 -1.138 908 1HB ALA 7 1HB ALA 7 -13.126 -3.042 -0.193 909 2HB ALA 7 2HB ALA 7 -12.226 -1.545 0.034 910 3HB ALA 7 3HB ALA 7 -11.920 -2.923 1.088 911 H VAL 8 H VAL 8 -11.821 -5.345 0.026 912 HA VAL 8 HA VAL 8 -10.883 -7.210 0.925 913 HB VAL 8 HB VAL 8 -8.032 -6.547 0.618 914 1HG1 VAL 8 1HG1 VAL 8 -9.480 -8.790 0.988 915 2HG1 VAL 8 2HG1 VAL 8 -7.833 -8.759 0.357 916 3HG1 VAL 8 3HG1 VAL 8 -9.199 -8.864 -0.753 917 1HG2 VAL 8 1HG2 VAL 8 -9.819 -6.214 -1.689 918 2HG2 VAL 8 2HG2 VAL 8 -8.420 -7.256 -1.951 919 3HG2 VAL 8 3HG2 VAL 8 -8.195 -5.598 -1.397 920 H GLU 9 H GLU 9 -8.544 -4.592 1.503 921 HA GLU 9 HA GLU 9 -8.923 -5.023 4.387 922 1HB GLU 9 2HB GLU 9 -6.518 -5.242 2.739 923 2HB GLU 9 1HB GLU 9 -6.307 -4.200 4.129 924 1HG GLU 9 2HG GLU 9 -7.655 -6.712 4.741 925 2HG GLU 9 1HG GLU 9 -6.021 -6.910 4.111 926 H GLU 10 H GLU 10 -10.217 -3.228 4.672 927 HA GLU 10 HA GLU 10 -9.848 -0.693 3.580 928 1HB GLU 10 2HB GLU 10 -11.757 -1.752 5.096 929 2HB GLU 10 1HB GLU 10 -10.876 -0.919 6.369 930 1HG GLU 10 2HG GLU 10 -11.067 1.033 4.495 931 2HG GLU 10 1HG GLU 10 -12.568 0.148 4.232 932 H ALA 11 H ALA 11 -8.797 1.164 4.266 933 HA ALA 11 HA ALA 11 -6.664 0.716 6.246 934 1HB ALA 11 1HB ALA 11 -5.211 1.814 4.927 935 2HB ALA 11 2HB ALA 11 -6.405 3.011 4.426 936 3HB ALA 11 3HB ALA 11 -6.366 1.426 3.654 937 H ALA 12 H ALA 12 -6.414 2.055 7.939 938 HA ALA 12 HA ALA 12 -7.024 3.508 9.587 939 1HB ALA 12 1HB ALA 12 -7.761 5.581 7.604 940 2HB ALA 12 2HB ALA 12 -6.122 4.932 7.535 941 3HB ALA 12 3HB ALA 12 -6.712 5.682 9.018 942 H PHE 13 H PHE 13 -8.794 5.339 10.101 943 HA PHE 13 HA PHE 13 -11.421 4.287 9.296 944 1HB PHE 13 2HB PHE 13 -10.479 3.708 11.704 945 2HB PHE 13 1HB PHE 13 -11.035 5.339 12.068 946 HD1 PHE 13 1HD PHE 13 -13.286 5.765 12.501 947 HD2 PHE 13 2HD PHE 13 -12.146 2.059 10.748 948 HE1 PHE 13 1HE PHE 13 -15.575 4.917 12.814 949 HE2 PHE 13 2HE PHE 13 -14.432 1.204 11.057 950 HZ PHE 13 HZ PHE 13 -16.151 2.634 12.092 951 H VAL 14 H VAL 14 -10.949 6.177 7.790 952 HA VAL 14 HA VAL 14 -10.909 8.833 8.642 953 HB VAL 14 HB VAL 14 -12.254 7.845 6.126 954 1HG1 VAL 14 1HG1 VAL 14 -11.460 10.038 5.241 955 2HG1 VAL 14 2HG1 VAL 14 -10.977 10.467 6.881 956 3HG1 VAL 14 3HG1 VAL 14 -12.675 10.165 6.513 957 1HG2 VAL 14 1HG2 VAL 14 -9.508 8.735 5.816 958 2HG2 VAL 14 2HG2 VAL 14 -10.294 7.269 5.231 959 3HG2 VAL 14 3HG2 VAL 14 -9.631 7.322 6.862 960 H ALA 15 H ALA 15 -12.603 10.448 8.581 961 HA ALA 15 HA ALA 15 -14.853 9.782 10.106 962 1HB ALA 15 1HB ALA 15 -15.503 12.018 9.908 963 2HB ALA 15 2HB ALA 15 -14.770 12.187 8.313 964 3HB ALA 15 3HB ALA 15 -13.748 12.072 9.746 965 H ASP 16 H ASP 16 -17.133 9.937 9.493 966 HA ASP 16 HA ASP 16 -17.785 8.254 7.359 967 1HB ASP 16 2HB ASP 16 -20.118 8.879 7.800 968 2HB ASP 16 1HB ASP 16 -19.247 8.567 9.298 969 H ASP 17 H ASP 17 -17.959 11.787 7.612 970 HA ASP 17 HA ASP 17 -19.175 12.337 5.181 971 1HB ASP 17 2HB ASP 17 -17.934 14.559 5.353 972 2HB ASP 17 1HB ASP 17 -18.971 14.120 6.706 973 H VAL 18 H VAL 18 -15.670 12.250 5.858 974 HA VAL 18 HA VAL 18 -14.990 12.601 3.091 975 HB VAL 18 HB VAL 18 -13.177 11.677 5.317 976 1HG1 VAL 18 1HG1 VAL 18 -11.657 11.579 3.701 977 2HG1 VAL 18 2HG1 VAL 18 -11.815 13.325 3.514 978 3HG1 VAL 18 3HG1 VAL 18 -12.786 12.239 2.519 979 1HG2 VAL 18 1HG2 VAL 18 -13.917 13.645 6.222 980 2HG2 VAL 18 2HG2 VAL 18 -14.257 14.369 4.650 981 3HG2 VAL 18 3HG2 VAL 18 -12.593 14.240 5.220 982 H SER 19 H SER 19 -15.366 9.871 5.242 983 HA SER 19 HA SER 19 -13.990 7.957 3.709 984 1HB SER 19 2HB SER 19 -14.554 7.508 6.020 985 2HB SER 19 1HB SER 19 -16.276 7.618 5.658 986 HG SER 19 HG SER 19 -16.239 5.645 4.923 987 H ASN 20 H ASN 20 -17.382 8.987 3.679 988 HA ASN 20 HA ASN 20 -18.187 7.012 1.795 989 1HB ASN 20 2HB ASN 20 -20.300 8.093 1.750 990 2HB ASN 20 1HB ASN 20 -19.709 8.253 3.399 991 1HD2 ASN 20 1HD2 ASN 20 -19.495 10.233 4.256 992 2HD2 ASN 20 2HD2 ASN 20 -19.778 11.709 3.403 993 H ILE 21 H ILE 21 -17.420 10.469 1.459 994 HA ILE 21 HA ILE 21 -17.930 10.780 -1.252 995 HB ILE 21 HB ILE 21 -15.808 12.098 0.468 996 1HG1 ILE 21 2HG1 ILE 21 -18.551 13.040 -0.380 997 2HG1 ILE 21 1HG1 ILE 21 -18.124 12.432 1.217 998 1HG2 ILE 21 1HG2 ILE 21 -15.831 13.929 -1.208 999 2HG2 ILE 21 2HG2 ILE 21 -16.785 12.895 -2.270 1000 3HG2 ILE 21 3HG2 ILE 21 -15.147 12.423 -1.817 1001 1HD1 ILE 21 1HD1 ILE 21 -17.613 14.490 1.819 1002 2HD1 ILE 21 2HD1 ILE 21 -17.923 15.073 0.184 1003 3HD1 ILE 21 3HD1 ILE 21 -16.316 14.496 0.625 1004 H ILE 22 H ILE 22 -14.801 9.966 0.271 1005 HA ILE 22 HA ILE 22 -13.383 9.691 -2.115 1006 HB ILE 22 HB ILE 22 -11.698 8.489 -0.853 1007 1HG1 ILE 22 2HG1 ILE 22 -13.815 8.328 1.307 1008 2HG1 ILE 22 1HG1 ILE 22 -13.053 6.982 0.469 1009 1HG2 ILE 22 1HG2 ILE 22 -11.056 10.424 0.024 1010 2HG2 ILE 22 2HG2 ILE 22 -12.317 10.355 1.255 1011 3HG2 ILE 22 3HG2 ILE 22 -12.663 11.055 -0.323 1012 1HD1 ILE 22 1HD1 ILE 22 -12.207 7.291 2.749 1013 2HD1 ILE 22 2HD1 ILE 22 -11.626 8.895 2.299 1014 3HD1 ILE 22 3HD1 ILE 22 -10.944 7.462 1.529 1015 H LYS 23 H LYS 23 -15.000 7.153 -0.179 1016 HA LYS 23 HA LYS 23 -14.259 5.076 -1.892 1017 1HB LYS 23 2HB LYS 23 -16.280 5.383 0.265 1018 2HB LYS 23 1HB LYS 23 -16.354 3.966 -0.772 1019 1HG LYS 23 2HG LYS 23 -14.097 3.372 -0.181 1020 2HG LYS 23 1HG LYS 23 -13.931 4.850 0.769 1021 1HD LYS 23 2HD LYS 23 -15.033 3.993 2.524 1022 2HD LYS 23 1HD LYS 23 -16.257 3.231 1.508 1023 1HE LYS 23 2HE LYS 23 -15.165 1.266 1.432 1024 2HE LYS 23 1HE LYS 23 -13.579 2.031 1.378 1025 1HZ LYS 23 1HZ LYS 23 -15.082 2.196 3.880 1026 2HZ LYS 23 2HZ LYS 23 -13.414 2.069 3.629 1027 3HZ LYS 23 3HZ LYS 23 -14.398 0.702 3.476 1028 H GLU 24 H GLU 24 -17.322 6.858 -1.642 1029 HA GLU 24 HA GLU 24 -18.667 5.581 -3.726 1030 1HB GLU 24 2HB GLU 24 -18.928 8.138 -2.292 1031 2HB GLU 24 1HB GLU 24 -19.569 8.180 -3.917 1032 1HG GLU 24 2HG GLU 24 -20.879 6.112 -3.333 1033 2HG GLU 24 1HG GLU 24 -20.378 6.370 -1.663 1034 H SER 25 H SER 25 -16.269 8.141 -3.778 1035 HA SER 25 HA SER 25 -16.584 8.816 -6.514 1036 1HB SER 25 2HB SER 25 -14.307 9.219 -4.565 1037 2HB SER 25 1HB SER 25 -14.262 9.812 -6.225 1038 HG SER 25 HG SER 25 -15.030 11.409 -4.795 1039 H ILE 26 H ILE 26 -14.230 6.646 -4.846 1040 HA ILE 26 HA ILE 26 -12.860 5.893 -7.194 1041 HB ILE 26 HB ILE 26 -13.164 4.603 -4.499 1042 1HG1 ILE 26 2HG1 ILE 26 -10.551 4.737 -4.917 1043 2HG1 ILE 26 1HG1 ILE 26 -11.048 5.934 -6.105 1044 1HG2 ILE 26 1HG2 ILE 26 -13.045 2.559 -5.509 1045 2HG2 ILE 26 2HG2 ILE 26 -11.326 2.953 -5.503 1046 3HG2 ILE 26 3HG2 ILE 26 -12.281 3.200 -6.964 1047 1HD1 ILE 26 1HD1 ILE 26 -11.887 6.015 -3.232 1048 2HD1 ILE 26 2HD1 ILE 26 -12.066 7.274 -4.452 1049 3HD1 ILE 26 3HD1 ILE 26 -10.462 6.838 -3.864 1050 H ASP 27 H ASP 27 -15.723 4.585 -5.624 1051 HA ASP 27 HA ASP 27 -16.165 2.321 -7.134 1052 1HB ASP 27 2HB ASP 27 -17.553 2.818 -5.237 1053 2HB ASP 27 1HB ASP 27 -18.073 4.336 -5.937 1054 H ALA 28 H ALA 28 -16.815 5.688 -7.889 1055 HA ALA 28 HA ALA 28 -17.977 5.038 -10.481 1056 1HB ALA 28 1HB ALA 28 -18.768 6.888 -8.890 1057 2HB ALA 28 2HB ALA 28 -18.619 7.287 -10.602 1058 3HB ALA 28 3HB ALA 28 -17.371 7.798 -9.465 1059 H VAL 29 H VAL 29 -15.088 6.572 -9.168 1060 HA VAL 29 HA VAL 29 -13.996 7.322 -11.670 1061 HB VAL 29 HB VAL 29 -13.361 7.613 -8.840 1062 1HG1 VAL 29 1HG1 VAL 29 -11.092 6.954 -10.602 1063 2HG1 VAL 29 2HG1 VAL 29 -11.288 6.783 -8.860 1064 3HG1 VAL 29 3HG1 VAL 29 -10.938 8.347 -9.544 1065 1HG2 VAL 29 1HG2 VAL 29 -13.393 9.745 -9.390 1066 2HG2 VAL 29 2HG2 VAL 29 -13.921 9.214 -10.986 1067 3HG2 VAL 29 3HG2 VAL 29 -12.216 9.512 -10.673 1068 H LEU 30 H LEU 30 -14.295 4.315 -10.208 1069 HA LEU 30 HA LEU 30 -12.073 3.285 -11.828 1070 1HB LEU 30 2HB LEU 30 -13.079 2.367 -9.151 1071 2HB LEU 30 1HB LEU 30 -12.127 1.325 -10.189 1072 HG LEU 30 HG LEU 30 -10.768 2.473 -8.451 1073 1HD1 LEU 30 1HD1 LEU 30 -8.971 2.887 -9.830 1074 2HD1 LEU 30 2HD1 LEU 30 -9.979 3.589 -11.095 1075 3HD1 LEU 30 3HD1 LEU 30 -9.984 1.845 -10.830 1076 1HD2 LEU 30 1HD2 LEU 30 -10.922 5.005 -9.973 1077 2HD2 LEU 30 2HD2 LEU 30 -10.571 4.723 -8.269 1078 3HD2 LEU 30 3HD2 LEU 30 -12.227 4.652 -8.850 1079 H GLN 31 H GLN 31 -15.452 2.847 -10.821 1080 HA GLN 31 HA GLN 31 -15.706 0.517 -12.553 1081 1HB GLN 31 2HB GLN 31 -16.882 0.809 -10.288 1082 2HB GLN 31 1HB GLN 31 -17.971 1.879 -11.149 1083 1HG GLN 31 2HG GLN 31 -18.662 0.150 -12.603 1084 2HG GLN 31 1HG GLN 31 -17.448 -0.935 -11.946 1085 1HE2 GLN 31 1HE2 GLN 31 -18.361 -2.452 -10.764 1086 2HE2 GLN 31 2HE2 GLN 31 -19.669 -2.230 -9.656 1087 H ASN 32 H ASN 32 -16.013 3.910 -12.875 1088 HA ASN 32 HA ASN 32 -18.128 4.384 -14.515 1089 1HB ASN 32 2HB ASN 32 -16.550 6.027 -15.741 1090 2HB ASN 32 1HB ASN 32 -16.834 6.262 -14.022 1091 1HD2 ASN 32 1HD2 ASN 32 -14.780 7.522 -14.477 1092 2HD2 ASN 32 2HD2 ASN 32 -13.292 6.680 -14.232 1093 H GLN 33 H GLN 33 -15.156 2.737 -15.420 1094 HA GLN 33 HA GLN 33 -16.458 1.762 -17.826 1095 1HB GLN 33 2HB GLN 33 -14.936 3.989 -18.106 1096 2HB GLN 33 1HB GLN 33 -13.717 2.743 -18.331 1097 1HG GLN 33 2HG GLN 33 -14.354 2.772 -20.463 1098 2HG GLN 33 1HG GLN 33 -15.740 1.832 -19.912 1099 1HE2 GLN 33 1HE2 GLN 33 -17.712 2.936 -19.488 1100 2HE2 GLN 33 2HE2 GLN 33 -18.066 4.434 -20.271 1101 H GLN 34 H GLN 34 -14.280 0.585 -19.054 1102 HA GLN 34 HA GLN 34 -13.790 -1.619 -17.263 1103 1HB GLN 34 2HB GLN 34 -14.155 -1.493 -19.932 1104 2HB GLN 34 1HB GLN 34 -12.398 -1.504 -19.877 1105 1HG GLN 34 2HG GLN 34 -13.041 -3.515 -18.143 1106 2HG GLN 34 1HG GLN 34 -14.310 -3.645 -19.360 1107 1HE2 GLN 34 1HE2 GLN 34 -13.847 -4.546 -21.270 1108 2HE2 GLN 34 2HE2 GLN 34 -12.273 -5.058 -21.767 1109 H TYR 35 H TYR 35 -11.482 -2.581 -17.312 1110 HA TYR 35 HA TYR 35 -9.770 -0.761 -16.004 1111 1HB TYR 35 2HB TYR 35 -9.819 -3.209 -15.585 1112 2HB TYR 35 1HB TYR 35 -9.079 -3.461 -17.162 1113 HD1 TYR 35 1HD TYR 35 -6.774 -2.388 -17.562 1114 HD2 TYR 35 2HD TYR 35 -8.488 -2.874 -13.698 1115 HE1 TYR 35 1HE TYR 35 -4.540 -2.181 -16.549 1116 HE2 TYR 35 2HE TYR 35 -6.261 -2.666 -12.676 1117 HH TYR 35 HH TYR 35 -3.577 -1.519 -14.337 1118 H SER 36 H SER 36 -8.739 0.904 -17.026 1119 HA SER 36 HA SER 36 -7.492 0.249 -19.638 1120 1HB SER 36 2HB SER 36 -9.065 2.595 -18.744 1121 2HB SER 36 1HB SER 36 -7.643 2.948 -19.726 1122 HG SER 36 HG SER 36 -8.473 1.547 -21.313 1123 H GLU 37 H GLU 37 -5.320 0.271 -19.625 1124 HA GLU 37 HA GLU 37 -3.767 0.904 -17.382 1125 1HB GLU 37 2HB GLU 37 -3.015 -0.533 -19.264 1126 2HB GLU 37 1HB GLU 37 -2.880 0.896 -20.279 1127 1HG GLU 37 2HG GLU 37 -0.770 1.014 -19.620 1128 2HG GLU 37 1HG GLU 37 -1.387 1.547 -18.057 1129 H ALA 38 H ALA 38 -4.754 2.907 -20.107 1130 HA ALA 38 HA ALA 38 -3.075 5.119 -19.419 1131 1HB ALA 38 1HB ALA 38 -4.215 4.646 -21.673 1132 2HB ALA 38 2HB ALA 38 -4.184 6.314 -21.102 1133 3HB ALA 38 3HB ALA 38 -5.654 5.353 -20.938 1134 H LYS 39 H LYS 39 -5.856 3.797 -18.028 1135 HA LYS 39 HA LYS 39 -6.577 6.299 -16.711 1136 1HB LYS 39 2HB LYS 39 -8.081 4.047 -17.788 1137 2HB LYS 39 1HB LYS 39 -8.555 4.457 -16.153 1138 1HG LYS 39 2HG LYS 39 -9.927 5.600 -17.773 1139 2HG LYS 39 1HG LYS 39 -8.976 6.753 -16.839 1140 1HD LYS 39 2HD LYS 39 -8.663 7.562 -18.957 1141 2HD LYS 39 1HD LYS 39 -7.286 6.467 -18.821 1142 1HE LYS 39 2HE LYS 39 -8.204 4.915 -20.243 1143 2HE LYS 39 1HE LYS 39 -9.858 5.412 -19.885 1144 1HZ LYS 39 1HZ LYS 39 -8.710 6.018 -22.147 1145 2HZ LYS 39 2HZ LYS 39 -8.112 7.322 -21.252 1146 3HZ LYS 39 3HZ LYS 39 -9.781 7.092 -21.397 1147 H VAL 40 H VAL 40 -5.118 3.234 -16.194 1148 HA VAL 40 HA VAL 40 -5.874 2.518 -13.660 1149 HB VAL 40 HB VAL 40 -3.598 1.566 -13.344 1150 1HG1 VAL 40 1HG1 VAL 40 -5.000 0.064 -14.334 1151 2HG1 VAL 40 2HG1 VAL 40 -3.708 0.170 -15.529 1152 3HG1 VAL 40 3HG1 VAL 40 -5.213 1.050 -15.777 1153 1HG2 VAL 40 1HG2 VAL 40 -1.863 2.477 -14.368 1154 2HG2 VAL 40 2HG2 VAL 40 -2.923 3.494 -15.343 1155 3HG2 VAL 40 3HG2 VAL 40 -2.495 1.877 -15.901 1156 H SER 41 H SER 41 -3.935 5.241 -14.603 1157 HA SER 41 HA SER 41 -3.460 5.879 -11.756 1158 1HB SER 41 2HB SER 41 -1.599 7.251 -12.454 1159 2HB SER 41 1HB SER 41 -1.425 5.674 -13.224 1160 HG SER 41 HG SER 41 -1.294 6.799 -14.991 1161 H GLN 42 H GLN 42 -4.664 7.082 -14.824 1162 HA GLN 42 HA GLN 42 -5.251 9.711 -13.974 1163 1HB GLN 42 2HB GLN 42 -6.708 8.130 -16.096 1164 2HB GLN 42 1HB GLN 42 -6.655 9.873 -15.936 1165 1HG GLN 42 2HG GLN 42 -4.246 8.163 -16.482 1166 2HG GLN 42 1HG GLN 42 -5.204 8.957 -17.730 1167 1HE2 GLN 42 1HE2 GLN 42 -2.671 9.269 -15.519 1168 2HE2 GLN 42 2HE2 GLN 42 -2.375 10.959 -15.718 1169 H TRP 43 H TRP 43 -6.894 6.658 -13.709 1170 HA TRP 43 HA TRP 43 -9.489 7.271 -13.076 1171 1HB TRP 43 2HB TRP 43 -7.522 5.241 -12.036 1172 2HB TRP 43 1HB TRP 43 -9.085 5.378 -11.255 1173 HD1 TRP 43 HD TRP 43 -10.394 5.876 -14.403 1174 HE1 TRP 43 1HE TRP 43 -10.943 3.737 -15.649 1175 HE3 TRP 43 3HE TRP 43 -7.472 2.628 -11.764 1176 HZ2 TRP 43 2HZ TRP 43 -10.247 1.028 -15.575 1177 HZ3 TRP 43 3HZ TRP 43 -7.464 0.261 -12.431 1178 HH2 TRP 43 HH TRP 43 -8.823 -0.526 -14.299 1179 H THR 44 H THR 44 -6.914 6.813 -10.698 1180 HA THR 44 HA THR 44 -8.249 7.879 -8.516 1181 HB THR 44 HB THR 44 -6.099 6.484 -8.625 1182 HG1 THR 44 1HG THR 44 -6.456 8.638 -6.831 1183 1HG2 THR 44 1HG2 THR 44 -4.129 7.363 -9.063 1184 2HG2 THR 44 2HG2 THR 44 -4.460 8.797 -8.091 1185 3HG2 THR 44 3HG2 THR 44 -5.002 8.723 -9.768 1186 H SER 45 H SER 45 -6.523 9.502 -11.063 1187 HA SER 45 HA SER 45 -6.226 11.998 -9.723 1188 1HB SER 45 2HB SER 45 -5.416 12.835 -11.726 1189 2HB SER 45 1HB SER 45 -5.126 11.115 -11.959 1190 HG SER 45 HG SER 45 -6.797 12.803 -13.303 1191 H SER 46 H SER 46 -8.703 10.446 -11.620 1192 HA SER 46 HA SER 46 -10.445 12.702 -11.751 1193 1HB SER 46 2HB SER 46 -10.546 9.826 -12.501 1194 2HB SER 46 1HB SER 46 -12.090 10.611 -12.206 1195 HG SER 46 HG SER 46 -11.537 12.163 -13.766 1196 H CYS 47 H CYS 47 -9.866 10.037 -9.563 1197 HA CYS 47 HA CYS 47 -12.176 10.293 -7.933 1198 1HB CYS 47 2HB CYS 47 -10.936 8.313 -7.552 1199 2HB CYS 47 1HB CYS 47 -9.409 9.155 -7.547 1200 HG CYS 47 HG CYS 47 -9.714 8.613 -5.121 1201 H LEU 48 H LEU 48 -8.975 11.709 -7.935 1202 HA LEU 48 HA LEU 48 -9.245 13.153 -5.550 1203 1HB LEU 48 2HB LEU 48 -7.354 13.036 -7.797 1204 2HB LEU 48 1HB LEU 48 -7.399 14.563 -6.949 1205 HG LEU 48 HG LEU 48 -6.558 13.679 -4.992 1206 1HD1 LEU 48 1HD1 LEU 48 -7.717 11.067 -5.909 1207 2HD1 LEU 48 2HD1 LEU 48 -8.082 11.990 -4.455 1208 3HD1 LEU 48 3HD1 LEU 48 -6.542 11.146 -4.596 1209 1HD2 LEU 48 1HD2 LEU 48 -5.409 12.110 -7.283 1210 2HD2 LEU 48 2HD2 LEU 48 -4.750 12.012 -5.650 1211 3HD2 LEU 48 3HD2 LEU 48 -4.763 13.555 -6.505 1212 H GLU 49 H GLU 49 -10.083 13.890 -8.886 1213 HA GLU 49 HA GLU 49 -10.757 16.605 -8.189 1214 1HB GLU 49 2HB GLU 49 -10.119 15.946 -10.537 1215 2HB GLU 49 1HB GLU 49 -11.690 15.154 -10.652 1216 1HG GLU 49 2HG GLU 49 -12.698 17.377 -9.951 1217 2HG GLU 49 1HG GLU 49 -11.116 18.073 -10.261 1218 H HIS 50 H HIS 50 -12.370 13.535 -8.605 1219 HA HIS 50 HA HIS 50 -14.989 14.636 -8.139 1220 1HB HIS 50 2HB HIS 50 -13.924 11.807 -8.316 1221 2HB HIS 50 1HB HIS 50 -15.612 12.164 -7.974 1222 HD1 HIS 50 1HD HIS 50 -16.841 11.641 -10.064 1223 HD2 HIS 50 2HD HIS 50 -13.311 13.706 -10.809 1224 HE1 HIS 50 1HE HIS 50 -16.828 12.078 -12.540 1225 HE2 HIS 50 2HE HIS 50 -14.641 13.248 -12.981 1226 H CYS 51 H CYS 51 -12.418 14.246 -6.093 1227 HA CYS 51 HA CYS 51 -14.049 13.405 -3.811 1228 1HB CYS 51 2HB CYS 51 -11.766 12.345 -4.092 1229 2HB CYS 51 1HB CYS 51 -11.045 13.941 -3.911 1230 HG CYS 51 HG CYS 51 -12.604 13.610 -1.480 1231 H ILE 52 H ILE 52 -11.939 15.906 -5.036 1232 HA ILE 52 HA ILE 52 -12.326 17.832 -3.011 1233 HB ILE 52 HB ILE 52 -10.466 18.067 -4.497 1234 1HG1 ILE 52 2HG1 ILE 52 -12.474 20.197 -4.302 1235 2HG1 ILE 52 1HG1 ILE 52 -10.751 20.250 -4.010 1236 1HG2 ILE 52 1HG2 ILE 52 -10.587 18.309 -6.843 1237 2HG2 ILE 52 2HG2 ILE 52 -12.336 18.510 -6.806 1238 3HG2 ILE 52 3HG2 ILE 52 -11.623 16.956 -6.436 1239 1HD1 ILE 52 1HD1 ILE 52 -12.071 20.410 -6.672 1240 2HD1 ILE 52 2HD1 ILE 52 -10.346 20.556 -6.346 1241 3HD1 ILE 52 3HD1 ILE 52 -11.469 21.776 -5.739 1242 H LYS 53 H LYS 53 -13.876 17.404 -6.186 1243 HA LYS 53 HA LYS 53 -15.567 19.598 -6.095 1244 1HB LYS 53 2HB LYS 53 -16.001 16.917 -7.414 1245 2HB LYS 53 1HB LYS 53 -16.900 18.381 -7.785 1246 1HG LYS 53 2HG LYS 53 -13.921 18.306 -7.988 1247 2HG LYS 53 1HG LYS 53 -14.942 17.746 -9.312 1248 1HD LYS 53 2HD LYS 53 -14.750 19.893 -9.935 1249 2HD LYS 53 1HD LYS 53 -16.073 20.110 -8.796 1250 1HE LYS 53 2HE LYS 53 -14.697 21.705 -7.974 1251 2HE LYS 53 1HE LYS 53 -13.994 20.333 -7.127 1252 1HZ LYS 53 1HZ LYS 53 -13.028 21.324 -9.751 1253 2HZ LYS 53 2HZ LYS 53 -12.286 20.174 -8.758 1254 3HZ LYS 53 3HZ LYS 53 -12.359 21.791 -8.269 1255 H ARG 54 H ARG 54 -15.907 16.426 -4.687 1256 HA ARG 54 HA ARG 54 -18.639 16.824 -3.876 1257 1HB ARG 54 2HB ARG 54 -16.768 14.654 -3.908 1258 2HB ARG 54 1HB ARG 54 -17.399 14.823 -2.276 1259 1HG ARG 54 2HG ARG 54 -19.182 14.697 -4.684 1260 2HG ARG 54 1HG ARG 54 -18.643 13.259 -3.817 1261 1HD ARG 54 2HD ARG 54 -19.570 14.336 -1.725 1262 2HD ARG 54 1HD ARG 54 -20.317 15.532 -2.779 1263 HE ARG 54 HE ARG 54 -21.928 14.003 -3.263 1264 1HH1 ARG 54 1HH1 ARG 54 -19.113 12.261 -2.134 1265 2HH1 ARG 54 2HH1 ARG 54 -19.905 10.722 -2.170 1266 1HH2 ARG 54 1HH2 ARG 54 -22.959 11.978 -3.310 1267 2HH2 ARG 54 2HH2 ARG 54 -22.083 10.561 -2.837 1268 H LEU 55 H LEU 55 -15.439 17.257 -2.519 1269 HA LEU 55 HA LEU 55 -16.276 17.709 0.158 1270 1HB LEU 55 2HB LEU 55 -13.767 18.292 -1.379 1271 2HB LEU 55 1HB LEU 55 -13.964 18.839 0.278 1272 HG LEU 55 HG LEU 55 -14.115 15.969 -0.635 1273 1HD1 LEU 55 1HD1 LEU 55 -12.025 16.831 1.231 1274 2HD1 LEU 55 2HD1 LEU 55 -11.856 17.428 -0.420 1275 3HD1 LEU 55 3HD1 LEU 55 -11.954 15.694 -0.116 1276 1HD2 LEU 55 1HD2 LEU 55 -14.009 15.570 1.847 1277 2HD2 LEU 55 2HD2 LEU 55 -15.527 16.212 1.221 1278 3HD2 LEU 55 3HD2 LEU 55 -14.391 17.280 2.043 1279 H THR 56 H THR 56 -15.950 19.719 -2.664 1280 HA THR 56 HA THR 56 -16.129 22.213 -1.299 1281 HB THR 56 HB THR 56 -16.293 23.203 -3.437 1282 HG1 THR 56 1HG THR 56 -17.105 20.692 -4.475 1283 1HG2 THR 56 1HG2 THR 56 -14.947 20.940 -4.626 1284 2HG2 THR 56 2HG2 THR 56 -14.342 21.298 -3.008 1285 3HG2 THR 56 3HG2 THR 56 -14.337 22.550 -4.250 1286 H ALA 57 H ALA 57 -18.403 19.877 -2.554 1287 HA ALA 57 HA ALA 57 -20.724 21.524 -2.369 1288 1HB ALA 57 1HB ALA 57 -20.340 19.287 -3.669 1289 2HB ALA 57 2HB ALA 57 -21.927 19.650 -2.993 1290 3HB ALA 57 3HB ALA 57 -20.842 18.544 -2.152 1291 H LEU 58 H LEU 58 -19.151 19.138 -0.276 1292 HA LEU 58 HA LEU 58 -21.099 19.350 1.809 1293 1HB LEU 58 2HB LEU 58 -18.615 17.883 1.293 1294 2HB LEU 58 1HB LEU 58 -18.839 18.312 2.975 1295 HG LEU 58 HG LEU 58 -21.255 17.289 2.536 1296 1HD1 LEU 58 1HD1 LEU 58 -20.224 16.849 0.090 1297 2HD1 LEU 58 2HD1 LEU 58 -21.468 15.840 0.825 1298 3HD1 LEU 58 3HD1 LEU 58 -19.777 15.344 0.891 1299 1HD2 LEU 58 1HD2 LEU 58 -20.574 15.601 3.872 1300 2HD2 LEU 58 2HD2 LEU 58 -19.098 16.561 3.967 1301 3HD2 LEU 58 3HD2 LEU 58 -19.195 15.203 2.848 1302 H ASN 59 H ASN 59 -18.184 21.024 0.938 1303 HA ASN 59 HA ASN 59 -16.929 22.643 1.928 1304 1HB ASN 59 2HB ASN 59 -18.271 24.554 2.769 1305 2HB ASN 59 1HB ASN 59 -18.829 23.943 1.216 1306 1HD2 ASN 59 1HD2 ASN 59 -19.622 24.564 4.467 1307 2HD2 ASN 59 2HD2 ASN 59 -21.249 23.982 4.425 1308 H LYS 60 H LYS 60 -15.990 21.097 3.467 1309 HA LYS 60 HA LYS 60 -15.944 22.149 6.066 1310 1HB LYS 60 2HB LYS 60 -18.186 20.851 5.971 1311 2HB LYS 60 1HB LYS 60 -17.175 19.415 6.072 1312 1HG LYS 60 2HG LYS 60 -16.563 19.823 8.230 1313 2HG LYS 60 1HG LYS 60 -16.735 21.572 8.064 1314 1HD LYS 60 2HD LYS 60 -19.090 19.699 8.017 1315 2HD LYS 60 1HD LYS 60 -18.456 20.388 9.512 1316 1HE LYS 60 2HE LYS 60 -19.049 22.229 7.254 1317 2HE LYS 60 1HE LYS 60 -20.405 21.555 8.156 1318 1HZ LYS 60 1HZ LYS 60 -19.748 23.644 9.111 1319 2HZ LYS 60 2HZ LYS 60 -18.149 23.123 9.283 1320 3HZ LYS 60 3HZ LYS 60 -19.375 22.404 10.200 1321 HA PRO 61 HA PRO 61 -14.412 22.693 6.980 1322 1HB PRO 61 2HB PRO 61 -11.789 23.260 7.269 1323 2HB PRO 61 1HB PRO 61 -12.686 22.253 8.402 1324 1HG PRO 61 2HG PRO 61 -10.655 21.488 6.425 1325 2HG PRO 61 1HG PRO 61 -11.198 20.625 7.869 1326 1HD PRO 61 2HD PRO 61 -11.936 20.149 5.144 1327 2HD PRO 61 1HD PRO 61 -12.492 19.293 6.591 1328 H PHE 62 H PHE 62 -11.334 22.935 5.251 1329 HA PHE 62 HA PHE 62 -12.601 24.378 3.059 1330 1HB PHE 62 2HB PHE 62 -10.624 25.566 4.996 1331 2HB PHE 62 1HB PHE 62 -10.809 26.199 3.364 1332 HD1 PHE 62 1HD PHE 62 -12.690 27.518 2.755 1333 HD2 PHE 62 2HD PHE 62 -12.488 25.701 6.599 1334 HE1 PHE 62 1HE PHE 62 -14.582 28.901 3.505 1335 HE2 PHE 62 2HE PHE 62 -14.381 27.080 7.354 1336 HZ PHE 62 HZ PHE 62 -15.431 28.682 5.806 1337 H LYS 63 H LYS 63 -9.275 24.099 4.277 1338 HA LYS 63 HA LYS 63 -8.224 23.517 1.697 1339 1HB LYS 63 2HB LYS 63 -7.192 24.099 4.329 1340 2HB LYS 63 1HB LYS 63 -6.320 22.743 3.629 1341 1HG LYS 63 2HG LYS 63 -6.771 25.210 2.011 1342 2HG LYS 63 1HG LYS 63 -5.492 25.167 3.228 1343 1HD LYS 63 2HD LYS 63 -4.247 23.656 2.062 1344 2HD LYS 63 1HD LYS 63 -5.661 22.880 1.347 1345 1HE LYS 63 2HE LYS 63 -5.956 24.841 -0.121 1346 2HE LYS 63 1HE LYS 63 -4.491 25.547 0.561 1347 1HZ LYS 63 1HZ LYS 63 -3.559 23.190 -0.186 1348 2HZ LYS 63 2HZ LYS 63 -3.576 24.532 -1.216 1349 3HZ LYS 63 3HZ LYS 63 -4.790 23.360 -1.336 1350 H TYR 64 H TYR 64 -9.233 21.683 0.912 1351 HA TYR 64 HA TYR 64 -8.902 19.199 2.421 1352 1HB TYR 64 2HB TYR 64 -10.300 19.201 -0.207 1353 2HB TYR 64 1HB TYR 64 -10.683 18.322 1.266 1354 HD1 TYR 64 1HD TYR 64 -11.546 21.072 -0.810 1355 HD2 TYR 64 2HD TYR 64 -11.678 19.706 3.216 1356 HE1 TYR 64 1HE TYR 64 -13.325 22.698 -0.324 1357 HE2 TYR 64 2HE TYR 64 -13.460 21.325 3.714 1358 HH TYR 64 HH TYR 64 -15.080 22.677 2.674 1359 H VAL 65 H VAL 65 -7.082 18.121 2.055 1360 HA VAL 65 HA VAL 65 -5.920 18.222 -0.635 1361 HB VAL 65 HB VAL 65 -4.273 19.038 0.834 1362 1HG1 VAL 65 1HG1 VAL 65 -3.593 17.779 2.860 1363 2HG1 VAL 65 2HG1 VAL 65 -5.009 16.755 2.614 1364 3HG1 VAL 65 3HG1 VAL 65 -5.208 18.480 2.928 1365 1HG2 VAL 65 1HG2 VAL 65 -3.588 17.082 -0.693 1366 2HG2 VAL 65 2HG2 VAL 65 -3.494 16.151 0.803 1367 3HG2 VAL 65 3HG2 VAL 65 -2.482 17.580 0.588 1368 H VAL 66 H VAL 66 -7.029 16.607 -1.616 1369 HA VAL 66 HA VAL 66 -7.177 13.967 -0.385 1370 HB VAL 66 HB VAL 66 -8.173 14.790 -3.112 1371 1HG1 VAL 66 1HG1 VAL 66 -9.395 12.822 -3.127 1372 2HG1 VAL 66 2HG1 VAL 66 -9.278 12.617 -1.380 1373 3HG1 VAL 66 3HG1 VAL 66 -7.865 12.338 -2.398 1374 1HG2 VAL 66 1HG2 VAL 66 -9.962 14.626 -0.722 1375 2HG2 VAL 66 2HG2 VAL 66 -10.209 15.464 -2.252 1376 3HG2 VAL 66 3HG2 VAL 66 -9.081 16.115 -1.065 1377 H THR 67 H THR 67 -5.696 12.411 -0.823 1378 HA THR 67 HA THR 67 -4.290 12.543 -3.386 1379 HB THR 67 HB THR 67 -2.692 13.540 -1.967 1380 HG1 THR 67 1HG THR 67 -1.496 12.117 -3.009 1381 1HG2 THR 67 1HG2 THR 67 -2.280 11.551 0.041 1382 2HG2 THR 67 2HG2 THR 67 -3.939 12.148 0.096 1383 3HG2 THR 67 3HG2 THR 67 -2.592 13.277 0.218 1384 H CYS 68 H CYS 68 -3.271 10.574 -4.046 1385 HA CYS 68 HA CYS 68 -4.019 8.148 -2.641 1386 1HB CYS 68 2HB CYS 68 -5.968 8.776 -4.115 1387 2HB CYS 68 1HB CYS 68 -4.898 8.570 -5.495 1388 HG CYS 68 HG CYS 68 -4.915 6.069 -5.162 1389 H ILE 69 H ILE 69 -2.955 6.283 -3.429 1390 HA ILE 69 HA ILE 69 -0.779 6.748 -5.340 1391 HB ILE 69 HB ILE 69 -0.534 5.486 -2.609 1392 1HG1 ILE 69 2HG1 ILE 69 1.359 7.212 -2.477 1393 2HG1 ILE 69 1HG1 ILE 69 0.606 7.948 -3.888 1394 1HG2 ILE 69 1HG2 ILE 69 0.882 4.069 -3.664 1395 2HG2 ILE 69 2HG2 ILE 69 1.988 5.428 -3.461 1396 3HG2 ILE 69 3HG2 ILE 69 1.169 5.181 -5.003 1397 1HD1 ILE 69 1HD1 ILE 69 -0.024 8.353 -1.195 1398 2HD1 ILE 69 2HD1 ILE 69 -1.374 7.451 -1.884 1399 3HD1 ILE 69 3HD1 ILE 69 -0.872 8.978 -2.609 1400 H ILE 70 H ILE 70 -0.909 5.299 -6.927 1401 HA ILE 70 HA ILE 70 -2.564 2.937 -6.589 1402 HB ILE 70 HB ILE 70 -2.176 2.618 -9.035 1403 1HG1 ILE 70 2HG1 ILE 70 -0.979 5.377 -9.040 1404 2HG1 ILE 70 1HG1 ILE 70 0.046 3.953 -8.891 1405 1HG2 ILE 70 1HG2 ILE 70 -3.146 5.406 -8.520 1406 2HG2 ILE 70 2HG2 ILE 70 -4.037 4.002 -7.931 1407 3HG2 ILE 70 3HG2 ILE 70 -3.758 4.209 -9.661 1408 1HD1 ILE 70 1HD1 ILE 70 0.081 4.350 -11.153 1409 2HD1 ILE 70 2HD1 ILE 70 -1.605 4.864 -11.198 1410 3HD1 ILE 70 3HD1 ILE 70 -1.209 3.155 -11.018 1411 H MET 71 H MET 71 -1.919 0.835 -6.937 1412 HA MET 71 HA MET 71 0.984 0.346 -6.959 1413 1HB MET 71 2HB MET 71 -0.531 -0.107 -4.790 1414 2HB MET 71 1HB MET 71 -0.802 -1.625 -5.634 1415 1HG MET 71 2HG MET 71 1.316 -2.342 -5.321 1416 2HG MET 71 1HG MET 71 1.998 -0.720 -5.410 1417 1HE MET 71 1HE MET 71 3.584 -1.029 -3.848 1418 2HE MET 71 2HE MET 71 3.420 -1.249 -2.106 1419 3HE MET 71 3HE MET 71 3.049 0.313 -2.836 1420 H GLN 72 H GLN 72 1.101 -0.096 -9.139 1421 HA GLN 72 HA GLN 72 -0.729 -1.817 -10.482 1422 1HB GLN 72 2HB GLN 72 0.606 -0.032 -11.599 1423 2HB GLN 72 1HB GLN 72 2.051 -1.000 -11.339 1424 1HG GLN 72 2HG GLN 72 1.521 -2.487 -12.965 1425 2HG GLN 72 1HG GLN 72 -0.216 -2.298 -12.728 1426 1HE2 GLN 72 1HE2 GLN 72 2.482 -0.152 -13.582 1427 2HE2 GLN 72 2HE2 GLN 72 1.717 0.541 -14.967 1428 H LYS 73 H LYS 73 -0.724 -3.957 -10.712 1429 HA LYS 73 HA LYS 73 -0.186 -6.144 -10.417 1430 1HB LYS 73 2HB LYS 73 1.785 -5.054 -11.929 1431 2HB LYS 73 1HB LYS 73 2.728 -5.686 -10.587 1432 1HG LYS 73 2HG LYS 73 2.375 -7.832 -11.171 1433 2HG LYS 73 1HG LYS 73 0.726 -7.526 -11.717 1434 1HD LYS 73 2HD LYS 73 1.821 -6.296 -13.688 1435 2HD LYS 73 1HD LYS 73 3.307 -7.111 -13.196 1436 1HE LYS 73 2HE LYS 73 1.638 -9.207 -13.212 1437 2HE LYS 73 1HE LYS 73 0.850 -8.206 -14.431 1438 1HZ LYS 73 1HZ LYS 73 3.699 -9.049 -14.469 1439 2HZ LYS 73 2HZ LYS 73 2.936 -8.099 -15.643 1440 3HZ LYS 73 3HZ LYS 73 2.464 -9.708 -15.419 1441 H ASN 74 H ASN 74 1.945 -7.459 -9.258 1442 HA ASN 74 HA ASN 74 2.107 -6.348 -6.542 1443 1HB ASN 74 2HB ASN 74 1.822 -8.719 -5.694 1444 2HB ASN 74 1HB ASN 74 0.376 -7.978 -6.373 1445 1HD2 ASN 74 1HD2 ASN 74 -0.652 -8.988 -7.968 1446 2HD2 ASN 74 2HD2 ASN 74 -0.068 -10.383 -8.804 1447 H GLY 75 H GLY 75 4.109 -6.137 -8.469 1448 1HA GLY 75 2HA GLY 75 6.174 -7.852 -7.257 1449 2HA GLY 75 1HA GLY 75 6.083 -7.699 -9.004 1450 H ALA 76 H ALA 76 5.377 -4.983 -6.942 1451 HA ALA 76 HA ALA 76 8.045 -3.862 -7.432 1452 1HB ALA 76 1HB ALA 76 6.746 -2.968 -9.223 1453 2HB ALA 76 2HB ALA 76 6.969 -1.684 -8.035 1454 3HB ALA 76 3HB ALA 76 5.430 -2.539 -8.131 1455 H GLY 77 H GLY 77 8.817 -2.549 -5.819 1456 1HA GLY 77 2HA GLY 77 7.020 -2.177 -3.498 1457 2HA GLY 77 1HA GLY 77 8.734 -2.535 -3.350 1458 H LEU 78 H LEU 78 6.399 -0.112 -3.473 1459 HA LEU 78 HA LEU 78 8.496 1.930 -3.455 1460 1HB LEU 78 2HB LEU 78 7.406 1.788 -5.728 1461 2HB LEU 78 1HB LEU 78 5.912 2.294 -4.961 1462 HG LEU 78 HG LEU 78 8.289 4.012 -4.518 1463 1HD1 LEU 78 1HD1 LEU 78 7.236 3.370 -7.175 1464 2HD1 LEU 78 2HD1 LEU 78 8.759 4.122 -6.705 1465 3HD1 LEU 78 3HD1 LEU 78 7.292 5.095 -6.810 1466 1HD2 LEU 78 1HD2 LEU 78 5.354 4.216 -4.563 1467 2HD2 LEU 78 2HD2 LEU 78 6.224 5.616 -5.189 1468 3HD2 LEU 78 3HD2 LEU 78 6.537 5.043 -3.550 1469 H HIS 79 H HIS 79 8.141 3.616 -2.067 1470 HA HIS 79 HA HIS 79 5.546 3.826 -0.744 1471 1HB HIS 79 2HB HIS 79 8.151 3.195 0.624 1472 2HB HIS 79 1HB HIS 79 6.847 4.011 1.480 1473 HD1 HIS 79 1HD HIS 79 7.321 0.817 -0.539 1474 HD2 HIS 79 2HD HIS 79 5.127 2.295 2.664 1475 HE1 HIS 79 1HE HIS 79 6.015 -1.142 0.341 1476 HE2 HIS 79 2HE HIS 79 4.758 -0.243 2.331 1477 H THR 80 H THR 80 5.033 5.865 -0.081 1478 HA THR 80 HA THR 80 6.881 7.979 -0.898 1479 HB THR 80 HB THR 80 3.972 8.170 -0.091 1480 HG1 THR 80 1HG THR 80 4.014 7.072 -1.980 1481 1HG2 THR 80 1HG2 THR 80 5.957 10.176 -0.894 1482 2HG2 THR 80 2HG2 THR 80 4.470 10.350 0.038 1483 3HG2 THR 80 3HG2 THR 80 4.401 10.264 -1.722 1484 H ALA 81 H ALA 81 7.459 9.697 0.475 1485 HA ALA 81 HA ALA 81 6.907 9.254 3.341 1486 1HB ALA 81 1HB ALA 81 9.171 8.438 2.711 1487 2HB ALA 81 2HB ALA 81 9.189 9.730 3.910 1488 3HB ALA 81 3HB ALA 81 9.582 10.083 2.228 1489 H ALA 82 H ALA 82 6.678 11.074 4.618 1490 HA ALA 82 HA ALA 82 7.291 13.672 3.586 1491 1HB ALA 82 1HB ALA 82 5.169 14.601 3.376 1492 2HB ALA 82 2HB ALA 82 4.398 13.240 4.191 1493 3HB ALA 82 3HB ALA 82 5.049 13.041 2.563 1494 H SER 83 H SER 83 7.530 15.193 5.107 1495 HA SER 83 HA SER 83 6.891 14.426 7.879 1496 1HB SER 83 2HB SER 83 9.310 14.401 7.450 1497 2HB SER 83 1HB SER 83 9.235 16.063 6.876 1498 HG SER 83 HG SER 83 9.772 16.310 8.949 1499 H CYS 84 H CYS 84 5.381 15.673 8.742 1500 HA CYS 84 HA CYS 84 5.043 18.401 7.711 1501 1HB CYS 84 2HB CYS 84 3.044 16.864 9.327 1502 2HB CYS 84 1HB CYS 84 2.767 18.306 8.366 1503 HG CYS 84 HG CYS 84 2.604 15.479 7.362 1504 H TRP 85 H TRP 85 4.824 20.141 9.117 1505 HA TRP 85 HA TRP 85 6.286 19.906 11.570 1506 1HB TRP 85 2HB TRP 85 5.854 21.937 9.787 1507 2HB TRP 85 1HB TRP 85 4.763 22.390 11.091 1508 HD1 TRP 85 HD TRP 85 8.494 21.433 10.662 1509 HE1 TRP 85 1HE TRP 85 9.865 22.813 12.341 1510 HE3 TRP 85 3HE TRP 85 4.666 23.846 13.044 1511 HZ2 TRP 85 2HZ TRP 85 9.390 24.679 14.408 1512 HZ3 TRP 85 3HZ TRP 85 5.211 25.411 14.862 1513 HH2 TRP 85 HH TRP 85 7.524 25.818 15.529 1514 H TRP 86 H TRP 86 4.980 21.620 13.316 1515 HA TRP 86 HA TRP 86 2.835 19.883 14.219 1516 1HB TRP 86 2HB TRP 86 4.062 22.321 15.528 1517 2HB TRP 86 1HB TRP 86 2.911 21.222 16.284 1518 HD1 TRP 86 HD TRP 86 3.953 18.466 16.070 1519 HE1 TRP 86 1HE TRP 86 6.282 17.726 16.879 1520 HE3 TRP 86 3HE TRP 86 6.295 23.011 16.073 1521 HZ2 TRP 86 2HZ TRP 86 8.781 18.912 17.443 1522 HZ3 TRP 86 3HZ TRP 86 8.655 23.122 16.761 1523 HH2 TRP 86 HH TRP 86 9.871 21.114 17.431 1524 H ASP 87 H ASP 87 0.720 20.356 14.247 1525 HA ASP 87 HA ASP 87 -0.519 22.823 14.298 1526 1HB ASP 87 2HB ASP 87 0.690 22.639 11.851 1527 2HB ASP 87 1HB ASP 87 -0.894 21.970 11.494 1528 H SER 88 H SER 88 -2.014 21.757 15.545 1529 HA SER 88 HA SER 88 -3.223 19.303 14.890 1530 1HB SER 88 2HB SER 88 -5.034 20.196 16.546 1531 2HB SER 88 1HB SER 88 -3.408 19.865 17.141 1532 HG SER 88 HG SER 88 -4.627 22.054 17.490 1533 H THR 89 H THR 89 -3.752 22.434 13.608 1534 HA THR 89 HA THR 89 -6.506 22.050 12.900 1535 HB THR 89 HB THR 89 -5.524 24.281 13.307 1536 HG1 THR 89 1HG THR 89 -6.772 25.198 11.826 1537 1HG2 THR 89 1HG2 THR 89 -3.882 25.239 12.122 1538 2HG2 THR 89 2HG2 THR 89 -4.358 24.451 10.618 1539 3HG2 THR 89 3HG2 THR 89 -3.413 23.566 11.817 1540 H THR 90 H THR 90 -3.834 20.534 11.709 1541 HA THR 90 HA THR 90 -4.625 20.707 8.921 1542 HB THR 90 HB THR 90 -2.568 19.420 8.489 1543 HG1 THR 90 1HG THR 90 -1.578 18.442 10.048 1544 1HG2 THR 90 1HG2 THR 90 -2.471 21.940 10.055 1545 2HG2 THR 90 2HG2 THR 90 -2.019 21.629 8.379 1546 3HG2 THR 90 3HG2 THR 90 -0.963 21.104 9.690 1547 H ASP 91 H ASP 91 -6.377 19.383 10.799 1548 HA ASP 91 HA ASP 91 -7.747 17.576 10.860 1549 1HB ASP 91 2HB ASP 91 -7.132 17.847 8.245 1550 2HB ASP 91 1HB ASP 91 -6.556 16.211 8.534 1551 H GLY 92 H GLY 92 -4.811 16.130 9.481 1552 1HA GLY 92 2HA GLY 92 -3.370 14.944 11.209 1553 2HA GLY 92 1HA GLY 92 -4.875 14.181 11.698 1554 H SER 93 H SER 93 -5.158 14.557 8.451 1555 HA SER 93 HA SER 93 -5.137 13.187 6.690 1556 1HB SER 93 2HB SER 93 -2.944 11.819 6.423 1557 2HB SER 93 1HB SER 93 -2.869 13.578 6.389 1558 HG SER 93 HG SER 93 -2.290 11.899 8.600 1559 H ARG 94 H ARG 94 -6.001 11.331 6.046 1560 HA ARG 94 HA ARG 94 -5.771 8.944 7.733 1561 1HB ARG 94 2HB ARG 94 -8.402 10.099 6.780 1562 2HB ARG 94 1HB ARG 94 -8.205 8.530 7.548 1563 1HG ARG 94 2HG ARG 94 -7.164 10.867 9.024 1564 2HG ARG 94 1HG ARG 94 -8.916 10.725 8.880 1565 1HD ARG 94 2HD ARG 94 -8.369 8.215 9.573 1566 2HD ARG 94 1HD ARG 94 -6.976 9.000 10.314 1567 HE ARG 94 HE ARG 94 -9.712 9.155 11.170 1568 1HH1 ARG 94 1HH1 ARG 94 -6.611 10.773 11.229 1569 2HH1 ARG 94 2HH1 ARG 94 -6.967 11.660 12.673 1570 1HH2 ARG 94 1HH2 ARG 94 -10.171 10.323 13.065 1571 2HH2 ARG 94 2HH2 ARG 94 -8.984 11.406 13.714 1572 H THR 95 H THR 95 -5.400 7.157 6.506 1573 HA THR 95 HA THR 95 -5.736 7.461 3.618 1574 HB THR 95 HB THR 95 -3.467 6.933 4.727 1575 HG1 THR 95 1HG THR 95 -4.544 5.606 2.486 1576 1HG2 THR 95 1HG2 THR 95 -3.918 4.100 4.284 1577 2HG2 THR 95 2HG2 THR 95 -4.743 4.728 5.711 1578 3HG2 THR 95 3HG2 THR 95 -2.999 4.925 5.542 1579 H VAL 96 H VAL 96 -6.519 5.823 2.288 1580 HA VAL 96 HA VAL 96 -8.099 3.717 3.609 1581 HB VAL 96 HB VAL 96 -9.026 5.297 1.202 1582 1HG1 VAL 96 1HG1 VAL 96 -11.198 4.149 1.713 1583 2HG1 VAL 96 2HG1 VAL 96 -10.314 3.134 2.852 1584 3HG1 VAL 96 3HG1 VAL 96 -9.912 3.089 1.136 1585 1HG2 VAL 96 1HG2 VAL 96 -9.411 5.726 4.094 1586 2HG2 VAL 96 2HG2 VAL 96 -10.854 5.856 3.089 1587 3HG2 VAL 96 3HG2 VAL 96 -9.454 6.876 2.757 1588 H ARG 97 H ARG 97 -8.197 1.739 2.452 1589 HA ARG 97 HA ARG 97 -6.355 1.615 0.150 1590 1HB ARG 97 2HB ARG 97 -5.445 0.527 2.136 1591 2HB ARG 97 1HB ARG 97 -6.872 -0.490 2.248 1592 1HG ARG 97 2HG ARG 97 -6.050 -1.955 0.796 1593 2HG ARG 97 1HG ARG 97 -5.653 -0.687 -0.363 1594 1HD ARG 97 2HD ARG 97 -3.496 -0.622 0.261 1595 2HD ARG 97 1HD ARG 97 -3.887 -0.782 1.974 1596 HE ARG 97 HE ARG 97 -4.372 -3.256 0.935 1597 1HH1 ARG 97 1HH1 ARG 97 -1.599 -1.123 0.971 1598 2HH1 ARG 97 2HH1 ARG 97 -0.452 -2.418 0.934 1599 1HH2 ARG 97 1HH2 ARG 97 -2.857 -4.951 0.887 1600 2HH2 ARG 97 2HH2 ARG 97 -1.164 -4.588 0.886 1601 H TRP 98 H TRP 98 -7.411 1.355 -1.664 1602 HA TRP 98 HA TRP 98 -9.818 -0.370 -1.750 1603 1HB TRP 98 2HB TRP 98 -8.995 2.118 -3.094 1604 2HB TRP 98 1HB TRP 98 -9.548 0.908 -4.234 1605 HD1 TRP 98 HD TRP 98 -10.921 3.778 -3.260 1606 HE1 TRP 98 1HE TRP 98 -13.435 3.711 -2.747 1607 HE3 TRP 98 3HE TRP 98 -11.486 -1.236 -2.445 1608 HZ2 TRP 98 2HZ TRP 98 -15.380 1.848 -2.036 1609 HZ3 TRP 98 3HZ TRP 98 -13.716 -2.082 -1.845 1610 HH2 TRP 98 HH TRP 98 -15.627 -0.573 -1.649 1611 H GLU 99 H GLU 99 -9.895 -2.067 -3.201 1612 HA GLU 99 HA GLU 99 -7.692 -2.559 -5.018 1613 1HB GLU 99 2HB GLU 99 -8.494 -4.746 -3.121 1614 2HB GLU 99 1HB GLU 99 -7.082 -4.665 -4.160 1615 1HG GLU 99 2HG GLU 99 -6.342 -2.695 -2.722 1616 2HG GLU 99 1HG GLU 99 -7.588 -3.215 -1.588 1617 H ASN 100 H ASN 100 -8.344 -3.654 -6.832 1618 HA ASN 100 HA ASN 100 -11.049 -4.810 -6.784 1619 1HB ASN 100 2HB ASN 100 -10.997 -3.984 -9.325 1620 2HB ASN 100 1HB ASN 100 -11.621 -2.987 -8.018 1621 1HD2 ASN 100 1HD2 ASN 100 -9.773 -2.925 -10.681 1622 2HD2 ASN 100 2HD2 ASN 100 -8.722 -1.607 -10.301 1623 H LYS 101 H LYS 101 -8.805 -4.561 -9.512 1624 HA LYS 101 HA LYS 101 -8.923 -7.458 -9.787 1625 1HB LYS 101 2HB LYS 101 -9.327 -5.714 -11.682 1626 2HB LYS 101 1HB LYS 101 -7.572 -5.627 -11.743 1627 1HG LYS 101 2HG LYS 101 -9.254 -8.091 -12.157 1628 2HG LYS 101 1HG LYS 101 -8.396 -7.179 -13.400 1629 1HD LYS 101 2HD LYS 101 -6.271 -7.681 -12.134 1630 2HD LYS 101 1HD LYS 101 -7.217 -8.795 -11.147 1631 1HE LYS 101 2HE LYS 101 -7.913 -9.569 -13.658 1632 2HE LYS 101 1HE LYS 101 -6.242 -9.066 -13.901 1633 1HZ LYS 101 1HZ LYS 101 -5.506 -10.599 -12.271 1634 2HZ LYS 101 2HZ LYS 101 -6.552 -11.449 -13.292 1635 3HZ LYS 101 3HZ LYS 101 -7.084 -10.946 -11.768 1636 H SER 102 H SER 102 -7.544 -7.617 -7.862 1637 HA SER 102 HA SER 102 -5.579 -8.301 -6.946 1638 1HB SER 102 2HB SER 102 -5.118 -9.405 -9.099 1639 2HB SER 102 1HB SER 102 -4.405 -7.915 -9.712 1640 HG SER 102 HG SER 102 -3.461 -9.614 -7.666 1641 H MET 103 H MET 103 -4.725 -5.730 -9.293 1642 HA MET 103 HA MET 103 -2.692 -4.520 -7.915 1643 1HB MET 103 2HB MET 103 -4.840 -3.116 -9.515 1644 2HB MET 103 1HB MET 103 -3.266 -2.449 -9.107 1645 1HG MET 103 2HG MET 103 -2.567 -3.239 -11.055 1646 2HG MET 103 1HG MET 103 -2.639 -4.839 -10.320 1647 1HE MET 103 1HE MET 103 -3.925 -5.939 -13.566 1648 2HE MET 103 2HE MET 103 -4.102 -6.794 -12.035 1649 3HE MET 103 3HE MET 103 -2.641 -5.862 -12.360 1650 H TYR 104 H TYR 104 -2.640 -2.486 -6.674 1651 HA TYR 104 HA TYR 104 -4.965 -2.292 -4.860 1652 1HB TYR 104 2HB TYR 104 -2.112 -1.655 -4.109 1653 2HB TYR 104 1HB TYR 104 -3.494 -1.853 -3.037 1654 HD1 TYR 104 1HD TYR 104 -0.603 -3.300 -3.439 1655 HD2 TYR 104 2HD TYR 104 -4.678 -4.352 -4.061 1656 HE1 TYR 104 1HE TYR 104 -0.029 -5.674 -3.147 1657 HE2 TYR 104 2HE TYR 104 -4.116 -6.728 -3.770 1658 HH TYR 104 HH TYR 104 -1.803 -7.913 -2.353 1659 H CYS 105 H CYS 105 -5.371 -0.224 -3.905 1660 HA CYS 105 HA CYS 105 -4.127 2.100 -5.128 1661 1HB CYS 105 2HB CYS 105 -7.059 1.438 -5.429 1662 2HB CYS 105 1HB CYS 105 -6.408 3.055 -5.673 1663 HG CYS 105 HG CYS 105 -4.895 1.300 -7.482 1664 H ILE 106 H ILE 106 -3.447 2.949 -3.244 1665 HA ILE 106 HA ILE 106 -5.259 3.069 -0.962 1666 HB ILE 106 HB ILE 106 -3.063 2.410 -0.364 1667 1HG1 ILE 106 2HG1 ILE 106 -2.741 5.255 0.424 1668 2HG1 ILE 106 1HG1 ILE 106 -4.252 4.475 0.887 1669 1HG2 ILE 106 1HG2 ILE 106 -1.202 4.264 -0.847 1670 2HG2 ILE 106 2HG2 ILE 106 -2.241 4.520 -2.248 1671 3HG2 ILE 106 3HG2 ILE 106 -1.547 2.928 -1.945 1672 1HD1 ILE 106 1HD1 ILE 106 -1.871 2.883 1.434 1673 2HD1 ILE 106 2HD1 ILE 106 -3.264 3.240 2.455 1674 3HD1 ILE 106 3HD1 ILE 106 -1.949 4.408 2.316 1675 H CYS 107 H CYS 107 -6.632 4.688 -0.857 1676 HA CYS 107 HA CYS 107 -5.822 7.318 -1.901 1677 1HB CYS 107 2HB CYS 107 -8.337 7.772 -1.874 1678 2HB CYS 107 1HB CYS 107 -7.749 6.646 -3.091 1679 HG CYS 107 HG CYS 107 -8.907 4.742 -1.924 1680 H THR 108 H THR 108 -5.177 8.641 -0.367 1681 HA THR 108 HA THR 108 -6.475 8.484 2.265 1682 HB THR 108 HB THR 108 -3.972 8.047 2.087 1683 HG1 THR 108 1HG THR 108 -3.662 8.956 4.029 1684 1HG2 THR 108 1HG2 THR 108 -2.511 10.017 2.117 1685 2HG2 THR 108 2HG2 THR 108 -3.887 11.012 1.649 1686 3HG2 THR 108 3HG2 THR 108 -3.289 9.771 0.552 1687 H VAL 109 H VAL 109 -6.992 10.450 3.348 1688 HA VAL 109 HA VAL 109 -7.038 12.840 1.645 1689 HB VAL 109 HB VAL 109 -9.423 12.610 3.353 1690 1HG1 VAL 109 1HG1 VAL 109 -10.254 14.044 1.872 1691 2HG1 VAL 109 2HG1 VAL 109 -9.770 13.058 0.494 1692 3HG1 VAL 109 3HG1 VAL 109 -8.610 14.152 1.246 1693 1HG2 VAL 109 1HG2 VAL 109 -9.341 10.872 0.907 1694 2HG2 VAL 109 2HG2 VAL 109 -10.662 11.073 2.058 1695 3HG2 VAL 109 3HG2 VAL 109 -9.180 10.261 2.553 1696 H PHE 110 H PHE 110 -6.625 14.699 2.665 1697 HA PHE 110 HA PHE 110 -6.665 14.661 5.584 1698 1HB PHE 110 2HB PHE 110 -4.655 16.473 4.467 1699 2HB PHE 110 1HB PHE 110 -4.597 15.475 5.890 1700 HD1 PHE 110 1HD PHE 110 -4.899 12.784 4.825 1701 HD2 PHE 110 2HD PHE 110 -2.711 16.091 3.303 1702 HE1 PHE 110 1HE PHE 110 -3.343 11.244 3.740 1703 HE2 PHE 110 2HE PHE 110 -1.150 14.555 2.196 1704 HZ PHE 110 HZ PHE 110 -1.462 12.119 2.411 1705 H GLY 111 H GLY 111 -8.361 15.794 6.042 1706 1HA GLY 111 2HA GLY 111 -9.158 18.086 4.427 1707 2HA GLY 111 1HA GLY 111 -10.059 17.400 5.776 1708 H LEU 112 H LEU 112 -7.268 19.360 4.910 1709 HA LEU 112 HA LEU 112 -6.801 20.151 7.629 1710 1HB LEU 112 2HB LEU 112 -5.611 20.967 4.997 1711 2HB LEU 112 1HB LEU 112 -5.122 21.695 6.513 1712 HG LEU 112 HG LEU 112 -4.121 19.705 7.283 1713 1HD1 LEU 112 1HD1 LEU 112 -5.928 18.146 6.719 1714 2HD1 LEU 112 2HD1 LEU 112 -4.347 17.533 6.238 1715 3HD1 LEU 112 3HD1 LEU 112 -5.429 18.218 5.033 1716 1HD2 LEU 112 1HD2 LEU 112 -2.753 20.693 5.638 1717 2HD2 LEU 112 2HD2 LEU 112 -3.682 19.943 4.339 1718 3HD2 LEU 112 3HD2 LEU 112 -2.697 18.946 5.410 1719 H ALA 113 H ALA 113 -7.465 21.844 8.700 1720 HA ALA 113 HA ALA 113 -9.502 23.539 7.613 1721 1HB ALA 113 1HB ALA 113 -9.195 24.649 9.946 1722 2HB ALA 113 2HB ALA 113 -8.191 23.239 10.282 1723 3HB ALA 113 3HB ALA 113 -9.885 23.030 9.835 1724 H ILE 114 H ILE 114 -8.296 24.549 5.918 1725 HA ILE 114 HA ILE 114 -7.263 26.354 4.984 1726 HB ILE 114 HB ILE 114 -7.045 27.485 7.773 1727 1HG1 ILE 114 2HG1 ILE 114 -9.375 26.824 7.232 1728 2HG1 ILE 114 1HG1 ILE 114 -9.187 28.567 7.388 1729 1HG2 ILE 114 1HG2 ILE 114 -7.350 29.628 6.279 1730 2HG2 ILE 114 2HG2 ILE 114 -6.700 28.572 5.025 1731 3HG2 ILE 114 3HG2 ILE 114 -5.766 28.881 6.488 1732 1HD1 ILE 114 1HD1 ILE 114 -10.624 27.959 5.513 1733 2HD1 ILE 114 2HD1 ILE 114 -9.298 27.047 4.792 1734 3HD1 ILE 114 3HD1 ILE 114 -9.169 28.797 4.974 Start of MODEL 11 1 1H MET 1 1HT MET 1 26.180 5.872 -16.215 2 HA MET 1 HA MET 1 26.099 4.151 -17.689 3 1HB MET 1 2HB MET 1 27.545 6.090 -19.483 4 2HB MET 1 1HB MET 1 27.586 4.359 -19.787 5 1HG MET 1 2HG MET 1 25.104 4.373 -19.860 6 2HG MET 1 1HG MET 1 25.157 6.129 -19.721 7 1HE MET 1 1HE MET 1 25.864 7.645 -21.100 8 2HE MET 1 2HE MET 1 25.248 7.507 -22.747 9 3HE MET 1 3HE MET 1 26.984 7.421 -22.445 10 H GLU 2 H GLU 2 27.198 3.284 -15.917 11 HA GLU 2 HA GLU 2 29.842 2.455 -16.370 12 1HB GLU 2 2HB GLU 2 29.923 4.997 -15.521 13 2HB GLU 2 1HB GLU 2 29.851 4.191 -13.961 14 1HG GLU 2 2HG GLU 2 31.807 2.807 -14.689 15 2HG GLU 2 1HG GLU 2 31.930 3.851 -16.104 16 H GLY 3 H GLY 3 27.476 3.206 -13.833 17 1HA GLY 3 2HA GLY 3 26.853 0.651 -13.092 18 2HA GLY 3 1HA GLY 3 28.302 1.016 -12.167 19 H VAL 4 H VAL 4 27.982 3.601 -11.446 20 HA VAL 4 HA VAL 4 25.434 3.617 -9.961 21 HB VAL 4 HB VAL 4 28.054 4.703 -8.925 22 1HG1 VAL 4 1HG1 VAL 4 25.476 4.126 -7.472 23 2HG1 VAL 4 2HG1 VAL 4 25.952 5.718 -8.061 24 3HG1 VAL 4 3HG1 VAL 4 26.916 4.912 -6.824 25 1HG2 VAL 4 1HG2 VAL 4 28.094 2.230 -9.198 26 2HG2 VAL 4 2HG2 VAL 4 26.695 2.130 -8.130 27 3HG2 VAL 4 3HG2 VAL 4 28.225 2.760 -7.522 28 H ASP 5 H ASP 5 24.200 5.319 -10.382 29 HA ASP 5 HA ASP 5 25.488 7.783 -11.363 30 1HB ASP 5 2HB ASP 5 23.978 6.392 -12.953 31 2HB ASP 5 1HB ASP 5 22.648 7.047 -12.004 32 HA PRO 6 HA PRO 6 23.619 9.061 -7.384 33 1HB PRO 6 2HB PRO 6 25.248 11.473 -7.878 34 2HB PRO 6 1HB PRO 6 25.217 10.405 -6.472 35 1HG PRO 6 2HG PRO 6 27.284 10.408 -8.171 36 2HG PRO 6 1HG PRO 6 26.714 8.912 -7.405 37 1HD PRO 6 2HD PRO 6 26.224 9.928 -10.182 38 2HD PRO 6 1HD PRO 6 26.597 8.279 -9.635 39 H ALA 7 H ALA 7 21.613 9.805 -7.480 40 HA ALA 7 HA ALA 7 19.824 11.173 -7.816 41 1HB ALA 7 1HB ALA 7 21.752 13.207 -8.920 42 2HB ALA 7 2HB ALA 7 21.445 12.971 -7.199 43 3HB ALA 7 3HB ALA 7 20.140 13.495 -8.264 44 H VAL 8 H VAL 8 21.991 11.944 -10.527 45 HA VAL 8 HA VAL 8 21.787 11.759 -12.783 46 HB VAL 8 HB VAL 8 19.395 10.048 -12.920 47 1HG1 VAL 8 1HG1 VAL 8 21.256 8.649 -14.142 48 2HG1 VAL 8 2HG1 VAL 8 22.110 10.192 -14.099 49 3HG1 VAL 8 3HG1 VAL 8 20.533 10.078 -14.880 50 1HG2 VAL 8 1HG2 VAL 8 21.640 9.273 -11.149 51 2HG2 VAL 8 2HG2 VAL 8 20.942 8.048 -12.209 52 3HG2 VAL 8 3HG2 VAL 8 19.922 8.892 -11.045 53 H GLU 9 H GLU 9 18.445 11.328 -11.729 54 HA GLU 9 HA GLU 9 17.646 13.519 -13.491 55 1HB GLU 9 2HB GLU 9 15.543 11.914 -12.187 56 2HB GLU 9 1HB GLU 9 15.709 12.415 -13.854 57 1HG GLU 9 2HG GLU 9 17.639 10.578 -13.787 58 2HG GLU 9 1HG GLU 9 16.580 9.932 -12.533 59 H GLU 10 H GLU 10 18.812 14.635 -11.442 60 HA GLU 10 HA GLU 10 17.404 15.005 -9.063 61 1HB GLU 10 2HB GLU 10 19.783 15.846 -9.935 62 2HB GLU 10 1HB GLU 10 18.874 17.325 -10.207 63 1HG GLU 10 2HG GLU 10 18.739 17.792 -8.025 64 2HG GLU 10 1HG GLU 10 18.440 16.113 -7.580 65 H ALA 11 H ALA 11 15.469 15.842 -8.693 66 HA ALA 11 HA ALA 11 14.297 17.651 -10.685 67 1HB ALA 11 1HB ALA 11 13.175 15.699 -8.748 68 2HB ALA 11 2HB ALA 11 12.739 16.007 -10.428 69 3HB ALA 11 3HB ALA 11 12.200 17.109 -9.161 70 H ALA 12 H ALA 12 13.448 19.633 -10.134 71 HA ALA 12 HA ALA 12 13.032 20.670 -7.591 72 1HB ALA 12 1HB ALA 12 15.180 20.766 -6.867 73 2HB ALA 12 2HB ALA 12 15.168 22.274 -7.779 74 3HB ALA 12 3HB ALA 12 15.844 20.813 -8.500 75 H PHE 13 H PHE 13 12.201 22.752 -7.671 76 HA PHE 13 HA PHE 13 12.313 24.104 -10.278 77 1HB PHE 13 2HB PHE 13 10.090 22.777 -9.461 78 2HB PHE 13 1HB PHE 13 9.773 24.375 -8.794 79 HD1 PHE 13 1HD PHE 13 10.474 22.525 -11.910 80 HD2 PHE 13 2HD PHE 13 9.131 26.171 -10.174 81 HE1 PHE 13 1HE PHE 13 9.709 23.291 -14.119 82 HE2 PHE 13 2HE PHE 13 8.362 26.942 -12.380 83 HZ PHE 13 HZ PHE 13 8.650 25.501 -14.357 84 H VAL 14 H VAL 14 10.736 24.798 -7.145 85 HA VAL 14 HA VAL 14 12.351 27.263 -7.010 86 HB VAL 14 HB VAL 14 9.486 27.037 -6.084 87 1HG1 VAL 14 1HG1 VAL 14 11.251 28.748 -5.144 88 2HG1 VAL 14 2HG1 VAL 14 9.597 29.250 -5.498 89 3HG1 VAL 14 3HG1 VAL 14 10.891 29.602 -6.644 90 1HG2 VAL 14 1HG2 VAL 14 9.097 26.997 -8.325 91 2HG2 VAL 14 2HG2 VAL 14 10.640 27.755 -8.719 92 3HG2 VAL 14 3HG2 VAL 14 9.302 28.738 -8.124 93 H ALA 15 H ALA 15 13.810 26.191 -5.596 94 HA ALA 15 HA ALA 15 13.444 26.608 -2.895 95 1HB ALA 15 1HB ALA 15 12.150 24.179 -3.751 96 2HB ALA 15 2HB ALA 15 12.151 24.948 -2.166 97 3HB ALA 15 3HB ALA 15 13.432 23.818 -2.596 98 H ASP 16 H ASP 16 15.584 27.327 -3.672 99 HA ASP 16 HA ASP 16 17.592 25.376 -4.278 100 1HB ASP 16 2HB ASP 16 17.648 27.771 -5.044 101 2HB ASP 16 1HB ASP 16 18.006 28.234 -3.383 102 H ASP 17 H ASP 17 17.023 27.506 -1.478 103 HA ASP 17 HA ASP 17 19.012 26.501 0.186 104 1HB ASP 17 2HB ASP 17 17.443 28.547 0.492 105 2HB ASP 17 1HB ASP 17 16.356 27.400 1.270 106 H VAL 18 H VAL 18 15.757 25.359 -0.437 107 HA VAL 18 HA VAL 18 15.868 23.303 1.588 108 HB VAL 18 HB VAL 18 13.889 23.524 -0.678 109 1HG1 VAL 18 1HG1 VAL 18 14.140 21.870 1.746 110 2HG1 VAL 18 2HG1 VAL 18 13.345 21.524 0.211 111 3HG1 VAL 18 3HG1 VAL 18 12.532 22.517 1.420 112 1HG2 VAL 18 1HG2 VAL 18 13.730 24.773 2.062 113 2HG2 VAL 18 2HG2 VAL 18 12.459 24.790 0.838 114 3HG2 VAL 18 3HG2 VAL 18 13.976 25.640 0.546 115 H SER 19 H SER 19 16.434 23.619 -1.847 116 HA SER 19 HA SER 19 16.403 20.944 -2.614 117 1HB SER 19 2HB SER 19 16.520 22.494 -4.372 118 2HB SER 19 1HB SER 19 17.881 23.350 -3.649 119 HG SER 19 HG SER 19 17.873 21.217 -5.331 120 H ASN 20 H ASN 20 19.084 22.910 -1.356 121 HA ASN 20 HA ASN 20 21.011 20.831 -1.527 122 1HB ASN 20 2HB ASN 20 22.444 22.241 -0.206 123 2HB ASN 20 1HB ASN 20 21.554 23.267 -1.325 124 1HD2 ASN 20 1HD2 ASN 20 20.460 24.934 -0.532 125 2HD2 ASN 20 2HD2 ASN 20 20.164 25.227 1.146 126 H ILE 21 H ILE 21 18.871 21.894 1.089 127 HA ILE 21 HA ILE 21 19.864 20.338 3.175 128 HB ILE 21 HB ILE 21 16.996 21.115 2.585 129 1HG1 ILE 21 2HG1 ILE 21 18.892 22.383 4.546 130 2HG1 ILE 21 1HG1 ILE 21 18.769 22.920 2.875 131 1HG2 ILE 21 1HG2 ILE 21 16.517 20.744 4.935 132 2HG2 ILE 21 2HG2 ILE 21 18.169 20.190 5.204 133 3HG2 ILE 21 3HG2 ILE 21 17.081 19.253 4.181 134 1HD1 ILE 21 1HD1 ILE 21 16.901 23.265 5.124 135 2HD1 ILE 21 2HD1 ILE 21 16.192 22.995 3.532 136 3HD1 ILE 21 3HD1 ILE 21 17.291 24.350 3.790 137 H ILE 22 H ILE 22 17.534 19.493 0.634 138 HA ILE 22 HA ILE 22 16.931 16.912 1.627 139 HB ILE 22 HB ILE 22 16.886 17.673 -1.289 140 1HG1 ILE 22 2HG1 ILE 22 14.372 17.947 0.214 141 2HG1 ILE 22 1HG1 ILE 22 15.593 19.139 0.638 142 1HG2 ILE 22 1HG2 ILE 22 16.374 15.455 -1.245 143 2HG2 ILE 22 2HG2 ILE 22 14.764 16.131 -0.998 144 3HG2 ILE 22 3HG2 ILE 22 15.688 15.529 0.378 145 1HD1 ILE 22 1HD1 ILE 22 14.758 20.282 -1.088 146 2HD1 ILE 22 2HD1 ILE 22 14.009 18.851 -1.796 147 3HD1 ILE 22 3HD1 ILE 22 15.718 19.178 -2.073 148 H LYS 23 H LYS 23 19.116 17.945 -0.994 149 HA LYS 23 HA LYS 23 20.145 15.433 -1.573 150 1HB LYS 23 2HB LYS 23 21.432 18.126 -1.869 151 2HB LYS 23 1HB LYS 23 21.966 16.656 -2.672 152 1HG LYS 23 2HG LYS 23 19.897 16.492 -3.867 153 2HG LYS 23 1HG LYS 23 19.236 17.862 -2.979 154 1HD LYS 23 2HD LYS 23 21.542 17.904 -4.923 155 2HD LYS 23 1HD LYS 23 19.938 18.580 -5.146 156 1HE LYS 23 2HE LYS 23 20.359 20.126 -3.263 157 2HE LYS 23 1HE LYS 23 22.005 19.505 -3.171 158 1HZ LYS 23 1HZ LYS 23 22.236 20.206 -5.553 159 2HZ LYS 23 2HZ LYS 23 22.092 21.470 -4.440 160 3HZ LYS 23 3HZ LYS 23 20.765 21.026 -5.388 161 H GLU 24 H GLU 24 21.595 18.005 0.351 162 HA GLU 24 HA GLU 24 23.831 16.568 1.214 163 1HB GLU 24 2HB GLU 24 22.418 18.994 2.093 164 2HB GLU 24 1HB GLU 24 23.274 18.182 3.384 165 1HG GLU 24 2HG GLU 24 25.023 19.381 2.698 166 2HG GLU 24 1HG GLU 24 25.144 18.181 1.412 167 H SER 25 H SER 25 20.538 16.582 2.410 168 HA SER 25 HA SER 25 21.116 15.065 4.762 169 1HB SER 25 2HB SER 25 18.550 15.724 3.308 170 2HB SER 25 1HB SER 25 18.585 14.709 4.750 171 HG SER 25 HG SER 25 18.228 16.830 5.369 172 H ILE 26 H ILE 26 19.738 14.181 1.545 173 HA ILE 26 HA ILE 26 19.406 11.439 2.130 174 HB ILE 26 HB ILE 26 19.700 12.956 -0.448 175 1HG1 ILE 26 2HG1 ILE 26 17.505 11.420 -0.710 176 2HG1 ILE 26 1HG1 ILE 26 17.585 11.522 1.043 177 1HG2 ILE 26 1HG2 ILE 26 19.118 10.506 -1.431 178 2HG2 ILE 26 2HG2 ILE 26 20.223 10.062 -0.133 179 3HG2 ILE 26 3HG2 ILE 26 20.748 11.179 -1.393 180 1HD1 ILE 26 1HD1 ILE 26 17.748 13.971 -0.654 181 2HD1 ILE 26 2HD1 ILE 26 17.280 13.820 1.038 182 3HD1 ILE 26 3HD1 ILE 26 16.198 13.249 -0.228 183 H ASP 27 H ASP 27 22.108 13.311 0.945 184 HA ASP 27 HA ASP 27 23.917 11.339 0.283 185 1HB ASP 27 2HB ASP 27 24.536 13.570 -0.164 186 2HB ASP 27 1HB ASP 27 24.152 14.097 1.458 187 H ALA 28 H ALA 28 23.030 12.616 3.434 188 HA ALA 28 HA ALA 28 24.859 10.835 4.839 189 1HB ALA 28 1HB ALA 28 22.866 12.528 6.259 190 2HB ALA 28 2HB ALA 28 24.169 13.330 5.382 191 3HB ALA 28 3HB ALA 28 24.547 12.179 6.664 192 H VAL 29 H VAL 29 21.402 11.288 4.379 193 HA VAL 29 HA VAL 29 20.572 9.293 6.211 194 HB VAL 29 HB VAL 29 19.388 11.264 4.424 195 1HG1 VAL 29 1HG1 VAL 29 17.074 10.001 4.899 196 2HG1 VAL 29 2HG1 VAL 29 18.088 8.651 4.434 197 3HG1 VAL 29 3HG1 VAL 29 17.893 10.029 3.353 198 1HG2 VAL 29 1HG2 VAL 29 19.513 10.784 7.102 199 2HG2 VAL 29 2HG2 VAL 29 17.841 10.431 6.699 200 3HG2 VAL 29 3HG2 VAL 29 18.526 12.000 6.302 201 H LEU 30 H LEU 30 21.960 9.083 3.144 202 HA LEU 30 HA LEU 30 20.883 6.371 2.818 203 1HB LEU 30 2HB LEU 30 21.638 8.400 0.731 204 2HB LEU 30 1HB LEU 30 21.500 6.693 0.365 205 HG LEU 30 HG LEU 30 19.455 8.001 -0.213 206 1HD1 LEU 30 1HD1 LEU 30 18.903 6.092 2.017 207 2HD1 LEU 30 2HD1 LEU 30 19.463 5.560 0.434 208 3HD1 LEU 30 3HD1 LEU 30 17.924 6.411 0.590 209 1HD2 LEU 30 1HD2 LEU 30 19.764 9.366 2.037 210 2HD2 LEU 30 2HD2 LEU 30 18.712 8.098 2.649 211 3HD2 LEU 30 3HD2 LEU 30 18.184 9.110 1.308 212 H GLN 31 H GLN 31 23.775 8.431 2.775 213 HA GLN 31 HA GLN 31 25.449 6.114 2.182 214 1HB GLN 31 2HB GLN 31 25.828 8.493 1.267 215 2HB GLN 31 1HB GLN 31 26.480 8.838 2.857 216 1HG GLN 31 2HG GLN 31 28.181 7.231 2.617 217 2HG GLN 31 1HG GLN 31 27.461 6.629 1.133 218 1HE2 GLN 31 1HE2 GLN 31 28.449 9.774 2.438 219 2HE2 GLN 31 2HE2 GLN 31 29.309 10.282 1.028 220 H ASN 32 H ASN 32 24.205 7.662 4.966 221 HA ASN 32 HA ASN 32 26.139 7.654 6.865 222 1HB ASN 32 2HB ASN 32 24.299 6.742 8.454 223 2HB ASN 32 1HB ASN 32 24.046 8.286 7.655 224 1HD2 ASN 32 1HD2 ASN 32 21.797 7.640 8.309 225 2HD2 ASN 32 2HD2 ASN 32 20.875 6.735 7.162 226 H GLN 33 H GLN 33 24.760 4.804 5.383 227 HA GLN 33 HA GLN 33 26.858 3.186 6.542 228 1HB GLN 33 2HB GLN 33 24.566 3.283 7.983 229 2HB GLN 33 1HB GLN 33 24.194 1.952 6.896 230 1HG GLN 33 2HG GLN 33 25.586 0.558 7.939 231 2HG GLN 33 1HG GLN 33 26.853 1.776 8.078 232 1HE2 GLN 33 1HE2 GLN 33 26.211 3.584 9.687 233 2HE2 GLN 33 2HE2 GLN 33 25.607 3.029 11.207 234 H GLN 34 H GLN 34 25.847 0.671 5.901 235 HA GLN 34 HA GLN 34 26.127 0.728 3.033 236 1HB GLN 34 2HB GLN 34 27.102 -0.999 4.712 237 2HB GLN 34 1HB GLN 34 25.508 -1.737 4.633 238 1HG GLN 34 2HG GLN 34 25.743 -2.303 2.392 239 2HG GLN 34 1HG GLN 34 27.049 -1.146 2.140 240 1HE2 GLN 34 1HE2 GLN 34 26.386 -4.320 2.372 241 2HE2 GLN 34 2HE2 GLN 34 27.916 -4.915 2.913 242 H TYR 35 H TYR 35 24.658 -0.663 1.674 243 HA TYR 35 HA TYR 35 22.045 0.340 1.771 244 1HB TYR 35 2HB TYR 35 23.134 -0.406 -0.297 245 2HB TYR 35 1HB TYR 35 23.100 -2.066 0.283 246 HD1 TYR 35 1HD TYR 35 20.761 -3.068 0.785 247 HD2 TYR 35 2HD TYR 35 21.379 0.414 -1.583 248 HE1 TYR 35 1HE TYR 35 18.553 -3.386 -0.251 249 HE2 TYR 35 2HE TYR 35 19.171 0.105 -2.623 250 HH TYR 35 HH TYR 35 16.868 -1.215 -1.697 251 H SER 36 H SER 36 20.571 -0.133 3.338 252 HA SER 36 HA SER 36 20.368 -2.986 4.126 253 1HB SER 36 2HB SER 36 20.357 -0.495 5.723 254 2HB SER 36 1HB SER 36 19.144 -1.692 6.178 255 HG SER 36 HG SER 36 21.856 -1.733 6.518 256 H GLU 37 H GLU 37 18.368 -3.960 3.993 257 HA GLU 37 HA GLU 37 16.387 -2.657 2.418 258 1HB GLU 37 2HB GLU 37 16.741 -5.110 2.369 259 2HB GLU 37 1HB GLU 37 16.102 -5.210 4.006 260 1HG GLU 37 2HG GLU 37 14.048 -5.337 3.205 261 2HG GLU 37 1HG GLU 37 14.237 -3.760 2.455 262 H ALA 38 H ALA 38 16.678 -3.426 5.852 263 HA ALA 38 HA ALA 38 14.107 -2.571 6.636 264 1HB ALA 38 1HB ALA 38 14.906 -2.638 8.837 265 2HB ALA 38 2HB ALA 38 16.558 -2.269 8.343 266 3HB ALA 38 3HB ALA 38 15.866 -3.852 7.991 267 H LYS 39 H LYS 39 17.038 -0.910 5.832 268 HA LYS 39 HA LYS 39 16.074 1.664 6.775 269 1HB LYS 39 2HB LYS 39 18.642 0.440 6.145 270 2HB LYS 39 1HB LYS 39 18.485 2.053 5.483 271 1HG LYS 39 2HG LYS 39 19.519 2.095 7.665 272 2HG LYS 39 1HG LYS 39 17.961 2.923 7.694 273 1HD LYS 39 2HD LYS 39 17.768 1.660 9.583 274 2HD LYS 39 1HD LYS 39 17.109 0.530 8.399 275 1HE LYS 39 2HE LYS 39 18.969 -0.816 8.444 276 2HE LYS 39 1HE LYS 39 20.037 0.497 8.936 277 1HZ LYS 39 1HZ LYS 39 19.324 -1.359 10.611 278 2HZ LYS 39 2HZ LYS 39 17.956 -0.382 10.804 279 3HZ LYS 39 3HZ LYS 39 19.494 0.245 11.122 280 H VAL 40 H VAL 40 16.124 -0.202 3.899 281 HA VAL 40 HA VAL 40 16.486 1.616 1.885 282 HB VAL 40 HB VAL 40 15.112 -0.966 2.158 283 1HG1 VAL 40 1HG1 VAL 40 14.119 0.959 0.113 284 2HG1 VAL 40 2HG1 VAL 40 13.231 -0.230 1.066 285 3HG1 VAL 40 3HG1 VAL 40 14.246 -0.757 -0.277 286 1HG2 VAL 40 1HG2 VAL 40 16.702 0.075 -0.153 287 2HG2 VAL 40 2HG2 VAL 40 16.477 -1.596 0.364 288 3HG2 VAL 40 3HG2 VAL 40 17.446 -0.494 1.341 289 H SER 41 H SER 41 13.713 1.312 3.995 290 HA SER 41 HA SER 41 12.372 3.489 2.524 291 1HB SER 41 2HB SER 41 11.307 1.243 4.218 292 2HB SER 41 1HB SER 41 10.364 2.717 4.003 293 HG SER 41 HG SER 41 10.442 0.689 2.387 294 H GLN 42 H GLN 42 13.652 2.474 5.597 295 HA GLN 42 HA GLN 42 12.603 4.638 7.112 296 1HB GLN 42 2HB GLN 42 14.477 2.423 7.556 297 2HB GLN 42 1HB GLN 42 14.881 3.876 8.456 298 1HG GLN 42 2HG GLN 42 13.477 2.277 9.705 299 2HG GLN 42 1HG GLN 42 12.751 3.872 9.531 300 1HE2 GLN 42 1HE2 GLN 42 12.710 0.575 8.326 301 2HE2 GLN 42 2HE2 GLN 42 11.087 0.611 7.736 302 H TRP 43 H TRP 43 15.390 4.119 5.114 303 HA TRP 43 HA TRP 43 17.164 6.091 5.746 304 1HB TRP 43 2HB TRP 43 16.194 4.890 3.175 305 2HB TRP 43 1HB TRP 43 17.232 6.300 3.080 306 HD1 TRP 43 HD TRP 43 18.855 4.869 5.816 307 HE1 TRP 43 1HE TRP 43 20.699 3.249 5.161 308 HE3 TRP 43 3HE TRP 43 17.430 3.926 1.007 309 HZ2 TRP 43 2HZ TRP 43 21.472 1.743 2.929 310 HZ3 TRP 43 3HZ TRP 43 18.783 2.363 -0.327 311 HH2 TRP 43 HH TRP 43 20.764 1.293 0.613 312 H THR 44 H THR 44 14.673 6.445 3.266 313 HA THR 44 HA THR 44 14.824 9.210 3.023 314 HB THR 44 HB THR 44 13.619 7.280 1.626 315 HG1 THR 44 1HG THR 44 13.695 8.989 0.444 316 1HG2 THR 44 1HG2 THR 44 11.318 8.612 3.021 317 2HG2 THR 44 2HG2 THR 44 11.739 6.900 3.077 318 3HG2 THR 44 3HG2 THR 44 11.206 7.629 1.561 319 H SER 45 H SER 45 13.220 7.289 5.405 320 HA SER 45 HA SER 45 11.429 9.331 6.310 321 1HB SER 45 2HB SER 45 12.027 6.587 7.007 322 2HB SER 45 1HB SER 45 11.915 7.581 8.459 323 HG SER 45 HG SER 45 9.945 6.667 6.908 324 H SER 46 H SER 46 14.640 8.198 7.139 325 HA SER 46 HA SER 46 15.047 9.880 9.383 326 1HB SER 46 2HB SER 46 16.652 8.068 7.723 327 2HB SER 46 1HB SER 46 17.563 9.443 8.335 328 HG SER 46 HG SER 46 17.704 8.005 9.942 329 H CYS 47 H CYS 47 15.395 10.278 5.926 330 HA CYS 47 HA CYS 47 16.786 12.756 6.032 331 1HB CYS 47 2HB CYS 47 15.797 11.057 3.976 332 2HB CYS 47 1HB CYS 47 15.088 12.635 3.733 333 HG CYS 47 HG CYS 47 17.351 13.643 3.309 334 H LEU 48 H LEU 48 13.436 11.762 6.020 335 HA LEU 48 HA LEU 48 12.256 14.285 5.789 336 1HB LEU 48 2HB LEU 48 11.436 11.589 6.601 337 2HB LEU 48 1HB LEU 48 10.537 12.850 7.407 338 HG LEU 48 HG LEU 48 9.378 13.409 5.542 339 1HD1 LEU 48 1HD1 LEU 48 11.827 12.742 3.938 340 2HD1 LEU 48 2HD1 LEU 48 11.104 14.321 4.221 341 3HD1 LEU 48 3HD1 LEU 48 10.273 13.148 3.208 342 1HD2 LEU 48 1HD2 LEU 48 8.765 11.173 5.665 343 2HD2 LEU 48 2HD2 LEU 48 10.312 10.617 5.028 344 3HD2 LEU 48 3HD2 LEU 48 9.160 11.420 3.964 345 H GLU 49 H GLU 49 13.608 12.563 8.522 346 HA GLU 49 HA GLU 49 12.722 14.584 10.362 347 1HB GLU 49 2HB GLU 49 13.213 12.155 10.991 348 2HB GLU 49 1HB GLU 49 14.911 12.639 10.974 349 1HG GLU 49 2HG GLU 49 14.161 14.561 12.477 350 2HG GLU 49 1HG GLU 49 12.702 13.626 12.734 351 H HIS 50 H HIS 50 15.549 13.870 8.460 352 HA HIS 50 HA HIS 50 17.131 15.969 9.664 353 1HB HIS 50 2HB HIS 50 17.571 14.058 7.381 354 2HB HIS 50 1HB HIS 50 18.682 15.389 7.688 355 HD1 HIS 50 1HD HIS 50 19.633 15.379 10.295 356 HD2 HIS 50 2HD HIS 50 18.224 11.802 8.719 357 HE1 HIS 50 1HE HIS 50 20.619 13.573 11.741 358 HE2 HIS 50 2HE HIS 50 19.680 11.423 10.823 359 H CYS 51 H CYS 51 14.538 16.075 7.658 360 HA CYS 51 HA CYS 51 15.563 18.328 6.075 361 1HB CYS 51 2HB CYS 51 14.311 16.213 5.037 362 2HB CYS 51 1HB CYS 51 12.875 17.086 5.558 363 HG CYS 51 HG CYS 51 14.718 17.875 3.238 364 H ILE 52 H ILE 52 12.954 17.165 8.107 365 HA ILE 52 HA ILE 52 11.548 19.612 8.331 366 HB ILE 52 HB ILE 52 10.481 17.503 8.805 367 1HG1 ILE 52 2HG1 ILE 52 9.726 19.541 10.025 368 2HG1 ILE 52 1HG1 ILE 52 9.270 18.004 10.742 369 1HG2 ILE 52 1HG2 ILE 52 12.787 16.766 10.035 370 2HG2 ILE 52 2HG2 ILE 52 11.273 15.869 10.051 371 3HG2 ILE 52 3HG2 ILE 52 11.674 16.939 11.388 372 1HD1 ILE 52 1HD1 ILE 52 10.730 20.188 11.860 373 2HD1 ILE 52 2HD1 ILE 52 11.659 18.693 11.949 374 3HD1 ILE 52 3HD1 ILE 52 10.041 18.767 12.643 375 H LYS 53 H LYS 53 14.209 18.129 10.071 376 HA LYS 53 HA LYS 53 14.201 20.037 12.207 377 1HB LYS 53 2HB LYS 53 15.934 17.761 11.374 378 2HB LYS 53 1HB LYS 53 16.642 18.972 12.422 379 1HG LYS 53 2HG LYS 53 15.656 16.904 13.515 380 2HG LYS 53 1HG LYS 53 15.201 18.456 14.191 381 1HD LYS 53 2HD LYS 53 13.332 17.704 12.154 382 2HD LYS 53 1HD LYS 53 13.523 16.385 13.294 383 1HE LYS 53 2HE LYS 53 11.703 17.936 13.912 384 2HE LYS 53 1HE LYS 53 12.959 17.825 15.139 385 1HZ LYS 53 1HZ LYS 53 12.390 20.092 14.902 386 2HZ LYS 53 2HZ LYS 53 12.511 20.038 13.219 387 3HZ LYS 53 3HZ LYS 53 13.901 19.909 14.167 388 H ARG 54 H ARG 54 15.813 19.684 9.141 389 HA ARG 54 HA ARG 54 17.723 21.775 9.596 390 1HB ARG 54 2HB ARG 54 17.476 19.710 7.785 391 2HB ARG 54 1HB ARG 54 17.141 21.127 6.802 392 1HG ARG 54 2HG ARG 54 19.596 20.690 8.484 393 2HG ARG 54 1HG ARG 54 19.495 20.533 6.731 394 1HD ARG 54 2HD ARG 54 19.532 22.759 6.407 395 2HD ARG 54 1HD ARG 54 18.544 23.088 7.819 396 HE ARG 54 HE ARG 54 20.456 23.526 8.965 397 1HH1 ARG 54 1HH1 ARG 54 21.282 21.456 6.268 398 2HH1 ARG 54 2HH1 ARG 54 22.980 21.503 6.598 399 1HH2 ARG 54 1HH2 ARG 54 22.689 23.581 9.391 400 2HH2 ARG 54 2HH2 ARG 54 23.778 22.706 8.368 401 H LEU 55 H LEU 55 14.696 21.477 7.801 402 HA LEU 55 HA LEU 55 14.671 24.011 6.635 403 1HB LEU 55 2HB LEU 55 12.468 22.131 7.438 404 2HB LEU 55 1HB LEU 55 12.139 23.659 6.637 405 HG LEU 55 HG LEU 55 13.848 21.438 5.515 406 1HD1 LEU 55 1HD1 LEU 55 11.223 21.265 5.690 407 2HD1 LEU 55 2HD1 LEU 55 12.095 20.741 4.250 408 3HD1 LEU 55 3HD1 LEU 55 11.302 22.316 4.276 409 1HD2 LEU 55 1HD2 LEU 55 13.041 24.124 4.450 410 2HD2 LEU 55 2HD2 LEU 55 13.661 22.822 3.435 411 3HD2 LEU 55 3HD2 LEU 55 14.668 23.500 4.713 412 H THR 56 H THR 56 13.453 22.933 9.767 413 HA THR 56 HA THR 56 12.348 25.440 10.500 414 HB THR 56 HB THR 56 12.139 24.514 12.709 415 HG1 THR 56 1HG THR 56 13.530 23.150 13.471 416 1HG2 THR 56 1HG2 THR 56 11.519 22.800 10.407 417 2HG2 THR 56 2HG2 THR 56 10.477 23.394 11.699 418 3HG2 THR 56 3HG2 THR 56 11.522 22.001 11.978 419 H ALA 57 H ALA 57 15.531 24.015 10.661 420 HA ALA 57 HA ALA 57 16.720 25.839 12.467 421 1HB ALA 57 1HB ALA 57 18.763 25.100 10.790 422 2HB ALA 57 2HB ALA 57 17.623 23.770 10.595 423 3HB ALA 57 3HB ALA 57 18.227 24.184 12.199 424 H LEU 58 H LEU 58 16.205 25.789 8.995 425 HA LEU 58 HA LEU 58 17.567 28.281 8.529 426 1HB LEU 58 2HB LEU 58 16.276 26.174 6.941 427 2HB LEU 58 1HB LEU 58 16.104 27.783 6.277 428 HG LEU 58 HG LEU 58 18.019 26.773 5.273 429 1HD1 LEU 58 1HD1 LEU 58 19.452 28.513 5.502 430 2HD1 LEU 58 2HD1 LEU 58 19.411 28.460 7.264 431 3HD1 LEU 58 3HD1 LEU 58 18.080 29.198 6.373 432 1HD2 LEU 58 1HD2 LEU 58 19.471 26.450 7.839 433 2HD2 LEU 58 2HD2 LEU 58 19.608 25.538 6.336 434 3HD2 LEU 58 3HD2 LEU 58 18.254 25.243 7.427 435 H ASN 59 H ASN 59 14.391 27.269 9.403 436 HA ASN 59 HA ASN 59 12.378 28.284 9.569 437 1HB ASN 59 2HB ASN 59 12.401 30.475 10.643 438 2HB ASN 59 1HB ASN 59 13.615 29.417 11.352 439 1HD2 ASN 59 1HD2 ASN 59 15.812 29.794 10.878 440 2HD2 ASN 59 2HD2 ASN 59 16.356 31.344 10.347 441 H LYS 60 H LYS 60 11.767 28.078 7.391 442 HA LYS 60 HA LYS 60 10.798 30.373 6.183 443 1HB LYS 60 2HB LYS 60 12.264 30.435 4.125 444 2HB LYS 60 1HB LYS 60 12.997 31.060 5.596 445 1HG LYS 60 2HG LYS 60 13.894 28.602 5.811 446 2HG LYS 60 1HG LYS 60 13.616 28.586 4.068 447 1HD LYS 60 2HD LYS 60 15.246 30.666 5.523 448 2HD LYS 60 1HD LYS 60 15.924 29.257 4.706 449 1HE LYS 60 2HE LYS 60 15.553 30.108 2.636 450 2HE LYS 60 1HE LYS 60 14.082 30.946 3.127 451 1HZ LYS 60 1HZ LYS 60 16.295 32.233 2.574 452 2HZ LYS 60 2HZ LYS 60 16.618 31.920 4.204 453 3HZ LYS 60 3HZ LYS 60 15.228 32.780 3.768 454 HA PRO 61 HA PRO 61 9.048 30.614 5.525 455 1HB PRO 61 2HB PRO 61 6.442 29.582 5.261 456 2HB PRO 61 1HB PRO 61 7.289 30.623 4.125 457 1HG PRO 61 2HG PRO 61 6.540 27.967 3.675 458 2HG PRO 61 1HG PRO 61 7.693 28.904 2.712 459 1HD PRO 61 2HD PRO 61 8.197 26.883 4.842 460 2HD PRO 61 1HD PRO 61 9.137 27.246 3.378 461 H PHE 62 H PHE 62 6.817 27.988 6.397 462 HA PHE 62 HA PHE 62 7.572 28.244 9.205 463 1HB PHE 62 2HB PHE 62 5.796 29.894 8.914 464 2HB PHE 62 1HB PHE 62 4.750 28.676 8.198 465 HD1 PHE 62 1HD PHE 62 6.288 29.874 11.301 466 HD2 PHE 62 2HD PHE 62 3.608 27.064 9.559 467 HE1 PHE 62 1HE PHE 62 5.421 29.321 13.537 468 HE2 PHE 62 2HE PHE 62 2.736 26.506 11.792 469 HZ PHE 62 HZ PHE 62 3.642 27.635 13.784 470 H LYS 63 H LYS 63 4.726 26.796 7.619 471 HA LYS 63 HA LYS 63 5.151 24.321 9.003 472 1HB LYS 63 2HB LYS 63 2.924 25.505 8.109 473 2HB LYS 63 1HB LYS 63 3.239 24.459 6.732 474 1HG LYS 63 2HG LYS 63 3.106 22.507 8.075 475 2HG LYS 63 1HG LYS 63 3.104 23.456 9.562 476 1HD LYS 63 2HD LYS 63 0.951 23.746 7.486 477 2HD LYS 63 1HD LYS 63 0.866 22.519 8.751 478 1HE LYS 63 2HE LYS 63 1.523 25.140 9.814 479 2HE LYS 63 1HE LYS 63 -0.001 25.148 8.928 480 1HZ LYS 63 1HZ LYS 63 0.321 22.908 10.719 481 2HZ LYS 63 2HZ LYS 63 -1.004 23.932 10.490 482 3HZ LYS 63 3HZ LYS 63 0.268 24.412 11.494 483 H TYR 64 H TYR 64 6.797 23.069 8.393 484 HA TYR 64 HA TYR 64 7.313 22.744 5.519 485 1HB TYR 64 2HB TYR 64 9.181 21.674 7.594 486 2HB TYR 64 1HB TYR 64 9.535 22.316 5.996 487 HD1 TYR 64 1HD TYR 64 8.967 24.913 5.738 488 HD2 TYR 64 2HD TYR 64 9.775 22.947 9.422 489 HE1 TYR 64 1HE TYR 64 9.572 27.070 6.750 490 HE2 TYR 64 2HE TYR 64 10.385 25.098 10.444 491 HH TYR 64 HH TYR 64 9.653 28.058 9.064 492 H VAL 65 H VAL 65 6.264 21.080 4.684 493 HA VAL 65 HA VAL 65 6.080 18.596 6.238 494 HB VAL 65 HB VAL 65 3.876 19.373 5.672 495 1HG1 VAL 65 1HG1 VAL 65 3.748 20.772 3.940 496 2HG1 VAL 65 2HG1 VAL 65 3.556 19.317 2.960 497 3HG1 VAL 65 3HG1 VAL 65 5.135 20.046 3.161 498 1HG2 VAL 65 1HG2 VAL 65 4.521 16.914 5.313 499 2HG2 VAL 65 2HG2 VAL 65 4.383 17.289 3.595 500 3HG2 VAL 65 3HG2 VAL 65 2.988 17.488 4.656 501 H VAL 66 H VAL 66 8.035 17.693 5.713 502 HA VAL 66 HA VAL 66 8.848 17.508 2.927 503 HB VAL 66 HB VAL 66 10.257 16.145 5.205 504 1HG1 VAL 66 1HG1 VAL 66 12.110 16.152 3.843 505 2HG1 VAL 66 2HG1 VAL 66 11.538 17.520 2.889 506 3HG1 VAL 66 3HG1 VAL 66 10.804 15.930 2.679 507 1HG2 VAL 66 1HG2 VAL 66 10.444 18.134 6.234 508 2HG2 VAL 66 2HG2 VAL 66 9.933 19.032 4.806 509 3HG2 VAL 66 3HG2 VAL 66 11.607 18.504 4.962 510 H THR 67 H THR 67 8.489 15.765 1.650 511 HA THR 67 HA THR 67 7.860 13.215 2.949 512 HB THR 67 HB THR 67 5.699 14.095 2.429 513 HG1 THR 67 1HG THR 67 5.031 12.358 1.433 514 1HG2 THR 67 1HG2 THR 67 6.065 14.265 -0.467 515 2HG2 THR 67 2HG2 THR 67 6.842 15.544 0.467 516 3HG2 THR 67 3HG2 THR 67 5.109 15.265 0.626 517 H CYS 68 H CYS 68 8.691 11.462 2.036 518 HA CYS 68 HA CYS 68 9.842 11.701 -0.644 519 1HB CYS 68 2HB CYS 68 11.319 10.596 1.745 520 2HB CYS 68 1HB CYS 68 11.918 10.685 0.112 521 HG CYS 68 HG CYS 68 12.764 12.680 1.699 522 H ILE 69 H ILE 69 9.512 9.991 -1.894 523 HA ILE 69 HA ILE 69 8.427 7.552 -0.649 524 HB ILE 69 HB ILE 69 7.946 8.702 -3.405 525 1HG1 ILE 69 2HG1 ILE 69 5.533 8.624 -2.488 526 2HG1 ILE 69 1HG1 ILE 69 6.294 8.471 -0.907 527 1HG2 ILE 69 1HG2 ILE 69 8.012 6.313 -3.625 528 2HG2 ILE 69 2HG2 ILE 69 6.333 6.847 -3.700 529 3HG2 ILE 69 3HG2 ILE 69 6.959 6.115 -2.223 530 1HD1 ILE 69 1HD1 ILE 69 5.607 10.807 -1.889 531 2HD1 ILE 69 2HD1 ILE 69 7.176 10.677 -2.685 532 3HD1 ILE 69 3HD1 ILE 69 7.071 10.610 -0.926 533 H ILE 70 H ILE 70 9.278 5.570 -1.192 534 HA ILE 70 HA ILE 70 11.842 5.649 -2.611 535 HB ILE 70 HB ILE 70 12.325 3.494 -1.556 536 1HG1 ILE 70 2HG1 ILE 70 10.449 3.223 0.472 537 2HG1 ILE 70 1HG1 ILE 70 9.470 3.611 -0.938 538 1HG2 ILE 70 1HG2 ILE 70 11.371 5.483 0.493 539 2HG2 ILE 70 2HG2 ILE 70 12.854 5.658 -0.443 540 3HG2 ILE 70 3HG2 ILE 70 12.668 4.303 0.668 541 1HD1 ILE 70 1HD1 ILE 70 10.167 1.130 -0.289 542 2HD1 ILE 70 2HD1 ILE 70 11.553 1.552 -1.295 543 3HD1 ILE 70 3HD1 ILE 70 9.921 1.650 -1.957 544 H MET 71 H MET 71 12.346 4.265 -4.280 545 HA MET 71 HA MET 71 10.105 2.729 -5.420 546 1HB MET 71 2HB MET 71 12.123 4.485 -6.805 547 2HB MET 71 1HB MET 71 11.201 3.262 -7.668 548 1HG MET 71 2HG MET 71 10.081 5.615 -6.162 549 2HG MET 71 1HG MET 71 10.181 5.435 -7.912 550 1HE MET 71 1HE MET 71 6.586 5.033 -5.817 551 2HE MET 71 2HE MET 71 6.988 5.974 -7.253 552 3HE MET 71 3HE MET 71 7.978 6.115 -5.800 553 H GLN 72 H GLN 72 10.568 0.665 -5.124 554 HA GLN 72 HA GLN 72 13.193 -0.367 -4.831 555 1HB GLN 72 2HB GLN 72 11.128 -1.369 -3.839 556 2HB GLN 72 1HB GLN 72 10.664 -1.899 -5.450 557 1HG GLN 72 2HG GLN 72 11.810 -3.759 -5.128 558 2HG GLN 72 1HG GLN 72 13.289 -2.802 -5.069 559 1HE2 GLN 72 1HE2 GLN 72 14.364 -3.916 -3.530 560 2HE2 GLN 72 2HE2 GLN 72 13.832 -4.076 -1.895 561 H LYS 73 H LYS 73 14.630 -0.847 -6.338 562 HA LYS 73 HA LYS 73 15.601 -1.277 -8.348 563 1HB LYS 73 2HB LYS 73 13.040 -2.729 -9.016 564 2HB LYS 73 1HB LYS 73 14.640 -3.024 -9.680 565 1HG LYS 73 2HG LYS 73 15.323 -3.582 -7.272 566 2HG LYS 73 1HG LYS 73 13.589 -3.683 -6.956 567 1HD LYS 73 2HD LYS 73 14.272 -5.883 -7.462 568 2HD LYS 73 1HD LYS 73 13.473 -5.289 -8.918 569 1HE LYS 73 2HE LYS 73 15.465 -6.423 -9.586 570 2HE LYS 73 1HE LYS 73 15.720 -4.696 -9.823 571 1HZ LYS 73 1HZ LYS 73 17.578 -6.011 -8.735 572 2HZ LYS 73 2HZ LYS 73 16.599 -6.068 -7.356 573 3HZ LYS 73 3HZ LYS 73 17.109 -4.577 -7.969 574 H ASN 74 H ASN 74 14.750 -1.474 -10.918 575 HA ASN 74 HA ASN 74 13.322 1.059 -11.401 576 1HB ASN 74 2HB ASN 74 14.792 1.348 -13.403 577 2HB ASN 74 1HB ASN 74 15.658 1.429 -11.872 578 1HD2 ASN 74 1HD2 ASN 74 17.374 1.029 -13.613 579 2HD2 ASN 74 2HD2 ASN 74 17.814 -0.623 -13.861 580 H GLY 75 H GLY 75 11.374 -0.141 -11.682 581 1HA GLY 75 2HA GLY 75 10.828 -0.839 -14.360 582 2HA GLY 75 1HA GLY 75 11.041 -2.308 -13.420 583 H ALA 76 H ALA 76 9.920 -1.308 -10.981 584 HA ALA 76 HA ALA 76 7.198 -1.893 -11.435 585 1HB ALA 76 1HB ALA 76 7.929 -2.454 -9.313 586 2HB ALA 76 2HB ALA 76 6.993 -0.990 -9.013 587 3HB ALA 76 3HB ALA 76 8.754 -0.914 -9.077 588 H GLY 77 H GLY 77 5.397 -0.622 -11.581 589 1HA GLY 77 2HA GLY 77 5.896 2.212 -12.148 590 2HA GLY 77 1HA GLY 77 4.472 1.299 -12.626 591 H LEU 78 H LEU 78 5.304 3.787 -10.823 592 HA LEU 78 HA LEU 78 3.142 3.309 -8.905 593 1HB LEU 78 2HB LEU 78 5.683 3.109 -8.064 594 2HB LEU 78 1HB LEU 78 5.476 4.843 -7.912 595 HG LEU 78 HG LEU 78 5.002 3.812 -5.795 596 1HD1 LEU 78 1HD1 LEU 78 3.131 5.000 -5.322 597 2HD1 LEU 78 2HD1 LEU 78 2.239 4.360 -6.703 598 3HD1 LEU 78 3HD1 LEU 78 3.434 5.636 -6.939 599 1HD2 LEU 78 1HD2 LEU 78 4.473 1.570 -6.553 600 2HD2 LEU 78 2HD2 LEU 78 2.978 2.148 -7.288 601 3HD2 LEU 78 3HD2 LEU 78 3.172 2.190 -5.536 602 H HIS 79 H HIS 79 1.846 5.045 -8.538 603 HA HIS 79 HA HIS 79 2.701 7.670 -9.510 604 1HB HIS 79 2HB HIS 79 0.500 6.015 -10.607 605 2HB HIS 79 1HB HIS 79 0.144 7.722 -10.366 606 HD1 HIS 79 1HD HIS 79 3.071 5.793 -11.875 607 HD2 HIS 79 2HD HIS 79 0.654 9.088 -12.628 608 HE1 HIS 79 1HE HIS 79 3.885 6.739 -14.058 609 HE2 HIS 79 2HE HIS 79 2.467 8.785 -14.447 610 H THR 80 H THR 80 2.386 9.102 -7.957 611 HA THR 80 HA THR 80 0.430 8.541 -5.856 612 HB THR 80 HB THR 80 2.577 10.668 -5.984 613 HG1 THR 80 1HG THR 80 3.844 9.098 -5.470 614 1HG2 THR 80 1HG2 THR 80 2.180 10.318 -3.377 615 2HG2 THR 80 2HG2 THR 80 0.545 9.994 -3.955 616 3HG2 THR 80 3HG2 THR 80 1.322 11.533 -4.324 617 H ALA 81 H ALA 81 -1.061 10.160 -5.142 618 HA ALA 81 HA ALA 81 -1.541 12.389 -6.977 619 1HB ALA 81 1HB ALA 81 -2.886 10.405 -7.734 620 2HB ALA 81 2HB ALA 81 -3.830 11.844 -7.346 621 3HB ALA 81 3HB ALA 81 -3.758 10.501 -6.205 622 H ALA 82 H ALA 82 -2.452 14.173 -6.012 623 HA ALA 82 HA ALA 82 -3.713 13.977 -3.445 624 1HB ALA 82 1HB ALA 82 -1.312 13.869 -2.874 625 2HB ALA 82 2HB ALA 82 -2.170 15.234 -2.158 626 3HB ALA 82 3HB ALA 82 -1.127 15.484 -3.559 627 H SER 83 H SER 83 -5.229 15.413 -3.312 628 HA SER 83 HA SER 83 -5.260 17.685 -5.143 629 1HB SER 83 2HB SER 83 -7.276 16.387 -5.167 630 2HB SER 83 1HB SER 83 -7.367 16.379 -3.412 631 HG SER 83 HG SER 83 -7.869 18.497 -5.204 632 H CYS 84 H CYS 84 -4.546 19.588 -4.425 633 HA CYS 84 HA CYS 84 -4.659 20.130 -1.535 634 1HB CYS 84 2HB CYS 84 -2.900 21.858 -2.041 635 2HB CYS 84 1HB CYS 84 -2.398 20.192 -2.315 636 HG CYS 84 HG CYS 84 -3.208 22.025 -4.696 637 H TRP 85 H TRP 85 -5.806 21.816 -0.775 638 HA TRP 85 HA TRP 85 -7.580 23.172 -2.575 639 1HB TRP 85 2HB TRP 85 -7.698 22.499 0.075 640 2HB TRP 85 1HB TRP 85 -7.350 24.223 0.170 641 HD1 TRP 85 HD TRP 85 -9.817 22.028 -1.878 642 HE1 TRP 85 1HE TRP 85 -12.098 23.206 -1.889 643 HE3 TRP 85 3HE TRP 85 -8.600 26.175 0.849 644 HZ2 TRP 85 2HZ TRP 85 -13.239 25.585 -0.876 645 HZ3 TRP 85 3HZ TRP 85 -10.343 27.856 1.283 646 HH2 TRP 85 HH TRP 85 -12.616 27.565 0.437 647 H TRP 86 H TRP 86 -4.630 23.937 -0.858 648 HA TRP 86 HA TRP 86 -4.575 26.570 -2.177 649 1HB TRP 86 2HB TRP 86 -3.509 25.736 0.523 650 2HB TRP 86 1HB TRP 86 -3.019 27.227 -0.278 651 HD1 TRP 86 HD TRP 86 -5.893 25.673 1.642 652 HE1 TRP 86 1HE TRP 86 -7.652 27.482 2.133 653 HE3 TRP 86 3HE TRP 86 -4.018 29.425 -1.265 654 HZ2 TRP 86 2HZ TRP 86 -8.178 30.156 1.385 655 HZ3 TRP 86 3HZ TRP 86 -5.207 31.581 -1.326 656 HH2 TRP 86 HH TRP 86 -7.244 31.937 -0.028 657 H ASP 87 H ASP 87 -2.155 27.355 -2.302 658 HA ASP 87 HA ASP 87 -0.127 25.391 -2.540 659 1HB ASP 87 2HB ASP 87 -1.771 25.029 -4.561 660 2HB ASP 87 1HB ASP 87 -0.922 26.417 -5.232 661 H SER 88 H SER 88 -1.299 28.498 -3.772 662 HA SER 88 HA SER 88 1.187 29.619 -4.395 663 1HB SER 88 2HB SER 88 -1.337 30.439 -4.745 664 2HB SER 88 1HB SER 88 -0.931 31.418 -3.335 665 HG SER 88 HG SER 88 0.272 32.624 -4.558 666 H THR 89 H THR 89 -0.467 29.296 -1.327 667 HA THR 89 HA THR 89 1.648 30.882 -0.036 668 HB THR 89 HB THR 89 -0.448 31.774 0.563 669 HG1 THR 89 1HG THR 89 -0.055 31.739 2.614 670 1HG2 THR 89 1HG2 THR 89 -1.926 30.006 -0.163 671 2HG2 THR 89 2HG2 THR 89 -2.287 30.464 1.502 672 3HG2 THR 89 3HG2 THR 89 -1.390 28.983 1.168 673 H THR 90 H THR 90 -0.100 27.784 0.228 674 HA THR 90 HA THR 90 1.904 26.900 2.133 675 HB THR 90 HB THR 90 0.359 25.125 2.707 676 HG1 THR 90 1HG THR 90 -1.292 24.609 1.496 677 1HG2 THR 90 1HG2 THR 90 -0.025 27.587 3.477 678 2HG2 THR 90 2HG2 THR 90 -1.218 26.336 3.821 679 3HG2 THR 90 3HG2 THR 90 -1.472 27.451 2.480 680 H ASP 91 H ASP 91 0.145 24.696 0.040 681 HA ASP 91 HA ASP 91 2.205 23.046 -0.460 682 1HB ASP 91 2HB ASP 91 -0.351 22.996 -1.163 683 2HB ASP 91 1HB ASP 91 0.320 23.453 -2.724 684 H GLY 92 H GLY 92 4.151 23.504 -1.108 685 1HA GLY 92 2HA GLY 92 4.533 25.231 -3.470 686 2HA GLY 92 1HA GLY 92 5.760 24.899 -2.249 687 H SER 93 H SER 93 5.265 22.134 -2.015 688 HA SER 93 HA SER 93 6.129 20.192 -2.799 689 1HB SER 93 2HB SER 93 3.917 20.317 -3.917 690 2HB SER 93 1HB SER 93 4.704 21.019 -5.330 691 HG SER 93 HG SER 93 4.752 18.936 -5.824 692 H ARG 94 H ARG 94 8.216 19.916 -3.068 693 HA ARG 94 HA ARG 94 9.417 20.637 -5.645 694 1HB ARG 94 2HB ARG 94 11.047 20.979 -3.147 695 2HB ARG 94 1HB ARG 94 11.308 21.670 -4.739 696 1HG ARG 94 2HG ARG 94 8.993 22.468 -3.002 697 2HG ARG 94 1HG ARG 94 10.571 23.252 -2.907 698 1HD ARG 94 2HD ARG 94 10.425 24.028 -5.135 699 2HD ARG 94 1HD ARG 94 9.049 22.982 -5.486 700 HE ARG 94 HE ARG 94 8.551 24.892 -3.395 701 1HH1 ARG 94 1HH1 ARG 94 8.506 24.367 -6.854 702 2HH1 ARG 94 2HH1 ARG 94 7.339 25.611 -7.148 703 1HH2 ARG 94 1HH2 ARG 94 7.018 26.523 -3.791 704 2HH2 ARG 94 2HH2 ARG 94 6.496 26.834 -5.412 705 H THR 95 H THR 95 9.563 18.562 -6.371 706 HA THR 95 HA THR 95 10.517 16.470 -4.607 707 HB THR 95 HB THR 95 8.584 16.058 -6.054 708 HG1 THR 95 1HG THR 95 9.590 14.209 -5.549 709 1HG2 THR 95 1HG2 THR 95 9.815 17.371 -8.002 710 2HG2 THR 95 2HG2 THR 95 8.578 16.149 -8.294 711 3HG2 THR 95 3HG2 THR 95 10.285 15.726 -8.429 712 H VAL 96 H VAL 96 12.224 15.076 -5.025 713 HA VAL 96 HA VAL 96 14.191 15.878 -7.039 714 HB VAL 96 HB VAL 96 15.009 15.403 -4.170 715 1HG1 VAL 96 1HG1 VAL 96 17.159 15.928 -4.818 716 2HG1 VAL 96 2HG1 VAL 96 16.627 16.816 -6.245 717 3HG1 VAL 96 3HG1 VAL 96 16.563 15.053 -6.228 718 1HG2 VAL 96 1HG2 VAL 96 15.559 18.018 -4.564 719 2HG2 VAL 96 2HG2 VAL 96 14.096 17.427 -3.778 720 3HG2 VAL 96 3HG2 VAL 96 14.064 17.864 -5.486 721 H ARG 97 H ARG 97 14.673 14.081 -8.143 722 HA ARG 97 HA ARG 97 14.151 11.478 -6.992 723 1HB ARG 97 2HB ARG 97 15.294 12.066 -9.719 724 2HB ARG 97 1HB ARG 97 14.479 10.602 -9.190 725 1HG ARG 97 2HG ARG 97 12.866 13.028 -8.917 726 2HG ARG 97 1HG ARG 97 13.320 12.639 -10.577 727 1HD ARG 97 2HD ARG 97 12.548 10.233 -9.921 728 2HD ARG 97 1HD ARG 97 11.673 11.070 -8.639 729 HE ARG 97 HE ARG 97 11.038 12.410 -10.949 730 1HH1 ARG 97 1HH1 ARG 97 10.726 9.117 -9.809 731 2HH1 ARG 97 2HH1 ARG 97 9.308 8.800 -10.750 732 1HH2 ARG 97 1HH2 ARG 97 9.177 11.984 -12.181 733 2HH2 ARG 97 2HH2 ARG 97 8.431 10.424 -12.095 734 H TRP 98 H TRP 98 15.595 10.370 -5.887 735 HA TRP 98 HA TRP 98 18.462 10.849 -6.382 736 1HB TRP 98 2HB TRP 98 16.872 10.548 -3.972 737 2HB TRP 98 1HB TRP 98 18.171 9.363 -4.005 738 HD1 TRP 98 HD TRP 98 17.607 12.477 -2.497 739 HE1 TRP 98 1HE TRP 98 19.756 13.855 -2.197 740 HE3 TRP 98 3HE TRP 98 20.649 10.027 -5.790 741 HZ2 TRP 98 2HZ TRP 98 22.355 13.943 -3.216 742 HZ3 TRP 98 3HZ TRP 98 22.961 10.826 -6.075 743 HH2 TRP 98 HH TRP 98 23.798 12.743 -4.811 744 H GLU 99 H GLU 99 19.613 9.269 -7.291 745 HA GLU 99 HA GLU 99 18.763 6.482 -6.980 746 1HB GLU 99 2HB GLU 99 19.723 7.504 -9.643 747 2HB GLU 99 1HB GLU 99 18.914 5.987 -9.282 748 1HG GLU 99 2HG GLU 99 16.843 7.186 -8.825 749 2HG GLU 99 1HG GLU 99 17.651 8.716 -9.163 750 H ASN 100 H ASN 100 20.464 4.988 -6.952 751 HA ASN 100 HA ASN 100 23.161 6.149 -7.138 752 1HB ASN 100 2HB ASN 100 23.658 4.340 -5.254 753 2HB ASN 100 1HB ASN 100 23.123 5.968 -4.863 754 1HD2 ASN 100 1HD2 ASN 100 22.240 5.350 -2.913 755 2HD2 ASN 100 2HD2 ASN 100 20.790 4.418 -2.798 756 H LYS 101 H LYS 101 22.344 2.812 -6.295 757 HA LYS 101 HA LYS 101 24.079 1.865 -8.384 758 1HB LYS 101 2HB LYS 101 24.148 0.768 -6.236 759 2HB LYS 101 1HB LYS 101 22.425 0.431 -6.303 760 1HG LYS 101 2HG LYS 101 23.845 -0.663 -8.588 761 2HG LYS 101 1HG LYS 101 24.473 -1.266 -7.052 762 1HD LYS 101 2HD LYS 101 21.556 -1.278 -7.824 763 2HD LYS 101 1HD LYS 101 22.641 -2.657 -8.008 764 1HE LYS 101 2HE LYS 101 23.119 -2.327 -5.495 765 2HE LYS 101 1HE LYS 101 21.645 -1.360 -5.497 766 1HZ LYS 101 1HZ LYS 101 21.482 -3.983 -6.750 767 2HZ LYS 101 2HZ LYS 101 20.351 -3.168 -5.790 768 3HZ LYS 101 3HZ LYS 101 21.655 -3.966 -5.066 769 H SER 102 H SER 102 20.686 1.201 -7.534 770 HA SER 102 HA SER 102 19.956 1.220 -10.340 771 1HB SER 102 2HB SER 102 20.680 -1.096 -10.040 772 2HB SER 102 1HB SER 102 19.616 -1.267 -8.643 773 HG SER 102 HG SER 102 18.906 -1.977 -10.896 774 H MET 103 H MET 103 18.899 0.483 -7.033 775 HA MET 103 HA MET 103 16.157 0.916 -7.436 776 1HB MET 103 2HB MET 103 17.043 -0.194 -5.438 777 2HB MET 103 1HB MET 103 17.801 1.308 -4.927 778 1HG MET 103 2HG MET 103 15.523 2.326 -4.826 779 2HG MET 103 1HG MET 103 14.860 0.720 -5.121 780 1HE MET 103 1HE MET 103 13.456 1.018 -3.397 781 2HE MET 103 2HE MET 103 13.828 1.572 -1.765 782 3HE MET 103 3HE MET 103 13.816 -0.153 -2.129 783 H TYR 104 H TYR 104 14.840 2.727 -7.050 784 HA TYR 104 HA TYR 104 16.287 5.295 -7.174 785 1HB TYR 104 2HB TYR 104 13.521 4.635 -8.211 786 2HB TYR 104 1HB TYR 104 14.322 6.196 -8.341 787 HD1 TYR 104 1HD TYR 104 17.083 5.220 -9.075 788 HD2 TYR 104 2HD TYR 104 13.230 4.083 -10.478 789 HE1 TYR 104 1HE TYR 104 18.073 4.531 -11.217 790 HE2 TYR 104 2HE TYR 104 14.210 3.389 -12.624 791 HH TYR 104 HH TYR 104 16.323 2.730 -13.557 792 H CYS 105 H CYS 105 15.449 7.077 -6.018 793 HA CYS 105 HA CYS 105 13.363 6.543 -4.052 794 1HB CYS 105 2HB CYS 105 16.195 7.329 -3.363 795 2HB CYS 105 1HB CYS 105 14.845 7.555 -2.256 796 HG CYS 105 HG CYS 105 14.821 4.705 -2.968 797 H ILE 106 H ILE 106 11.963 8.125 -4.410 798 HA ILE 106 HA ILE 106 12.898 10.737 -5.298 799 HB ILE 106 HB ILE 106 11.026 9.885 -6.521 800 1HG1 ILE 106 2HG1 ILE 106 9.510 11.786 -4.820 801 2HG1 ILE 106 1HG1 ILE 106 11.031 12.373 -5.485 802 1HG2 ILE 106 1HG2 ILE 106 8.836 9.475 -5.331 803 2HG2 ILE 106 2HG2 ILE 106 9.766 9.469 -3.834 804 3HG2 ILE 106 3HG2 ILE 106 10.103 8.274 -5.087 805 1HD1 ILE 106 1HD1 ILE 106 9.250 11.002 -7.380 806 2HD1 ILE 106 2HD1 ILE 106 10.227 12.457 -7.581 807 3HD1 ILE 106 3HD1 ILE 106 8.674 12.545 -6.749 808 H CYS 107 H CYS 107 12.868 12.538 -4.107 809 HA CYS 107 HA CYS 107 11.654 12.447 -1.437 810 1HB CYS 107 2HB CYS 107 14.435 13.344 -2.142 811 2HB CYS 107 1HB CYS 107 13.684 13.702 -0.607 812 HG CYS 107 HG CYS 107 13.941 10.720 -1.315 813 H THR 108 H THR 108 10.143 13.981 -1.448 814 HA THR 108 HA THR 108 10.749 16.509 -2.815 815 HB THR 108 HB THR 108 8.832 15.027 -3.692 816 HG1 THR 108 1HG THR 108 7.750 16.840 -4.313 817 1HG2 THR 108 1HG2 THR 108 7.673 14.512 -1.628 818 2HG2 THR 108 2HG2 THR 108 6.633 15.459 -2.692 819 3HG2 THR 108 3HG2 THR 108 7.422 16.230 -1.316 820 H VAL 109 H VAL 109 10.020 18.454 -1.897 821 HA VAL 109 HA VAL 109 9.452 18.304 0.990 822 HB VAL 109 HB VAL 109 10.749 20.792 0.057 823 1HG1 VAL 109 1HG1 VAL 109 10.504 19.171 2.475 824 2HG1 VAL 109 2HG1 VAL 109 10.669 20.916 2.284 825 3HG1 VAL 109 3HG1 VAL 109 12.101 19.889 2.253 826 1HG2 VAL 109 1HG2 VAL 109 12.307 19.642 -1.135 827 2HG2 VAL 109 2HG2 VAL 109 12.130 18.173 -0.174 828 3HG2 VAL 109 3HG2 VAL 109 13.032 19.546 0.469 829 H PHE 110 H PHE 110 7.585 19.224 1.533 830 HA PHE 110 HA PHE 110 6.387 21.072 -0.399 831 1HB PHE 110 2HB PHE 110 5.247 19.069 1.478 832 2HB PHE 110 1HB PHE 110 4.300 20.507 1.146 833 HD1 PHE 110 1HD PHE 110 2.663 20.146 -0.408 834 HD2 PHE 110 2HD PHE 110 6.409 18.182 -0.876 835 HE1 PHE 110 1HE PHE 110 1.855 19.115 -2.491 836 HE2 PHE 110 2HE PHE 110 5.609 17.150 -2.961 837 HZ PHE 110 HZ PHE 110 3.330 17.615 -3.771 838 H GLY 111 H GLY 111 7.104 23.011 0.117 839 1HA GLY 111 2HA GLY 111 7.426 23.838 2.878 840 2HA GLY 111 1HA GLY 111 7.816 24.791 1.453 841 H LEU 112 H LEU 112 5.276 23.809 3.670 842 HA LEU 112 HA LEU 112 3.420 25.600 2.327 843 1HB LEU 112 2HB LEU 112 3.122 23.559 4.489 844 2HB LEU 112 1HB LEU 112 1.832 24.688 4.107 845 HG LEU 112 HG LEU 112 1.572 23.801 1.915 846 1HD1 LEU 112 1HD1 LEU 112 3.866 23.523 1.245 847 2HD1 LEU 112 2HD1 LEU 112 3.003 21.999 1.028 848 3HD1 LEU 112 3HD1 LEU 112 4.077 22.214 2.410 849 1HD2 LEU 112 1HD2 LEU 112 1.931 21.669 3.951 850 2HD2 LEU 112 2HD2 LEU 112 1.292 21.359 2.336 851 3HD2 LEU 112 3HD2 LEU 112 0.444 22.458 3.425 852 H ALA 113 H ALA 113 3.575 27.628 2.690 853 HA ALA 113 HA ALA 113 4.642 28.733 5.097 854 1HB ALA 113 1HB ALA 113 3.027 30.391 3.235 855 2HB ALA 113 2HB ALA 113 4.532 29.682 2.647 856 3HB ALA 113 3HB ALA 113 4.550 30.757 4.045 857 H ILE 114 H ILE 114 3.299 27.864 6.734 858 HA ILE 114 HA ILE 114 0.761 29.325 7.010 859 HB ILE 114 HB ILE 114 1.113 26.507 8.000 860 1HG1 ILE 114 2HG1 ILE 114 -0.238 27.421 5.451 861 2HG1 ILE 114 1HG1 ILE 114 1.265 26.507 5.541 862 1HG2 ILE 114 1HG2 ILE 114 -1.428 26.673 7.954 863 2HG2 ILE 114 2HG2 ILE 114 -1.192 28.409 7.752 864 3HG2 ILE 114 3HG2 ILE 114 -0.582 27.598 9.195 865 1HD1 ILE 114 1HD1 ILE 114 -1.471 25.588 5.647 866 2HD1 ILE 114 2HD1 ILE 114 -0.522 24.996 7.009 867 3HD1 ILE 114 3HD1 ILE 114 0.016 24.686 5.358 868 1H MET 1 1HT MET 1 -11.351 -13.829 -2.247 869 HA MET 1 HA MET 1 -10.098 -15.674 -2.653 870 1HB MET 1 2HB MET 1 -11.789 -16.867 -0.466 871 2HB MET 1 1HB MET 1 -10.927 -17.884 -1.611 872 1HG MET 1 2HG MET 1 -8.821 -16.756 -0.936 873 2HG MET 1 1HG MET 1 -9.732 -15.897 0.304 874 1HE MET 1 1HE MET 1 -10.704 -16.612 2.106 875 2HE MET 1 2HE MET 1 -9.706 -17.633 3.141 876 3HE MET 1 3HE MET 1 -11.205 -18.264 2.461 877 H GLU 2 H GLU 2 -11.056 -15.231 -4.648 878 HA GLU 2 HA GLU 2 -12.782 -17.197 -5.670 879 1HB GLU 2 2HB GLU 2 -14.269 -15.463 -4.264 880 2HB GLU 2 1HB GLU 2 -14.216 -14.598 -5.795 881 1HG GLU 2 2HG GLU 2 -15.028 -16.693 -6.900 882 2HG GLU 2 1HG GLU 2 -15.274 -17.366 -5.289 883 H GLY 3 H GLY 3 -11.776 -13.811 -6.025 884 1HA GLY 3 2HA GLY 3 -10.223 -14.084 -8.258 885 2HA GLY 3 1HA GLY 3 -11.851 -13.905 -8.895 886 H VAL 4 H VAL 4 -12.986 -12.060 -7.281 887 HA VAL 4 HA VAL 4 -11.214 -9.714 -7.521 888 HB VAL 4 HB VAL 4 -14.200 -9.688 -7.971 889 1HG1 VAL 4 1HG1 VAL 4 -12.115 -7.615 -8.635 890 2HG1 VAL 4 2HG1 VAL 4 -13.124 -7.585 -7.188 891 3HG1 VAL 4 3HG1 VAL 4 -13.864 -7.457 -8.784 892 1HG2 VAL 4 1HG2 VAL 4 -12.994 -11.010 -9.697 893 2HG2 VAL 4 2HG2 VAL 4 -12.032 -9.578 -10.064 894 3HG2 VAL 4 3HG2 VAL 4 -13.775 -9.562 -10.332 895 H ASP 5 H ASP 5 -10.874 -8.696 -5.664 896 HA ASP 5 HA ASP 5 -12.886 -8.962 -3.525 897 1HB ASP 5 2HB ASP 5 -10.555 -10.072 -3.254 898 2HB ASP 5 1HB ASP 5 -9.979 -8.430 -2.991 899 HA PRO 6 HA PRO 6 -12.908 -4.482 -4.467 900 1HB PRO 6 2HB PRO 6 -15.304 -4.562 -2.743 901 2HB PRO 6 1HB PRO 6 -15.122 -3.950 -4.389 902 1HG PRO 6 2HG PRO 6 -16.444 -6.222 -3.888 903 2HG PRO 6 1HG PRO 6 -15.446 -6.032 -5.342 904 1HD PRO 6 2HD PRO 6 -14.819 -7.462 -2.785 905 2HD PRO 6 1HD PRO 6 -14.488 -7.953 -4.460 906 H ALA 7 H ALA 7 -11.544 -3.275 -3.342 907 HA ALA 7 HA ALA 7 -10.599 -2.076 -1.653 908 1HB ALA 7 1HB ALA 7 -12.914 -2.929 0.074 909 2HB ALA 7 2HB ALA 7 -12.974 -1.579 -1.059 910 3HB ALA 7 3HB ALA 7 -11.854 -1.538 0.303 911 H VAL 8 H VAL 8 -12.116 -4.825 0.015 912 HA VAL 8 HA VAL 8 -11.291 -6.527 1.277 913 HB VAL 8 HB VAL 8 -8.427 -6.255 0.655 914 1HG1 VAL 8 1HG1 VAL 8 -9.029 -8.687 -0.144 915 2HG1 VAL 8 2HG1 VAL 8 -10.492 -8.375 0.791 916 3HG1 VAL 8 3HG1 VAL 8 -8.912 -8.272 1.566 917 1HG2 VAL 8 1HG2 VAL 8 -10.397 -6.315 -1.556 918 2HG2 VAL 8 2HG2 VAL 8 -8.961 -7.333 -1.680 919 3HG2 VAL 8 3HG2 VAL 8 -8.793 -5.590 -1.480 920 H GLU 9 H GLU 9 -8.529 -4.331 1.153 921 HA GLU 9 HA GLU 9 -8.453 -4.323 4.074 922 1HB GLU 9 2HB GLU 9 -6.243 -3.044 2.599 923 2HB GLU 9 1HB GLU 9 -6.203 -4.169 3.936 924 1HG GLU 9 2HG GLU 9 -6.978 -5.847 2.016 925 2HG GLU 9 1HG GLU 9 -6.092 -4.677 1.038 926 H GLU 10 H GLU 10 -10.479 -2.821 3.405 927 HA GLU 10 HA GLU 10 -10.061 -0.181 2.615 928 1HB GLU 10 2HB GLU 10 -12.250 -1.600 3.182 929 2HB GLU 10 1HB GLU 10 -12.116 -0.720 4.698 930 1HG GLU 10 2HG GLU 10 -12.769 1.211 3.781 931 2HG GLU 10 1HG GLU 10 -11.831 0.947 2.311 932 H ALA 11 H ALA 11 -8.917 1.388 3.514 933 HA ALA 11 HA ALA 11 -8.287 1.231 6.375 934 1HB ALA 11 1HB ALA 11 -6.899 2.372 4.011 935 2HB ALA 11 2HB ALA 11 -6.257 1.436 5.361 936 3HB ALA 11 3HB ALA 11 -6.641 3.144 5.576 937 H ALA 12 H ALA 12 -8.648 2.930 7.767 938 HA ALA 12 HA ALA 12 -9.424 5.522 7.136 939 1HB ALA 12 1HB ALA 12 -11.464 5.096 6.239 940 2HB ALA 12 2HB ALA 12 -11.941 5.076 7.937 941 3HB ALA 12 3HB ALA 12 -11.640 3.560 7.087 942 H PHE 13 H PHE 13 -9.691 6.776 8.977 943 HA PHE 13 HA PHE 13 -9.775 5.339 11.541 944 1HB PHE 13 2HB PHE 13 -7.474 6.428 10.595 945 2HB PHE 13 1HB PHE 13 -8.130 7.791 11.491 946 HD1 PHE 13 1HD PHE 13 -7.065 4.270 11.774 947 HD2 PHE 13 2HD PHE 13 -8.094 7.842 13.845 948 HE1 PHE 13 1HE PHE 13 -6.229 3.291 13.871 949 HE2 PHE 13 2HE PHE 13 -7.259 6.870 15.946 950 HZ PHE 13 HZ PHE 13 -6.325 4.591 15.960 951 H VAL 14 H VAL 14 -9.555 8.778 10.586 952 HA VAL 14 HA VAL 14 -12.121 9.207 11.976 953 HB VAL 14 HB VAL 14 -9.828 11.170 11.967 954 1HG1 VAL 14 1HG1 VAL 14 -12.363 11.807 12.264 955 2HG1 VAL 14 2HG1 VAL 14 -11.117 12.542 13.272 956 3HG1 VAL 14 3HG1 VAL 14 -12.090 11.214 13.902 957 1HG2 VAL 14 1HG2 VAL 14 -8.920 9.632 13.375 958 2HG2 VAL 14 2HG2 VAL 14 -10.484 8.935 13.802 959 3HG2 VAL 14 3HG2 VAL 14 -9.968 10.457 14.528 960 H ALA 15 H ALA 15 -13.199 9.117 9.950 961 HA ALA 15 HA ALA 15 -13.762 11.528 8.741 962 1HB ALA 15 1HB ALA 15 -11.304 10.415 7.729 963 2HB ALA 15 2HB ALA 15 -12.066 11.963 7.365 964 3HB ALA 15 3HB ALA 15 -12.504 10.527 6.441 965 H ASP 16 H ASP 16 -15.716 10.241 9.218 966 HA ASP 16 HA ASP 16 -16.334 7.965 7.593 967 1HB ASP 16 2HB ASP 16 -17.326 8.416 9.861 968 2HB ASP 16 1HB ASP 16 -18.263 9.716 9.131 969 H ASP 17 H ASP 17 -17.564 11.308 7.681 970 HA ASP 17 HA ASP 17 -19.182 11.186 5.423 971 1HB ASP 17 2HB ASP 17 -18.905 13.069 7.189 972 2HB ASP 17 1HB ASP 17 -17.638 13.668 6.122 973 H VAL 18 H VAL 18 -15.737 11.750 5.740 974 HA VAL 18 HA VAL 18 -15.363 12.329 2.936 975 HB VAL 18 HB VAL 18 -13.231 11.640 4.956 976 1HG1 VAL 18 1HG1 VAL 18 -13.265 12.632 2.183 977 2HG1 VAL 18 2HG1 VAL 18 -12.045 11.688 3.038 978 3HG1 VAL 18 3HG1 VAL 18 -12.133 13.434 3.273 979 1HG2 VAL 18 1HG2 VAL 18 -14.372 14.354 4.306 980 2HG2 VAL 18 2HG2 VAL 18 -13.003 14.032 5.368 981 3HG2 VAL 18 3HG2 VAL 18 -14.614 13.467 5.811 982 H SER 19 H SER 19 -15.132 9.586 5.091 983 HA SER 19 HA SER 19 -13.645 7.832 3.523 984 1HB SER 19 2HB SER 19 -14.039 7.124 5.726 985 2HB SER 19 1HB SER 19 -15.775 7.410 5.604 986 HG SER 19 HG SER 19 -14.335 5.188 4.990 987 H ASN 20 H ASN 20 -17.155 8.388 3.595 988 HA ASN 20 HA ASN 20 -17.753 6.424 1.633 989 1HB ASN 20 2HB ASN 20 -19.961 7.375 1.558 990 2HB ASN 20 1HB ASN 20 -19.416 7.400 3.231 991 1HD2 ASN 20 1HD2 ASN 20 -19.482 9.261 4.298 992 2HD2 ASN 20 2HD2 ASN 20 -19.791 10.806 3.591 993 H ILE 21 H ILE 21 -17.105 9.901 1.411 994 HA ILE 21 HA ILE 21 -17.727 10.328 -1.270 995 HB ILE 21 HB ILE 21 -15.526 11.582 0.393 996 1HG1 ILE 21 2HG1 ILE 21 -18.219 12.738 -0.291 997 2HG1 ILE 21 1HG1 ILE 21 -17.952 11.762 1.149 998 1HG2 ILE 21 1HG2 ILE 21 -15.534 13.434 -1.178 999 2HG2 ILE 21 2HG2 ILE 21 -16.733 12.609 -2.173 1000 3HG2 ILE 21 3HG2 ILE 21 -15.115 11.932 -2.002 1001 1HD1 ILE 21 1HD1 ILE 21 -17.101 14.512 0.531 1002 2HD1 ILE 21 2HD1 ILE 21 -15.976 13.517 1.456 1003 3HD1 ILE 21 3HD1 ILE 21 -17.611 13.792 2.058 1004 H ILE 22 H ILE 22 -14.724 9.124 0.192 1005 HA ILE 22 HA ILE 22 -13.240 9.023 -2.215 1006 HB ILE 22 HB ILE 22 -12.833 7.163 0.120 1007 1HG1 ILE 22 2HG1 ILE 22 -11.216 9.619 0.057 1008 2HG1 ILE 22 1HG1 ILE 22 -12.919 9.891 0.405 1009 1HG2 ILE 22 1HG2 ILE 22 -11.359 6.456 -1.466 1010 2HG2 ILE 22 2HG2 ILE 22 -10.383 7.707 -0.697 1011 3HG2 ILE 22 3HG2 ILE 22 -11.222 8.050 -2.210 1012 1HD1 ILE 22 1HD1 ILE 22 -12.324 9.480 2.517 1013 2HD1 ILE 22 2HD1 ILE 22 -10.836 8.663 2.040 1014 3HD1 ILE 22 3HD1 ILE 22 -12.364 7.787 2.026 1015 H LYS 23 H LYS 23 -14.918 6.450 -0.407 1016 HA LYS 23 HA LYS 23 -14.451 4.409 -2.230 1017 1HB LYS 23 2HB LYS 23 -16.741 4.766 -0.325 1018 2HB LYS 23 1HB LYS 23 -16.293 3.251 -1.097 1019 1HG LYS 23 2HG LYS 23 -14.171 3.249 0.011 1020 2HG LYS 23 1HG LYS 23 -14.485 4.846 0.687 1021 1HD LYS 23 2HD LYS 23 -15.965 2.292 1.307 1022 2HD LYS 23 1HD LYS 23 -14.876 3.181 2.356 1023 1HE LYS 23 2HE LYS 23 -16.435 5.099 2.301 1024 2HE LYS 23 1HE LYS 23 -17.553 4.115 1.360 1025 1HZ LYS 23 1HZ LYS 23 -17.484 2.503 3.262 1026 2HZ LYS 23 2HZ LYS 23 -18.240 3.978 3.594 1027 3HZ LYS 23 3HZ LYS 23 -16.672 3.689 4.156 1028 H GLU 24 H GLU 24 -17.376 6.324 -1.788 1029 HA GLU 24 HA GLU 24 -18.798 5.285 -3.955 1030 1HB GLU 24 2HB GLU 24 -18.974 7.698 -2.283 1031 2HB GLU 24 1HB GLU 24 -19.636 7.915 -3.889 1032 1HG GLU 24 2HG GLU 24 -21.509 7.094 -3.003 1033 2HG GLU 24 1HG GLU 24 -20.720 5.526 -3.177 1034 H SER 25 H SER 25 -16.324 7.763 -3.838 1035 HA SER 25 HA SER 25 -16.679 8.605 -6.546 1036 1HB SER 25 2HB SER 25 -14.462 9.009 -4.531 1037 2HB SER 25 1HB SER 25 -14.371 9.640 -6.176 1038 HG SER 25 HG SER 25 -15.231 11.219 -4.844 1039 H ILE 26 H ILE 26 -14.294 6.420 -4.947 1040 HA ILE 26 HA ILE 26 -12.859 5.808 -7.301 1041 HB ILE 26 HB ILE 26 -13.182 4.379 -4.677 1042 1HG1 ILE 26 2HG1 ILE 26 -10.535 4.540 -5.139 1043 2HG1 ILE 26 1HG1 ILE 26 -11.091 5.881 -6.132 1044 1HG2 ILE 26 1HG2 ILE 26 -11.283 2.822 -5.807 1045 2HG2 ILE 26 2HG2 ILE 26 -12.330 3.088 -7.198 1046 3HG2 ILE 26 3HG2 ILE 26 -12.987 2.376 -5.725 1047 1HD1 ILE 26 1HD1 ILE 26 -11.963 5.598 -3.293 1048 2HD1 ILE 26 2HD1 ILE 26 -11.920 7.039 -4.304 1049 3HD1 ILE 26 3HD1 ILE 26 -10.419 6.337 -3.709 1050 H ASP 27 H ASP 27 -15.732 4.454 -5.843 1051 HA ASP 27 HA ASP 27 -16.158 2.219 -7.400 1052 1HB ASP 27 2HB ASP 27 -17.626 2.575 -5.589 1053 2HB ASP 27 1HB ASP 27 -17.958 4.223 -6.063 1054 H ALA 28 H ALA 28 -16.802 5.603 -8.091 1055 HA ALA 28 HA ALA 28 -17.853 5.016 -10.746 1056 1HB ALA 28 1HB ALA 28 -17.328 7.792 -9.810 1057 2HB ALA 28 2HB ALA 28 -18.589 6.862 -9.000 1058 3HB ALA 28 3HB ALA 28 -18.683 7.149 -10.738 1059 H VAL 29 H VAL 29 -15.034 6.506 -9.261 1060 HA VAL 29 HA VAL 29 -13.846 7.410 -11.668 1061 HB VAL 29 HB VAL 29 -13.334 7.485 -8.802 1062 1HG1 VAL 29 1HG1 VAL 29 -10.901 8.384 -9.469 1063 2HG1 VAL 29 2HG1 VAL 29 -11.000 6.951 -10.472 1064 3HG1 VAL 29 3HG1 VAL 29 -11.219 6.832 -8.727 1065 1HG2 VAL 29 1HG2 VAL 29 -13.882 9.251 -10.804 1066 2HG2 VAL 29 2HG2 VAL 29 -12.203 9.580 -10.412 1067 3HG2 VAL 29 3HG2 VAL 29 -13.426 9.648 -9.151 1068 H LEU 30 H LEU 30 -14.151 4.325 -10.338 1069 HA LEU 30 HA LEU 30 -11.874 3.387 -11.938 1070 1HB LEU 30 2HB LEU 30 -12.952 2.339 -9.333 1071 2HB LEU 30 1HB LEU 30 -11.934 1.371 -10.378 1072 HG LEU 30 HG LEU 30 -10.684 2.479 -8.526 1073 1HD1 LEU 30 1HD1 LEU 30 -9.870 3.592 -11.176 1074 2HD1 LEU 30 2HD1 LEU 30 -9.695 1.887 -10.773 1075 3HD1 LEU 30 3HD1 LEU 30 -8.839 3.112 -9.833 1076 1HD2 LEU 30 1HD2 LEU 30 -12.154 4.650 -8.912 1077 2HD2 LEU 30 2HD2 LEU 30 -10.818 5.052 -9.980 1078 3HD2 LEU 30 3HD2 LEU 30 -10.517 4.731 -8.275 1079 H GLN 31 H GLN 31 -15.282 2.895 -11.068 1080 HA GLN 31 HA GLN 31 -15.449 0.624 -12.895 1081 1HB GLN 31 2HB GLN 31 -16.667 0.802 -10.632 1082 2HB GLN 31 1HB GLN 31 -17.780 1.855 -11.484 1083 1HG GLN 31 2HG GLN 31 -18.392 0.155 -12.989 1084 2HG GLN 31 1HG GLN 31 -17.129 -0.900 -12.379 1085 1HE2 GLN 31 1HE2 GLN 31 -19.779 1.016 -11.013 1086 2HE2 GLN 31 2HE2 GLN 31 -20.394 -0.239 -9.998 1087 H ASN 32 H ASN 32 -15.828 4.018 -13.073 1088 HA ASN 32 HA ASN 32 -17.933 4.542 -14.700 1089 1HB ASN 32 2HB ASN 32 -16.344 6.220 -15.885 1090 2HB ASN 32 1HB ASN 32 -16.662 6.415 -14.168 1091 1HD2 ASN 32 1HD2 ASN 32 -14.621 7.694 -14.489 1092 2HD2 ASN 32 2HD2 ASN 32 -13.127 6.858 -14.260 1093 H GLN 33 H GLN 33 -15.046 2.807 -15.637 1094 HA GLN 33 HA GLN 33 -16.339 1.976 -18.086 1095 1HB GLN 33 2HB GLN 33 -14.811 4.203 -18.301 1096 2HB GLN 33 1HB GLN 33 -13.594 2.963 -18.571 1097 1HG GLN 33 2HG GLN 33 -14.369 2.478 -20.604 1098 2HG GLN 33 1HG GLN 33 -16.050 2.522 -20.077 1099 1HE2 GLN 33 1HE2 GLN 33 -16.768 4.852 -19.503 1100 2HE2 GLN 33 2HE2 GLN 33 -16.376 6.050 -20.685 1101 H GLN 34 H GLN 34 -14.134 0.854 -19.363 1102 HA GLN 34 HA GLN 34 -13.679 -1.435 -17.673 1103 1HB GLN 34 2HB GLN 34 -14.103 -1.384 -20.236 1104 2HB GLN 34 1HB GLN 34 -12.388 -1.016 -20.352 1105 1HG GLN 34 2HG GLN 34 -11.757 -3.083 -19.499 1106 2HG GLN 34 1HG GLN 34 -13.345 -3.383 -18.794 1107 1HE2 GLN 34 1HE2 GLN 34 -11.339 -4.297 -21.182 1108 2HE2 GLN 34 2HE2 GLN 34 -12.483 -4.874 -22.341 1109 H TYR 35 H TYR 35 -11.440 -2.389 -17.549 1110 HA TYR 35 HA TYR 35 -9.733 -0.632 -16.191 1111 1HB TYR 35 2HB TYR 35 -9.782 -3.054 -15.792 1112 2HB TYR 35 1HB TYR 35 -9.111 -3.330 -17.394 1113 HD1 TYR 35 1HD TYR 35 -6.788 -2.283 -17.872 1114 HD2 TYR 35 2HD TYR 35 -8.367 -2.836 -13.960 1115 HE1 TYR 35 1HE TYR 35 -4.513 -2.166 -16.943 1116 HE2 TYR 35 2HE TYR 35 -6.098 -2.717 -13.020 1117 HH TYR 35 HH TYR 35 -3.759 -1.505 -14.002 1118 H SER 36 H SER 36 -8.656 1.049 -17.121 1119 HA SER 36 HA SER 36 -7.330 0.482 -19.712 1120 1HB SER 36 2HB SER 36 -8.901 2.806 -18.771 1121 2HB SER 36 1HB SER 36 -7.423 3.196 -19.650 1122 HG SER 36 HG SER 36 -9.777 2.152 -20.563 1123 H GLU 37 H GLU 37 -5.147 0.897 -19.875 1124 HA GLU 37 HA GLU 37 -3.699 1.216 -17.444 1125 1HB GLU 37 2HB GLU 37 -2.820 -0.076 -19.370 1126 2HB GLU 37 1HB GLU 37 -2.644 1.428 -20.266 1127 1HG GLU 37 2HG GLU 37 -0.650 1.736 -19.369 1128 2HG GLU 37 1HG GLU 37 -1.369 1.775 -17.768 1129 H ALA 38 H ALA 38 -4.438 3.349 -20.158 1130 HA ALA 38 HA ALA 38 -2.870 5.544 -19.334 1131 1HB ALA 38 1HB ALA 38 -4.062 6.811 -20.903 1132 2HB ALA 38 2HB ALA 38 -5.508 5.814 -20.738 1133 3HB ALA 38 3HB ALA 38 -4.084 5.175 -21.560 1134 H LYS 39 H LYS 39 -5.930 4.278 -18.322 1135 HA LYS 39 HA LYS 39 -6.571 6.594 -16.686 1136 1HB LYS 39 2HB LYS 39 -8.003 4.354 -17.883 1137 2HB LYS 39 1HB LYS 39 -8.469 4.639 -16.220 1138 1HG LYS 39 2HG LYS 39 -9.907 5.828 -17.752 1139 2HG LYS 39 1HG LYS 39 -8.993 6.955 -16.751 1140 1HD LYS 39 2HD LYS 39 -8.703 7.925 -18.795 1141 2HD LYS 39 1HD LYS 39 -7.314 6.836 -18.780 1142 1HE LYS 39 2HE LYS 39 -8.258 5.392 -20.297 1143 2HE LYS 39 1HE LYS 39 -9.905 5.842 -19.859 1144 1HZ LYS 39 1HZ LYS 39 -8.841 6.633 -22.097 1145 2HZ LYS 39 2HZ LYS 39 -8.199 7.860 -21.126 1146 3HZ LYS 39 3HZ LYS 39 -9.874 7.651 -21.225 1147 H VAL 40 H VAL 40 -5.010 3.554 -16.396 1148 HA VAL 40 HA VAL 40 -5.675 2.654 -13.898 1149 HB VAL 40 HB VAL 40 -3.358 2.372 -15.683 1150 1HG1 VAL 40 1HG1 VAL 40 -2.922 2.139 -12.745 1151 2HG1 VAL 40 2HG1 VAL 40 -1.846 2.758 -13.999 1152 3HG1 VAL 40 3HG1 VAL 40 -2.118 1.022 -13.849 1153 1HG2 VAL 40 1HG2 VAL 40 -4.616 0.320 -13.905 1154 2HG2 VAL 40 2HG2 VAL 40 -3.764 0.079 -15.430 1155 3HG2 VAL 40 3HG2 VAL 40 -5.348 0.852 -15.418 1156 H SER 41 H SER 41 -3.717 5.441 -14.700 1157 HA SER 41 HA SER 41 -3.249 5.922 -11.827 1158 1HB SER 41 2HB SER 41 -1.710 6.721 -14.284 1159 2HB SER 41 1HB SER 41 -1.558 7.658 -12.798 1160 HG SER 41 HG SER 41 -0.259 5.493 -13.393 1161 H GLN 42 H GLN 42 -4.617 7.204 -14.759 1162 HA GLN 42 HA GLN 42 -5.137 9.812 -13.758 1163 1HB GLN 42 2HB GLN 42 -5.779 8.280 -16.178 1164 2HB GLN 42 1HB GLN 42 -7.034 9.417 -15.711 1165 1HG GLN 42 2HG GLN 42 -5.403 10.326 -17.325 1166 2HG GLN 42 1HG GLN 42 -5.503 11.243 -15.825 1167 1HE2 GLN 42 1HE2 GLN 42 -3.605 8.886 -17.603 1168 2HE2 GLN 42 2HE2 GLN 42 -2.103 9.222 -16.816 1169 H TRP 43 H TRP 43 -6.745 6.740 -13.653 1170 HA TRP 43 HA TRP 43 -9.335 7.254 -12.975 1171 1HB TRP 43 2HB TRP 43 -7.303 5.226 -12.107 1172 2HB TRP 43 1HB TRP 43 -8.824 5.285 -11.236 1173 HD1 TRP 43 HD TRP 43 -10.200 5.964 -14.370 1174 HE1 TRP 43 1HE TRP 43 -10.824 3.875 -15.671 1175 HE3 TRP 43 3HE TRP 43 -7.347 2.563 -11.851 1176 HZ2 TRP 43 2HZ TRP 43 -10.205 1.143 -15.673 1177 HZ3 TRP 43 3HZ TRP 43 -7.415 0.215 -12.580 1178 HH2 TRP 43 HH TRP 43 -8.815 -0.484 -14.452 1179 H THR 44 H THR 44 -6.780 6.705 -10.597 1180 HA THR 44 HA THR 44 -8.157 7.673 -8.386 1181 HB THR 44 HB THR 44 -5.876 6.327 -8.717 1182 HG1 THR 44 1HG THR 44 -6.455 6.148 -6.728 1183 1HG2 THR 44 1HG2 THR 44 -4.913 9.070 -7.963 1184 2HG2 THR 44 2HG2 THR 44 -4.471 8.154 -9.404 1185 3HG2 THR 44 3HG2 THR 44 -3.988 7.576 -7.809 1186 H SER 45 H SER 45 -6.488 9.396 -10.872 1187 HA SER 45 HA SER 45 -6.170 11.838 -9.412 1188 1HB SER 45 2HB SER 45 -5.549 10.869 -12.068 1189 2HB SER 45 1HB SER 45 -6.287 12.467 -12.153 1190 HG SER 45 HG SER 45 -3.804 11.816 -11.427 1191 H SER 46 H SER 46 -8.551 10.444 -11.574 1192 HA SER 46 HA SER 46 -10.252 12.703 -11.739 1193 1HB SER 46 2HB SER 46 -10.334 9.877 -12.527 1194 2HB SER 46 1HB SER 46 -11.908 10.519 -12.074 1195 HG SER 46 HG SER 46 -11.748 11.039 -14.166 1196 H CYS 47 H CYS 47 -9.872 10.084 -9.453 1197 HA CYS 47 HA CYS 47 -12.248 10.603 -7.980 1198 1HB CYS 47 2HB CYS 47 -10.093 8.755 -7.793 1199 2HB CYS 47 1HB CYS 47 -10.182 9.605 -6.271 1200 HG CYS 47 HG CYS 47 -12.464 8.656 -5.816 1201 H LEU 48 H LEU 48 -8.945 11.742 -7.891 1202 HA LEU 48 HA LEU 48 -9.088 13.242 -5.538 1203 1HB LEU 48 2HB LEU 48 -7.320 13.056 -7.870 1204 2HB LEU 48 1HB LEU 48 -7.361 14.654 -7.168 1205 HG LEU 48 HG LEU 48 -6.181 14.033 -5.337 1206 1HD1 LEU 48 1HD1 LEU 48 -7.531 11.354 -5.496 1207 2HD1 LEU 48 2HD1 LEU 48 -7.739 12.612 -4.284 1208 3HD1 LEU 48 3HD1 LEU 48 -6.230 11.715 -4.362 1209 1HD2 LEU 48 1HD2 LEU 48 -4.633 13.426 -6.958 1210 2HD2 LEU 48 2HD2 LEU 48 -5.517 11.962 -7.388 1211 3HD2 LEU 48 3HD2 LEU 48 -4.659 12.054 -5.851 1212 H GLU 49 H GLU 49 -10.096 13.919 -8.823 1213 HA GLU 49 HA GLU 49 -10.766 16.634 -8.165 1214 1HB GLU 49 2HB GLU 49 -10.187 15.803 -10.512 1215 2HB GLU 49 1HB GLU 49 -11.845 15.201 -10.559 1216 1HG GLU 49 2HG GLU 49 -12.499 17.551 -9.809 1217 2HG GLU 49 1HG GLU 49 -10.887 18.026 -10.308 1218 H HIS 50 H HIS 50 -12.339 13.531 -8.276 1219 HA HIS 50 HA HIS 50 -14.970 14.626 -7.796 1220 1HB HIS 50 2HB HIS 50 -13.865 11.833 -7.993 1221 2HB HIS 50 1HB HIS 50 -15.510 12.130 -7.441 1222 HD1 HIS 50 1HD HIS 50 -16.961 13.659 -9.248 1223 HD2 HIS 50 2HD HIS 50 -13.681 11.544 -10.673 1224 HE1 HIS 50 1HE HIS 50 -17.298 13.492 -11.734 1225 HE2 HIS 50 2HE HIS 50 -15.256 12.285 -12.586 1226 H CYS 51 H CYS 51 -12.331 14.377 -5.865 1227 HA CYS 51 HA CYS 51 -13.868 13.683 -3.459 1228 1HB CYS 51 2HB CYS 51 -11.549 12.551 -4.135 1229 2HB CYS 51 1HB CYS 51 -10.882 14.014 -3.423 1230 HG CYS 51 HG CYS 51 -12.231 11.725 -1.895 1231 H ILE 52 H ILE 52 -11.622 15.952 -4.909 1232 HA ILE 52 HA ILE 52 -11.652 17.872 -2.830 1233 HB ILE 52 HB ILE 52 -9.869 17.804 -4.451 1234 1HG1 ILE 52 2HG1 ILE 52 -10.503 19.994 -3.442 1235 2HG1 ILE 52 1HG1 ILE 52 -9.570 20.075 -4.927 1236 1HG2 ILE 52 1HG2 ILE 52 -11.774 17.322 -6.325 1237 2HG2 ILE 52 2HG2 ILE 52 -10.075 17.654 -6.639 1238 3HG2 ILE 52 3HG2 ILE 52 -11.255 18.955 -6.725 1239 1HD1 ILE 52 1HD1 ILE 52 -12.117 21.199 -4.300 1240 2HD1 ILE 52 2HD1 ILE 52 -12.214 20.166 -5.723 1241 3HD1 ILE 52 3HD1 ILE 52 -11.058 21.494 -5.677 1242 H LYS 53 H LYS 53 -13.630 17.278 -5.665 1243 HA LYS 53 HA LYS 53 -15.063 19.752 -5.491 1244 1HB LYS 53 2HB LYS 53 -15.237 17.289 -7.157 1245 2HB LYS 53 1HB LYS 53 -16.671 18.286 -7.040 1246 1HG LYS 53 2HG LYS 53 -15.132 18.670 -9.021 1247 2HG LYS 53 1HG LYS 53 -15.652 20.087 -8.131 1248 1HD LYS 53 2HD LYS 53 -13.209 19.090 -7.016 1249 2HD LYS 53 1HD LYS 53 -13.030 19.283 -8.750 1250 1HE LYS 53 2HE LYS 53 -12.383 21.303 -7.485 1251 2HE LYS 53 1HE LYS 53 -13.697 21.592 -8.618 1252 1HZ LYS 53 1HZ LYS 53 -14.234 22.686 -6.609 1253 2HZ LYS 53 2HZ LYS 53 -13.888 21.323 -5.673 1254 3HZ LYS 53 3HZ LYS 53 -15.239 21.329 -6.687 1255 H ARG 54 H ARG 54 -15.489 16.498 -4.326 1256 HA ARG 54 HA ARG 54 -18.206 16.865 -3.486 1257 1HB ARG 54 2HB ARG 54 -16.566 14.689 -3.910 1258 2HB ARG 54 1HB ARG 54 -16.709 14.727 -2.160 1259 1HG ARG 54 2HG ARG 54 -18.995 14.649 -4.114 1260 2HG ARG 54 1HG ARG 54 -18.397 13.294 -3.158 1261 1HD ARG 54 2HD ARG 54 -19.403 14.016 -1.279 1262 2HD ARG 54 1HD ARG 54 -19.079 15.705 -1.627 1263 HE ARG 54 HE ARG 54 -21.187 15.864 -2.459 1264 1HH1 ARG 54 1HH1 ARG 54 -20.227 12.504 -2.625 1265 2HH1 ARG 54 2HH1 ARG 54 -21.766 11.971 -3.213 1266 1HH2 ARG 54 1HH2 ARG 54 -23.203 15.154 -3.231 1267 2HH2 ARG 54 2HH2 ARG 54 -23.453 13.472 -3.556 1268 H LEU 55 H LEU 55 -15.061 16.802 -1.881 1269 HA LEU 55 HA LEU 55 -15.950 17.050 0.752 1270 1HB LEU 55 2HB LEU 55 -13.399 17.872 -0.608 1271 2HB LEU 55 1HB LEU 55 -13.646 18.095 1.117 1272 HG LEU 55 HG LEU 55 -13.755 15.448 -0.329 1273 1HD1 LEU 55 1HD1 LEU 55 -11.502 16.749 0.090 1274 2HD1 LEU 55 2HD1 LEU 55 -11.628 15.007 0.336 1275 3HD1 LEU 55 3HD1 LEU 55 -11.713 16.102 1.717 1276 1HD2 LEU 55 1HD2 LEU 55 -14.082 16.209 2.555 1277 2HD2 LEU 55 2HD2 LEU 55 -13.733 14.567 2.016 1278 3HD2 LEU 55 3HD2 LEU 55 -15.225 15.362 1.515 1279 H THR 56 H THR 56 -15.194 19.532 -1.639 1280 HA THR 56 HA THR 56 -15.633 21.724 0.107 1281 HB THR 56 HB THR 56 -15.571 23.095 -1.868 1282 HG1 THR 56 1HG THR 56 -16.287 22.412 -3.711 1283 1HG2 THR 56 1HG2 THR 56 -13.657 20.877 -1.639 1284 2HG2 THR 56 2HG2 THR 56 -13.384 22.618 -1.701 1285 3HG2 THR 56 3HG2 THR 56 -13.674 21.718 -3.188 1286 H ALA 57 H ALA 57 -17.684 19.707 -1.871 1287 HA ALA 57 HA ALA 57 -20.006 21.325 -1.861 1288 1HB ALA 57 1HB ALA 57 -20.960 18.753 -1.930 1289 2HB ALA 57 2HB ALA 57 -19.317 18.556 -2.541 1290 3HB ALA 57 3HB ALA 57 -20.425 19.673 -3.336 1291 H LEU 58 H LEU 58 -18.677 18.905 0.309 1292 HA LEU 58 HA LEU 58 -20.894 19.009 2.143 1293 1HB LEU 58 2HB LEU 58 -18.406 17.479 1.813 1294 2HB LEU 58 1HB LEU 58 -18.858 17.767 3.478 1295 HG LEU 58 HG LEU 58 -19.745 15.649 2.832 1296 1HD1 LEU 58 1HD1 LEU 58 -21.837 15.914 3.660 1297 2HD1 LEU 58 2HD1 LEU 58 -22.218 17.251 2.575 1298 3HD1 LEU 58 3HD1 LEU 58 -21.222 17.531 4.003 1299 1HD2 LEU 58 1HD2 LEU 58 -21.460 16.770 0.687 1300 2HD2 LEU 58 2HD2 LEU 58 -20.766 15.158 0.859 1301 3HD2 LEU 58 3HD2 LEU 58 -19.757 16.499 0.319 1302 H ASN 59 H ASN 59 -17.951 20.731 1.644 1303 HA ASN 59 HA ASN 59 -16.774 22.262 2.821 1304 1HB ASN 59 2HB ASN 59 -18.101 24.038 3.838 1305 2HB ASN 59 1HB ASN 59 -18.801 23.534 2.306 1306 1HD2 ASN 59 1HD2 ASN 59 -20.716 22.299 2.326 1307 2HD2 ASN 59 2HD2 ASN 59 -21.777 22.322 3.689 1308 H LYS 60 H LYS 60 -15.616 20.803 4.120 1309 HA LYS 60 HA LYS 60 -15.584 21.360 6.832 1310 1HB LYS 60 2HB LYS 60 -16.337 19.126 7.745 1311 2HB LYS 60 1HB LYS 60 -17.620 20.175 7.157 1312 1HG LYS 60 2HG LYS 60 -17.265 18.824 4.933 1313 2HG LYS 60 1HG LYS 60 -16.587 17.623 6.035 1314 1HD LYS 60 2HD LYS 60 -19.314 18.878 6.339 1315 2HD LYS 60 1HD LYS 60 -19.013 17.311 5.585 1316 1HE LYS 60 2HE LYS 60 -18.586 16.288 7.565 1317 2HE LYS 60 1HE LYS 60 -17.864 17.731 8.277 1318 1HZ LYS 60 1HZ LYS 60 -20.204 16.830 9.033 1319 2HZ LYS 60 2HZ LYS 60 -20.737 17.780 7.739 1320 3HZ LYS 60 3HZ LYS 60 -19.862 18.488 9.001 1321 HA PRO 61 HA PRO 61 -14.058 21.795 7.848 1322 1HB PRO 61 2HB PRO 61 -11.301 22.373 7.872 1323 2HB PRO 61 1HB PRO 61 -12.227 21.568 9.132 1324 1HG PRO 61 2HG PRO 61 -10.221 20.405 7.568 1325 2HG PRO 61 1HG PRO 61 -11.398 19.540 8.569 1326 1HD PRO 61 2HD PRO 61 -11.398 20.026 5.629 1327 2HD PRO 61 1HD PRO 61 -11.998 18.628 6.547 1328 H PHE 62 H PHE 62 -11.147 22.355 5.885 1329 HA PHE 62 HA PHE 62 -12.607 24.246 4.210 1330 1HB PHE 62 2HB PHE 62 -11.818 25.597 6.084 1331 2HB PHE 62 1HB PHE 62 -10.178 25.009 5.847 1332 HD1 PHE 62 1HD PHE 62 -12.820 27.171 4.516 1333 HD2 PHE 62 2HD PHE 62 -8.790 25.872 4.091 1334 HE1 PHE 62 1HE PHE 62 -12.386 29.039 2.973 1335 HE2 PHE 62 2HE PHE 62 -8.347 27.737 2.548 1336 HZ PHE 62 HZ PHE 62 -10.147 29.323 1.988 1337 H LYS 63 H LYS 63 -9.121 23.747 4.770 1338 HA LYS 63 HA LYS 63 -8.652 23.502 1.951 1339 1HB LYS 63 2HB LYS 63 -7.110 24.403 3.945 1340 2HB LYS 63 1HB LYS 63 -6.535 22.742 3.894 1341 1HG LYS 63 2HG LYS 63 -5.834 22.962 1.637 1342 2HG LYS 63 1HG LYS 63 -6.654 24.515 1.471 1343 1HD LYS 63 2HD LYS 63 -4.455 24.085 3.472 1344 2HD LYS 63 1HD LYS 63 -4.118 24.545 1.803 1345 1HE LYS 63 2HE LYS 63 -6.181 26.204 2.996 1346 2HE LYS 63 1HE LYS 63 -4.678 26.255 3.913 1347 1HZ LYS 63 1HZ LYS 63 -4.334 26.472 1.056 1348 2HZ LYS 63 2HZ LYS 63 -3.644 27.381 2.304 1349 3HZ LYS 63 3HZ LYS 63 -5.196 27.754 1.749 1350 H TYR 64 H TYR 64 -9.296 21.704 0.952 1351 HA TYR 64 HA TYR 64 -8.859 19.128 2.295 1352 1HB TYR 64 2HB TYR 64 -10.447 19.348 -0.227 1353 2HB TYR 64 1HB TYR 64 -10.651 18.248 1.130 1354 HD1 TYR 64 1HD TYR 64 -11.339 19.471 3.403 1355 HD2 TYR 64 2HD TYR 64 -12.009 21.020 -0.502 1356 HE1 TYR 64 1HE TYR 64 -13.125 20.910 4.286 1357 HE2 TYR 64 2HE TYR 64 -13.800 22.462 0.371 1358 HH TYR 64 HH TYR 64 -14.240 23.070 3.632 1359 H VAL 65 H VAL 65 -6.976 18.253 1.793 1360 HA VAL 65 HA VAL 65 -6.031 18.423 -0.983 1361 HB VAL 65 HB VAL 65 -4.397 19.381 0.499 1362 1HG1 VAL 65 1HG1 VAL 65 -4.519 18.744 2.632 1363 2HG1 VAL 65 2HG1 VAL 65 -3.422 17.443 2.161 1364 3HG1 VAL 65 3HG1 VAL 65 -5.152 17.171 2.200 1365 1HG2 VAL 65 1HG2 VAL 65 -3.686 17.713 -1.317 1366 2HG2 VAL 65 2HG2 VAL 65 -3.317 16.637 0.031 1367 3HG2 VAL 65 3HG2 VAL 65 -2.500 18.194 -0.104 1368 H VAL 66 H VAL 66 -7.122 16.696 -1.842 1369 HA VAL 66 HA VAL 66 -7.024 14.110 -0.519 1370 HB VAL 66 HB VAL 66 -8.136 14.571 -3.273 1371 1HG1 VAL 66 1HG1 VAL 66 -9.363 12.658 -2.916 1372 2HG1 VAL 66 2HG1 VAL 66 -9.290 12.809 -1.160 1373 3HG1 VAL 66 3HG1 VAL 66 -7.864 12.294 -2.062 1374 1HG2 VAL 66 1HG2 VAL 66 -9.494 16.146 -2.423 1375 2HG2 VAL 66 2HG2 VAL 66 -9.132 15.699 -0.756 1376 3HG2 VAL 66 3HG2 VAL 66 -10.334 14.790 -1.670 1377 H THR 67 H THR 67 -5.573 12.535 -0.991 1378 HA THR 67 HA THR 67 -4.159 12.693 -3.552 1379 HB THR 67 HB THR 67 -2.623 13.712 -2.031 1380 HG1 THR 67 1HG THR 67 -0.985 12.501 -2.589 1381 1HG2 THR 67 1HG2 THR 67 -2.288 11.410 -0.259 1382 2HG2 THR 67 2HG2 THR 67 -3.784 12.318 -0.040 1383 3HG2 THR 67 3HG2 THR 67 -2.229 13.138 0.087 1384 H CYS 68 H CYS 68 -3.802 10.827 -4.548 1385 HA CYS 68 HA CYS 68 -4.216 8.348 -3.048 1386 1HB CYS 68 2HB CYS 68 -5.537 8.977 -5.688 1387 2HB CYS 68 1HB CYS 68 -5.677 7.489 -4.794 1388 HG CYS 68 HG CYS 68 -7.732 9.179 -4.438 1389 H ILE 69 H ILE 69 -2.813 6.796 -3.519 1390 HA ILE 69 HA ILE 69 -1.053 7.178 -5.849 1391 HB ILE 69 HB ILE 69 -0.502 5.819 -3.204 1392 1HG1 ILE 69 2HG1 ILE 69 1.343 7.625 -3.209 1393 2HG1 ILE 69 1HG1 ILE 69 0.377 8.399 -4.462 1394 1HG2 ILE 69 1HG2 ILE 69 0.630 4.561 -4.907 1395 2HG2 ILE 69 2HG2 ILE 69 1.812 5.537 -4.035 1396 3HG2 ILE 69 3HG2 ILE 69 1.261 6.040 -5.632 1397 1HD1 ILE 69 1HD1 ILE 69 0.094 9.012 -1.924 1398 2HD1 ILE 69 2HD1 ILE 69 -0.970 7.606 -1.939 1399 3HD1 ILE 69 3HD1 ILE 69 -1.290 8.965 -3.017 1400 H ILE 70 H ILE 70 -0.696 5.483 -7.245 1401 HA ILE 70 HA ILE 70 -2.544 3.223 -6.976 1402 HB ILE 70 HB ILE 70 -2.193 2.842 -9.368 1403 1HG1 ILE 70 2HG1 ILE 70 -0.988 5.156 -10.320 1404 2HG1 ILE 70 1HG1 ILE 70 0.008 4.718 -8.935 1405 1HG2 ILE 70 1HG2 ILE 70 -2.842 5.735 -8.843 1406 2HG2 ILE 70 2HG2 ILE 70 -3.944 4.397 -8.520 1407 3HG2 ILE 70 3HG2 ILE 70 -3.421 4.729 -10.171 1408 1HD1 ILE 70 1HD1 ILE 70 0.434 3.783 -11.385 1409 2HD1 ILE 70 2HD1 ILE 70 -0.685 2.547 -10.810 1410 3HD1 ILE 70 3HD1 ILE 70 0.811 2.860 -9.930 1411 H MET 71 H MET 71 -1.895 1.100 -7.156 1412 HA MET 71 HA MET 71 1.010 0.615 -7.081 1413 1HB MET 71 2HB MET 71 -1.180 -0.618 -5.421 1414 2HB MET 71 1HB MET 71 0.395 -1.378 -5.604 1415 1HG MET 71 2HG MET 71 -0.152 1.340 -4.436 1416 2HG MET 71 1HG MET 71 0.286 -0.118 -3.549 1417 1HE MET 71 1HE MET 71 2.989 3.003 -4.211 1418 2HE MET 71 2HE MET 71 2.562 2.137 -2.735 1419 3HE MET 71 3HE MET 71 1.296 2.835 -3.746 1420 H GLN 72 H GLN 72 1.524 -0.293 -8.946 1421 HA GLN 72 HA GLN 72 -0.275 -1.773 -10.563 1422 1HB GLN 72 2HB GLN 72 1.695 -0.481 -11.403 1423 2HB GLN 72 1HB GLN 72 2.741 -1.722 -10.726 1424 1HG GLN 72 2HG GLN 72 2.574 -2.844 -12.619 1425 2HG GLN 72 1HG GLN 72 0.857 -3.077 -12.297 1426 1HE2 GLN 72 1HE2 GLN 72 0.093 -2.909 -14.335 1427 2HE2 GLN 72 2HE2 GLN 72 0.210 -1.483 -15.303 1428 H LYS 73 H LYS 73 -0.884 -3.812 -10.385 1429 HA LYS 73 HA LYS 73 -0.998 -5.992 -9.752 1430 1HB LYS 73 2HB LYS 73 2.021 -5.929 -9.816 1431 2HB LYS 73 1HB LYS 73 0.976 -7.324 -10.044 1432 1HG LYS 73 2HG LYS 73 0.062 -6.062 -12.080 1433 2HG LYS 73 1HG LYS 73 1.494 -5.045 -11.912 1434 1HD LYS 73 2HD LYS 73 2.088 -6.728 -13.455 1435 2HD LYS 73 1HD LYS 73 2.845 -7.193 -11.930 1436 1HE LYS 73 2HE LYS 73 1.867 -9.150 -12.892 1437 2HE LYS 73 1HE LYS 73 0.892 -8.686 -11.499 1438 1HZ LYS 73 1HZ LYS 73 -0.324 -9.321 -13.616 1439 2HZ LYS 73 2HZ LYS 73 0.185 -7.833 -14.241 1440 3HZ LYS 73 3HZ LYS 73 -0.800 -7.881 -12.867 1441 H ASN 74 H ASN 74 0.457 -7.632 -8.149 1442 HA ASN 74 HA ASN 74 0.583 -6.201 -5.577 1443 1HB ASN 74 2HB ASN 74 -0.295 -8.293 -4.524 1444 2HB ASN 74 1HB ASN 74 -1.447 -7.502 -5.596 1445 1HD2 ASN 74 1HD2 ASN 74 -2.271 -9.818 -5.287 1446 2HD2 ASN 74 2HD2 ASN 74 -1.797 -10.948 -6.506 1447 H GLY 75 H GLY 75 2.866 -6.022 -5.834 1448 1HA GLY 75 2HA GLY 75 4.328 -8.110 -4.625 1449 2HA GLY 75 1HA GLY 75 4.610 -8.147 -6.359 1450 H ALA 76 H ALA 76 4.472 -5.316 -6.777 1451 HA ALA 76 HA ALA 76 7.161 -4.630 -6.271 1452 1HB ALA 76 1HB ALA 76 6.278 -3.610 -8.151 1453 2HB ALA 76 2HB ALA 76 6.299 -2.289 -6.983 1454 3HB ALA 76 3HB ALA 76 4.793 -3.140 -7.327 1455 H GLY 77 H GLY 77 8.114 -3.324 -4.767 1456 1HA GLY 77 2HA GLY 77 6.492 -2.738 -2.395 1457 2HA GLY 77 1HA GLY 77 8.245 -2.829 -2.447 1458 H LEU 78 H LEU 78 5.913 -0.750 -1.842 1459 HA LEU 78 HA LEU 78 7.485 1.523 -2.813 1460 1HB LEU 78 2HB LEU 78 5.224 0.869 -4.104 1461 2HB LEU 78 1HB LEU 78 4.538 1.850 -2.823 1462 HG LEU 78 HG LEU 78 4.899 3.230 -4.756 1463 1HD1 LEU 78 1HD1 LEU 78 5.797 5.003 -3.668 1464 2HD1 LEU 78 2HD1 LEU 78 7.198 4.092 -3.105 1465 3HD1 LEU 78 3HD1 LEU 78 5.643 3.911 -2.293 1466 1HD2 LEU 78 1HD2 LEU 78 6.597 1.911 -5.876 1467 2HD2 LEU 78 2HD2 LEU 78 7.770 2.317 -4.623 1468 3HD2 LEU 78 3HD2 LEU 78 7.147 3.576 -5.689 1469 H HIS 79 H HIS 79 7.664 3.186 -1.388 1470 HA HIS 79 HA HIS 79 5.941 3.203 0.977 1471 1HB HIS 79 2HB HIS 79 8.858 2.678 0.926 1472 2HB HIS 79 1HB HIS 79 8.288 3.787 2.170 1473 HD1 HIS 79 1HD HIS 79 7.110 0.396 0.873 1474 HD2 HIS 79 2HD HIS 79 7.776 2.429 4.436 1475 HE1 HIS 79 1HE HIS 79 6.520 -1.232 2.697 1476 HE2 HIS 79 2HE HIS 79 6.844 0.051 4.842 1477 H THR 80 H THR 80 5.140 5.169 1.217 1478 HA THR 80 HA THR 80 6.531 7.445 0.021 1479 HB THR 80 HB THR 80 3.742 7.272 1.179 1480 HG1 THR 80 1HG THR 80 3.288 6.367 -0.640 1481 1HG2 THR 80 1HG2 THR 80 3.592 9.289 -0.548 1482 2HG2 THR 80 2HG2 THR 80 5.270 9.482 -0.040 1483 3HG2 THR 80 3HG2 THR 80 3.976 9.514 1.158 1484 H ALA 81 H ALA 81 6.844 9.413 1.198 1485 HA ALA 81 HA ALA 81 6.651 9.231 4.113 1486 1HB ALA 81 1HB ALA 81 8.915 8.414 3.394 1487 2HB ALA 81 2HB ALA 81 8.933 9.795 4.491 1488 3HB ALA 81 3HB ALA 81 9.224 10.035 2.769 1489 H ALA 82 H ALA 82 6.332 11.188 5.120 1490 HA ALA 82 HA ALA 82 6.848 13.652 3.749 1491 1HB ALA 82 1HB ALA 82 4.730 12.901 2.726 1492 2HB ALA 82 2HB ALA 82 4.627 14.457 3.551 1493 3HB ALA 82 3HB ALA 82 3.979 13.007 4.318 1494 H SER 83 H SER 83 7.413 15.109 5.142 1495 HA SER 83 HA SER 83 6.821 14.737 7.975 1496 1HB SER 83 2HB SER 83 9.144 15.099 7.505 1497 2HB SER 83 1HB SER 83 8.785 16.474 6.471 1498 HG SER 83 HG SER 83 8.652 16.288 9.281 1499 H CYS 84 H CYS 84 5.136 15.786 8.814 1500 HA CYS 84 HA CYS 84 4.251 18.279 7.524 1501 1HB CYS 84 2HB CYS 84 2.073 17.825 8.703 1502 2HB CYS 84 1HB CYS 84 2.507 16.641 7.475 1503 HG CYS 84 HG CYS 84 2.919 16.025 10.496 1504 H TRP 85 H TRP 85 4.230 20.148 8.640 1505 HA TRP 85 HA TRP 85 5.534 20.221 11.193 1506 1HB TRP 85 2HB TRP 85 5.291 21.995 9.124 1507 2HB TRP 85 1HB TRP 85 4.156 22.665 10.291 1508 HD1 TRP 85 HD TRP 85 7.790 21.305 10.465 1509 HE1 TRP 85 1HE TRP 85 9.160 22.900 11.938 1510 HE3 TRP 85 3HE TRP 85 4.114 24.640 11.683 1511 HZ2 TRP 85 2HZ TRP 85 8.743 25.265 13.428 1512 HZ3 TRP 85 3HZ TRP 85 4.681 26.541 13.138 1513 HH2 TRP 85 HH TRP 85 6.948 26.846 13.992 1514 H TRP 86 H TRP 86 2.251 20.468 10.010 1515 HA TRP 86 HA TRP 86 1.288 20.603 12.788 1516 1HB TRP 86 2HB TRP 86 0.107 21.783 10.272 1517 2HB TRP 86 1HB TRP 86 -0.813 21.601 11.762 1518 HD1 TRP 86 HD TRP 86 1.870 23.737 10.149 1519 HE1 TRP 86 1HE TRP 86 2.374 25.746 11.671 1520 HE3 TRP 86 3HE TRP 86 -0.766 22.298 14.276 1521 HZ2 TRP 86 2HZ TRP 86 1.738 26.610 14.286 1522 HZ3 TRP 86 3HZ TRP 86 -0.769 23.770 16.250 1523 HH2 TRP 86 HH TRP 86 0.458 25.881 16.253 1524 H ASP 87 H ASP 87 -1.097 19.708 12.855 1525 HA ASP 87 HA ASP 87 -1.818 17.696 10.996 1526 1HB ASP 87 2HB ASP 87 0.247 16.777 12.342 1527 2HB ASP 87 1HB ASP 87 -0.960 16.479 13.588 1528 H SER 88 H SER 88 -1.995 18.691 14.392 1529 HA SER 88 HA SER 88 -4.468 17.535 14.995 1530 1HB SER 88 2HB SER 88 -2.639 18.827 16.461 1531 2HB SER 88 1HB SER 88 -3.798 20.141 16.259 1532 HG SER 88 HG SER 88 -5.079 19.175 17.609 1533 H THR 89 H THR 89 -3.687 20.510 13.327 1534 HA THR 89 HA THR 89 -6.547 21.191 13.230 1535 HB THR 89 HB THR 89 -5.350 23.037 14.076 1536 HG1 THR 89 1HG THR 89 -6.178 24.395 12.723 1537 1HG2 THR 89 1HG2 THR 89 -3.082 22.402 13.535 1538 2HG2 THR 89 2HG2 THR 89 -3.411 24.042 12.977 1539 3HG2 THR 89 3HG2 THR 89 -3.382 22.707 11.824 1540 H THR 90 H THR 90 -3.669 20.849 11.154 1541 HA THR 90 HA THR 90 -5.416 20.957 8.838 1542 HB THR 90 HB THR 90 -3.414 21.340 7.531 1543 HG1 THR 90 1HG THR 90 -1.473 20.974 8.276 1544 1HG2 THR 90 1HG2 THR 90 -4.451 23.198 9.039 1545 2HG2 THR 90 2HG2 THR 90 -2.936 23.472 8.180 1546 3HG2 THR 90 3HG2 THR 90 -2.915 23.065 9.894 1547 H ASP 91 H ASP 91 -2.363 19.222 8.855 1548 HA ASP 91 HA ASP 91 -3.195 17.134 7.384 1549 1HB ASP 91 2HB ASP 91 -0.837 17.790 8.405 1550 2HB ASP 91 1HB ASP 91 -1.231 16.485 9.520 1551 H GLY 92 H GLY 92 -4.893 15.921 7.633 1552 1HA GLY 92 2HA GLY 92 -5.443 14.708 10.266 1553 2HA GLY 92 1HA GLY 92 -6.628 14.908 8.975 1554 H SER 93 H SER 93 -4.957 14.096 6.856 1555 HA SER 93 HA SER 93 -4.569 12.230 5.631 1556 1HB SER 93 2HB SER 93 -2.481 12.483 6.949 1557 2HB SER 93 1HB SER 93 -3.126 11.346 8.131 1558 HG SER 93 HG SER 93 -2.055 10.024 6.831 1559 H ARG 94 H ARG 94 -6.134 10.914 5.060 1560 HA ARG 94 HA ARG 94 -6.845 8.702 6.851 1561 1HB ARG 94 2HB ARG 94 -9.007 9.982 5.208 1562 2HB ARG 94 1HB ARG 94 -9.157 8.952 6.622 1563 1HG ARG 94 2HG ARG 94 -8.015 11.725 6.769 1564 2HG ARG 94 1HG ARG 94 -9.743 11.397 6.913 1565 1HD ARG 94 2HD ARG 94 -9.430 10.113 8.874 1566 2HD ARG 94 1HD ARG 94 -7.685 10.036 8.633 1567 HE ARG 94 HE ARG 94 -8.693 12.709 8.959 1568 1HH1 ARG 94 1HH1 ARG 94 -7.541 9.865 10.642 1569 2HH1 ARG 94 2HH1 ARG 94 -7.073 10.747 12.056 1570 1HH2 ARG 94 1HH2 ARG 94 -8.074 13.857 10.819 1571 2HH2 ARG 94 2HH2 ARG 94 -7.375 13.009 12.158 1572 H THR 95 H THR 95 -5.801 7.161 5.671 1573 HA THR 95 HA THR 95 -6.057 7.125 2.784 1574 HB THR 95 HB THR 95 -3.867 6.758 3.820 1575 HG1 THR 95 1HG THR 95 -3.966 5.846 1.861 1576 1HG2 THR 95 1HG2 THR 95 -5.043 5.274 5.678 1577 2HG2 THR 95 2HG2 THR 95 -3.345 5.097 5.232 1578 3HG2 THR 95 3HG2 THR 95 -4.553 3.997 4.565 1579 H VAL 96 H VAL 96 -6.732 5.380 1.547 1580 HA VAL 96 HA VAL 96 -8.270 3.270 2.870 1581 HB VAL 96 HB VAL 96 -9.451 4.854 0.587 1582 1HG1 VAL 96 1HG1 VAL 96 -11.354 3.575 0.836 1583 2HG1 VAL 96 2HG1 VAL 96 -10.969 3.135 2.499 1584 3HG1 VAL 96 3HG1 VAL 96 -10.082 2.397 1.165 1585 1HG2 VAL 96 1HG2 VAL 96 -11.058 5.452 2.675 1586 2HG2 VAL 96 2HG2 VAL 96 -9.738 6.483 2.121 1587 3HG2 VAL 96 3HG2 VAL 96 -9.491 5.391 3.483 1588 H ARG 97 H ARG 97 -7.547 1.405 2.044 1589 HA ARG 97 HA ARG 97 -6.159 1.376 -0.495 1590 1HB ARG 97 2HB ARG 97 -6.723 -0.980 1.298 1591 2HB ARG 97 1HB ARG 97 -5.473 -0.840 0.072 1592 1HG ARG 97 2HG ARG 97 -5.329 1.207 2.158 1593 2HG ARG 97 1HG ARG 97 -5.112 -0.444 2.742 1594 1HD ARG 97 2HD ARG 97 -3.485 -0.644 0.712 1595 2HD ARG 97 1HD ARG 97 -3.463 1.117 0.800 1596 HE ARG 97 HE ARG 97 -2.986 0.254 3.362 1597 1HH1 ARG 97 1HH1 ARG 97 -1.446 -0.188 0.251 1598 2HH1 ARG 97 2HH1 ARG 97 0.136 -0.374 0.928 1599 1HH2 ARG 97 1HH2 ARG 97 -0.904 0.010 4.241 1600 2HH2 ARG 97 2HH2 ARG 97 0.445 -0.262 3.188 1601 H TRP 98 H TRP 98 -7.130 1.041 -2.361 1602 HA TRP 98 HA TRP 98 -9.654 -0.482 -2.418 1603 1HB TRP 98 2HB TRP 98 -8.771 1.971 -3.692 1604 2HB TRP 98 1HB TRP 98 -9.298 0.806 -4.898 1605 HD1 TRP 98 HD TRP 98 -10.676 3.601 -3.289 1606 HE1 TRP 98 1HE TRP 98 -13.219 3.419 -2.959 1607 HE3 TRP 98 3HE TRP 98 -11.258 -1.433 -3.945 1608 HZ2 TRP 98 2HZ TRP 98 -15.198 1.451 -2.932 1609 HZ3 TRP 98 3HZ TRP 98 -13.517 -2.393 -3.743 1610 HH2 TRP 98 HH TRP 98 -15.449 -0.979 -3.251 1611 H GLU 99 H GLU 99 -9.649 -2.420 -3.364 1612 HA GLU 99 HA GLU 99 -7.688 -3.014 -5.457 1613 1HB GLU 99 2HB GLU 99 -8.317 -5.043 -3.325 1614 2HB GLU 99 1HB GLU 99 -7.005 -5.057 -4.494 1615 1HG GLU 99 2HG GLU 99 -5.940 -3.197 -3.336 1616 2HG GLU 99 1HG GLU 99 -7.262 -3.159 -2.172 1617 H ASN 100 H ASN 100 -8.422 -4.462 -7.036 1618 HA ASN 100 HA ASN 100 -11.203 -5.367 -6.715 1619 1HB ASN 100 2HB ASN 100 -11.237 -4.971 -9.345 1620 2HB ASN 100 1HB ASN 100 -11.653 -3.700 -8.205 1621 1HD2 ASN 100 1HD2 ASN 100 -11.103 -2.069 -9.624 1622 2HD2 ASN 100 2HD2 ASN 100 -9.466 -1.707 -10.039 1623 H LYS 101 H LYS 101 -9.142 -5.816 -9.556 1624 HA LYS 101 HA LYS 101 -9.635 -8.649 -9.459 1625 1HB LYS 101 2HB LYS 101 -9.710 -7.532 -11.597 1626 2HB LYS 101 1HB LYS 101 -8.079 -6.916 -11.383 1627 1HG LYS 101 2HG LYS 101 -8.188 -9.811 -11.203 1628 2HG LYS 101 1HG LYS 101 -8.816 -9.209 -12.737 1629 1HD LYS 101 2HD LYS 101 -6.154 -8.419 -11.555 1630 2HD LYS 101 1HD LYS 101 -6.371 -9.683 -12.765 1631 1HE LYS 101 2HE LYS 101 -7.560 -7.851 -14.139 1632 2HE LYS 101 1HE LYS 101 -6.773 -6.726 -13.032 1633 1HZ LYS 101 1HZ LYS 101 -5.078 -8.763 -14.238 1634 2HZ LYS 101 2HZ LYS 101 -4.750 -7.137 -13.909 1635 3HZ LYS 101 3HZ LYS 101 -5.653 -7.557 -15.277 1636 H SER 102 H SER 102 -6.668 -6.687 -9.625 1637 HA SER 102 HA SER 102 -5.359 -8.466 -7.748 1638 1HB SER 102 2HB SER 102 -4.947 -9.608 -9.872 1639 2HB SER 102 1HB SER 102 -4.318 -8.116 -10.571 1640 HG SER 102 HG SER 102 -2.818 -9.809 -9.583 1641 H MET 103 H MET 103 -4.945 -5.777 -10.026 1642 HA MET 103 HA MET 103 -2.734 -4.590 -8.768 1643 1HB MET 103 2HB MET 103 -3.455 -3.983 -11.030 1644 2HB MET 103 1HB MET 103 -4.935 -3.288 -10.384 1645 1HG MET 103 2HG MET 103 -3.520 -1.680 -9.099 1646 2HG MET 103 1HG MET 103 -2.125 -2.301 -9.979 1647 1HE MET 103 1HE MET 103 -1.512 -0.192 -10.433 1648 2HE MET 103 2HE MET 103 -2.498 1.119 -11.081 1649 3HE MET 103 3HE MET 103 -1.577 0.084 -12.173 1650 H TYR 104 H TYR 104 -2.578 -2.870 -7.292 1651 HA TYR 104 HA TYR 104 -4.987 -2.513 -5.625 1652 1HB TYR 104 2HB TYR 104 -2.079 -2.283 -4.815 1653 2HB TYR 104 1HB TYR 104 -3.463 -2.071 -3.749 1654 HD1 TYR 104 1HD TYR 104 -5.147 -4.371 -4.744 1655 HD2 TYR 104 2HD TYR 104 -1.005 -4.115 -3.806 1656 HE1 TYR 104 1HE TYR 104 -5.121 -6.776 -4.232 1657 HE2 TYR 104 2HE TYR 104 -0.967 -6.519 -3.293 1658 HH TYR 104 HH TYR 104 -2.204 -8.524 -3.764 1659 H CYS 105 H CYS 105 -5.413 -0.449 -4.752 1660 HA CYS 105 HA CYS 105 -3.889 1.801 -5.814 1661 1HB CYS 105 2HB CYS 105 -6.825 1.330 -6.336 1662 2HB CYS 105 1HB CYS 105 -6.070 2.913 -6.490 1663 HG CYS 105 HG CYS 105 -4.520 1.119 -8.226 1664 H ILE 106 H ILE 106 -3.369 2.893 -4.044 1665 HA ILE 106 HA ILE 106 -5.175 2.932 -1.760 1666 HB ILE 106 HB ILE 106 -2.884 2.511 -1.207 1667 1HG1 ILE 106 2HG1 ILE 106 -2.931 5.366 -0.401 1668 2HG1 ILE 106 1HG1 ILE 106 -4.328 4.399 0.064 1669 1HG2 ILE 106 1HG2 ILE 106 -1.138 4.272 -1.685 1670 2HG2 ILE 106 2HG2 ILE 106 -2.295 4.968 -2.819 1671 3HG2 ILE 106 3HG2 ILE 106 -1.700 3.326 -3.062 1672 1HD1 ILE 106 1HD1 ILE 106 -1.701 3.193 0.601 1673 2HD1 ILE 106 2HD1 ILE 106 -3.165 3.222 1.584 1674 3HD1 ILE 106 3HD1 ILE 106 -2.104 4.630 1.540 1675 H CYS 107 H CYS 107 -6.302 4.649 -1.095 1676 HA CYS 107 HA CYS 107 -5.902 7.216 -2.460 1677 1HB CYS 107 2HB CYS 107 -8.499 5.758 -2.050 1678 2HB CYS 107 1HB CYS 107 -8.418 7.442 -2.509 1679 HG CYS 107 HG CYS 107 -7.043 5.460 -4.418 1680 H THR 108 H THR 108 -5.350 8.603 -0.908 1681 HA THR 108 HA THR 108 -6.718 8.396 1.682 1682 HB THR 108 HB THR 108 -4.178 7.981 1.559 1683 HG1 THR 108 1HG THR 108 -3.969 8.825 3.582 1684 1HG2 THR 108 1HG2 THR 108 -3.472 9.872 0.222 1685 2HG2 THR 108 2HG2 THR 108 -2.778 9.976 1.839 1686 3HG2 THR 108 3HG2 THR 108 -4.153 10.991 1.405 1687 H VAL 109 H VAL 109 -7.256 10.301 2.796 1688 HA VAL 109 HA VAL 109 -7.427 12.701 1.095 1689 HB VAL 109 HB VAL 109 -9.468 12.479 3.222 1690 1HG1 VAL 109 1HG1 VAL 109 -9.098 13.715 0.603 1691 2HG1 VAL 109 2HG1 VAL 109 -10.016 14.265 2.004 1692 3HG1 VAL 109 3HG1 VAL 109 -10.730 13.107 0.882 1693 1HG2 VAL 109 1HG2 VAL 109 -9.939 10.323 2.671 1694 2HG2 VAL 109 2HG2 VAL 109 -9.334 10.489 1.022 1695 3HG2 VAL 109 3HG2 VAL 109 -10.908 11.158 1.456 1696 H PHE 110 H PHE 110 -6.422 14.407 1.936 1697 HA PHE 110 HA PHE 110 -5.804 14.323 4.799 1698 1HB PHE 110 2HB PHE 110 -4.361 15.405 2.437 1699 2HB PHE 110 1HB PHE 110 -4.161 16.239 3.966 1700 HD1 PHE 110 1HD PHE 110 -2.219 15.672 5.031 1701 HD2 PHE 110 2HD PHE 110 -4.332 12.669 2.880 1702 HE1 PHE 110 1HE PHE 110 -0.528 14.013 5.697 1703 HE2 PHE 110 2HE PHE 110 -2.646 11.005 3.544 1704 HZ PHE 110 HZ PHE 110 -0.741 11.676 4.952 1705 H GLY 111 H GLY 111 -7.458 15.235 5.786 1706 1HA GLY 111 2HA GLY 111 -8.812 17.549 4.681 1707 2HA GLY 111 1HA GLY 111 -9.238 16.701 6.163 1708 H LEU 112 H LEU 112 -7.181 19.159 4.723 1709 HA LEU 112 HA LEU 112 -6.128 19.809 7.354 1710 1HB LEU 112 2HB LEU 112 -5.450 20.693 4.582 1711 2HB LEU 112 1HB LEU 112 -4.800 21.514 5.992 1712 HG LEU 112 HG LEU 112 -3.613 19.575 6.695 1713 1HD1 LEU 112 1HD1 LEU 112 -5.249 17.856 6.310 1714 2HD1 LEU 112 2HD1 LEU 112 -3.745 17.424 5.497 1715 3HD1 LEU 112 3HD1 LEU 112 -5.098 18.062 4.565 1716 1HD2 LEU 112 1HD2 LEU 112 -3.414 20.012 3.763 1717 2HD2 LEU 112 2HD2 LEU 112 -2.324 18.948 4.653 1718 3HD2 LEU 112 3HD2 LEU 112 -2.402 20.665 5.050 1719 H ALA 113 H ALA 113 -7.311 20.911 8.640 1720 HA ALA 113 HA ALA 113 -9.339 22.726 7.774 1721 1HB ALA 113 1HB ALA 113 -8.296 22.809 10.556 1722 2HB ALA 113 2HB ALA 113 -9.083 21.334 9.990 1723 3HB ALA 113 3HB ALA 113 -9.958 22.866 9.966 1724 H ILE 114 H ILE 114 -8.202 24.223 6.469 1725 HA ILE 114 HA ILE 114 -6.822 26.284 8.050 1726 HB ILE 114 HB ILE 114 -6.029 25.623 5.224 1727 1HG1 ILE 114 2HG1 ILE 114 -4.685 24.727 7.784 1728 2HG1 ILE 114 1HG1 ILE 114 -5.543 23.678 6.659 1729 1HG2 ILE 114 1HG2 ILE 114 -3.951 26.866 6.014 1730 2HG2 ILE 114 2HG2 ILE 114 -4.924 27.369 7.397 1731 3HG2 ILE 114 3HG2 ILE 114 -5.415 27.818 5.763 1732 1HD1 ILE 114 1HD1 ILE 114 -2.824 24.651 6.581 1733 2HD1 ILE 114 2HD1 ILE 114 -3.685 24.974 5.078 1734 3HD1 ILE 114 3HD1 ILE 114 -3.579 23.326 5.696 Start of MODEL 12 1 1H MET 1 1HT MET 1 34.382 6.912 -11.195 2 HA MET 1 HA MET 1 34.274 4.587 -10.562 3 1HB MET 1 2HB MET 1 33.886 5.098 -8.144 4 2HB MET 1 1HB MET 1 32.279 5.671 -8.565 5 1HG MET 1 2HG MET 1 31.967 3.492 -7.791 6 2HG MET 1 1HG MET 1 31.875 3.369 -9.547 7 1HE MET 1 1HE MET 1 34.257 1.357 -6.559 8 2HE MET 1 2HE MET 1 33.631 3.000 -6.417 9 3HE MET 1 3HE MET 1 35.315 2.734 -6.870 10 H GLU 2 H GLU 2 33.398 4.180 -12.496 11 HA GLU 2 HA GLU 2 31.049 5.561 -13.428 12 1HB GLU 2 2HB GLU 2 33.127 4.600 -14.761 13 2HB GLU 2 1HB GLU 2 32.128 3.154 -14.825 14 1HG GLU 2 2HG GLU 2 30.475 4.201 -16.081 15 2HG GLU 2 1HG GLU 2 31.039 5.816 -15.650 16 H GLY 3 H GLY 3 29.200 4.296 -14.367 17 1HA GLY 3 2HA GLY 3 27.757 2.411 -14.315 18 2HA GLY 3 1HA GLY 3 28.634 1.811 -12.917 19 H VAL 4 H VAL 4 28.589 4.014 -11.258 20 HA VAL 4 HA VAL 4 25.785 4.013 -10.462 21 HB VAL 4 HB VAL 4 28.131 5.181 -8.965 22 1HG1 VAL 4 1HG1 VAL 4 26.735 5.227 -7.077 23 2HG1 VAL 4 2HG1 VAL 4 25.524 4.198 -7.843 24 3HG1 VAL 4 3HG1 VAL 4 25.745 5.861 -8.391 25 1HG2 VAL 4 1HG2 VAL 4 28.661 2.892 -9.245 26 2HG2 VAL 4 2HG2 VAL 4 26.995 2.395 -8.943 27 3HG2 VAL 4 3HG2 VAL 4 27.975 3.042 -7.627 28 H ASP 5 H ASP 5 24.467 5.653 -10.890 29 HA ASP 5 HA ASP 5 25.647 8.262 -11.573 30 1HB ASP 5 2HB ASP 5 24.308 7.006 -13.336 31 2HB ASP 5 1HB ASP 5 22.890 7.309 -12.337 32 HA PRO 6 HA PRO 6 23.642 9.241 -7.585 33 1HB PRO 6 2HB PRO 6 24.778 11.719 -7.353 34 2HB PRO 6 1HB PRO 6 25.573 10.224 -6.845 35 1HG PRO 6 2HG PRO 6 25.916 11.790 -9.373 36 2HG PRO 6 1HG PRO 6 27.150 11.025 -8.352 37 1HD PRO 6 2HD PRO 6 26.292 9.892 -10.636 38 2HD PRO 6 1HD PRO 6 26.743 8.920 -9.221 39 H ALA 7 H ALA 7 21.579 9.798 -7.692 40 HA ALA 7 HA ALA 7 19.674 11.002 -8.025 41 1HB ALA 7 1HB ALA 7 20.206 13.079 -7.392 42 2HB ALA 7 2HB ALA 7 20.299 13.440 -9.116 43 3HB ALA 7 3HB ALA 7 21.762 13.033 -8.220 44 H VAL 8 H VAL 8 21.812 12.073 -10.656 45 HA VAL 8 HA VAL 8 21.685 11.876 -12.928 46 HB VAL 8 HB VAL 8 19.332 10.074 -13.025 47 1HG1 VAL 8 1HG1 VAL 8 21.905 10.466 -14.430 48 2HG1 VAL 8 2HG1 VAL 8 20.277 10.238 -15.071 49 3HG1 VAL 8 3HG1 VAL 8 21.187 8.855 -14.461 50 1HG2 VAL 8 1HG2 VAL 8 21.734 9.388 -11.451 51 2HG2 VAL 8 2HG2 VAL 8 21.101 8.161 -12.552 52 3HG2 VAL 8 3HG2 VAL 8 20.068 8.839 -11.297 53 H GLU 9 H GLU 9 18.371 11.358 -11.828 54 HA GLU 9 HA GLU 9 17.436 13.390 -13.683 55 1HB GLU 9 2HB GLU 9 15.464 11.984 -12.003 56 2HB GLU 9 1HB GLU 9 15.480 12.266 -13.728 57 1HG GLU 9 2HG GLU 9 17.387 10.435 -13.639 58 2HG GLU 9 1HG GLU 9 16.509 9.974 -12.182 59 H GLU 10 H GLU 10 18.307 15.187 -12.500 60 HA GLU 10 HA GLU 10 17.570 15.761 -9.829 61 1HB GLU 10 2HB GLU 10 19.514 16.761 -11.060 62 2HB GLU 10 1HB GLU 10 18.370 17.737 -11.970 63 1HG GLU 10 2HG GLU 10 18.113 17.885 -9.045 64 2HG GLU 10 1HG GLU 10 19.602 18.546 -9.717 65 H ALA 11 H ALA 11 15.651 16.293 -9.080 66 HA ALA 11 HA ALA 11 13.727 17.603 -10.884 67 1HB ALA 11 1HB ALA 11 13.422 15.516 -8.803 68 2HB ALA 11 2HB ALA 11 12.597 15.708 -10.350 69 3HB ALA 11 3HB ALA 11 12.120 16.694 -8.969 70 H ALA 12 H ALA 12 12.164 19.068 -9.793 71 HA ALA 12 HA ALA 12 11.584 20.789 -8.408 72 1HB ALA 12 1HB ALA 12 13.895 20.094 -6.607 73 2HB ALA 12 2HB ALA 12 12.339 19.270 -6.537 74 3HB ALA 12 3HB ALA 12 12.436 20.998 -6.208 75 H PHE 13 H PHE 13 11.914 22.768 -9.109 76 HA PHE 13 HA PHE 13 14.681 23.656 -9.593 77 1HB PHE 13 2HB PHE 13 12.780 23.409 -11.484 78 2HB PHE 13 1HB PHE 13 12.454 25.057 -10.957 79 HD1 PHE 13 1HD PHE 13 14.402 26.702 -10.948 80 HD2 PHE 13 2HD PHE 13 14.509 22.958 -12.969 81 HE1 PHE 13 1HE PHE 13 16.250 27.518 -12.355 82 HE2 PHE 13 2HE PHE 13 16.356 23.767 -14.379 83 HZ PHE 13 HZ PHE 13 17.228 26.050 -14.072 84 H VAL 14 H VAL 14 11.708 24.353 -7.949 85 HA VAL 14 HA VAL 14 12.616 27.062 -7.293 86 HB VAL 14 HB VAL 14 9.993 25.779 -6.534 87 1HG1 VAL 14 1HG1 VAL 14 9.400 28.324 -6.546 88 2HG1 VAL 14 2HG1 VAL 14 11.140 28.526 -6.339 89 3HG1 VAL 14 3HG1 VAL 14 10.212 27.607 -5.154 90 1HG2 VAL 14 1HG2 VAL 14 10.052 25.769 -8.914 91 2HG2 VAL 14 2HG2 VAL 14 10.717 27.402 -8.966 92 3HG2 VAL 14 3HG2 VAL 14 9.060 27.141 -8.424 93 H ALA 15 H ALA 15 12.530 27.778 -5.049 94 HA ALA 15 HA ALA 15 13.209 27.620 -2.881 95 1HB ALA 15 1HB ALA 15 12.167 25.901 -1.519 96 2HB ALA 15 2HB ALA 15 11.732 24.989 -2.966 97 3HB ALA 15 3HB ALA 15 10.999 26.565 -2.663 98 H ASP 16 H ASP 16 15.225 27.046 -4.525 99 HA ASP 16 HA ASP 16 16.451 24.560 -4.387 100 1HB ASP 16 2HB ASP 16 17.127 26.576 -5.788 101 2HB ASP 16 1HB ASP 16 17.963 27.170 -4.357 102 H ASP 17 H ASP 17 16.393 27.168 -2.043 103 HA ASP 17 HA ASP 17 18.488 26.414 -0.378 104 1HB ASP 17 2HB ASP 17 16.929 28.486 -0.280 105 2HB ASP 17 1HB ASP 17 15.899 27.472 0.728 106 H VAL 18 H VAL 18 15.113 25.332 -0.368 107 HA VAL 18 HA VAL 18 15.552 23.513 1.832 108 HB VAL 18 HB VAL 18 13.175 23.661 -0.027 109 1HG1 VAL 18 1HG1 VAL 18 12.567 21.814 1.069 110 2HG1 VAL 18 2HG1 VAL 18 12.325 22.851 2.474 111 3HG1 VAL 18 3HG1 VAL 18 13.855 21.999 2.260 112 1HG2 VAL 18 1HG2 VAL 18 13.405 25.820 0.936 113 2HG2 VAL 18 2HG2 VAL 18 13.765 25.144 2.525 114 3HG2 VAL 18 3HG2 VAL 18 12.145 24.988 1.848 115 H SER 19 H SER 19 15.494 23.395 -1.659 116 HA SER 19 HA SER 19 15.207 20.642 -2.017 117 1HB SER 19 2HB SER 19 16.723 22.615 -3.736 118 2HB SER 19 1HB SER 19 16.213 21.003 -4.240 119 HG SER 19 HG SER 19 14.590 22.241 -4.932 120 H ASN 20 H ASN 20 18.089 22.579 -1.398 121 HA ASN 20 HA ASN 20 19.908 20.427 -1.814 122 1HB ASN 20 2HB ASN 20 21.507 21.921 -0.513 123 2HB ASN 20 1HB ASN 20 20.817 22.616 -1.976 124 1HD2 ASN 20 1HD2 ASN 20 20.282 22.418 1.514 125 2HD2 ASN 20 2HD2 ASN 20 19.648 24.012 1.683 126 H ILE 21 H ILE 21 18.097 21.610 0.940 127 HA ILE 21 HA ILE 21 19.462 20.288 3.006 128 HB ILE 21 HB ILE 21 16.541 21.066 2.792 129 1HG1 ILE 21 2HG1 ILE 21 18.872 22.441 4.136 130 2HG1 ILE 21 1HG1 ILE 21 18.146 22.923 2.607 131 1HG2 ILE 21 1HG2 ILE 21 18.125 20.030 5.122 132 2HG2 ILE 21 2HG2 ILE 21 16.542 19.515 4.539 133 3HG2 ILE 21 3HG2 ILE 21 16.717 21.069 5.352 134 1HD1 ILE 21 1HD1 ILE 21 16.001 22.848 4.320 135 2HD1 ILE 21 2HD1 ILE 21 16.886 24.289 3.819 136 3HD1 ILE 21 3HD1 ILE 21 17.308 23.474 5.325 137 H ILE 22 H ILE 22 16.502 19.254 1.273 138 HA ILE 22 HA ILE 22 16.242 16.804 2.572 139 HB ILE 22 HB ILE 22 14.453 17.781 1.217 140 1HG1 ILE 22 2HG1 ILE 22 13.826 15.632 -0.029 141 2HG1 ILE 22 1HG1 ILE 22 15.369 14.993 0.529 142 1HG2 ILE 22 1HG2 ILE 22 15.884 18.568 -0.637 143 2HG2 ILE 22 2HG2 ILE 22 14.454 17.693 -1.180 144 3HG2 ILE 22 3HG2 ILE 22 16.030 16.902 -1.193 145 1HD1 ILE 22 1HD1 ILE 22 13.999 14.229 2.172 146 2HD1 ILE 22 2HD1 ILE 22 12.903 15.607 2.056 147 3HD1 ILE 22 3HD1 ILE 22 14.459 15.783 2.868 148 H LYS 23 H LYS 23 17.879 17.499 -0.538 149 HA LYS 23 HA LYS 23 18.635 14.852 -0.987 150 1HB LYS 23 2HB LYS 23 19.445 17.487 -2.076 151 2HB LYS 23 1HB LYS 23 20.533 16.136 -2.353 152 1HG LYS 23 2HG LYS 23 18.815 14.904 -3.465 153 2HG LYS 23 1HG LYS 23 17.608 16.119 -3.038 154 1HD LYS 23 2HD LYS 23 18.236 17.510 -4.693 155 2HD LYS 23 1HD LYS 23 19.951 17.172 -4.464 156 1HE LYS 23 2HE LYS 23 19.969 15.521 -5.994 157 2HE LYS 23 1HE LYS 23 18.358 14.957 -5.558 158 1HZ LYS 23 1HZ LYS 23 19.162 16.914 -7.553 159 2HZ LYS 23 2HZ LYS 23 17.757 17.279 -6.684 160 3HZ LYS 23 3HZ LYS 23 17.859 15.834 -7.558 161 H GLU 24 H GLU 24 20.457 17.578 0.385 162 HA GLU 24 HA GLU 24 22.856 16.292 0.937 163 1HB GLU 24 2HB GLU 24 21.398 18.590 2.157 164 2HB GLU 24 1HB GLU 24 22.742 17.923 3.055 165 1HG GLU 24 2HG GLU 24 23.346 19.846 1.621 166 2HG GLU 24 1HG GLU 24 24.262 18.380 1.275 167 H SER 25 H SER 25 19.810 16.233 2.646 168 HA SER 25 HA SER 25 20.726 14.907 4.974 169 1HB SER 25 2HB SER 25 18.001 15.232 3.716 170 2HB SER 25 1HB SER 25 18.241 14.288 5.185 171 HG SER 25 HG SER 25 18.673 16.071 6.286 172 H ILE 26 H ILE 26 19.242 13.715 1.928 173 HA ILE 26 HA ILE 26 19.173 10.997 2.655 174 HB ILE 26 HB ILE 26 19.062 12.477 0.087 175 1HG1 ILE 26 2HG1 ILE 26 17.325 10.500 -0.204 176 2HG1 ILE 26 1HG1 ILE 26 17.535 10.381 1.540 177 1HG2 ILE 26 1HG2 ILE 26 19.112 10.140 -1.119 178 2HG2 ILE 26 2HG2 ILE 26 20.219 9.723 0.184 179 3HG2 ILE 26 3HG2 ILE 26 20.596 11.066 -0.896 180 1HD1 ILE 26 1HD1 ILE 26 17.150 13.008 1.315 181 2HD1 ILE 26 2HD1 ILE 26 15.843 11.846 1.537 182 3HD1 ILE 26 3HD1 ILE 26 16.224 12.450 -0.076 183 H ASP 27 H ASP 27 21.708 12.922 1.120 184 HA ASP 27 HA ASP 27 23.588 10.975 0.599 185 1HB ASP 27 2HB ASP 27 23.834 13.316 -0.085 186 2HB ASP 27 1HB ASP 27 24.045 13.797 1.592 187 H ALA 28 H ALA 28 22.802 12.537 3.638 188 HA ALA 28 HA ALA 28 24.942 11.157 5.058 189 1HB ALA 28 1HB ALA 28 24.741 13.220 6.007 190 2HB ALA 28 2HB ALA 28 23.592 12.352 7.023 191 3HB ALA 28 3HB ALA 28 23.013 13.327 5.672 192 H VAL 29 H VAL 29 21.424 11.233 4.960 193 HA VAL 29 HA VAL 29 20.984 9.266 6.925 194 HB VAL 29 HB VAL 29 19.367 10.852 5.029 195 1HG1 VAL 29 1HG1 VAL 29 18.310 8.863 4.382 196 2HG1 VAL 29 2HG1 VAL 29 17.282 9.605 5.598 197 3HG1 VAL 29 3HG1 VAL 29 18.303 8.239 6.032 198 1HG2 VAL 29 1HG2 VAL 29 18.108 10.337 7.531 199 2HG2 VAL 29 2HG2 VAL 29 18.801 11.835 6.916 200 3HG2 VAL 29 3HG2 VAL 29 19.813 10.693 7.798 201 H LEU 30 H LEU 30 22.275 8.915 3.834 202 HA LEU 30 HA LEU 30 21.432 6.104 3.776 203 1HB LEU 30 2HB LEU 30 21.775 8.040 1.512 204 2HB LEU 30 1HB LEU 30 21.985 6.323 1.246 205 HG LEU 30 HG LEU 30 19.761 6.819 0.611 206 1HD1 LEU 30 1HD1 LEU 30 18.541 5.337 1.897 207 2HD1 LEU 30 2HD1 LEU 30 19.322 5.847 3.391 208 3HD1 LEU 30 3HD1 LEU 30 20.205 4.855 2.234 209 1HD2 LEU 30 1HD2 LEU 30 18.336 7.780 2.717 210 2HD2 LEU 30 2HD2 LEU 30 18.965 8.757 1.392 211 3HD2 LEU 30 3HD2 LEU 30 19.864 8.637 2.901 212 H GLN 31 H GLN 31 24.075 8.412 3.153 213 HA GLN 31 HA GLN 31 25.945 6.331 2.523 214 1HB GLN 31 2HB GLN 31 26.087 8.766 1.788 215 2HB GLN 31 1HB GLN 31 26.673 9.103 3.403 216 1HG GLN 31 2HG GLN 31 28.544 7.654 3.094 217 2HG GLN 31 1HG GLN 31 27.941 7.192 1.510 218 1HE2 GLN 31 1HE2 GLN 31 28.235 10.329 3.113 219 2HE2 GLN 31 2HE2 GLN 31 29.202 11.064 1.885 220 H ASN 32 H ASN 32 24.851 7.807 5.492 221 HA ASN 32 HA ASN 32 27.027 7.433 7.148 222 1HB ASN 32 2HB ASN 32 25.519 7.398 9.004 223 2HB ASN 32 1HB ASN 32 24.843 8.481 7.797 224 1HD2 ASN 32 1HD2 ASN 32 23.117 7.616 6.432 225 2HD2 ASN 32 2HD2 ASN 32 22.050 6.431 7.091 226 H GLN 33 H GLN 33 25.025 4.994 5.705 227 HA GLN 33 HA GLN 33 26.708 2.943 6.940 228 1HB GLN 33 2HB GLN 33 24.214 3.351 7.914 229 2HB GLN 33 1HB GLN 33 23.865 2.195 6.636 230 1HG GLN 33 2HG GLN 33 24.299 0.681 8.224 231 2HG GLN 33 1HG GLN 33 25.982 1.002 7.806 232 1HE2 GLN 33 1HE2 GLN 33 23.450 2.482 9.813 233 2HE2 GLN 33 2HE2 GLN 33 24.453 2.723 11.198 234 H GLN 34 H GLN 34 25.556 0.701 5.863 235 HA GLN 34 HA GLN 34 26.272 0.999 3.065 236 1HB GLN 34 2HB GLN 34 26.805 -0.950 4.868 237 2HB GLN 34 1HB GLN 34 25.396 -1.639 4.074 238 1HG GLN 34 2HG GLN 34 26.861 -2.447 2.605 239 2HG GLN 34 1HG GLN 34 26.877 -0.812 1.946 240 1HE2 GLN 34 1HE2 GLN 34 28.762 0.184 1.824 241 2HE2 GLN 34 2HE2 GLN 34 30.206 -0.278 2.652 242 H TYR 35 H TYR 35 24.909 -0.687 1.621 243 HA TYR 35 HA TYR 35 22.256 0.460 1.526 244 1HB TYR 35 2HB TYR 35 23.381 0.285 -0.568 245 2HB TYR 35 1HB TYR 35 23.803 -1.396 -0.286 246 HD1 TYR 35 1HD TYR 35 22.247 -3.164 -0.770 247 HD2 TYR 35 2HD TYR 35 21.091 0.904 -1.249 248 HE1 TYR 35 1HE TYR 35 20.266 -3.882 -2.041 249 HE2 TYR 35 2HE TYR 35 19.104 0.194 -2.520 250 HH TYR 35 HH TYR 35 18.675 -2.323 -4.000 251 H SER 36 H SER 36 20.727 -0.358 2.776 252 HA SER 36 HA SER 36 20.359 -3.272 2.845 253 1HB SER 36 2HB SER 36 20.700 -1.416 5.141 254 2HB SER 36 1HB SER 36 19.437 -2.637 5.296 255 HG SER 36 HG SER 36 21.961 -2.986 5.741 256 H GLU 37 H GLU 37 18.299 -3.883 2.379 257 HA GLU 37 HA GLU 37 16.405 -1.990 1.532 258 1HB GLU 37 2HB GLU 37 16.419 -4.334 0.756 259 2HB GLU 37 1HB GLU 37 15.893 -4.851 2.354 260 1HG GLU 37 2HG GLU 37 13.789 -4.541 1.764 261 2HG GLU 37 1HG GLU 37 14.110 -2.836 1.496 262 H ALA 38 H ALA 38 16.750 -3.734 4.582 263 HA ALA 38 HA ALA 38 14.354 -2.987 5.804 264 1HB ALA 38 1HB ALA 38 15.693 -4.630 6.854 265 2HB ALA 38 2HB ALA 38 15.666 -3.246 7.948 266 3HB ALA 38 3HB ALA 38 17.082 -3.547 6.938 267 H LYS 39 H LYS 39 17.253 -1.196 5.184 268 HA LYS 39 HA LYS 39 16.404 1.038 6.862 269 1HB LYS 39 2HB LYS 39 18.924 -0.026 5.865 270 2HB LYS 39 1HB LYS 39 18.795 1.697 5.591 271 1HG LYS 39 2HG LYS 39 19.890 1.263 7.687 272 2HG LYS 39 1HG LYS 39 18.328 2.031 7.974 273 1HD LYS 39 2HD LYS 39 18.375 0.325 9.541 274 2HD LYS 39 1HD LYS 39 17.452 -0.379 8.214 275 1HE LYS 39 2HE LYS 39 19.405 -1.565 7.432 276 2HE LYS 39 1HE LYS 39 20.407 -0.781 8.654 277 1HZ LYS 39 1HZ LYS 39 18.925 -1.860 10.341 278 2HZ LYS 39 2HZ LYS 39 19.896 -2.925 9.456 279 3HZ LYS 39 3HZ LYS 39 18.253 -2.771 9.084 280 H VAL 40 H VAL 40 16.454 0.005 3.566 281 HA VAL 40 HA VAL 40 16.670 2.309 2.098 282 HB VAL 40 HB VAL 40 15.194 -0.258 1.703 283 1HG1 VAL 40 1HG1 VAL 40 14.829 0.679 -0.742 284 2HG1 VAL 40 2HG1 VAL 40 14.648 2.199 0.135 285 3HG1 VAL 40 3HG1 VAL 40 13.596 0.834 0.511 286 1HG2 VAL 40 1HG2 VAL 40 17.687 0.198 1.334 287 2HG2 VAL 40 2HG2 VAL 40 17.171 1.029 -0.132 288 3HG2 VAL 40 3HG2 VAL 40 16.804 -0.681 0.086 289 H SER 41 H SER 41 14.057 1.401 4.209 290 HA SER 41 HA SER 41 12.485 3.698 3.241 291 1HB SER 41 2HB SER 41 11.558 1.214 3.397 292 2HB SER 41 1HB SER 41 11.294 1.671 5.080 293 HG SER 41 HG SER 41 9.920 3.256 4.442 294 H GLN 42 H GLN 42 14.064 2.289 6.006 295 HA GLN 42 HA GLN 42 12.900 4.102 7.900 296 1HB GLN 42 2HB GLN 42 15.131 2.093 8.004 297 2HB GLN 42 1HB GLN 42 14.886 3.227 9.324 298 1HG GLN 42 2HG GLN 42 13.847 0.942 9.581 299 2HG GLN 42 1HG GLN 42 12.801 2.327 9.865 300 1HE2 GLN 42 1HE2 GLN 42 11.316 2.929 8.171 301 2HE2 GLN 42 2HE2 GLN 42 10.710 1.722 7.094 302 H TRP 43 H TRP 43 15.802 4.070 5.920 303 HA TRP 43 HA TRP 43 17.185 6.099 7.266 304 1HB TRP 43 2HB TRP 43 17.206 5.159 4.432 305 2HB TRP 43 1HB TRP 43 18.086 6.614 4.877 306 HD1 TRP 43 HD TRP 43 19.186 3.666 3.894 307 HE1 TRP 43 1HE TRP 43 21.067 2.625 5.258 308 HE3 TRP 43 3HE TRP 43 18.688 6.338 8.259 309 HZ2 TRP 43 2HZ TRP 43 22.213 2.854 7.812 310 HZ3 TRP 43 3HZ TRP 43 20.227 5.847 10.099 311 HH2 TRP 43 HH TRP 43 21.957 4.144 9.881 312 H THR 44 H THR 44 15.101 6.315 4.411 313 HA THR 44 HA THR 44 15.097 9.072 4.153 314 HB THR 44 HB THR 44 14.150 7.304 2.587 315 HG1 THR 44 1HG THR 44 13.538 9.028 1.628 316 1HG2 THR 44 1HG2 THR 44 11.761 7.634 4.365 317 2HG2 THR 44 2HG2 THR 44 12.561 6.143 3.869 318 3HG2 THR 44 3HG2 THR 44 11.661 7.094 2.690 319 H SER 45 H SER 45 13.532 7.087 6.496 320 HA SER 45 HA SER 45 11.587 8.971 7.383 321 1HB SER 45 2HB SER 45 11.044 7.372 8.949 322 2HB SER 45 1HB SER 45 11.982 6.344 7.878 323 HG SER 45 HG SER 45 13.286 6.038 9.483 324 H SER 46 H SER 46 14.912 8.176 8.146 325 HA SER 46 HA SER 46 15.242 10.027 10.282 326 1HB SER 46 2HB SER 46 16.991 8.252 8.687 327 2HB SER 46 1HB SER 46 17.770 9.679 9.366 328 HG SER 46 HG SER 46 17.785 7.814 10.761 329 H CYS 47 H CYS 47 15.762 10.132 6.787 330 HA CYS 47 HA CYS 47 17.020 12.654 6.633 331 1HB CYS 47 2HB CYS 47 16.868 11.190 4.658 332 2HB CYS 47 1HB CYS 47 15.124 11.330 4.666 333 HG CYS 47 HG CYS 47 17.019 13.241 3.350 334 H LEU 48 H LEU 48 13.682 11.628 6.769 335 HA LEU 48 HA LEU 48 12.512 14.144 6.344 336 1HB LEU 48 2HB LEU 48 11.655 11.478 7.251 337 2HB LEU 48 1HB LEU 48 10.677 12.805 7.827 338 HG LEU 48 HG LEU 48 9.899 13.343 5.721 339 1HD1 LEU 48 1HD1 LEU 48 12.140 11.799 4.430 340 2HD1 LEU 48 2HD1 LEU 48 12.148 13.541 4.672 341 3HD1 LEU 48 3HD1 LEU 48 10.938 12.811 3.634 342 1HD2 LEU 48 1HD2 LEU 48 8.945 11.239 6.284 343 2HD2 LEU 48 2HD2 LEU 48 10.383 10.373 5.746 344 3HD2 LEU 48 3HD2 LEU 48 9.350 11.180 4.568 345 H GLU 49 H GLU 49 13.781 12.549 9.191 346 HA GLU 49 HA GLU 49 12.699 14.610 10.906 347 1HB GLU 49 2HB GLU 49 13.190 12.303 11.766 348 2HB GLU 49 1HB GLU 49 14.906 12.687 11.623 349 1HG GLU 49 2HG GLU 49 14.323 14.763 13.037 350 2HG GLU 49 1HG GLU 49 12.858 13.884 13.450 351 H HIS 50 H HIS 50 15.686 13.907 9.238 352 HA HIS 50 HA HIS 50 17.047 16.168 10.430 353 1HB HIS 50 2HB HIS 50 17.771 14.127 8.327 354 2HB HIS 50 1HB HIS 50 18.784 15.538 8.602 355 HD1 HIS 50 1HD HIS 50 20.011 15.674 10.916 356 HD2 HIS 50 2HD HIS 50 17.955 12.129 10.231 357 HE1 HIS 50 1HE HIS 50 20.850 14.064 12.656 358 HE2 HIS 50 2HE HIS 50 19.651 11.902 12.172 359 H CYS 51 H CYS 51 14.685 15.913 8.102 360 HA CYS 51 HA CYS 51 15.727 18.065 6.419 361 1HB CYS 51 2HB CYS 51 14.549 16.045 5.379 362 2HB CYS 51 1HB CYS 51 13.071 16.600 6.156 363 HG CYS 51 HG CYS 51 14.330 17.790 3.649 364 H ILE 52 H ILE 52 12.983 17.156 8.410 365 HA ILE 52 HA ILE 52 11.661 19.624 8.526 366 HB ILE 52 HB ILE 52 10.538 17.672 9.287 367 1HG1 ILE 52 2HG1 ILE 52 9.947 19.724 10.527 368 2HG1 ILE 52 1HG1 ILE 52 9.611 18.234 11.388 369 1HG2 ILE 52 1HG2 ILE 52 11.259 16.072 10.675 370 2HG2 ILE 52 2HG2 ILE 52 12.116 17.203 11.714 371 3HG2 ILE 52 3HG2 ILE 52 12.824 16.704 10.191 372 1HD1 ILE 52 1HD1 ILE 52 10.473 19.429 13.051 373 2HD1 ILE 52 2HD1 ILE 52 11.499 20.392 11.986 374 3HD1 ILE 52 3HD1 ILE 52 11.962 18.742 12.403 375 H LYS 53 H LYS 53 14.071 18.174 10.667 376 HA LYS 53 HA LYS 53 14.226 20.288 12.498 377 1HB LYS 53 2HB LYS 53 16.278 18.182 11.847 378 2HB LYS 53 1HB LYS 53 16.235 19.159 13.306 379 1HG LYS 53 2HG LYS 53 13.818 17.588 12.618 380 2HG LYS 53 1HG LYS 53 15.226 16.719 13.217 381 1HD LYS 53 2HD LYS 53 14.461 17.188 15.238 382 2HD LYS 53 1HD LYS 53 15.007 18.825 14.941 383 1HE LYS 53 2HE LYS 53 12.755 18.884 15.746 384 2HE LYS 53 1HE LYS 53 12.770 19.357 14.053 385 1HZ LYS 53 1HZ LYS 53 12.279 16.867 13.657 386 2HZ LYS 53 2HZ LYS 53 11.019 17.873 14.163 387 3HZ LYS 53 3HZ LYS 53 11.792 16.864 15.276 388 H ARG 54 H ARG 54 15.949 19.728 9.471 389 HA ARG 54 HA ARG 54 17.949 21.706 9.936 390 1HB ARG 54 2HB ARG 54 18.206 19.884 8.272 391 2HB ARG 54 1HB ARG 54 16.941 20.622 7.297 392 1HG ARG 54 2HG ARG 54 18.665 21.596 6.243 393 2HG ARG 54 1HG ARG 54 18.617 22.718 7.600 394 1HD ARG 54 2HD ARG 54 20.716 22.161 8.042 395 2HD ARG 54 1HD ARG 54 20.147 20.555 8.483 396 HE ARG 54 HE ARG 54 20.427 20.576 5.727 397 1HH1 ARG 54 1HH1 ARG 54 22.501 20.943 8.521 398 2HH1 ARG 54 2HH1 ARG 54 23.897 20.310 7.718 399 1HH2 ARG 54 1HH2 ARG 54 22.266 19.744 4.681 400 2HH2 ARG 54 2HH2 ARG 54 23.765 19.630 5.541 401 H LEU 55 H LEU 55 14.876 21.665 8.191 402 HA LEU 55 HA LEU 55 14.917 24.238 7.139 403 1HB LEU 55 2HB LEU 55 12.546 22.672 8.153 404 2HB LEU 55 1HB LEU 55 12.471 24.047 7.064 405 HG LEU 55 HG LEU 55 14.118 21.692 6.275 406 1HD1 LEU 55 1HD1 LEU 55 11.520 21.275 7.036 407 2HD1 LEU 55 2HD1 LEU 55 12.423 20.297 5.879 408 3HD1 LEU 55 3HD1 LEU 55 11.370 21.589 5.307 409 1HD2 LEU 55 1HD2 LEU 55 13.919 22.534 4.179 410 2HD2 LEU 55 2HD2 LEU 55 13.786 24.023 5.115 411 3HD2 LEU 55 3HD2 LEU 55 12.334 23.240 4.489 412 H THR 56 H THR 56 14.280 23.148 10.379 413 HA THR 56 HA THR 56 13.104 25.594 11.292 414 HB THR 56 HB THR 56 12.906 24.590 13.359 415 HG1 THR 56 1HG THR 56 14.488 23.585 14.360 416 1HG2 THR 56 1HG2 THR 56 12.231 22.401 13.153 417 2HG2 THR 56 2HG2 THR 56 13.527 22.007 12.033 418 3HG2 THR 56 3HG2 THR 56 12.151 22.954 11.478 419 H ALA 57 H ALA 57 16.322 24.189 11.242 420 HA ALA 57 HA ALA 57 17.615 26.158 12.806 421 1HB ALA 57 1HB ALA 57 19.510 24.993 12.380 422 2HB ALA 57 2HB ALA 57 19.172 24.868 10.654 423 3HB ALA 57 3HB ALA 57 18.377 23.778 11.788 424 H LEU 58 H LEU 58 16.839 25.872 9.396 425 HA LEU 58 HA LEU 58 18.288 28.250 8.656 426 1HB LEU 58 2HB LEU 58 16.818 26.101 7.313 427 2HB LEU 58 1HB LEU 58 16.616 27.665 6.558 428 HG LEU 58 HG LEU 58 19.395 26.882 7.210 429 1HD1 LEU 58 1HD1 LEU 58 19.628 25.452 5.287 430 2HD1 LEU 58 2HD1 LEU 58 17.917 25.634 4.900 431 3HD1 LEU 58 3HD1 LEU 58 18.404 24.782 6.365 432 1HD2 LEU 58 1HD2 LEU 58 18.033 28.199 4.867 433 2HD2 LEU 58 2HD2 LEU 58 19.769 27.907 4.984 434 3HD2 LEU 58 3HD2 LEU 58 18.976 28.986 6.132 435 H ASN 59 H ASN 59 15.056 27.402 9.628 436 HA ASN 59 HA ASN 59 13.098 28.554 9.780 437 1HB ASN 59 2HB ASN 59 13.283 30.705 10.935 438 2HB ASN 59 1HB ASN 59 14.370 29.511 11.633 439 1HD2 ASN 59 1HD2 ASN 59 16.607 29.685 11.218 440 2HD2 ASN 59 2HD2 ASN 59 17.312 31.194 10.761 441 H LYS 60 H LYS 60 12.804 28.414 7.428 442 HA LYS 60 HA LYS 60 11.914 30.841 6.357 443 1HB LYS 60 2HB LYS 60 14.701 30.122 5.742 444 2HB LYS 60 1HB LYS 60 13.722 30.513 4.334 445 1HG LYS 60 2HG LYS 60 13.064 32.552 5.984 446 2HG LYS 60 1HG LYS 60 14.729 32.244 6.482 447 1HD LYS 60 2HD LYS 60 15.218 33.627 4.766 448 2HD LYS 60 1HD LYS 60 15.004 32.166 3.798 449 1HE LYS 60 2HE LYS 60 12.827 32.782 3.160 450 2HE LYS 60 1HE LYS 60 12.719 34.014 4.416 451 1HZ LYS 60 1HZ LYS 60 13.112 34.824 2.077 452 2HZ LYS 60 2HZ LYS 60 14.673 34.184 2.199 453 3HZ LYS 60 3HZ LYS 60 14.179 35.412 3.251 454 HA PRO 61 HA PRO 61 10.176 31.147 5.623 455 1HB PRO 61 2HB PRO 61 7.589 30.408 5.338 456 2HB PRO 61 1HB PRO 61 8.563 31.062 4.024 457 1HG PRO 61 2HG PRO 61 7.664 28.294 4.499 458 2HG PRO 61 1HG PRO 61 8.102 29.094 2.985 459 1HD PRO 61 2HD PRO 61 9.688 27.303 4.492 460 2HD PRO 61 1HD PRO 61 10.194 28.259 3.089 461 H PHE 62 H PHE 62 7.882 28.555 6.430 462 HA PHE 62 HA PHE 62 8.743 28.629 9.216 463 1HB PHE 62 2HB PHE 62 6.280 29.831 8.175 464 2HB PHE 62 1HB PHE 62 6.005 28.714 9.507 465 HD1 PHE 62 1HD PHE 62 6.303 32.011 8.854 466 HD2 PHE 62 2HD PHE 62 8.058 29.059 11.367 467 HE1 PHE 62 1HE PHE 62 6.958 33.766 10.450 468 HE2 PHE 62 2HE PHE 62 8.716 30.808 12.967 469 HZ PHE 62 HZ PHE 62 8.165 33.164 12.511 470 H LYS 63 H LYS 63 5.743 27.437 7.739 471 HA LYS 63 HA LYS 63 6.163 24.838 8.911 472 1HB LYS 63 2HB LYS 63 3.960 26.066 7.273 473 2HB LYS 63 1HB LYS 63 3.971 24.348 7.647 474 1HG LYS 63 2HG LYS 63 3.559 24.685 9.872 475 2HG LYS 63 1HG LYS 63 4.283 26.294 9.874 476 1HD LYS 63 2HD LYS 63 2.214 26.695 8.188 477 2HD LYS 63 1HD LYS 63 1.531 25.450 9.236 478 1HE LYS 63 2HE LYS 63 2.905 27.854 10.384 479 2HE LYS 63 1HE LYS 63 1.216 27.929 9.882 480 1HZ LYS 63 1HZ LYS 63 0.694 26.156 11.404 481 2HZ LYS 63 2HZ LYS 63 1.478 27.397 12.245 482 3HZ LYS 63 3HZ LYS 63 2.321 25.987 11.839 483 H TYR 64 H TYR 64 7.391 23.341 7.995 484 HA TYR 64 HA TYR 64 7.495 23.235 5.046 485 1HB TYR 64 2HB TYR 64 9.671 21.904 6.545 486 2HB TYR 64 1HB TYR 64 9.739 22.856 5.070 487 HD1 TYR 64 1HD TYR 64 9.942 25.315 5.194 488 HD2 TYR 64 2HD TYR 64 10.023 22.898 8.693 489 HE1 TYR 64 1HE TYR 64 10.884 27.198 6.467 490 HE2 TYR 64 2HE TYR 64 10.963 24.772 9.976 491 HH TYR 64 HH TYR 64 12.144 26.817 9.652 492 H VAL 65 H VAL 65 7.178 21.309 4.026 493 HA VAL 65 HA VAL 65 6.384 19.054 5.735 494 HB VAL 65 HB VAL 65 5.053 20.284 3.524 495 1HG1 VAL 65 1HG1 VAL 65 5.723 17.373 3.045 496 2HG1 VAL 65 2HG1 VAL 65 6.057 18.729 1.972 497 3HG1 VAL 65 3HG1 VAL 65 4.394 18.220 2.255 498 1HG2 VAL 65 1HG2 VAL 65 3.919 19.650 5.486 499 2HG2 VAL 65 2HG2 VAL 65 4.367 17.957 5.259 500 3HG2 VAL 65 3HG2 VAL 65 3.249 18.734 4.136 501 H VAL 66 H VAL 66 7.358 17.083 5.445 502 HA VAL 66 HA VAL 66 9.164 16.809 3.152 503 HB VAL 66 HB VAL 66 10.019 15.800 5.849 504 1HG1 VAL 66 1HG1 VAL 66 11.659 16.528 3.436 505 2HG1 VAL 66 2HG1 VAL 66 10.946 14.934 3.657 506 3HG1 VAL 66 3HG1 VAL 66 12.128 15.534 4.815 507 1HG2 VAL 66 1HG2 VAL 66 9.743 18.255 6.001 508 2HG2 VAL 66 2HG2 VAL 66 10.813 18.441 4.611 509 3HG2 VAL 66 3HG2 VAL 66 11.431 17.756 6.115 510 H THR 67 H THR 67 8.444 15.129 2.024 511 HA THR 67 HA THR 67 7.822 12.676 3.495 512 HB THR 67 HB THR 67 5.641 13.482 3.057 513 HG1 THR 67 1HG THR 67 5.036 11.666 2.234 514 1HG2 THR 67 1HG2 THR 67 5.900 13.690 0.144 515 2HG2 THR 67 2HG2 THR 67 6.633 14.989 1.086 516 3HG2 THR 67 3HG2 THR 67 4.918 14.621 1.275 517 H CYS 68 H CYS 68 8.385 10.801 2.535 518 HA CYS 68 HA CYS 68 9.713 11.002 -0.079 519 1HB CYS 68 2HB CYS 68 10.738 9.747 2.458 520 2HB CYS 68 1HB CYS 68 11.403 9.362 0.876 521 HG CYS 68 HG CYS 68 12.779 11.278 2.063 522 H ILE 69 H ILE 69 9.886 9.058 -1.256 523 HA ILE 69 HA ILE 69 8.223 6.828 -0.351 524 HB ILE 69 HB ILE 69 7.920 8.256 -2.993 525 1HG1 ILE 69 2HG1 ILE 69 5.466 8.202 -2.155 526 2HG1 ILE 69 1HG1 ILE 69 6.188 7.898 -0.578 527 1HG2 ILE 69 1HG2 ILE 69 7.071 5.526 -2.169 528 2HG2 ILE 69 2HG2 ILE 69 7.696 6.091 -3.719 529 3HG2 ILE 69 3HG2 ILE 69 6.037 6.464 -3.248 530 1HD1 ILE 69 1HD1 ILE 69 6.380 10.088 -0.344 531 2HD1 ILE 69 2HD1 ILE 69 5.906 10.364 -2.021 532 3HD1 ILE 69 3HD1 ILE 69 7.597 10.063 -1.620 533 H ILE 70 H ILE 70 9.360 5.020 -0.507 534 HA ILE 70 HA ILE 70 11.855 4.962 -1.921 535 HB ILE 70 HB ILE 70 12.097 2.689 -1.053 536 1HG1 ILE 70 2HG1 ILE 70 10.149 2.144 0.702 537 2HG1 ILE 70 1HG1 ILE 70 9.197 3.038 -0.478 538 1HG2 ILE 70 1HG2 ILE 70 11.753 3.313 1.434 539 2HG2 ILE 70 2HG2 ILE 70 11.275 4.886 0.799 540 3HG2 ILE 70 3HG2 ILE 70 12.885 4.249 0.459 541 1HD1 ILE 70 1HD1 ILE 70 10.953 0.991 -1.619 542 2HD1 ILE 70 2HD1 ILE 70 9.268 1.375 -1.971 543 3HD1 ILE 70 3HD1 ILE 70 9.672 0.380 -0.572 544 H MET 71 H MET 71 12.407 3.859 -3.727 545 HA MET 71 HA MET 71 10.247 2.478 -5.176 546 1HB MET 71 2HB MET 71 11.307 4.844 -5.966 547 2HB MET 71 1HB MET 71 12.395 3.726 -6.777 548 1HG MET 71 2HG MET 71 9.407 3.555 -7.004 549 2HG MET 71 1HG MET 71 10.406 4.504 -8.102 550 1HE MET 71 1HE MET 71 9.885 3.615 -10.141 551 2HE MET 71 2HE MET 71 8.753 2.306 -9.799 552 3HE MET 71 3HE MET 71 10.199 1.992 -10.758 553 H GLN 72 H GLN 72 10.888 0.444 -4.521 554 HA GLN 72 HA GLN 72 13.569 -0.478 -4.649 555 1HB GLN 72 2HB GLN 72 11.910 -1.493 -3.159 556 2HB GLN 72 1HB GLN 72 10.977 -2.028 -4.551 557 1HG GLN 72 2HG GLN 72 13.333 -3.160 -5.137 558 2HG GLN 72 1HG GLN 72 13.443 -3.136 -3.377 559 1HE2 GLN 72 1HE2 GLN 72 11.494 -3.988 -2.230 560 2HE2 GLN 72 2HE2 GLN 72 10.730 -5.386 -2.898 561 H LYS 73 H LYS 73 14.697 -0.910 -6.427 562 HA LYS 73 HA LYS 73 15.244 -1.513 -8.551 563 1HB LYS 73 2HB LYS 73 13.626 -3.503 -7.603 564 2HB LYS 73 1HB LYS 73 12.771 -3.035 -9.066 565 1HG LYS 73 2HG LYS 73 15.019 -3.275 -10.250 566 2HG LYS 73 1HG LYS 73 15.553 -4.115 -8.792 567 1HD LYS 73 2HD LYS 73 12.977 -5.010 -9.909 568 2HD LYS 73 1HD LYS 73 14.394 -5.338 -10.906 569 1HE LYS 73 2HE LYS 73 15.461 -6.328 -8.842 570 2HE LYS 73 1HE LYS 73 13.878 -6.217 -8.074 571 1HZ LYS 73 1HZ LYS 73 13.194 -7.478 -10.278 572 2HZ LYS 73 2HZ LYS 73 13.737 -8.304 -8.906 573 3HZ LYS 73 3HZ LYS 73 14.799 -8.007 -10.188 574 H ASN 74 H ASN 74 13.445 -2.020 -10.789 575 HA ASN 74 HA ASN 74 12.097 0.576 -11.032 576 1HB ASN 74 2HB ASN 74 12.851 0.236 -13.588 577 2HB ASN 74 1HB ASN 74 13.821 1.128 -12.425 578 1HD2 ASN 74 1HD2 ASN 74 15.759 0.735 -13.404 579 2HD2 ASN 74 2HD2 ASN 74 16.493 -0.828 -13.472 580 H GLY 75 H GLY 75 12.509 -2.065 -13.353 581 1HA GLY 75 2HA GLY 75 10.903 -3.111 -14.662 582 2HA GLY 75 1HA GLY 75 10.420 -3.688 -13.081 583 H ALA 76 H ALA 76 8.649 -2.740 -12.042 584 HA ALA 76 HA ALA 76 6.570 -1.899 -13.809 585 1HB ALA 76 1HB ALA 76 5.760 -3.189 -12.082 586 2HB ALA 76 2HB ALA 76 5.361 -1.565 -11.523 587 3HB ALA 76 3HB ALA 76 6.772 -2.398 -10.873 588 H GLY 77 H GLY 77 5.618 0.079 -14.066 589 1HA GLY 77 2HA GLY 77 7.227 2.372 -13.359 590 2HA GLY 77 1HA GLY 77 5.772 2.380 -14.343 591 H LEU 78 H LEU 78 6.347 4.306 -12.370 592 HA LEU 78 HA LEU 78 4.109 3.810 -10.535 593 1HB LEU 78 2HB LEU 78 6.386 3.501 -9.445 594 2HB LEU 78 1HB LEU 78 6.627 5.221 -9.681 595 HG LEU 78 HG LEU 78 4.161 4.350 -8.259 596 1HD1 LEU 78 1HD1 LEU 78 5.652 2.986 -7.077 597 2HD1 LEU 78 2HD1 LEU 78 5.545 4.464 -6.118 598 3HD1 LEU 78 3HD1 LEU 78 6.946 4.183 -7.153 599 1HD2 LEU 78 1HD2 LEU 78 6.083 6.641 -7.868 600 2HD2 LEU 78 2HD2 LEU 78 4.541 6.418 -7.043 601 3HD2 LEU 78 3HD2 LEU 78 4.576 6.711 -8.780 602 H HIS 79 H HIS 79 2.712 5.462 -10.339 603 HA HIS 79 HA HIS 79 3.528 8.134 -11.224 604 1HB HIS 79 2HB HIS 79 0.915 6.904 -12.101 605 2HB HIS 79 1HB HIS 79 1.633 8.416 -12.646 606 HD1 HIS 79 1HD HIS 79 4.257 7.809 -13.700 607 HD2 HIS 79 2HD HIS 79 1.168 5.051 -14.037 608 HE1 HIS 79 1HE HIS 79 4.914 6.291 -15.595 609 HE2 HIS 79 2HE HIS 79 3.059 4.594 -15.740 610 H THR 80 H THR 80 2.409 9.836 -10.258 611 HA THR 80 HA THR 80 0.608 9.063 -8.056 612 HB THR 80 HB THR 80 2.581 11.353 -8.069 613 HG1 THR 80 1HG THR 80 3.505 9.208 -7.917 614 1HG2 THR 80 1HG2 THR 80 0.493 10.504 -6.170 615 2HG2 THR 80 2HG2 THR 80 1.167 12.102 -6.485 616 3HG2 THR 80 3HG2 THR 80 2.057 10.950 -5.489 617 H ALA 81 H ALA 81 -1.031 10.562 -7.467 618 HA ALA 81 HA ALA 81 -1.591 12.690 -9.417 619 1HB ALA 81 1HB ALA 81 -3.875 11.024 -8.483 620 2HB ALA 81 2HB ALA 81 -2.849 10.401 -9.775 621 3HB ALA 81 3HB ALA 81 -3.683 11.941 -9.977 622 H ALA 82 H ALA 82 -2.778 14.449 -8.575 623 HA ALA 82 HA ALA 82 -3.772 14.331 -5.877 624 1HB ALA 82 1HB ALA 82 -1.390 16.064 -6.443 625 2HB ALA 82 2HB ALA 82 -1.376 14.572 -5.503 626 3HB ALA 82 3HB ALA 82 -2.286 15.968 -4.927 627 H SER 83 H SER 83 -5.130 15.920 -5.330 628 HA SER 83 HA SER 83 -5.437 18.258 -7.042 629 1HB SER 83 2HB SER 83 -6.942 16.356 -7.859 630 2HB SER 83 1HB SER 83 -7.828 16.546 -6.347 631 HG SER 83 HG SER 83 -8.748 18.257 -7.138 632 H CYS 84 H CYS 84 -5.450 19.943 -5.688 633 HA CYS 84 HA CYS 84 -6.552 19.547 -2.990 634 1HB CYS 84 2HB CYS 84 -4.595 21.669 -3.782 635 2HB CYS 84 1HB CYS 84 -5.028 21.159 -2.160 636 HG CYS 84 HG CYS 84 -2.863 19.955 -2.479 637 H TRP 85 H TRP 85 -7.658 21.282 -1.985 638 HA TRP 85 HA TRP 85 -9.481 22.610 -3.739 639 1HB TRP 85 2HB TRP 85 -9.609 21.715 -1.166 640 2HB TRP 85 1HB TRP 85 -9.402 23.444 -0.907 641 HD1 TRP 85 HD TRP 85 -11.461 21.801 -3.718 642 HE1 TRP 85 1HE TRP 85 -13.890 22.582 -3.489 643 HE3 TRP 85 3HE TRP 85 -11.052 24.477 0.616 644 HZ2 TRP 85 2HZ TRP 85 -15.447 24.133 -1.712 645 HZ3 TRP 85 3HZ TRP 85 -13.060 25.580 1.515 646 HH2 TRP 85 HH TRP 85 -15.211 25.411 0.373 647 H TRP 86 H TRP 86 -7.513 24.009 -1.103 648 HA TRP 86 HA TRP 86 -6.886 26.269 -2.879 649 1HB TRP 86 2HB TRP 86 -7.641 26.502 0.042 650 2HB TRP 86 1HB TRP 86 -7.211 27.830 -1.031 651 HD1 TRP 86 HD TRP 86 -10.153 26.276 0.382 652 HE1 TRP 86 1HE TRP 86 -12.265 26.806 -0.989 653 HE3 TRP 86 3HE TRP 86 -7.937 28.034 -3.877 654 HZ2 TRP 86 2HZ TRP 86 -12.908 27.836 -3.538 655 HZ3 TRP 86 3HZ TRP 86 -9.371 28.772 -5.735 656 HH2 TRP 86 HH TRP 86 -11.805 28.675 -5.567 657 H ASP 87 H ASP 87 -4.997 27.542 -2.155 658 HA ASP 87 HA ASP 87 -3.221 26.679 -0.165 659 1HB ASP 87 2HB ASP 87 -3.252 24.842 -2.174 660 2HB ASP 87 1HB ASP 87 -1.966 25.907 -2.729 661 H SER 88 H SER 88 -3.818 29.135 -0.499 662 HA SER 88 HA SER 88 -2.188 30.485 -2.462 663 1HB SER 88 2HB SER 88 -4.528 31.166 -1.402 664 2HB SER 88 1HB SER 88 -3.485 31.982 -0.237 665 HG SER 88 HG SER 88 -3.498 32.332 -3.053 666 H THR 89 H THR 89 -2.001 29.785 0.980 667 HA THR 89 HA THR 89 0.483 31.355 1.128 668 HB THR 89 HB THR 89 -1.258 31.990 2.737 669 HG1 THR 89 1HG THR 89 0.983 32.115 3.312 670 1HG2 THR 89 1HG2 THR 89 -2.131 29.576 2.968 671 2HG2 THR 89 2HG2 THR 89 -2.126 30.630 4.383 672 3HG2 THR 89 3HG2 THR 89 -0.866 29.411 4.185 673 H THR 90 H THR 90 -0.874 28.229 2.175 674 HA THR 90 HA THR 90 1.782 27.235 2.751 675 HB THR 90 HB THR 90 0.701 25.400 3.803 676 HG1 THR 90 1HG THR 90 -0.802 24.634 2.498 677 1HG2 THR 90 1HG2 THR 90 -1.416 27.432 4.290 678 2HG2 THR 90 2HG2 THR 90 0.240 27.738 4.816 679 3HG2 THR 90 3HG2 THR 90 -0.631 26.327 5.417 680 H ASP 91 H ASP 91 2.095 27.676 0.272 681 HA ASP 91 HA ASP 91 1.690 25.091 -1.054 682 1HB ASP 91 2HB ASP 91 0.002 26.651 -1.918 683 2HB ASP 91 1HB ASP 91 1.276 27.776 -2.380 684 H GLY 92 H GLY 92 3.329 24.329 -2.211 685 1HA GLY 92 2HA GLY 92 5.456 25.894 -3.271 686 2HA GLY 92 1HA GLY 92 5.941 25.112 -1.769 687 H SER 93 H SER 93 5.579 22.772 -1.637 688 HA SER 93 HA SER 93 6.032 20.673 -2.356 689 1HB SER 93 2HB SER 93 4.644 19.830 -4.061 690 2HB SER 93 1HB SER 93 3.742 21.186 -3.383 691 HG SER 93 HG SER 93 4.747 20.843 -5.895 692 H ARG 94 H ARG 94 7.969 19.974 -2.878 693 HA ARG 94 HA ARG 94 8.994 20.402 -5.558 694 1HB ARG 94 2HB ARG 94 9.986 21.891 -3.296 695 2HB ARG 94 1HB ARG 94 11.255 20.856 -3.936 696 1HG ARG 94 2HG ARG 94 11.598 22.660 -5.248 697 2HG ARG 94 1HG ARG 94 10.370 21.865 -6.231 698 1HD ARG 94 2HD ARG 94 9.042 23.459 -4.287 699 2HD ARG 94 1HD ARG 94 10.297 24.445 -5.036 700 HE ARG 94 HE ARG 94 9.035 23.217 -7.128 701 1HH1 ARG 94 1HH1 ARG 94 8.005 25.282 -4.498 702 2HH1 ARG 94 2HH1 ARG 94 6.700 25.976 -5.397 703 1HH2 ARG 94 1HH2 ARG 94 7.320 24.137 -8.301 704 2HH2 ARG 94 2HH2 ARG 94 6.309 25.328 -7.552 705 H THR 95 H THR 95 9.053 18.282 -6.064 706 HA THR 95 HA THR 95 10.118 16.361 -4.168 707 HB THR 95 HB THR 95 8.053 15.831 -5.374 708 HG1 THR 95 1HG THR 95 8.919 13.964 -4.896 709 1HG2 THR 95 1HG2 THR 95 9.628 16.559 -7.673 710 2HG2 THR 95 2HG2 THR 95 7.884 16.350 -7.508 711 3HG2 THR 95 3HG2 THR 95 8.912 14.955 -7.838 712 H VAL 96 H VAL 96 11.818 14.944 -4.585 713 HA VAL 96 HA VAL 96 13.594 15.637 -6.825 714 HB VAL 96 HB VAL 96 14.824 14.931 -4.194 715 1HG1 VAL 96 1HG1 VAL 96 16.392 14.943 -5.890 716 2HG1 VAL 96 2HG1 VAL 96 16.559 16.556 -5.198 717 3HG1 VAL 96 3HG1 VAL 96 15.659 16.330 -6.696 718 1HG2 VAL 96 1HG2 VAL 96 13.590 17.556 -4.874 719 2HG2 VAL 96 2HG2 VAL 96 15.113 17.535 -3.985 720 3HG2 VAL 96 3HG2 VAL 96 13.694 16.726 -3.320 721 H ARG 97 H ARG 97 14.818 13.914 -7.645 722 HA ARG 97 HA ARG 97 14.058 11.268 -6.586 723 1HB ARG 97 2HB ARG 97 14.715 12.008 -9.440 724 2HB ARG 97 1HB ARG 97 14.264 10.408 -8.867 725 1HG ARG 97 2HG ARG 97 12.360 12.553 -8.224 726 2HG ARG 97 1HG ARG 97 12.541 12.184 -9.940 727 1HD ARG 97 2HD ARG 97 12.377 9.692 -8.911 728 2HD ARG 97 1HD ARG 97 11.375 10.578 -7.762 729 HE ARG 97 HE ARG 97 9.762 10.624 -9.357 730 1HH1 ARG 97 1HH1 ARG 97 12.847 10.389 -10.992 731 2HH1 ARG 97 2HH1 ARG 97 12.139 10.324 -12.571 732 1HH2 ARG 97 1HH2 ARG 97 8.842 10.538 -11.435 733 2HH2 ARG 97 2HH2 ARG 97 9.871 10.409 -12.822 734 H TRP 98 H TRP 98 15.684 10.345 -5.550 735 HA TRP 98 HA TRP 98 18.454 10.850 -6.397 736 1HB TRP 98 2HB TRP 98 17.101 10.113 -3.879 737 2HB TRP 98 1HB TRP 98 18.569 9.201 -4.174 738 HD1 TRP 98 HD TRP 98 17.729 11.775 -2.082 739 HE1 TRP 98 1HE TRP 98 19.587 13.515 -1.748 740 HE3 TRP 98 3HE TRP 98 20.604 10.758 -6.198 741 HZ2 TRP 98 2HZ TRP 98 21.892 14.394 -3.029 742 HZ3 TRP 98 3HZ TRP 98 22.631 12.109 -6.562 743 HH2 TRP 98 HH TRP 98 23.265 13.886 -5.011 744 H GLU 99 H GLU 99 19.773 9.219 -7.138 745 HA GLU 99 HA GLU 99 18.817 6.475 -7.130 746 1HB GLU 99 2HB GLU 99 19.534 7.889 -9.697 747 2HB GLU 99 1HB GLU 99 19.129 6.189 -9.539 748 1HG GLU 99 2HG GLU 99 16.891 6.955 -8.634 749 2HG GLU 99 1HG GLU 99 17.334 8.567 -9.195 750 H ASN 100 H ASN 100 20.463 4.926 -7.650 751 HA ASN 100 HA ASN 100 23.198 6.008 -7.518 752 1HB ASN 100 2HB ASN 100 23.688 3.815 -6.208 753 2HB ASN 100 1HB ASN 100 22.953 5.169 -5.357 754 1HD2 ASN 100 1HD2 ASN 100 20.504 5.128 -5.376 755 2HD2 ASN 100 2HD2 ASN 100 19.759 3.598 -5.081 756 H LYS 101 H LYS 101 21.432 2.969 -8.135 757 HA LYS 101 HA LYS 101 22.735 2.704 -10.701 758 1HB LYS 101 2HB LYS 101 23.530 0.361 -10.127 759 2HB LYS 101 1HB LYS 101 24.461 1.689 -9.451 760 1HG LYS 101 2HG LYS 101 24.298 0.411 -7.595 761 2HG LYS 101 1HG LYS 101 22.791 1.309 -7.419 762 1HD LYS 101 2HD LYS 101 21.843 -0.717 -7.244 763 2HD LYS 101 1HD LYS 101 22.009 -0.769 -8.999 764 1HE LYS 101 2HE LYS 101 23.481 -2.434 -8.885 765 2HE LYS 101 1HE LYS 101 24.458 -1.579 -7.693 766 1HZ LYS 101 1HZ LYS 101 21.967 -3.001 -6.959 767 2HZ LYS 101 2HZ LYS 101 23.213 -2.479 -5.942 768 3HZ LYS 101 3HZ LYS 101 23.469 -3.780 -6.992 769 H SER 102 H SER 102 20.727 1.119 -8.241 770 HA SER 102 HA SER 102 18.884 0.325 -10.388 771 1HB SER 102 2HB SER 102 20.145 -1.671 -9.775 772 2HB SER 102 1HB SER 102 19.759 -1.418 -8.072 773 HG SER 102 HG SER 102 18.198 -2.763 -8.634 774 H MET 103 H MET 103 19.301 0.703 -6.883 775 HA MET 103 HA MET 103 16.494 0.885 -6.367 776 1HB MET 103 2HB MET 103 18.654 0.373 -4.812 777 2HB MET 103 1HB MET 103 18.377 2.063 -4.413 778 1HG MET 103 2HG MET 103 17.209 0.760 -2.824 779 2HG MET 103 1HG MET 103 16.008 1.469 -3.900 780 1HE MET 103 1HE MET 103 16.394 -1.397 -1.869 781 2HE MET 103 2HE MET 103 15.119 -2.353 -2.623 782 3HE MET 103 3HE MET 103 14.830 -0.660 -2.222 783 H TYR 104 H TYR 104 15.197 2.652 -6.236 784 HA TYR 104 HA TYR 104 16.474 5.289 -6.579 785 1HB TYR 104 2HB TYR 104 13.883 4.428 -7.879 786 2HB TYR 104 1HB TYR 104 14.703 5.971 -8.085 787 HD1 TYR 104 1HD TYR 104 13.877 3.510 -10.027 788 HD2 TYR 104 2HD TYR 104 17.506 5.061 -8.438 789 HE1 TYR 104 1HE TYR 104 15.105 2.591 -11.950 790 HE2 TYR 104 2HE TYR 104 18.744 4.148 -10.356 791 HH TYR 104 HH TYR 104 18.234 3.489 -12.732 792 H CYS 105 H CYS 105 15.793 6.857 -5.242 793 HA CYS 105 HA CYS 105 13.357 6.365 -3.662 794 1HB CYS 105 2HB CYS 105 14.528 7.415 -1.718 795 2HB CYS 105 1HB CYS 105 15.209 5.869 -2.209 796 HG CYS 105 HG CYS 105 17.251 7.101 -3.177 797 H ILE 106 H ILE 106 12.000 8.056 -3.434 798 HA ILE 106 HA ILE 106 12.855 10.613 -4.625 799 HB ILE 106 HB ILE 106 11.074 9.680 -5.905 800 1HG1 ILE 106 2HG1 ILE 106 9.371 11.501 -4.308 801 2HG1 ILE 106 1HG1 ILE 106 10.901 12.173 -4.866 802 1HG2 ILE 106 1HG2 ILE 106 9.924 9.027 -3.255 803 2HG2 ILE 106 2HG2 ILE 106 10.025 8.055 -4.722 804 3HG2 ILE 106 3HG2 ILE 106 8.817 9.332 -4.592 805 1HD1 ILE 106 1HD1 ILE 106 8.613 12.201 -6.285 806 2HD1 ILE 106 2HD1 ILE 106 9.359 10.724 -6.897 807 3HD1 ILE 106 3HD1 ILE 106 10.224 12.258 -7.001 808 H CYS 107 H CYS 107 12.562 12.508 -3.539 809 HA CYS 107 HA CYS 107 11.301 12.438 -0.891 810 1HB CYS 107 2HB CYS 107 13.200 13.736 0.048 811 2HB CYS 107 1HB CYS 107 13.666 12.117 -0.457 812 HG CYS 107 HG CYS 107 15.312 13.091 -1.973 813 H THR 108 H THR 108 9.839 14.047 -0.765 814 HA THR 108 HA THR 108 10.316 16.438 -2.404 815 HB THR 108 HB THR 108 8.383 14.971 -3.089 816 HG1 THR 108 1HG THR 108 7.071 16.732 -3.469 817 1HG2 THR 108 1HG2 THR 108 6.348 14.990 -1.870 818 2HG2 THR 108 2HG2 THR 108 7.010 16.089 -0.660 819 3HG2 THR 108 3HG2 THR 108 7.610 14.435 -0.769 820 H VAL 109 H VAL 109 9.849 18.437 -1.617 821 HA VAL 109 HA VAL 109 9.252 18.601 1.250 822 HB VAL 109 HB VAL 109 10.903 20.820 0.251 823 1HG1 VAL 109 1HG1 VAL 109 12.136 20.139 2.429 824 2HG1 VAL 109 2HG1 VAL 109 10.724 19.116 2.695 825 3HG1 VAL 109 3HG1 VAL 109 10.529 20.860 2.521 826 1HG2 VAL 109 1HG2 VAL 109 12.102 18.065 0.424 827 2HG2 VAL 109 2HG2 VAL 109 13.036 19.561 0.460 828 3HG2 VAL 109 3HG2 VAL 109 12.089 19.148 -0.968 829 H PHE 110 H PHE 110 7.608 19.950 1.733 830 HA PHE 110 HA PHE 110 6.757 21.795 -0.381 831 1HB PHE 110 2HB PHE 110 5.069 20.441 1.688 832 2HB PHE 110 1HB PHE 110 4.503 21.755 0.703 833 HD1 PHE 110 1HD PHE 110 6.531 18.729 -0.209 834 HD2 PHE 110 2HD PHE 110 2.915 20.926 -0.689 835 HE1 PHE 110 1HE PHE 110 5.811 17.175 -1.967 836 HE2 PHE 110 2HE PHE 110 2.195 19.366 -2.443 837 HZ PHE 110 HZ PHE 110 3.645 17.485 -3.084 838 H GLY 111 H GLY 111 7.656 23.653 0.078 839 1HA GLY 111 2HA GLY 111 7.977 24.584 2.797 840 2HA GLY 111 1HA GLY 111 8.450 25.444 1.337 841 H LEU 112 H LEU 112 5.901 24.840 3.619 842 HA LEU 112 HA LEU 112 4.045 26.582 2.210 843 1HB LEU 112 2HB LEU 112 3.836 24.949 4.732 844 2HB LEU 112 1HB LEU 112 2.560 26.011 4.181 845 HG LEU 112 HG LEU 112 1.863 24.553 2.571 846 1HD1 LEU 112 1HD1 LEU 112 4.499 23.204 2.271 847 2HD1 LEU 112 2HD1 LEU 112 4.094 24.655 1.365 848 3HD1 LEU 112 3HD1 LEU 112 3.130 23.194 1.171 849 1HD2 LEU 112 1HD2 LEU 112 1.786 22.389 3.373 850 2HD2 LEU 112 2HD2 LEU 112 2.032 23.387 4.807 851 3HD2 LEU 112 3HD2 LEU 112 3.389 22.510 4.100 852 H ALA 113 H ALA 113 3.520 28.622 2.786 853 HA ALA 113 HA ALA 113 5.236 29.922 4.734 854 1HB ALA 113 1HB ALA 113 3.637 31.907 3.827 855 2HB ALA 113 2HB ALA 113 3.567 30.780 2.472 856 3HB ALA 113 3HB ALA 113 5.124 31.388 3.033 857 H ILE 114 H ILE 114 4.256 28.769 6.568 858 HA ILE 114 HA ILE 114 2.980 28.764 8.454 859 HB ILE 114 HB ILE 114 1.842 31.388 7.493 860 1HG1 ILE 114 2HG1 ILE 114 3.753 32.104 9.266 861 2HG1 ILE 114 1HG1 ILE 114 4.515 30.683 8.560 862 1HG2 ILE 114 1HG2 ILE 114 0.576 30.722 9.317 863 2HG2 ILE 114 2HG2 ILE 114 1.821 31.728 10.057 864 3HG2 ILE 114 3HG2 ILE 114 1.950 29.971 10.126 865 1HD1 ILE 114 1HD1 ILE 114 3.364 32.582 6.638 866 2HD1 ILE 114 2HD1 ILE 114 4.894 31.706 6.600 867 3HD1 ILE 114 3HD1 ILE 114 4.740 33.171 7.570 868 1H MET 1 1HT MET 1 -20.023 -13.437 -6.513 869 HA MET 1 HA MET 1 -18.987 -13.935 -8.634 870 1HB MET 1 2HB MET 1 -19.507 -11.684 -9.596 871 2HB MET 1 1HB MET 1 -18.315 -10.988 -8.505 872 1HG MET 1 2HG MET 1 -17.214 -11.216 -10.550 873 2HG MET 1 1HG MET 1 -16.639 -12.564 -9.568 874 1HE MET 1 1HE MET 1 -18.442 -12.310 -13.484 875 2HE MET 1 2HE MET 1 -18.729 -11.178 -12.162 876 3HE MET 1 3HE MET 1 -19.910 -12.439 -12.515 877 H GLU 2 H GLU 2 -17.570 -15.171 -7.567 878 HA GLU 2 HA GLU 2 -16.009 -14.155 -5.370 879 1HB GLU 2 2HB GLU 2 -16.975 -16.580 -5.823 880 2HB GLU 2 1HB GLU 2 -15.430 -16.796 -6.635 881 1HG GLU 2 2HG GLU 2 -14.217 -16.503 -4.672 882 2HG GLU 2 1HG GLU 2 -15.566 -15.728 -3.843 883 H GLY 3 H GLY 3 -13.614 -14.553 -5.308 884 1HA GLY 3 2HA GLY 3 -11.514 -14.664 -6.412 885 2HA GLY 3 1HA GLY 3 -12.320 -14.281 -7.926 886 H VAL 4 H VAL 4 -13.743 -12.022 -7.231 887 HA VAL 4 HA VAL 4 -11.574 -10.088 -7.007 888 HB VAL 4 HB VAL 4 -14.483 -9.543 -7.601 889 1HG1 VAL 4 1HG1 VAL 4 -13.798 -7.424 -8.349 890 2HG1 VAL 4 2HG1 VAL 4 -12.096 -7.888 -8.369 891 3HG1 VAL 4 3HG1 VAL 4 -12.933 -7.674 -6.832 892 1HG2 VAL 4 1HG2 VAL 4 -13.774 -11.021 -9.308 893 2HG2 VAL 4 2HG2 VAL 4 -12.208 -10.221 -9.451 894 3HG2 VAL 4 3HG2 VAL 4 -13.671 -9.398 -9.992 895 H ASP 5 H ASP 5 -11.132 -9.062 -5.174 896 HA ASP 5 HA ASP 5 -13.194 -8.986 -3.075 897 1HB ASP 5 2HB ASP 5 -11.028 -10.247 -2.640 898 2HB ASP 5 1HB ASP 5 -10.225 -8.681 -2.652 899 HA PRO 6 HA PRO 6 -12.964 -4.566 -4.216 900 1HB PRO 6 2HB PRO 6 -15.155 -3.832 -2.753 901 2HB PRO 6 1HB PRO 6 -15.245 -4.485 -4.393 902 1HG PRO 6 2HG PRO 6 -15.645 -5.876 -1.775 903 2HG PRO 6 1HG PRO 6 -16.578 -6.024 -3.276 904 1HD PRO 6 2HD PRO 6 -14.747 -7.857 -2.556 905 2HD PRO 6 1HD PRO 6 -15.019 -7.424 -4.257 906 H ALA 7 H ALA 7 -11.459 -3.422 -3.213 907 HA ALA 7 HA ALA 7 -10.338 -2.239 -1.620 908 1HB ALA 7 1HB ALA 7 -11.931 -1.091 -0.552 909 2HB ALA 7 2HB ALA 7 -11.750 -2.286 0.732 910 3HB ALA 7 3HB ALA 7 -13.016 -2.479 -0.480 911 H VAL 8 H VAL 8 -11.994 -4.782 0.235 912 HA VAL 8 HA VAL 8 -11.226 -6.537 1.477 913 HB VAL 8 HB VAL 8 -8.359 -6.293 0.753 914 1HG1 VAL 8 1HG1 VAL 8 -10.366 -8.410 1.249 915 2HG1 VAL 8 2HG1 VAL 8 -8.724 -8.226 1.866 916 3HG1 VAL 8 3HG1 VAL 8 -8.989 -8.805 0.222 917 1HG2 VAL 8 1HG2 VAL 8 -10.455 -6.539 -1.312 918 2HG2 VAL 8 2HG2 VAL 8 -9.064 -7.619 -1.428 919 3HG2 VAL 8 3HG2 VAL 8 -8.827 -5.874 -1.404 920 H GLU 9 H GLU 9 -8.456 -4.358 1.254 921 HA GLU 9 HA GLU 9 -8.166 -4.426 4.145 922 1HB GLU 9 2HB GLU 9 -6.256 -2.836 2.563 923 2HB GLU 9 1HB GLU 9 -5.971 -4.031 3.805 924 1HG GLU 9 2HG GLU 9 -6.735 -5.679 1.882 925 2HG GLU 9 1HG GLU 9 -6.140 -4.357 0.878 926 H GLU 10 H GLU 10 -10.050 -3.144 4.585 927 HA GLU 10 HA GLU 10 -10.369 -0.507 3.607 928 1HB GLU 10 2HB GLU 10 -12.177 -1.922 4.618 929 2HB GLU 10 1HB GLU 10 -11.446 -1.641 6.192 930 1HG GLU 10 2HG GLU 10 -12.029 0.772 4.618 931 2HG GLU 10 1HG GLU 10 -13.432 -0.153 5.151 932 H ALA 11 H ALA 11 -9.188 1.208 4.043 933 HA ALA 11 HA ALA 11 -7.734 1.328 6.601 934 1HB ALA 11 1HB ALA 11 -7.008 2.131 3.844 935 2HB ALA 11 2HB ALA 11 -6.015 1.431 5.121 936 3HB ALA 11 3HB ALA 11 -6.425 3.144 5.164 937 H ALA 12 H ALA 12 -7.382 3.548 7.454 938 HA ALA 12 HA ALA 12 -8.055 5.640 8.080 939 1HB ALA 12 1HB ALA 12 -10.126 5.607 5.894 940 2HB ALA 12 2HB ALA 12 -8.439 6.032 5.614 941 3HB ALA 12 3HB ALA 12 -9.422 7.001 6.708 942 H PHE 13 H PHE 13 -9.096 5.826 9.922 943 HA PHE 13 HA PHE 13 -11.733 4.539 10.197 944 1HB PHE 13 2HB PHE 13 -9.538 3.892 11.615 945 2HB PHE 13 1HB PHE 13 -10.176 5.177 12.635 946 HD1 PHE 13 1HD PHE 13 -12.603 4.988 13.396 947 HD2 PHE 13 2HD PHE 13 -10.412 1.743 11.729 948 HE1 PHE 13 1HE PHE 13 -14.197 3.404 14.397 949 HE2 PHE 13 2HE PHE 13 -12.003 0.152 12.726 950 HZ PHE 13 HZ PHE 13 -13.898 0.983 14.062 951 H VAL 14 H VAL 14 -9.965 7.509 10.486 952 HA VAL 14 HA VAL 14 -12.179 8.776 11.926 953 HB VAL 14 HB VAL 14 -9.547 10.030 11.152 954 1HG1 VAL 14 1HG1 VAL 14 -10.250 11.429 13.244 955 2HG1 VAL 14 2HG1 VAL 14 -11.867 10.851 12.838 956 3HG1 VAL 14 3HG1 VAL 14 -10.943 11.786 11.662 957 1HG2 VAL 14 1HG2 VAL 14 -8.997 8.185 12.556 958 2HG2 VAL 14 2HG2 VAL 14 -10.320 8.555 13.662 959 3HG2 VAL 14 3HG2 VAL 14 -8.932 9.638 13.554 960 H ALA 15 H ALA 15 -13.008 10.842 11.150 961 HA ALA 15 HA ALA 15 -14.047 12.100 9.562 962 1HB ALA 15 1HB ALA 15 -12.693 12.869 7.699 963 2HB ALA 15 2HB ALA 15 -11.533 11.571 7.980 964 3HB ALA 15 3HB ALA 15 -11.737 12.847 9.180 965 H ASP 16 H ASP 16 -15.067 9.639 9.604 966 HA ASP 16 HA ASP 16 -14.958 8.062 7.323 967 1HB ASP 16 2HB ASP 16 -16.133 7.567 9.528 968 2HB ASP 16 1HB ASP 16 -17.478 8.523 8.914 969 H ASP 17 H ASP 17 -16.730 11.027 7.920 970 HA ASP 17 HA ASP 17 -18.557 10.968 5.825 971 1HB ASP 17 2HB ASP 17 -18.249 12.698 7.733 972 2HB ASP 17 1HB ASP 17 -17.151 13.505 6.616 973 H VAL 18 H VAL 18 -15.198 12.096 5.841 974 HA VAL 18 HA VAL 18 -15.257 12.755 3.029 975 HB VAL 18 HB VAL 18 -12.855 12.534 4.849 976 1HG1 VAL 18 1HG1 VAL 18 -11.741 12.838 2.939 977 2HG1 VAL 18 2HG1 VAL 18 -12.379 14.483 2.947 978 3HG1 VAL 18 3HG1 VAL 18 -13.212 13.217 2.046 979 1HG2 VAL 18 1HG2 VAL 18 -14.313 14.114 5.857 980 2HG2 VAL 18 2HG2 VAL 18 -14.695 14.853 4.302 981 3HG2 VAL 18 3HG2 VAL 18 -13.083 15.037 4.994 982 H SER 19 H SER 19 -14.279 10.075 5.044 983 HA SER 19 HA SER 19 -12.641 8.719 3.236 984 1HB SER 19 2HB SER 19 -14.427 7.567 5.386 985 2HB SER 19 1HB SER 19 -13.106 6.711 4.589 986 HG SER 19 HG SER 19 -12.150 7.502 6.351 987 H ASN 20 H ASN 20 -16.148 8.680 3.617 988 HA ASN 20 HA ASN 20 -16.559 6.550 1.774 989 1HB ASN 20 2HB ASN 20 -18.941 7.443 1.732 990 2HB ASN 20 1HB ASN 20 -18.325 6.965 3.310 991 1HD2 ASN 20 1HD2 ASN 20 -18.651 9.786 1.203 992 2HD2 ASN 20 2HD2 ASN 20 -18.914 10.922 2.474 993 H ILE 21 H ILE 21 -16.279 10.028 1.479 994 HA ILE 21 HA ILE 21 -17.322 10.367 -1.106 995 HB ILE 21 HB ILE 21 -15.171 11.934 0.345 996 1HG1 ILE 21 2HG1 ILE 21 -18.127 12.461 0.003 997 2HG1 ILE 21 1HG1 ILE 21 -17.361 11.855 1.467 998 1HG2 ILE 21 1HG2 ILE 21 -16.600 12.497 -2.234 999 2HG2 ILE 21 2HG2 ILE 21 -14.872 12.576 -1.883 1000 3HG2 ILE 21 3HG2 ILE 21 -15.962 13.799 -1.229 1001 1HD1 ILE 21 1HD1 ILE 21 -15.943 14.141 0.921 1002 2HD1 ILE 21 2HD1 ILE 21 -17.248 13.979 2.096 1003 3HD1 ILE 21 3HD1 ILE 21 -17.594 14.565 0.468 1004 H ILE 22 H ILE 22 -13.898 9.994 -0.116 1005 HA ILE 22 HA ILE 22 -12.843 10.020 -2.693 1006 HB ILE 22 HB ILE 22 -11.456 10.270 -0.690 1007 1HG1 ILE 22 2HG1 ILE 22 -9.598 8.669 -1.422 1008 2HG1 ILE 22 1HG1 ILE 22 -10.736 8.078 -2.628 1009 1HG2 ILE 22 1HG2 ILE 22 -12.575 8.530 0.661 1010 2HG2 ILE 22 2HG2 ILE 22 -10.817 8.407 0.679 1011 3HG2 ILE 22 3HG2 ILE 22 -11.768 7.301 -0.311 1012 1HD1 ILE 22 1HD1 ILE 22 -9.628 9.640 -3.851 1013 2HD1 ILE 22 2HD1 ILE 22 -9.328 10.681 -2.459 1014 3HD1 ILE 22 3HD1 ILE 22 -10.927 10.639 -3.200 1015 H LYS 23 H LYS 23 -13.776 7.185 -0.710 1016 HA LYS 23 HA LYS 23 -13.047 5.313 -2.645 1017 1HB LYS 23 2HB LYS 23 -14.709 5.268 -0.191 1018 2HB LYS 23 1HB LYS 23 -14.917 3.943 -1.325 1019 1HG LYS 23 2HG LYS 23 -12.604 3.365 -1.166 1020 2HG LYS 23 1HG LYS 23 -12.269 4.801 -0.196 1021 1HD LYS 23 2HD LYS 23 -13.044 3.860 1.697 1022 2HD LYS 23 1HD LYS 23 -14.389 3.071 0.873 1023 1HE LYS 23 2HE LYS 23 -13.239 1.168 0.528 1024 2HE LYS 23 1HE LYS 23 -11.720 2.014 0.241 1025 1HZ LYS 23 1HZ LYS 23 -12.828 0.981 2.723 1026 2HZ LYS 23 2HZ LYS 23 -12.032 2.469 2.833 1027 3HZ LYS 23 3HZ LYS 23 -11.215 1.117 2.231 1028 H GLU 24 H GLU 24 -16.221 6.701 -1.847 1029 HA GLU 24 HA GLU 24 -17.774 5.414 -3.756 1030 1HB GLU 24 2HB GLU 24 -17.939 8.052 -2.374 1031 2HB GLU 24 1HB GLU 24 -18.980 7.802 -3.755 1032 1HG GLU 24 2HG GLU 24 -20.044 7.276 -1.584 1033 2HG GLU 24 1HG GLU 24 -20.036 5.929 -2.722 1034 H SER 25 H SER 25 -15.602 8.134 -4.063 1035 HA SER 25 HA SER 25 -16.330 8.883 -6.694 1036 1HB SER 25 2HB SER 25 -13.869 9.361 -5.012 1037 2HB SER 25 1HB SER 25 -13.991 9.948 -6.671 1038 HG SER 25 HG SER 25 -15.476 11.370 -6.081 1039 H ILE 26 H ILE 26 -13.749 6.740 -5.408 1040 HA ILE 26 HA ILE 26 -12.584 6.121 -7.893 1041 HB ILE 26 HB ILE 26 -12.549 4.877 -5.201 1042 1HG1 ILE 26 2HG1 ILE 26 -10.074 4.603 -6.097 1043 2HG1 ILE 26 1HG1 ILE 26 -10.630 5.778 -7.284 1044 1HG2 ILE 26 1HG2 ILE 26 -11.182 2.900 -6.270 1045 2HG2 ILE 26 2HG2 ILE 26 -12.245 3.181 -7.645 1046 3HG2 ILE 26 3HG2 ILE 26 -12.929 2.776 -6.071 1047 1HD1 ILE 26 1HD1 ILE 26 -11.495 6.952 -5.054 1048 2HD1 ILE 26 2HD1 ILE 26 -9.897 7.225 -5.745 1049 3HD1 ILE 26 3HD1 ILE 26 -10.101 6.085 -4.415 1050 H ASP 27 H ASP 27 -15.253 4.605 -6.144 1051 HA ASP 27 HA ASP 27 -15.786 2.454 -7.783 1052 1HB ASP 27 2HB ASP 27 -16.933 2.855 -5.654 1053 2HB ASP 27 1HB ASP 27 -17.758 4.243 -6.345 1054 H ALA 28 H ALA 28 -16.623 5.831 -8.218 1055 HA ALA 28 HA ALA 28 -18.130 5.285 -10.652 1056 1HB ALA 28 1HB ALA 28 -19.176 7.016 -9.601 1057 2HB ALA 28 2HB ALA 28 -18.049 7.951 -10.583 1058 3HB ALA 28 3HB ALA 28 -17.684 7.630 -8.888 1059 H VAL 29 H VAL 29 -15.172 6.914 -9.657 1060 HA VAL 29 HA VAL 29 -14.359 7.746 -12.220 1061 HB VAL 29 HB VAL 29 -13.273 7.772 -9.473 1062 1HG1 VAL 29 1HG1 VAL 29 -11.276 6.901 -10.335 1063 2HG1 VAL 29 2HG1 VAL 29 -11.063 8.642 -10.242 1064 3HG1 VAL 29 3HG1 VAL 29 -11.386 7.883 -11.796 1065 1HG2 VAL 29 1HG2 VAL 29 -12.591 10.046 -11.049 1066 2HG2 VAL 29 2HG2 VAL 29 -13.733 9.912 -9.714 1067 3HG2 VAL 29 3HG2 VAL 29 -14.266 9.597 -11.363 1068 H LEU 30 H LEU 30 -14.511 4.627 -10.960 1069 HA LEU 30 HA LEU 30 -12.451 3.737 -12.852 1070 1HB LEU 30 2HB LEU 30 -13.091 2.709 -10.109 1071 2HB LEU 30 1HB LEU 30 -12.389 1.646 -11.309 1072 HG LEU 30 HG LEU 30 -10.588 2.437 -9.995 1073 1HD1 LEU 30 1HD1 LEU 30 -9.177 3.338 -11.587 1074 2HD1 LEU 30 2HD1 LEU 30 -10.451 4.331 -12.290 1075 3HD1 LEU 30 3HD1 LEU 30 -10.438 2.592 -12.573 1076 1HD2 LEU 30 1HD2 LEU 30 -10.367 5.142 -10.169 1077 2HD2 LEU 30 2HD2 LEU 30 -11.030 4.268 -8.790 1078 3HD2 LEU 30 3HD2 LEU 30 -12.110 4.936 -10.008 1079 H GLN 31 H GLN 31 -15.622 3.032 -11.384 1080 HA GLN 31 HA GLN 31 -16.055 0.744 -13.058 1081 1HB GLN 31 2HB GLN 31 -17.146 1.196 -10.800 1082 2HB GLN 31 1HB GLN 31 -18.204 2.297 -11.658 1083 1HG GLN 31 2HG GLN 31 -19.019 0.532 -13.043 1084 2HG GLN 31 1HG GLN 31 -17.895 -0.591 -12.296 1085 1HE2 GLN 31 1HE2 GLN 31 -20.032 1.878 -10.943 1086 2HE2 GLN 31 2HE2 GLN 31 -20.890 0.811 -9.889 1087 H ASN 32 H ASN 32 -16.574 4.175 -13.439 1088 HA ASN 32 HA ASN 32 -18.648 4.239 -15.259 1089 1HB ASN 32 2HB ASN 32 -17.822 6.350 -16.020 1090 2HB ASN 32 1HB ASN 32 -17.463 6.232 -14.305 1091 1HD2 ASN 32 1HD2 ASN 32 -15.255 5.628 -13.714 1092 2HD2 ASN 32 2HD2 ASN 32 -13.956 6.111 -14.743 1093 H GLN 33 H GLN 33 -15.441 3.009 -15.750 1094 HA GLN 33 HA GLN 33 -16.198 2.243 -18.471 1095 1HB GLN 33 2HB GLN 33 -14.529 4.347 -18.121 1096 2HB GLN 33 1HB GLN 33 -13.366 3.028 -18.148 1097 1HG GLN 33 2HG GLN 33 -13.413 3.360 -20.358 1098 2HG GLN 33 1HG GLN 33 -14.880 2.386 -20.285 1099 1HE2 GLN 33 1HE2 GLN 33 -13.946 5.770 -19.728 1100 2HE2 GLN 33 2HE2 GLN 33 -15.255 6.454 -20.625 1101 H GLN 34 H GLN 34 -13.892 0.977 -19.245 1102 HA GLN 34 HA GLN 34 -13.938 -1.359 -17.521 1103 1HB GLN 34 2HB GLN 34 -13.915 -1.104 -20.217 1104 2HB GLN 34 1HB GLN 34 -12.200 -1.346 -19.914 1105 1HG GLN 34 2HG GLN 34 -12.687 -3.515 -20.016 1106 2HG GLN 34 1HG GLN 34 -13.310 -3.302 -18.381 1107 1HE2 GLN 34 1HE2 GLN 34 -15.343 -3.846 -18.021 1108 2HE2 GLN 34 2HE2 GLN 34 -16.550 -4.105 -19.230 1109 H TYR 35 H TYR 35 -11.627 -2.559 -17.599 1110 HA TYR 35 HA TYR 35 -9.907 -0.865 -16.006 1111 1HB TYR 35 2HB TYR 35 -10.251 -3.070 -15.166 1112 2HB TYR 35 1HB TYR 35 -9.880 -3.799 -16.721 1113 HD1 TYR 35 1HD TYR 35 -7.607 -4.213 -17.386 1114 HD2 TYR 35 2HD TYR 35 -8.440 -2.227 -13.716 1115 HE1 TYR 35 1HE TYR 35 -5.278 -4.559 -16.676 1116 HE2 TYR 35 2HE TYR 35 -6.109 -2.568 -12.998 1117 HH TYR 35 HH TYR 35 -4.183 -4.605 -13.919 1118 H SER 36 H SER 36 -8.542 0.449 -16.995 1119 HA SER 36 HA SER 36 -6.866 -0.615 -19.161 1120 1HB SER 36 2HB SER 36 -8.608 1.792 -19.209 1121 2HB SER 36 1HB SER 36 -7.002 1.968 -19.914 1122 HG SER 36 HG SER 36 -9.078 0.956 -21.079 1123 H GLU 37 H GLU 37 -4.720 -0.263 -18.832 1124 HA GLU 37 HA GLU 37 -3.808 0.828 -16.410 1125 1HB GLU 37 2HB GLU 37 -2.514 -0.807 -17.733 1126 2HB GLU 37 1HB GLU 37 -2.225 0.430 -18.951 1127 1HG GLU 37 2HG GLU 37 -0.447 1.116 -17.837 1128 2HG GLU 37 1HG GLU 37 -1.460 1.514 -16.459 1129 H ALA 38 H ALA 38 -4.036 2.212 -19.650 1130 HA ALA 38 HA ALA 38 -2.673 4.610 -19.214 1131 1HB ALA 38 1HB ALA 38 -3.286 4.047 -21.428 1132 2HB ALA 38 2HB ALA 38 -4.193 5.504 -21.023 1133 3HB ALA 38 3HB ALA 38 -4.993 3.932 -21.002 1134 H LYS 39 H LYS 39 -5.814 3.556 -18.206 1135 HA LYS 39 HA LYS 39 -6.576 6.225 -17.297 1136 1HB LYS 39 2HB LYS 39 -7.949 3.801 -18.140 1137 2HB LYS 39 1HB LYS 39 -8.589 4.416 -16.633 1138 1HG LYS 39 2HG LYS 39 -9.831 5.300 -18.492 1139 2HG LYS 39 1HG LYS 39 -8.950 6.600 -17.689 1140 1HD LYS 39 2HD LYS 39 -8.571 7.013 -19.937 1141 2HD LYS 39 1HD LYS 39 -7.126 6.129 -19.447 1142 1HE LYS 39 2HE LYS 39 -8.017 4.083 -20.370 1143 2HE LYS 39 1HE LYS 39 -9.540 4.885 -20.755 1144 1HZ LYS 39 1HZ LYS 39 -8.199 6.394 -22.217 1145 2HZ LYS 39 2HZ LYS 39 -8.293 4.788 -22.739 1146 3HZ LYS 39 3HZ LYS 39 -6.886 5.353 -21.989 1147 H VAL 40 H VAL 40 -5.305 3.237 -16.122 1148 HA VAL 40 HA VAL 40 -6.212 3.037 -13.545 1149 HB VAL 40 HB VAL 40 -3.650 2.299 -14.892 1150 1HG1 VAL 40 1HG1 VAL 40 -3.174 1.028 -12.624 1151 2HG1 VAL 40 2HG1 VAL 40 -3.961 2.453 -11.947 1152 3HG1 VAL 40 3HG1 VAL 40 -2.520 2.634 -12.947 1153 1HG2 VAL 40 1HG2 VAL 40 -5.878 1.039 -14.948 1154 2HG2 VAL 40 2HG2 VAL 40 -5.470 0.536 -13.308 1155 3HG2 VAL 40 3HG2 VAL 40 -4.404 0.119 -14.649 1156 H SER 41 H SER 41 -4.104 5.480 -14.846 1157 HA SER 41 HA SER 41 -3.624 6.506 -12.126 1158 1HB SER 41 2HB SER 41 -1.703 5.965 -13.878 1159 2HB SER 41 1HB SER 41 -2.117 7.573 -14.471 1160 HG SER 41 HG SER 41 -1.549 8.441 -12.539 1161 H GLN 42 H GLN 42 -4.979 7.237 -15.247 1162 HA GLN 42 HA GLN 42 -5.330 10.034 -14.711 1163 1HB GLN 42 2HB GLN 42 -6.287 8.166 -16.860 1164 2HB GLN 42 1HB GLN 42 -6.948 9.788 -16.726 1165 1HG GLN 42 2HG GLN 42 -5.052 9.464 -18.359 1166 2HG GLN 42 1HG GLN 42 -4.896 10.790 -17.214 1167 1HE2 GLN 42 1HE2 GLN 42 -3.504 10.472 -15.369 1168 2HE2 GLN 42 2HE2 GLN 42 -2.152 9.405 -15.493 1169 H TRP 43 H TRP 43 -7.270 7.138 -14.276 1170 HA TRP 43 HA TRP 43 -9.736 8.404 -13.884 1171 1HB TRP 43 2HB TRP 43 -8.600 5.822 -12.908 1172 2HB TRP 43 1HB TRP 43 -10.144 6.387 -12.287 1173 HD1 TRP 43 HD TRP 43 -9.428 3.812 -14.217 1174 HE1 TRP 43 1HE TRP 43 -10.864 3.496 -16.295 1175 HE3 TRP 43 3HE TRP 43 -11.367 8.553 -14.673 1176 HZ2 TRP 43 2HZ TRP 43 -12.579 4.998 -17.938 1177 HZ3 TRP 43 3HZ TRP 43 -12.893 9.007 -16.532 1178 HH2 TRP 43 HH TRP 43 -13.492 7.266 -18.130 1179 H THR 44 H THR 44 -7.365 7.316 -11.489 1180 HA THR 44 HA THR 44 -8.605 8.342 -9.236 1181 HB THR 44 HB THR 44 -6.576 6.816 -9.406 1182 HG1 THR 44 1HG THR 44 -6.636 7.139 -7.368 1183 1HG2 THR 44 1HG2 THR 44 -5.160 9.449 -9.623 1184 2HG2 THR 44 2HG2 THR 44 -5.005 8.032 -10.661 1185 3HG2 THR 44 3HG2 THR 44 -4.401 7.982 -9.005 1186 H SER 45 H SER 45 -6.928 9.988 -11.757 1187 HA SER 45 HA SER 45 -6.401 12.420 -10.369 1188 1HB SER 45 2HB SER 45 -5.576 13.160 -12.386 1189 2HB SER 45 1HB SER 45 -5.613 11.446 -12.763 1190 HG SER 45 HG SER 45 -6.970 11.912 -14.282 1191 H SER 46 H SER 46 -9.022 11.072 -12.262 1192 HA SER 46 HA SER 46 -10.713 13.359 -12.214 1193 1HB SER 46 2HB SER 46 -10.947 10.531 -13.049 1194 2HB SER 46 1HB SER 46 -12.451 11.311 -12.564 1195 HG SER 46 HG SER 46 -11.930 11.538 -14.822 1196 H CYS 47 H CYS 47 -10.328 10.500 -10.172 1197 HA CYS 47 HA CYS 47 -12.546 10.904 -8.476 1198 1HB CYS 47 2HB CYS 47 -11.231 8.825 -8.369 1199 2HB CYS 47 1HB CYS 47 -9.827 9.720 -7.832 1200 HG CYS 47 HG CYS 47 -12.004 8.666 -6.063 1201 H LEU 48 H LEU 48 -9.277 12.135 -8.503 1202 HA LEU 48 HA LEU 48 -9.377 13.481 -6.042 1203 1HB LEU 48 2HB LEU 48 -7.616 13.397 -8.398 1204 2HB LEU 48 1HB LEU 48 -7.562 14.887 -7.488 1205 HG LEU 48 HG LEU 48 -6.635 13.892 -5.624 1206 1HD1 LEU 48 1HD1 LEU 48 -7.471 11.162 -6.586 1207 2HD1 LEU 48 2HD1 LEU 48 -8.364 12.115 -5.408 1208 3HD1 LEU 48 3HD1 LEU 48 -6.738 11.576 -5.040 1209 1HD2 LEU 48 1HD2 LEU 48 -4.972 13.840 -7.324 1210 2HD2 LEU 48 2HD2 LEU 48 -5.642 12.365 -8.021 1211 3HD2 LEU 48 3HD2 LEU 48 -4.857 12.317 -6.443 1212 H GLU 49 H GLU 49 -10.402 14.340 -9.277 1213 HA GLU 49 HA GLU 49 -10.895 17.070 -8.466 1214 1HB GLU 49 2HB GLU 49 -10.431 16.470 -10.859 1215 2HB GLU 49 1HB GLU 49 -12.026 15.718 -10.910 1216 1HG GLU 49 2HG GLU 49 -12.871 17.989 -10.032 1217 2HG GLU 49 1HG GLU 49 -11.322 18.609 -10.580 1218 H HIS 50 H HIS 50 -12.666 14.074 -8.748 1219 HA HIS 50 HA HIS 50 -15.185 15.337 -8.081 1220 1HB HIS 50 2HB HIS 50 -14.304 12.489 -8.557 1221 2HB HIS 50 1HB HIS 50 -15.895 12.843 -7.901 1222 HD1 HIS 50 1HD HIS 50 -17.574 14.082 -9.489 1223 HD2 HIS 50 2HD HIS 50 -13.986 12.966 -11.264 1224 HE1 HIS 50 1HE HIS 50 -17.955 14.296 -11.966 1225 HE2 HIS 50 2HE HIS 50 -15.796 13.538 -13.022 1226 H CYS 51 H CYS 51 -12.488 14.573 -6.291 1227 HA CYS 51 HA CYS 51 -13.967 13.751 -3.906 1228 1HB CYS 51 2HB CYS 51 -11.756 12.622 -4.527 1229 2HB CYS 51 1HB CYS 51 -10.965 14.161 -4.199 1230 HG CYS 51 HG CYS 51 -11.965 12.183 -2.109 1231 H ILE 52 H ILE 52 -11.719 16.164 -5.104 1232 HA ILE 52 HA ILE 52 -11.802 17.973 -2.965 1233 HB ILE 52 HB ILE 52 -10.118 18.219 -4.625 1234 1HG1 ILE 52 2HG1 ILE 52 -10.903 20.353 -3.658 1235 2HG1 ILE 52 1HG1 ILE 52 -10.127 20.506 -5.224 1236 1HG2 ILE 52 1HG2 ILE 52 -10.316 18.224 -6.854 1237 2HG2 ILE 52 2HG2 ILE 52 -11.834 19.110 -6.830 1238 3HG2 ILE 52 3HG2 ILE 52 -11.815 17.394 -6.474 1239 1HD1 ILE 52 1HD1 ILE 52 -11.837 21.892 -5.526 1240 2HD1 ILE 52 2HD1 ILE 52 -12.894 21.023 -4.411 1241 3HD1 ILE 52 3HD1 ILE 52 -12.607 20.389 -6.033 1242 H LYS 53 H LYS 53 -13.684 17.817 -5.953 1243 HA LYS 53 HA LYS 53 -15.274 20.072 -5.480 1244 1HB LYS 53 2HB LYS 53 -15.846 17.671 -7.205 1245 2HB LYS 53 1HB LYS 53 -16.638 19.235 -7.325 1246 1HG LYS 53 2HG LYS 53 -13.680 19.161 -7.504 1247 2HG LYS 53 1HG LYS 53 -14.607 18.564 -8.876 1248 1HD LYS 53 2HD LYS 53 -14.688 20.672 -9.539 1249 2HD LYS 53 1HD LYS 53 -15.851 20.914 -8.250 1250 1HE LYS 53 2HE LYS 53 -14.180 22.621 -8.125 1251 2HE LYS 53 1HE LYS 53 -13.993 21.534 -6.754 1252 1HZ LYS 53 1HZ LYS 53 -12.299 20.363 -8.291 1253 2HZ LYS 53 2HZ LYS 53 -11.840 21.791 -7.512 1254 3HZ LYS 53 3HZ LYS 53 -12.291 21.825 -9.140 1255 H ARG 54 H ARG 54 -15.707 16.704 -4.525 1256 HA ARG 54 HA ARG 54 -18.449 16.986 -3.797 1257 1HB ARG 54 2HB ARG 54 -17.386 14.791 -4.253 1258 2HB ARG 54 1HB ARG 54 -16.425 14.976 -2.791 1259 1HG ARG 54 2HG ARG 54 -18.079 13.787 -1.849 1260 2HG ARG 54 1HG ARG 54 -18.910 15.340 -1.796 1261 1HD ARG 54 2HD ARG 54 -20.527 14.434 -3.010 1262 2HD ARG 54 1HD ARG 54 -19.396 14.329 -4.353 1263 HE ARG 54 HE ARG 54 -18.954 12.108 -2.757 1264 1HH1 ARG 54 1HH1 ARG 54 -21.577 13.413 -4.670 1265 2HH1 ARG 54 2HH1 ARG 54 -22.253 11.860 -5.020 1266 1HH2 ARG 54 1HH2 ARG 54 -19.848 10.071 -3.224 1267 2HH2 ARG 54 2HH2 ARG 54 -21.275 9.965 -4.201 1268 H LEU 55 H LEU 55 -15.400 17.097 -2.016 1269 HA LEU 55 HA LEU 55 -16.391 17.417 0.562 1270 1HB LEU 55 2HB LEU 55 -13.900 18.619 -0.644 1271 2HB LEU 55 1HB LEU 55 -14.218 18.434 1.073 1272 HG LEU 55 HG LEU 55 -14.294 16.011 -0.659 1273 1HD1 LEU 55 1HD1 LEU 55 -12.093 17.636 -0.781 1274 2HD1 LEU 55 2HD1 LEU 55 -12.102 15.895 -1.059 1275 3HD1 LEU 55 3HD1 LEU 55 -11.682 16.531 0.531 1276 1HD2 LEU 55 1HD2 LEU 55 -14.001 14.883 1.287 1277 2HD2 LEU 55 2HD2 LEU 55 -14.828 16.317 1.892 1278 3HD2 LEU 55 3HD2 LEU 55 -13.075 16.183 2.035 1279 H THR 56 H THR 56 -16.147 19.702 -2.048 1280 HA THR 56 HA THR 56 -16.542 22.036 -0.439 1281 HB THR 56 HB THR 56 -16.416 23.260 -2.392 1282 HG1 THR 56 1HG THR 56 -17.526 22.825 -4.151 1283 1HG2 THR 56 1HG2 THR 56 -14.756 22.453 -3.766 1284 2HG2 THR 56 2HG2 THR 56 -15.383 20.812 -3.718 1285 3HG2 THR 56 3HG2 THR 56 -14.532 21.462 -2.322 1286 H ALA 57 H ALA 57 -18.579 19.851 -2.284 1287 HA ALA 57 HA ALA 57 -20.996 21.300 -2.045 1288 1HB ALA 57 1HB ALA 57 -21.938 19.561 -3.150 1289 2HB ALA 57 2HB ALA 57 -21.160 18.352 -2.127 1290 3HB ALA 57 3HB ALA 57 -20.256 19.110 -3.438 1291 H LEU 58 H LEU 58 -19.352 18.946 -0.027 1292 HA LEU 58 HA LEU 58 -21.519 18.750 1.863 1293 1HB LEU 58 2HB LEU 58 -18.922 17.473 1.399 1294 2HB LEU 58 1HB LEU 58 -19.306 17.687 3.092 1295 HG LEU 58 HG LEU 58 -21.442 16.519 1.411 1296 1HD1 LEU 58 1HD1 LEU 58 -20.481 14.311 1.416 1297 2HD1 LEU 58 2HD1 LEU 58 -19.026 14.909 2.214 1298 3HD1 LEU 58 3HD1 LEU 58 -19.399 15.415 0.567 1299 1HD2 LEU 58 1HD2 LEU 58 -20.332 15.964 4.156 1300 2HD2 LEU 58 2HD2 LEU 58 -21.688 15.101 3.431 1301 3HD2 LEU 58 3HD2 LEU 58 -21.817 16.828 3.763 1302 H ASN 59 H ASN 59 -18.632 20.646 1.444 1303 HA ASN 59 HA ASN 59 -17.563 22.200 2.720 1304 1HB ASN 59 2HB ASN 59 -19.028 23.944 3.618 1305 2HB ASN 59 1HB ASN 59 -19.554 23.430 2.021 1306 1HD2 ASN 59 1HD2 ASN 59 -21.421 22.132 1.841 1307 2HD2 ASN 59 2HD2 ASN 59 -22.617 22.118 3.088 1308 H LYS 60 H LYS 60 -16.660 20.488 4.095 1309 HA LYS 60 HA LYS 60 -16.792 21.169 6.804 1310 1HB LYS 60 2HB LYS 60 -18.649 19.061 5.929 1311 2HB LYS 60 1HB LYS 60 -17.657 18.628 7.314 1312 1HG LYS 60 2HG LYS 60 -18.481 21.099 8.043 1313 2HG LYS 60 1HG LYS 60 -19.864 20.551 7.094 1314 1HD LYS 60 2HD LYS 60 -20.504 19.627 9.051 1315 2HD LYS 60 1HD LYS 60 -19.389 18.345 8.573 1316 1HE LYS 60 2HE LYS 60 -17.683 19.163 9.968 1317 2HE LYS 60 1HE LYS 60 -18.490 20.717 10.181 1318 1HZ LYS 60 1HZ LYS 60 -18.622 19.108 12.099 1319 2HZ LYS 60 2HZ LYS 60 -19.666 18.178 11.149 1320 3HZ LYS 60 3HZ LYS 60 -20.095 19.757 11.576 1321 HA PRO 61 HA PRO 61 -15.286 21.571 7.912 1322 1HB PRO 61 2HB PRO 61 -12.681 22.254 8.167 1323 2HB PRO 61 1HB PRO 61 -13.485 21.082 9.208 1324 1HG PRO 61 2HG PRO 61 -11.531 20.643 7.043 1325 2HG PRO 61 1HG PRO 61 -11.903 19.638 8.448 1326 1HD PRO 61 2HD PRO 61 -12.769 19.239 5.786 1327 2HD PRO 61 1HD PRO 61 -13.298 18.355 7.227 1328 H PHE 62 H PHE 62 -12.323 22.126 6.030 1329 HA PHE 62 HA PHE 62 -13.781 23.870 4.204 1330 1HB PHE 62 2HB PHE 62 -12.011 24.779 6.357 1331 2HB PHE 62 1HB PHE 62 -11.583 25.428 4.777 1332 HD1 PHE 62 1HD PHE 62 -13.234 26.248 7.604 1333 HD2 PHE 62 2HD PHE 62 -13.945 26.021 3.415 1334 HE1 PHE 62 1HE PHE 62 -15.018 27.930 7.820 1335 HE2 PHE 62 2HE PHE 62 -15.729 27.702 3.622 1336 HZ PHE 62 HZ PHE 62 -16.268 28.659 5.826 1337 H LYS 63 H LYS 63 -10.314 23.640 4.931 1338 HA LYS 63 HA LYS 63 -9.728 23.182 2.146 1339 1HB LYS 63 2HB LYS 63 -8.042 23.524 4.613 1340 2HB LYS 63 1HB LYS 63 -7.330 23.042 3.080 1341 1HG LYS 63 2HG LYS 63 -7.699 25.080 2.106 1342 2HG LYS 63 1HG LYS 63 -9.074 25.451 3.147 1343 1HD LYS 63 2HD LYS 63 -7.095 25.327 4.980 1344 2HD LYS 63 1HD LYS 63 -6.190 25.896 3.577 1345 1HE LYS 63 2HE LYS 63 -8.777 27.183 4.375 1346 2HE LYS 63 1HE LYS 63 -7.262 27.635 5.154 1347 1HZ LYS 63 1HZ LYS 63 -6.361 28.256 3.024 1348 2HZ LYS 63 2HZ LYS 63 -7.821 29.073 3.269 1349 3HZ LYS 63 3HZ LYS 63 -7.763 27.741 2.228 1350 H TYR 64 H TYR 64 -9.826 21.239 1.248 1351 HA TYR 64 HA TYR 64 -9.126 18.899 2.908 1352 1HB TYR 64 2HB TYR 64 -10.706 18.417 0.453 1353 2HB TYR 64 1HB TYR 64 -10.847 17.685 2.044 1354 HD1 TYR 64 1HD TYR 64 -12.216 18.773 3.790 1355 HD2 TYR 64 2HD TYR 64 -12.013 20.327 -0.164 1356 HE1 TYR 64 1HE TYR 64 -14.222 20.128 4.225 1357 HE2 TYR 64 2HE TYR 64 -14.017 21.686 0.258 1358 HH TYR 64 HH TYR 64 -15.902 21.786 1.713 1359 H VAL 65 H VAL 65 -7.690 17.421 2.132 1360 HA VAL 65 HA VAL 65 -6.378 18.098 -0.409 1361 HB VAL 65 HB VAL 65 -5.286 17.592 2.184 1362 1HG1 VAL 65 1HG1 VAL 65 -4.351 15.621 0.088 1363 2HG1 VAL 65 2HG1 VAL 65 -5.008 15.246 1.680 1364 3HG1 VAL 65 3HG1 VAL 65 -3.432 16.024 1.538 1365 1HG2 VAL 65 1HG2 VAL 65 -4.517 19.342 0.811 1366 2HG2 VAL 65 2HG2 VAL 65 -4.037 18.208 -0.453 1367 3HG2 VAL 65 3HG2 VAL 65 -3.180 18.227 1.090 1368 H VAL 66 H VAL 66 -6.195 16.543 -1.978 1369 HA VAL 66 HA VAL 66 -7.016 13.821 -1.265 1370 HB VAL 66 HB VAL 66 -7.934 15.020 -3.861 1371 1HG1 VAL 66 1HG1 VAL 66 -9.059 12.729 -2.274 1372 2HG1 VAL 66 2HG1 VAL 66 -7.755 12.529 -3.440 1373 3HG1 VAL 66 3HG1 VAL 66 -9.329 13.116 -3.972 1374 1HG2 VAL 66 1HG2 VAL 66 -8.902 16.354 -2.015 1375 2HG2 VAL 66 2HG2 VAL 66 -9.546 14.872 -1.311 1376 3HG2 VAL 66 3HG2 VAL 66 -10.118 15.419 -2.886 1377 H THR 67 H THR 67 -5.329 12.559 -1.688 1378 HA THR 67 HA THR 67 -4.008 12.887 -4.280 1379 HB THR 67 HB THR 67 -2.440 13.946 -2.860 1380 HG1 THR 67 1HG THR 67 -0.862 12.801 -3.598 1381 1HG2 THR 67 1HG2 THR 67 -2.029 11.698 -1.021 1382 2HG2 THR 67 2HG2 THR 67 -3.498 12.643 -0.780 1383 3HG2 THR 67 3HG2 THR 67 -1.923 13.437 -0.745 1384 H CYS 68 H CYS 68 -3.355 11.059 -5.273 1385 HA CYS 68 HA CYS 68 -3.917 8.529 -3.886 1386 1HB CYS 68 2HB CYS 68 -4.821 9.418 -6.617 1387 2HB CYS 68 1HB CYS 68 -4.805 7.729 -6.129 1388 HG CYS 68 HG CYS 68 -7.172 8.827 -5.725 1389 H ILE 69 H ILE 69 -2.847 6.691 -4.705 1390 HA ILE 69 HA ILE 69 -0.611 7.180 -6.528 1391 HB ILE 69 HB ILE 69 -0.372 5.946 -3.783 1392 1HG1 ILE 69 2HG1 ILE 69 1.515 7.723 -3.712 1393 2HG1 ILE 69 1HG1 ILE 69 0.655 8.447 -5.068 1394 1HG2 ILE 69 1HG2 ILE 69 1.433 5.767 -6.141 1395 2HG2 ILE 69 2HG2 ILE 69 1.025 4.542 -4.940 1396 3HG2 ILE 69 3HG2 ILE 69 2.130 5.852 -4.523 1397 1HD1 ILE 69 1HD1 ILE 69 -0.605 9.503 -3.590 1398 2HD1 ILE 69 2HD1 ILE 69 0.084 8.575 -2.258 1399 3HD1 ILE 69 3HD1 ILE 69 -1.300 7.944 -3.151 1400 H ILE 70 H ILE 70 -0.675 5.722 -8.093 1401 HA ILE 70 HA ILE 70 -2.400 3.437 -7.916 1402 HB ILE 70 HB ILE 70 -1.743 2.976 -10.225 1403 1HG1 ILE 70 2HG1 ILE 70 -0.281 4.994 -11.203 1404 2HG1 ILE 70 1HG1 ILE 70 0.394 4.943 -9.578 1405 1HG2 ILE 70 1HG2 ILE 70 -2.371 5.308 -11.154 1406 2HG2 ILE 70 2HG2 ILE 70 -2.555 5.748 -9.457 1407 3HG2 ILE 70 3HG2 ILE 70 -3.527 4.445 -10.140 1408 1HD1 ILE 70 1HD1 ILE 70 0.168 2.336 -10.891 1409 2HD1 ILE 70 2HD1 ILE 70 1.498 3.037 -9.968 1410 3HD1 ILE 70 3HD1 ILE 70 1.277 3.469 -11.664 1411 H MET 71 H MET 71 -1.892 1.312 -7.811 1412 HA MET 71 HA MET 71 0.949 0.623 -7.455 1413 1HB MET 71 2HB MET 71 -0.871 0.567 -5.446 1414 2HB MET 71 1HB MET 71 -1.056 -1.061 -6.084 1415 1HG MET 71 2HG MET 71 1.605 0.107 -5.331 1416 2HG MET 71 1HG MET 71 0.586 -0.782 -4.200 1417 1HE MET 71 1HE MET 71 1.958 -2.479 -3.526 1418 2HE MET 71 2HE MET 71 3.447 -2.262 -4.444 1419 3HE MET 71 3HE MET 71 2.615 -3.817 -4.470 1420 H GLN 72 H GLN 72 1.208 -0.083 -9.555 1421 HA GLN 72 HA GLN 72 -0.586 -1.861 -10.850 1422 1HB GLN 72 2HB GLN 72 0.924 -0.391 -12.100 1423 2HB GLN 72 1HB GLN 72 2.313 -1.243 -11.440 1424 1HG GLN 72 2HG GLN 72 1.008 -3.308 -12.539 1425 2HG GLN 72 1HG GLN 72 0.463 -2.010 -13.602 1426 1HE2 GLN 72 1HE2 GLN 72 2.225 -0.589 -14.450 1427 2HE2 GLN 72 2HE2 GLN 72 3.700 -1.356 -14.923 1428 H LYS 73 H LYS 73 -0.888 -3.938 -10.396 1429 HA LYS 73 HA LYS 73 -0.533 -6.083 -9.719 1430 1HB LYS 73 2HB LYS 73 1.539 -5.475 -11.398 1431 2HB LYS 73 1HB LYS 73 2.404 -5.976 -9.951 1432 1HG LYS 73 2HG LYS 73 0.917 -8.049 -9.988 1433 2HG LYS 73 1HG LYS 73 0.501 -7.565 -11.634 1434 1HD LYS 73 2HD LYS 73 3.379 -7.588 -11.001 1435 2HD LYS 73 1HD LYS 73 2.587 -9.166 -11.008 1436 1HE LYS 73 2HE LYS 73 1.640 -8.540 -13.265 1437 2HE LYS 73 1HE LYS 73 2.732 -7.156 -13.244 1438 1HZ LYS 73 1HZ LYS 73 4.458 -9.067 -12.712 1439 2HZ LYS 73 2HZ LYS 73 4.049 -8.645 -14.298 1440 3HZ LYS 73 3HZ LYS 73 3.332 -9.993 -13.570 1441 H ASN 74 H ASN 74 1.785 -7.157 -8.316 1442 HA ASN 74 HA ASN 74 1.753 -5.553 -5.858 1443 1HB ASN 74 2HB ASN 74 1.918 -8.006 -4.775 1444 2HB ASN 74 1HB ASN 74 0.385 -7.186 -5.036 1445 1HD2 ASN 74 1HD2 ASN 74 -0.820 -9.024 -5.233 1446 2HD2 ASN 74 2HD2 ASN 74 -0.681 -10.116 -6.565 1447 H GLY 75 H GLY 75 3.239 -8.684 -6.582 1448 1HA GLY 75 2HA GLY 75 5.416 -9.382 -6.192 1449 2HA GLY 75 1HA GLY 75 5.703 -8.205 -7.456 1450 H ALA 76 H ALA 76 6.488 -6.155 -6.914 1451 HA ALA 76 HA ALA 76 8.288 -6.141 -4.696 1452 1HB ALA 76 1HB ALA 76 9.150 -5.013 -6.509 1453 2HB ALA 76 2HB ALA 76 8.579 -3.680 -5.508 1454 3HB ALA 76 3HB ALA 76 7.619 -4.224 -6.885 1455 H GLY 77 H GLY 77 8.217 -5.009 -2.800 1456 1HA GLY 77 2HA GLY 77 5.594 -4.218 -1.880 1457 2HA GLY 77 1HA GLY 77 7.066 -4.273 -0.921 1458 H LEU 78 H LEU 78 5.174 -2.193 -0.782 1459 HA LEU 78 HA LEU 78 6.839 0.045 -1.697 1460 1HB LEU 78 2HB LEU 78 4.791 -0.342 -3.154 1461 2HB LEU 78 1HB LEU 78 3.830 0.126 -1.765 1462 HG LEU 78 HG LEU 78 5.969 1.992 -2.663 1463 1HD1 LEU 78 1HD1 LEU 78 5.062 1.581 -4.780 1464 2HD1 LEU 78 2HD1 LEU 78 4.211 3.014 -4.204 1465 3HD1 LEU 78 3HD1 LEU 78 3.422 1.439 -4.147 1466 1HD2 LEU 78 1HD2 LEU 78 3.163 2.393 -1.633 1467 2HD2 LEU 78 2HD2 LEU 78 4.364 3.654 -1.911 1468 3HD2 LEU 78 3HD2 LEU 78 4.631 2.443 -0.657 1469 H HIS 79 H HIS 79 7.186 1.589 -0.209 1470 HA HIS 79 HA HIS 79 5.452 1.712 2.151 1471 1HB HIS 79 2HB HIS 79 8.460 1.739 2.394 1472 2HB HIS 79 1HB HIS 79 7.273 1.653 3.691 1473 HD1 HIS 79 1HD HIS 79 5.608 -0.662 3.203 1474 HD2 HIS 79 2HD HIS 79 9.608 -0.674 2.079 1475 HE1 HIS 79 1HE HIS 79 6.247 -3.087 3.019 1476 HE2 HIS 79 2HE HIS 79 8.655 -3.070 2.278 1477 H THR 80 H THR 80 5.346 3.731 3.147 1478 HA THR 80 HA THR 80 6.684 5.920 1.691 1479 HB THR 80 HB THR 80 3.935 5.987 2.949 1480 HG1 THR 80 1HG THR 80 4.134 4.714 0.994 1481 1HG2 THR 80 1HG2 THR 80 5.626 8.046 1.687 1482 2HG2 THR 80 2HG2 THR 80 4.377 8.195 2.923 1483 3HG2 THR 80 3HG2 THR 80 3.924 8.022 1.228 1484 H ALA 81 H ALA 81 7.209 7.807 2.889 1485 HA ALA 81 HA ALA 81 7.159 7.532 5.815 1486 1HB ALA 81 1HB ALA 81 9.645 8.588 4.560 1487 2HB ALA 81 2HB ALA 81 9.397 6.842 4.602 1488 3HB ALA 81 3HB ALA 81 9.421 7.766 6.104 1489 H ALA 82 H ALA 82 7.117 9.514 6.947 1490 HA ALA 82 HA ALA 82 7.338 11.987 5.490 1491 1HB ALA 82 1HB ALA 82 4.647 11.194 6.552 1492 2HB ALA 82 2HB ALA 82 5.108 11.241 4.850 1493 3HB ALA 82 3HB ALA 82 5.069 12.731 5.795 1494 H SER 83 H SER 83 7.595 13.751 6.710 1495 HA SER 83 HA SER 83 7.172 13.629 9.592 1496 1HB SER 83 2HB SER 83 9.549 12.879 9.011 1497 2HB SER 83 1HB SER 83 9.829 14.533 8.472 1498 HG SER 83 HG SER 83 9.991 15.126 10.477 1499 H CYS 84 H CYS 84 6.045 15.412 10.066 1500 HA CYS 84 HA CYS 84 6.490 17.812 8.425 1501 1HB CYS 84 2HB CYS 84 4.030 17.222 10.026 1502 2HB CYS 84 1HB CYS 84 4.231 18.435 8.773 1503 HG CYS 84 HG CYS 84 3.054 16.633 7.507 1504 H TRP 85 H TRP 85 6.349 19.869 9.421 1505 HA TRP 85 HA TRP 85 7.697 19.988 11.937 1506 1HB TRP 85 2HB TRP 85 7.585 21.610 9.748 1507 2HB TRP 85 1HB TRP 85 6.527 22.474 10.857 1508 HD1 TRP 85 HD TRP 85 9.746 20.584 11.805 1509 HE1 TRP 85 1HE TRP 85 11.369 22.256 12.869 1510 HE3 TRP 85 3HE TRP 85 7.048 24.873 11.143 1511 HZ2 TRP 85 2HZ TRP 85 11.504 25.033 13.374 1512 HZ3 TRP 85 3HZ TRP 85 7.996 26.997 11.947 1513 HH2 TRP 85 HH TRP 85 10.177 27.073 13.040 1514 H TRP 86 H TRP 86 4.713 21.679 10.931 1515 HA TRP 86 HA TRP 86 3.555 21.031 13.558 1516 1HB TRP 86 2HB TRP 86 3.353 23.715 12.175 1517 2HB TRP 86 1HB TRP 86 2.628 23.283 13.721 1518 HD1 TRP 86 HD TRP 86 5.495 25.065 12.427 1519 HE1 TRP 86 1HE TRP 86 7.369 25.258 14.180 1520 HE3 TRP 86 3HE TRP 86 3.856 21.552 15.761 1521 HZ2 TRP 86 2HZ TRP 86 8.061 24.080 16.652 1522 HZ3 TRP 86 3HZ TRP 86 5.181 21.146 17.794 1523 HH2 TRP 86 HH TRP 86 7.241 22.385 18.228 1524 H ASP 87 H ASP 87 1.177 21.250 13.622 1525 HA ASP 87 HA ASP 87 -0.411 21.540 11.328 1526 1HB ASP 87 2HB ASP 87 0.989 19.213 11.141 1527 2HB ASP 87 1HB ASP 87 -0.463 18.652 11.962 1528 H SER 88 H SER 88 -0.988 22.657 13.546 1529 HA SER 88 HA SER 88 -2.514 20.988 15.341 1530 1HB SER 88 2HB SER 88 -1.126 23.207 15.810 1531 2HB SER 88 1HB SER 88 -2.685 23.960 15.472 1532 HG SER 88 HG SER 88 -2.136 21.978 17.428 1533 H THR 89 H THR 89 -3.200 23.209 12.700 1534 HA THR 89 HA THR 89 -6.079 22.839 13.187 1535 HB THR 89 HB THR 89 -5.312 25.170 13.141 1536 HG1 THR 89 1HG THR 89 -7.407 24.601 12.331 1537 1HG2 THR 89 1HG2 THR 89 -3.489 24.691 11.385 1538 2HG2 THR 89 2HG2 THR 89 -4.347 26.232 11.338 1539 3HG2 THR 89 3HG2 THR 89 -4.783 24.944 10.214 1540 H THR 90 H THR 90 -3.712 22.894 10.519 1541 HA THR 90 HA THR 90 -5.627 21.634 8.755 1542 HB THR 90 HB THR 90 -4.107 22.134 6.999 1543 HG1 THR 90 1HG THR 90 -2.149 21.514 7.573 1544 1HG2 THR 90 1HG2 THR 90 -3.406 24.408 8.783 1545 2HG2 THR 90 2HG2 THR 90 -5.080 24.159 8.287 1546 3HG2 THR 90 3HG2 THR 90 -3.827 24.405 7.071 1547 H ASP 91 H ASP 91 -5.480 19.795 10.496 1548 HA ASP 91 HA ASP 91 -3.581 17.833 9.424 1549 1HB ASP 91 2HB ASP 91 -2.680 18.665 11.550 1550 2HB ASP 91 1HB ASP 91 -4.173 18.209 12.364 1551 H GLY 92 H GLY 92 -4.314 15.838 9.127 1552 1HA GLY 92 2HA GLY 92 -6.587 14.715 10.420 1553 2HA GLY 92 1HA GLY 92 -7.001 15.281 8.805 1554 H SER 93 H SER 93 -5.619 14.517 7.036 1555 HA SER 93 HA SER 93 -4.827 12.826 5.756 1556 1HB SER 93 2HB SER 93 -2.828 11.814 6.483 1557 2HB SER 93 1HB SER 93 -2.880 13.356 7.334 1558 HG SER 93 HG SER 93 -2.937 10.818 8.325 1559 H ARG 94 H ARG 94 -5.999 11.200 5.053 1560 HA ARG 94 HA ARG 94 -6.398 8.864 6.725 1561 1HB ARG 94 2HB ARG 94 -8.507 10.776 6.256 1562 2HB ARG 94 1HB ARG 94 -8.928 9.228 5.536 1563 1HG ARG 94 2HG ARG 94 -9.745 8.866 7.607 1564 2HG ARG 94 1HG ARG 94 -8.085 8.349 7.898 1565 1HD ARG 94 2HD ARG 94 -8.205 11.163 8.279 1566 2HD ARG 94 1HD ARG 94 -9.545 10.435 9.164 1567 HE ARG 94 HE ARG 94 -7.375 8.897 9.798 1568 1HH1 ARG 94 1HH1 ARG 94 -8.142 12.302 10.052 1569 2HH1 ARG 94 2HH1 ARG 94 -7.144 12.544 11.445 1570 1HH2 ARG 94 1HH2 ARG 94 -6.070 9.225 11.629 1571 2HH2 ARG 94 2HH2 ARG 94 -5.970 10.802 12.340 1572 H THR 95 H THR 95 -5.316 7.513 5.401 1573 HA THR 95 HA THR 95 -5.778 7.600 2.537 1574 HB THR 95 HB THR 95 -3.481 7.427 3.373 1575 HG1 THR 95 1HG THR 95 -3.447 6.552 1.449 1576 1HG2 THR 95 1HG2 THR 95 -4.581 5.253 4.910 1577 2HG2 THR 95 2HG2 THR 95 -3.051 6.112 5.089 1578 3HG2 THR 95 3HG2 THR 95 -3.176 4.756 3.967 1579 H VAL 96 H VAL 96 -6.437 5.848 1.283 1580 HA VAL 96 HA VAL 96 -7.704 3.609 2.709 1581 HB VAL 96 HB VAL 96 -9.066 4.715 0.289 1582 1HG1 VAL 96 1HG1 VAL 96 -9.970 2.686 0.922 1583 2HG1 VAL 96 2HG1 VAL 96 -11.050 3.849 1.691 1584 3HG1 VAL 96 3HG1 VAL 96 -9.808 3.035 2.643 1585 1HG2 VAL 96 1HG2 VAL 96 -9.098 5.946 3.001 1586 2HG2 VAL 96 2HG2 VAL 96 -10.597 5.890 2.073 1587 3HG2 VAL 96 3HG2 VAL 96 -9.182 6.710 1.414 1588 H ARG 97 H ARG 97 -7.716 1.641 1.582 1589 HA ARG 97 HA ARG 97 -6.084 1.637 -0.874 1590 1HB ARG 97 2HB ARG 97 -6.275 -0.519 1.233 1591 2HB ARG 97 1HB ARG 97 -5.279 -0.578 -0.215 1592 1HG ARG 97 2HG ARG 97 -4.851 1.764 1.508 1593 2HG ARG 97 1HG ARG 97 -4.399 0.209 2.210 1594 1HD ARG 97 2HD ARG 97 -3.336 -0.034 -0.262 1595 2HD ARG 97 1HD ARG 97 -3.197 1.707 -0.026 1596 HE ARG 97 HE ARG 97 -1.459 1.280 1.369 1597 1HH1 ARG 97 1HH1 ARG 97 -3.543 -1.531 1.398 1598 2HH1 ARG 97 2HH1 ARG 97 -2.520 -2.426 2.470 1599 1HH2 ARG 97 1HH2 ARG 97 -0.123 0.096 2.778 1600 2HH2 ARG 97 2HH2 ARG 97 -0.582 -1.504 3.253 1601 H TRP 98 H TRP 98 -7.279 1.243 -2.605 1602 HA TRP 98 HA TRP 98 -9.644 -0.490 -2.406 1603 1HB TRP 98 2HB TRP 98 -8.782 1.741 -4.136 1604 2HB TRP 98 1HB TRP 98 -9.515 0.416 -5.020 1605 HD1 TRP 98 HD TRP 98 -10.550 3.547 -4.104 1606 HE1 TRP 98 1HE TRP 98 -13.027 3.691 -3.445 1607 HE3 TRP 98 3HE TRP 98 -11.466 -1.398 -3.132 1608 HZ2 TRP 98 2HZ TRP 98 -15.069 2.012 -2.585 1609 HZ3 TRP 98 3HZ TRP 98 -13.727 -2.039 -2.393 1610 HH2 TRP 98 HH TRP 98 -15.492 -0.372 -2.128 1611 H GLU 99 H GLU 99 -9.798 -2.402 -3.533 1612 HA GLU 99 HA GLU 99 -7.692 -3.157 -5.386 1613 1HB GLU 99 2HB GLU 99 -8.327 -4.824 -2.953 1614 2HB GLU 99 1HB GLU 99 -7.218 -5.266 -4.241 1615 1HG GLU 99 2HG GLU 99 -5.918 -3.175 -3.639 1616 2HG GLU 99 1HG GLU 99 -6.917 -3.099 -2.187 1617 H ASN 100 H ASN 100 -8.218 -5.020 -6.665 1618 HA ASN 100 HA ASN 100 -11.072 -5.737 -6.606 1619 1HB ASN 100 2HB ASN 100 -10.773 -5.943 -9.181 1620 2HB ASN 100 1HB ASN 100 -11.009 -4.349 -8.476 1621 1HD2 ASN 100 1HD2 ASN 100 -8.916 -3.219 -7.883 1622 2HD2 ASN 100 2HD2 ASN 100 -7.636 -3.320 -9.039 1623 H LYS 101 H LYS 101 -7.986 -6.714 -8.106 1624 HA LYS 101 HA LYS 101 -8.318 -9.402 -7.098 1625 1HB LYS 101 2HB LYS 101 -8.022 -10.381 -9.423 1626 2HB LYS 101 1HB LYS 101 -9.607 -9.719 -9.049 1627 1HG LYS 101 2HG LYS 101 -9.327 -8.796 -11.093 1628 2HG LYS 101 1HG LYS 101 -8.526 -7.550 -10.138 1629 1HD LYS 101 2HD LYS 101 -6.807 -7.864 -11.548 1630 2HD LYS 101 1HD LYS 101 -6.484 -9.301 -10.578 1631 1HE LYS 101 2HE LYS 101 -6.966 -10.650 -12.281 1632 2HE LYS 101 1HE LYS 101 -8.493 -9.828 -12.588 1633 1HZ LYS 101 1HZ LYS 101 -5.902 -8.718 -13.486 1634 2HZ LYS 101 2HZ LYS 101 -7.455 -8.303 -14.011 1635 3HZ LYS 101 3HZ LYS 101 -6.791 -9.800 -14.435 1636 H SER 102 H SER 102 -6.487 -7.281 -9.275 1637 HA SER 102 HA SER 102 -4.018 -8.392 -8.131 1638 1HB SER 102 2HB SER 102 -4.290 -9.408 -10.334 1639 2HB SER 102 1HB SER 102 -4.510 -7.818 -11.064 1640 HG SER 102 HG SER 102 -2.413 -8.100 -11.361 1641 H MET 103 H MET 103 -5.425 -5.754 -10.048 1642 HA MET 103 HA MET 103 -3.271 -3.951 -9.516 1643 1HB MET 103 2HB MET 103 -5.241 -4.018 -11.376 1644 2HB MET 103 1HB MET 103 -5.909 -2.835 -10.260 1645 1HG MET 103 2HG MET 103 -4.701 -1.650 -11.912 1646 2HG MET 103 1HG MET 103 -3.754 -1.585 -10.426 1647 1HE MET 103 1HE MET 103 -3.229 -1.491 -13.920 1648 2HE MET 103 2HE MET 103 -1.511 -1.884 -13.877 1649 3HE MET 103 3HE MET 103 -2.171 -0.694 -12.757 1650 H TYR 104 H TYR 104 -3.047 -2.453 -7.925 1651 HA TYR 104 HA TYR 104 -5.290 -2.153 -6.034 1652 1HB TYR 104 2HB TYR 104 -2.369 -2.294 -5.262 1653 2HB TYR 104 1HB TYR 104 -3.742 -2.157 -4.170 1654 HD1 TYR 104 1HD TYR 104 -1.392 -4.332 -4.672 1655 HD2 TYR 104 2HD TYR 104 -5.588 -4.156 -5.352 1656 HE1 TYR 104 1HE TYR 104 -1.513 -6.784 -4.528 1657 HE2 TYR 104 2HE TYR 104 -5.721 -6.607 -5.208 1658 HH TYR 104 HH TYR 104 -4.384 -8.466 -4.158 1659 H CYS 105 H CYS 105 -5.792 -0.118 -5.470 1660 HA CYS 105 HA CYS 105 -3.898 2.022 -6.180 1661 1HB CYS 105 2HB CYS 105 -5.871 3.411 -6.839 1662 2HB CYS 105 1HB CYS 105 -5.590 2.029 -7.892 1663 HG CYS 105 HG CYS 105 -7.656 0.871 -6.886 1664 H ILE 106 H ILE 106 -3.612 3.588 -4.691 1665 HA ILE 106 HA ILE 106 -5.248 3.409 -2.247 1666 HB ILE 106 HB ILE 106 -2.983 2.866 -1.745 1667 1HG1 ILE 106 2HG1 ILE 106 -2.809 5.694 -0.890 1668 2HG1 ILE 106 1HG1 ILE 106 -4.278 4.842 -0.427 1669 1HG2 ILE 106 1HG2 ILE 106 -2.365 5.138 -3.540 1670 2HG2 ILE 106 2HG2 ILE 106 -1.622 3.544 -3.427 1671 3HG2 ILE 106 3HG2 ILE 106 -1.240 4.781 -2.231 1672 1HD1 ILE 106 1HD1 ILE 106 -2.004 4.860 1.016 1673 2HD1 ILE 106 2HD1 ILE 106 -1.781 3.387 0.073 1674 3HD1 ILE 106 3HD1 ILE 106 -3.213 3.577 1.085 1675 H CYS 107 H CYS 107 -6.171 5.213 -1.382 1676 HA CYS 107 HA CYS 107 -5.735 7.795 -2.705 1677 1HB CYS 107 2HB CYS 107 -8.188 8.183 -2.755 1678 2HB CYS 107 1HB CYS 107 -7.688 6.861 -3.801 1679 HG CYS 107 HG CYS 107 -9.161 5.358 -2.564 1680 H THR 108 H THR 108 -5.295 9.296 -1.191 1681 HA THR 108 HA THR 108 -6.422 8.883 1.492 1682 HB THR 108 HB THR 108 -3.922 8.628 1.269 1683 HG1 THR 108 1HG THR 108 -3.556 9.741 3.164 1684 1HG2 THR 108 1HG2 THR 108 -2.520 10.529 1.062 1685 2HG2 THR 108 2HG2 THR 108 -3.903 11.623 1.008 1686 3HG2 THR 108 3HG2 THR 108 -3.597 10.522 -0.335 1687 H VAL 109 H VAL 109 -7.173 10.588 2.658 1688 HA VAL 109 HA VAL 109 -7.464 13.125 1.215 1689 HB VAL 109 HB VAL 109 -9.660 12.565 3.089 1690 1HG1 VAL 109 1HG1 VAL 109 -10.923 13.335 0.958 1691 2HG1 VAL 109 2HG1 VAL 109 -9.312 13.755 0.374 1692 3HG1 VAL 109 3HG1 VAL 109 -9.932 14.488 1.854 1693 1HG2 VAL 109 1HG2 VAL 109 -9.409 10.908 0.589 1694 2HG2 VAL 109 2HG2 VAL 109 -10.916 11.156 1.472 1695 3HG2 VAL 109 3HG2 VAL 109 -9.563 10.334 2.250 1696 H PHE 110 H PHE 110 -6.836 14.870 2.363 1697 HA PHE 110 HA PHE 110 -6.464 14.483 5.246 1698 1HB PHE 110 2HB PHE 110 -4.915 16.256 3.399 1699 2HB PHE 110 1HB PHE 110 -4.814 16.357 5.130 1700 HD1 PHE 110 1HD PHE 110 -4.863 13.363 2.867 1701 HD2 PHE 110 2HD PHE 110 -2.732 15.685 5.729 1702 HE1 PHE 110 1HE PHE 110 -3.079 11.678 2.918 1703 HE2 PHE 110 2HE PHE 110 -0.945 14.000 5.773 1704 HZ PHE 110 HZ PHE 110 -1.118 11.992 4.363 1705 H GLY 111 H GLY 111 -8.219 15.228 6.159 1706 1HA GLY 111 2HA GLY 111 -9.611 17.558 5.160 1707 2HA GLY 111 1HA GLY 111 -10.053 16.602 6.570 1708 H LEU 112 H LEU 112 -8.185 19.279 5.381 1709 HA LEU 112 HA LEU 112 -7.093 19.859 8.015 1710 1HB LEU 112 2HB LEU 112 -6.772 21.154 5.315 1711 2HB LEU 112 1HB LEU 112 -6.061 21.810 6.772 1712 HG LEU 112 HG LEU 112 -4.378 20.270 6.802 1713 1HD1 LEU 112 1HD1 LEU 112 -5.889 18.194 5.295 1714 2HD1 LEU 112 2HD1 LEU 112 -6.009 18.340 7.043 1715 3HD1 LEU 112 3HD1 LEU 112 -4.453 18.002 6.288 1716 1HD2 LEU 112 1HD2 LEU 112 -3.489 19.959 4.693 1717 2HD2 LEU 112 2HD2 LEU 112 -4.527 21.376 4.533 1718 3HD2 LEU 112 3HD2 LEU 112 -5.080 19.805 3.949 1719 H ALA 113 H ALA 113 -7.761 21.450 9.354 1720 HA ALA 113 HA ALA 113 -10.313 22.695 8.747 1721 1HB ALA 113 1HB ALA 113 -9.677 23.642 11.201 1722 2HB ALA 113 2HB ALA 113 -8.745 22.145 11.172 1723 3HB ALA 113 3HB ALA 113 -10.488 22.103 10.909 1724 H ILE 114 H ILE 114 -9.397 24.043 7.018 1725 HA ILE 114 HA ILE 114 -8.790 26.081 6.204 1726 HB ILE 114 HB ILE 114 -8.833 27.053 9.060 1727 1HG1 ILE 114 2HG1 ILE 114 -11.228 27.814 8.066 1728 2HG1 ILE 114 1HG1 ILE 114 -11.022 26.285 7.216 1729 1HG2 ILE 114 1HG2 ILE 114 -7.905 28.746 7.778 1730 2HG2 ILE 114 2HG2 ILE 114 -9.618 29.164 7.790 1731 3HG2 ILE 114 3HG2 ILE 114 -8.911 28.376 6.378 1732 1HD1 ILE 114 1HD1 ILE 114 -10.470 26.210 10.100 1733 2HD1 ILE 114 2HD1 ILE 114 -11.336 25.067 9.073 1734 3HD1 ILE 114 3HD1 ILE 114 -12.144 26.527 9.646 Start of MODEL 13 1 1H MET 1 1HT MET 1 26.683 6.325 -17.211 2 HA MET 1 HA MET 1 28.546 5.570 -18.070 3 1HB MET 1 2HB MET 1 29.099 6.029 -15.131 4 2HB MET 1 1HB MET 1 30.319 6.073 -16.397 5 1HG MET 1 2HG MET 1 29.371 8.005 -17.374 6 2HG MET 1 1HG MET 1 27.913 7.868 -16.392 7 1HE MET 1 1HE MET 1 30.071 10.204 -17.035 8 2HE MET 1 2HE MET 1 30.437 11.028 -15.519 9 3HE MET 1 3HE MET 1 28.760 10.785 -16.009 10 H GLU 2 H GLU 2 28.021 3.843 -15.004 11 HA GLU 2 HA GLU 2 29.096 1.425 -16.261 12 1HB GLU 2 2HB GLU 2 30.922 2.433 -14.947 13 2HB GLU 2 1HB GLU 2 29.900 2.405 -13.516 14 1HG GLU 2 2HG GLU 2 29.804 -0.195 -14.314 15 2HG GLU 2 1HG GLU 2 31.442 0.266 -14.774 16 H GLY 3 H GLY 3 27.862 2.460 -13.072 17 1HA GLY 3 2HA GLY 3 25.552 0.722 -13.391 18 2HA GLY 3 1HA GLY 3 26.682 0.258 -12.128 19 H VAL 4 H VAL 4 27.390 2.495 -10.902 20 HA VAL 4 HA VAL 4 24.862 3.449 -9.777 21 HB VAL 4 HB VAL 4 27.639 3.850 -8.664 22 1HG1 VAL 4 1HG1 VAL 4 25.562 5.274 -7.974 23 2HG1 VAL 4 2HG1 VAL 4 26.651 4.641 -6.741 24 3HG1 VAL 4 3HG1 VAL 4 25.120 3.829 -7.065 25 1HG2 VAL 4 1HG2 VAL 4 27.418 1.528 -8.663 26 2HG2 VAL 4 2HG2 VAL 4 25.691 1.597 -8.316 27 3HG2 VAL 4 3HG2 VAL 4 26.860 2.000 -7.058 28 H ASP 5 H ASP 5 24.099 5.338 -10.454 29 HA ASP 5 HA ASP 5 26.021 7.433 -11.231 30 1HB ASP 5 2HB ASP 5 24.360 6.300 -12.972 31 2HB ASP 5 1HB ASP 5 23.236 7.474 -12.292 32 HA PRO 6 HA PRO 6 23.893 9.182 -7.565 33 1HB PRO 6 2HB PRO 6 25.683 11.242 -7.266 34 2HB PRO 6 1HB PRO 6 25.891 9.639 -6.556 35 1HG PRO 6 2HG PRO 6 27.082 10.777 -9.052 36 2HG PRO 6 1HG PRO 6 27.839 9.761 -7.810 37 1HD PRO 6 2HD PRO 6 27.022 8.752 -10.162 38 2HD PRO 6 1HD PRO 6 26.912 7.816 -8.657 39 H ALA 7 H ALA 7 22.078 10.187 -8.184 40 HA ALA 7 HA ALA 7 20.667 11.799 -8.958 41 1HB ALA 7 1HB ALA 7 22.025 14.044 -9.595 42 2HB ALA 7 2HB ALA 7 23.180 13.270 -8.510 43 3HB ALA 7 3HB ALA 7 21.542 13.618 -7.955 44 H VAL 8 H VAL 8 19.984 10.918 -10.848 45 HA VAL 8 HA VAL 8 21.574 11.489 -13.263 46 HB VAL 8 HB VAL 8 19.246 9.740 -13.662 47 1HG1 VAL 8 1HG1 VAL 8 20.765 9.982 -15.414 48 2HG1 VAL 8 2HG1 VAL 8 21.025 8.357 -14.778 49 3HG1 VAL 8 3HG1 VAL 8 22.151 9.655 -14.375 50 1HG2 VAL 8 1HG2 VAL 8 20.767 7.775 -12.716 51 2HG2 VAL 8 2HG2 VAL 8 19.500 8.557 -11.776 52 3HG2 VAL 8 3HG2 VAL 8 21.184 9.032 -11.552 53 H GLU 9 H GLU 9 18.357 11.541 -11.872 54 HA GLU 9 HA GLU 9 17.563 13.505 -13.916 55 1HB GLU 9 2HB GLU 9 15.554 11.682 -12.665 56 2HB GLU 9 1HB GLU 9 15.534 12.459 -14.231 57 1HG GLU 9 2HG GLU 9 17.232 10.107 -13.469 58 2HG GLU 9 1HG GLU 9 15.764 10.057 -14.443 59 H GLU 10 H GLU 10 18.191 15.146 -12.410 60 HA GLU 10 HA GLU 10 17.075 15.371 -9.818 61 1HB GLU 10 2HB GLU 10 19.137 16.552 -10.722 62 2HB GLU 10 1HB GLU 10 18.038 17.657 -11.534 63 1HG GLU 10 2HG GLU 10 17.737 17.215 -8.607 64 2HG GLU 10 1HG GLU 10 19.050 18.234 -9.195 65 H ALA 11 H ALA 11 15.143 16.057 -9.164 66 HA ALA 11 HA ALA 11 13.356 17.273 -11.165 67 1HB ALA 11 1HB ALA 11 12.334 15.977 -8.678 68 2HB ALA 11 2HB ALA 11 12.848 14.980 -10.038 69 3HB ALA 11 3HB ALA 11 11.557 16.163 -10.250 70 H ALA 12 H ALA 12 11.715 18.773 -10.302 71 HA ALA 12 HA ALA 12 11.112 20.681 -9.228 72 1HB ALA 12 1HB ALA 12 10.815 19.512 -7.227 73 2HB ALA 12 2HB ALA 12 11.846 20.873 -6.787 74 3HB ALA 12 3HB ALA 12 12.548 19.271 -7.003 75 H PHE 13 H PHE 13 11.825 22.677 -9.532 76 HA PHE 13 HA PHE 13 14.721 23.178 -9.328 77 1HB PHE 13 2HB PHE 13 13.927 23.175 -11.661 78 2HB PHE 13 1HB PHE 13 12.766 24.437 -11.261 79 HD1 PHE 13 1HD PHE 13 13.462 26.715 -10.945 80 HD2 PHE 13 2HD PHE 13 16.305 23.662 -11.787 81 HE1 PHE 13 1HE PHE 13 15.150 28.432 -11.452 82 HE2 PHE 13 2HE PHE 13 17.997 25.373 -12.295 83 HZ PHE 13 HZ PHE 13 17.421 27.762 -12.127 84 H VAL 14 H VAL 14 11.686 24.018 -8.081 85 HA VAL 14 HA VAL 14 12.478 26.742 -7.403 86 HB VAL 14 HB VAL 14 9.912 25.332 -6.673 87 1HG1 VAL 14 1HG1 VAL 14 10.124 27.214 -5.307 88 2HG1 VAL 14 2HG1 VAL 14 9.125 27.771 -6.649 89 3HG1 VAL 14 3HG1 VAL 14 10.839 28.183 -6.595 90 1HG2 VAL 14 1HG2 VAL 14 10.239 25.364 -9.117 91 2HG2 VAL 14 2HG2 VAL 14 10.434 27.116 -9.049 92 3HG2 VAL 14 3HG2 VAL 14 8.893 26.382 -8.603 93 H ALA 15 H ALA 15 12.298 27.492 -5.176 94 HA ALA 15 HA ALA 15 12.843 27.413 -2.971 95 1HB ALA 15 1HB ALA 15 11.817 25.811 -1.638 96 2HB ALA 15 2HB ALA 15 11.979 24.547 -2.858 97 3HB ALA 15 3HB ALA 15 10.797 25.838 -3.077 98 H ASP 16 H ASP 16 15.047 27.384 -4.170 99 HA ASP 16 HA ASP 16 16.627 25.052 -4.164 100 1HB ASP 16 2HB ASP 16 17.534 27.932 -3.952 101 2HB ASP 16 1HB ASP 16 18.535 26.563 -4.428 102 H ASP 17 H ASP 17 15.978 27.485 -1.718 103 HA ASP 17 HA ASP 17 18.003 26.927 0.103 104 1HB ASP 17 2HB ASP 17 15.221 28.002 0.363 105 2HB ASP 17 1HB ASP 17 16.140 27.631 1.818 106 H VAL 18 H VAL 18 14.744 25.513 -0.078 107 HA VAL 18 HA VAL 18 15.344 23.583 1.983 108 HB VAL 18 HB VAL 18 12.960 23.597 0.132 109 1HG1 VAL 18 1HG1 VAL 18 11.978 22.575 2.327 110 2HG1 VAL 18 2HG1 VAL 18 13.666 22.202 2.672 111 3HG1 VAL 18 3HG1 VAL 18 12.903 21.568 1.214 112 1HG2 VAL 18 1HG2 VAL 18 11.883 24.714 2.220 113 2HG2 VAL 18 2HG2 VAL 18 12.784 25.703 1.071 114 3HG2 VAL 18 3HG2 VAL 18 13.538 25.205 2.585 115 H SER 19 H SER 19 15.280 23.705 -1.507 116 HA SER 19 HA SER 19 15.194 20.995 -2.117 117 1HB SER 19 2HB SER 19 15.008 22.815 -3.787 118 2HB SER 19 1HB SER 19 16.730 23.141 -3.594 119 HG SER 19 HG SER 19 15.591 20.695 -4.478 120 H ASN 20 H ASN 20 17.974 23.034 -1.289 121 HA ASN 20 HA ASN 20 19.905 21.005 -1.773 122 1HB ASN 20 2HB ASN 20 21.484 22.480 -0.649 123 2HB ASN 20 1HB ASN 20 20.476 23.402 -1.759 124 1HD2 ASN 20 1HD2 ASN 20 19.551 25.163 -1.011 125 2HD2 ASN 20 2HD2 ASN 20 19.350 25.572 0.655 126 H ILE 21 H ILE 21 18.211 22.099 1.136 127 HA ILE 21 HA ILE 21 19.601 20.638 3.057 128 HB ILE 21 HB ILE 21 16.652 21.334 2.994 129 1HG1 ILE 21 2HG1 ILE 21 19.010 22.764 4.233 130 2HG1 ILE 21 1HG1 ILE 21 18.120 23.282 2.806 131 1HG2 ILE 21 1HG2 ILE 21 18.347 20.626 5.389 132 2HG2 ILE 21 2HG2 ILE 21 17.165 19.557 4.634 133 3HG2 ILE 21 3HG2 ILE 21 16.638 21.057 5.393 134 1HD1 ILE 21 1HD1 ILE 21 17.371 23.415 5.668 135 2HD1 ILE 21 2HD1 ILE 21 16.087 23.180 4.482 136 3HD1 ILE 21 3HD1 ILE 21 17.138 24.592 4.375 137 H ILE 22 H ILE 22 16.613 19.679 1.340 138 HA ILE 22 HA ILE 22 16.441 17.133 2.478 139 HB ILE 22 HB ILE 22 14.577 18.199 1.286 140 1HG1 ILE 22 2HG1 ILE 22 14.233 16.002 -0.296 141 2HG1 ILE 22 1HG1 ILE 22 15.484 15.436 0.806 142 1HG2 ILE 22 1HG2 ILE 22 16.021 17.487 -1.258 143 2HG2 ILE 22 2HG2 ILE 22 15.921 19.113 -0.584 144 3HG2 ILE 22 3HG2 ILE 22 14.455 18.283 -1.105 145 1HD1 ILE 22 1HD1 ILE 22 14.109 15.512 2.622 146 2HD1 ILE 22 2HD1 ILE 22 12.940 15.139 1.354 147 3HD1 ILE 22 3HD1 ILE 22 13.101 16.792 1.945 148 H LYS 23 H LYS 23 17.901 18.107 -0.643 149 HA LYS 23 HA LYS 23 18.659 15.559 -1.418 150 1HB LYS 23 2HB LYS 23 18.964 18.194 -2.389 151 2HB LYS 23 1HB LYS 23 20.563 17.466 -2.379 152 1HG LYS 23 2HG LYS 23 19.509 15.495 -3.556 153 2HG LYS 23 1HG LYS 23 18.108 16.533 -3.807 154 1HD LYS 23 2HD LYS 23 20.011 18.197 -4.660 155 2HD LYS 23 1HD LYS 23 20.827 16.668 -4.992 156 1HE LYS 23 2HE LYS 23 18.372 16.154 -5.984 157 2HE LYS 23 1HE LYS 23 18.480 17.888 -6.271 158 1HZ LYS 23 1HZ LYS 23 20.732 16.163 -7.036 159 2HZ LYS 23 2HZ LYS 23 20.233 17.632 -7.706 160 3HZ LYS 23 3HZ LYS 23 19.365 16.218 -8.032 161 H GLU 24 H GLU 24 20.482 18.040 0.332 162 HA GLU 24 HA GLU 24 22.882 16.622 0.607 163 1HB GLU 24 2HB GLU 24 21.620 18.960 1.873 164 2HB GLU 24 1HB GLU 24 22.744 18.115 2.918 165 1HG GLU 24 2HG GLU 24 23.603 18.754 0.148 166 2HG GLU 24 1HG GLU 24 23.524 20.059 1.332 167 H SER 25 H SER 25 19.893 16.535 2.439 168 HA SER 25 HA SER 25 20.854 15.027 4.625 169 1HB SER 25 2HB SER 25 18.083 15.414 3.480 170 2HB SER 25 1HB SER 25 18.389 14.452 4.926 171 HG SER 25 HG SER 25 18.612 16.226 6.025 172 H ILE 26 H ILE 26 19.194 13.998 1.598 173 HA ILE 26 HA ILE 26 19.154 11.250 2.218 174 HB ILE 26 HB ILE 26 19.145 12.723 -0.402 175 1HG1 ILE 26 2HG1 ILE 26 16.913 11.398 -0.476 176 2HG1 ILE 26 1HG1 ILE 26 17.189 11.189 1.250 177 1HG2 ILE 26 1HG2 ILE 26 19.576 9.808 -0.015 178 2HG2 ILE 26 2HG2 ILE 26 20.145 10.872 -1.301 179 3HG2 ILE 26 3HG2 ILE 26 18.472 10.314 -1.294 180 1HD1 ILE 26 1HD1 ILE 26 15.734 13.106 0.631 181 2HD1 ILE 26 2HD1 ILE 26 17.148 13.858 -0.107 182 3HD1 ILE 26 3HD1 ILE 26 17.130 13.520 1.624 183 H ASP 27 H ASP 27 21.616 13.259 0.679 184 HA ASP 27 HA ASP 27 23.422 11.321 -0.106 185 1HB ASP 27 2HB ASP 27 23.733 13.678 -0.629 186 2HB ASP 27 1HB ASP 27 23.934 14.062 1.072 187 H ALA 28 H ALA 28 22.806 12.669 3.067 188 HA ALA 28 HA ALA 28 24.925 11.102 4.313 189 1HB ALA 28 1HB ALA 28 22.891 12.953 5.562 190 2HB ALA 28 2HB ALA 28 24.494 13.433 5.008 191 3HB ALA 28 3HB ALA 28 24.328 12.292 6.342 192 H VAL 29 H VAL 29 21.407 11.258 4.252 193 HA VAL 29 HA VAL 29 21.003 9.219 6.176 194 HB VAL 29 HB VAL 29 19.409 11.101 4.633 195 1HG1 VAL 29 1HG1 VAL 29 17.285 9.673 5.206 196 2HG1 VAL 29 2HG1 VAL 29 18.351 8.350 4.773 197 3HG1 VAL 29 3HG1 VAL 29 18.031 9.651 3.632 198 1HG2 VAL 29 1HG2 VAL 29 18.220 10.010 7.016 199 2HG2 VAL 29 2HG2 VAL 29 18.733 11.653 6.656 200 3HG2 VAL 29 3HG2 VAL 29 19.897 10.478 7.263 201 H LEU 30 H LEU 30 22.037 9.072 2.990 202 HA LEU 30 HA LEU 30 21.132 6.284 2.806 203 1HB LEU 30 2HB LEU 30 21.473 8.334 0.637 204 2HB LEU 30 1HB LEU 30 21.462 6.616 0.291 205 HG LEU 30 HG LEU 30 19.248 7.693 -0.062 206 1HD1 LEU 30 1HD1 LEU 30 18.013 5.959 0.822 207 2HD1 LEU 30 2HD1 LEU 30 19.000 5.872 2.279 208 3HD1 LEU 30 3HD1 LEU 30 19.637 5.275 0.748 209 1HD2 LEU 30 1HD2 LEU 30 19.691 9.147 2.111 210 2HD2 LEU 30 2HD2 LEU 30 18.814 7.822 2.859 211 3HD2 LEU 30 3HD2 LEU 30 18.071 8.750 1.558 212 H GLN 31 H GLN 31 23.840 8.547 2.443 213 HA GLN 31 HA GLN 31 25.611 6.354 1.682 214 1HB GLN 31 2HB GLN 31 25.732 8.730 0.715 215 2HB GLN 31 1HB GLN 31 26.480 9.162 2.240 216 1HG GLN 31 2HG GLN 31 28.275 7.670 1.885 217 2HG GLN 31 1HG GLN 31 27.499 7.023 0.450 218 1HE2 GLN 31 1HE2 GLN 31 29.744 9.187 1.583 219 2HE2 GLN 31 2HE2 GLN 31 29.916 10.169 0.174 220 H ASN 32 H ASN 32 24.544 7.842 4.573 221 HA ASN 32 HA ASN 32 26.663 7.972 6.266 222 1HB ASN 32 2HB ASN 32 25.055 7.006 8.045 223 2HB ASN 32 1HB ASN 32 24.600 8.496 7.229 224 1HD2 ASN 32 1HD2 ASN 32 22.506 7.622 8.191 225 2HD2 ASN 32 2HD2 ASN 32 21.542 6.639 7.149 226 H GLN 33 H GLN 33 25.083 4.995 5.202 227 HA GLN 33 HA GLN 33 27.433 3.499 6.077 228 1HB GLN 33 2HB GLN 33 25.244 3.517 7.684 229 2HB GLN 33 1HB GLN 33 24.865 2.151 6.644 230 1HG GLN 33 2HG GLN 33 26.072 0.947 8.069 231 2HG GLN 33 1HG GLN 33 27.478 1.679 7.298 232 1HE2 GLN 33 1HE2 GLN 33 28.781 2.931 8.477 233 2HE2 GLN 33 2HE2 GLN 33 28.480 3.424 10.104 234 H GLN 34 H GLN 34 26.450 0.936 5.528 235 HA GLN 34 HA GLN 34 26.519 0.984 2.648 236 1HB GLN 34 2HB GLN 34 27.496 -0.754 4.477 237 2HB GLN 34 1HB GLN 34 26.001 -1.572 4.047 238 1HG GLN 34 2HG GLN 34 27.204 -2.475 2.405 239 2HG GLN 34 1HG GLN 34 26.983 -0.924 1.599 240 1HE2 GLN 34 1HE2 GLN 34 28.762 -0.040 0.853 241 2HE2 GLN 34 2HE2 GLN 34 30.359 -0.276 1.469 242 H TYR 35 H TYR 35 24.991 -0.775 1.577 243 HA TYR 35 HA TYR 35 22.350 0.269 1.833 244 1HB TYR 35 2HB TYR 35 23.389 -0.489 -0.314 245 2HB TYR 35 1HB TYR 35 23.250 -2.145 0.262 246 HD1 TYR 35 1HD TYR 35 21.686 0.389 -1.608 247 HD2 TYR 35 2HD TYR 35 20.822 -2.868 0.990 248 HE1 TYR 35 1HE TYR 35 19.408 0.268 -2.527 249 HE2 TYR 35 2HE TYR 35 18.542 -2.998 0.077 250 HH TYR 35 HH TYR 35 17.348 -2.356 -1.997 251 H SER 36 H SER 36 21.047 -0.275 3.524 252 HA SER 36 HA SER 36 21.008 -3.142 4.278 253 1HB SER 36 2HB SER 36 21.041 -0.671 5.928 254 2HB SER 36 1HB SER 36 19.981 -1.969 6.477 255 HG SER 36 HG SER 36 22.065 -2.184 7.359 256 H GLU 37 H GLU 37 19.126 -4.146 3.817 257 HA GLU 37 HA GLU 37 16.940 -2.844 2.663 258 1HB GLU 37 2HB GLU 37 17.376 -5.273 2.446 259 2HB GLU 37 1HB GLU 37 16.884 -5.491 4.122 260 1HG GLU 37 2HG GLU 37 14.781 -5.682 3.479 261 2HG GLU 37 1HG GLU 37 14.829 -4.048 2.834 262 H ALA 38 H ALA 38 17.523 -3.779 6.020 263 HA ALA 38 HA ALA 38 14.996 -3.085 7.051 264 1HB ALA 38 1HB ALA 38 16.865 -4.344 8.218 265 2HB ALA 38 2HB ALA 38 16.002 -3.149 9.186 266 3HB ALA 38 3HB ALA 38 17.595 -2.771 8.531 267 H LYS 39 H LYS 39 17.707 -1.218 6.003 268 HA LYS 39 HA LYS 39 16.695 1.246 7.183 269 1HB LYS 39 2HB LYS 39 19.278 0.215 6.305 270 2HB LYS 39 1HB LYS 39 18.973 1.844 5.741 271 1HG LYS 39 2HG LYS 39 20.169 1.846 7.838 272 2HG LYS 39 1HG LYS 39 18.577 2.578 8.023 273 1HD LYS 39 2HD LYS 39 18.610 1.222 9.858 274 2HD LYS 39 1HD LYS 39 17.906 0.120 8.674 275 1HE LYS 39 2HE LYS 39 20.051 -0.912 8.294 276 2HE LYS 39 1HE LYS 39 20.841 0.262 9.346 277 1HZ LYS 39 1HZ LYS 39 19.280 -0.633 11.132 278 2HZ LYS 39 2HZ LYS 39 20.575 -1.616 10.667 279 3HZ LYS 39 3HZ LYS 39 19.020 -1.942 10.090 280 H VAL 40 H VAL 40 16.605 -0.483 4.236 281 HA VAL 40 HA VAL 40 16.736 1.424 2.282 282 HB VAL 40 HB VAL 40 15.522 -1.233 2.546 283 1HG1 VAL 40 1HG1 VAL 40 13.516 -0.215 1.692 284 2HG1 VAL 40 2HG1 VAL 40 14.276 -1.186 0.431 285 3HG1 VAL 40 3HG1 VAL 40 14.429 0.571 0.403 286 1HG2 VAL 40 1HG2 VAL 40 17.745 -0.381 1.482 287 2HG2 VAL 40 2HG2 VAL 40 16.731 -0.171 0.054 288 3HG2 VAL 40 3HG2 VAL 40 16.885 -1.762 0.801 289 H SER 41 H SER 41 14.228 1.015 4.650 290 HA SER 41 HA SER 41 12.647 3.129 3.324 291 1HB SER 41 2HB SER 41 11.613 0.777 3.836 292 2HB SER 41 1HB SER 41 11.531 1.369 5.495 293 HG SER 41 HG SER 41 10.399 3.232 4.563 294 H GLN 42 H GLN 42 14.147 2.076 6.315 295 HA GLN 42 HA GLN 42 13.178 4.214 7.908 296 1HB GLN 42 2HB GLN 42 15.409 2.240 8.185 297 2HB GLN 42 1HB GLN 42 15.363 3.631 9.252 298 1HG GLN 42 2HG GLN 42 14.334 1.569 10.180 299 2HG GLN 42 1HG GLN 42 13.272 2.973 10.150 300 1HE2 GLN 42 1HE2 GLN 42 11.533 3.018 8.723 301 2HE2 GLN 42 2HE2 GLN 42 10.944 1.590 7.950 302 H TRP 43 H TRP 43 15.813 3.796 5.678 303 HA TRP 43 HA TRP 43 17.558 5.839 6.189 304 1HB TRP 43 2HB TRP 43 16.436 4.621 3.681 305 2HB TRP 43 1HB TRP 43 17.425 6.062 3.531 306 HD1 TRP 43 HD TRP 43 19.320 4.702 6.095 307 HE1 TRP 43 1HE TRP 43 21.140 3.124 5.299 308 HE3 TRP 43 3HE TRP 43 17.490 3.629 1.449 309 HZ2 TRP 43 2HZ TRP 43 21.751 1.604 3.037 310 HZ3 TRP 43 3HZ TRP 43 18.765 2.078 0.027 311 HH2 TRP 43 HH TRP 43 20.855 1.083 0.804 312 H THR 44 H THR 44 14.828 6.077 3.952 313 HA THR 44 HA THR 44 14.857 8.844 3.697 314 HB THR 44 HB THR 44 13.669 7.021 2.297 315 HG1 THR 44 1HG THR 44 12.563 9.566 2.828 316 1HG2 THR 44 1HG2 THR 44 11.226 7.007 2.612 317 2HG2 THR 44 2HG2 THR 44 11.469 7.712 4.210 318 3HG2 THR 44 3HG2 THR 44 12.119 6.116 3.841 319 H SER 45 H SER 45 13.525 6.871 6.214 320 HA SER 45 HA SER 45 11.758 8.862 7.267 321 1HB SER 45 2HB SER 45 11.299 7.368 8.976 322 2HB SER 45 1HB SER 45 11.879 6.256 7.741 323 HG SER 45 HG SER 45 14.003 6.561 8.791 324 H SER 46 H SER 46 15.085 7.904 7.711 325 HA SER 46 HA SER 46 15.676 9.695 9.838 326 1HB SER 46 2HB SER 46 17.221 7.951 7.974 327 2HB SER 46 1HB SER 46 18.095 9.253 8.766 328 HG SER 46 HG SER 46 17.205 6.906 9.786 329 H CYS 47 H CYS 47 15.670 9.836 6.343 330 HA CYS 47 HA CYS 47 17.006 12.293 5.964 331 1HB CYS 47 2HB CYS 47 16.649 11.106 3.966 332 2HB CYS 47 1HB CYS 47 15.012 10.685 4.390 333 HG CYS 47 HG CYS 47 14.211 12.641 3.140 334 H LEU 48 H LEU 48 13.627 11.432 6.371 335 HA LEU 48 HA LEU 48 12.559 13.998 6.221 336 1HB LEU 48 2HB LEU 48 11.672 11.345 7.147 337 2HB LEU 48 1HB LEU 48 10.800 12.707 7.818 338 HG LEU 48 HG LEU 48 9.873 13.297 5.809 339 1HD1 LEU 48 1HD1 LEU 48 10.822 12.472 3.585 340 2HD1 LEU 48 2HD1 LEU 48 12.260 12.031 4.505 341 3HD1 LEU 48 3HD1 LEU 48 11.733 13.709 4.448 342 1HD2 LEU 48 1HD2 LEU 48 9.433 11.056 4.525 343 2HD2 LEU 48 2HD2 LEU 48 8.779 11.306 6.144 344 3HD2 LEU 48 3HD2 LEU 48 10.240 10.344 5.923 345 H GLU 49 H GLU 49 13.909 12.214 8.944 346 HA GLU 49 HA GLU 49 13.146 14.299 10.772 347 1HB GLU 49 2HB GLU 49 13.557 11.851 11.418 348 2HB GLU 49 1HB GLU 49 15.269 12.278 11.382 349 1HG GLU 49 2HG GLU 49 14.562 14.253 12.868 350 2HG GLU 49 1HG GLU 49 13.111 13.315 13.169 351 H HIS 50 H HIS 50 15.910 13.438 8.837 352 HA HIS 50 HA HIS 50 17.588 15.502 9.977 353 1HB HIS 50 2HB HIS 50 17.934 13.537 7.714 354 2HB HIS 50 1HB HIS 50 19.112 14.805 8.031 355 HD1 HIS 50 1HD HIS 50 19.960 14.749 10.704 356 HD2 HIS 50 2HD HIS 50 18.524 11.242 9.000 357 HE1 HIS 50 1HE HIS 50 20.848 12.889 12.145 358 HE2 HIS 50 2HE HIS 50 19.898 10.781 11.142 359 H CYS 51 H CYS 51 14.979 15.642 8.004 360 HA CYS 51 HA CYS 51 16.042 17.815 6.332 361 1HB CYS 51 2HB CYS 51 14.767 15.802 5.255 362 2HB CYS 51 1HB CYS 51 13.329 16.498 5.990 363 HG CYS 51 HG CYS 51 14.996 17.940 3.792 364 H ILE 52 H ILE 52 13.465 16.760 8.448 365 HA ILE 52 HA ILE 52 12.144 19.237 8.704 366 HB ILE 52 HB ILE 52 11.190 16.971 9.171 367 1HG1 ILE 52 2HG1 ILE 52 10.039 18.962 9.946 368 2HG1 ILE 52 1HG1 ILE 52 9.811 17.601 11.037 369 1HG2 ILE 52 1HG2 ILE 52 12.474 17.106 11.848 370 2HG2 ILE 52 2HG2 ILE 52 13.202 16.233 10.502 371 3HG2 ILE 52 3HG2 ILE 52 11.616 15.763 11.102 372 1HD1 ILE 52 1HD1 ILE 52 11.915 18.740 12.183 373 2HD1 ILE 52 2HD1 ILE 52 10.245 19.151 12.574 374 3HD1 ILE 52 3HD1 ILE 52 11.165 20.161 11.458 375 H LYS 53 H LYS 53 14.583 17.550 10.713 376 HA LYS 53 HA LYS 53 14.748 19.464 12.758 377 1HB LYS 53 2HB LYS 53 16.497 17.267 11.778 378 2HB LYS 53 1HB LYS 53 17.255 18.488 12.777 379 1HG LYS 53 2HG LYS 53 16.465 16.479 14.009 380 2HG LYS 53 1HG LYS 53 15.821 18.001 14.607 381 1HD LYS 53 2HD LYS 53 14.179 16.703 12.567 382 2HD LYS 53 1HD LYS 53 14.342 15.792 14.064 383 1HE LYS 53 2HE LYS 53 13.732 18.692 14.261 384 2HE LYS 53 1HE LYS 53 12.440 17.613 13.744 385 1HZ LYS 53 1HZ LYS 53 13.148 16.251 15.797 386 2HZ LYS 53 2HZ LYS 53 12.205 17.637 16.020 387 3HZ LYS 53 3HZ LYS 53 13.869 17.691 16.316 388 H ARG 54 H ARG 54 16.245 19.279 9.604 389 HA ARG 54 HA ARG 54 18.159 21.343 10.036 390 1HB ARG 54 2HB ARG 54 17.591 19.511 8.004 391 2HB ARG 54 1HB ARG 54 17.302 21.079 7.266 392 1HG ARG 54 2HG ARG 54 19.821 20.518 8.782 393 2HG ARG 54 1HG ARG 54 19.643 20.061 7.089 394 1HD ARG 54 2HD ARG 54 18.759 22.756 7.417 395 2HD ARG 54 1HD ARG 54 20.342 22.580 8.170 396 HE ARG 54 HE ARG 54 20.154 21.445 5.530 397 1HH1 ARG 54 1HH1 ARG 54 20.882 24.325 7.380 398 2HH1 ARG 54 2HH1 ARG 54 21.842 25.031 6.126 399 1HH2 ARG 54 1HH2 ARG 54 21.417 22.381 3.890 400 2HH2 ARG 54 2HH2 ARG 54 22.146 23.931 4.148 401 H LEU 55 H LEU 55 14.961 21.237 8.534 402 HA LEU 55 HA LEU 55 14.817 23.931 7.782 403 1HB LEU 55 2HB LEU 55 12.676 21.927 8.477 404 2HB LEU 55 1HB LEU 55 12.328 23.527 7.839 405 HG LEU 55 HG LEU 55 13.984 21.437 6.431 406 1HD1 LEU 55 1HD1 LEU 55 11.176 22.360 5.862 407 2HD1 LEU 55 2HD1 LEU 55 11.617 20.810 6.580 408 3HD1 LEU 55 3HD1 LEU 55 12.108 21.189 4.929 409 1HD2 LEU 55 1HD2 LEU 55 13.703 22.986 4.511 410 2HD2 LEU 55 2HD2 LEU 55 14.689 23.629 5.823 411 3HD2 LEU 55 3HD2 LEU 55 13.021 24.167 5.629 412 H THR 56 H THR 56 14.331 22.374 10.852 413 HA THR 56 HA THR 56 12.997 24.590 12.089 414 HB THR 56 HB THR 56 13.092 23.340 14.097 415 HG1 THR 56 1HG THR 56 14.637 21.929 14.565 416 1HG2 THR 56 1HG2 THR 56 11.717 21.779 13.358 417 2HG2 THR 56 2HG2 THR 56 13.089 20.842 12.760 418 3HG2 THR 56 3HG2 THR 56 12.311 22.031 11.716 419 H ALA 57 H ALA 57 16.300 23.381 11.915 420 HA ALA 57 HA ALA 57 17.423 25.243 13.738 421 1HB ALA 57 1HB ALA 57 18.906 23.959 11.459 422 2HB ALA 57 2HB ALA 57 18.444 23.060 12.903 423 3HB ALA 57 3HB ALA 57 19.525 24.447 13.037 424 H LEU 58 H LEU 58 16.696 25.292 10.318 425 HA LEU 58 HA LEU 58 18.084 27.791 9.870 426 1HB LEU 58 2HB LEU 58 16.833 25.692 8.252 427 2HB LEU 58 1HB LEU 58 16.575 27.306 7.631 428 HG LEU 58 HG LEU 58 19.337 26.424 8.353 429 1HD1 LEU 58 1HD1 LEU 58 17.691 25.507 6.061 430 2HD1 LEU 58 2HD1 LEU 58 18.967 24.673 6.946 431 3HD1 LEU 58 3HD1 LEU 58 19.380 25.911 5.761 432 1HD2 LEU 58 1HD2 LEU 58 18.076 28.472 6.572 433 2HD2 LEU 58 2HD2 LEU 58 19.737 27.940 6.304 434 3HD2 LEU 58 3HD2 LEU 58 19.286 28.687 7.838 435 H ASN 59 H ASN 59 14.866 26.658 10.556 436 HA ASN 59 HA ASN 59 12.824 27.664 10.662 437 1HB ASN 59 2HB ASN 59 12.820 29.772 11.976 438 2HB ASN 59 1HB ASN 59 13.807 28.505 12.697 439 1HD2 ASN 59 1HD2 ASN 59 13.731 31.662 11.419 440 2HD2 ASN 59 2HD2 ASN 59 15.405 32.034 11.625 441 H LYS 60 H LYS 60 12.597 27.759 8.333 442 HA LYS 60 HA LYS 60 11.723 30.268 7.439 443 1HB LYS 60 2HB LYS 60 14.300 30.473 7.334 444 2HB LYS 60 1HB LYS 60 14.181 29.404 5.943 445 1HG LYS 60 2HG LYS 60 13.836 31.190 4.682 446 2HG LYS 60 1HG LYS 60 12.280 31.394 5.489 447 1HD LYS 60 2HD LYS 60 13.342 33.463 5.752 448 2HD LYS 60 1HD LYS 60 13.598 32.648 7.296 449 1HE LYS 60 2HE LYS 60 15.705 33.468 6.846 450 2HE LYS 60 1HE LYS 60 15.809 31.836 6.187 451 1HZ LYS 60 1HZ LYS 60 15.132 34.218 4.554 452 2HZ LYS 60 2HZ LYS 60 15.505 32.664 3.999 453 3HZ LYS 60 3HZ LYS 60 16.705 33.614 4.720 454 HA PRO 61 HA PRO 61 10.339 30.962 6.196 455 1HB PRO 61 2HB PRO 61 7.660 30.157 5.545 456 2HB PRO 61 1HB PRO 61 8.710 31.266 4.669 457 1HG PRO 61 2HG PRO 61 7.920 28.807 3.725 458 2HG PRO 61 1HG PRO 61 9.380 29.663 3.199 459 1HD PRO 61 2HD PRO 61 9.094 27.418 5.156 460 2HD PRO 61 1HD PRO 61 10.365 27.710 3.948 461 H PHE 62 H PHE 62 7.757 28.572 6.729 462 HA PHE 62 HA PHE 62 8.101 28.828 9.616 463 1HB PHE 62 2HB PHE 62 6.001 30.122 8.105 464 2HB PHE 62 1HB PHE 62 5.318 28.973 9.250 465 HD1 PHE 62 1HD PHE 62 7.456 31.958 8.921 466 HD2 PHE 62 2HD PHE 62 5.323 29.404 11.573 467 HE1 PHE 62 1HE PHE 62 7.761 33.594 10.734 468 HE2 PHE 62 2HE PHE 62 5.621 31.035 13.391 469 HZ PHE 62 HZ PHE 62 6.842 33.133 12.972 470 H LYS 63 H LYS 63 5.406 27.589 7.662 471 HA LYS 63 HA LYS 63 5.696 25.007 8.990 472 1HB LYS 63 2HB LYS 63 3.487 26.484 8.430 473 2HB LYS 63 1HB LYS 63 3.503 25.396 7.050 474 1HG LYS 63 2HG LYS 63 3.876 23.593 8.961 475 2HG LYS 63 1HG LYS 63 3.044 24.821 9.917 476 1HD LYS 63 2HD LYS 63 1.266 24.849 8.139 477 2HD LYS 63 1HD LYS 63 2.055 23.441 7.428 478 1HE LYS 63 2HE LYS 63 1.533 23.217 10.305 479 2HE LYS 63 1HE LYS 63 0.084 23.354 9.311 480 1HZ LYS 63 1HZ LYS 63 2.225 21.429 8.650 481 2HZ LYS 63 2HZ LYS 63 0.610 21.423 8.148 482 3HZ LYS 63 3HZ LYS 63 0.999 21.038 9.749 483 H TYR 64 H TYR 64 6.643 23.321 8.042 484 HA TYR 64 HA TYR 64 6.600 23.150 5.123 485 1HB TYR 64 2HB TYR 64 9.079 22.240 5.457 486 2HB TYR 64 1HB TYR 64 8.745 23.946 5.190 487 HD1 TYR 64 1HD TYR 64 9.578 21.424 7.758 488 HD2 TYR 64 2HD TYR 64 9.210 25.566 6.869 489 HE1 TYR 64 1HE TYR 64 10.715 21.972 9.868 490 HE2 TYR 64 2HE TYR 64 10.348 26.127 8.974 491 HH TYR 64 HH TYR 64 11.806 25.155 10.597 492 H VAL 65 H VAL 65 6.409 21.128 4.311 493 HA VAL 65 HA VAL 65 6.270 18.946 6.281 494 HB VAL 65 HB VAL 65 5.118 18.323 3.668 495 1HG1 VAL 65 1HG1 VAL 65 4.223 18.063 6.510 496 2HG1 VAL 65 2HG1 VAL 65 4.805 16.801 5.424 497 3HG1 VAL 65 3HG1 VAL 65 3.237 17.556 5.138 498 1HG2 VAL 65 1HG2 VAL 65 3.506 20.226 5.293 499 2HG2 VAL 65 2HG2 VAL 65 3.205 19.615 3.667 500 3HG2 VAL 65 3HG2 VAL 65 4.513 20.759 3.949 501 H VAL 66 H VAL 66 7.172 16.901 5.698 502 HA VAL 66 HA VAL 66 8.967 16.991 3.375 503 HB VAL 66 HB VAL 66 9.907 15.712 5.920 504 1HG1 VAL 66 1HG1 VAL 66 10.880 15.455 3.505 505 2HG1 VAL 66 2HG1 VAL 66 11.956 15.635 4.888 506 3HG1 VAL 66 3HG1 VAL 66 11.610 17.021 3.855 507 1HG2 VAL 66 1HG2 VAL 66 9.436 18.015 6.545 508 2HG2 VAL 66 2HG2 VAL 66 10.317 18.601 5.135 509 3HG2 VAL 66 3HG2 VAL 66 11.178 17.766 6.428 510 H THR 67 H THR 67 8.117 15.473 2.074 511 HA THR 67 HA THR 67 7.744 12.798 3.268 512 HB THR 67 HB THR 67 5.535 13.613 2.853 513 HG1 THR 67 1HG THR 67 6.078 11.434 2.155 514 1HG2 THR 67 1HG2 THR 67 4.748 14.497 0.847 515 2HG2 THR 67 2HG2 THR 67 6.196 14.007 -0.034 516 3HG2 THR 67 3HG2 THR 67 6.278 15.322 1.139 517 H CYS 68 H CYS 68 8.383 11.044 2.144 518 HA CYS 68 HA CYS 68 9.608 11.451 -0.492 519 1HB CYS 68 2HB CYS 68 11.339 11.540 1.352 520 2HB CYS 68 1HB CYS 68 10.928 9.870 1.716 521 HG CYS 68 HG CYS 68 12.240 10.743 -0.969 522 H ILE 69 H ILE 69 9.804 9.521 -1.746 523 HA ILE 69 HA ILE 69 8.312 7.192 -0.764 524 HB ILE 69 HB ILE 69 7.870 8.545 -3.431 525 1HG1 ILE 69 2HG1 ILE 69 5.593 7.982 -1.659 526 2HG1 ILE 69 1HG1 ILE 69 6.725 9.180 -1.048 527 1HG2 ILE 69 1HG2 ILE 69 6.637 6.004 -2.389 528 2HG2 ILE 69 2HG2 ILE 69 7.834 6.117 -3.681 529 3HG2 ILE 69 3HG2 ILE 69 6.227 6.813 -3.902 530 1HD1 ILE 69 1HD1 ILE 69 5.547 9.332 -3.799 531 2HD1 ILE 69 2HD1 ILE 69 6.377 10.596 -2.891 532 3HD1 ILE 69 3HD1 ILE 69 4.778 10.050 -2.383 533 H ILE 70 H ILE 70 9.495 5.403 -1.017 534 HA ILE 70 HA ILE 70 11.866 5.477 -2.687 535 HB ILE 70 HB ILE 70 12.399 3.290 -1.697 536 1HG1 ILE 70 2HG1 ILE 70 10.231 3.449 0.299 537 2HG1 ILE 70 1HG1 ILE 70 9.714 3.003 -1.324 538 1HG2 ILE 70 1HG2 ILE 70 11.635 5.476 0.228 539 2HG2 ILE 70 2HG2 ILE 70 13.197 5.227 -0.553 540 3HG2 ILE 70 3HG2 ILE 70 12.625 4.082 0.660 541 1HD1 ILE 70 1HD1 ILE 70 11.907 1.412 -0.940 542 2HD1 ILE 70 2HD1 ILE 70 10.226 0.926 -0.719 543 3HD1 ILE 70 3HD1 ILE 70 11.177 1.467 0.664 544 H MET 71 H MET 71 12.322 4.097 -4.385 545 HA MET 71 HA MET 71 10.040 2.576 -5.461 546 1HB MET 71 2HB MET 71 11.588 4.723 -6.660 547 2HB MET 71 1HB MET 71 11.634 3.270 -7.649 548 1HG MET 71 2HG MET 71 9.100 4.527 -6.630 549 2HG MET 71 1HG MET 71 9.808 4.866 -8.209 550 1HE MET 71 1HE MET 71 8.463 3.650 -10.250 551 2HE MET 71 2HE MET 71 9.017 1.981 -10.382 552 3HE MET 71 3HE MET 71 10.169 3.266 -10.017 553 H GLN 72 H GLN 72 10.475 0.485 -5.359 554 HA GLN 72 HA GLN 72 12.969 -0.661 -4.898 555 1HB GLN 72 2HB GLN 72 10.526 -1.625 -4.736 556 2HB GLN 72 1HB GLN 72 10.865 -2.199 -6.363 557 1HG GLN 72 2HG GLN 72 13.023 -3.162 -5.306 558 2HG GLN 72 1HG GLN 72 12.158 -2.962 -3.783 559 1HE2 GLN 72 1HE2 GLN 72 12.926 -5.439 -4.544 560 2HE2 GLN 72 2HE2 GLN 72 11.554 -6.380 -5.008 561 H LYS 73 H LYS 73 14.596 -0.105 -6.257 562 HA LYS 73 HA LYS 73 15.909 -0.057 -8.099 563 1HB LYS 73 2HB LYS 73 15.742 -2.458 -7.955 564 2HB LYS 73 1HB LYS 73 14.197 -2.450 -8.791 565 1HG LYS 73 2HG LYS 73 15.147 -2.225 -10.835 566 2HG LYS 73 1HG LYS 73 16.493 -1.260 -10.225 567 1HD LYS 73 2HD LYS 73 17.571 -3.221 -10.751 568 2HD LYS 73 1HD LYS 73 17.170 -3.510 -9.058 569 1HE LYS 73 2HE LYS 73 15.499 -5.011 -9.571 570 2HE LYS 73 1HE LYS 73 15.238 -4.332 -11.177 571 1HZ LYS 73 1HZ LYS 73 16.348 -6.553 -11.124 572 2HZ LYS 73 2HZ LYS 73 17.695 -5.808 -10.423 573 3HZ LYS 73 3HZ LYS 73 17.195 -5.361 -11.976 574 H ASN 74 H ASN 74 13.152 -1.267 -9.976 575 HA ASN 74 HA ASN 74 12.057 1.123 -10.843 576 1HB ASN 74 2HB ASN 74 13.137 1.261 -13.146 577 2HB ASN 74 1HB ASN 74 14.120 1.820 -11.795 578 1HD2 ASN 74 1HD2 ASN 74 16.075 0.978 -11.542 579 2HD2 ASN 74 2HD2 ASN 74 16.688 -0.403 -12.379 580 H GLY 75 H GLY 75 11.194 -1.486 -10.275 581 1HA GLY 75 2HA GLY 75 9.982 -2.181 -12.869 582 2HA GLY 75 1HA GLY 75 10.679 -3.442 -11.864 583 H ALA 76 H ALA 76 8.781 -0.628 -10.852 584 HA ALA 76 HA ALA 76 6.575 -2.418 -10.117 585 1HB ALA 76 1HB ALA 76 6.452 -0.916 -7.971 586 2HB ALA 76 2HB ALA 76 8.172 -0.691 -8.287 587 3HB ALA 76 3HB ALA 76 7.527 -2.312 -8.031 588 H GLY 77 H GLY 77 4.723 -1.665 -10.897 589 1HA GLY 77 2HA GLY 77 4.524 0.927 -12.068 590 2HA GLY 77 1HA GLY 77 3.215 -0.230 -11.883 591 H LEU 78 H LEU 78 4.490 2.705 -10.841 592 HA LEU 78 HA LEU 78 2.518 2.807 -8.662 593 1HB LEU 78 2HB LEU 78 4.945 2.581 -7.898 594 2HB LEU 78 1HB LEU 78 5.181 4.202 -8.524 595 HG LEU 78 HG LEU 78 4.790 4.110 -6.069 596 1HD1 LEU 78 1HD1 LEU 78 3.671 6.097 -6.045 597 2HD1 LEU 78 2HD1 LEU 78 2.459 5.558 -7.208 598 3HD1 LEU 78 3HD1 LEU 78 4.075 6.004 -7.760 599 1HD2 LEU 78 1HD2 LEU 78 3.164 2.226 -6.155 600 2HD2 LEU 78 2HD2 LEU 78 1.973 3.346 -6.816 601 3HD2 LEU 78 3HD2 LEU 78 2.619 3.602 -5.195 602 H HIS 79 H HIS 79 1.102 4.391 -8.911 603 HA HIS 79 HA HIS 79 1.919 6.841 -10.306 604 1HB HIS 79 2HB HIS 79 -0.251 4.960 -11.052 605 2HB HIS 79 1HB HIS 79 -0.633 6.675 -11.146 606 HD1 HIS 79 1HD HIS 79 0.268 4.188 -13.337 607 HD2 HIS 79 2HD HIS 79 1.911 7.925 -12.559 608 HE1 HIS 79 1HE HIS 79 1.582 4.786 -15.396 609 HE2 HIS 79 2HE HIS 79 2.494 7.090 -14.937 610 H THR 80 H THR 80 1.696 8.431 -8.888 611 HA THR 80 HA THR 80 -0.371 8.251 -6.826 612 HB THR 80 HB THR 80 1.860 10.274 -7.069 613 HG1 THR 80 1HG THR 80 3.098 8.688 -6.519 614 1HG2 THR 80 1HG2 THR 80 0.691 11.237 -5.423 615 2HG2 THR 80 2HG2 THR 80 1.409 9.968 -4.431 616 3HG2 THR 80 3HG2 THR 80 -0.224 9.772 -5.069 617 H ALA 81 H ALA 81 -1.757 10.026 -6.354 618 HA ALA 81 HA ALA 81 -2.063 12.017 -8.494 619 1HB ALA 81 1HB ALA 81 -4.463 10.627 -7.341 620 2HB ALA 81 2HB ALA 81 -3.633 10.010 -8.770 621 3HB ALA 81 3HB ALA 81 -4.353 11.619 -8.794 622 H ALA 82 H ALA 82 -2.790 14.022 -7.789 623 HA ALA 82 HA ALA 82 -3.829 14.332 -5.125 624 1HB ALA 82 1HB ALA 82 -1.962 15.905 -4.469 625 2HB ALA 82 2HB ALA 82 -1.036 15.171 -5.779 626 3HB ALA 82 3HB ALA 82 -1.608 14.178 -4.439 627 H SER 83 H SER 83 -5.131 15.987 -4.995 628 HA SER 83 HA SER 83 -4.851 18.186 -6.933 629 1HB SER 83 2HB SER 83 -6.811 16.656 -7.390 630 2HB SER 83 1HB SER 83 -7.472 17.146 -5.831 631 HG SER 83 HG SER 83 -7.012 18.739 -8.121 632 H CYS 84 H CYS 84 -4.345 20.007 -5.905 633 HA CYS 84 HA CYS 84 -5.005 20.256 -3.073 634 1HB CYS 84 2HB CYS 84 -3.239 22.075 -4.665 635 2HB CYS 84 1HB CYS 84 -3.303 21.899 -2.920 636 HG CYS 84 HG CYS 84 -1.213 20.634 -3.823 637 H TRP 85 H TRP 85 -6.024 22.027 -2.191 638 HA TRP 85 HA TRP 85 -8.024 23.239 -3.846 639 1HB TRP 85 2HB TRP 85 -7.917 22.594 -1.222 640 2HB TRP 85 1HB TRP 85 -7.548 24.311 -1.124 641 HD1 TRP 85 HD TRP 85 -10.149 22.419 -3.303 642 HE1 TRP 85 1HE TRP 85 -12.433 23.536 -2.938 643 HE3 TRP 85 3HE TRP 85 -8.800 25.921 0.168 644 HZ2 TRP 85 2HZ TRP 85 -13.528 25.626 -1.387 645 HZ3 TRP 85 3HZ TRP 85 -10.526 27.441 1.041 646 HH2 TRP 85 HH TRP 85 -12.840 27.296 0.279 647 H TRP 86 H TRP 86 -8.197 25.824 -2.665 648 HA TRP 86 HA TRP 86 -6.206 27.194 -4.256 649 1HB TRP 86 2HB TRP 86 -8.656 28.121 -2.761 650 2HB TRP 86 1HB TRP 86 -7.551 29.239 -3.555 651 HD1 TRP 86 HD TRP 86 -10.698 27.648 -4.206 652 HE1 TRP 86 1HE TRP 86 -11.181 27.439 -6.725 653 HE3 TRP 86 3HE TRP 86 -5.994 28.517 -6.009 654 HZ2 TRP 86 2HZ TRP 86 -9.756 27.620 -9.157 655 HZ3 TRP 86 3HZ TRP 86 -5.638 28.481 -8.443 656 HH2 TRP 86 HH TRP 86 -7.482 28.041 -9.983 657 H ASP 87 H ASP 87 -5.464 29.384 -3.245 658 HA ASP 87 HA ASP 87 -4.374 30.580 -1.621 659 1HB ASP 87 2HB ASP 87 -5.939 29.093 0.013 660 2HB ASP 87 1HB ASP 87 -4.355 28.465 0.454 661 H SER 88 H SER 88 -2.485 30.568 -2.681 662 HA SER 88 HA SER 88 -0.744 28.274 -2.677 663 1HB SER 88 2HB SER 88 -0.741 29.559 -4.679 664 2HB SER 88 1HB SER 88 -0.480 31.063 -3.797 665 HG SER 88 HG SER 88 1.376 29.801 -4.891 666 H THR 89 H THR 89 -1.394 30.401 -0.278 667 HA THR 89 HA THR 89 1.076 31.386 0.560 668 HB THR 89 HB THR 89 -1.063 32.081 1.547 669 HG1 THR 89 1HG THR 89 0.185 32.626 3.123 670 1HG2 THR 89 1HG2 THR 89 -2.436 30.797 2.830 671 2HG2 THR 89 2HG2 THR 89 -1.151 29.675 3.282 672 3HG2 THR 89 3HG2 THR 89 -1.872 29.590 1.675 673 H THR 90 H THR 90 -0.331 28.203 0.825 674 HA THR 90 HA THR 90 2.092 27.262 2.183 675 HB THR 90 HB THR 90 0.803 25.592 3.293 676 HG1 THR 90 1HG THR 90 -1.229 26.297 1.470 677 1HG2 THR 90 1HG2 THR 90 -1.345 27.534 3.570 678 2HG2 THR 90 2HG2 THR 90 0.267 28.215 3.797 679 3HG2 THR 90 3HG2 THR 90 -0.261 26.851 4.783 680 H ASP 91 H ASP 91 2.563 27.465 -0.323 681 HA ASP 91 HA ASP 91 2.150 24.778 -1.418 682 1HB ASP 91 2HB ASP 91 0.715 26.765 -2.423 683 2HB ASP 91 1HB ASP 91 2.200 27.074 -3.318 684 H GLY 92 H GLY 92 4.214 24.136 -0.911 685 1HA GLY 92 2HA GLY 92 6.317 25.374 -2.563 686 2HA GLY 92 1HA GLY 92 6.628 24.991 -0.879 687 H SER 93 H SER 93 4.571 22.676 -2.200 688 HA SER 93 HA SER 93 6.198 20.520 -1.843 689 1HB SER 93 2HB SER 93 4.548 19.252 -2.858 690 2HB SER 93 1HB SER 93 3.659 20.723 -2.467 691 HG SER 93 HG SER 93 3.832 21.377 -4.583 692 H ARG 94 H ARG 94 8.177 20.243 -2.619 693 HA ARG 94 HA ARG 94 8.566 20.362 -5.530 694 1HB ARG 94 2HB ARG 94 10.413 21.424 -3.388 695 2HB ARG 94 1HB ARG 94 10.927 21.136 -5.043 696 1HG ARG 94 2HG ARG 94 8.667 22.972 -4.286 697 2HG ARG 94 1HG ARG 94 10.333 23.499 -4.532 698 1HD ARG 94 2HD ARG 94 10.218 23.261 -6.781 699 2HD ARG 94 1HD ARG 94 9.138 21.873 -6.688 700 HE ARG 94 HE ARG 94 7.918 24.367 -5.926 701 1HH1 ARG 94 1HH1 ARG 94 8.636 22.220 -8.593 702 2HH1 ARG 94 2HH1 ARG 94 7.357 22.833 -9.586 703 1HH2 ARG 94 1HH2 ARG 94 6.241 25.166 -7.237 704 2HH2 ARG 94 2HH2 ARG 94 6.001 24.502 -8.819 705 H THR 95 H THR 95 8.845 18.306 -6.127 706 HA THR 95 HA THR 95 10.077 16.434 -4.290 707 HB THR 95 HB THR 95 7.934 15.974 -5.553 708 HG1 THR 95 1HG THR 95 9.357 14.383 -4.535 709 1HG2 THR 95 1HG2 THR 95 7.847 15.596 -7.745 710 2HG2 THR 95 2HG2 THR 95 9.447 14.854 -7.786 711 3HG2 THR 95 3HG2 THR 95 9.289 16.611 -7.796 712 H VAL 96 H VAL 96 11.819 15.112 -4.739 713 HA VAL 96 HA VAL 96 13.481 15.828 -7.052 714 HB VAL 96 HB VAL 96 14.616 15.443 -4.281 715 1HG1 VAL 96 1HG1 VAL 96 16.504 16.763 -5.611 716 2HG1 VAL 96 2HG1 VAL 96 15.736 15.952 -6.977 717 3HG1 VAL 96 3HG1 VAL 96 16.384 15.003 -5.638 718 1HG2 VAL 96 1HG2 VAL 96 14.336 18.069 -5.724 719 2HG2 VAL 96 2HG2 VAL 96 14.863 17.790 -4.065 720 3HG2 VAL 96 3HG2 VAL 96 13.182 17.504 -4.515 721 H ARG 97 H ARG 97 14.185 14.075 -8.118 722 HA ARG 97 HA ARG 97 13.728 11.457 -6.923 723 1HB ARG 97 2HB ARG 97 13.274 12.415 -9.435 724 2HB ARG 97 1HB ARG 97 14.807 11.584 -9.661 725 1HG ARG 97 2HG ARG 97 13.423 9.848 -10.078 726 2HG ARG 97 1HG ARG 97 13.511 9.680 -8.324 727 1HD ARG 97 2HD ARG 97 11.212 9.536 -8.968 728 2HD ARG 97 1HD ARG 97 11.457 11.083 -8.160 729 HE ARG 97 HE ARG 97 10.876 12.136 -10.098 730 1HH1 ARG 97 1HH1 ARG 97 11.725 8.830 -10.868 731 2HH1 ARG 97 2HH1 ARG 97 11.234 8.964 -12.523 732 1HH2 ARG 97 1HH2 ARG 97 10.233 12.301 -12.273 733 2HH2 ARG 97 2HH2 ARG 97 10.389 10.930 -13.319 734 H TRP 98 H TRP 98 15.309 10.562 -5.792 735 HA TRP 98 HA TRP 98 18.103 11.157 -6.467 736 1HB TRP 98 2HB TRP 98 16.654 10.509 -4.019 737 2HB TRP 98 1HB TRP 98 18.086 9.512 -4.205 738 HD1 TRP 98 HD TRP 98 17.314 12.206 -2.250 739 HE1 TRP 98 1HE TRP 98 19.226 13.895 -1.953 740 HE3 TRP 98 3HE TRP 98 20.244 10.894 -6.238 741 HZ2 TRP 98 2HZ TRP 98 21.595 14.622 -3.207 742 HZ3 TRP 98 3HZ TRP 98 22.330 12.145 -6.614 743 HH2 TRP 98 HH TRP 98 22.997 13.968 -5.129 744 H GLU 99 H GLU 99 19.312 9.745 -7.528 745 HA GLU 99 HA GLU 99 18.580 6.899 -7.510 746 1HB GLU 99 2HB GLU 99 19.898 8.094 -9.911 747 2HB GLU 99 1HB GLU 99 18.871 6.674 -9.800 748 1HG GLU 99 2HG GLU 99 18.034 9.561 -9.795 749 2HG GLU 99 1HG GLU 99 17.672 8.326 -11.000 750 H ASN 100 H ASN 100 20.230 5.530 -7.055 751 HA ASN 100 HA ASN 100 22.950 6.665 -7.048 752 1HB ASN 100 2HB ASN 100 23.242 4.850 -5.117 753 2HB ASN 100 1HB ASN 100 22.699 6.489 -4.787 754 1HD2 ASN 100 1HD2 ASN 100 22.140 3.359 -4.102 755 2HD2 ASN 100 2HD2 ASN 100 20.469 3.435 -3.667 756 H LYS 101 H LYS 101 21.972 3.341 -6.292 757 HA LYS 101 HA LYS 101 23.751 2.432 -8.429 758 1HB LYS 101 2HB LYS 101 24.209 1.541 -6.218 759 2HB LYS 101 1HB LYS 101 22.551 0.978 -6.065 760 1HG LYS 101 2HG LYS 101 23.842 -0.083 -8.436 761 2HG LYS 101 1HG LYS 101 24.726 -0.481 -6.962 762 1HD LYS 101 2HD LYS 101 21.757 -0.865 -7.126 763 2HD LYS 101 1HD LYS 101 22.862 -2.081 -7.767 764 1HE LYS 101 2HE LYS 101 24.004 -1.906 -5.448 765 2HE LYS 101 1HE LYS 101 22.486 -1.166 -4.942 766 1HZ LYS 101 1HZ LYS 101 22.499 -3.751 -6.362 767 2HZ LYS 101 2HZ LYS 101 21.313 -3.105 -5.342 768 3HZ LYS 101 3HZ LYS 101 22.762 -3.686 -4.691 769 H SER 102 H SER 102 20.524 1.719 -7.116 770 HA SER 102 HA SER 102 19.513 1.283 -9.792 771 1HB SER 102 2HB SER 102 20.516 -0.929 -8.912 772 2HB SER 102 1HB SER 102 19.133 -0.960 -7.819 773 HG SER 102 HG SER 102 19.249 -1.592 -10.435 774 H MET 103 H MET 103 18.854 1.040 -6.315 775 HA MET 103 HA MET 103 16.046 1.313 -6.538 776 1HB MET 103 2HB MET 103 17.694 0.613 -4.527 777 2HB MET 103 1HB MET 103 17.382 2.283 -4.075 778 1HG MET 103 2HG MET 103 15.592 1.476 -3.033 779 2HG MET 103 1HG MET 103 14.874 1.379 -4.639 780 1HE MET 103 1HE MET 103 13.326 -1.121 -2.964 781 2HE MET 103 2HE MET 103 14.208 0.088 -2.031 782 3HE MET 103 3HE MET 103 14.569 -1.626 -1.819 783 H TYR 104 H TYR 104 14.744 3.065 -6.572 784 HA TYR 104 HA TYR 104 16.040 5.683 -6.885 785 1HB TYR 104 2HB TYR 104 13.319 4.609 -7.643 786 2HB TYR 104 1HB TYR 104 13.673 6.332 -7.665 787 HD1 TYR 104 1HD TYR 104 15.574 3.311 -8.784 788 HD2 TYR 104 2HD TYR 104 13.893 7.073 -9.834 789 HE1 TYR 104 1HE TYR 104 16.499 3.082 -11.050 790 HE2 TYR 104 2HE TYR 104 14.811 6.856 -12.105 791 HH TYR 104 HH TYR 104 15.995 3.970 -13.342 792 H CYS 105 H CYS 105 15.117 7.554 -5.825 793 HA CYS 105 HA CYS 105 13.352 7.060 -3.566 794 1HB CYS 105 2HB CYS 105 16.160 8.137 -3.253 795 2HB CYS 105 1HB CYS 105 14.922 8.244 -2.006 796 HG CYS 105 HG CYS 105 16.255 5.596 -2.928 797 H ILE 106 H ILE 106 11.808 8.451 -4.225 798 HA ILE 106 HA ILE 106 12.560 11.118 -5.136 799 HB ILE 106 HB ILE 106 10.883 10.125 -6.487 800 1HG1 ILE 106 2HG1 ILE 106 9.017 11.761 -4.861 801 2HG1 ILE 106 1HG1 ILE 106 10.491 12.555 -5.407 802 1HG2 ILE 106 1HG2 ILE 106 9.983 8.364 -5.321 803 2HG2 ILE 106 2HG2 ILE 106 8.633 9.498 -5.359 804 3HG2 ILE 106 3HG2 ILE 106 9.618 9.349 -3.905 805 1HD1 ILE 106 1HD1 ILE 106 8.894 11.019 -7.376 806 2HD1 ILE 106 2HD1 ILE 106 9.893 12.455 -7.599 807 3HD1 ILE 106 3HD1 ILE 106 8.307 12.593 -6.841 808 H CYS 107 H CYS 107 12.926 12.596 -3.627 809 HA CYS 107 HA CYS 107 11.289 12.563 -1.178 810 1HB CYS 107 2HB CYS 107 13.155 13.843 -0.142 811 2HB CYS 107 1HB CYS 107 13.634 12.240 -0.685 812 HG CYS 107 HG CYS 107 15.257 13.239 -2.235 813 H THR 108 H THR 108 9.785 14.086 -1.077 814 HA THR 108 HA THR 108 10.256 16.598 -2.518 815 HB THR 108 HB THR 108 8.214 14.936 -2.991 816 HG1 THR 108 1HG THR 108 7.155 16.737 -3.857 817 1HG2 THR 108 1HG2 THR 108 7.418 15.591 -0.508 818 2HG2 THR 108 2HG2 THR 108 6.307 15.195 -1.816 819 3HG2 THR 108 3HG2 THR 108 6.649 16.881 -1.428 820 H VAL 109 H VAL 109 10.070 18.524 -1.539 821 HA VAL 109 HA VAL 109 9.527 18.479 1.359 822 HB VAL 109 HB VAL 109 11.001 20.837 0.394 823 1HG1 VAL 109 1HG1 VAL 109 12.428 20.024 2.426 824 2HG1 VAL 109 2HG1 VAL 109 11.041 18.974 2.720 825 3HG1 VAL 109 3HG1 VAL 109 10.830 20.725 2.678 826 1HG2 VAL 109 1HG2 VAL 109 13.176 19.754 0.237 827 2HG2 VAL 109 2HG2 VAL 109 12.088 19.173 -1.024 828 3HG2 VAL 109 3HG2 VAL 109 12.410 18.172 0.391 829 H PHE 110 H PHE 110 7.797 19.549 1.957 830 HA PHE 110 HA PHE 110 6.472 21.294 0.039 831 1HB PHE 110 2HB PHE 110 5.643 19.853 2.527 832 2HB PHE 110 1HB PHE 110 4.667 21.176 1.924 833 HD1 PHE 110 1HD PHE 110 3.201 20.879 0.104 834 HD2 PHE 110 2HD PHE 110 5.997 17.834 1.112 835 HE1 PHE 110 1HE PHE 110 2.043 19.320 -1.408 836 HE2 PHE 110 2HE PHE 110 4.847 16.272 -0.402 837 HZ PHE 110 HZ PHE 110 2.867 17.014 -1.662 838 H GLY 111 H GLY 111 7.427 23.277 0.153 839 1HA GLY 111 2HA GLY 111 7.996 24.504 2.738 840 2HA GLY 111 1HA GLY 111 8.344 25.197 1.156 841 H LEU 112 H LEU 112 5.992 24.863 3.693 842 HA LEU 112 HA LEU 112 4.050 26.407 2.145 843 1HB LEU 112 2HB LEU 112 3.861 24.764 4.653 844 2HB LEU 112 1HB LEU 112 2.568 25.836 4.154 845 HG LEU 112 HG LEU 112 2.062 24.536 2.259 846 1HD1 LEU 112 1HD1 LEU 112 4.680 23.119 2.630 847 2HD1 LEU 112 2HD1 LEU 112 4.259 24.235 1.333 848 3HD1 LEU 112 3HD1 LEU 112 3.442 22.677 1.454 849 1HD2 LEU 112 1HD2 LEU 112 1.270 23.429 4.193 850 2HD2 LEU 112 2HD2 LEU 112 2.850 22.699 4.484 851 3HD2 LEU 112 3HD2 LEU 112 1.894 22.208 3.085 852 H ALA 113 H ALA 113 3.895 28.495 2.363 853 HA ALA 113 HA ALA 113 5.247 29.870 4.519 854 1HB ALA 113 1HB ALA 113 3.543 31.377 2.625 855 2HB ALA 113 2HB ALA 113 4.928 30.517 1.950 856 3HB ALA 113 3HB ALA 113 5.169 31.723 3.214 857 H ILE 114 H ILE 114 3.935 29.073 6.273 858 HA ILE 114 HA ILE 114 2.354 29.362 7.886 859 HB ILE 114 HB ILE 114 1.358 31.740 6.323 860 1HG1 ILE 114 2HG1 ILE 114 3.805 31.891 6.659 861 2HG1 ILE 114 1HG1 ILE 114 2.932 33.109 7.583 862 1HG2 ILE 114 1HG2 ILE 114 0.957 30.676 9.058 863 2HG2 ILE 114 2HG2 ILE 114 -0.166 31.520 7.993 864 3HG2 ILE 114 3HG2 ILE 114 1.062 32.427 8.876 865 1HD1 ILE 114 1HD1 ILE 114 3.879 30.510 8.753 866 2HD1 ILE 114 2HD1 ILE 114 3.264 31.924 9.610 867 3HD1 ILE 114 3HD1 ILE 114 4.820 32.000 8.783 868 1H MET 1 1HT MET 1 -11.741 -14.625 -1.432 869 HA MET 1 HA MET 1 -12.741 -16.495 -1.959 870 1HB MET 1 2HB MET 1 -14.161 -14.318 -3.506 871 2HB MET 1 1HB MET 1 -14.894 -15.841 -3.020 872 1HG MET 1 2HG MET 1 -14.766 -15.278 -0.729 873 2HG MET 1 1HG MET 1 -13.716 -13.901 -1.055 874 1HE MET 1 1HE MET 1 -16.484 -14.379 0.567 875 2HE MET 1 2HE MET 1 -17.563 -13.035 0.195 876 3HE MET 1 3HE MET 1 -15.910 -12.718 0.722 877 H GLU 2 H GLU 2 -12.245 -14.679 -4.976 878 HA GLU 2 HA GLU 2 -11.691 -17.217 -6.333 879 1HB GLU 2 2HB GLU 2 -14.040 -16.635 -6.808 880 2HB GLU 2 1HB GLU 2 -13.522 -15.074 -7.431 881 1HG GLU 2 2HG GLU 2 -12.008 -16.788 -8.908 882 2HG GLU 2 1HG GLU 2 -13.495 -17.711 -8.691 883 H GLY 3 H GLY 3 -11.938 -13.746 -7.146 884 1HA GLY 3 2HA GLY 3 -9.083 -13.663 -7.699 885 2HA GLY 3 1HA GLY 3 -10.134 -13.443 -9.091 886 H VAL 4 H VAL 4 -12.099 -11.855 -8.301 887 HA VAL 4 HA VAL 4 -10.698 -9.379 -7.616 888 HB VAL 4 HB VAL 4 -13.511 -9.671 -8.671 889 1HG1 VAL 4 1HG1 VAL 4 -12.606 -7.530 -7.481 890 2HG1 VAL 4 2HG1 VAL 4 -13.533 -7.389 -8.975 891 3HG1 VAL 4 3HG1 VAL 4 -11.774 -7.269 -9.014 892 1HG2 VAL 4 1HG2 VAL 4 -12.224 -10.594 -10.384 893 2HG2 VAL 4 2HG2 VAL 4 -10.886 -9.479 -10.108 894 3HG2 VAL 4 3HG2 VAL 4 -12.378 -8.898 -10.845 895 H ASP 5 H ASP 5 -10.782 -8.695 -5.583 896 HA ASP 5 HA ASP 5 -13.203 -9.270 -4.003 897 1HB ASP 5 2HB ASP 5 -10.828 -10.308 -3.408 898 2HB ASP 5 1HB ASP 5 -10.606 -8.739 -2.641 899 HA PRO 6 HA PRO 6 -13.152 -4.697 -4.336 900 1HB PRO 6 2HB PRO 6 -15.716 -4.405 -3.394 901 2HB PRO 6 1HB PRO 6 -15.308 -4.674 -5.092 902 1HG PRO 6 2HG PRO 6 -16.229 -6.633 -3.030 903 2HG PRO 6 1HG PRO 6 -16.697 -6.497 -4.736 904 1HD PRO 6 2HD PRO 6 -14.941 -8.347 -3.890 905 2HD PRO 6 1HD PRO 6 -14.780 -7.563 -5.476 906 H ALA 7 H ALA 7 -11.942 -3.863 -2.746 907 HA ALA 7 HA ALA 7 -11.322 -3.068 -0.703 908 1HB ALA 7 1HB ALA 7 -13.372 -3.203 1.047 909 2HB ALA 7 2HB ALA 7 -14.251 -3.267 -0.481 910 3HB ALA 7 3HB ALA 7 -13.174 -1.913 -0.139 911 H VAL 8 H VAL 8 -9.855 -4.572 -0.070 912 HA VAL 8 HA VAL 8 -10.864 -6.911 1.411 913 HB VAL 8 HB VAL 8 -7.970 -6.886 0.902 914 1HG1 VAL 8 1HG1 VAL 8 -8.928 -8.832 1.755 915 2HG1 VAL 8 2HG1 VAL 8 -8.536 -9.191 0.073 916 3HG1 VAL 8 3HG1 VAL 8 -10.203 -8.843 0.537 917 1HG2 VAL 8 1HG2 VAL 8 -8.558 -7.757 -1.540 918 2HG2 VAL 8 2HG2 VAL 8 -8.095 -6.094 -1.192 919 3HG2 VAL 8 3HG2 VAL 8 -9.798 -6.512 -1.385 920 H GLU 9 H GLU 9 -8.521 -4.303 1.422 921 HA GLU 9 HA GLU 9 -8.271 -4.612 4.339 922 1HB GLU 9 2HB GLU 9 -6.022 -3.515 2.706 923 2HB GLU 9 1HB GLU 9 -5.983 -4.354 4.239 924 1HG GLU 9 2HG GLU 9 -6.492 -5.621 1.568 925 2HG GLU 9 1HG GLU 9 -4.986 -5.688 2.481 926 H GLU 10 H GLU 10 -9.955 -3.038 4.529 927 HA GLU 10 HA GLU 10 -9.769 -0.437 3.428 928 1HB GLU 10 2HB GLU 10 -11.842 -1.579 4.351 929 2HB GLU 10 1HB GLU 10 -11.236 -1.187 5.954 930 1HG GLU 10 2HG GLU 10 -11.504 0.987 3.941 931 2HG GLU 10 1HG GLU 10 -12.949 0.368 4.740 932 H ALA 11 H ALA 11 -8.626 1.281 4.041 933 HA ALA 11 HA ALA 11 -7.194 1.144 6.612 934 1HB ALA 11 1HB ALA 11 -6.339 2.947 4.392 935 2HB ALA 11 2HB ALA 11 -5.959 1.228 4.319 936 3HB ALA 11 3HB ALA 11 -5.377 2.202 5.669 937 H ALA 12 H ALA 12 -6.736 3.243 7.646 938 HA ALA 12 HA ALA 12 -7.400 5.192 8.606 939 1HB ALA 12 1HB ALA 12 -7.095 6.336 6.592 940 2HB ALA 12 2HB ALA 12 -8.721 6.786 7.107 941 3HB ALA 12 3HB ALA 12 -8.499 5.579 5.842 942 H PHE 13 H PHE 13 -8.871 5.505 10.128 943 HA PHE 13 HA PHE 13 -11.606 4.509 9.664 944 1HB PHE 13 2HB PHE 13 -10.351 3.111 11.256 945 2HB PHE 13 1HB PHE 13 -10.069 4.524 12.267 946 HD1 PHE 13 1HD PHE 13 -11.816 5.443 13.638 947 HD2 PHE 13 2HD PHE 13 -12.557 2.102 11.108 948 HE1 PHE 13 1HE PHE 13 -13.927 5.018 14.826 949 HE2 PHE 13 2HE PHE 13 -14.671 1.671 12.291 950 HZ PHE 13 HZ PHE 13 -15.359 3.130 14.152 951 H VAL 14 H VAL 14 -9.754 7.269 10.314 952 HA VAL 14 HA VAL 14 -11.884 8.616 11.784 953 HB VAL 14 HB VAL 14 -9.231 9.764 10.915 954 1HG1 VAL 14 1HG1 VAL 14 -10.645 11.537 11.476 955 2HG1 VAL 14 2HG1 VAL 14 -9.730 11.237 12.954 956 3HG1 VAL 14 3HG1 VAL 14 -11.385 10.647 12.806 957 1HG2 VAL 14 1HG2 VAL 14 -8.912 7.765 12.322 958 2HG2 VAL 14 2HG2 VAL 14 -9.924 8.499 13.565 959 3HG2 VAL 14 3HG2 VAL 14 -8.387 9.245 13.124 960 H ALA 15 H ALA 15 -12.644 10.728 11.065 961 HA ALA 15 HA ALA 15 -13.618 12.113 9.549 962 1HB ALA 15 1HB ALA 15 -12.326 12.904 7.788 963 2HB ALA 15 2HB ALA 15 -11.558 11.340 7.518 964 3HB ALA 15 3HB ALA 15 -11.118 12.306 8.926 965 H ASP 16 H ASP 16 -15.165 10.143 9.694 966 HA ASP 16 HA ASP 16 -15.395 8.365 7.521 967 1HB ASP 16 2HB ASP 16 -17.579 9.372 9.358 968 2HB ASP 16 1HB ASP 16 -17.655 7.929 8.351 969 H ASP 17 H ASP 17 -16.612 11.612 8.070 970 HA ASP 17 HA ASP 17 -18.512 11.790 6.048 971 1HB ASP 17 2HB ASP 17 -16.739 13.785 7.407 972 2HB ASP 17 1HB ASP 17 -17.703 14.291 6.023 973 H VAL 18 H VAL 18 -15.044 12.571 5.896 974 HA VAL 18 HA VAL 18 -15.152 13.001 3.044 975 HB VAL 18 HB VAL 18 -12.682 12.728 4.759 976 1HG1 VAL 18 1HG1 VAL 18 -11.918 14.413 2.913 977 2HG1 VAL 18 2HG1 VAL 18 -13.252 13.709 2.000 978 3HG1 VAL 18 3HG1 VAL 18 -11.943 12.681 2.581 979 1HG2 VAL 18 1HG2 VAL 18 -12.826 15.322 4.628 980 2HG2 VAL 18 2HG2 VAL 18 -13.769 14.459 5.842 981 3HG2 VAL 18 3HG2 VAL 18 -14.547 15.034 4.368 982 H SER 19 H SER 19 -14.283 10.430 5.242 983 HA SER 19 HA SER 19 -12.772 8.805 3.566 984 1HB SER 19 2HB SER 19 -13.061 8.428 5.998 985 2HB SER 19 1HB SER 19 -14.717 7.905 5.701 986 HG SER 19 HG SER 19 -12.376 6.688 4.652 987 H ASN 20 H ASN 20 -16.293 9.021 3.927 988 HA ASN 20 HA ASN 20 -16.840 6.837 2.190 989 1HB ASN 20 2HB ASN 20 -19.154 7.598 2.244 990 2HB ASN 20 1HB ASN 20 -18.463 7.639 3.863 991 1HD2 ASN 20 1HD2 ASN 20 -18.704 9.428 4.986 992 2HD2 ASN 20 2HD2 ASN 20 -19.144 10.972 4.350 993 H ILE 21 H ILE 21 -16.656 10.340 1.705 994 HA ILE 21 HA ILE 21 -17.617 10.495 -0.906 995 HB ILE 21 HB ILE 21 -15.443 12.154 0.399 996 1HG1 ILE 21 2HG1 ILE 21 -18.420 12.612 0.156 997 2HG1 ILE 21 1HG1 ILE 21 -17.558 12.178 1.627 998 1HG2 ILE 21 1HG2 ILE 21 -17.136 12.859 -1.997 999 2HG2 ILE 21 2HG2 ILE 21 -15.443 12.371 -2.063 1000 3HG2 ILE 21 3HG2 ILE 21 -15.899 13.864 -1.243 1001 1HD1 ILE 21 1HD1 ILE 21 -17.704 14.769 0.202 1002 2HD1 ILE 21 2HD1 ILE 21 -16.213 14.372 1.055 1003 3HD1 ILE 21 3HD1 ILE 21 -17.743 14.418 1.930 1004 H ILE 22 H ILE 22 -14.211 10.181 0.140 1005 HA ILE 22 HA ILE 22 -13.143 10.000 -2.436 1006 HB ILE 22 HB ILE 22 -11.777 10.449 -0.444 1007 1HG1 ILE 22 2HG1 ILE 22 -10.049 8.436 -1.082 1008 2HG1 ILE 22 1HG1 ILE 22 -11.113 8.431 -2.485 1009 1HG2 ILE 22 1HG2 ILE 22 -12.022 7.514 0.176 1010 2HG2 ILE 22 2HG2 ILE 22 -12.877 8.795 1.036 1011 3HG2 ILE 22 3HG2 ILE 22 -11.116 8.725 1.082 1012 1HD1 ILE 22 1HD1 ILE 22 -10.442 10.499 -3.170 1013 2HD1 ILE 22 2HD1 ILE 22 -8.961 9.922 -2.405 1014 3HD1 ILE 22 3HD1 ILE 22 -10.028 11.027 -1.540 1015 H LYS 23 H LYS 23 -14.057 7.365 -0.191 1016 HA LYS 23 HA LYS 23 -13.294 5.287 -1.855 1017 1HB LYS 23 2HB LYS 23 -14.558 5.571 0.655 1018 2HB LYS 23 1HB LYS 23 -15.566 4.498 -0.304 1019 1HG LYS 23 2HG LYS 23 -13.448 3.229 -0.835 1020 2HG LYS 23 1HG LYS 23 -12.694 4.162 0.454 1021 1HD LYS 23 2HD LYS 23 -14.877 3.348 1.755 1022 2HD LYS 23 1HD LYS 23 -14.757 2.030 0.587 1023 1HE LYS 23 2HE LYS 23 -12.192 2.212 1.403 1024 2HE LYS 23 1HE LYS 23 -13.035 2.711 2.868 1025 1HZ LYS 23 1HZ LYS 23 -13.926 0.297 1.450 1026 2HZ LYS 23 2HZ LYS 23 -14.035 0.674 3.095 1027 3HZ LYS 23 3HZ LYS 23 -12.550 0.212 2.430 1028 H GLU 24 H GLU 24 -16.448 6.853 -1.471 1029 HA GLU 24 HA GLU 24 -17.870 5.297 -3.314 1030 1HB GLU 24 2HB GLU 24 -18.230 7.893 -1.978 1031 2HB GLU 24 1HB GLU 24 -19.039 7.782 -3.528 1032 1HG GLU 24 2HG GLU 24 -19.375 5.550 -1.597 1033 2HG GLU 24 1HG GLU 24 -20.223 7.066 -1.294 1034 H SER 25 H SER 25 -15.764 8.069 -3.729 1035 HA SER 25 HA SER 25 -16.406 8.609 -6.427 1036 1HB SER 25 2HB SER 25 -13.965 9.222 -4.753 1037 2HB SER 25 1HB SER 25 -14.128 9.752 -6.428 1038 HG SER 25 HG SER 25 -15.432 11.268 -5.792 1039 H ILE 26 H ILE 26 -13.761 6.638 -4.982 1040 HA ILE 26 HA ILE 26 -12.579 5.911 -7.435 1041 HB ILE 26 HB ILE 26 -12.615 4.574 -4.743 1042 1HG1 ILE 26 2HG1 ILE 26 -10.083 4.989 -5.148 1043 2HG1 ILE 26 1HG1 ILE 26 -10.648 6.078 -6.410 1044 1HG2 ILE 26 1HG2 ILE 26 -11.692 3.373 -7.300 1045 2HG2 ILE 26 2HG2 ILE 26 -12.355 2.597 -5.862 1046 3HG2 ILE 26 3HG2 ILE 26 -10.681 3.148 -5.873 1047 1HD1 ILE 26 1HD1 ILE 26 -10.174 7.147 -4.216 1048 2HD1 ILE 26 2HD1 ILE 26 -11.541 6.248 -3.556 1049 3HD1 ILE 26 3HD1 ILE 26 -11.798 7.423 -4.845 1050 H ASP 27 H ASP 27 -15.224 4.462 -5.601 1051 HA ASP 27 HA ASP 27 -15.634 2.149 -7.056 1052 1HB ASP 27 2HB ASP 27 -16.884 2.649 -5.027 1053 2HB ASP 27 1HB ASP 27 -17.661 4.018 -5.804 1054 H ALA 28 H ALA 28 -16.546 5.453 -7.776 1055 HA ALA 28 HA ALA 28 -17.903 4.704 -10.244 1056 1HB ALA 28 1HB ALA 28 -17.377 7.438 -9.076 1057 2HB ALA 28 2HB ALA 28 -18.819 6.468 -8.779 1058 3HB ALA 28 3HB ALA 28 -18.472 7.057 -10.405 1059 H VAL 29 H VAL 29 -14.992 6.394 -9.209 1060 HA VAL 29 HA VAL 29 -14.166 7.146 -11.812 1061 HB VAL 29 HB VAL 29 -13.328 7.561 -9.059 1062 1HG1 VAL 29 1HG1 VAL 29 -11.001 8.372 -9.956 1063 2HG1 VAL 29 2HG1 VAL 29 -11.164 6.952 -10.971 1064 3HG1 VAL 29 3HG1 VAL 29 -11.227 6.812 -9.217 1065 1HG2 VAL 29 1HG2 VAL 29 -12.402 9.455 -11.017 1066 2HG2 VAL 29 2HG2 VAL 29 -13.524 9.665 -9.679 1067 3HG2 VAL 29 3HG2 VAL 29 -14.102 9.055 -11.228 1068 H LEU 30 H LEU 30 -14.173 4.166 -10.274 1069 HA LEU 30 HA LEU 30 -12.040 3.221 -12.059 1070 1HB LEU 30 2HB LEU 30 -12.758 2.317 -9.287 1071 2HB LEU 30 1HB LEU 30 -11.847 1.298 -10.384 1072 HG LEU 30 HG LEU 30 -10.401 2.555 -8.798 1073 1HD1 LEU 30 1HD1 LEU 30 -8.757 3.046 -10.339 1074 2HD1 LEU 30 2HD1 LEU 30 -9.914 3.649 -11.524 1075 3HD1 LEU 30 3HD1 LEU 30 -9.785 1.917 -11.222 1076 1HD2 LEU 30 1HD2 LEU 30 -12.009 4.643 -9.105 1077 2HD2 LEU 30 2HD2 LEU 30 -10.826 5.042 -10.341 1078 3HD2 LEU 30 3HD2 LEU 30 -10.314 4.814 -8.670 1079 H GLN 31 H GLN 31 -15.308 2.662 -10.798 1080 HA GLN 31 HA GLN 31 -15.573 0.273 -12.454 1081 1HB GLN 31 2HB GLN 31 -16.561 0.533 -10.097 1082 2HB GLN 31 1HB GLN 31 -17.778 1.529 -10.868 1083 1HG GLN 31 2HG GLN 31 -18.498 -0.253 -12.240 1084 2HG GLN 31 1HG GLN 31 -17.176 -1.264 -11.679 1085 1HE2 GLN 31 1HE2 GLN 31 -20.381 -0.507 -11.273 1086 2HE2 GLN 31 2HE2 GLN 31 -20.640 -1.227 -9.724 1087 H ASN 32 H ASN 32 -16.101 3.637 -12.785 1088 HA ASN 32 HA ASN 32 -18.376 3.979 -14.230 1089 1HB ASN 32 2HB ASN 32 -17.005 5.667 -15.628 1090 2HB ASN 32 1HB ASN 32 -17.123 5.922 -13.892 1091 1HD2 ASN 32 1HD2 ASN 32 -15.181 7.260 -14.610 1092 2HD2 ASN 32 2HD2 ASN 32 -13.641 6.488 -14.492 1093 H GLN 33 H GLN 33 -15.363 2.599 -15.463 1094 HA GLN 33 HA GLN 33 -16.856 1.489 -17.713 1095 1HB GLN 33 2HB GLN 33 -15.419 3.757 -18.114 1096 2HB GLN 33 1HB GLN 33 -14.192 2.541 -18.436 1097 1HG GLN 33 2HG GLN 33 -14.996 2.520 -20.507 1098 2HG GLN 33 1HG GLN 33 -16.338 1.590 -19.840 1099 1HE2 GLN 33 1HE2 GLN 33 -18.325 2.424 -19.920 1100 2HE2 GLN 33 2HE2 GLN 33 -18.712 4.024 -20.443 1101 H GLN 34 H GLN 34 -14.674 0.402 -19.088 1102 HA GLN 34 HA GLN 34 -14.035 -1.801 -17.345 1103 1HB GLN 34 2HB GLN 34 -14.494 -1.643 -20.008 1104 2HB GLN 34 1HB GLN 34 -12.735 -1.622 -19.998 1105 1HG GLN 34 2HG GLN 34 -12.912 -3.843 -20.003 1106 2HG GLN 34 1HG GLN 34 -13.259 -3.665 -18.284 1107 1HE2 GLN 34 1HE2 GLN 34 -14.994 -4.684 -17.611 1108 2HE2 GLN 34 2HE2 GLN 34 -16.384 -5.077 -18.558 1109 H TYR 35 H TYR 35 -11.644 -2.671 -17.659 1110 HA TYR 35 HA TYR 35 -9.974 -0.762 -16.358 1111 1HB TYR 35 2HB TYR 35 -9.953 -3.224 -15.910 1112 2HB TYR 35 1HB TYR 35 -9.196 -3.452 -17.480 1113 HD1 TYR 35 1HD TYR 35 -8.609 -3.012 -14.041 1114 HD2 TYR 35 2HD TYR 35 -6.984 -2.067 -17.859 1115 HE1 TYR 35 1HE TYR 35 -6.398 -2.684 -13.013 1116 HE2 TYR 35 2HE TYR 35 -4.770 -1.738 -16.841 1117 HH TYR 35 HH TYR 35 -3.549 -2.466 -14.812 1118 H SER 36 H SER 36 -9.038 0.903 -17.458 1119 HA SER 36 HA SER 36 -7.835 0.225 -20.082 1120 1HB SER 36 2HB SER 36 -9.446 2.559 -19.198 1121 2HB SER 36 1HB SER 36 -8.073 2.905 -20.249 1122 HG SER 36 HG SER 36 -9.951 2.493 -21.462 1123 H GLU 37 H GLU 37 -5.653 0.322 -20.100 1124 HA GLU 37 HA GLU 37 -4.138 1.058 -17.872 1125 1HB GLU 37 2HB GLU 37 -3.298 -0.390 -19.699 1126 2HB GLU 37 1HB GLU 37 -3.200 1.022 -20.745 1127 1HG GLU 37 2HG GLU 37 -1.172 1.445 -19.979 1128 2HG GLU 37 1HG GLU 37 -1.828 1.655 -18.363 1129 H ALA 38 H ALA 38 -5.026 2.921 -20.739 1130 HA ALA 38 HA ALA 38 -3.479 5.210 -20.195 1131 1HB ALA 38 1HB ALA 38 -4.752 4.655 -22.321 1132 2HB ALA 38 2HB ALA 38 -4.833 6.331 -21.774 1133 3HB ALA 38 3HB ALA 38 -6.192 5.244 -21.492 1134 H LYS 39 H LYS 39 -6.391 3.956 -18.827 1135 HA LYS 39 HA LYS 39 -7.000 6.423 -17.405 1136 1HB LYS 39 2HB LYS 39 -8.472 4.074 -18.309 1137 2HB LYS 39 1HB LYS 39 -8.846 4.511 -16.655 1138 1HG LYS 39 2HG LYS 39 -10.382 5.540 -18.209 1139 2HG LYS 39 1HG LYS 39 -9.431 6.761 -17.364 1140 1HD LYS 39 2HD LYS 39 -9.275 7.541 -19.503 1141 2HD LYS 39 1HD LYS 39 -7.862 6.487 -19.456 1142 1HE LYS 39 2HE LYS 39 -9.087 4.722 -20.551 1143 2HE LYS 39 1HE LYS 39 -10.574 5.669 -20.485 1144 1HZ LYS 39 1HZ LYS 39 -9.279 7.371 -21.845 1145 2HZ LYS 39 2HZ LYS 39 -9.790 5.967 -22.639 1146 3HZ LYS 39 3HZ LYS 39 -8.178 6.122 -22.151 1147 H VAL 40 H VAL 40 -5.369 3.459 -16.933 1148 HA VAL 40 HA VAL 40 -5.894 2.754 -14.345 1149 HB VAL 40 HB VAL 40 -3.676 2.354 -16.222 1150 1HG1 VAL 40 1HG1 VAL 40 -2.250 3.106 -14.433 1151 2HG1 VAL 40 2HG1 VAL 40 -2.117 1.356 -14.607 1152 3HG1 VAL 40 3HG1 VAL 40 -3.072 2.041 -13.291 1153 1HG2 VAL 40 1HG2 VAL 40 -5.690 0.868 -15.491 1154 2HG2 VAL 40 2HG2 VAL 40 -4.577 0.355 -14.223 1155 3HG2 VAL 40 3HG2 VAL 40 -4.138 0.145 -15.919 1156 H SER 41 H SER 41 -4.176 5.564 -15.446 1157 HA SER 41 HA SER 41 -3.511 6.240 -12.649 1158 1HB SER 41 2HB SER 41 -1.651 6.079 -14.486 1159 2HB SER 41 1HB SER 41 -2.277 7.643 -15.008 1160 HG SER 41 HG SER 41 -1.973 8.295 -12.750 1161 H GLN 42 H GLN 42 -5.026 7.340 -15.615 1162 HA GLN 42 HA GLN 42 -5.620 9.958 -14.701 1163 1HB GLN 42 2HB GLN 42 -6.637 8.236 -16.926 1164 2HB GLN 42 1HB GLN 42 -7.524 9.687 -16.495 1165 1HG GLN 42 2HG GLN 42 -5.909 9.968 -18.362 1166 2HG GLN 42 1HG GLN 42 -5.672 11.070 -17.010 1167 1HE2 GLN 42 1HE2 GLN 42 -3.869 10.829 -15.687 1168 2HE2 GLN 42 2HE2 GLN 42 -2.501 9.887 -16.164 1169 H TRP 43 H TRP 43 -7.089 6.826 -14.342 1170 HA TRP 43 HA TRP 43 -9.659 7.292 -13.530 1171 1HB TRP 43 2HB TRP 43 -7.507 5.377 -12.675 1172 2HB TRP 43 1HB TRP 43 -8.987 5.431 -11.735 1173 HD1 TRP 43 HD TRP 43 -10.583 5.881 -14.779 1174 HE1 TRP 43 1HE TRP 43 -11.172 3.715 -15.959 1175 HE3 TRP 43 3HE TRP 43 -7.367 2.739 -12.357 1176 HZ2 TRP 43 2HZ TRP 43 -10.402 1.030 -15.914 1177 HZ3 TRP 43 3HZ TRP 43 -7.352 0.365 -13.004 1178 HH2 TRP 43 HH TRP 43 -8.840 -0.475 -14.749 1179 H THR 44 H THR 44 -6.907 6.990 -11.326 1180 HA THR 44 HA THR 44 -8.180 8.007 -9.077 1181 HB THR 44 HB THR 44 -5.962 6.697 -9.328 1182 HG1 THR 44 1HG THR 44 -6.368 8.755 -7.432 1183 1HG2 THR 44 1HG2 THR 44 -3.973 8.090 -8.915 1184 2HG2 THR 44 2HG2 THR 44 -4.911 9.503 -9.398 1185 3HG2 THR 44 3HG2 THR 44 -4.611 8.207 -10.554 1186 H SER 45 H SER 45 -6.748 9.681 -11.751 1187 HA SER 45 HA SER 45 -6.465 12.202 -10.424 1188 1HB SER 45 2HB SER 45 -5.796 13.058 -12.469 1189 2HB SER 45 1HB SER 45 -5.450 11.351 -12.721 1190 HG SER 45 HG SER 45 -7.651 11.278 -13.650 1191 H SER 46 H SER 46 -8.931 10.537 -12.252 1192 HA SER 46 HA SER 46 -10.811 12.669 -12.310 1193 1HB SER 46 2HB SER 46 -10.821 9.746 -12.908 1194 2HB SER 46 1HB SER 46 -12.374 10.511 -12.610 1195 HG SER 46 HG SER 46 -10.765 10.670 -14.784 1196 H CYS 47 H CYS 47 -9.999 10.076 -10.109 1197 HA CYS 47 HA CYS 47 -12.196 10.241 -8.346 1198 1HB CYS 47 2HB CYS 47 -10.833 8.365 -7.964 1199 2HB CYS 47 1HB CYS 47 -9.358 9.278 -8.129 1200 HG CYS 47 HG CYS 47 -9.296 9.572 -5.692 1201 H LEU 48 H LEU 48 -9.038 11.772 -8.399 1202 HA LEU 48 HA LEU 48 -9.316 13.300 -6.090 1203 1HB LEU 48 2HB LEU 48 -7.540 13.251 -8.442 1204 2HB LEU 48 1HB LEU 48 -7.617 14.778 -7.589 1205 HG LEU 48 HG LEU 48 -6.613 13.951 -5.707 1206 1HD1 LEU 48 1HD1 LEU 48 -6.467 11.443 -5.239 1207 2HD1 LEU 48 2HD1 LEU 48 -7.702 11.267 -6.485 1208 3HD1 LEU 48 3HD1 LEU 48 -8.037 12.215 -5.041 1209 1HD2 LEU 48 1HD2 LEU 48 -4.857 12.190 -6.532 1210 2HD2 LEU 48 2HD2 LEU 48 -4.829 13.842 -7.147 1211 3HD2 LEU 48 3HD2 LEU 48 -5.551 12.555 -8.113 1212 H GLU 49 H GLU 49 -10.290 13.942 -9.415 1213 HA GLU 49 HA GLU 49 -11.091 16.619 -8.734 1214 1HB GLU 49 2HB GLU 49 -10.439 15.831 -11.086 1215 2HB GLU 49 1HB GLU 49 -12.078 15.181 -11.167 1216 1HG GLU 49 2HG GLU 49 -12.790 17.521 -10.377 1217 2HG GLU 49 1HG GLU 49 -11.195 18.024 -10.908 1218 H HIS 50 H HIS 50 -12.533 13.454 -8.921 1219 HA HIS 50 HA HIS 50 -15.213 14.440 -8.453 1220 1HB HIS 50 2HB HIS 50 -14.007 11.684 -8.680 1221 2HB HIS 50 1HB HIS 50 -15.682 11.929 -8.200 1222 HD1 HIS 50 1HD HIS 50 -17.040 13.536 -10.055 1223 HD2 HIS 50 2HD HIS 50 -13.739 11.365 -11.344 1224 HE1 HIS 50 1HE HIS 50 -17.267 13.387 -12.554 1225 HE2 HIS 50 2HE HIS 50 -15.216 12.141 -13.320 1226 H CYS 51 H CYS 51 -12.583 14.239 -6.511 1227 HA CYS 51 HA CYS 51 -14.093 13.425 -4.125 1228 1HB CYS 51 2HB CYS 51 -11.794 12.318 -4.691 1229 2HB CYS 51 1HB CYS 51 -11.093 13.868 -4.242 1230 HG CYS 51 HG CYS 51 -12.634 12.043 -2.246 1231 H ILE 52 H ILE 52 -11.946 15.788 -5.549 1232 HA ILE 52 HA ILE 52 -12.070 17.706 -3.488 1233 HB ILE 52 HB ILE 52 -10.307 17.511 -5.252 1234 1HG1 ILE 52 2HG1 ILE 52 -10.474 19.528 -3.914 1235 2HG1 ILE 52 1HG1 ILE 52 -9.908 19.865 -5.545 1236 1HG2 ILE 52 1HG2 ILE 52 -12.124 18.999 -7.074 1237 2HG2 ILE 52 2HG2 ILE 52 -11.989 17.244 -7.114 1238 3HG2 ILE 52 3HG2 ILE 52 -10.576 18.244 -7.434 1239 1HD1 ILE 52 1HD1 ILE 52 -12.511 20.243 -5.891 1240 2HD1 ILE 52 2HD1 ILE 52 -11.393 21.515 -5.395 1241 3HD1 ILE 52 3HD1 ILE 52 -12.371 20.676 -4.188 1242 H LYS 53 H LYS 53 -13.832 17.332 -6.584 1243 HA LYS 53 HA LYS 53 -15.390 19.657 -6.394 1244 1HB LYS 53 2HB LYS 53 -15.580 17.109 -7.914 1245 2HB LYS 53 1HB LYS 53 -17.048 18.052 -7.774 1246 1HG LYS 53 2HG LYS 53 -15.737 18.474 -9.843 1247 2HG LYS 53 1HG LYS 53 -16.064 19.907 -8.881 1248 1HD LYS 53 2HD LYS 53 -13.552 18.559 -8.237 1249 2HD LYS 53 1HD LYS 53 -13.632 19.218 -9.868 1250 1HE LYS 53 2HE LYS 53 -14.541 20.943 -7.626 1251 2HE LYS 53 1HE LYS 53 -12.811 20.683 -7.815 1252 1HZ LYS 53 1HZ LYS 53 -13.275 21.307 -10.257 1253 2HZ LYS 53 2HZ LYS 53 -13.192 22.537 -9.099 1254 3HZ LYS 53 3HZ LYS 53 -14.697 21.996 -9.652 1255 H ARG 54 H ARG 54 -15.777 16.467 -5.020 1256 HA ARG 54 HA ARG 54 -18.480 16.801 -4.186 1257 1HB ARG 54 2HB ARG 54 -16.623 14.713 -4.222 1258 2HB ARG 54 1HB ARG 54 -16.938 14.983 -2.515 1259 1HG ARG 54 2HG ARG 54 -19.178 14.695 -4.480 1260 2HG ARG 54 1HG ARG 54 -18.388 13.288 -3.769 1261 1HD ARG 54 2HD ARG 54 -19.002 15.149 -1.693 1262 2HD ARG 54 1HD ARG 54 -20.442 14.895 -2.674 1263 HE ARG 54 HE ARG 54 -19.085 12.471 -1.910 1264 1HH1 ARG 54 1HH1 ARG 54 -21.527 14.811 -1.009 1265 2HH1 ARG 54 2HH1 ARG 54 -22.360 13.713 0.039 1266 1HH2 ARG 54 1HH2 ARG 54 -20.186 11.040 -0.531 1267 2HH2 ARG 54 2HH2 ARG 54 -21.600 11.578 0.311 1268 H LEU 55 H LEU 55 -15.354 17.127 -2.568 1269 HA LEU 55 HA LEU 55 -16.320 17.817 -0.032 1270 1HB LEU 55 2HB LEU 55 -13.739 18.474 -1.437 1271 2HB LEU 55 1HB LEU 55 -14.043 18.862 0.248 1272 HG LEU 55 HG LEU 55 -14.099 16.079 -0.913 1273 1HD1 LEU 55 1HD1 LEU 55 -12.023 17.387 0.833 1274 2HD1 LEU 55 2HD1 LEU 55 -11.840 17.038 -0.887 1275 3HD1 LEU 55 3HD1 LEU 55 -12.021 15.717 0.267 1276 1HD2 LEU 55 1HD2 LEU 55 -14.115 15.438 1.486 1277 2HD2 LEU 55 2HD2 LEU 55 -15.581 16.254 0.943 1278 3HD2 LEU 55 3HD2 LEU 55 -14.379 17.136 1.885 1279 H THR 56 H THR 56 -15.941 19.694 -2.934 1280 HA THR 56 HA THR 56 -16.175 22.250 -1.654 1281 HB THR 56 HB THR 56 -16.165 23.179 -3.831 1282 HG1 THR 56 1HG THR 56 -16.917 22.179 -5.571 1283 1HG2 THR 56 1HG2 THR 56 -14.080 22.576 -4.233 1284 2HG2 THR 56 2HG2 THR 56 -14.643 21.057 -4.930 1285 3HG2 THR 56 3HG2 THR 56 -14.289 21.159 -3.206 1286 H ALA 57 H ALA 57 -18.346 20.016 -3.296 1287 HA ALA 57 HA ALA 57 -20.633 21.694 -3.251 1288 1HB ALA 57 1HB ALA 57 -20.707 18.688 -3.235 1289 2HB ALA 57 2HB ALA 57 -20.252 19.608 -4.669 1290 3HB ALA 57 3HB ALA 57 -21.855 19.812 -3.963 1291 H LEU 58 H LEU 58 -19.188 19.459 -0.985 1292 HA LEU 58 HA LEU 58 -21.433 19.567 0.837 1293 1HB LEU 58 2HB LEU 58 -18.976 17.999 0.522 1294 2HB LEU 58 1HB LEU 58 -19.369 18.363 2.186 1295 HG LEU 58 HG LEU 58 -21.462 17.213 0.393 1296 1HD1 LEU 58 1HD1 LEU 58 -19.064 15.843 1.478 1297 2HD1 LEU 58 2HD1 LEU 58 -19.968 15.541 -0.005 1298 3HD1 LEU 58 3HD1 LEU 58 -20.608 14.993 1.544 1299 1HD2 LEU 58 1HD2 LEU 58 -20.925 17.362 3.332 1300 2HD2 LEU 58 2HD2 LEU 58 -22.007 16.136 2.673 1301 3HD2 LEU 58 3HD2 LEU 58 -22.364 17.846 2.435 1302 H ASN 59 H ASN 59 -18.351 21.113 0.370 1303 HA ASN 59 HA ASN 59 -17.130 22.607 1.583 1304 1HB ASN 59 2HB ASN 59 -18.455 24.543 2.400 1305 2HB ASN 59 1HB ASN 59 -18.867 24.062 0.759 1306 1HD2 ASN 59 1HD2 ASN 59 -19.980 24.524 3.944 1307 2HD2 ASN 59 2HD2 ASN 59 -21.622 24.052 3.685 1308 H LYS 60 H LYS 60 -16.402 20.985 3.105 1309 HA LYS 60 HA LYS 60 -16.630 21.830 5.770 1310 1HB LYS 60 2HB LYS 60 -18.875 20.618 5.343 1311 2HB LYS 60 1HB LYS 60 -17.921 19.143 5.393 1312 1HG LYS 60 2HG LYS 60 -18.160 19.139 7.593 1313 2HG LYS 60 1HG LYS 60 -17.146 20.581 7.654 1314 1HD LYS 60 2HD LYS 60 -19.088 21.194 8.806 1315 2HD LYS 60 1HD LYS 60 -19.305 21.887 7.197 1316 1HE LYS 60 2HE LYS 60 -21.360 20.908 7.563 1317 2HE LYS 60 1HE LYS 60 -20.509 19.634 6.689 1318 1HZ LYS 60 1HZ LYS 60 -20.658 19.768 9.649 1319 2HZ LYS 60 2HZ LYS 60 -20.099 18.481 8.706 1320 3HZ LYS 60 3HZ LYS 60 -21.741 18.881 8.698 1321 HA PRO 61 HA PRO 61 -15.479 21.848 7.387 1322 1HB PRO 61 2HB PRO 61 -12.674 22.266 7.835 1323 2HB PRO 61 1HB PRO 61 -13.867 21.593 8.940 1324 1HG PRO 61 2HG PRO 61 -11.799 20.159 7.832 1325 2HG PRO 61 1HG PRO 61 -13.305 19.446 8.433 1326 1HD PRO 61 2HD PRO 61 -12.488 20.077 5.626 1327 2HD PRO 61 1HD PRO 61 -13.397 18.684 6.253 1328 H PHE 62 H PHE 62 -12.300 22.419 5.895 1329 HA PHE 62 HA PHE 62 -13.433 24.566 4.276 1330 1HB PHE 62 2HB PHE 62 -11.896 24.986 6.690 1331 2HB PHE 62 1HB PHE 62 -11.061 25.672 5.301 1332 HD1 PHE 62 1HD PHE 62 -14.199 25.730 7.235 1333 HD2 PHE 62 2HD PHE 62 -11.850 27.628 4.237 1334 HE1 PHE 62 1HE PHE 62 -15.685 27.689 7.317 1335 HE2 PHE 62 2HE PHE 62 -13.330 29.592 4.315 1336 HZ PHE 62 HZ PHE 62 -15.251 29.624 5.857 1337 H LYS 63 H LYS 63 -10.082 23.809 5.178 1338 HA LYS 63 HA LYS 63 -9.434 23.538 2.346 1339 1HB LYS 63 2HB LYS 63 -8.131 24.814 4.356 1340 2HB LYS 63 1HB LYS 63 -7.282 23.273 4.351 1341 1HG LYS 63 2HG LYS 63 -7.221 23.752 1.741 1342 2HG LYS 63 1HG LYS 63 -7.341 25.419 2.311 1343 1HD LYS 63 2HD LYS 63 -5.407 24.921 3.843 1344 2HD LYS 63 1HD LYS 63 -5.228 23.383 2.998 1345 1HE LYS 63 2HE LYS 63 -5.401 25.720 1.237 1346 2HE LYS 63 1HE LYS 63 -3.994 25.712 2.299 1347 1HZ LYS 63 1HZ LYS 63 -4.722 23.340 0.694 1348 2HZ LYS 63 2HZ LYS 63 -3.231 23.722 1.394 1349 3HZ LYS 63 3HZ LYS 63 -3.777 24.585 0.045 1350 H TYR 64 H TYR 64 -9.196 21.620 1.392 1351 HA TYR 64 HA TYR 64 -8.350 19.344 3.021 1352 1HB TYR 64 2HB TYR 64 -10.095 18.020 1.508 1353 2HB TYR 64 1HB TYR 64 -10.556 18.732 3.050 1354 HD1 TYR 64 1HD TYR 64 -10.704 19.173 -0.615 1355 HD2 TYR 64 2HD TYR 64 -12.136 20.505 3.162 1356 HE1 TYR 64 1HE TYR 64 -12.452 20.482 -1.746 1357 HE2 TYR 64 2HE TYR 64 -13.888 21.816 2.044 1358 HH TYR 64 HH TYR 64 -15.064 21.928 -0.033 1359 H VAL 65 H VAL 65 -7.028 17.921 2.016 1360 HA VAL 65 HA VAL 65 -6.368 18.520 -0.789 1361 HB VAL 65 HB VAL 65 -4.446 16.803 0.590 1362 1HG1 VAL 65 1HG1 VAL 65 -4.278 19.275 -1.087 1363 2HG1 VAL 65 2HG1 VAL 65 -3.900 17.613 -1.542 1364 3HG1 VAL 65 3HG1 VAL 65 -2.862 18.473 -0.405 1365 1HG2 VAL 65 1HG2 VAL 65 -4.395 19.646 1.468 1366 2HG2 VAL 65 2HG2 VAL 65 -3.443 18.281 2.052 1367 3HG2 VAL 65 3HG2 VAL 65 -5.161 18.382 2.426 1368 H VAL 66 H VAL 66 -6.013 16.743 -2.221 1369 HA VAL 66 HA VAL 66 -6.991 14.164 -1.212 1370 HB VAL 66 HB VAL 66 -7.814 15.089 -3.943 1371 1HG1 VAL 66 1HG1 VAL 66 -7.910 12.676 -2.936 1372 2HG1 VAL 66 2HG1 VAL 66 -9.250 13.297 -3.896 1373 3HG1 VAL 66 3HG1 VAL 66 -9.356 13.289 -2.137 1374 1HG2 VAL 66 1HG2 VAL 66 -8.665 16.808 -2.447 1375 2HG2 VAL 66 2HG2 VAL 66 -9.334 15.576 -1.377 1376 3HG2 VAL 66 3HG2 VAL 66 -9.989 15.783 -3.003 1377 H THR 67 H THR 67 -5.229 12.906 -1.374 1378 HA THR 67 HA THR 67 -3.943 12.806 -4.032 1379 HB THR 67 HB THR 67 -2.361 13.898 -2.610 1380 HG1 THR 67 1HG THR 67 -1.612 12.144 -3.987 1381 1HG2 THR 67 1HG2 THR 67 -1.613 13.137 -0.540 1382 2HG2 THR 67 2HG2 THR 67 -2.384 11.563 -0.747 1383 3HG2 THR 67 3HG2 THR 67 -3.370 12.999 -0.470 1384 H CYS 68 H CYS 68 -3.370 10.870 -4.853 1385 HA CYS 68 HA CYS 68 -3.937 8.465 -3.271 1386 1HB CYS 68 2HB CYS 68 -5.903 9.086 -4.741 1387 2HB CYS 68 1HB CYS 68 -4.855 8.819 -6.127 1388 HG CYS 68 HG CYS 68 -5.705 6.540 -4.183 1389 H ILE 69 H ILE 69 -2.874 6.563 -4.038 1390 HA ILE 69 HA ILE 69 -0.757 6.985 -6.025 1391 HB ILE 69 HB ILE 69 -0.358 5.764 -3.287 1392 1HG1 ILE 69 2HG1 ILE 69 1.389 7.944 -4.208 1393 2HG1 ILE 69 1HG1 ILE 69 -0.289 8.402 -3.946 1394 1HG2 ILE 69 1HG2 ILE 69 1.627 6.016 -5.538 1395 2HG2 ILE 69 2HG2 ILE 69 0.887 4.516 -4.976 1396 3HG2 ILE 69 3HG2 ILE 69 1.968 5.417 -3.913 1397 1HD1 ILE 69 1HD1 ILE 69 1.322 6.935 -1.887 1398 2HD1 ILE 69 2HD1 ILE 69 -0.205 7.792 -1.677 1399 3HD1 ILE 69 3HD1 ILE 69 1.276 8.695 -1.998 1400 H ILE 70 H ILE 70 -0.843 5.440 -7.531 1401 HA ILE 70 HA ILE 70 -2.462 3.078 -7.068 1402 HB ILE 70 HB ILE 70 -2.123 2.609 -9.457 1403 1HG1 ILE 70 2HG1 ILE 70 -0.867 5.227 -9.989 1404 2HG1 ILE 70 1HG1 ILE 70 0.187 4.039 -9.228 1405 1HG2 ILE 70 1HG2 ILE 70 -2.996 5.404 -8.756 1406 2HG2 ILE 70 2HG2 ILE 70 -4.001 3.959 -8.868 1407 3HG2 ILE 70 3HG2 ILE 70 -3.278 4.647 -10.323 1408 1HD1 ILE 70 1HD1 ILE 70 -1.006 2.587 -11.216 1409 2HD1 ILE 70 2HD1 ILE 70 0.588 3.336 -11.299 1410 3HD1 ILE 70 3HD1 ILE 70 -0.817 4.178 -11.953 1411 H MET 71 H MET 71 -1.768 0.958 -7.216 1412 HA MET 71 HA MET 71 1.149 0.547 -7.158 1413 1HB MET 71 2HB MET 71 -0.876 -0.148 -5.192 1414 2HB MET 71 1HB MET 71 0.020 -1.566 -5.718 1415 1HG MET 71 2HG MET 71 1.309 0.969 -4.737 1416 2HG MET 71 1HG MET 71 0.946 -0.418 -3.712 1417 1HE MET 71 1HE MET 71 3.168 -1.873 -3.079 1418 2HE MET 71 2HE MET 71 3.525 -2.976 -4.408 1419 3HE MET 71 3HE MET 71 1.852 -2.674 -3.937 1420 H GLN 72 H GLN 72 1.748 -0.507 -8.918 1421 HA GLN 72 HA GLN 72 0.070 -1.846 -10.689 1422 1HB GLN 72 2HB GLN 72 2.549 -0.992 -10.910 1423 2HB GLN 72 1HB GLN 72 2.942 -2.645 -10.457 1424 1HG GLN 72 2HG GLN 72 1.312 -3.291 -12.362 1425 2HG GLN 72 1HG GLN 72 1.567 -1.633 -12.905 1426 1HE2 GLN 72 1HE2 GLN 72 2.283 -3.672 -14.527 1427 2HE2 GLN 72 2HE2 GLN 72 4.004 -3.792 -14.622 1428 H LYS 73 H LYS 73 -1.227 -3.405 -9.860 1429 HA LYS 73 HA LYS 73 -1.898 -5.410 -9.049 1430 1HB LYS 73 2HB LYS 73 -0.654 -6.284 -10.920 1431 2HB LYS 73 1HB LYS 73 0.855 -6.184 -10.028 1432 1HG LYS 73 2HG LYS 73 0.458 -8.090 -8.870 1433 2HG LYS 73 1HG LYS 73 -1.289 -7.837 -8.838 1434 1HD LYS 73 2HD LYS 73 -1.138 -9.617 -10.284 1435 2HD LYS 73 1HD LYS 73 -1.085 -8.266 -11.418 1436 1HE LYS 73 2HE LYS 73 1.166 -8.529 -11.835 1437 2HE LYS 73 1HE LYS 73 1.465 -9.326 -10.291 1438 1HZ LYS 73 1HZ LYS 73 1.568 -10.795 -12.291 1439 2HZ LYS 73 2HZ LYS 73 -0.097 -10.571 -12.482 1440 3HZ LYS 73 3HZ LYS 73 0.502 -11.318 -11.087 1441 H ASN 74 H ASN 74 1.473 -6.066 -8.157 1442 HA ASN 74 HA ASN 74 1.481 -5.147 -5.546 1443 1HB ASN 74 2HB ASN 74 1.080 -7.350 -4.332 1444 2HB ASN 74 1HB ASN 74 -0.354 -6.543 -4.961 1445 1HD2 ASN 74 1HD2 ASN 74 -1.668 -7.648 -6.242 1446 2HD2 ASN 74 2HD2 ASN 74 -1.321 -9.189 -6.944 1447 H GLY 75 H GLY 75 3.303 -5.463 -7.654 1448 1HA GLY 75 2HA GLY 75 5.305 -7.168 -6.328 1449 2HA GLY 75 1HA GLY 75 5.065 -7.293 -8.063 1450 H ALA 76 H ALA 76 5.079 -4.377 -6.052 1451 HA ALA 76 HA ALA 76 7.605 -3.565 -7.303 1452 1HB ALA 76 1HB ALA 76 6.462 -1.207 -7.415 1453 2HB ALA 76 2HB ALA 76 4.982 -2.164 -7.484 1454 3HB ALA 76 3HB ALA 76 6.231 -2.381 -8.709 1455 H GLY 77 H GLY 77 9.007 -2.946 -5.800 1456 1HA GLY 77 2HA GLY 77 8.239 -2.594 -3.077 1457 2HA GLY 77 1HA GLY 77 9.847 -2.346 -3.741 1458 H LEU 78 H LEU 78 7.117 -0.857 -2.449 1459 HA LEU 78 HA LEU 78 8.189 1.781 -3.184 1460 1HB LEU 78 2HB LEU 78 6.056 1.111 -4.421 1461 2HB LEU 78 1HB LEU 78 5.246 1.240 -2.871 1462 HG LEU 78 HG LEU 78 5.005 3.254 -4.313 1463 1HD1 LEU 78 1HD1 LEU 78 5.002 4.682 -2.536 1464 2HD1 LEU 78 2HD1 LEU 78 6.570 4.134 -1.946 1465 3HD1 LEU 78 3HD1 LEU 78 5.134 3.145 -1.681 1466 1HD2 LEU 78 1HD2 LEU 78 7.292 3.125 -5.288 1467 2HD2 LEU 78 2HD2 LEU 78 7.933 3.683 -3.743 1468 3HD2 LEU 78 3HD2 LEU 78 6.860 4.723 -4.680 1469 H HIS 79 H HIS 79 8.695 2.965 -1.476 1470 HA HIS 79 HA HIS 79 7.192 2.601 1.019 1471 1HB HIS 79 2HB HIS 79 10.104 2.229 0.578 1472 2HB HIS 79 1HB HIS 79 9.636 3.098 2.035 1473 HD1 HIS 79 1HD HIS 79 10.602 -0.098 1.229 1474 HD2 HIS 79 2HD HIS 79 7.249 1.370 3.196 1475 HE1 HIS 79 1HE HIS 79 9.725 -2.022 2.589 1476 HE2 HIS 79 2HE HIS 79 7.747 -1.086 3.838 1477 H THR 80 H THR 80 6.273 4.490 1.436 1478 HA THR 80 HA THR 80 7.587 6.958 0.582 1479 HB THR 80 HB THR 80 4.805 6.613 1.708 1480 HG1 THR 80 1HG THR 80 4.375 5.742 -0.136 1481 1HG2 THR 80 1HG2 THR 80 4.924 8.846 1.748 1482 2HG2 THR 80 2HG2 THR 80 4.673 8.698 0.009 1483 3HG2 THR 80 3HG2 THR 80 6.303 8.900 0.650 1484 H ALA 81 H ALA 81 7.798 8.762 1.997 1485 HA ALA 81 HA ALA 81 7.646 8.160 4.869 1486 1HB ALA 81 1HB ALA 81 10.044 9.559 3.721 1487 2HB ALA 81 2HB ALA 81 9.992 7.805 3.899 1488 3HB ALA 81 3HB ALA 81 9.844 8.841 5.319 1489 H ALA 82 H ALA 82 7.134 9.928 6.155 1490 HA ALA 82 HA ALA 82 7.197 12.587 5.055 1491 1HB ALA 82 1HB ALA 82 4.711 12.896 5.393 1492 2HB ALA 82 2HB ALA 82 4.606 11.136 5.387 1493 3HB ALA 82 3HB ALA 82 5.224 11.988 3.971 1494 H SER 83 H SER 83 7.479 14.035 6.563 1495 HA SER 83 HA SER 83 6.685 13.401 9.326 1496 1HB SER 83 2HB SER 83 9.179 13.305 8.925 1497 2HB SER 83 1HB SER 83 9.115 15.023 8.529 1498 HG SER 83 HG SER 83 8.544 13.767 10.998 1499 H CYS 84 H CYS 84 5.138 14.750 9.969 1500 HA CYS 84 HA CYS 84 4.868 17.329 8.628 1501 1HB CYS 84 2HB CYS 84 2.913 16.087 10.524 1502 2HB CYS 84 1HB CYS 84 2.614 17.367 9.361 1503 HG CYS 84 HG CYS 84 1.676 15.127 8.416 1504 H TRP 85 H TRP 85 4.668 19.268 9.703 1505 HA TRP 85 HA TRP 85 6.196 19.493 12.117 1506 1HB TRP 85 2HB TRP 85 5.754 21.153 10.028 1507 2HB TRP 85 1HB TRP 85 4.605 21.814 11.183 1508 HD1 TRP 85 HD TRP 85 8.242 20.551 11.697 1509 HE1 TRP 85 1HE TRP 85 9.550 22.407 12.901 1510 HE3 TRP 85 3HE TRP 85 4.575 24.103 11.946 1511 HZ2 TRP 85 2HZ TRP 85 9.095 25.033 13.836 1512 HZ3 TRP 85 3HZ TRP 85 5.093 26.260 13.012 1513 HH2 TRP 85 HH TRP 85 7.306 26.713 13.937 1514 H TRP 86 H TRP 86 4.820 21.620 13.418 1515 HA TRP 86 HA TRP 86 2.888 20.071 14.916 1516 1HB TRP 86 2HB TRP 86 4.143 22.781 15.340 1517 2HB TRP 86 1HB TRP 86 2.878 22.147 16.388 1518 HD1 TRP 86 HD TRP 86 6.453 22.440 16.355 1519 HE1 TRP 86 1HE TRP 86 7.589 20.660 17.826 1520 HE3 TRP 86 3HE TRP 86 2.520 19.223 16.920 1521 HZ2 TRP 86 2HZ TRP 86 6.908 18.214 19.062 1522 HZ3 TRP 86 3HZ TRP 86 2.845 17.186 18.261 1523 HH2 TRP 86 HH TRP 86 4.995 16.693 19.308 1524 H ASP 87 H ASP 87 0.969 21.459 15.791 1525 HA ASP 87 HA ASP 87 -0.923 22.707 15.457 1526 1HB ASP 87 2HB ASP 87 0.695 24.034 13.738 1527 2HB ASP 87 1HB ASP 87 -0.456 23.340 12.601 1528 H SER 88 H SER 88 -2.247 20.999 15.609 1529 HA SER 88 HA SER 88 -2.631 19.161 13.425 1530 1HB SER 88 2HB SER 88 -2.742 18.206 15.602 1531 2HB SER 88 1HB SER 88 -3.897 19.419 16.152 1532 HG SER 88 HG SER 88 -4.590 17.147 15.384 1533 H THR 89 H THR 89 -3.689 22.237 13.770 1534 HA THR 89 HA THR 89 -6.452 22.139 13.401 1535 HB THR 89 HB THR 89 -5.222 24.213 13.874 1536 HG1 THR 89 1HG THR 89 -6.928 25.061 13.033 1537 1HG2 THR 89 1HG2 THR 89 -3.775 25.271 12.472 1538 2HG2 THR 89 2HG2 THR 89 -4.441 24.509 11.027 1539 3HG2 THR 89 3HG2 THR 89 -3.389 23.590 12.104 1540 H THR 90 H THR 90 -3.822 21.598 11.172 1541 HA THR 90 HA THR 90 -5.760 21.066 9.036 1542 HB THR 90 HB THR 90 -4.157 21.783 7.424 1543 HG1 THR 90 1HG THR 90 -2.320 21.671 9.560 1544 1HG2 THR 90 1HG2 THR 90 -3.334 23.872 9.273 1545 2HG2 THR 90 2HG2 THR 90 -5.074 23.582 9.253 1546 3HG2 THR 90 3HG2 THR 90 -4.229 23.977 7.757 1547 H ASP 91 H ASP 91 -5.626 19.026 10.574 1548 HA ASP 91 HA ASP 91 -3.730 17.199 9.289 1549 1HB ASP 91 2HB ASP 91 -3.209 17.993 11.761 1550 2HB ASP 91 1HB ASP 91 -4.386 16.746 12.160 1551 H GLY 92 H GLY 92 -5.294 16.321 7.980 1552 1HA GLY 92 2HA GLY 92 -7.244 14.615 9.385 1553 2HA GLY 92 1HA GLY 92 -7.746 15.579 8.008 1554 H SER 93 H SER 93 -4.582 14.524 7.552 1555 HA SER 93 HA SER 93 -5.022 13.070 5.290 1556 1HB SER 93 2HB SER 93 -2.774 12.519 5.346 1557 2HB SER 93 1HB SER 93 -2.819 13.889 6.453 1558 HG SER 93 HG SER 93 -2.745 12.487 8.175 1559 H ARG 94 H ARG 94 -6.367 11.419 5.051 1560 HA ARG 94 HA ARG 94 -6.024 9.072 6.786 1561 1HB ARG 94 2HB ARG 94 -8.624 10.297 5.850 1562 2HB ARG 94 1HB ARG 94 -8.506 8.665 6.494 1563 1HG ARG 94 2HG ARG 94 -7.658 11.125 8.001 1564 2HG ARG 94 1HG ARG 94 -9.253 10.382 8.133 1565 1HD ARG 94 2HD ARG 94 -8.480 8.621 9.327 1566 2HD ARG 94 1HD ARG 94 -6.933 8.588 8.486 1567 HE ARG 94 HE ARG 94 -7.278 10.852 10.232 1568 1HH1 ARG 94 1HH1 ARG 94 -6.198 7.530 10.016 1569 2HH1 ARG 94 2HH1 ARG 94 -5.161 7.652 11.397 1570 1HH2 ARG 94 1HH2 ARG 94 -5.912 11.002 12.044 1571 2HH2 ARG 94 2HH2 ARG 94 -4.999 9.620 12.547 1572 H THR 95 H THR 95 -5.135 7.574 5.510 1573 HA THR 95 HA THR 95 -5.748 7.559 2.677 1574 HB THR 95 HB THR 95 -3.404 7.411 3.619 1575 HG1 THR 95 1HG THR 95 -4.105 6.806 1.442 1576 1HG2 THR 95 1HG2 THR 95 -2.604 5.616 4.666 1577 2HG2 THR 95 2HG2 THR 95 -3.592 4.497 3.726 1578 3HG2 THR 95 3HG2 THR 95 -4.289 5.344 5.108 1579 H VAL 96 H VAL 96 -6.478 5.806 1.503 1580 HA VAL 96 HA VAL 96 -7.643 3.573 3.018 1581 HB VAL 96 HB VAL 96 -9.111 4.973 0.782 1582 1HG1 VAL 96 1HG1 VAL 96 -10.998 3.651 2.111 1583 2HG1 VAL 96 2HG1 VAL 96 -9.624 2.617 2.503 1584 3HG1 VAL 96 3HG1 VAL 96 -10.055 2.909 0.818 1585 1HG2 VAL 96 1HG2 VAL 96 -9.759 5.173 3.715 1586 2HG2 VAL 96 2HG2 VAL 96 -10.487 6.061 2.377 1587 3HG2 VAL 96 3HG2 VAL 96 -8.820 6.389 2.850 1588 H ARG 97 H ARG 97 -7.139 1.654 2.146 1589 HA ARG 97 HA ARG 97 -5.810 1.619 -0.447 1590 1HB ARG 97 2HB ARG 97 -5.254 0.348 1.900 1591 2HB ARG 97 1HB ARG 97 -6.096 -0.919 1.019 1592 1HG ARG 97 2HG ARG 97 -4.001 -1.350 0.294 1593 2HG ARG 97 1HG ARG 97 -4.434 -0.130 -0.905 1594 1HD ARG 97 2HD ARG 97 -2.265 0.406 -0.056 1595 2HD ARG 97 1HD ARG 97 -3.407 1.591 0.578 1596 HE ARG 97 HE ARG 97 -2.930 0.857 2.683 1597 1HH1 ARG 97 1HH1 ARG 97 -1.888 -1.596 0.417 1598 2HH1 ARG 97 2HH1 ARG 97 -1.123 -2.563 1.632 1599 1HH2 ARG 97 1HH2 ARG 97 -1.923 -0.419 4.272 1600 2HH2 ARG 97 2HH2 ARG 97 -1.142 -1.897 3.817 1601 H TRP 98 H TRP 98 -7.004 1.334 -2.201 1602 HA TRP 98 HA TRP 98 -9.476 -0.241 -2.041 1603 1HB TRP 98 2HB TRP 98 -8.557 2.022 -3.639 1604 2HB TRP 98 1HB TRP 98 -9.247 0.760 -4.644 1605 HD1 TRP 98 HD TRP 98 -10.361 3.807 -3.571 1606 HE1 TRP 98 1HE TRP 98 -12.851 3.874 -2.943 1607 HE3 TRP 98 3HE TRP 98 -11.216 -1.198 -2.915 1608 HZ2 TRP 98 2HZ TRP 98 -14.882 2.119 -2.232 1609 HZ3 TRP 98 3HZ TRP 98 -13.476 -1.919 -2.260 1610 HH2 TRP 98 HH TRP 98 -15.274 -0.299 -1.928 1611 H GLU 99 H GLU 99 -9.563 -2.247 -2.784 1612 HA GLU 99 HA GLU 99 -7.598 -3.146 -4.777 1613 1HB GLU 99 2HB GLU 99 -8.677 -5.069 -2.760 1614 2HB GLU 99 1HB GLU 99 -7.165 -5.127 -3.650 1615 1HG GLU 99 2HG GLU 99 -7.828 -3.448 -1.248 1616 2HG GLU 99 1HG GLU 99 -6.636 -4.740 -1.374 1617 H ASN 100 H ASN 100 -8.455 -4.189 -6.503 1618 HA ASN 100 HA ASN 100 -11.293 -4.972 -6.325 1619 1HB ASN 100 2HB ASN 100 -11.160 -4.443 -8.935 1620 2HB ASN 100 1HB ASN 100 -11.562 -3.209 -7.749 1621 1HD2 ASN 100 1HD2 ASN 100 -9.777 -3.809 -10.402 1622 2HD2 ASN 100 2HD2 ASN 100 -8.512 -2.652 -10.187 1623 H LYS 101 H LYS 101 -9.080 -5.405 -9.062 1624 HA LYS 101 HA LYS 101 -9.616 -8.276 -8.919 1625 1HB LYS 101 2HB LYS 101 -10.132 -7.206 -11.035 1626 2HB LYS 101 1HB LYS 101 -8.504 -6.553 -11.141 1627 1HG LYS 101 2HG LYS 101 -8.498 -9.438 -10.852 1628 2HG LYS 101 1HG LYS 101 -9.424 -8.912 -12.258 1629 1HD LYS 101 2HD LYS 101 -6.694 -7.799 -11.710 1630 2HD LYS 101 1HD LYS 101 -6.890 -9.350 -12.528 1631 1HE LYS 101 2HE LYS 101 -8.517 -8.049 -14.068 1632 2HE LYS 101 1HE LYS 101 -7.714 -6.615 -13.428 1633 1HZ LYS 101 1HZ LYS 101 -6.143 -8.847 -14.549 1634 2HZ LYS 101 2HZ LYS 101 -5.704 -7.224 -14.371 1635 3HZ LYS 101 3HZ LYS 101 -6.814 -7.672 -15.564 1636 H SER 102 H SER 102 -6.881 -6.062 -9.440 1637 HA SER 102 HA SER 102 -5.152 -7.812 -7.918 1638 1HB SER 102 2HB SER 102 -5.170 -8.598 -10.378 1639 2HB SER 102 1HB SER 102 -4.261 -7.124 -10.710 1640 HG SER 102 HG SER 102 -3.405 -9.450 -9.654 1641 H MET 103 H MET 103 -5.350 -4.961 -10.019 1642 HA MET 103 HA MET 103 -3.053 -3.678 -8.976 1643 1HB MET 103 2HB MET 103 -4.616 -3.240 -11.125 1644 2HB MET 103 1HB MET 103 -5.257 -2.009 -10.047 1645 1HG MET 103 2HG MET 103 -3.623 -0.724 -10.837 1646 2HG MET 103 1HG MET 103 -2.570 -1.649 -9.770 1647 1HE MET 103 1HE MET 103 -0.497 -0.748 -12.287 1648 2HE MET 103 2HE MET 103 -2.048 0.080 -12.147 1649 3HE MET 103 3HE MET 103 -1.593 -0.691 -13.667 1650 H TYR 104 H TYR 104 -2.777 -2.313 -7.296 1651 HA TYR 104 HA TYR 104 -5.034 -2.005 -5.442 1652 1HB TYR 104 2HB TYR 104 -2.038 -1.767 -5.125 1653 2HB TYR 104 1HB TYR 104 -3.149 -1.189 -3.888 1654 HD1 TYR 104 1HD TYR 104 -3.041 -4.281 -5.993 1655 HD2 TYR 104 2HD TYR 104 -3.143 -2.616 -2.082 1656 HE1 TYR 104 1HE TYR 104 -3.146 -6.544 -5.041 1657 HE2 TYR 104 2HE TYR 104 -3.247 -4.875 -1.116 1658 HH TYR 104 HH TYR 104 -2.569 -7.655 -2.867 1659 H CYS 105 H CYS 105 -5.407 0.068 -4.421 1660 HA CYS 105 HA CYS 105 -4.248 2.406 -5.709 1661 1HB CYS 105 2HB CYS 105 -7.207 1.789 -5.779 1662 2HB CYS 105 1HB CYS 105 -6.525 3.372 -6.134 1663 HG CYS 105 HG CYS 105 -6.163 0.865 -7.931 1664 H ILE 106 H ILE 106 -3.438 3.252 -3.869 1665 HA ILE 106 HA ILE 106 -5.110 3.383 -1.482 1666 HB ILE 106 HB ILE 106 -2.887 2.710 -1.010 1667 1HG1 ILE 106 2HG1 ILE 106 -2.494 5.557 -0.273 1668 2HG1 ILE 106 1HG1 ILE 106 -3.979 4.795 0.291 1669 1HG2 ILE 106 1HG2 ILE 106 -1.583 3.245 -2.823 1670 2HG2 ILE 106 2HG2 ILE 106 -0.972 4.358 -1.600 1671 3HG2 ILE 106 3HG2 ILE 106 -2.096 4.931 -2.830 1672 1HD1 ILE 106 1HD1 ILE 106 -1.409 3.374 0.700 1673 2HD1 ILE 106 2HD1 ILE 106 -2.878 3.365 1.677 1674 3HD1 ILE 106 3HD1 ILE 106 -1.794 4.757 1.725 1675 H CYS 107 H CYS 107 -6.499 5.013 -1.353 1676 HA CYS 107 HA CYS 107 -5.712 7.637 -2.435 1677 1HB CYS 107 2HB CYS 107 -8.154 8.108 -2.547 1678 2HB CYS 107 1HB CYS 107 -7.664 6.757 -3.562 1679 HG CYS 107 HG CYS 107 -9.118 5.252 -2.280 1680 H THR 108 H THR 108 -5.191 9.102 -0.961 1681 HA THR 108 HA THR 108 -6.419 8.895 1.697 1682 HB THR 108 HB THR 108 -3.789 8.767 1.225 1683 HG1 THR 108 1HG THR 108 -3.532 9.408 3.380 1684 1HG2 THR 108 1HG2 THR 108 -4.049 11.323 0.435 1685 2HG2 THR 108 2HG2 THR 108 -2.594 10.680 1.196 1686 3HG2 THR 108 3HG2 THR 108 -3.781 11.559 2.160 1687 H VAL 109 H VAL 109 -7.421 10.581 2.621 1688 HA VAL 109 HA VAL 109 -7.665 13.023 0.988 1689 HB VAL 109 HB VAL 109 -9.786 12.634 2.992 1690 1HG1 VAL 109 1HG1 VAL 109 -11.113 13.143 0.799 1691 2HG1 VAL 109 2HG1 VAL 109 -9.518 13.560 0.171 1692 3HG1 VAL 109 3HG1 VAL 109 -10.159 14.404 1.582 1693 1HG2 VAL 109 1HG2 VAL 109 -11.069 11.004 1.717 1694 2HG2 VAL 109 2HG2 VAL 109 -9.560 10.304 2.303 1695 3HG2 VAL 109 3HG2 VAL 109 -9.711 10.784 0.613 1696 H PHE 110 H PHE 110 -6.861 14.773 1.876 1697 HA PHE 110 HA PHE 110 -6.092 14.715 4.685 1698 1HB PHE 110 2HB PHE 110 -5.330 16.363 2.306 1699 2HB PHE 110 1HB PHE 110 -4.982 16.952 3.917 1700 HD1 PHE 110 1HD PHE 110 -3.149 16.131 5.148 1701 HD2 PHE 110 2HD PHE 110 -4.318 14.224 1.528 1702 HE1 PHE 110 1HE PHE 110 -1.055 14.840 5.157 1703 HE2 PHE 110 2HE PHE 110 -2.228 12.926 1.534 1704 HZ PHE 110 HZ PHE 110 -0.593 13.233 3.348 1705 H GLY 111 H GLY 111 -7.866 15.227 5.886 1706 1HA GLY 111 2HA GLY 111 -9.575 17.468 5.129 1707 2HA GLY 111 1HA GLY 111 -9.801 16.405 6.517 1708 H LEU 112 H LEU 112 -8.292 19.303 5.333 1709 HA LEU 112 HA LEU 112 -6.997 19.730 7.920 1710 1HB LEU 112 2HB LEU 112 -6.686 21.000 5.216 1711 2HB LEU 112 1HB LEU 112 -5.978 21.708 6.652 1712 HG LEU 112 HG LEU 112 -4.461 19.932 6.925 1713 1HD1 LEU 112 1HD1 LEU 112 -6.091 18.344 4.970 1714 2HD1 LEU 112 2HD1 LEU 112 -5.941 18.050 6.702 1715 3HD1 LEU 112 3HD1 LEU 112 -4.544 17.840 5.647 1716 1HD2 LEU 112 1HD2 LEU 112 -3.751 21.288 5.123 1717 2HD2 LEU 112 2HD2 LEU 112 -4.811 20.437 3.998 1718 3HD2 LEU 112 3HD2 LEU 112 -3.423 19.607 4.701 1719 H ALA 113 H ALA 113 -7.911 20.894 9.417 1720 HA ALA 113 HA ALA 113 -10.244 22.503 8.834 1721 1HB ALA 113 1HB ALA 113 -9.046 22.537 11.541 1722 2HB ALA 113 2HB ALA 113 -9.639 20.986 10.945 1723 3HB ALA 113 3HB ALA 113 -10.731 22.368 11.045 1724 H ILE 114 H ILE 114 -9.197 24.106 7.506 1725 HA ILE 114 HA ILE 114 -8.403 26.212 7.155 1726 HB ILE 114 HB ILE 114 -8.298 26.547 10.149 1727 1HG1 ILE 114 2HG1 ILE 114 -10.520 25.710 9.452 1728 2HG1 ILE 114 1HG1 ILE 114 -10.591 27.366 10.043 1729 1HG2 ILE 114 1HG2 ILE 114 -8.139 28.348 7.802 1730 2HG2 ILE 114 2HG2 ILE 114 -7.326 28.443 9.364 1731 3HG2 ILE 114 3HG2 ILE 114 -9.013 28.935 9.217 1732 1HD1 ILE 114 1HD1 ILE 114 -10.451 26.656 7.127 1733 2HD1 ILE 114 2HD1 ILE 114 -10.817 28.225 7.844 1734 3HD1 ILE 114 3HD1 ILE 114 -11.960 26.892 8.009 Start of MODEL 14 1 1H MET 1 1HT MET 1 33.303 2.349 -12.369 2 HA MET 1 HA MET 1 33.619 0.136 -12.733 3 1HB MET 1 2HB MET 1 33.916 1.146 -9.927 4 2HB MET 1 1HB MET 1 34.404 -0.499 -10.306 5 1HG MET 1 2HG MET 1 35.414 1.573 -12.128 6 2HG MET 1 1HG MET 1 36.024 1.642 -10.476 7 1HE MET 1 1HE MET 1 37.363 -0.319 -13.900 8 2HE MET 1 2HE MET 1 35.670 0.122 -13.678 9 3HE MET 1 3HE MET 1 36.165 -1.565 -13.551 10 H GLU 2 H GLU 2 31.139 0.720 -10.305 11 HA GLU 2 HA GLU 2 30.361 -2.114 -10.449 12 1HB GLU 2 2HB GLU 2 30.868 -0.811 -8.211 13 2HB GLU 2 1HB GLU 2 29.219 -0.236 -8.423 14 1HG GLU 2 2HG GLU 2 28.921 -2.911 -8.816 15 2HG GLU 2 1HG GLU 2 30.210 -2.864 -7.614 16 H GLY 3 H GLY 3 28.991 1.172 -10.408 17 1HA GLY 3 2HA GLY 3 27.413 1.483 -12.385 18 2HA GLY 3 1HA GLY 3 26.578 0.089 -11.715 19 H VAL 4 H VAL 4 28.012 2.879 -10.057 20 HA VAL 4 HA VAL 4 25.418 3.346 -8.771 21 HB VAL 4 HB VAL 4 28.090 4.519 -7.998 22 1HG1 VAL 4 1HG1 VAL 4 27.053 5.139 -5.958 23 2HG1 VAL 4 2HG1 VAL 4 25.606 4.202 -6.327 24 3HG1 VAL 4 3HG1 VAL 4 25.970 5.661 -7.249 25 1HG2 VAL 4 1HG2 VAL 4 27.767 2.762 -6.082 26 2HG2 VAL 4 2HG2 VAL 4 28.500 2.288 -7.615 27 3HG2 VAL 4 3HG2 VAL 4 26.804 1.920 -7.296 28 H ASP 5 H ASP 5 24.220 5.071 -9.263 29 HA ASP 5 HA ASP 5 25.517 7.362 -10.573 30 1HB ASP 5 2HB ASP 5 23.980 5.638 -11.969 31 2HB ASP 5 1HB ASP 5 22.736 6.737 -11.381 32 HA PRO 6 HA PRO 6 23.209 8.993 -6.965 33 1HB PRO 6 2HB PRO 6 24.679 11.267 -6.730 34 2HB PRO 6 1HB PRO 6 25.185 9.719 -6.042 35 1HG PRO 6 2HG PRO 6 26.041 11.028 -8.595 36 2HG PRO 6 1HG PRO 6 27.028 10.197 -7.379 37 1HD PRO 6 2HD PRO 6 26.276 9.009 -9.685 38 2HD PRO 6 1HD PRO 6 26.466 8.104 -8.170 39 H ALA 7 H ALA 7 21.362 10.068 -7.224 40 HA ALA 7 HA ALA 7 19.792 11.561 -7.931 41 1HB ALA 7 1HB ALA 7 20.469 13.694 -8.864 42 2HB ALA 7 2HB ALA 7 22.100 13.087 -9.131 43 3HB ALA 7 3HB ALA 7 21.490 13.279 -7.489 44 H VAL 8 H VAL 8 22.194 11.557 -10.542 45 HA VAL 8 HA VAL 8 22.111 10.988 -12.738 46 HB VAL 8 HB VAL 8 19.518 9.596 -12.785 47 1HG1 VAL 8 1HG1 VAL 8 22.328 9.058 -13.645 48 2HG1 VAL 8 2HG1 VAL 8 20.872 9.246 -14.623 49 3HG1 VAL 8 3HG1 VAL 8 21.111 7.782 -13.669 50 1HG2 VAL 8 1HG2 VAL 8 21.462 8.938 -10.667 51 2HG2 VAL 8 2HG2 VAL 8 20.826 7.586 -11.603 52 3HG2 VAL 8 3HG2 VAL 8 19.724 8.664 -10.749 53 H GLU 9 H GLU 9 18.672 11.183 -11.944 54 HA GLU 9 HA GLU 9 18.413 13.388 -13.872 55 1HB GLU 9 2HB GLU 9 16.983 10.855 -13.562 56 2HB GLU 9 1HB GLU 9 15.919 12.238 -13.695 57 1HG GLU 9 2HG GLU 9 18.099 12.190 -15.646 58 2HG GLU 9 1HG GLU 9 16.952 10.859 -15.784 59 H GLU 10 H GLU 10 18.582 15.032 -12.349 60 HA GLU 10 HA GLU 10 17.114 15.078 -9.917 61 1HB GLU 10 2HB GLU 10 19.224 16.409 -10.544 62 2HB GLU 10 1HB GLU 10 18.128 17.520 -11.354 63 1HG GLU 10 2HG GLU 10 17.037 17.145 -8.816 64 2HG GLU 10 1HG GLU 10 18.775 17.282 -8.560 65 H ALA 11 H ALA 11 15.197 16.050 -9.392 66 HA ALA 11 HA ALA 11 13.539 16.926 -11.663 67 1HB ALA 11 1HB ALA 11 12.432 15.979 -9.043 68 2HB ALA 11 2HB ALA 11 12.907 14.840 -10.302 69 3HB ALA 11 3HB ALA 11 11.652 16.036 -10.623 70 H ALA 12 H ALA 12 11.930 18.590 -11.214 71 HA ALA 12 HA ALA 12 11.322 20.668 -10.520 72 1HB ALA 12 1HB ALA 12 11.526 21.171 -8.110 73 2HB ALA 12 2HB ALA 12 12.492 19.709 -7.913 74 3HB ALA 12 3HB ALA 12 10.808 19.592 -8.424 75 H PHE 13 H PHE 13 12.121 22.793 -10.128 76 HA PHE 13 HA PHE 13 15.018 23.092 -9.893 77 1HB PHE 13 2HB PHE 13 14.204 22.984 -12.360 78 2HB PHE 13 1HB PHE 13 13.579 24.600 -12.055 79 HD1 PHE 13 1HD PHE 13 15.046 26.476 -11.823 80 HD2 PHE 13 2HD PHE 13 16.608 22.549 -12.327 81 HE1 PHE 13 1HE PHE 13 17.268 27.424 -12.290 82 HE2 PHE 13 2HE PHE 13 18.833 23.490 -12.795 83 HZ PHE 13 HZ PHE 13 19.165 25.930 -12.776 84 H VAL 14 H VAL 14 12.662 23.699 -8.202 85 HA VAL 14 HA VAL 14 13.088 26.604 -7.938 86 HB VAL 14 HB VAL 14 10.549 25.156 -7.181 87 1HG1 VAL 14 1HG1 VAL 14 11.421 28.023 -7.172 88 2HG1 VAL 14 2HG1 VAL 14 10.670 27.083 -5.882 89 3HG1 VAL 14 3HG1 VAL 14 9.715 27.591 -7.276 90 1HG2 VAL 14 1HG2 VAL 14 10.730 25.046 -9.568 91 2HG2 VAL 14 2HG2 VAL 14 11.198 26.743 -9.661 92 3HG2 VAL 14 3HG2 VAL 14 9.564 26.306 -9.163 93 H ALA 15 H ALA 15 13.001 27.445 -5.778 94 HA ALA 15 HA ALA 15 13.610 27.469 -3.586 95 1HB ALA 15 1HB ALA 15 12.585 25.863 -2.123 96 2HB ALA 15 2HB ALA 15 12.304 24.755 -3.465 97 3HB ALA 15 3HB ALA 15 11.435 26.288 -3.391 98 H ASP 16 H ASP 16 15.805 27.182 -4.691 99 HA ASP 16 HA ASP 16 17.162 24.723 -4.622 100 1HB ASP 16 2HB ASP 16 17.777 27.057 -5.701 101 2HB ASP 16 1HB ASP 16 18.651 27.277 -4.188 102 H ASP 17 H ASP 17 16.553 27.126 -2.164 103 HA ASP 17 HA ASP 17 18.507 26.481 -0.294 104 1HB ASP 17 2HB ASP 17 16.692 28.354 -0.292 105 2HB ASP 17 1HB ASP 17 15.716 27.167 0.567 106 H VAL 18 H VAL 18 15.205 25.176 -0.560 107 HA VAL 18 HA VAL 18 15.627 23.221 1.501 108 HB VAL 18 HB VAL 18 13.421 23.223 -0.553 109 1HG1 VAL 18 1HG1 VAL 18 14.016 21.339 1.276 110 2HG1 VAL 18 2HG1 VAL 18 12.377 21.685 0.723 111 3HG1 VAL 18 3HG1 VAL 18 12.964 22.382 2.233 112 1HG2 VAL 18 1HG2 VAL 18 13.818 24.916 1.872 113 2HG2 VAL 18 2HG2 VAL 18 12.190 24.405 1.424 114 3HG2 VAL 18 3HG2 VAL 18 13.161 25.348 0.293 115 H SER 19 H SER 19 15.710 23.277 -2.005 116 HA SER 19 HA SER 19 15.699 20.561 -2.553 117 1HB SER 19 2HB SER 19 17.230 22.718 -4.015 118 2HB SER 19 1HB SER 19 16.798 21.137 -4.663 119 HG SER 19 HG SER 19 15.222 22.471 -5.365 120 H ASN 20 H ASN 20 18.478 22.654 -1.811 121 HA ASN 20 HA ASN 20 20.410 20.606 -2.160 122 1HB ASN 20 2HB ASN 20 21.997 22.137 -1.203 123 2HB ASN 20 1HB ASN 20 20.903 23.057 -2.229 124 1HD2 ASN 20 1HD2 ASN 20 19.896 24.756 -1.387 125 2HD2 ASN 20 2HD2 ASN 20 19.874 25.174 0.289 126 H ILE 21 H ILE 21 18.644 21.776 0.654 127 HA ILE 21 HA ILE 21 20.040 20.477 2.679 128 HB ILE 21 HB ILE 21 17.082 21.090 2.478 129 1HG1 ILE 21 2HG1 ILE 21 19.198 22.586 4.016 130 2HG1 ILE 21 1HG1 ILE 21 18.805 22.969 2.343 131 1HG2 ILE 21 1HG2 ILE 21 17.463 19.380 4.182 132 2HG2 ILE 21 2HG2 ILE 21 16.996 20.917 4.908 133 3HG2 ILE 21 3HG2 ILE 21 18.681 20.403 4.940 134 1HD1 ILE 21 1HD1 ILE 21 16.390 22.847 3.836 135 2HD1 ILE 21 2HD1 ILE 21 17.120 24.226 3.015 136 3HD1 ILE 21 3HD1 ILE 21 17.541 23.873 4.691 137 H ILE 22 H ILE 22 17.249 19.258 0.790 138 HA ILE 22 HA ILE 22 17.121 16.779 2.127 139 HB ILE 22 HB ILE 22 16.319 17.087 -0.751 140 1HG1 ILE 22 2HG1 ILE 22 14.116 17.643 1.007 141 2HG1 ILE 22 1HG1 ILE 22 15.421 18.770 1.357 142 1HG2 ILE 22 1HG2 ILE 22 15.766 14.965 -0.277 143 2HG2 ILE 22 2HG2 ILE 22 14.364 15.699 0.501 144 3HG2 ILE 22 3HG2 ILE 22 15.768 15.244 1.461 145 1HD1 ILE 22 1HD1 ILE 22 13.965 18.344 -1.224 146 2HD1 ILE 22 2HD1 ILE 22 15.507 19.193 -1.143 147 3HD1 ILE 22 3HD1 ILE 22 14.111 19.818 -0.267 148 H LYS 23 H LYS 23 18.540 17.590 -1.052 149 HA LYS 23 HA LYS 23 19.576 15.132 -1.741 150 1HB LYS 23 2HB LYS 23 20.780 17.861 -2.176 151 2HB LYS 23 1HB LYS 23 21.247 16.410 -3.044 152 1HG LYS 23 2HG LYS 23 19.097 16.223 -4.041 153 2HG LYS 23 1HG LYS 23 18.472 17.536 -3.041 154 1HD LYS 23 2HD LYS 23 20.742 18.586 -4.303 155 2HD LYS 23 1HD LYS 23 19.905 17.661 -5.539 156 1HE LYS 23 2HE LYS 23 17.826 18.932 -4.427 157 2HE LYS 23 1HE LYS 23 19.100 20.112 -4.138 158 1HZ LYS 23 1HZ LYS 23 19.573 19.566 -6.673 159 2HZ LYS 23 2HZ LYS 23 18.480 20.766 -6.199 160 3HZ LYS 23 3HZ LYS 23 17.913 19.239 -6.654 161 H GLU 24 H GLU 24 21.255 17.729 -0.029 162 HA GLU 24 HA GLU 24 23.640 16.404 0.546 163 1HB GLU 24 2HB GLU 24 22.206 18.760 1.566 164 2HB GLU 24 1HB GLU 24 23.263 18.020 2.751 165 1HG GLU 24 2HG GLU 24 24.419 18.420 0.073 166 2HG GLU 24 1HG GLU 24 24.046 19.883 0.983 167 H SER 25 H SER 25 20.526 16.294 2.123 168 HA SER 25 HA SER 25 21.368 14.907 4.450 169 1HB SER 25 2HB SER 25 18.811 15.751 3.256 170 2HB SER 25 1HB SER 25 18.712 14.269 4.205 171 HG SER 25 HG SER 25 18.721 16.696 5.126 172 H ILE 26 H ILE 26 19.903 13.768 1.361 173 HA ILE 26 HA ILE 26 19.728 11.070 2.103 174 HB ILE 26 HB ILE 26 20.064 12.329 -0.620 175 1HG1 ILE 26 2HG1 ILE 26 17.753 11.347 -0.883 176 2HG1 ILE 26 1HG1 ILE 26 17.808 10.953 0.831 177 1HG2 ILE 26 1HG2 ILE 26 19.221 9.781 -1.175 178 2HG2 ILE 26 2HG2 ILE 26 20.394 9.501 0.113 179 3HG2 ILE 26 3HG2 ILE 26 20.880 10.355 -1.351 180 1HD1 ILE 26 1HD1 ILE 26 18.062 13.721 -0.303 181 2HD1 ILE 26 2HD1 ILE 26 17.963 13.277 1.402 182 3HD1 ILE 26 3HD1 ILE 26 16.578 13.019 0.341 183 H ASP 27 H ASP 27 22.405 12.899 0.686 184 HA ASP 27 HA ASP 27 24.174 10.834 0.185 185 1HB ASP 27 2HB ASP 27 24.476 13.334 -0.261 186 2HB ASP 27 1HB ASP 27 25.011 13.467 1.410 187 H ALA 28 H ALA 28 23.347 12.397 3.198 188 HA ALA 28 HA ALA 28 25.281 10.831 4.718 189 1HB ALA 28 1HB ALA 28 24.982 13.164 5.303 190 2HB ALA 28 2HB ALA 28 24.450 12.142 6.637 191 3HB ALA 28 3HB ALA 28 23.261 12.901 5.580 192 H VAL 29 H VAL 29 21.783 11.145 4.401 193 HA VAL 29 HA VAL 29 21.171 9.220 6.388 194 HB VAL 29 HB VAL 29 19.757 11.086 4.642 195 1HG1 VAL 29 1HG1 VAL 29 18.548 8.413 4.947 196 2HG1 VAL 29 2HG1 VAL 29 18.305 9.651 3.717 197 3HG1 VAL 29 3HG1 VAL 29 17.532 9.811 5.278 198 1HG2 VAL 29 1HG2 VAL 29 19.813 11.703 6.814 199 2HG2 VAL 29 2HG2 VAL 29 19.590 10.057 7.402 200 3HG2 VAL 29 3HG2 VAL 29 18.237 10.943 6.725 201 H LEU 30 H LEU 30 22.368 8.868 3.275 202 HA LEU 30 HA LEU 30 21.302 6.137 3.162 203 1HB LEU 30 2HB LEU 30 21.936 8.027 0.912 204 2HB LEU 30 1HB LEU 30 21.792 6.300 0.668 205 HG LEU 30 HG LEU 30 19.709 7.555 0.110 206 1HD1 LEU 30 1HD1 LEU 30 19.562 5.638 2.404 207 2HD1 LEU 30 2HD1 LEU 30 19.553 5.228 0.691 208 3HD1 LEU 30 3HD1 LEU 30 18.195 6.106 1.400 209 1HD2 LEU 30 1HD2 LEU 30 20.116 9.068 2.248 210 2HD2 LEU 30 2HD2 LEU 30 19.105 7.840 2.996 211 3HD2 LEU 30 3HD2 LEU 30 18.507 8.755 1.615 212 H GLN 31 H GLN 31 24.180 8.194 2.884 213 HA GLN 31 HA GLN 31 25.840 5.879 2.293 214 1HB GLN 31 2HB GLN 31 26.269 8.224 1.393 215 2HB GLN 31 1HB GLN 31 26.825 8.621 3.006 216 1HG GLN 31 2HG GLN 31 28.542 6.968 2.888 217 2HG GLN 31 1HG GLN 31 27.958 6.457 1.313 218 1HE2 GLN 31 1HE2 GLN 31 28.928 9.449 2.946 219 2HE2 GLN 31 2HE2 GLN 31 29.858 10.070 1.629 220 H ASN 32 H ASN 32 24.695 7.541 5.098 221 HA ASN 32 HA ASN 32 26.686 7.284 6.957 222 1HB ASN 32 2HB ASN 32 24.817 6.837 8.626 223 2HB ASN 32 1HB ASN 32 24.660 8.293 7.651 224 1HD2 ASN 32 1HD2 ASN 32 22.820 6.174 8.997 225 2HD2 ASN 32 2HD2 ASN 32 21.607 5.913 7.796 226 H GLN 33 H GLN 33 24.379 4.736 6.029 227 HA GLN 33 HA GLN 33 26.220 2.772 7.235 228 1HB GLN 33 2HB GLN 33 23.743 3.249 8.176 229 2HB GLN 33 1HB GLN 33 23.359 2.049 6.951 230 1HG GLN 33 2HG GLN 33 24.278 0.372 8.117 231 2HG GLN 33 1HG GLN 33 25.624 1.361 8.680 232 1HE2 GLN 33 1HE2 GLN 33 25.649 1.825 10.755 233 2HE2 GLN 33 2HE2 GLN 33 24.291 1.806 11.821 234 H GLN 34 H GLN 34 25.366 0.452 6.342 235 HA GLN 34 HA GLN 34 25.988 0.551 3.529 236 1HB GLN 34 2HB GLN 34 26.636 -1.219 5.427 237 2HB GLN 34 1HB GLN 34 25.177 -1.998 4.828 238 1HG GLN 34 2HG GLN 34 26.103 -2.512 2.821 239 2HG GLN 34 1HG GLN 34 27.166 -1.105 2.825 240 1HE2 GLN 34 1HE2 GLN 34 26.991 -4.407 3.221 241 2HE2 GLN 34 2HE2 GLN 34 28.528 -4.672 3.964 242 H TYR 35 H TYR 35 24.672 -1.258 2.215 243 HA TYR 35 HA TYR 35 22.058 -0.160 1.883 244 1HB TYR 35 2HB TYR 35 23.317 -0.895 -0.042 245 2HB TYR 35 1HB TYR 35 23.456 -2.516 0.616 246 HD1 TYR 35 1HD TYR 35 20.181 -1.094 1.088 247 HD2 TYR 35 2HD TYR 35 22.656 -3.127 -1.715 248 HE1 TYR 35 1HE TYR 35 18.187 -1.768 -0.182 249 HE2 TYR 35 2HE TYR 35 20.666 -3.806 -2.987 250 HH TYR 35 HH TYR 35 18.209 -4.156 -2.514 251 H SER 36 H SER 36 20.449 -0.619 3.339 252 HA SER 36 HA SER 36 20.094 -3.480 4.005 253 1HB SER 36 2HB SER 36 20.283 -1.136 5.820 254 2HB SER 36 1HB SER 36 19.054 -2.342 6.206 255 HG SER 36 HG SER 36 20.660 -3.902 6.303 256 H GLU 37 H GLU 37 18.133 -4.248 3.467 257 HA GLU 37 HA GLU 37 16.174 -2.658 2.233 258 1HB GLU 37 2HB GLU 37 16.365 -5.104 1.904 259 2HB GLU 37 1HB GLU 37 15.783 -5.355 3.546 260 1HG GLU 37 2HG GLU 37 13.707 -5.323 2.799 261 2HG GLU 37 1HG GLU 37 13.929 -3.658 2.278 262 H ALA 38 H ALA 38 16.492 -3.801 5.562 263 HA ALA 38 HA ALA 38 14.000 -2.892 6.513 264 1HB ALA 38 1HB ALA 38 14.828 -3.266 8.650 265 2HB ALA 38 2HB ALA 38 16.473 -2.819 8.198 266 3HB ALA 38 3HB ALA 38 15.801 -4.360 7.666 267 H LYS 39 H LYS 39 16.948 -1.282 5.693 268 HA LYS 39 HA LYS 39 16.146 1.225 6.933 269 1HB LYS 39 2HB LYS 39 18.640 -0.019 6.047 270 2HB LYS 39 1HB LYS 39 18.508 1.666 5.591 271 1HG LYS 39 2HG LYS 39 19.650 1.399 7.707 272 2HG LYS 39 1HG LYS 39 18.142 2.289 7.906 273 1HD LYS 39 2HD LYS 39 17.999 0.822 9.655 274 2HD LYS 39 1HD LYS 39 17.181 -0.101 8.394 275 1HE LYS 39 2HE LYS 39 19.166 -1.381 7.964 276 2HE LYS 39 1HE LYS 39 20.107 -0.370 9.060 277 1HZ LYS 39 1HZ LYS 39 18.504 -1.144 10.838 278 2HZ LYS 39 2HZ LYS 39 19.601 -2.296 10.260 279 3HZ LYS 39 3HZ LYS 39 17.992 -2.325 9.738 280 H VAL 40 H VAL 40 15.995 -0.362 3.897 281 HA VAL 40 HA VAL 40 16.352 1.615 2.041 282 HB VAL 40 HB VAL 40 14.903 -0.928 2.139 283 1HG1 VAL 40 1HG1 VAL 40 12.993 0.302 1.344 284 2HG1 VAL 40 2HG1 VAL 40 13.677 -0.651 0.028 285 3HG1 VAL 40 3HG1 VAL 40 13.975 1.085 0.106 286 1HG2 VAL 40 1HG2 VAL 40 16.104 -1.397 0.186 287 2HG2 VAL 40 2HG2 VAL 40 17.178 -0.422 1.189 288 3HG2 VAL 40 3HG2 VAL 40 16.336 0.314 -0.175 289 H SER 41 H SER 41 13.754 1.320 4.327 290 HA SER 41 HA SER 41 12.394 3.619 3.079 291 1HB SER 41 2HB SER 41 11.294 1.571 5.026 292 2HB SER 41 1HB SER 41 10.395 2.938 4.370 293 HG SER 41 HG SER 41 10.550 0.581 3.327 294 H GLN 42 H GLN 42 13.846 2.368 6.005 295 HA GLN 42 HA GLN 42 13.063 4.508 7.698 296 1HB GLN 42 2HB GLN 42 15.512 2.761 7.977 297 2HB GLN 42 1HB GLN 42 14.729 3.682 9.247 298 1HG GLN 42 2HG GLN 42 13.247 1.543 7.777 299 2HG GLN 42 1HG GLN 42 14.325 1.148 9.116 300 1HE2 GLN 42 1HE2 GLN 42 11.216 1.902 8.281 301 2HE2 GLN 42 2HE2 GLN 42 10.618 2.382 9.829 302 H TRP 43 H TRP 43 15.660 3.956 5.467 303 HA TRP 43 HA TRP 43 17.540 5.867 6.038 304 1HB TRP 43 2HB TRP 43 16.365 4.800 3.478 305 2HB TRP 43 1HB TRP 43 17.530 6.110 3.408 306 HD1 TRP 43 HD TRP 43 19.130 4.460 6.002 307 HE1 TRP 43 1HE TRP 43 20.783 2.704 5.230 308 HE3 TRP 43 3HE TRP 43 17.384 3.740 1.258 309 HZ2 TRP 43 2HZ TRP 43 21.302 1.179 2.949 310 HZ3 TRP 43 3HZ TRP 43 18.527 2.085 -0.162 311 HH2 TRP 43 HH TRP 43 20.451 0.828 0.667 312 H THR 44 H THR 44 14.915 6.314 3.726 313 HA THR 44 HA THR 44 15.130 9.080 3.515 314 HB THR 44 HB THR 44 13.941 7.296 2.051 315 HG1 THR 44 1HG THR 44 13.990 9.274 1.236 316 1HG2 THR 44 1HG2 THR 44 11.849 6.691 2.403 317 2HG2 THR 44 2HG2 THR 44 11.374 8.298 2.956 318 3HG2 THR 44 3HG2 THR 44 12.139 7.169 4.075 319 H SER 45 H SER 45 13.665 7.209 5.998 320 HA SER 45 HA SER 45 11.835 9.222 6.901 321 1HB SER 45 2HB SER 45 11.292 7.771 8.631 322 2HB SER 45 1HB SER 45 11.894 6.634 7.428 323 HG SER 45 HG SER 45 13.524 6.182 8.685 324 H SER 46 H SER 46 15.117 8.250 7.603 325 HA SER 46 HA SER 46 15.555 10.069 9.735 326 1HB SER 46 2HB SER 46 16.978 7.985 8.537 327 2HB SER 46 1HB SER 46 17.944 9.419 8.224 328 HG SER 46 HG SER 46 18.319 9.656 10.310 329 H CYS 47 H CYS 47 15.775 10.212 6.254 330 HA CYS 47 HA CYS 47 17.193 12.643 6.009 331 1HB CYS 47 2HB CYS 47 16.948 11.272 4.060 332 2HB CYS 47 1HB CYS 47 15.220 11.213 4.230 333 HG CYS 47 HG CYS 47 15.167 13.057 2.628 334 H LEU 48 H LEU 48 13.806 11.794 6.282 335 HA LEU 48 HA LEU 48 12.758 14.373 5.973 336 1HB LEU 48 2HB LEU 48 11.798 11.737 6.880 337 2HB LEU 48 1HB LEU 48 10.904 13.106 7.502 338 HG LEU 48 HG LEU 48 10.062 13.684 5.443 339 1HD1 LEU 48 1HD1 LEU 48 11.131 12.836 3.282 340 2HD1 LEU 48 2HD1 LEU 48 12.527 12.433 4.283 341 3HD1 LEU 48 3HD1 LEU 48 11.975 14.104 4.171 342 1HD2 LEU 48 1HD2 LEU 48 10.534 10.716 5.284 343 2HD2 LEU 48 2HD2 LEU 48 9.463 11.600 4.197 344 3HD2 LEU 48 3HD2 LEU 48 9.118 11.549 5.926 345 H GLU 49 H GLU 49 14.067 12.646 8.736 346 HA GLU 49 HA GLU 49 13.242 14.741 10.536 347 1HB GLU 49 2HB GLU 49 13.635 12.345 11.282 348 2HB GLU 49 1HB GLU 49 15.359 12.711 11.172 349 1HG GLU 49 2HG GLU 49 14.719 14.780 12.607 350 2HG GLU 49 1HG GLU 49 13.305 13.831 13.028 351 H HIS 50 H HIS 50 16.016 13.894 8.615 352 HA HIS 50 HA HIS 50 17.677 15.983 9.733 353 1HB HIS 50 2HB HIS 50 18.029 14.004 7.489 354 2HB HIS 50 1HB HIS 50 19.178 15.313 7.749 355 HD1 HIS 50 1HD HIS 50 20.178 15.332 10.335 356 HD2 HIS 50 2HD HIS 50 18.641 11.762 8.868 357 HE1 HIS 50 1HE HIS 50 21.138 13.533 11.806 358 HE2 HIS 50 2HE HIS 50 20.248 11.375 10.856 359 H CYS 51 H CYS 51 15.033 16.104 7.821 360 HA CYS 51 HA CYS 51 16.028 18.314 6.150 361 1HB CYS 51 2HB CYS 51 14.852 16.252 5.067 362 2HB CYS 51 1HB CYS 51 13.380 16.882 5.800 363 HG CYS 51 HG CYS 51 14.698 19.005 4.121 364 H ILE 52 H ILE 52 13.336 17.132 8.087 365 HA ILE 52 HA ILE 52 11.951 19.529 8.411 366 HB ILE 52 HB ILE 52 11.142 17.238 8.960 367 1HG1 ILE 52 2HG1 ILE 52 9.942 19.223 9.719 368 2HG1 ILE 52 1HG1 ILE 52 9.741 17.842 10.789 369 1HG2 ILE 52 1HG2 ILE 52 12.378 17.449 11.647 370 2HG2 ILE 52 2HG2 ILE 52 13.280 16.736 10.312 371 3HG2 ILE 52 3HG2 ILE 52 11.742 16.037 10.809 372 1HD1 ILE 52 1HD1 ILE 52 11.840 19.085 11.918 373 2HD1 ILE 52 2HD1 ILE 52 10.158 19.315 12.387 374 3HD1 ILE 52 3HD1 ILE 52 10.927 20.446 11.276 375 H LYS 53 H LYS 53 14.651 18.137 10.231 376 HA LYS 53 HA LYS 53 14.667 20.068 12.309 377 1HB LYS 53 2HB LYS 53 16.498 17.941 11.337 378 2HB LYS 53 1HB LYS 53 17.230 19.225 12.283 379 1HG LYS 53 2HG LYS 53 16.563 17.219 13.594 380 2HG LYS 53 1HG LYS 53 15.854 18.723 14.166 381 1HD LYS 53 2HD LYS 53 14.236 17.311 12.189 382 2HD LYS 53 1HD LYS 53 14.480 16.422 13.691 383 1HE LYS 53 2HE LYS 53 13.796 18.578 14.876 384 2HE LYS 53 1HE LYS 53 13.231 19.128 13.303 385 1HZ LYS 53 1HZ LYS 53 11.455 17.789 13.387 386 2HZ LYS 53 2HZ LYS 53 11.744 17.746 15.051 387 3HZ LYS 53 3HZ LYS 53 12.310 16.495 14.064 388 H ARG 54 H ARG 54 16.127 19.899 9.132 389 HA ARG 54 HA ARG 54 17.818 22.197 9.523 390 1HB ARG 54 2HB ARG 54 18.295 20.305 7.919 391 2HB ARG 54 1HB ARG 54 17.018 20.948 6.896 392 1HG ARG 54 2HG ARG 54 18.629 22.136 5.917 393 2HG ARG 54 1HG ARG 54 18.566 23.158 7.350 394 1HD ARG 54 2HD ARG 54 20.687 22.654 7.740 395 2HD ARG 54 1HD ARG 54 20.208 20.988 8.034 396 HE ARG 54 HE ARG 54 21.435 22.076 5.636 397 1HH1 ARG 54 1HH1 ARG 54 19.822 19.333 7.099 398 2HH1 ARG 54 2HH1 ARG 54 20.453 18.204 5.952 399 1HH2 ARG 54 1HH2 ARG 54 22.251 20.583 4.137 400 2HH2 ARG 54 2HH2 ARG 54 21.825 18.909 4.274 401 H LEU 55 H LEU 55 14.742 21.529 7.971 402 HA LEU 55 HA LEU 55 14.266 23.941 6.699 403 1HB LEU 55 2HB LEU 55 12.595 21.740 7.791 404 2HB LEU 55 1HB LEU 55 11.762 23.250 7.509 405 HG LEU 55 HG LEU 55 11.347 22.165 5.540 406 1HD1 LEU 55 1HD1 LEU 55 12.867 24.280 5.291 407 2HD1 LEU 55 2HD1 LEU 55 12.372 23.322 3.894 408 3HD1 LEU 55 3HD1 LEU 55 13.980 23.106 4.591 409 1HD2 LEU 55 1HD2 LEU 55 12.713 20.183 6.136 410 2HD2 LEU 55 2HD2 LEU 55 14.123 21.014 5.480 411 3HD2 LEU 55 3HD2 LEU 55 12.769 20.608 4.425 412 H THR 56 H THR 56 13.595 22.962 9.990 413 HA THR 56 HA THR 56 12.406 25.446 10.734 414 HB THR 56 HB THR 56 12.119 24.488 12.860 415 HG1 THR 56 1HG THR 56 14.127 23.875 13.454 416 1HG2 THR 56 1HG2 THR 56 11.717 22.726 10.601 417 2HG2 THR 56 2HG2 THR 56 10.718 22.982 12.023 418 3HG2 THR 56 3HG2 THR 56 12.043 21.825 12.080 419 H ALA 57 H ALA 57 15.621 24.095 10.754 420 HA ALA 57 HA ALA 57 16.819 25.904 12.567 421 1HB ALA 57 1HB ALA 57 18.917 25.164 11.690 422 2HB ALA 57 2HB ALA 57 18.159 24.592 10.203 423 3HB ALA 57 3HB ALA 57 17.842 23.766 11.729 424 H LEU 58 H LEU 58 16.060 26.003 9.147 425 HA LEU 58 HA LEU 58 17.320 28.601 8.803 426 1HB LEU 58 2HB LEU 58 16.323 26.453 7.071 427 2HB LEU 58 1HB LEU 58 15.953 28.060 6.483 428 HG LEU 58 HG LEU 58 18.426 28.588 6.742 429 1HD1 LEU 58 1HD1 LEU 58 18.614 26.364 8.171 430 2HD1 LEU 58 2HD1 LEU 58 19.960 26.976 7.209 431 3HD1 LEU 58 3HD1 LEU 58 18.951 25.673 6.583 432 1HD2 LEU 58 1HD2 LEU 58 17.142 26.834 4.741 433 2HD2 LEU 58 2HD2 LEU 58 18.903 26.924 4.695 434 3HD2 LEU 58 3HD2 LEU 58 17.941 28.394 4.541 435 H ASN 59 H ASN 59 14.226 27.212 9.468 436 HA ASN 59 HA ASN 59 12.121 28.014 9.617 437 1HB ASN 59 2HB ASN 59 11.889 30.093 10.873 438 2HB ASN 59 1HB ASN 59 13.171 29.092 11.545 439 1HD2 ASN 59 1HD2 ASN 59 15.334 29.712 11.227 440 2HD2 ASN 59 2HD2 ASN 59 15.750 31.345 10.846 441 H LYS 60 H LYS 60 11.431 27.995 7.511 442 HA LYS 60 HA LYS 60 10.491 30.404 6.459 443 1HB LYS 60 2HB LYS 60 13.138 30.237 5.921 444 2HB LYS 60 1HB LYS 60 12.481 29.429 4.505 445 1HG LYS 60 2HG LYS 60 11.620 31.328 3.653 446 2HG LYS 60 1HG LYS 60 11.192 31.973 5.238 447 1HD LYS 60 2HD LYS 60 12.903 33.387 4.852 448 2HD LYS 60 1HD LYS 60 13.896 32.027 5.383 449 1HE LYS 60 2HE LYS 60 14.932 32.514 3.408 450 2HE LYS 60 1HE LYS 60 13.728 31.359 2.838 451 1HZ LYS 60 1HZ LYS 60 13.523 33.107 1.365 452 2HZ LYS 60 2HZ LYS 60 13.758 34.291 2.548 453 3HZ LYS 60 3HZ LYS 60 12.295 33.446 2.479 454 HA PRO 61 HA PRO 61 8.653 30.519 6.366 455 1HB PRO 61 2HB PRO 61 6.059 29.762 6.358 456 2HB PRO 61 1HB PRO 61 6.831 30.582 5.008 457 1HG PRO 61 2HG PRO 61 5.938 27.808 5.227 458 2HG PRO 61 1HG PRO 61 6.340 28.745 3.782 459 1HD PRO 61 2HD PRO 61 7.946 26.790 5.167 460 2HD PRO 61 1HD PRO 61 8.315 27.660 3.667 461 H PHE 62 H PHE 62 6.535 27.791 7.150 462 HA PHE 62 HA PHE 62 7.734 27.543 9.795 463 1HB PHE 62 2HB PHE 62 4.846 28.280 9.294 464 2HB PHE 62 1HB PHE 62 5.437 27.664 10.834 465 HD1 PHE 62 1HD PHE 62 5.085 30.540 8.714 466 HD2 PHE 62 2HD PHE 62 7.164 28.984 12.086 467 HE1 PHE 62 1HE PHE 62 5.703 32.827 9.383 468 HE2 PHE 62 2HE PHE 62 7.785 31.268 12.762 469 HZ PHE 62 HZ PHE 62 7.054 33.192 11.410 470 H LYS 63 H LYS 63 4.635 26.486 8.413 471 HA LYS 63 HA LYS 63 4.925 23.829 9.339 472 1HB LYS 63 2HB LYS 63 2.730 24.835 8.915 473 2HB LYS 63 1HB LYS 63 3.098 24.943 7.200 474 1HG LYS 63 2HG LYS 63 3.112 22.555 6.989 475 2HG LYS 63 1HG LYS 63 2.953 22.358 8.735 476 1HD LYS 63 2HD LYS 63 0.740 23.177 8.727 477 2HD LYS 63 1HD LYS 63 0.903 23.821 7.093 478 1HE LYS 63 2HE LYS 63 -0.432 21.676 7.348 479 2HE LYS 63 1HE LYS 63 0.839 21.679 6.126 480 1HZ LYS 63 1HZ LYS 63 0.776 19.651 7.524 481 2HZ LYS 63 2HZ LYS 63 1.182 20.594 8.868 482 3HZ LYS 63 3HZ LYS 63 2.263 20.457 7.574 483 H TYR 64 H TYR 64 6.826 22.919 8.624 484 HA TYR 64 HA TYR 64 7.253 22.755 5.735 485 1HB TYR 64 2HB TYR 64 9.214 21.561 7.628 486 2HB TYR 64 1HB TYR 64 9.489 22.452 6.137 487 HD1 TYR 64 1HD TYR 64 8.998 25.013 6.228 488 HD2 TYR 64 2HD TYR 64 9.611 22.590 9.672 489 HE1 TYR 64 1HE TYR 64 9.543 27.022 7.538 490 HE2 TYR 64 2HE TYR 64 10.158 24.593 10.990 491 HH TYR 64 HH TYR 64 9.499 27.189 10.742 492 H VAL 65 H VAL 65 6.345 21.078 4.755 493 HA VAL 65 HA VAL 65 6.169 18.539 6.208 494 HB VAL 65 HB VAL 65 3.966 19.152 5.605 495 1HG1 VAL 65 1HG1 VAL 65 4.365 20.905 4.074 496 2HG1 VAL 65 2HG1 VAL 65 3.374 19.700 3.253 497 3HG1 VAL 65 3HG1 VAL 65 5.102 19.798 2.920 498 1HG2 VAL 65 1HG2 VAL 65 3.227 17.443 4.134 499 2HG2 VAL 65 2HG2 VAL 65 4.625 16.803 5.001 500 3HG2 VAL 65 3HG2 VAL 65 4.799 17.364 3.337 501 H VAL 66 H VAL 66 8.150 17.696 5.772 502 HA VAL 66 HA VAL 66 9.075 17.516 3.012 503 HB VAL 66 HB VAL 66 10.412 16.360 5.460 504 1HG1 VAL 66 1HG1 VAL 66 11.034 15.770 3.005 505 2HG1 VAL 66 2HG1 VAL 66 12.308 16.131 4.171 506 3HG1 VAL 66 3HG1 VAL 66 11.798 17.359 3.014 507 1HG2 VAL 66 1HG2 VAL 66 10.114 18.687 5.940 508 2HG2 VAL 66 2HG2 VAL 66 10.652 19.142 4.322 509 3HG2 VAL 66 3HG2 VAL 66 11.796 18.438 5.466 510 H THR 67 H THR 67 8.634 15.760 1.781 511 HA THR 67 HA THR 67 8.145 13.220 3.156 512 HB THR 67 HB THR 67 5.943 13.993 2.742 513 HG1 THR 67 1HG THR 67 5.218 12.337 1.561 514 1HG2 THR 67 1HG2 THR 67 5.221 15.196 1.017 515 2HG2 THR 67 2HG2 THR 67 6.107 14.225 -0.158 516 3HG2 THR 67 3HG2 THR 67 6.933 15.505 0.735 517 H CYS 68 H CYS 68 8.707 11.394 2.132 518 HA CYS 68 HA CYS 68 10.016 11.648 -0.484 519 1HB CYS 68 2HB CYS 68 11.090 10.431 2.050 520 2HB CYS 68 1HB CYS 68 11.691 9.942 0.473 521 HG CYS 68 HG CYS 68 13.282 11.778 1.022 522 H ILE 69 H ILE 69 10.125 9.685 -1.694 523 HA ILE 69 HA ILE 69 8.489 7.463 -0.718 524 HB ILE 69 HB ILE 69 8.064 8.831 -3.378 525 1HG1 ILE 69 2HG1 ILE 69 5.645 8.812 -2.234 526 2HG1 ILE 69 1HG1 ILE 69 6.634 8.851 -0.778 527 1HG2 ILE 69 1HG2 ILE 69 6.907 6.289 -2.271 528 2HG2 ILE 69 2HG2 ILE 69 7.803 6.511 -3.772 529 3HG2 ILE 69 3HG2 ILE 69 6.179 7.180 -3.608 530 1HD1 ILE 69 1HD1 ILE 69 5.923 10.983 -2.500 531 2HD1 ILE 69 2HD1 ILE 69 7.673 10.776 -2.570 532 3HD1 ILE 69 3HD1 ILE 69 6.876 11.031 -1.017 533 H ILE 70 H ILE 70 9.585 5.641 -0.953 534 HA ILE 70 HA ILE 70 11.943 5.559 -2.625 535 HB ILE 70 HB ILE 70 12.269 3.296 -1.649 536 1HG1 ILE 70 2HG1 ILE 70 10.176 3.778 0.388 537 2HG1 ILE 70 1HG1 ILE 70 9.596 3.297 -1.204 538 1HG2 ILE 70 1HG2 ILE 70 13.412 4.961 -0.510 539 2HG2 ILE 70 2HG2 ILE 70 12.474 4.189 0.769 540 3HG2 ILE 70 3HG2 ILE 70 11.930 5.717 0.077 541 1HD1 ILE 70 1HD1 ILE 70 11.275 1.781 0.736 542 2HD1 ILE 70 2HD1 ILE 70 11.356 1.407 -0.985 543 3HD1 ILE 70 3HD1 ILE 70 9.821 1.280 -0.127 544 H MET 71 H MET 71 12.299 4.297 -4.377 545 HA MET 71 HA MET 71 10.011 2.784 -5.448 546 1HB MET 71 2HB MET 71 12.008 4.434 -7.008 547 2HB MET 71 1HB MET 71 10.723 3.459 -7.707 548 1HG MET 71 2HG MET 71 9.112 4.891 -6.374 549 2HG MET 71 1HG MET 71 10.479 5.963 -6.074 550 1HE MET 71 1HE MET 71 7.614 5.747 -9.288 551 2HE MET 71 2HE MET 71 7.699 7.186 -8.272 552 3HE MET 71 3HE MET 71 7.591 5.588 -7.532 553 H GLN 72 H GLN 72 10.502 0.700 -5.339 554 HA GLN 72 HA GLN 72 13.030 -0.407 -5.015 555 1HB GLN 72 2HB GLN 72 10.591 -1.408 -4.795 556 2HB GLN 72 1HB GLN 72 10.924 -1.982 -6.423 557 1HG GLN 72 2HG GLN 72 12.344 -3.553 -5.712 558 2HG GLN 72 1HG GLN 72 13.082 -2.487 -4.518 559 1HE2 GLN 72 1HE2 GLN 72 12.236 -2.396 -2.445 560 2HE2 GLN 72 2HE2 GLN 72 11.131 -3.581 -1.844 561 H LYS 73 H LYS 73 14.587 -1.162 -6.340 562 HA LYS 73 HA LYS 73 15.932 -1.110 -8.181 563 1HB LYS 73 2HB LYS 73 15.232 -2.593 -9.916 564 2HB LYS 73 1HB LYS 73 14.591 -3.204 -8.400 565 1HG LYS 73 2HG LYS 73 12.787 -1.435 -9.912 566 2HG LYS 73 1HG LYS 73 13.163 -2.981 -10.668 567 1HD LYS 73 2HD LYS 73 12.364 -2.878 -7.788 568 2HD LYS 73 1HD LYS 73 11.135 -2.799 -9.051 569 1HE LYS 73 2HE LYS 73 12.482 -4.880 -9.978 570 2HE LYS 73 1HE LYS 73 12.938 -5.033 -8.282 571 1HZ LYS 73 1HZ LYS 73 10.183 -5.018 -9.387 572 2HZ LYS 73 2HZ LYS 73 10.541 -4.991 -7.735 573 3HZ LYS 73 3HZ LYS 73 10.986 -6.325 -8.674 574 H ASN 74 H ASN 74 15.456 -0.903 -10.912 575 HA ASN 74 HA ASN 74 14.449 1.857 -11.140 576 1HB ASN 74 2HB ASN 74 16.094 2.099 -13.021 577 2HB ASN 74 1HB ASN 74 16.833 1.867 -11.439 578 1HD2 ASN 74 1HD2 ASN 74 15.893 0.190 -14.392 579 2HD2 ASN 74 2HD2 ASN 74 17.118 -1.025 -14.306 580 H GLY 75 H GLY 75 12.630 -0.138 -11.416 581 1HA GLY 75 2HA GLY 75 11.802 0.228 -14.161 582 2HA GLY 75 1HA GLY 75 12.170 -1.438 -13.740 583 H ALA 76 H ALA 76 10.837 0.742 -11.375 584 HA ALA 76 HA ALA 76 8.355 -0.832 -11.414 585 1HB ALA 76 1HB ALA 76 8.179 0.417 -9.071 586 2HB ALA 76 2HB ALA 76 9.931 0.460 -9.263 587 3HB ALA 76 3HB ALA 76 9.081 -1.085 -9.275 588 H GLY 77 H GLY 77 6.373 0.130 -11.579 589 1HA GLY 77 2HA GLY 77 6.406 2.975 -12.331 590 2HA GLY 77 1HA GLY 77 5.181 1.808 -12.808 591 H LEU 78 H LEU 78 5.701 4.417 -10.921 592 HA LEU 78 HA LEU 78 3.447 3.720 -9.183 593 1HB LEU 78 2HB LEU 78 5.915 3.658 -8.153 594 2HB LEU 78 1HB LEU 78 5.602 5.375 -7.988 595 HG LEU 78 HG LEU 78 5.029 4.280 -5.928 596 1HD1 LEU 78 1HD1 LEU 78 2.313 4.681 -7.027 597 2HD1 LEU 78 2HD1 LEU 78 3.443 6.027 -7.173 598 3HD1 LEU 78 3HD1 LEU 78 3.069 5.359 -5.584 599 1HD2 LEU 78 1HD2 LEU 78 4.686 2.027 -6.841 600 2HD2 LEU 78 2HD2 LEU 78 3.159 2.555 -7.548 601 3HD2 LEU 78 3HD2 LEU 78 3.357 2.526 -5.795 602 H HIS 79 H HIS 79 1.986 5.322 -8.913 603 HA HIS 79 HA HIS 79 2.706 8.031 -9.786 604 1HB HIS 79 2HB HIS 79 0.246 6.496 -10.646 605 2HB HIS 79 1HB HIS 79 0.509 8.211 -10.942 606 HD1 HIS 79 1HD HIS 79 1.609 8.769 -13.092 607 HD2 HIS 79 2HD HIS 79 2.325 4.838 -11.953 608 HE1 HIS 79 1HE HIS 79 2.866 7.733 -15.008 609 HE2 HIS 79 2HE HIS 79 3.369 5.381 -14.257 610 H THR 80 H THR 80 2.177 9.502 -8.315 611 HA THR 80 HA THR 80 0.194 8.778 -6.267 612 HB THR 80 HB THR 80 2.228 10.997 -6.078 613 HG1 THR 80 1HG THR 80 3.546 9.315 -6.184 614 1HG2 THR 80 1HG2 THR 80 0.135 10.259 -4.396 615 2HG2 THR 80 2HG2 THR 80 1.475 11.346 -4.030 616 3HG2 THR 80 3HG2 THR 80 1.597 9.631 -3.635 617 H ALA 81 H ALA 81 -1.417 10.236 -5.657 618 HA ALA 81 HA ALA 81 -1.754 12.623 -7.342 619 1HB ALA 81 1HB ALA 81 -3.970 10.652 -6.787 620 2HB ALA 81 2HB ALA 81 -3.079 10.759 -8.305 621 3HB ALA 81 3HB ALA 81 -4.070 12.114 -7.768 622 H ALA 82 H ALA 82 -2.799 14.349 -6.354 623 HA ALA 82 HA ALA 82 -4.105 14.012 -3.830 624 1HB ALA 82 1HB ALA 82 -2.651 15.231 -2.431 625 2HB ALA 82 2HB ALA 82 -1.608 15.664 -3.787 626 3HB ALA 82 3HB ALA 82 -1.682 13.992 -3.229 627 H SER 83 H SER 83 -5.638 15.432 -3.588 628 HA SER 83 HA SER 83 -5.723 17.741 -5.374 629 1HB SER 83 2HB SER 83 -7.708 16.367 -5.412 630 2HB SER 83 1HB SER 83 -7.823 16.395 -3.654 631 HG SER 83 HG SER 83 -8.254 18.626 -3.784 632 H CYS 84 H CYS 84 -5.017 19.628 -4.609 633 HA CYS 84 HA CYS 84 -5.043 20.067 -1.708 634 1HB CYS 84 2HB CYS 84 -3.087 20.527 -3.719 635 2HB CYS 84 1HB CYS 84 -3.546 22.085 -3.044 636 HG CYS 84 HG CYS 84 -2.767 19.930 -0.998 637 H TRP 85 H TRP 85 -6.259 21.604 -0.809 638 HA TRP 85 HA TRP 85 -8.126 23.038 -2.452 639 1HB TRP 85 2HB TRP 85 -8.216 22.092 0.097 640 2HB TRP 85 1HB TRP 85 -7.898 23.799 0.391 641 HD1 TRP 85 HD TRP 85 -10.206 22.168 -2.261 642 HE1 TRP 85 1HE TRP 85 -12.555 23.169 -1.990 643 HE3 TRP 85 3HE TRP 85 -9.353 25.148 1.804 644 HZ2 TRP 85 2HZ TRP 85 -13.880 24.987 -0.280 645 HZ3 TRP 85 3HZ TRP 85 -11.215 26.487 2.695 646 HH2 TRP 85 HH TRP 85 -13.431 26.407 1.673 647 H TRP 86 H TRP 86 -5.132 23.766 -0.811 648 HA TRP 86 HA TRP 86 -5.345 26.555 -1.744 649 1HB TRP 86 2HB TRP 86 -3.881 25.492 0.681 650 2HB TRP 86 1HB TRP 86 -3.811 27.157 0.114 651 HD1 TRP 86 HD TRP 86 -5.833 24.859 2.259 652 HE1 TRP 86 1HE TRP 86 -7.890 26.102 3.179 653 HE3 TRP 86 3HE TRP 86 -5.609 29.062 -0.643 654 HZ2 TRP 86 2HZ TRP 86 -9.239 28.542 2.734 655 HZ3 TRP 86 3HZ TRP 86 -7.320 30.802 -0.333 656 HH2 TRP 86 HH TRP 86 -9.098 30.546 1.321 657 H ASP 87 H ASP 87 -3.048 27.559 -1.935 658 HA ASP 87 HA ASP 87 -0.929 25.773 -2.662 659 1HB ASP 87 2HB ASP 87 -2.746 26.040 -4.639 660 2HB ASP 87 1HB ASP 87 -1.714 27.424 -4.992 661 H SER 88 H SER 88 -2.248 29.048 -2.996 662 HA SER 88 HA SER 88 0.195 30.378 -3.367 663 1HB SER 88 2HB SER 88 -1.256 32.312 -2.220 664 2HB SER 88 1HB SER 88 -1.541 31.779 -3.876 665 HG SER 88 HG SER 88 -3.443 31.162 -3.271 666 H THR 89 H THR 89 -1.409 29.241 -0.480 667 HA THR 89 HA THR 89 0.637 30.537 1.184 668 HB THR 89 HB THR 89 -1.706 30.984 1.791 669 HG1 THR 89 1HG THR 89 -0.709 31.106 3.635 670 1HG2 THR 89 1HG2 THR 89 -3.289 29.453 1.986 671 2HG2 THR 89 2HG2 THR 89 -2.274 28.432 3.005 672 3HG2 THR 89 3HG2 THR 89 -2.164 28.313 1.248 673 H THR 90 H THR 90 -0.373 27.469 -0.014 674 HA THR 90 HA THR 90 1.085 26.030 2.047 675 HB THR 90 HB THR 90 0.229 24.004 0.779 676 HG1 THR 90 1HG THR 90 -1.458 25.886 -0.488 677 1HG2 THR 90 1HG2 THR 90 -1.811 23.997 1.838 678 2HG2 THR 90 2HG2 THR 90 -2.084 25.716 1.552 679 3HG2 THR 90 3HG2 THR 90 -0.919 25.200 2.771 680 H ASP 91 H ASP 91 2.560 27.702 0.216 681 HA ASP 91 HA ASP 91 4.520 27.672 -0.923 682 1HB ASP 91 2HB ASP 91 4.742 25.612 0.817 683 2HB ASP 91 1HB ASP 91 4.961 24.764 -0.707 684 H GLY 92 H GLY 92 3.315 24.419 -1.704 685 1HA GLY 92 2HA GLY 92 2.097 24.374 -3.961 686 2HA GLY 92 1HA GLY 92 3.564 25.143 -4.551 687 H SER 93 H SER 93 4.773 23.239 -2.256 688 HA SER 93 HA SER 93 5.811 21.247 -2.166 689 1HB SER 93 2HB SER 93 3.669 20.393 -4.127 690 2HB SER 93 1HB SER 93 4.751 19.298 -3.270 691 HG SER 93 HG SER 93 2.803 19.464 -2.156 692 H ARG 94 H ARG 94 7.633 20.452 -3.006 693 HA ARG 94 HA ARG 94 8.078 20.597 -5.903 694 1HB ARG 94 2HB ARG 94 9.174 22.455 -4.150 695 2HB ARG 94 1HB ARG 94 10.475 21.295 -4.385 696 1HG ARG 94 2HG ARG 94 10.835 22.875 -6.043 697 2HG ARG 94 1HG ARG 94 10.001 21.571 -6.890 698 1HD ARG 94 2HD ARG 94 7.872 22.985 -6.176 699 2HD ARG 94 1HD ARG 94 9.053 24.295 -6.176 700 HE ARG 94 HE ARG 94 9.488 23.112 -8.555 701 1HH1 ARG 94 1HH1 ARG 94 6.568 24.258 -7.004 702 2HH1 ARG 94 2HH1 ARG 94 5.780 24.634 -8.499 703 1HH2 ARG 94 1HH2 ARG 94 8.443 23.609 -10.513 704 2HH2 ARG 94 2HH2 ARG 94 6.841 24.266 -10.487 705 H THR 95 H THR 95 8.861 18.694 -6.641 706 HA THR 95 HA THR 95 9.906 16.821 -4.660 707 HB THR 95 HB THR 95 7.907 16.293 -6.193 708 HG1 THR 95 1HG THR 95 10.101 14.580 -5.741 709 1HG2 THR 95 1HG2 THR 95 9.529 16.826 -8.252 710 2HG2 THR 95 2HG2 THR 95 8.173 15.701 -8.334 711 3HG2 THR 95 3HG2 THR 95 9.810 15.094 -8.077 712 H VAL 96 H VAL 96 11.720 15.508 -5.027 713 HA VAL 96 HA VAL 96 13.582 16.446 -7.107 714 HB VAL 96 HB VAL 96 14.363 15.917 -4.233 715 1HG1 VAL 96 1HG1 VAL 96 16.114 15.378 -5.856 716 2HG1 VAL 96 2HG1 VAL 96 16.547 16.778 -4.875 717 3HG1 VAL 96 3HG1 VAL 96 15.986 17.001 -6.532 718 1HG2 VAL 96 1HG2 VAL 96 13.976 18.509 -5.710 719 2HG2 VAL 96 2HG2 VAL 96 14.863 18.373 -4.191 720 3HG2 VAL 96 3HG2 VAL 96 13.149 17.959 -4.252 721 H ARG 97 H ARG 97 14.022 14.701 -8.345 722 HA ARG 97 HA ARG 97 13.713 12.033 -7.283 723 1HB ARG 97 2HB ARG 97 14.540 13.069 -9.996 724 2HB ARG 97 1HB ARG 97 14.431 11.357 -9.610 725 1HG ARG 97 2HG ARG 97 12.025 12.853 -8.915 726 2HG ARG 97 1HG ARG 97 12.417 12.907 -10.634 727 1HD ARG 97 2HD ARG 97 12.648 10.259 -9.373 728 2HD ARG 97 1HD ARG 97 11.014 10.918 -9.440 729 HE ARG 97 HE ARG 97 12.026 11.275 -11.960 730 1HH1 ARG 97 1HH1 ARG 97 11.532 8.522 -9.858 731 2HH1 ARG 97 2HH1 ARG 97 11.300 7.414 -11.167 732 1HH2 ARG 97 1HH2 ARG 97 11.720 9.813 -13.672 733 2HH2 ARG 97 2HH2 ARG 97 11.406 8.144 -13.329 734 H TRP 98 H TRP 98 15.252 11.263 -6.003 735 HA TRP 98 HA TRP 98 18.082 11.694 -6.733 736 1HB TRP 98 2HB TRP 98 16.713 12.222 -4.343 737 2HB TRP 98 1HB TRP 98 17.602 10.744 -4.016 738 HD1 TRP 98 HD TRP 98 19.462 11.619 -2.509 739 HE1 TRP 98 1HE TRP 98 21.363 13.328 -2.728 740 HE3 TRP 98 3HE TRP 98 18.101 13.744 -6.940 741 HZ2 TRP 98 2HZ TRP 98 22.179 15.319 -4.554 742 HZ3 TRP 98 3HZ TRP 98 19.494 15.547 -7.859 743 HH2 TRP 98 HH TRP 98 21.492 16.319 -6.689 744 H GLU 99 H GLU 99 19.412 9.909 -6.879 745 HA GLU 99 HA GLU 99 18.308 7.274 -6.245 746 1HB GLU 99 2HB GLU 99 19.555 8.019 -8.892 747 2HB GLU 99 1HB GLU 99 19.128 6.387 -8.406 748 1HG GLU 99 2HG GLU 99 17.255 6.837 -9.550 749 2HG GLU 99 1HG GLU 99 16.770 7.602 -8.039 750 H ASN 100 H ASN 100 20.050 5.550 -6.417 751 HA ASN 100 HA ASN 100 22.680 6.668 -5.715 752 1HB ASN 100 2HB ASN 100 22.828 4.558 -4.179 753 2HB ASN 100 1HB ASN 100 21.985 5.996 -3.614 754 1HD2 ASN 100 1HD2 ASN 100 21.802 2.699 -4.038 755 2HD2 ASN 100 2HD2 ASN 100 20.100 2.496 -3.828 756 H LYS 101 H LYS 101 21.204 3.483 -6.370 757 HA LYS 101 HA LYS 101 23.148 3.067 -8.508 758 1HB LYS 101 2HB LYS 101 24.262 2.118 -6.588 759 2HB LYS 101 1HB LYS 101 22.813 1.244 -6.118 760 1HG LYS 101 2HG LYS 101 23.678 0.584 -8.814 761 2HG LYS 101 1HG LYS 101 24.920 0.258 -7.602 762 1HD LYS 101 2HD LYS 101 22.067 -0.721 -7.483 763 2HD LYS 101 1HD LYS 101 23.453 -1.686 -7.992 764 1HE LYS 101 2HE LYS 101 24.464 -1.127 -5.720 765 2HE LYS 101 1HE LYS 101 22.855 -0.563 -5.270 766 1HZ LYS 101 1HZ LYS 101 23.677 -3.064 -4.931 767 2HZ LYS 101 2HZ LYS 101 22.989 -3.206 -6.469 768 3HZ LYS 101 3HZ LYS 101 22.054 -2.651 -5.175 769 H SER 102 H SER 102 20.426 1.691 -6.700 770 HA SER 102 HA SER 102 19.193 0.942 -9.256 771 1HB SER 102 2HB SER 102 20.227 -1.093 -8.329 772 2HB SER 102 1HB SER 102 19.333 -0.861 -6.825 773 HG SER 102 HG SER 102 18.483 -1.839 -9.257 774 H MET 103 H MET 103 18.726 1.287 -5.756 775 HA MET 103 HA MET 103 15.892 1.528 -5.919 776 1HB MET 103 2HB MET 103 16.991 0.770 -3.875 777 2HB MET 103 1HB MET 103 17.818 2.314 -3.725 778 1HG MET 103 2HG MET 103 16.008 2.318 -2.202 779 2HG MET 103 1HG MET 103 15.586 3.406 -3.521 780 1HE MET 103 1HE MET 103 14.497 -0.909 -3.509 781 2HE MET 103 2HE MET 103 14.018 -0.304 -1.923 782 3HE MET 103 3HE MET 103 15.682 -0.112 -2.474 783 H TYR 104 H TYR 104 14.832 3.205 -6.749 784 HA TYR 104 HA TYR 104 16.147 5.812 -6.927 785 1HB TYR 104 2HB TYR 104 13.711 4.577 -8.180 786 2HB TYR 104 1HB TYR 104 13.884 6.327 -8.152 787 HD1 TYR 104 1HD TYR 104 16.589 3.819 -8.598 788 HD2 TYR 104 2HD TYR 104 14.183 6.810 -10.431 789 HE1 TYR 104 1HE TYR 104 17.995 3.707 -10.612 790 HE2 TYR 104 2HE TYR 104 15.582 6.707 -12.450 791 HH TYR 104 HH TYR 104 18.233 5.909 -12.813 792 H CYS 105 H CYS 105 15.816 7.323 -5.422 793 HA CYS 105 HA CYS 105 13.386 7.110 -3.768 794 1HB CYS 105 2HB CYS 105 14.778 8.396 -2.058 795 2HB CYS 105 1HB CYS 105 15.219 6.715 -2.340 796 HG CYS 105 HG CYS 105 17.421 7.994 -2.357 797 H ILE 106 H ILE 106 11.940 8.584 -4.272 798 HA ILE 106 HA ILE 106 12.782 11.158 -5.368 799 HB ILE 106 HB ILE 106 10.976 10.231 -6.597 800 1HG1 ILE 106 2HG1 ILE 106 9.287 12.002 -4.910 801 2HG1 ILE 106 1HG1 ILE 106 10.756 12.709 -5.578 802 1HG2 ILE 106 1HG2 ILE 106 8.764 9.767 -5.294 803 2HG2 ILE 106 2HG2 ILE 106 9.856 9.565 -3.924 804 3HG2 ILE 106 3HG2 ILE 106 10.041 8.553 -5.356 805 1HD1 ILE 106 1HD1 ILE 106 8.426 12.740 -6.851 806 2HD1 ILE 106 2HD1 ILE 106 9.035 11.192 -7.439 807 3HD1 ILE 106 3HD1 ILE 106 9.970 12.664 -7.698 808 H CYS 107 H CYS 107 13.176 12.756 -4.032 809 HA CYS 107 HA CYS 107 11.791 12.814 -1.442 810 1HB CYS 107 2HB CYS 107 13.751 14.320 -0.774 811 2HB CYS 107 1HB CYS 107 14.084 12.605 -0.975 812 HG CYS 107 HG CYS 107 15.662 13.118 -2.784 813 H THR 108 H THR 108 10.168 14.169 -1.460 814 HA THR 108 HA THR 108 10.473 16.715 -2.898 815 HB THR 108 HB THR 108 8.663 15.090 -3.654 816 HG1 THR 108 1HG THR 108 7.280 16.760 -4.066 817 1HG2 THR 108 1HG2 THR 108 7.360 15.978 -1.098 818 2HG2 THR 108 2HG2 THR 108 7.796 14.328 -1.534 819 3HG2 THR 108 3HG2 THR 108 6.535 15.175 -2.430 820 H VAL 109 H VAL 109 9.645 18.621 -1.908 821 HA VAL 109 HA VAL 109 9.099 18.425 0.969 822 HB VAL 109 HB VAL 109 10.909 20.542 -0.186 823 1HG1 VAL 109 1HG1 VAL 109 11.497 20.478 2.413 824 2HG1 VAL 109 2HG1 VAL 109 9.826 19.919 2.498 825 3HG1 VAL 109 3HG1 VAL 109 10.199 21.474 1.756 826 1HG2 VAL 109 1HG2 VAL 109 12.707 19.301 1.072 827 2HG2 VAL 109 2HG2 VAL 109 12.147 18.574 -0.435 828 3HG2 VAL 109 3HG2 VAL 109 11.593 17.934 1.112 829 H PHE 110 H PHE 110 7.494 19.694 1.647 830 HA PHE 110 HA PHE 110 6.696 21.891 -0.101 831 1HB PHE 110 2HB PHE 110 4.487 20.843 1.490 832 2HB PHE 110 1HB PHE 110 4.520 21.394 -0.158 833 HD1 PHE 110 1HD PHE 110 3.401 18.814 1.505 834 HD2 PHE 110 2HD PHE 110 6.360 19.566 -1.449 835 HE1 PHE 110 1HE PHE 110 3.158 16.513 0.682 836 HE2 PHE 110 2HE PHE 110 6.118 17.284 -2.284 837 HZ PHE 110 HZ PHE 110 4.522 15.738 -1.218 838 H GLY 111 H GLY 111 7.497 23.547 0.886 839 1HA GLY 111 2HA GLY 111 7.471 23.770 3.792 840 2HA GLY 111 1HA GLY 111 8.208 24.908 2.666 841 H LEU 112 H LEU 112 5.150 23.778 3.985 842 HA LEU 112 HA LEU 112 3.654 25.898 2.776 843 1HB LEU 112 2HB LEU 112 2.988 23.761 4.779 844 2HB LEU 112 1HB LEU 112 1.819 24.959 4.263 845 HG LEU 112 HG LEU 112 1.693 24.081 2.091 846 1HD1 LEU 112 1HD1 LEU 112 3.218 22.488 1.117 847 2HD1 LEU 112 2HD1 LEU 112 4.143 22.444 2.610 848 3HD1 LEU 112 3HD1 LEU 112 4.106 23.916 1.647 849 1HD2 LEU 112 1HD2 LEU 112 2.062 21.861 4.044 850 2HD2 LEU 112 2HD2 LEU 112 1.507 21.602 2.389 851 3HD2 LEU 112 3HD2 LEU 112 0.560 22.602 3.493 852 H ALA 113 H ALA 113 2.912 27.741 3.593 853 HA ALA 113 HA ALA 113 4.192 28.771 5.969 854 1HB ALA 113 1HB ALA 113 2.492 29.944 3.807 855 2HB ALA 113 2HB ALA 113 4.147 30.343 4.270 856 3HB ALA 113 3HB ALA 113 2.800 30.845 5.291 857 H ILE 114 H ILE 114 3.112 27.296 7.458 858 HA ILE 114 HA ILE 114 0.595 28.453 8.396 859 HB ILE 114 HB ILE 114 0.967 25.466 8.229 860 1HG1 ILE 114 2HG1 ILE 114 0.796 26.475 5.964 861 2HG1 ILE 114 1HG1 ILE 114 -0.585 25.458 6.363 862 1HG2 ILE 114 1HG2 ILE 114 -1.324 25.333 8.876 863 2HG2 ILE 114 2HG2 ILE 114 -1.523 27.080 8.732 864 3HG2 ILE 114 3HG2 ILE 114 -0.508 26.409 10.009 865 1HD1 ILE 114 1HD1 ILE 114 -1.991 27.137 6.046 866 2HD1 ILE 114 2HD1 ILE 114 -0.631 28.065 5.413 867 3HD1 ILE 114 3HD1 ILE 114 -1.070 28.194 7.116 868 1H MET 1 1HT MET 1 -16.654 -15.841 -9.011 869 HA MET 1 HA MET 1 -15.781 -17.247 -10.557 870 1HB MET 1 2HB MET 1 -17.212 -14.805 -11.543 871 2HB MET 1 1HB MET 1 -16.749 -16.054 -12.689 872 1HG MET 1 2HG MET 1 -18.130 -17.001 -10.274 873 2HG MET 1 1HG MET 1 -19.090 -16.003 -11.364 874 1HE MET 1 1HE MET 1 -18.435 -20.112 -11.141 875 2HE MET 1 2HE MET 1 -17.270 -18.945 -10.515 876 3HE MET 1 3HE MET 1 -16.919 -19.830 -11.999 877 H GLU 2 H GLU 2 -14.572 -13.966 -10.946 878 HA GLU 2 HA GLU 2 -12.535 -14.960 -12.821 879 1HB GLU 2 2HB GLU 2 -14.139 -12.921 -13.297 880 2HB GLU 2 1HB GLU 2 -12.969 -12.046 -12.320 881 1HG GLU 2 2HG GLU 2 -11.349 -13.389 -14.047 882 2HG GLU 2 1HG GLU 2 -12.761 -13.065 -15.052 883 H GLY 3 H GLY 3 -12.947 -12.825 -10.004 884 1HA GLY 3 2HA GLY 3 -11.267 -13.444 -8.188 885 2HA GLY 3 1HA GLY 3 -10.069 -13.155 -9.440 886 H VAL 4 H VAL 4 -13.017 -11.337 -8.670 887 HA VAL 4 HA VAL 4 -11.370 -8.921 -8.436 888 HB VAL 4 HB VAL 4 -14.375 -9.081 -8.674 889 1HG1 VAL 4 1HG1 VAL 4 -14.305 -6.762 -9.164 890 2HG1 VAL 4 2HG1 VAL 4 -12.547 -6.774 -9.295 891 3HG1 VAL 4 3HG1 VAL 4 -13.316 -7.001 -7.724 892 1HG2 VAL 4 1HG2 VAL 4 -13.750 -8.248 -11.077 893 2HG2 VAL 4 2HG2 VAL 4 -13.759 -9.971 -10.703 894 3HG2 VAL 4 3HG2 VAL 4 -12.234 -9.088 -10.750 895 H ASP 5 H ASP 5 -11.055 -7.965 -6.530 896 HA ASP 5 HA ASP 5 -12.908 -8.561 -4.326 897 1HB ASP 5 2HB ASP 5 -10.443 -9.658 -4.417 898 2HB ASP 5 1HB ASP 5 -10.062 -8.134 -3.621 899 HA PRO 6 HA PRO 6 -12.635 -3.999 -4.668 900 1HB PRO 6 2HB PRO 6 -15.013 -3.510 -3.446 901 2HB PRO 6 1HB PRO 6 -14.879 -3.912 -5.162 902 1HG PRO 6 2HG PRO 6 -15.583 -5.681 -2.851 903 2HG PRO 6 1HG PRO 6 -16.327 -5.591 -4.459 904 1HD PRO 6 2HD PRO 6 -14.551 -7.516 -3.794 905 2HD PRO 6 1HD PRO 6 -14.662 -6.854 -5.438 906 H ALA 7 H ALA 7 -11.521 -2.844 -3.233 907 HA ALA 7 HA ALA 7 -10.727 -1.977 -1.282 908 1HB ALA 7 1HB ALA 7 -12.077 -2.063 0.733 909 2HB ALA 7 2HB ALA 7 -13.099 -3.309 0.022 910 3HB ALA 7 3HB ALA 7 -13.086 -1.685 -0.663 911 H VAL 8 H VAL 8 -12.100 -5.104 -0.321 912 HA VAL 8 HA VAL 8 -11.211 -6.989 0.582 913 HB VAL 8 HB VAL 8 -8.350 -6.411 0.199 914 1HG1 VAL 8 1HG1 VAL 8 -10.252 -8.636 -0.398 915 2HG1 VAL 8 2HG1 VAL 8 -8.867 -8.606 0.694 916 3HG1 VAL 8 3HG1 VAL 8 -8.613 -8.642 -1.050 917 1HG2 VAL 8 1HG2 VAL 8 -10.210 -6.012 -2.056 918 2HG2 VAL 8 2HG2 VAL 8 -8.797 -7.022 -2.365 919 3HG2 VAL 8 3HG2 VAL 8 -8.591 -5.371 -1.782 920 H GLU 9 H GLU 9 -8.599 -4.667 1.114 921 HA GLU 9 HA GLU 9 -8.945 -5.034 4.011 922 1HB GLU 9 2HB GLU 9 -6.613 -5.242 2.256 923 2HB GLU 9 1HB GLU 9 -6.337 -4.226 3.654 924 1HG GLU 9 2HG GLU 9 -7.667 -6.766 4.240 925 2HG GLU 9 1HG GLU 9 -6.033 -6.916 3.597 926 H GLU 10 H GLU 10 -10.247 -3.227 4.308 927 HA GLU 10 HA GLU 10 -9.638 -0.661 3.254 928 1HB GLU 10 2HB GLU 10 -11.892 -1.548 4.115 929 2HB GLU 10 1HB GLU 10 -11.292 -1.153 5.719 930 1HG GLU 10 2HG GLU 10 -10.828 1.129 4.187 931 2HG GLU 10 1HG GLU 10 -12.425 0.561 3.702 932 H ALA 11 H ALA 11 -8.612 1.078 4.158 933 HA ALA 11 HA ALA 11 -7.059 0.525 6.600 934 1HB ALA 11 1HB ALA 11 -6.332 2.624 4.587 935 2HB ALA 11 2HB ALA 11 -5.877 0.936 4.355 936 3HB ALA 11 3HB ALA 11 -5.304 1.817 5.772 937 H ALA 12 H ALA 12 -6.601 2.366 8.000 938 HA ALA 12 HA ALA 12 -7.248 4.103 9.318 939 1HB ALA 12 1HB ALA 12 -8.261 6.063 8.206 940 2HB ALA 12 2HB ALA 12 -8.433 5.108 6.735 941 3HB ALA 12 3HB ALA 12 -6.827 5.465 7.372 942 H PHE 13 H PHE 13 -9.028 4.964 10.500 943 HA PHE 13 HA PHE 13 -11.674 3.902 9.862 944 1HB PHE 13 2HB PHE 13 -10.319 2.362 11.460 945 2HB PHE 13 1HB PHE 13 -10.634 3.606 12.664 946 HD1 PHE 13 1HD PHE 13 -12.821 3.918 13.585 947 HD2 PHE 13 2HD PHE 13 -12.151 1.055 10.509 948 HE1 PHE 13 1HE PHE 13 -15.029 2.929 14.030 949 HE2 PHE 13 2HE PHE 13 -14.358 0.061 10.948 950 HZ PHE 13 HZ PHE 13 -15.800 0.998 12.711 951 H VAL 14 H VAL 14 -10.396 6.574 9.901 952 HA VAL 14 HA VAL 14 -12.199 7.860 11.847 953 HB VAL 14 HB VAL 14 -9.559 8.997 10.927 954 1HG1 VAL 14 1HG1 VAL 14 -11.658 9.861 12.884 955 2HG1 VAL 14 2HG1 VAL 14 -10.900 10.783 11.585 956 3HG1 VAL 14 3HG1 VAL 14 -9.986 10.400 13.045 957 1HG2 VAL 14 1HG2 VAL 14 -9.062 7.047 12.227 958 2HG2 VAL 14 2HG2 VAL 14 -10.239 7.506 13.457 959 3HG2 VAL 14 3HG2 VAL 14 -8.777 8.465 13.235 960 H ALA 15 H ALA 15 -13.065 9.917 11.215 961 HA ALA 15 HA ALA 15 -14.138 11.306 9.769 962 1HB ALA 15 1HB ALA 15 -12.877 12.195 7.927 963 2HB ALA 15 2HB ALA 15 -11.778 10.816 7.958 964 3HB ALA 15 3HB ALA 15 -11.791 11.963 9.297 965 H ASP 16 H ASP 16 -15.579 9.298 9.663 966 HA ASP 16 HA ASP 16 -15.575 7.618 7.411 967 1HB ASP 16 2HB ASP 16 -16.933 7.539 9.679 968 2HB ASP 16 1HB ASP 16 -18.152 8.372 8.722 969 H ASP 17 H ASP 17 -16.817 10.841 7.920 970 HA ASP 17 HA ASP 17 -18.626 11.053 5.821 971 1HB ASP 17 2HB ASP 17 -17.983 12.744 7.699 972 2HB ASP 17 1HB ASP 17 -16.811 13.335 6.525 973 H VAL 18 H VAL 18 -15.155 11.838 5.814 974 HA VAL 18 HA VAL 18 -15.099 12.339 2.986 975 HB VAL 18 HB VAL 18 -12.724 11.823 4.770 976 1HG1 VAL 18 1HG1 VAL 18 -12.790 12.098 2.091 977 2HG1 VAL 18 2HG1 VAL 18 -11.432 12.609 3.096 978 3HG1 VAL 18 3HG1 VAL 18 -12.636 13.787 2.575 979 1HG2 VAL 18 1HG2 VAL 18 -14.468 14.230 4.505 980 2HG2 VAL 18 2HG2 VAL 18 -12.740 14.435 4.793 981 3HG2 VAL 18 3HG2 VAL 18 -13.724 13.531 5.945 982 H SER 19 H SER 19 -14.319 9.657 5.107 983 HA SER 19 HA SER 19 -12.884 8.043 3.370 984 1HB SER 19 2HB SER 19 -14.835 7.159 5.505 985 2HB SER 19 1HB SER 19 -13.558 6.170 4.797 986 HG SER 19 HG SER 19 -12.684 6.975 6.627 987 H ASN 20 H ASN 20 -16.408 8.216 3.824 988 HA ASN 20 HA ASN 20 -16.981 6.128 1.992 989 1HB ASN 20 2HB ASN 20 -19.286 6.781 2.187 990 2HB ASN 20 1HB ASN 20 -18.542 6.926 3.775 991 1HD2 ASN 20 1HD2 ASN 20 -18.707 8.798 4.815 992 2HD2 ASN 20 2HD2 ASN 20 -19.307 10.268 4.135 993 H ILE 21 H ILE 21 -16.748 9.625 1.639 994 HA ILE 21 HA ILE 21 -17.817 9.928 -0.911 995 HB ILE 21 HB ILE 21 -15.561 11.450 0.416 996 1HG1 ILE 21 2HG1 ILE 21 -18.441 12.279 0.104 997 2HG1 ILE 21 1HG1 ILE 21 -17.872 11.361 1.495 998 1HG2 ILE 21 1HG2 ILE 21 -15.498 11.807 -2.001 999 2HG2 ILE 21 2HG2 ILE 21 -16.013 13.263 -1.150 1000 3HG2 ILE 21 3HG2 ILE 21 -17.200 12.261 -1.981 1001 1HD1 ILE 21 1HD1 ILE 21 -16.148 13.588 1.112 1002 2HD1 ILE 21 2HD1 ILE 21 -17.214 13.228 2.470 1003 3HD1 ILE 21 3HD1 ILE 21 -17.820 14.148 1.093 1004 H ILE 22 H ILE 22 -14.411 9.274 -0.009 1005 HA ILE 22 HA ILE 22 -13.462 9.254 -2.664 1006 HB ILE 22 HB ILE 22 -12.211 7.581 -0.506 1007 1HG1 ILE 22 2HG1 ILE 22 -11.054 10.210 -0.584 1008 2HG1 ILE 22 1HG1 ILE 22 -12.778 10.357 -0.262 1009 1HG2 ILE 22 1HG2 ILE 22 -10.857 7.263 -2.266 1010 2HG2 ILE 22 2HG2 ILE 22 -10.215 8.845 -1.823 1011 3HG2 ILE 22 3HG2 ILE 22 -11.425 8.710 -3.096 1012 1HD1 ILE 22 1HD1 ILE 22 -10.702 8.894 1.322 1013 2HD1 ILE 22 2HD1 ILE 22 -12.427 8.601 1.534 1014 3HD1 ILE 22 3HD1 ILE 22 -11.763 10.206 1.834 1015 H LYS 23 H LYS 23 -14.249 6.522 -0.499 1016 HA LYS 23 HA LYS 23 -13.786 4.417 -2.215 1017 1HB LYS 23 2HB LYS 23 -15.987 4.724 -0.179 1018 2HB LYS 23 1HB LYS 23 -15.477 3.200 -0.880 1019 1HG LYS 23 2HG LYS 23 -13.324 3.377 0.112 1020 2HG LYS 23 1HG LYS 23 -13.670 5.016 0.669 1021 1HD LYS 23 2HD LYS 23 -15.767 3.446 1.656 1022 2HD LYS 23 1HD LYS 23 -14.313 2.491 1.900 1023 1HE LYS 23 2HE LYS 23 -13.439 4.887 2.722 1024 2HE LYS 23 1HE LYS 23 -15.145 5.025 3.128 1025 1HZ LYS 23 1HZ LYS 23 -14.652 2.630 4.112 1026 2HZ LYS 23 2HZ LYS 23 -14.418 4.040 5.015 1027 3HZ LYS 23 3HZ LYS 23 -13.101 3.287 4.268 1028 H GLU 24 H GLU 24 -16.863 6.074 -1.685 1029 HA GLU 24 HA GLU 24 -18.390 4.794 -3.633 1030 1HB GLU 24 2HB GLU 24 -18.553 7.293 -2.093 1031 2HB GLU 24 1HB GLU 24 -19.392 7.367 -3.630 1032 1HG GLU 24 2HG GLU 24 -19.887 4.958 -2.012 1033 2HG GLU 24 1HG GLU 24 -20.493 6.475 -1.348 1034 H SER 25 H SER 25 -16.105 7.422 -3.882 1035 HA SER 25 HA SER 25 -16.740 8.180 -6.542 1036 1HB SER 25 2HB SER 25 -14.684 8.856 -4.546 1037 2HB SER 25 1HB SER 25 -14.134 8.969 -6.217 1038 HG SER 25 HG SER 25 -15.523 10.740 -4.924 1039 H ILE 26 H ILE 26 -14.191 6.019 -5.192 1040 HA ILE 26 HA ILE 26 -12.949 5.472 -7.645 1041 HB ILE 26 HB ILE 26 -13.149 3.798 -5.142 1042 1HG1 ILE 26 2HG1 ILE 26 -10.667 4.259 -5.154 1043 2HG1 ILE 26 1HG1 ILE 26 -10.955 5.362 -6.493 1044 1HG2 ILE 26 1HG2 ILE 26 -11.091 2.646 -6.538 1045 2HG2 ILE 26 2HG2 ILE 26 -12.270 2.946 -7.814 1046 3HG2 ILE 26 3HG2 ILE 26 -12.720 1.980 -6.410 1047 1HD1 ILE 26 1HD1 ILE 26 -12.199 5.605 -3.771 1048 2HD1 ILE 26 2HD1 ILE 26 -12.331 6.752 -5.105 1049 3HD1 ILE 26 3HD1 ILE 26 -10.774 6.488 -4.320 1050 H ASP 27 H ASP 27 -15.722 3.934 -6.075 1051 HA ASP 27 HA ASP 27 -16.111 1.799 -7.789 1052 1HB ASP 27 2HB ASP 27 -17.441 2.423 -5.695 1053 2HB ASP 27 1HB ASP 27 -18.372 3.501 -6.728 1054 H ALA 28 H ALA 28 -16.908 5.176 -8.198 1055 HA ALA 28 HA ALA 28 -18.177 4.722 -10.782 1056 1HB ALA 28 1HB ALA 28 -19.177 6.342 -9.282 1057 2HB ALA 28 2HB ALA 28 -18.577 7.157 -10.726 1058 3HB ALA 28 3HB ALA 28 -17.669 7.253 -9.218 1059 H VAL 29 H VAL 29 -15.295 6.278 -9.478 1060 HA VAL 29 HA VAL 29 -14.361 7.229 -11.979 1061 HB VAL 29 HB VAL 29 -13.616 7.398 -9.162 1062 1HG1 VAL 29 1HG1 VAL 29 -11.404 7.018 -11.075 1063 2HG1 VAL 29 2HG1 VAL 29 -11.478 6.746 -9.336 1064 3HG1 VAL 29 3HG1 VAL 29 -11.293 8.371 -9.956 1065 1HG2 VAL 29 1HG2 VAL 29 -14.498 9.297 -10.006 1066 2HG2 VAL 29 2HG2 VAL 29 -13.677 9.120 -11.555 1067 3HG2 VAL 29 3HG2 VAL 29 -12.786 9.639 -10.137 1068 H LEU 30 H LEU 30 -14.426 4.136 -10.684 1069 HA LEU 30 HA LEU 30 -12.203 3.345 -12.428 1070 1HB LEU 30 2HB LEU 30 -13.072 2.170 -9.799 1071 2HB LEU 30 1HB LEU 30 -12.071 1.288 -10.933 1072 HG LEU 30 HG LEU 30 -10.768 2.407 -9.123 1073 1HD1 LEU 30 1HD1 LEU 30 -10.308 3.373 -11.918 1074 2HD1 LEU 30 2HD1 LEU 30 -9.679 1.892 -11.202 1075 3HD1 LEU 30 3HD1 LEU 30 -9.126 3.464 -10.619 1076 1HD2 LEU 30 1HD2 LEU 30 -12.364 4.511 -9.353 1077 2HD2 LEU 30 2HD2 LEU 30 -11.115 5.016 -10.483 1078 3HD2 LEU 30 3HD2 LEU 30 -10.698 4.654 -8.810 1079 H GLN 31 H GLN 31 -15.539 2.681 -11.415 1080 HA GLN 31 HA GLN 31 -15.695 0.419 -13.238 1081 1HB GLN 31 2HB GLN 31 -16.944 0.569 -11.022 1082 2HB GLN 31 1HB GLN 31 -18.004 1.709 -11.825 1083 1HG GLN 31 2HG GLN 31 -18.640 0.074 -13.441 1084 2HG GLN 31 1HG GLN 31 -17.512 -1.076 -12.741 1085 1HE2 GLN 31 1HE2 GLN 31 -20.157 1.032 -11.685 1086 2HE2 GLN 31 2HE2 GLN 31 -20.908 -0.136 -10.657 1087 H ASN 32 H ASN 32 -16.217 3.832 -13.366 1088 HA ASN 32 HA ASN 32 -18.241 4.188 -15.173 1089 1HB ASN 32 2HB ASN 32 -16.868 6.147 -16.044 1090 2HB ASN 32 1HB ASN 32 -17.183 6.124 -14.315 1091 1HD2 ASN 32 1HD2 ASN 32 -14.961 7.083 -16.272 1092 2HD2 ASN 32 2HD2 ASN 32 -13.513 6.629 -15.448 1093 H GLN 33 H GLN 33 -14.853 3.448 -15.980 1094 HA GLN 33 HA GLN 33 -15.777 2.623 -18.656 1095 1HB GLN 33 2HB GLN 33 -14.148 4.726 -18.237 1096 2HB GLN 33 1HB GLN 33 -12.949 3.443 -18.321 1097 1HG GLN 33 2HG GLN 33 -13.220 3.152 -20.525 1098 2HG GLN 33 1HG GLN 33 -14.967 3.380 -20.446 1099 1HE2 GLN 33 1HE2 GLN 33 -15.727 5.153 -21.342 1100 2HE2 GLN 33 2HE2 GLN 33 -14.838 6.600 -21.655 1101 H GLN 34 H GLN 34 -13.733 1.321 -19.673 1102 HA GLN 34 HA GLN 34 -13.602 -1.071 -18.069 1103 1HB GLN 34 2HB GLN 34 -13.784 -0.717 -20.714 1104 2HB GLN 34 1HB GLN 34 -12.034 -0.827 -20.585 1105 1HG GLN 34 2HG GLN 34 -12.071 -3.021 -20.006 1106 2HG GLN 34 1HG GLN 34 -13.635 -2.898 -19.203 1107 1HE2 GLN 34 1HE2 GLN 34 -12.020 -3.978 -21.909 1108 2HE2 GLN 34 2HE2 GLN 34 -13.378 -4.258 -22.939 1109 H TYR 35 H TYR 35 -11.305 -2.248 -18.330 1110 HA TYR 35 HA TYR 35 -9.536 -0.775 -16.642 1111 1HB TYR 35 2HB TYR 35 -9.768 -3.162 -16.363 1112 2HB TYR 35 1HB TYR 35 -9.282 -3.446 -18.026 1113 HD1 TYR 35 1HD TYR 35 -7.310 -0.902 -16.407 1114 HD2 TYR 35 2HD TYR 35 -7.733 -5.110 -16.895 1115 HE1 TYR 35 1HE TYR 35 -4.990 -1.223 -15.661 1116 HE2 TYR 35 2HE TYR 35 -5.414 -5.435 -16.152 1117 HH TYR 35 HH TYR 35 -3.293 -4.065 -16.087 1118 H SER 36 H SER 36 -8.324 0.893 -17.461 1119 HA SER 36 HA SER 36 -6.834 0.301 -19.948 1120 1HB SER 36 2HB SER 36 -8.558 2.630 -19.297 1121 2HB SER 36 1HB SER 36 -7.047 2.973 -20.139 1122 HG SER 36 HG SER 36 -7.686 1.595 -21.786 1123 H GLU 37 H GLU 37 -4.680 0.482 -19.720 1124 HA GLU 37 HA GLU 37 -3.472 1.175 -17.281 1125 1HB GLU 37 2HB GLU 37 -2.391 -0.249 -18.993 1126 2HB GLU 37 1HB GLU 37 -2.191 1.166 -20.021 1127 1HG GLU 37 2HG GLU 37 -0.266 1.595 -19.030 1128 2HG GLU 37 1HG GLU 37 -1.113 1.832 -17.508 1129 H ALA 38 H ALA 38 -4.030 3.052 -20.223 1130 HA ALA 38 HA ALA 38 -2.596 5.359 -19.478 1131 1HB ALA 38 1HB ALA 38 -3.652 6.428 -21.249 1132 2HB ALA 38 2HB ALA 38 -5.140 5.501 -21.050 1133 3HB ALA 38 3HB ALA 38 -3.707 4.733 -21.735 1134 H LYS 39 H LYS 39 -5.643 4.050 -18.499 1135 HA LYS 39 HA LYS 39 -6.464 6.484 -17.132 1136 1HB LYS 39 2HB LYS 39 -7.758 4.077 -18.173 1137 2HB LYS 39 1HB LYS 39 -8.333 4.538 -16.585 1138 1HG LYS 39 2HG LYS 39 -9.699 5.489 -18.341 1139 2HG LYS 39 1HG LYS 39 -8.897 6.750 -17.405 1140 1HD LYS 39 2HD LYS 39 -8.519 7.498 -19.533 1141 2HD LYS 39 1HD LYS 39 -7.075 6.519 -19.275 1142 1HE LYS 39 2HE LYS 39 -8.035 4.683 -20.488 1143 2HE LYS 39 1HE LYS 39 -9.583 5.519 -20.611 1144 1HZ LYS 39 1HZ LYS 39 -8.308 7.288 -21.863 1145 2HZ LYS 39 2HZ LYS 39 -8.543 5.819 -22.668 1146 3HZ LYS 39 3HZ LYS 39 -7.041 6.171 -21.975 1147 H VAL 40 H VAL 40 -4.824 3.544 -16.485 1148 HA VAL 40 HA VAL 40 -5.600 2.838 -13.959 1149 HB VAL 40 HB VAL 40 -3.195 2.472 -15.590 1150 1HG1 VAL 40 1HG1 VAL 40 -1.967 3.318 -13.701 1151 2HG1 VAL 40 2HG1 VAL 40 -1.764 1.569 -13.809 1152 3HG1 VAL 40 3HG1 VAL 40 -2.858 2.257 -12.609 1153 1HG2 VAL 40 1HG2 VAL 40 -3.499 0.210 -15.078 1154 2HG2 VAL 40 2HG2 VAL 40 -5.119 0.896 -15.205 1155 3HG2 VAL 40 3HG2 VAL 40 -4.416 0.583 -13.618 1156 H SER 41 H SER 41 -3.837 5.678 -14.903 1157 HA SER 41 HA SER 41 -3.468 6.391 -12.065 1158 1HB SER 41 2HB SER 41 -2.056 7.488 -14.515 1159 2HB SER 41 1HB SER 41 -1.781 8.021 -12.856 1160 HG SER 41 HG SER 41 -0.533 6.109 -14.065 1161 H GLN 42 H GLN 42 -4.833 7.375 -15.132 1162 HA GLN 42 HA GLN 42 -5.609 9.982 -14.322 1163 1HB GLN 42 2HB GLN 42 -6.919 8.260 -16.430 1164 2HB GLN 42 1HB GLN 42 -7.012 10.005 -16.294 1165 1HG GLN 42 2HG GLN 42 -4.380 8.642 -16.672 1166 2HG GLN 42 1HG GLN 42 -5.437 8.975 -18.043 1167 1HE2 GLN 42 1HE2 GLN 42 -2.960 10.149 -16.192 1168 2HE2 GLN 42 2HE2 GLN 42 -3.071 11.823 -16.604 1169 H TRP 43 H TRP 43 -6.982 6.809 -14.056 1170 HA TRP 43 HA TRP 43 -9.619 7.199 -13.414 1171 1HB TRP 43 2HB TRP 43 -7.481 5.335 -12.399 1172 2HB TRP 43 1HB TRP 43 -9.068 5.310 -11.651 1173 HD1 TRP 43 HD TRP 43 -10.285 5.794 -14.861 1174 HE1 TRP 43 1HE TRP 43 -10.654 3.644 -16.148 1175 HE3 TRP 43 3HE TRP 43 -7.283 2.692 -12.132 1176 HZ2 TRP 43 2HZ TRP 43 -9.799 0.988 -16.073 1177 HZ3 TRP 43 3HZ TRP 43 -7.108 0.337 -12.827 1178 HH2 TRP 43 HH TRP 43 -8.343 -0.499 -14.760 1179 H THR 44 H THR 44 -7.038 6.882 -11.033 1180 HA THR 44 HA THR 44 -8.477 7.844 -8.855 1181 HB THR 44 HB THR 44 -6.261 6.503 -9.040 1182 HG1 THR 44 1HG THR 44 -7.037 6.736 -7.059 1183 1HG2 THR 44 1HG2 THR 44 -4.296 7.496 -9.187 1184 2HG2 THR 44 2HG2 THR 44 -4.796 8.853 -8.177 1185 3HG2 THR 44 3HG2 THR 44 -5.186 8.843 -9.897 1186 H SER 45 H SER 45 -6.974 9.600 -11.400 1187 HA SER 45 HA SER 45 -6.608 12.046 -9.951 1188 1HB SER 45 2HB SER 45 -5.895 12.977 -11.955 1189 2HB SER 45 1HB SER 45 -5.564 11.273 -12.251 1190 HG SER 45 HG SER 45 -7.040 11.256 -13.754 1191 H SER 46 H SER 46 -9.095 10.593 -11.931 1192 HA SER 46 HA SER 46 -10.860 12.814 -11.934 1193 1HB SER 46 2HB SER 46 -10.774 10.305 -13.158 1194 2HB SER 46 1HB SER 46 -12.190 10.243 -12.121 1195 HG SER 46 HG SER 46 -13.142 11.759 -13.283 1196 H CYS 47 H CYS 47 -10.243 10.124 -9.795 1197 HA CYS 47 HA CYS 47 -12.531 10.343 -8.154 1198 1HB CYS 47 2HB CYS 47 -11.188 8.368 -7.969 1199 2HB CYS 47 1HB CYS 47 -9.744 9.291 -7.683 1200 HG CYS 47 HG CYS 47 -10.173 8.914 -5.308 1201 H LEU 48 H LEU 48 -9.338 11.779 -8.117 1202 HA LEU 48 HA LEU 48 -9.599 13.184 -5.707 1203 1HB LEU 48 2HB LEU 48 -7.765 13.162 -8.015 1204 2HB LEU 48 1HB LEU 48 -7.816 14.666 -7.123 1205 HG LEU 48 HG LEU 48 -6.864 13.754 -5.238 1206 1HD1 LEU 48 1HD1 LEU 48 -6.825 11.227 -4.858 1207 2HD1 LEU 48 2HD1 LEU 48 -8.062 11.148 -6.114 1208 3HD1 LEU 48 3HD1 LEU 48 -8.360 12.064 -4.636 1209 1HD2 LEU 48 1HD2 LEU 48 -5.815 12.095 -7.521 1210 2HD2 LEU 48 2HD2 LEU 48 -5.059 12.166 -5.930 1211 3HD2 LEU 48 3HD2 LEU 48 -5.176 13.623 -6.917 1212 H GLU 49 H GLU 49 -10.576 13.901 -9.002 1213 HA GLU 49 HA GLU 49 -11.324 16.590 -8.280 1214 1HB GLU 49 2HB GLU 49 -10.706 15.909 -10.647 1215 2HB GLU 49 1HB GLU 49 -12.307 15.172 -10.735 1216 1HG GLU 49 2HG GLU 49 -13.106 17.482 -9.859 1217 2HG GLU 49 1HG GLU 49 -11.568 18.053 -10.480 1218 H HIS 50 H HIS 50 -12.783 13.438 -8.468 1219 HA HIS 50 HA HIS 50 -15.455 14.427 -7.963 1220 1HB HIS 50 2HB HIS 50 -14.253 11.674 -8.213 1221 2HB HIS 50 1HB HIS 50 -15.908 11.907 -7.661 1222 HD1 HIS 50 1HD HIS 50 -17.409 13.409 -9.444 1223 HD2 HIS 50 2HD HIS 50 -14.051 11.440 -10.898 1224 HE1 HIS 50 1HE HIS 50 -17.733 13.276 -11.934 1225 HE2 HIS 50 2HE HIS 50 -15.722 12.020 -12.785 1226 H CYS 51 H CYS 51 -12.802 14.278 -6.065 1227 HA CYS 51 HA CYS 51 -14.273 13.513 -3.632 1228 1HB CYS 51 2HB CYS 51 -12.031 12.335 -4.258 1229 2HB CYS 51 1HB CYS 51 -11.271 13.869 -3.849 1230 HG CYS 51 HG CYS 51 -12.969 12.906 -1.558 1231 H ILE 52 H ILE 52 -11.924 15.740 -5.018 1232 HA ILE 52 HA ILE 52 -11.973 17.705 -3.042 1233 HB ILE 52 HB ILE 52 -10.341 17.492 -4.911 1234 1HG1 ILE 52 2HG1 ILE 52 -10.459 19.518 -3.556 1235 2HG1 ILE 52 1HG1 ILE 52 -9.902 19.815 -5.197 1236 1HG2 ILE 52 1HG2 ILE 52 -12.157 19.045 -6.668 1237 2HG2 ILE 52 2HG2 ILE 52 -12.245 17.285 -6.637 1238 3HG2 ILE 52 3HG2 ILE 52 -10.740 18.083 -7.082 1239 1HD1 ILE 52 1HD1 ILE 52 -12.545 20.229 -5.451 1240 2HD1 ILE 52 2HD1 ILE 52 -11.351 21.486 -5.136 1241 3HD1 ILE 52 3HD1 ILE 52 -12.260 20.777 -3.803 1242 H LYS 53 H LYS 53 -14.048 17.194 -5.865 1243 HA LYS 53 HA LYS 53 -15.495 19.622 -5.644 1244 1HB LYS 53 2HB LYS 53 -15.789 17.072 -7.139 1245 2HB LYS 53 1HB LYS 53 -17.253 18.014 -6.912 1246 1HG LYS 53 2HG LYS 53 -16.066 18.440 -9.055 1247 2HG LYS 53 1HG LYS 53 -16.324 19.876 -8.076 1248 1HD LYS 53 2HD LYS 53 -13.795 18.515 -7.562 1249 2HD LYS 53 1HD LYS 53 -13.953 19.148 -9.198 1250 1HE LYS 53 2HE LYS 53 -14.696 21.329 -8.097 1251 2HE LYS 53 1HE LYS 53 -14.087 20.643 -6.596 1252 1HZ LYS 53 1HZ LYS 53 -11.972 20.956 -7.220 1253 2HZ LYS 53 2HZ LYS 53 -12.613 22.067 -8.323 1254 3HZ LYS 53 3HZ LYS 53 -12.250 20.493 -8.824 1255 H ARG 54 H ARG 54 -15.854 16.437 -4.236 1256 HA ARG 54 HA ARG 54 -18.468 16.952 -3.144 1257 1HB ARG 54 2HB ARG 54 -17.573 14.666 -3.742 1258 2HB ARG 54 1HB ARG 54 -16.543 14.778 -2.322 1259 1HG ARG 54 2HG ARG 54 -18.223 13.795 -1.234 1260 2HG ARG 54 1HG ARG 54 -19.013 15.369 -1.299 1261 1HD ARG 54 2HD ARG 54 -20.662 14.437 -2.446 1262 2HD ARG 54 1HD ARG 54 -19.540 14.149 -3.771 1263 HE ARG 54 HE ARG 54 -20.493 12.224 -1.814 1264 1HH1 ARG 54 1HH1 ARG 54 -18.196 12.888 -4.373 1265 2HH1 ARG 54 2HH1 ARG 54 -17.907 11.216 -4.703 1266 1HH2 ARG 54 1HH2 ARG 54 -20.098 10.036 -2.256 1267 2HH2 ARG 54 2HH2 ARG 54 -18.980 9.601 -3.505 1268 H LEU 55 H LEU 55 -15.167 16.933 -1.954 1269 HA LEU 55 HA LEU 55 -15.591 17.259 0.762 1270 1HB LEU 55 2HB LEU 55 -13.410 17.907 -1.150 1271 2HB LEU 55 1HB LEU 55 -13.352 18.757 0.377 1272 HG LEU 55 HG LEU 55 -11.995 16.975 0.834 1273 1HD1 LEU 55 1HD1 LEU 55 -14.220 17.001 2.213 1274 2HD1 LEU 55 2HD1 LEU 55 -12.998 15.749 2.443 1275 3HD1 LEU 55 3HD1 LEU 55 -14.425 15.420 1.460 1276 1HD2 LEU 55 1HD2 LEU 55 -12.356 15.902 -1.372 1277 2HD2 LEU 55 2HD2 LEU 55 -13.777 15.103 -0.699 1278 3HD2 LEU 55 3HD2 LEU 55 -12.179 14.762 -0.039 1279 H THR 56 H THR 56 -15.384 19.647 -1.785 1280 HA THR 56 HA THR 56 -15.744 21.879 -0.044 1281 HB THR 56 HB THR 56 -15.578 23.207 -1.974 1282 HG1 THR 56 1HG THR 56 -17.132 22.436 -3.298 1283 1HG2 THR 56 1HG2 THR 56 -13.838 20.899 -1.862 1284 2HG2 THR 56 2HG2 THR 56 -13.472 22.568 -2.269 1285 3HG2 THR 56 3HG2 THR 56 -14.057 21.470 -3.514 1286 H ALA 57 H ALA 57 -17.821 19.771 -1.888 1287 HA ALA 57 HA ALA 57 -20.144 21.382 -1.897 1288 1HB ALA 57 1HB ALA 57 -21.344 19.393 -2.459 1289 2HB ALA 57 2HB ALA 57 -20.062 18.368 -1.815 1290 3HB ALA 57 3HB ALA 57 -19.785 19.313 -3.277 1291 H LEU 58 H LEU 58 -18.695 19.185 0.417 1292 HA LEU 58 HA LEU 58 -20.904 19.475 2.284 1293 1HB LEU 58 2HB LEU 58 -18.612 17.679 1.937 1294 2HB LEU 58 1HB LEU 58 -18.914 18.119 3.603 1295 HG LEU 58 HG LEU 58 -21.316 17.377 3.232 1296 1HD1 LEU 58 1HD1 LEU 58 -20.779 17.390 0.637 1297 2HD1 LEU 58 2HD1 LEU 58 -21.964 16.292 1.342 1298 3HD1 LEU 58 3HD1 LEU 58 -20.337 15.717 0.977 1299 1HD2 LEU 58 1HD2 LEU 58 -18.902 15.686 3.415 1300 2HD2 LEU 58 2HD2 LEU 58 -20.419 14.856 3.071 1301 3HD2 LEU 58 3HD2 LEU 58 -20.264 15.847 4.522 1302 H ASN 59 H ASN 59 -17.801 20.834 1.604 1303 HA ASN 59 HA ASN 59 -16.441 22.301 2.650 1304 1HB ASN 59 2HB ASN 59 -17.546 24.287 3.539 1305 2HB ASN 59 1HB ASN 59 -18.320 23.748 2.054 1306 1HD2 ASN 59 1HD2 ASN 59 -20.361 22.755 2.175 1307 2HD2 ASN 59 2HD2 ASN 59 -21.392 22.990 3.542 1308 H LYS 60 H LYS 60 -15.323 21.017 4.069 1309 HA LYS 60 HA LYS 60 -15.409 21.729 6.767 1310 1HB LYS 60 2HB LYS 60 -17.430 19.990 6.300 1311 2HB LYS 60 1HB LYS 60 -16.138 18.866 6.698 1312 1HG LYS 60 2HG LYS 60 -16.098 19.467 8.867 1313 2HG LYS 60 1HG LYS 60 -16.439 21.162 8.517 1314 1HD LYS 60 2HD LYS 60 -18.457 20.683 9.396 1315 2HD LYS 60 1HD LYS 60 -18.783 20.014 7.795 1316 1HE LYS 60 2HE LYS 60 -19.395 18.235 9.089 1317 2HE LYS 60 1HE LYS 60 -17.689 17.861 8.853 1318 1HZ LYS 60 1HZ LYS 60 -17.976 17.611 11.116 1319 2HZ LYS 60 2HZ LYS 60 -19.032 18.926 11.250 1320 3HZ LYS 60 3HZ LYS 60 -17.379 19.191 11.014 1321 HA PRO 61 HA PRO 61 -13.889 22.580 7.371 1322 1HB PRO 61 2HB PRO 61 -11.338 23.469 7.448 1323 2HB PRO 61 1HB PRO 61 -12.041 22.439 8.688 1324 1HG PRO 61 2HG PRO 61 -10.026 21.801 6.669 1325 2HG PRO 61 1HG PRO 61 -10.449 20.925 8.146 1326 1HD PRO 61 2HD PRO 61 -11.224 20.352 5.428 1327 2HD PRO 61 1HD PRO 61 -11.572 19.420 6.895 1328 H PHE 62 H PHE 62 -11.003 22.974 5.355 1329 HA PHE 62 HA PHE 62 -12.559 24.307 3.282 1330 1HB PHE 62 2HB PHE 62 -10.345 25.623 4.865 1331 2HB PHE 62 1HB PHE 62 -10.938 26.241 3.328 1332 HD1 PHE 62 1HD PHE 62 -11.474 26.068 6.873 1333 HD2 PHE 62 2HD PHE 62 -13.335 26.959 3.150 1334 HE1 PHE 62 1HE PHE 62 -13.247 27.297 8.057 1335 HE2 PHE 62 2HE PHE 62 -15.110 28.191 4.327 1336 HZ PHE 62 HZ PHE 62 -15.067 28.361 6.785 1337 H LYS 63 H LYS 63 -9.096 24.258 4.080 1338 HA LYS 63 HA LYS 63 -8.312 23.648 1.432 1339 1HB LYS 63 2HB LYS 63 -6.831 24.811 2.999 1340 2HB LYS 63 1HB LYS 63 -6.763 23.380 4.017 1341 1HG LYS 63 2HG LYS 63 -5.591 22.156 2.324 1342 2HG LYS 63 1HG LYS 63 -5.799 23.472 1.168 1343 1HD LYS 63 2HD LYS 63 -4.317 24.878 2.348 1344 2HD LYS 63 1HD LYS 63 -4.352 23.843 3.777 1345 1HE LYS 63 2HE LYS 63 -2.272 23.719 2.326 1346 2HE LYS 63 1HE LYS 63 -3.041 22.188 2.741 1347 1HZ LYS 63 1HZ LYS 63 -2.375 22.383 0.377 1348 2HZ LYS 63 2HZ LYS 63 -3.501 23.630 0.189 1349 3HZ LYS 63 3HZ LYS 63 -4.025 22.073 0.589 1350 H TYR 64 H TYR 64 -9.307 21.799 0.692 1351 HA TYR 64 HA TYR 64 -8.867 19.325 2.191 1352 1HB TYR 64 2HB TYR 64 -10.430 19.307 -0.342 1353 2HB TYR 64 1HB TYR 64 -10.711 18.437 1.160 1354 HD1 TYR 64 1HD TYR 64 -11.535 19.873 3.177 1355 HD2 TYR 64 2HD TYR 64 -11.764 21.130 -0.882 1356 HE1 TYR 64 1HE TYR 64 -13.275 21.501 3.784 1357 HE2 TYR 64 2HE TYR 64 -13.504 22.761 -0.284 1358 HH TYR 64 HH TYR 64 -14.118 24.034 2.004 1359 H VAL 65 H VAL 65 -7.061 18.268 1.729 1360 HA VAL 65 HA VAL 65 -6.071 18.332 -1.030 1361 HB VAL 65 HB VAL 65 -4.351 19.189 0.350 1362 1HG1 VAL 65 1HG1 VAL 65 -5.137 18.611 2.500 1363 2HG1 VAL 65 2HG1 VAL 65 -3.523 17.924 2.322 1364 3HG1 VAL 65 3HG1 VAL 65 -4.945 16.893 2.163 1365 1HG2 VAL 65 1HG2 VAL 65 -2.550 17.663 0.113 1366 2HG2 VAL 65 2HG2 VAL 65 -3.643 17.377 -1.242 1367 3HG2 VAL 65 3HG2 VAL 65 -3.639 16.277 0.138 1368 H VAL 66 H VAL 66 -7.236 16.688 -1.905 1369 HA VAL 66 HA VAL 66 -7.240 14.069 -0.621 1370 HB VAL 66 HB VAL 66 -8.433 14.786 -3.301 1371 1HG1 VAL 66 1HG1 VAL 66 -8.064 12.362 -2.436 1372 2HG1 VAL 66 2HG1 VAL 66 -9.602 12.805 -3.178 1373 3HG1 VAL 66 3HG1 VAL 66 -9.465 12.710 -1.421 1374 1HG2 VAL 66 1HG2 VAL 66 -9.405 16.323 -1.743 1375 2HG2 VAL 66 2HG2 VAL 66 -9.670 15.038 -0.564 1376 3HG2 VAL 66 3HG2 VAL 66 -10.588 15.056 -2.069 1377 H THR 67 H THR 67 -5.728 12.564 -1.110 1378 HA THR 67 HA THR 67 -4.455 12.717 -3.744 1379 HB THR 67 HB THR 67 -2.858 13.789 -2.357 1380 HG1 THR 67 1HG THR 67 -1.166 12.500 -2.729 1381 1HG2 THR 67 1HG2 THR 67 -2.388 13.351 -0.228 1382 2HG2 THR 67 2HG2 THR 67 -2.382 11.607 -0.485 1383 3HG2 THR 67 3HG2 THR 67 -3.909 12.461 -0.253 1384 H CYS 68 H CYS 68 -3.807 10.863 -4.660 1385 HA CYS 68 HA CYS 68 -4.377 8.363 -3.228 1386 1HB CYS 68 2HB CYS 68 -5.340 9.244 -5.939 1387 2HB CYS 68 1HB CYS 68 -5.224 7.543 -5.518 1388 HG CYS 68 HG CYS 68 -7.574 8.019 -4.848 1389 H ILE 69 H ILE 69 -3.236 6.522 -4.025 1390 HA ILE 69 HA ILE 69 -1.045 7.056 -5.892 1391 HB ILE 69 HB ILE 69 -0.670 5.840 -3.151 1392 1HG1 ILE 69 2HG1 ILE 69 1.094 7.850 -3.245 1393 2HG1 ILE 69 1HG1 ILE 69 -0.123 8.504 -4.336 1394 1HG2 ILE 69 1HG2 ILE 69 1.236 6.106 -5.458 1395 2HG2 ILE 69 2HG2 ILE 69 0.748 4.636 -4.615 1396 3HG2 ILE 69 3HG2 ILE 69 1.760 5.827 -3.798 1397 1HD1 ILE 69 1HD1 ILE 69 -0.103 8.477 -1.503 1398 2HD1 ILE 69 2HD1 ILE 69 -1.464 7.502 -2.058 1399 3HD1 ILE 69 3HD1 ILE 69 -1.301 9.174 -2.595 1400 H ILE 70 H ILE 70 -1.049 5.551 -7.411 1401 HA ILE 70 HA ILE 70 -2.582 3.124 -7.061 1402 HB ILE 70 HB ILE 70 -2.028 2.711 -9.450 1403 1HG1 ILE 70 2HG1 ILE 70 -0.999 5.466 -9.779 1404 2HG1 ILE 70 1HG1 ILE 70 0.117 4.317 -9.047 1405 1HG2 ILE 70 1HG2 ILE 70 -4.067 3.773 -9.151 1406 2HG2 ILE 70 2HG2 ILE 70 -3.229 4.849 -10.269 1407 3HG2 ILE 70 3HG2 ILE 70 -3.322 5.257 -8.556 1408 1HD1 ILE 70 1HD1 ILE 70 -1.067 4.326 -11.782 1409 2HD1 ILE 70 2HD1 ILE 70 -0.528 2.811 -11.056 1410 3HD1 ILE 70 3HD1 ILE 70 0.614 4.137 -11.283 1411 H MET 71 H MET 71 -1.846 1.064 -7.062 1412 HA MET 71 HA MET 71 1.071 0.664 -7.000 1413 1HB MET 71 2HB MET 71 -1.007 -0.741 -5.310 1414 2HB MET 71 1HB MET 71 0.715 -1.094 -5.311 1415 1HG MET 71 2HG MET 71 1.062 1.319 -4.618 1416 2HG MET 71 1HG MET 71 -0.675 1.373 -4.323 1417 1HE MET 71 1HE MET 71 2.649 0.190 -1.846 1418 2HE MET 71 2HE MET 71 1.641 1.560 -1.381 1419 3HE MET 71 3HE MET 71 2.305 1.467 -3.012 1420 H GLN 72 H GLN 72 1.617 -0.410 -8.773 1421 HA GLN 72 HA GLN 72 -0.073 -1.852 -10.442 1422 1HB GLN 72 2HB GLN 72 2.405 -0.972 -10.726 1423 2HB GLN 72 1HB GLN 72 2.804 -2.623 -10.271 1424 1HG GLN 72 2HG GLN 72 2.173 -3.450 -12.248 1425 2HG GLN 72 1HG GLN 72 0.745 -2.419 -12.336 1426 1HE2 GLN 72 1HE2 GLN 72 0.898 -0.401 -13.295 1427 2HE2 GLN 72 2HE2 GLN 72 2.243 0.056 -14.280 1428 H LYS 73 H LYS 73 -0.698 -3.932 -10.613 1429 HA LYS 73 HA LYS 73 -1.397 -5.949 -9.807 1430 1HB LYS 73 2HB LYS 73 0.331 -7.594 -9.722 1431 2HB LYS 73 1HB LYS 73 0.782 -6.407 -10.933 1432 1HG LYS 73 2HG LYS 73 1.845 -5.918 -8.231 1433 2HG LYS 73 1HG LYS 73 2.449 -7.357 -9.049 1434 1HD LYS 73 2HD LYS 73 2.354 -4.742 -10.496 1435 2HD LYS 73 1HD LYS 73 3.671 -5.083 -9.372 1436 1HE LYS 73 2HE LYS 73 3.753 -7.349 -10.738 1437 2HE LYS 73 1HE LYS 73 3.015 -6.343 -11.983 1438 1HZ LYS 73 1HZ LYS 73 5.610 -5.872 -10.621 1439 2HZ LYS 73 2HZ LYS 73 4.882 -4.772 -11.679 1440 3HZ LYS 73 3HZ LYS 73 5.374 -6.288 -12.244 1441 H ASN 74 H ASN 74 -0.411 -7.708 -7.896 1442 HA ASN 74 HA ASN 74 -0.813 -6.182 -5.407 1443 1HB ASN 74 2HB ASN 74 -1.845 -8.286 -4.508 1444 2HB ASN 74 1HB ASN 74 -2.754 -7.536 -5.817 1445 1HD2 ASN 74 1HD2 ASN 74 -0.428 -10.080 -5.090 1446 2HD2 ASN 74 2HD2 ASN 74 -0.908 -11.134 -6.372 1447 H GLY 75 H GLY 75 1.739 -6.413 -6.305 1448 1HA GLY 75 2HA GLY 75 2.950 -7.948 -4.176 1449 2HA GLY 75 1HA GLY 75 3.323 -8.540 -5.788 1450 H ALA 76 H ALA 76 2.824 -5.143 -5.212 1451 HA ALA 76 HA ALA 76 5.676 -4.692 -5.765 1452 1HB ALA 76 1HB ALA 76 4.646 -2.274 -6.173 1453 2HB ALA 76 2HB ALA 76 3.194 -3.231 -6.465 1454 3HB ALA 76 3HB ALA 76 4.648 -3.522 -7.419 1455 H GLY 77 H GLY 77 6.934 -3.451 -4.439 1456 1HA GLY 77 2HA GLY 77 5.745 -2.780 -1.832 1457 2HA GLY 77 1HA GLY 77 7.451 -3.079 -2.127 1458 H LEU 78 H LEU 78 5.303 -0.734 -1.402 1459 HA LEU 78 HA LEU 78 7.103 1.348 -2.410 1460 1HB LEU 78 2HB LEU 78 4.790 0.934 -3.692 1461 2HB LEU 78 1HB LEU 78 4.200 1.968 -2.405 1462 HG LEU 78 HG LEU 78 4.687 3.323 -4.328 1463 1HD1 LEU 78 1HD1 LEU 78 7.065 3.953 -2.686 1464 2HD1 LEU 78 2HD1 LEU 78 5.509 3.902 -1.856 1465 3HD1 LEU 78 3HD1 LEU 78 5.745 4.993 -3.222 1466 1HD2 LEU 78 1HD2 LEU 78 6.273 1.793 -5.410 1467 2HD2 LEU 78 2HD2 LEU 78 7.489 2.213 -4.203 1468 3HD2 LEU 78 3HD2 LEU 78 6.898 3.440 -5.324 1469 H HIS 79 H HIS 79 7.509 2.955 -0.987 1470 HA HIS 79 HA HIS 79 5.833 3.151 1.417 1471 1HB HIS 79 2HB HIS 79 8.854 2.983 1.379 1472 2HB HIS 79 1HB HIS 79 7.893 3.391 2.795 1473 HD1 HIS 79 1HD HIS 79 7.237 1.481 4.233 1474 HD2 HIS 79 2HD HIS 79 8.212 0.267 0.380 1475 HE1 HIS 79 1HE HIS 79 7.145 -1.032 4.277 1476 HE2 HIS 79 2HE HIS 79 7.649 -1.740 1.911 1477 H THR 80 H THR 80 5.215 5.172 1.787 1478 HA THR 80 HA THR 80 6.720 7.350 0.507 1479 HB THR 80 HB THR 80 3.904 7.513 1.574 1480 HG1 THR 80 1HG THR 80 3.616 6.060 0.027 1481 1HG2 THR 80 1HG2 THR 80 5.601 9.457 0.527 1482 2HG2 THR 80 2HG2 THR 80 3.863 9.581 0.801 1483 3HG2 THR 80 3HG2 THR 80 4.473 9.066 -0.771 1484 H ALA 81 H ALA 81 7.236 9.224 1.654 1485 HA ALA 81 HA ALA 81 6.811 9.159 4.563 1486 1HB ALA 81 1HB ALA 81 9.476 9.759 3.285 1487 2HB ALA 81 2HB ALA 81 9.054 8.228 4.052 1488 3HB ALA 81 3HB ALA 81 9.113 9.707 5.010 1489 H ALA 82 H ALA 82 6.627 11.170 5.546 1490 HA ALA 82 HA ALA 82 7.259 13.561 4.105 1491 1HB ALA 82 1HB ALA 82 5.103 14.476 3.832 1492 2HB ALA 82 2HB ALA 82 4.356 13.142 4.712 1493 3HB ALA 82 3HB ALA 82 5.071 12.861 3.124 1494 H SER 83 H SER 83 7.819 15.101 5.423 1495 HA SER 83 HA SER 83 7.243 14.804 8.272 1496 1HB SER 83 2HB SER 83 9.579 15.108 7.745 1497 2HB SER 83 1HB SER 83 9.223 16.514 6.743 1498 HG SER 83 HG SER 83 8.561 17.608 8.626 1499 H CYS 84 H CYS 84 5.560 15.888 9.073 1500 HA CYS 84 HA CYS 84 4.647 18.301 7.677 1501 1HB CYS 84 2HB CYS 84 3.281 16.048 8.741 1502 2HB CYS 84 1HB CYS 84 2.761 17.470 9.638 1503 HG CYS 84 HG CYS 84 2.615 17.702 6.578 1504 H TRP 85 H TRP 85 4.721 20.244 8.612 1505 HA TRP 85 HA TRP 85 6.027 20.514 11.154 1506 1HB TRP 85 2HB TRP 85 5.916 22.077 8.930 1507 2HB TRP 85 1HB TRP 85 4.764 22.906 9.974 1508 HD1 TRP 85 HD TRP 85 8.149 21.260 10.897 1509 HE1 TRP 85 1HE TRP 85 9.589 23.024 12.085 1510 HE3 TRP 85 3HE TRP 85 4.999 25.269 10.518 1511 HZ2 TRP 85 2HZ TRP 85 9.419 25.759 12.776 1512 HZ3 TRP 85 3HZ TRP 85 5.713 27.423 11.469 1513 HH2 TRP 85 HH TRP 85 7.877 27.661 12.575 1514 H TRP 86 H TRP 86 2.745 20.665 9.976 1515 HA TRP 86 HA TRP 86 1.836 21.291 12.710 1516 1HB TRP 86 2HB TRP 86 0.497 21.972 10.083 1517 2HB TRP 86 1HB TRP 86 -0.210 22.245 11.672 1518 HD1 TRP 86 HD TRP 86 2.051 23.818 9.146 1519 HE1 TRP 86 1HE TRP 86 2.968 26.044 10.055 1520 HE3 TRP 86 3HE TRP 86 0.594 23.364 14.025 1521 HZ2 TRP 86 2HZ TRP 86 3.061 27.425 12.515 1522 HZ3 TRP 86 3HZ TRP 86 1.136 25.182 15.591 1523 HH2 TRP 86 HH TRP 86 2.345 27.170 14.851 1524 H ASP 87 H ASP 87 -0.532 20.501 13.013 1525 HA ASP 87 HA ASP 87 -1.293 18.152 11.560 1526 1HB ASP 87 2HB ASP 87 0.609 17.628 13.402 1527 2HB ASP 87 1HB ASP 87 -0.829 17.483 14.408 1528 H SER 88 H SER 88 -1.647 19.973 14.583 1529 HA SER 88 HA SER 88 -4.248 19.123 15.205 1530 1HB SER 88 2HB SER 88 -4.227 21.541 16.353 1531 2HB SER 88 1HB SER 88 -3.320 20.179 17.011 1532 HG SER 88 HG SER 88 -1.572 21.267 16.654 1533 H THR 89 H THR 89 -3.076 21.575 13.013 1534 HA THR 89 HA THR 89 -5.834 22.446 12.492 1535 HB THR 89 HB THR 89 -4.221 24.218 13.054 1536 HG1 THR 89 1HG THR 89 -5.580 25.201 11.794 1537 1HG2 THR 89 1HG2 THR 89 -2.206 24.438 12.169 1538 2HG2 THR 89 2HG2 THR 89 -2.834 24.280 10.527 1539 3HG2 THR 89 3HG2 THR 89 -2.432 22.839 11.461 1540 H THR 90 H THR 90 -3.228 20.655 11.127 1541 HA THR 90 HA THR 90 -4.291 20.894 8.433 1542 HB THR 90 HB THR 90 -2.291 19.438 7.865 1543 HG1 THR 90 1HG THR 90 -1.443 20.108 10.477 1544 1HG2 THR 90 1HG2 THR 90 -0.832 21.208 7.736 1545 2HG2 THR 90 2HG2 THR 90 -1.344 21.882 9.283 1546 3HG2 THR 90 3HG2 THR 90 -2.387 22.028 7.868 1547 H ASP 91 H ASP 91 -5.872 19.543 10.433 1548 HA ASP 91 HA ASP 91 -7.227 17.733 10.602 1549 1HB ASP 91 2HB ASP 91 -6.874 18.039 7.937 1550 2HB ASP 91 1HB ASP 91 -6.274 16.400 8.151 1551 H GLY 92 H GLY 92 -4.472 16.269 8.896 1552 1HA GLY 92 2HA GLY 92 -2.858 15.110 10.518 1553 2HA GLY 92 1HA GLY 92 -4.313 14.306 11.088 1554 H SER 93 H SER 93 -5.006 14.636 7.963 1555 HA SER 93 HA SER 93 -4.959 13.330 6.135 1556 1HB SER 93 2HB SER 93 -2.256 12.475 7.194 1557 2HB SER 93 1HB SER 93 -2.865 12.129 5.578 1558 HG SER 93 HG SER 93 -1.577 13.973 5.523 1559 H ARG 94 H ARG 94 -5.910 11.476 5.577 1560 HA ARG 94 HA ARG 94 -5.631 9.123 7.311 1561 1HB ARG 94 2HB ARG 94 -7.875 10.760 7.400 1562 2HB ARG 94 1HB ARG 94 -8.364 9.452 6.333 1563 1HG ARG 94 2HG ARG 94 -9.004 8.719 8.438 1564 2HG ARG 94 1HG ARG 94 -7.469 7.892 8.162 1565 1HD ARG 94 2HD ARG 94 -6.521 10.071 9.342 1566 2HD ARG 94 1HD ARG 94 -8.139 10.091 10.043 1567 HE ARG 94 HE ARG 94 -7.350 7.549 10.459 1568 1HH1 ARG 94 1HH1 ARG 94 -5.817 10.622 11.133 1569 2HH1 ARG 94 2HH1 ARG 94 -4.955 10.026 12.511 1570 1HH2 ARG 94 1HH2 ARG 94 -6.214 6.775 12.270 1571 2HH2 ARG 94 2HH2 ARG 94 -5.180 7.846 13.156 1572 H THR 95 H THR 95 -5.206 7.348 6.109 1573 HA THR 95 HA THR 95 -5.694 7.529 3.236 1574 HB THR 95 HB THR 95 -3.372 7.077 4.252 1575 HG1 THR 95 1HG THR 95 -4.524 5.622 2.129 1576 1HG2 THR 95 1HG2 THR 95 -4.480 4.977 5.484 1577 2HG2 THR 95 2HG2 THR 95 -2.781 5.060 5.017 1578 3HG2 THR 95 3HG2 THR 95 -3.938 4.210 3.992 1579 H VAL 96 H VAL 96 -6.510 5.809 2.003 1580 HA VAL 96 HA VAL 96 -8.007 3.758 3.496 1581 HB VAL 96 HB VAL 96 -9.134 5.340 1.178 1582 1HG1 VAL 96 1HG1 VAL 96 -9.951 3.037 1.300 1583 2HG1 VAL 96 2HG1 VAL 96 -11.226 4.199 1.670 1584 3HG1 VAL 96 3HG1 VAL 96 -10.445 3.302 2.973 1585 1HG2 VAL 96 1HG2 VAL 96 -9.668 5.549 4.132 1586 2HG2 VAL 96 2HG2 VAL 96 -10.732 6.223 2.896 1587 3HG2 VAL 96 3HG2 VAL 96 -9.074 6.805 3.045 1588 H ARG 97 H ARG 97 -7.241 1.835 2.800 1589 HA ARG 97 HA ARG 97 -5.981 1.609 0.211 1590 1HB ARG 97 2HB ARG 97 -6.492 -0.389 2.416 1591 2HB ARG 97 1HB ARG 97 -5.684 -0.802 0.910 1592 1HG ARG 97 2HG ARG 97 -4.537 1.529 2.234 1593 2HG ARG 97 1HG ARG 97 -4.464 0.059 3.206 1594 1HD ARG 97 2HD ARG 97 -3.718 -0.263 0.378 1595 2HD ARG 97 1HD ARG 97 -2.635 0.752 1.329 1596 HE ARG 97 HE ARG 97 -3.029 -1.486 2.856 1597 1HH1 ARG 97 1HH1 ARG 97 -1.831 -0.872 -0.374 1598 2HH1 ARG 97 2HH1 ARG 97 -0.782 -2.249 -0.376 1599 1HH2 ARG 97 1HH2 ARG 97 -1.648 -3.292 2.846 1600 2HH2 ARG 97 2HH2 ARG 97 -0.677 -3.621 1.448 1601 H TRP 98 H TRP 98 -7.236 1.512 -1.527 1602 HA TRP 98 HA TRP 98 -9.646 -0.196 -1.469 1603 1HB TRP 98 2HB TRP 98 -9.339 2.507 -2.156 1604 2HB TRP 98 1HB TRP 98 -9.470 1.678 -3.699 1605 HD1 TRP 98 HD TRP 98 -11.832 2.332 -4.400 1606 HE1 TRP 98 1HE TRP 98 -14.192 2.020 -3.445 1607 HE3 TRP 98 3HE TRP 98 -10.583 0.547 0.209 1608 HZ2 TRP 98 2HZ TRP 98 -15.368 1.125 -1.040 1609 HZ3 TRP 98 3HZ TRP 98 -12.384 -0.016 1.784 1610 HH2 TRP 98 HH TRP 98 -14.729 0.270 1.171 1611 H GLU 99 H GLU 99 -9.886 -1.727 -3.072 1612 HA GLU 99 HA GLU 99 -7.863 -1.889 -5.182 1613 1HB GLU 99 2HB GLU 99 -8.608 -4.164 -3.341 1614 2HB GLU 99 1HB GLU 99 -7.594 -4.315 -4.767 1615 1HG GLU 99 2HG GLU 99 -5.940 -4.098 -3.272 1616 2HG GLU 99 1HG GLU 99 -6.272 -2.380 -3.473 1617 H ASN 100 H ASN 100 -8.473 -3.610 -6.826 1618 HA ASN 100 HA ASN 100 -11.398 -3.827 -7.052 1619 1HB ASN 100 2HB ASN 100 -10.908 -3.662 -9.615 1620 2HB ASN 100 1HB ASN 100 -11.020 -2.196 -8.649 1621 1HD2 ASN 100 1HD2 ASN 100 -9.196 -3.893 -10.857 1622 2HD2 ASN 100 2HD2 ASN 100 -7.714 -3.016 -10.712 1623 H LYS 101 H LYS 101 -8.479 -5.035 -8.714 1624 HA LYS 101 HA LYS 101 -9.389 -7.769 -8.238 1625 1HB LYS 101 2HB LYS 101 -10.358 -7.257 -10.388 1626 2HB LYS 101 1HB LYS 101 -8.838 -6.599 -10.972 1627 1HG LYS 101 2HG LYS 101 -8.582 -9.353 -10.077 1628 2HG LYS 101 1HG LYS 101 -9.778 -9.164 -11.360 1629 1HD LYS 101 2HD LYS 101 -6.935 -8.153 -11.464 1630 2HD LYS 101 1HD LYS 101 -7.520 -9.626 -12.239 1631 1HE LYS 101 2HE LYS 101 -9.207 -8.129 -13.427 1632 2HE LYS 101 1HE LYS 101 -8.228 -6.774 -12.866 1633 1HZ LYS 101 1HZ LYS 101 -7.822 -8.014 -15.176 1634 2HZ LYS 101 2HZ LYS 101 -6.790 -8.921 -14.192 1635 3HZ LYS 101 3HZ LYS 101 -6.587 -7.246 -14.311 1636 H SER 102 H SER 102 -6.889 -5.711 -9.686 1637 HA SER 102 HA SER 102 -4.855 -7.404 -8.418 1638 1HB SER 102 2HB SER 102 -4.993 -8.089 -10.779 1639 2HB SER 102 1HB SER 102 -4.726 -6.420 -11.280 1640 HG SER 102 HG SER 102 -2.936 -8.299 -10.356 1641 H MET 103 H MET 103 -5.500 -4.367 -10.134 1642 HA MET 103 HA MET 103 -3.181 -3.040 -9.144 1643 1HB MET 103 2HB MET 103 -4.259 -2.341 -11.219 1644 2HB MET 103 1HB MET 103 -5.727 -1.935 -10.341 1645 1HG MET 103 2HG MET 103 -4.582 0.084 -10.798 1646 2HG MET 103 1HG MET 103 -4.412 -0.239 -9.075 1647 1HE MET 103 1HE MET 103 -1.449 -1.624 -12.092 1648 2HE MET 103 2HE MET 103 -1.728 0.078 -12.462 1649 3HE MET 103 3HE MET 103 -3.087 -1.046 -12.403 1650 H TYR 104 H TYR 104 -2.873 -2.426 -7.107 1651 HA TYR 104 HA TYR 104 -5.176 -2.031 -5.345 1652 1HB TYR 104 2HB TYR 104 -2.220 -2.376 -4.925 1653 2HB TYR 104 1HB TYR 104 -3.203 -1.661 -3.653 1654 HD1 TYR 104 1HD TYR 104 -4.186 -4.394 -5.972 1655 HD2 TYR 104 2HD TYR 104 -3.114 -3.324 -1.996 1656 HE1 TYR 104 1HE TYR 104 -4.816 -6.643 -5.203 1657 HE2 TYR 104 2HE TYR 104 -3.741 -5.569 -1.216 1658 HH TYR 104 HH TYR 104 -5.510 -7.456 -2.268 1659 H CYS 105 H CYS 105 -5.989 -0.060 -5.014 1660 HA CYS 105 HA CYS 105 -4.251 2.257 -5.558 1661 1HB CYS 105 2HB CYS 105 -6.462 3.468 -5.952 1662 2HB CYS 105 1HB CYS 105 -5.967 2.300 -7.172 1663 HG CYS 105 HG CYS 105 -8.429 1.809 -6.739 1664 H ILE 106 H ILE 106 -3.602 3.212 -3.773 1665 HA ILE 106 HA ILE 106 -5.259 3.120 -1.369 1666 HB ILE 106 HB ILE 106 -2.987 2.630 -0.887 1667 1HG1 ILE 106 2HG1 ILE 106 -2.824 5.499 -0.126 1668 2HG1 ILE 106 1HG1 ILE 106 -4.231 4.607 0.443 1669 1HG2 ILE 106 1HG2 ILE 106 -1.227 4.464 -1.466 1670 2HG2 ILE 106 2HG2 ILE 106 -2.395 4.900 -2.713 1671 3HG2 ILE 106 3HG2 ILE 106 -1.713 3.273 -2.673 1672 1HD1 ILE 106 1HD1 ILE 106 -1.961 4.757 1.812 1673 2HD1 ILE 106 2HD1 ILE 106 -1.594 3.336 0.835 1674 3HD1 ILE 106 3HD1 ILE 106 -3.018 3.347 1.875 1675 H CYS 107 H CYS 107 -6.683 4.657 -1.051 1676 HA CYS 107 HA CYS 107 -6.189 7.310 -2.211 1677 1HB CYS 107 2HB CYS 107 -8.725 7.555 -1.956 1678 2HB CYS 107 1HB CYS 107 -8.144 6.486 -3.224 1679 HG CYS 107 HG CYS 107 -9.266 4.587 -2.144 1680 H THR 108 H THR 108 -5.457 8.666 -0.764 1681 HA THR 108 HA THR 108 -6.562 8.555 1.958 1682 HB THR 108 HB THR 108 -4.075 8.117 1.627 1683 HG1 THR 108 1HG THR 108 -3.596 9.200 3.491 1684 1HG2 THR 108 1HG2 THR 108 -4.036 11.074 1.097 1685 2HG2 THR 108 2HG2 THR 108 -3.513 9.804 -0.006 1686 3HG2 THR 108 3HG2 THR 108 -2.626 10.095 1.492 1687 H VAL 109 H VAL 109 -7.015 10.545 3.023 1688 HA VAL 109 HA VAL 109 -7.181 12.905 1.288 1689 HB VAL 109 HB VAL 109 -9.423 12.106 3.137 1690 1HG1 VAL 109 1HG1 VAL 109 -10.540 13.777 1.385 1691 2HG1 VAL 109 2HG1 VAL 109 -8.885 14.386 1.326 1692 3HG1 VAL 109 3HG1 VAL 109 -9.752 14.333 2.862 1693 1HG2 VAL 109 1HG2 VAL 109 -10.667 11.661 0.990 1694 2HG2 VAL 109 2HG2 VAL 109 -9.473 10.458 1.479 1695 3HG2 VAL 109 3HG2 VAL 109 -9.089 11.615 0.205 1696 H PHE 110 H PHE 110 -6.597 14.745 2.248 1697 HA PHE 110 HA PHE 110 -6.528 14.766 5.167 1698 1HB PHE 110 2HB PHE 110 -4.564 16.560 3.970 1699 2HB PHE 110 1HB PHE 110 -4.441 15.534 5.367 1700 HD1 PHE 110 1HD PHE 110 -2.688 16.188 2.687 1701 HD2 PHE 110 2HD PHE 110 -4.805 12.869 4.288 1702 HE1 PHE 110 1HE PHE 110 -1.187 14.658 1.491 1703 HE2 PHE 110 2HE PHE 110 -3.309 11.339 3.112 1704 HZ PHE 110 HZ PHE 110 -1.496 12.221 1.697 1705 H GLY 111 H GLY 111 -8.236 15.871 5.635 1706 1HA GLY 111 2HA GLY 111 -9.047 18.193 4.072 1707 2HA GLY 111 1HA GLY 111 -9.928 17.491 5.428 1708 H LEU 112 H LEU 112 -7.140 19.444 4.543 1709 HA LEU 112 HA LEU 112 -6.580 20.173 7.253 1710 1HB LEU 112 2HB LEU 112 -5.505 21.066 4.594 1711 2HB LEU 112 1HB LEU 112 -4.957 21.758 6.107 1712 HG LEU 112 HG LEU 112 -3.891 19.777 6.772 1713 1HD1 LEU 112 1HD1 LEU 112 -4.180 17.606 5.761 1714 2HD1 LEU 112 2HD1 LEU 112 -5.312 18.285 4.602 1715 3HD1 LEU 112 3HD1 LEU 112 -5.739 18.221 6.308 1716 1HD2 LEU 112 1HD2 LEU 112 -3.638 20.104 3.821 1717 2HD2 LEU 112 2HD2 LEU 112 -2.633 18.994 4.754 1718 3HD2 LEU 112 3HD2 LEU 112 -2.584 20.725 5.090 1719 H ALA 113 H ALA 113 -7.032 21.963 8.353 1720 HA ALA 113 HA ALA 113 -9.195 23.619 7.393 1721 1HB ALA 113 1HB ALA 113 -7.776 23.299 10.005 1722 2HB ALA 113 2HB ALA 113 -9.477 23.043 9.619 1723 3HB ALA 113 3HB ALA 113 -8.834 24.682 9.726 1724 H ILE 114 H ILE 114 -7.956 24.612 5.650 1725 HA ILE 114 HA ILE 114 -6.613 27.031 6.598 1726 HB ILE 114 HB ILE 114 -5.470 25.404 4.331 1727 1HG1 ILE 114 2HG1 ILE 114 -5.238 24.209 6.498 1728 2HG1 ILE 114 1HG1 ILE 114 -3.690 24.717 5.832 1729 1HG2 ILE 114 1HG2 ILE 114 -3.634 26.924 4.417 1730 2HG2 ILE 114 2HG2 ILE 114 -4.259 27.683 5.881 1731 3HG2 ILE 114 3HG2 ILE 114 -5.117 27.876 4.353 1732 1HD1 ILE 114 1HD1 ILE 114 -3.221 25.886 7.650 1733 2HD1 ILE 114 2HD1 ILE 114 -4.650 25.171 8.395 1734 3HD1 ILE 114 3HD1 ILE 114 -4.766 26.732 7.584 Start of MODEL 15 1 1H MET 1 1HT MET 1 33.433 7.644 -10.661 2 HA MET 1 HA MET 1 35.081 5.805 -12.195 3 1HB MET 1 2HB MET 1 34.353 4.127 -10.482 4 2HB MET 1 1HB MET 1 35.509 5.308 -9.884 5 1HG MET 1 2HG MET 1 33.682 6.565 -8.850 6 2HG MET 1 1HG MET 1 32.535 5.359 -9.431 7 1HE MET 1 1HE MET 1 33.609 6.548 -6.370 8 2HE MET 1 2HE MET 1 35.284 6.258 -6.839 9 3HE MET 1 3HE MET 1 34.571 5.350 -5.506 10 H GLU 2 H GLU 2 33.669 3.907 -12.762 11 HA GLU 2 HA GLU 2 30.991 4.885 -13.483 12 1HB GLU 2 2HB GLU 2 32.741 4.149 -15.250 13 2HB GLU 2 1HB GLU 2 32.336 2.514 -14.746 14 1HG GLU 2 2HG GLU 2 29.871 3.623 -15.155 15 2HG GLU 2 1HG GLU 2 30.847 4.393 -16.405 16 H GLY 3 H GLY 3 29.278 4.001 -12.535 17 1HA GLY 3 2HA GLY 3 28.708 1.359 -12.128 18 2HA GLY 3 1HA GLY 3 29.590 1.828 -10.683 19 H VAL 4 H VAL 4 28.693 3.441 -9.305 20 HA VAL 4 HA VAL 4 25.796 3.367 -9.272 21 HB VAL 4 HB VAL 4 27.628 4.749 -7.310 22 1HG1 VAL 4 1HG1 VAL 4 25.336 5.471 -7.135 23 2HG1 VAL 4 2HG1 VAL 4 25.717 4.423 -5.768 24 3HG1 VAL 4 3HG1 VAL 4 24.772 3.800 -7.120 25 1HG2 VAL 4 1HG2 VAL 4 27.145 2.612 -5.949 26 2HG2 VAL 4 2HG2 VAL 4 28.372 2.545 -7.214 27 3HG2 VAL 4 3HG2 VAL 4 26.764 1.886 -7.510 28 H ASP 5 H ASP 5 24.451 5.005 -9.768 29 HA ASP 5 HA ASP 5 25.665 7.608 -10.435 30 1HB ASP 5 2HB ASP 5 24.480 5.967 -12.224 31 2HB ASP 5 1HB ASP 5 23.076 6.882 -11.682 32 HA PRO 6 HA PRO 6 22.791 8.541 -6.986 33 1HB PRO 6 2HB PRO 6 23.995 10.882 -6.294 34 2HB PRO 6 1HB PRO 6 24.551 9.304 -5.725 35 1HG PRO 6 2HG PRO 6 25.598 10.986 -7.971 36 2HG PRO 6 1HG PRO 6 26.496 10.086 -6.734 37 1HD PRO 6 2HD PRO 6 26.162 9.140 -9.239 38 2HD PRO 6 1HD PRO 6 26.227 8.069 -7.826 39 H ALA 7 H ALA 7 21.010 9.835 -6.982 40 HA ALA 7 HA ALA 7 19.426 11.300 -7.696 41 1HB ALA 7 1HB ALA 7 21.850 12.792 -8.676 42 2HB ALA 7 2HB ALA 7 20.935 13.067 -7.197 43 3HB ALA 7 3HB ALA 7 20.210 13.428 -8.764 44 H VAL 8 H VAL 8 21.694 11.729 -10.371 45 HA VAL 8 HA VAL 8 21.594 11.306 -12.602 46 HB VAL 8 HB VAL 8 19.330 9.436 -12.673 47 1HG1 VAL 8 1HG1 VAL 8 21.413 9.962 -14.254 48 2HG1 VAL 8 2HG1 VAL 8 20.557 8.420 -14.254 49 3HG1 VAL 8 3HG1 VAL 8 22.067 8.590 -13.358 50 1HG2 VAL 8 1HG2 VAL 8 20.987 7.634 -11.648 51 2HG2 VAL 8 2HG2 VAL 8 19.764 8.468 -10.689 52 3HG2 VAL 8 3HG2 VAL 8 21.438 9.018 -10.651 53 H GLU 9 H GLU 9 18.252 10.743 -11.624 54 HA GLU 9 HA GLU 9 17.345 12.644 -13.638 55 1HB GLU 9 2HB GLU 9 15.502 10.973 -11.973 56 2HB GLU 9 1HB GLU 9 15.326 11.519 -13.624 57 1HG GLU 9 2HG GLU 9 17.273 9.412 -12.754 58 2HG GLU 9 1HG GLU 9 15.671 9.087 -13.414 59 H GLU 10 H GLU 10 17.785 14.610 -12.607 60 HA GLU 10 HA GLU 10 16.766 15.152 -9.967 61 1HB GLU 10 2HB GLU 10 18.847 16.175 -11.171 62 2HB GLU 10 1HB GLU 10 17.674 17.283 -11.870 63 1HG GLU 10 2HG GLU 10 17.571 16.917 -8.942 64 2HG GLU 10 1HG GLU 10 18.970 17.771 -9.593 65 H ALA 11 H ALA 11 14.795 15.851 -9.470 66 HA ALA 11 HA ALA 11 13.088 16.869 -11.645 67 1HB ALA 11 1HB ALA 11 11.902 15.872 -9.111 68 2HB ALA 11 2HB ALA 11 12.569 14.693 -10.239 69 3HB ALA 11 3HB ALA 11 11.286 15.785 -10.760 70 H ALA 12 H ALA 12 11.420 18.442 -11.002 71 HA ALA 12 HA ALA 12 10.826 20.480 -10.191 72 1HB ALA 12 1HB ALA 12 12.020 19.324 -7.679 73 2HB ALA 12 2HB ALA 12 10.326 19.300 -8.169 74 3HB ALA 12 3HB ALA 12 11.098 20.826 -7.743 75 H PHE 13 H PHE 13 11.678 22.524 -9.120 76 HA PHE 13 HA PHE 13 14.576 22.819 -9.480 77 1HB PHE 13 2HB PHE 13 12.929 23.628 -11.440 78 2HB PHE 13 1HB PHE 13 12.859 25.058 -10.417 79 HD1 PHE 13 1HD PHE 13 14.792 23.188 -12.797 80 HD2 PHE 13 2HD PHE 13 14.988 26.250 -9.849 81 HE1 PHE 13 1HE PHE 13 16.923 23.964 -13.751 82 HE2 PHE 13 2HE PHE 13 17.119 27.034 -10.798 83 HZ PHE 13 HZ PHE 13 18.089 25.890 -12.752 84 H VAL 14 H VAL 14 13.327 22.535 -7.046 85 HA VAL 14 HA VAL 14 12.462 24.852 -5.763 86 HB VAL 14 HB VAL 14 14.111 22.708 -4.426 87 1HG1 VAL 14 1HG1 VAL 14 13.665 24.534 -2.969 88 2HG1 VAL 14 2HG1 VAL 14 12.563 23.231 -2.523 89 3HG1 VAL 14 3HG1 VAL 14 11.975 24.600 -3.468 90 1HG2 VAL 14 1HG2 VAL 14 12.563 21.363 -5.463 91 2HG2 VAL 14 2HG2 VAL 14 11.322 22.615 -5.476 92 3HG2 VAL 14 3HG2 VAL 14 11.706 21.769 -3.977 93 H ALA 15 H ALA 15 13.608 26.150 -4.137 94 HA ALA 15 HA ALA 15 15.811 27.490 -5.149 95 1HB ALA 15 1HB ALA 15 15.091 27.307 -2.229 96 2HB ALA 15 2HB ALA 15 14.254 28.331 -3.394 97 3HB ALA 15 3HB ALA 15 15.959 28.610 -3.039 98 H ASP 16 H ASP 16 18.000 27.659 -4.296 99 HA ASP 16 HA ASP 16 19.331 25.195 -4.262 100 1HB ASP 16 2HB ASP 16 21.318 26.586 -3.509 101 2HB ASP 16 1HB ASP 16 20.542 27.096 -5.006 102 H ASP 17 H ASP 17 18.456 27.385 -1.621 103 HA ASP 17 HA ASP 17 19.802 26.104 0.453 104 1HB ASP 17 2HB ASP 17 18.646 28.346 0.533 105 2HB ASP 17 1HB ASP 17 17.128 27.475 0.720 106 H VAL 18 H VAL 18 16.405 25.676 -0.538 107 HA VAL 18 HA VAL 18 15.965 23.509 1.286 108 HB VAL 18 HB VAL 18 14.270 24.188 -1.109 109 1HG1 VAL 18 1HG1 VAL 18 12.462 23.317 0.323 110 2HG1 VAL 18 2HG1 VAL 18 13.663 22.906 1.549 111 3HG1 VAL 18 3HG1 VAL 18 13.700 22.110 -0.025 112 1HG2 VAL 18 1HG2 VAL 18 14.391 26.264 -0.083 113 2HG2 VAL 18 2HG2 VAL 18 14.511 25.571 1.533 114 3HG2 VAL 18 3HG2 VAL 18 12.971 25.543 0.675 115 H SER 19 H SER 19 16.784 23.764 -2.124 116 HA SER 19 HA SER 19 16.315 21.040 -2.754 117 1HB SER 19 2HB SER 19 17.429 21.492 -4.835 118 2HB SER 19 1HB SER 19 16.467 22.910 -4.423 119 HG SER 19 HG SER 19 18.970 22.916 -5.015 120 H ASN 20 H ASN 20 19.243 22.821 -1.808 121 HA ASN 20 HA ASN 20 20.962 20.587 -2.115 122 1HB ASN 20 2HB ASN 20 22.675 21.962 -1.423 123 2HB ASN 20 1HB ASN 20 21.503 23.161 -1.946 124 1HD2 ASN 20 1HD2 ASN 20 20.359 24.343 -0.359 125 2HD2 ASN 20 2HD2 ASN 20 20.971 24.502 1.248 126 H ILE 21 H ILE 21 19.306 21.947 0.705 127 HA ILE 21 HA ILE 21 20.411 20.347 2.697 128 HB ILE 21 HB ILE 21 17.655 21.574 2.437 129 1HG1 ILE 21 2HG1 ILE 21 19.936 22.371 4.240 130 2HG1 ILE 21 1HG1 ILE 21 19.767 22.992 2.603 131 1HG2 ILE 21 1HG2 ILE 21 17.431 21.250 4.894 132 2HG2 ILE 21 2HG2 ILE 21 18.849 20.202 4.846 133 3HG2 ILE 21 3HG2 ILE 21 17.384 19.744 3.976 134 1HD1 ILE 21 1HD1 ILE 21 17.584 23.924 3.192 135 2HD1 ILE 21 2HD1 ILE 21 18.873 24.556 4.216 136 3HD1 ILE 21 3HD1 ILE 21 17.780 23.319 4.837 137 H ILE 22 H ILE 22 17.400 19.732 0.840 138 HA ILE 22 HA ILE 22 16.868 17.250 2.012 139 HB ILE 22 HB ILE 22 15.347 18.737 0.555 140 1HG1 ILE 22 2HG1 ILE 22 14.534 16.717 1.561 141 2HG1 ILE 22 1HG1 ILE 22 13.958 16.779 -0.101 142 1HG2 ILE 22 1HG2 ILE 22 15.101 18.093 -1.777 143 2HG2 ILE 22 2HG2 ILE 22 16.502 17.031 -1.640 144 3HG2 ILE 22 3HG2 ILE 22 16.697 18.776 -1.466 145 1HD1 ILE 22 1HD1 ILE 22 16.150 15.083 1.028 146 2HD1 ILE 22 2HD1 ILE 22 15.873 15.274 -0.702 147 3HD1 ILE 22 3HD1 ILE 22 14.626 14.561 0.322 148 H LYS 23 H LYS 23 18.498 17.946 -1.096 149 HA LYS 23 HA LYS 23 19.103 15.286 -1.755 150 1HB LYS 23 2HB LYS 23 20.498 17.870 -2.428 151 2HB LYS 23 1HB LYS 23 20.884 16.331 -3.175 152 1HG LYS 23 2HG LYS 23 18.760 16.171 -4.175 153 2HG LYS 23 1HG LYS 23 18.144 17.523 -3.224 154 1HD LYS 23 2HD LYS 23 20.431 18.487 -4.546 155 2HD LYS 23 1HD LYS 23 19.540 17.554 -5.734 156 1HE LYS 23 2HE LYS 23 17.556 18.968 -4.510 157 2HE LYS 23 1HE LYS 23 18.904 20.101 -4.487 158 1HZ LYS 23 1HZ LYS 23 17.507 20.282 -6.492 159 2HZ LYS 23 2HZ LYS 23 17.935 18.703 -6.919 160 3HZ LYS 23 3HZ LYS 23 19.117 19.910 -6.851 161 H GLU 24 H GLU 24 21.112 17.788 -0.275 162 HA GLU 24 HA GLU 24 23.386 16.297 0.308 163 1HB GLU 24 2HB GLU 24 22.105 18.601 1.788 164 2HB GLU 24 1HB GLU 24 23.651 17.930 2.256 165 1HG GLU 24 2HG GLU 24 23.503 18.591 -0.577 166 2HG GLU 24 1HG GLU 24 23.262 19.978 0.486 167 H SER 25 H SER 25 20.319 16.519 1.968 168 HA SER 25 HA SER 25 21.036 15.204 4.347 169 1HB SER 25 2HB SER 25 18.545 16.032 3.023 170 2HB SER 25 1HB SER 25 18.372 14.578 4.004 171 HG SER 25 HG SER 25 18.958 15.690 5.783 172 H ILE 26 H ILE 26 19.654 13.947 1.272 173 HA ILE 26 HA ILE 26 19.460 11.267 2.118 174 HB ILE 26 HB ILE 26 19.831 12.452 -0.631 175 1HG1 ILE 26 2HG1 ILE 26 17.577 11.364 -0.941 176 2HG1 ILE 26 1HG1 ILE 26 17.601 10.991 0.779 177 1HG2 ILE 26 1HG2 ILE 26 20.199 9.627 0.162 178 2HG2 ILE 26 2HG2 ILE 26 20.807 10.497 -1.244 179 3HG2 ILE 26 3HG2 ILE 26 19.147 9.901 -1.228 180 1HD1 ILE 26 1HD1 ILE 26 17.758 13.392 1.260 181 2HD1 ILE 26 2HD1 ILE 26 16.294 12.958 0.381 182 3HD1 ILE 26 3HD1 ILE 26 17.639 13.721 -0.467 183 H ASP 27 H ASP 27 22.131 13.034 0.616 184 HA ASP 27 HA ASP 27 23.939 10.974 0.277 185 1HB ASP 27 2HB ASP 27 24.340 13.265 -0.502 186 2HB ASP 27 1HB ASP 27 24.500 13.815 1.159 187 H ALA 28 H ALA 28 23.047 12.690 3.194 188 HA ALA 28 HA ALA 28 25.059 11.293 4.782 189 1HB ALA 28 1HB ALA 28 22.944 13.277 5.620 190 2HB ALA 28 2HB ALA 28 24.614 13.665 5.210 191 3HB ALA 28 3HB ALA 28 24.261 12.675 6.628 192 H VAL 29 H VAL 29 21.555 11.480 4.490 193 HA VAL 29 HA VAL 29 20.994 9.620 6.542 194 HB VAL 29 HB VAL 29 19.515 11.359 4.725 195 1HG1 VAL 29 1HG1 VAL 29 18.271 9.681 3.810 196 2HG1 VAL 29 2HG1 VAL 29 17.335 10.119 5.223 197 3HG1 VAL 29 3HG1 VAL 29 18.343 8.682 5.260 198 1HG2 VAL 29 1HG2 VAL 29 18.156 10.594 7.136 199 2HG2 VAL 29 2HG2 VAL 29 18.803 12.156 6.648 200 3HG2 VAL 29 3HG2 VAL 29 19.844 10.983 7.447 201 H LEU 30 H LEU 30 22.315 9.118 3.515 202 HA LEU 30 HA LEU 30 21.348 6.349 3.542 203 1HB LEU 30 2HB LEU 30 21.778 8.168 1.202 204 2HB LEU 30 1HB LEU 30 21.924 6.431 1.014 205 HG LEU 30 HG LEU 30 19.691 7.097 0.381 206 1HD1 LEU 30 1HD1 LEU 30 19.296 5.973 3.108 207 2HD1 LEU 30 2HD1 LEU 30 20.161 5.032 1.896 208 3HD1 LEU 30 3HD1 LEU 30 18.500 5.544 1.598 209 1HD2 LEU 30 1HD2 LEU 30 19.046 8.015 3.123 210 2HD2 LEU 30 2HD2 LEU 30 18.320 8.463 1.580 211 3HD2 LEU 30 3HD2 LEU 30 19.880 9.131 2.049 212 H GLN 31 H GLN 31 24.112 8.520 2.888 213 HA GLN 31 HA GLN 31 25.898 6.311 2.435 214 1HB GLN 31 2HB GLN 31 26.216 8.684 1.569 215 2HB GLN 31 1HB GLN 31 26.725 9.092 3.195 216 1HG GLN 31 2HG GLN 31 28.533 7.541 3.086 217 2HG GLN 31 1HG GLN 31 27.999 7.011 1.499 218 1HE2 GLN 31 1HE2 GLN 31 30.343 8.643 2.860 219 2HE2 GLN 31 2HE2 GLN 31 30.649 9.866 1.678 220 H ASN 32 H ASN 32 24.714 7.999 5.230 221 HA ASN 32 HA ASN 32 26.645 7.763 7.129 222 1HB ASN 32 2HB ASN 32 24.734 7.249 8.742 223 2HB ASN 32 1HB ASN 32 24.574 8.706 7.767 224 1HD2 ASN 32 1HD2 ASN 32 22.741 6.512 9.026 225 2HD2 ASN 32 2HD2 ASN 32 21.583 6.247 7.776 226 H GLN 33 H GLN 33 24.868 5.133 5.667 227 HA GLN 33 HA GLN 33 26.628 3.235 7.022 228 1HB GLN 33 2HB GLN 33 24.124 3.579 7.996 229 2HB GLN 33 1HB GLN 33 23.817 2.346 6.781 230 1HG GLN 33 2HG GLN 33 24.361 0.902 8.384 231 2HG GLN 33 1HG GLN 33 26.027 1.357 8.030 232 1HE2 GLN 33 1HE2 GLN 33 27.205 2.090 9.651 233 2HE2 GLN 33 2HE2 GLN 33 26.602 2.676 11.159 234 H GLN 34 H GLN 34 25.502 0.888 6.059 235 HA GLN 34 HA GLN 34 26.328 1.007 3.299 236 1HB GLN 34 2HB GLN 34 26.582 -0.898 5.193 237 2HB GLN 34 1HB GLN 34 25.141 -1.486 4.375 238 1HG GLN 34 2HG GLN 34 26.535 -2.493 2.971 239 2HG GLN 34 1HG GLN 34 26.817 -0.891 2.288 240 1HE2 GLN 34 1HE2 GLN 34 28.900 -0.714 1.874 241 2HE2 GLN 34 2HE2 GLN 34 30.188 -1.142 2.943 242 H TYR 35 H TYR 35 24.911 -0.552 1.794 243 HA TYR 35 HA TYR 35 22.336 0.784 1.620 244 1HB TYR 35 2HB TYR 35 23.669 0.633 -0.407 245 2HB TYR 35 1HB TYR 35 23.745 -1.118 -0.265 246 HD1 TYR 35 1HD TYR 35 21.573 1.740 -1.081 247 HD2 TYR 35 2HD TYR 35 21.907 -2.500 -0.960 248 HE1 TYR 35 1HE TYR 35 19.540 1.546 -2.451 249 HE2 TYR 35 2HE TYR 35 19.876 -2.706 -2.331 250 HH TYR 35 HH TYR 35 18.603 -1.327 -3.954 251 H SER 36 H SER 36 20.702 -0.039 2.719 252 HA SER 36 HA SER 36 20.213 -2.930 2.571 253 1HB SER 36 2HB SER 36 20.550 -1.263 4.990 254 2HB SER 36 1HB SER 36 19.164 -2.352 5.012 255 HG SER 36 HG SER 36 20.544 -3.852 5.478 256 H GLU 37 H GLU 37 18.181 -3.411 1.915 257 HA GLU 37 HA GLU 37 16.411 -1.407 1.083 258 1HB GLU 37 2HB GLU 37 16.396 -3.694 0.164 259 2HB GLU 37 1HB GLU 37 15.758 -4.291 1.692 260 1HG GLU 37 2HG GLU 37 13.708 -3.899 0.975 261 2HG GLU 37 1HG GLU 37 14.078 -2.184 0.883 262 H ALA 38 H ALA 38 16.527 -3.303 4.053 263 HA ALA 38 HA ALA 38 14.066 -2.584 5.151 264 1HB ALA 38 1HB ALA 38 16.691 -3.167 6.506 265 2HB ALA 38 2HB ALA 38 15.397 -4.311 6.148 266 3HB ALA 38 3HB ALA 38 15.145 -3.039 7.344 267 H LYS 39 H LYS 39 17.053 -0.820 4.890 268 HA LYS 39 HA LYS 39 16.021 1.348 6.554 269 1HB LYS 39 2HB LYS 39 18.704 0.497 5.617 270 2HB LYS 39 1HB LYS 39 18.444 2.215 5.843 271 1HG LYS 39 2HG LYS 39 19.248 1.597 7.885 272 2HG LYS 39 1HG LYS 39 17.509 1.511 8.155 273 1HD LYS 39 2HD LYS 39 18.508 -0.447 9.083 274 2HD LYS 39 1HD LYS 39 17.627 -0.919 7.630 275 1HE LYS 39 2HE LYS 39 19.502 -1.937 6.977 276 2HE LYS 39 1HE LYS 39 20.165 -0.327 6.703 277 1HZ LYS 39 1HZ LYS 39 21.685 -1.473 8.071 278 2HZ LYS 39 2HZ LYS 39 20.472 -2.024 9.112 279 3HZ LYS 39 3HZ LYS 39 20.884 -0.384 9.088 280 H VAL 40 H VAL 40 16.397 0.462 3.257 281 HA VAL 40 HA VAL 40 16.815 2.820 1.921 282 HB VAL 40 HB VAL 40 15.308 0.324 1.277 283 1HG1 VAL 40 1HG1 VAL 40 15.096 1.324 -1.124 284 2HG1 VAL 40 2HG1 VAL 40 15.009 2.859 -0.261 285 3HG1 VAL 40 3HG1 VAL 40 13.826 1.594 0.069 286 1HG2 VAL 40 1HG2 VAL 40 17.828 0.713 1.125 287 2HG2 VAL 40 2HG2 VAL 40 17.459 1.656 -0.319 288 3HG2 VAL 40 3HG2 VAL 40 17.025 -0.051 -0.247 289 H SER 41 H SER 41 13.993 1.867 3.724 290 HA SER 41 HA SER 41 12.520 4.210 2.737 291 1HB SER 41 2HB SER 41 10.526 3.191 3.625 292 2HB SER 41 1HB SER 41 11.390 1.963 2.702 293 HG SER 41 HG SER 41 10.988 0.926 4.540 294 H GLN 42 H GLN 42 13.787 2.694 5.650 295 HA GLN 42 HA GLN 42 12.710 4.597 7.465 296 1HB GLN 42 2HB GLN 42 14.847 2.504 7.623 297 2HB GLN 42 1HB GLN 42 14.706 3.688 8.912 298 1HG GLN 42 2HG GLN 42 13.523 1.557 9.350 299 2HG GLN 42 1HG GLN 42 12.494 2.984 9.423 300 1HE2 GLN 42 1HE2 GLN 42 11.107 3.418 7.615 301 2HE2 GLN 42 2HE2 GLN 42 10.543 2.119 6.627 302 H TRP 43 H TRP 43 15.664 4.469 5.573 303 HA TRP 43 HA TRP 43 17.022 6.510 6.920 304 1HB TRP 43 2HB TRP 43 17.202 5.430 4.150 305 2HB TRP 43 1HB TRP 43 18.116 6.859 4.595 306 HD1 TRP 43 HD TRP 43 19.283 3.977 3.751 307 HE1 TRP 43 1HE TRP 43 20.953 2.841 5.300 308 HE3 TRP 43 3HE TRP 43 18.281 6.469 8.155 309 HZ2 TRP 43 2HZ TRP 43 21.776 2.932 7.974 310 HZ3 TRP 43 3HZ TRP 43 19.569 5.859 10.142 311 HH2 TRP 43 HH TRP 43 21.285 4.129 10.057 312 H THR 44 H THR 44 14.996 6.670 3.998 313 HA THR 44 HA THR 44 15.176 9.415 3.605 314 HB THR 44 HB THR 44 14.112 7.735 2.066 315 HG1 THR 44 1HG THR 44 13.888 9.869 1.564 316 1HG2 THR 44 1HG2 THR 44 11.422 8.140 2.777 317 2HG2 THR 44 2HG2 THR 44 12.245 7.464 4.183 318 3HG2 THR 44 3HG2 THR 44 12.304 6.619 2.636 319 H SER 45 H SER 45 13.437 7.637 5.998 320 HA SER 45 HA SER 45 11.661 9.741 6.761 321 1HB SER 45 2HB SER 45 12.199 7.038 7.602 322 2HB SER 45 1HB SER 45 12.172 8.096 9.009 323 HG SER 45 HG SER 45 10.088 7.854 8.817 324 H SER 46 H SER 46 14.867 8.621 7.656 325 HA SER 46 HA SER 46 15.323 10.494 9.743 326 1HB SER 46 2HB SER 46 17.046 8.680 8.110 327 2HB SER 46 1HB SER 46 17.822 9.998 8.984 328 HG SER 46 HG SER 46 16.986 9.182 10.896 329 H CYS 47 H CYS 47 15.697 10.508 6.261 330 HA CYS 47 HA CYS 47 17.120 12.944 5.985 331 1HB CYS 47 2HB CYS 47 16.955 11.586 4.023 332 2HB CYS 47 1HB CYS 47 15.225 11.432 4.176 333 HG CYS 47 HG CYS 47 14.912 13.541 2.919 334 H LEU 48 H LEU 48 13.744 12.063 6.211 335 HA LEU 48 HA LEU 48 12.640 14.604 5.813 336 1HB LEU 48 2HB LEU 48 11.737 11.983 6.842 337 2HB LEU 48 1HB LEU 48 10.804 13.370 7.364 338 HG LEU 48 HG LEU 48 9.976 13.784 5.275 339 1HD1 LEU 48 1HD1 LEU 48 12.543 12.636 4.259 340 2HD1 LEU 48 2HD1 LEU 48 11.844 14.231 3.980 341 3HD1 LEU 48 3HD1 LEU 48 11.155 12.816 3.184 342 1HD2 LEU 48 1HD2 LEU 48 9.321 11.511 6.049 343 2HD2 LEU 48 2HD2 LEU 48 10.590 10.847 5.020 344 3HD2 LEU 48 3HD2 LEU 48 9.239 11.722 4.300 345 H GLU 49 H GLU 49 13.870 12.963 8.674 346 HA GLU 49 HA GLU 49 12.984 15.099 10.378 347 1HB GLU 49 2HB GLU 49 13.452 12.672 11.122 348 2HB GLU 49 1HB GLU 49 15.135 13.195 11.195 349 1HG GLU 49 2HG GLU 49 14.272 15.151 12.588 350 2HG GLU 49 1HG GLU 49 12.794 14.219 12.763 351 H HIS 50 H HIS 50 15.830 14.258 8.563 352 HA HIS 50 HA HIS 50 17.419 16.390 9.704 353 1HB HIS 50 2HB HIS 50 17.883 14.350 7.541 354 2HB HIS 50 1HB HIS 50 18.999 15.691 7.783 355 HD1 HIS 50 1HD HIS 50 20.006 15.821 10.329 356 HD2 HIS 50 2HD HIS 50 18.402 12.191 9.096 357 HE1 HIS 50 1HE HIS 50 20.929 14.104 11.917 358 HE2 HIS 50 2HE HIS 50 19.876 11.927 11.205 359 H CYS 51 H CYS 51 14.879 16.402 7.607 360 HA CYS 51 HA CYS 51 15.965 18.552 5.923 361 1HB CYS 51 2HB CYS 51 14.734 16.496 4.890 362 2HB CYS 51 1HB CYS 51 13.264 17.203 5.545 363 HG CYS 51 HG CYS 51 14.718 19.204 3.826 364 H ILE 52 H ILE 52 13.329 17.587 8.006 365 HA ILE 52 HA ILE 52 12.042 20.102 8.174 366 HB ILE 52 HB ILE 52 10.881 18.022 8.616 367 1HG1 ILE 52 2HG1 ILE 52 10.146 20.122 9.766 368 2HG1 ILE 52 1HG1 ILE 52 9.600 18.617 10.489 369 1HG2 ILE 52 1HG2 ILE 52 13.102 17.224 9.936 370 2HG2 ILE 52 2HG2 ILE 52 11.549 16.396 9.950 371 3HG2 ILE 52 3HG2 ILE 52 11.972 17.491 11.259 372 1HD1 ILE 52 1HD1 ILE 52 11.851 19.086 11.891 373 2HD1 ILE 52 2HD1 ILE 52 10.232 19.575 12.379 374 3HD1 ILE 52 3HD1 ILE 52 11.293 20.721 11.567 375 H LYS 53 H LYS 53 14.591 18.515 10.020 376 HA LYS 53 HA LYS 53 14.575 20.462 12.122 377 1HB LYS 53 2HB LYS 53 16.258 18.108 11.430 378 2HB LYS 53 1HB LYS 53 16.966 19.324 12.466 379 1HG LYS 53 2HG LYS 53 15.850 17.332 13.580 380 2HG LYS 53 1HG LYS 53 15.451 18.929 14.189 381 1HD LYS 53 2HD LYS 53 13.605 18.224 12.123 382 2HD LYS 53 1HD LYS 53 13.703 16.908 13.280 383 1HE LYS 53 2HE LYS 53 11.949 18.514 13.870 384 2HE LYS 53 1HE LYS 53 13.206 18.426 15.101 385 1HZ LYS 53 1HZ LYS 53 12.835 20.558 13.071 386 2HZ LYS 53 2HZ LYS 53 14.191 20.446 14.076 387 3HZ LYS 53 3HZ LYS 53 12.660 20.698 14.747 388 H ARG 54 H ARG 54 16.152 20.190 9.032 389 HA ARG 54 HA ARG 54 18.226 22.078 9.649 390 1HB ARG 54 2HB ARG 54 18.488 20.340 7.907 391 2HB ARG 54 1HB ARG 54 17.221 21.111 6.965 392 1HG ARG 54 2HG ARG 54 18.941 22.127 5.950 393 2HG ARG 54 1HG ARG 54 18.879 23.200 7.344 394 1HD ARG 54 2HD ARG 54 20.986 22.660 7.732 395 2HD ARG 54 1HD ARG 54 20.429 21.062 8.192 396 HE ARG 54 HE ARG 54 21.673 21.843 5.675 397 1HH1 ARG 54 1HH1 ARG 54 20.110 19.299 7.516 398 2HH1 ARG 54 2HH1 ARG 54 20.695 18.042 6.486 399 1HH2 ARG 54 1HH2 ARG 54 22.429 20.177 4.341 400 2HH2 ARG 54 2HH2 ARG 54 22.006 18.535 4.692 401 H LEU 55 H LEU 55 15.219 22.089 7.821 402 HA LEU 55 HA LEU 55 15.329 24.785 7.025 403 1HB LEU 55 2HB LEU 55 12.911 23.055 7.503 404 2HB LEU 55 1HB LEU 55 12.952 24.525 6.557 405 HG LEU 55 HG LEU 55 13.397 21.833 5.706 406 1HD1 LEU 55 1HD1 LEU 55 12.131 23.709 4.657 407 2HD1 LEU 55 2HD1 LEU 55 13.135 22.749 3.571 408 3HD1 LEU 55 3HD1 LEU 55 13.681 24.335 4.105 409 1HD2 LEU 55 1HD2 LEU 55 15.435 22.385 4.232 410 2HD2 LEU 55 2HD2 LEU 55 15.719 21.879 5.897 411 3HD2 LEU 55 3HD2 LEU 55 15.818 23.587 5.465 412 H THR 56 H THR 56 13.514 23.240 9.652 413 HA THR 56 HA THR 56 12.565 25.646 10.760 414 HB THR 56 HB THR 56 11.981 24.298 12.713 415 HG1 THR 56 1HG THR 56 13.838 22.997 12.830 416 1HG2 THR 56 1HG2 THR 56 10.653 22.560 11.609 417 2HG2 THR 56 2HG2 THR 56 11.541 22.843 10.116 418 3HG2 THR 56 3HG2 THR 56 10.527 24.114 10.793 419 H ALA 57 H ALA 57 15.629 24.042 10.917 420 HA ALA 57 HA ALA 57 16.611 25.277 13.287 421 1HB ALA 57 1HB ALA 57 18.048 23.588 12.746 422 2HB ALA 57 2HB ALA 57 18.858 24.868 11.843 423 3HB ALA 57 3HB ALA 57 17.765 23.762 11.015 424 H LEU 58 H LEU 58 16.524 26.034 9.861 425 HA LEU 58 HA LEU 58 17.882 28.568 10.148 426 1HB LEU 58 2HB LEU 58 16.778 26.910 7.947 427 2HB LEU 58 1HB LEU 58 16.916 28.629 7.665 428 HG LEU 58 HG LEU 58 18.851 27.327 6.840 429 1HD1 LEU 58 1HD1 LEU 58 20.350 28.974 7.333 430 2HD1 LEU 58 2HD1 LEU 58 19.909 29.017 9.041 431 3HD1 LEU 58 3HD1 LEU 58 18.856 29.764 7.838 432 1HD2 LEU 58 1HD2 LEU 58 18.641 25.919 9.155 433 2HD2 LEU 58 2HD2 LEU 58 19.990 26.993 9.521 434 3HD2 LEU 58 3HD2 LEU 58 20.063 25.933 8.114 435 H ASN 59 H ASN 59 14.728 27.430 10.576 436 HA ASN 59 HA ASN 59 12.669 28.313 10.732 437 1HB ASN 59 2HB ASN 59 12.524 30.508 11.874 438 2HB ASN 59 1HB ASN 59 13.626 29.387 12.661 439 1HD2 ASN 59 1HD2 ASN 59 13.294 32.371 10.984 440 2HD2 ASN 59 2HD2 ASN 59 14.919 32.915 11.190 441 H LYS 60 H LYS 60 11.922 28.279 8.685 442 HA LYS 60 HA LYS 60 10.882 30.494 7.517 443 1HB LYS 60 2HB LYS 60 12.434 30.724 5.464 444 2HB LYS 60 1HB LYS 60 12.909 31.522 6.956 445 1HG LYS 60 2HG LYS 60 14.730 30.237 7.220 446 2HG LYS 60 1HG LYS 60 13.918 28.782 6.637 447 1HD LYS 60 2HD LYS 60 14.383 30.855 4.602 448 2HD LYS 60 1HD LYS 60 15.843 30.122 5.271 449 1HE LYS 60 2HE LYS 60 14.451 27.899 4.858 450 2HE LYS 60 1HE LYS 60 13.676 28.911 3.640 451 1HZ LYS 60 1HZ LYS 60 16.579 28.324 3.853 452 2HZ LYS 60 2HZ LYS 60 15.891 29.384 2.729 453 3HZ LYS 60 3HZ LYS 60 15.517 27.736 2.674 454 HA PRO 61 HA PRO 61 9.141 30.564 6.869 455 1HB PRO 61 2HB PRO 61 6.665 29.435 6.328 456 2HB PRO 61 1HB PRO 61 7.543 30.513 5.263 457 1HG PRO 61 2HG PRO 61 6.973 27.766 4.829 458 2HG PRO 61 1HG PRO 61 7.988 28.820 3.835 459 1HD PRO 61 2HD PRO 61 8.759 26.816 5.873 460 2HD PRO 61 1HD PRO 61 9.663 27.404 4.463 461 H PHE 62 H PHE 62 6.924 27.843 7.364 462 HA PHE 62 HA PHE 62 7.611 27.683 10.184 463 1HB PHE 62 2HB PHE 62 5.147 28.918 9.105 464 2HB PHE 62 1HB PHE 62 4.918 27.791 10.438 465 HD1 PHE 62 1HD PHE 62 5.132 31.100 9.782 466 HD2 PHE 62 2HD PHE 62 6.966 28.187 12.284 467 HE1 PHE 62 1HE PHE 62 5.755 32.867 11.375 468 HE2 PHE 62 2HE PHE 62 7.592 29.949 13.882 469 HZ PHE 62 HZ PHE 62 6.987 32.293 13.429 470 H LYS 63 H LYS 63 4.723 26.700 8.364 471 HA LYS 63 HA LYS 63 4.890 24.023 9.371 472 1HB LYS 63 2HB LYS 63 2.727 25.114 8.978 473 2HB LYS 63 1HB LYS 63 3.079 25.203 7.258 474 1HG LYS 63 2HG LYS 63 1.815 23.330 7.240 475 2HG LYS 63 1HG LYS 63 3.371 22.576 7.591 476 1HD LYS 63 2HD LYS 63 2.785 22.837 10.044 477 2HD LYS 63 1HD LYS 63 1.153 23.245 9.511 478 1HE LYS 63 2HE LYS 63 2.645 20.662 9.127 479 2HE LYS 63 1HE LYS 63 1.139 20.930 10.003 480 1HZ LYS 63 1HZ LYS 63 0.457 20.015 8.005 481 2HZ LYS 63 2HZ LYS 63 1.593 20.871 7.089 482 3HZ LYS 63 3HZ LYS 63 0.250 21.673 7.733 483 H TYR 64 H TYR 64 6.931 23.327 8.581 484 HA TYR 64 HA TYR 64 7.107 22.984 5.680 485 1HB TYR 64 2HB TYR 64 9.052 23.972 6.812 486 2HB TYR 64 1HB TYR 64 9.195 22.534 7.821 487 HD1 TYR 64 1HD TYR 64 10.541 20.784 7.130 488 HD2 TYR 64 2HD TYR 64 9.187 23.595 4.252 489 HE1 TYR 64 1HE TYR 64 11.959 19.719 5.431 490 HE2 TYR 64 2HE TYR 64 10.591 22.534 2.541 491 HH TYR 64 HH TYR 64 12.807 21.066 2.620 492 H VAL 65 H VAL 65 6.262 21.171 4.903 493 HA VAL 65 HA VAL 65 6.500 18.733 6.518 494 HB VAL 65 HB VAL 65 4.193 19.188 6.105 495 1HG1 VAL 65 1HG1 VAL 65 3.351 20.121 4.311 496 2HG1 VAL 65 2HG1 VAL 65 3.983 18.841 3.279 497 3HG1 VAL 65 3HG1 VAL 65 4.978 20.228 3.674 498 1HG2 VAL 65 1HG2 VAL 65 3.516 17.187 4.823 499 2HG2 VAL 65 2HG2 VAL 65 4.728 16.878 6.065 500 3HG2 VAL 65 3HG2 VAL 65 5.206 16.975 4.370 501 H VAL 66 H VAL 66 7.716 17.138 5.834 502 HA VAL 66 HA VAL 66 8.780 17.259 3.082 503 HB VAL 66 HB VAL 66 10.372 15.713 5.018 504 1HG1 VAL 66 1HG1 VAL 66 10.794 16.653 2.565 505 2HG1 VAL 66 2HG1 VAL 66 12.096 16.332 3.709 506 3HG1 VAL 66 3HG1 VAL 66 11.494 17.977 3.498 507 1HG2 VAL 66 1HG2 VAL 66 9.994 17.301 6.661 508 2HG2 VAL 66 2HG2 VAL 66 9.874 18.621 5.505 509 3HG2 VAL 66 3HG2 VAL 66 11.444 17.909 5.870 510 H THR 67 H THR 67 8.408 15.484 1.822 511 HA THR 67 HA THR 67 7.924 12.936 3.167 512 HB THR 67 HB THR 67 5.698 13.715 2.830 513 HG1 THR 67 1HG THR 67 5.328 11.767 2.183 514 1HG2 THR 67 1HG2 THR 67 4.973 14.969 1.160 515 2HG2 THR 67 2HG2 THR 67 5.673 13.901 -0.055 516 3HG2 THR 67 3HG2 THR 67 6.667 15.149 0.699 517 H CYS 68 H CYS 68 8.404 11.093 2.000 518 HA CYS 68 HA CYS 68 9.441 11.399 -0.703 519 1HB CYS 68 2HB CYS 68 11.401 11.790 0.711 520 2HB CYS 68 1HB CYS 68 11.102 10.279 1.562 521 HG CYS 68 HG CYS 68 12.294 10.529 -1.275 522 H ILE 69 H ILE 69 9.032 9.693 -1.940 523 HA ILE 69 HA ILE 69 7.955 7.274 -0.653 524 HB ILE 69 HB ILE 69 7.392 8.446 -3.376 525 1HG1 ILE 69 2HG1 ILE 69 5.170 7.960 -1.529 526 2HG1 ILE 69 1HG1 ILE 69 6.325 9.160 -0.960 527 1HG2 ILE 69 1HG2 ILE 69 6.247 5.947 -2.154 528 2HG2 ILE 69 2HG2 ILE 69 7.390 6.012 -3.496 529 3HG2 ILE 69 3HG2 ILE 69 5.764 6.667 -3.689 530 1HD1 ILE 69 1HD1 ILE 69 5.904 9.834 -3.607 531 2HD1 ILE 69 2HD1 ILE 69 5.220 10.630 -2.190 532 3HD1 ILE 69 3HD1 ILE 69 4.312 9.363 -3.014 533 H ILE 70 H ILE 70 9.202 5.517 -0.789 534 HA ILE 70 HA ILE 70 11.481 5.501 -2.580 535 HB ILE 70 HB ILE 70 12.011 3.318 -1.443 536 1HG1 ILE 70 2HG1 ILE 70 10.174 3.958 0.773 537 2HG1 ILE 70 1HG1 ILE 70 9.392 3.346 -0.682 538 1HG2 ILE 70 1HG2 ILE 70 12.377 5.936 -0.610 539 2HG2 ILE 70 2HG2 ILE 70 13.249 4.516 -0.036 540 3HG2 ILE 70 3HG2 ILE 70 11.833 5.094 0.841 541 1HD1 ILE 70 1HD1 ILE 70 11.732 1.934 0.537 542 2HD1 ILE 70 2HD1 ILE 70 10.500 1.305 -0.558 543 3HD1 ILE 70 3HD1 ILE 70 10.088 1.673 1.117 544 H MET 71 H MET 71 11.720 4.324 -4.368 545 HA MET 71 HA MET 71 9.571 2.439 -5.084 546 1HB MET 71 2HB MET 71 11.140 4.350 -6.813 547 2HB MET 71 1HB MET 71 10.200 3.021 -7.479 548 1HG MET 71 2HG MET 71 8.337 4.163 -5.921 549 2HG MET 71 1HG MET 71 9.316 5.576 -6.312 550 1HE MET 71 1HE MET 71 9.958 4.252 -9.823 551 2HE MET 71 2HE MET 71 10.433 5.496 -8.667 552 3HE MET 71 3HE MET 71 9.325 5.891 -9.981 553 H GLN 72 H GLN 72 10.402 0.477 -4.685 554 HA GLN 72 HA GLN 72 13.114 -0.224 -4.803 555 1HB GLN 72 2HB GLN 72 11.446 -1.515 -3.549 556 2HB GLN 72 1HB GLN 72 10.681 -2.003 -5.056 557 1HG GLN 72 2HG GLN 72 12.684 -3.213 -5.704 558 2HG GLN 72 1HG GLN 72 13.493 -2.688 -4.228 559 1HE2 GLN 72 1HE2 GLN 72 13.733 -5.087 -4.087 560 2HE2 GLN 72 2HE2 GLN 72 12.484 -5.962 -3.275 561 H LYS 73 H LYS 73 14.427 -0.712 -6.434 562 HA LYS 73 HA LYS 73 15.207 -1.106 -8.534 563 1HB LYS 73 2HB LYS 73 13.528 -3.134 -8.019 564 2HB LYS 73 1HB LYS 73 12.692 -2.431 -9.396 565 1HG LYS 73 2HG LYS 73 14.052 -3.567 -10.722 566 2HG LYS 73 1HG LYS 73 15.375 -2.546 -10.159 567 1HD LYS 73 2HD LYS 73 14.675 -4.736 -8.337 568 2HD LYS 73 1HD LYS 73 15.271 -5.263 -9.911 569 1HE LYS 73 2HE LYS 73 16.727 -3.126 -8.416 570 2HE LYS 73 1HE LYS 73 16.940 -4.813 -7.951 571 1HZ LYS 73 1HZ LYS 73 17.260 -4.960 -10.597 572 2HZ LYS 73 2HZ LYS 73 18.536 -4.747 -9.509 573 3HZ LYS 73 3HZ LYS 73 17.875 -3.411 -10.307 574 H ASN 74 H ASN 74 14.372 -1.032 -11.005 575 HA ASN 74 HA ASN 74 12.818 1.463 -11.244 576 1HB ASN 74 2HB ASN 74 14.163 1.987 -13.234 577 2HB ASN 74 1HB ASN 74 15.181 1.797 -11.809 578 1HD2 ASN 74 1HD2 ASN 74 16.610 0.112 -11.694 579 2HD2 ASN 74 2HD2 ASN 74 16.968 -0.915 -13.036 580 H GLY 75 H GLY 75 11.813 -1.289 -11.290 581 1HA GLY 75 2HA GLY 75 10.843 -1.393 -14.081 582 2HA GLY 75 1HA GLY 75 11.057 -2.815 -13.072 583 H ALA 76 H ALA 76 9.936 -1.571 -10.691 584 HA ALA 76 HA ALA 76 7.229 -2.265 -11.071 585 1HB ALA 76 1HB ALA 76 7.105 -0.949 -8.752 586 2HB ALA 76 2HB ALA 76 8.852 -1.173 -8.850 587 3HB ALA 76 3HB ALA 76 7.780 -2.572 -8.892 588 H GLY 77 H GLY 77 5.491 -1.104 -11.639 589 1HA GLY 77 2HA GLY 77 5.905 1.740 -12.236 590 2HA GLY 77 1HA GLY 77 4.632 0.725 -12.898 591 H LEU 78 H LEU 78 5.384 3.072 -10.627 592 HA LEU 78 HA LEU 78 2.746 2.750 -9.386 593 1HB LEU 78 2HB LEU 78 4.323 1.845 -7.789 594 2HB LEU 78 1HB LEU 78 5.330 3.275 -7.918 595 HG LEU 78 HG LEU 78 2.538 3.747 -7.067 596 1HD1 LEU 78 1HD1 LEU 78 2.557 2.134 -5.516 597 2HD1 LEU 78 2HD1 LEU 78 3.691 3.177 -4.659 598 3HD1 LEU 78 3HD1 LEU 78 4.292 1.866 -5.674 599 1HD2 LEU 78 1HD2 LEU 78 5.255 4.845 -6.580 600 2HD2 LEU 78 2HD2 LEU 78 4.026 5.081 -5.339 601 3HD2 LEU 78 3HD2 LEU 78 3.751 5.677 -6.976 602 H HIS 79 H HIS 79 1.631 4.611 -9.113 603 HA HIS 79 HA HIS 79 3.038 7.158 -9.470 604 1HB HIS 79 2HB HIS 79 0.799 6.077 -11.137 605 2HB HIS 79 1HB HIS 79 0.896 7.812 -10.853 606 HD1 HIS 79 1HD HIS 79 3.298 5.084 -12.006 607 HD2 HIS 79 2HD HIS 79 2.324 9.049 -12.774 608 HE1 HIS 79 1HE HIS 79 4.797 5.790 -13.898 609 HE2 HIS 79 2HE HIS 79 4.249 8.218 -14.288 610 H THR 80 H THR 80 2.398 8.700 -8.097 611 HA THR 80 HA THR 80 0.167 8.095 -6.306 612 HB THR 80 HB THR 80 2.316 10.216 -6.113 613 HG1 THR 80 1HG THR 80 3.149 8.134 -5.851 614 1HG2 THR 80 1HG2 THR 80 1.522 9.890 -3.593 615 2HG2 THR 80 2HG2 THR 80 -0.010 9.592 -4.411 616 3HG2 THR 80 3HG2 THR 80 0.843 11.115 -4.664 617 H ALA 81 H ALA 81 -1.437 9.673 -5.798 618 HA ALA 81 HA ALA 81 -1.710 11.841 -7.780 619 1HB ALA 81 1HB ALA 81 -3.151 10.083 -8.565 620 2HB ALA 81 2HB ALA 81 -4.150 11.370 -7.889 621 3HB ALA 81 3HB ALA 81 -3.867 9.896 -6.963 622 H ALA 82 H ALA 82 -2.812 13.699 -7.064 623 HA ALA 82 HA ALA 82 -3.880 13.742 -4.396 624 1HB ALA 82 1HB ALA 82 -1.677 15.688 -4.872 625 2HB ALA 82 2HB ALA 82 -1.344 14.075 -4.240 626 3HB ALA 82 3HB ALA 82 -2.406 15.169 -3.353 627 H SER 83 H SER 83 -4.910 15.717 -3.819 628 HA SER 83 HA SER 83 -5.565 17.476 -6.084 629 1HB SER 83 2HB SER 83 -7.456 16.012 -5.835 630 2HB SER 83 1HB SER 83 -7.437 16.189 -4.085 631 HG SER 83 HG SER 83 -8.339 17.966 -6.051 632 H CYS 84 H CYS 84 -4.975 19.504 -5.589 633 HA CYS 84 HA CYS 84 -4.956 20.278 -2.746 634 1HB CYS 84 2HB CYS 84 -3.281 22.012 -3.477 635 2HB CYS 84 1HB CYS 84 -2.737 20.343 -3.605 636 HG CYS 84 HG CYS 84 -3.301 20.590 -6.237 637 H TRP 85 H TRP 85 -6.271 21.805 -2.079 638 HA TRP 85 HA TRP 85 -8.021 23.175 -3.895 639 1HB TRP 85 2HB TRP 85 -8.276 22.347 -1.329 640 2HB TRP 85 1HB TRP 85 -7.857 24.035 -1.060 641 HD1 TRP 85 HD TRP 85 -10.401 22.101 -3.274 642 HE1 TRP 85 1HE TRP 85 -12.608 23.417 -3.255 643 HE3 TRP 85 3HE TRP 85 -8.973 26.050 -0.359 644 HZ2 TRP 85 2HZ TRP 85 -13.620 25.811 -2.152 645 HZ3 TRP 85 3HZ TRP 85 -10.622 27.811 0.132 646 HH2 TRP 85 HH TRP 85 -12.896 27.692 -0.748 647 H TRP 86 H TRP 86 -8.202 25.699 -2.506 648 HA TRP 86 HA TRP 86 -5.935 27.023 -3.743 649 1HB TRP 86 2HB TRP 86 -8.559 27.927 -2.607 650 2HB TRP 86 1HB TRP 86 -7.266 29.097 -2.847 651 HD1 TRP 86 HD TRP 86 -7.522 26.349 -5.436 652 HE1 TRP 86 1HE TRP 86 -8.415 27.339 -7.637 653 HE3 TRP 86 3HE TRP 86 -8.874 30.983 -3.751 654 HZ2 TRP 86 2HZ TRP 86 -9.544 29.765 -8.539 655 HZ3 TRP 86 3HZ TRP 86 -9.853 32.579 -5.347 656 HH2 TRP 86 HH TRP 86 -10.181 31.981 -7.692 657 H ASP 87 H ASP 87 -4.311 28.049 -2.699 658 HA ASP 87 HA ASP 87 -4.292 29.009 -0.093 659 1HB ASP 87 2HB ASP 87 -4.370 26.290 0.063 660 2HB ASP 87 1HB ASP 87 -2.631 26.568 0.046 661 H SER 88 H SER 88 -3.033 30.640 -0.839 662 HA SER 88 HA SER 88 -0.667 30.120 -2.402 663 1HB SER 88 2HB SER 88 -2.317 32.188 -2.440 664 2HB SER 88 1HB SER 88 -1.209 32.803 -1.214 665 HG SER 88 HG SER 88 -0.757 32.260 -3.920 666 H THR 89 H THR 89 -1.172 29.708 0.809 667 HA THR 89 HA THR 89 1.466 30.763 1.555 668 HB THR 89 HB THR 89 -0.251 31.639 2.977 669 HG1 THR 89 1HG THR 89 1.296 31.320 4.364 670 1HG2 THR 89 1HG2 THR 89 -1.950 29.860 2.613 671 2HG2 THR 89 2HG2 THR 89 -1.753 30.353 4.292 672 3HG2 THR 89 3HG2 THR 89 -1.044 28.842 3.731 673 H THR 90 H THR 90 -0.586 27.882 2.068 674 HA THR 90 HA THR 90 1.724 26.327 2.847 675 HB THR 90 HB THR 90 0.181 24.634 3.477 676 HG1 THR 90 1HG THR 90 -1.603 25.932 1.722 677 1HG2 THR 90 1HG2 THR 90 -0.803 25.680 5.152 678 2HG2 THR 90 2HG2 THR 90 -1.836 26.605 4.063 679 3HG2 THR 90 3HG2 THR 90 -0.217 27.185 4.448 680 H ASP 91 H ASP 91 2.318 27.116 0.433 681 HA ASP 91 HA ASP 91 1.769 24.789 -1.265 682 1HB ASP 91 2HB ASP 91 0.459 26.757 -2.034 683 2HB ASP 91 1HB ASP 91 1.968 27.637 -2.255 684 H GLY 92 H GLY 92 3.762 23.934 -0.550 685 1HA GLY 92 2HA GLY 92 6.079 25.186 -1.882 686 2HA GLY 92 1HA GLY 92 6.214 24.521 -0.261 687 H SER 93 H SER 93 4.085 22.642 -2.047 688 HA SER 93 HA SER 93 5.583 20.335 -1.964 689 1HB SER 93 2HB SER 93 3.941 19.404 -3.545 690 2HB SER 93 1HB SER 93 3.157 20.362 -2.288 691 HG SER 93 HG SER 93 3.480 20.908 -5.012 692 H ARG 94 H ARG 94 7.384 19.796 -2.934 693 HA ARG 94 HA ARG 94 7.707 20.197 -5.797 694 1HB ARG 94 2HB ARG 94 9.807 21.142 -3.831 695 2HB ARG 94 1HB ARG 94 9.946 21.154 -5.584 696 1HG ARG 94 2HG ARG 94 7.884 22.715 -4.046 697 2HG ARG 94 1HG ARG 94 9.434 23.367 -4.580 698 1HD ARG 94 2HD ARG 94 8.767 23.539 -6.724 699 2HD ARG 94 1HD ARG 94 7.862 22.027 -6.671 700 HE ARG 94 HE ARG 94 5.971 23.204 -6.124 701 1HH1 ARG 94 1HH1 ARG 94 8.746 25.308 -5.793 702 2HH1 ARG 94 2HH1 ARG 94 7.789 26.735 -5.582 703 1HH2 ARG 94 1HH2 ARG 94 4.723 25.083 -5.848 704 2HH2 ARG 94 2HH2 ARG 94 5.508 26.609 -5.613 705 H THR 95 H THR 95 8.201 18.210 -6.537 706 HA THR 95 HA THR 95 9.411 16.332 -4.702 707 HB THR 95 HB THR 95 7.345 15.922 -6.236 708 HG1 THR 95 1HG THR 95 9.415 14.122 -5.618 709 1HG2 THR 95 1HG2 THR 95 9.573 15.060 -8.056 710 2HG2 THR 95 2HG2 THR 95 8.387 16.324 -8.383 711 3HG2 THR 95 3HG2 THR 95 7.868 14.644 -8.234 712 H VAL 96 H VAL 96 11.186 15.028 -5.118 713 HA VAL 96 HA VAL 96 12.989 15.881 -7.276 714 HB VAL 96 HB VAL 96 13.887 15.502 -4.410 715 1HG1 VAL 96 1HG1 VAL 96 16.013 15.698 -5.105 716 2HG1 VAL 96 2HG1 VAL 96 15.612 16.899 -6.333 717 3HG1 VAL 96 3HG1 VAL 96 15.360 15.185 -6.662 718 1HG2 VAL 96 1HG2 VAL 96 14.182 17.871 -4.251 719 2HG2 VAL 96 2HG2 VAL 96 12.518 17.556 -4.744 720 3HG2 VAL 96 3HG2 VAL 96 13.704 18.095 -5.934 721 H ARG 97 H ARG 97 13.370 14.053 -8.416 722 HA ARG 97 HA ARG 97 13.111 11.471 -7.146 723 1HB ARG 97 2HB ARG 97 12.294 11.909 -9.455 724 2HB ARG 97 1HB ARG 97 13.962 12.125 -9.971 725 1HG ARG 97 2HG ARG 97 13.455 9.939 -10.578 726 2HG ARG 97 1HG ARG 97 14.353 9.765 -9.069 727 1HD ARG 97 2HD ARG 97 12.464 8.302 -8.980 728 2HD ARG 97 1HD ARG 97 12.176 9.639 -7.866 729 HE ARG 97 HE ARG 97 11.018 10.363 -10.267 730 1HH1 ARG 97 1HH1 ARG 97 10.617 7.797 -7.923 731 2HH1 ARG 97 2HH1 ARG 97 8.931 7.594 -8.257 732 1HH2 ARG 97 1HH2 ARG 97 8.803 10.090 -10.698 733 2HH2 ARG 97 2HH2 ARG 97 7.902 8.893 -9.829 734 H TRP 98 H TRP 98 14.712 10.800 -5.896 735 HA TRP 98 HA TRP 98 17.498 11.225 -6.765 736 1HB TRP 98 2HB TRP 98 16.185 11.644 -4.293 737 2HB TRP 98 1HB TRP 98 17.229 10.251 -4.054 738 HD1 TRP 98 HD TRP 98 19.037 11.343 -2.604 739 HE1 TRP 98 1HE TRP 98 20.780 13.203 -2.935 740 HE3 TRP 98 3HE TRP 98 17.332 13.226 -7.022 741 HZ2 TRP 98 2HZ TRP 98 21.353 15.205 -4.846 742 HZ3 TRP 98 3HZ TRP 98 18.529 15.115 -8.041 743 HH2 TRP 98 HH TRP 98 20.497 16.085 -6.973 744 H GLU 99 H GLU 99 18.651 9.480 -7.379 745 HA GLU 99 HA GLU 99 17.735 6.816 -6.531 746 1HB GLU 99 2HB GLU 99 18.668 7.532 -9.313 747 2HB GLU 99 1HB GLU 99 18.188 5.935 -8.763 748 1HG GLU 99 2HG GLU 99 16.224 6.497 -9.671 749 2HG GLU 99 1HG GLU 99 15.982 7.337 -8.141 750 H ASN 100 H ASN 100 19.444 5.113 -6.955 751 HA ASN 100 HA ASN 100 22.115 6.248 -6.439 752 1HB ASN 100 2HB ASN 100 22.513 4.027 -5.209 753 2HB ASN 100 1HB ASN 100 21.497 5.226 -4.415 754 1HD2 ASN 100 1HD2 ASN 100 21.778 2.066 -4.921 755 2HD2 ASN 100 2HD2 ASN 100 20.119 1.586 -4.897 756 H LYS 101 H LYS 101 20.522 3.271 -7.622 757 HA LYS 101 HA LYS 101 21.877 3.220 -10.070 758 1HB LYS 101 2HB LYS 101 23.375 1.226 -9.582 759 2HB LYS 101 1HB LYS 101 23.916 2.778 -8.957 760 1HG LYS 101 2HG LYS 101 24.264 1.560 -7.096 761 2HG LYS 101 1HG LYS 101 22.557 1.911 -6.825 762 1HD LYS 101 2HD LYS 101 22.355 -0.316 -6.612 763 2HD LYS 101 1HD LYS 101 22.407 -0.320 -8.375 764 1HE LYS 101 2HE LYS 101 24.355 -1.396 -8.393 765 2HE LYS 101 1HE LYS 101 25.068 -0.267 -7.244 766 1HZ LYS 101 1HZ LYS 101 23.221 -2.387 -6.345 767 2HZ LYS 101 2HZ LYS 101 24.377 -1.539 -5.448 768 3HZ LYS 101 3HZ LYS 101 24.868 -2.706 -6.570 769 H SER 102 H SER 102 20.701 1.075 -7.489 770 HA SER 102 HA SER 102 19.054 -0.296 -9.510 771 1HB SER 102 2HB SER 102 20.814 -1.824 -8.883 772 2HB SER 102 1HB SER 102 20.529 -1.522 -7.170 773 HG SER 102 HG SER 102 19.524 -3.439 -7.758 774 H MET 103 H MET 103 18.380 1.949 -7.815 775 HA MET 103 HA MET 103 15.887 1.016 -6.821 776 1HB MET 103 2HB MET 103 17.703 0.464 -5.005 777 2HB MET 103 1HB MET 103 17.588 2.182 -4.650 778 1HG MET 103 2HG MET 103 15.947 1.600 -3.267 779 2HG MET 103 1HG MET 103 14.964 1.452 -4.722 780 1HE MET 103 1HE MET 103 13.810 0.346 -2.633 781 2HE MET 103 2HE MET 103 14.830 -0.646 -1.593 782 3HE MET 103 3HE MET 103 13.653 -1.410 -2.661 783 H TYR 104 H TYR 104 14.448 2.648 -6.875 784 HA TYR 104 HA TYR 104 15.524 5.355 -7.290 785 1HB TYR 104 2HB TYR 104 13.026 3.966 -8.209 786 2HB TYR 104 1HB TYR 104 13.085 5.724 -8.141 787 HD1 TYR 104 1HD TYR 104 15.772 3.333 -9.122 788 HD2 TYR 104 2HD TYR 104 13.085 6.384 -10.375 789 HE1 TYR 104 1HE TYR 104 16.863 3.381 -11.325 790 HE2 TYR 104 2HE TYR 104 14.168 6.440 -12.582 791 HH TYR 104 HH TYR 104 15.668 4.434 -13.947 792 H CYS 105 H CYS 105 14.720 7.108 -6.144 793 HA CYS 105 HA CYS 105 12.730 6.612 -4.068 794 1HB CYS 105 2HB CYS 105 15.465 7.748 -3.450 795 2HB CYS 105 1HB CYS 105 14.138 7.565 -2.308 796 HG CYS 105 HG CYS 105 14.895 5.288 -1.882 797 H ILE 106 H ILE 106 11.254 8.121 -4.481 798 HA ILE 106 HA ILE 106 12.083 10.718 -5.513 799 HB ILE 106 HB ILE 106 10.245 9.804 -6.699 800 1HG1 ILE 106 2HG1 ILE 106 8.647 11.605 -4.951 801 2HG1 ILE 106 1HG1 ILE 106 10.093 12.276 -5.699 802 1HG2 ILE 106 1HG2 ILE 106 9.100 9.215 -4.004 803 2HG2 ILE 106 2HG2 ILE 106 9.379 8.125 -5.360 804 3HG2 ILE 106 3HG2 ILE 106 8.070 9.305 -5.430 805 1HD1 ILE 106 1HD1 ILE 106 8.843 10.958 -7.769 806 2HD1 ILE 106 2HD1 ILE 106 8.812 12.694 -7.461 807 3HD1 ILE 106 3HD1 ILE 106 7.514 11.665 -6.854 808 H CYS 107 H CYS 107 12.644 12.201 -4.095 809 HA CYS 107 HA CYS 107 11.268 12.305 -1.499 810 1HB CYS 107 2HB CYS 107 13.253 13.704 -0.803 811 2HB CYS 107 1HB CYS 107 13.617 12.022 -1.169 812 HG CYS 107 HG CYS 107 14.569 14.459 -2.786 813 H THR 108 H THR 108 9.689 13.756 -1.462 814 HA THR 108 HA THR 108 10.056 16.232 -2.999 815 HB THR 108 HB THR 108 8.116 14.701 -3.600 816 HG1 THR 108 1HG THR 108 6.976 16.420 -4.167 817 1HG2 THR 108 1HG2 THR 108 6.802 15.863 -1.164 818 2HG2 THR 108 2HG2 THR 108 7.421 14.213 -1.240 819 3HG2 THR 108 3HG2 THR 108 6.128 14.722 -2.327 820 H VAL 109 H VAL 109 9.977 18.147 -2.047 821 HA VAL 109 HA VAL 109 9.651 18.191 0.867 822 HB VAL 109 HB VAL 109 11.306 19.787 -1.054 823 1HG1 VAL 109 1HG1 VAL 109 10.111 20.905 1.448 824 2HG1 VAL 109 2HG1 VAL 109 10.381 21.684 -0.110 825 3HG1 VAL 109 3HG1 VAL 109 11.739 21.371 0.965 826 1HG2 VAL 109 1HG2 VAL 109 12.864 19.599 0.984 827 2HG2 VAL 109 2HG2 VAL 109 12.531 18.157 0.023 828 3HG2 VAL 109 3HG2 VAL 109 11.701 18.406 1.560 829 H PHE 110 H PHE 110 7.869 19.095 1.688 830 HA PHE 110 HA PHE 110 6.325 20.890 -0.049 831 1HB PHE 110 2HB PHE 110 5.513 18.893 2.024 832 2HB PHE 110 1HB PHE 110 4.473 20.269 1.680 833 HD1 PHE 110 1HD PHE 110 6.518 18.146 -0.601 834 HD2 PHE 110 2HD PHE 110 2.636 19.431 0.580 835 HE1 PHE 110 1HE PHE 110 5.538 16.915 -2.492 836 HE2 PHE 110 2HE PHE 110 1.651 18.200 -1.309 837 HZ PHE 110 HZ PHE 110 3.102 16.940 -2.848 838 H GLY 111 H GLY 111 7.054 22.861 0.473 839 1HA GLY 111 2HA GLY 111 7.488 23.527 3.289 840 2HA GLY 111 1HA GLY 111 8.027 24.482 1.915 841 H LEU 112 H LEU 112 5.310 23.676 4.005 842 HA LEU 112 HA LEU 112 3.634 25.637 2.641 843 1HB LEU 112 2HB LEU 112 3.160 23.776 4.962 844 2HB LEU 112 1HB LEU 112 1.970 24.944 4.424 845 HG LEU 112 HG LEU 112 1.537 23.786 2.437 846 1HD1 LEU 112 1HD1 LEU 112 2.944 21.956 1.568 847 2HD1 LEU 112 2HD1 LEU 112 4.141 22.341 2.806 848 3HD1 LEU 112 3HD1 LEU 112 3.743 23.528 1.563 849 1HD2 LEU 112 1HD2 LEU 112 1.522 21.307 3.117 850 2HD2 LEU 112 2HD2 LEU 112 0.550 22.461 4.031 851 3HD2 LEU 112 3HD2 LEU 112 2.098 21.906 4.671 852 H ALA 113 H ALA 113 3.825 27.688 3.046 853 HA ALA 113 HA ALA 113 5.367 28.842 4.994 854 1HB ALA 113 1HB ALA 113 3.011 30.036 3.565 855 2HB ALA 113 2HB ALA 113 4.701 30.086 3.068 856 3HB ALA 113 3HB ALA 113 4.182 30.955 4.511 857 H ILE 114 H ILE 114 1.944 29.602 5.156 858 HA ILE 114 HA ILE 114 0.508 29.836 6.908 859 HB ILE 114 HB ILE 114 2.149 27.663 8.216 860 1HG1 ILE 114 2HG1 ILE 114 -0.274 27.447 6.421 861 2HG1 ILE 114 1HG1 ILE 114 1.371 26.995 5.979 862 1HG2 ILE 114 1HG2 ILE 114 0.590 27.526 9.829 863 2HG2 ILE 114 2HG2 ILE 114 -0.739 27.820 8.709 864 3HG2 ILE 114 3HG2 ILE 114 0.191 29.175 9.347 865 1HD1 ILE 114 1HD1 ILE 114 0.911 25.565 8.285 866 2HD1 ILE 114 2HD1 ILE 114 0.822 24.949 6.636 867 3HD1 ILE 114 3HD1 ILE 114 -0.638 25.513 7.446 868 1H MET 1 1HT MET 1 -19.702 -12.257 -6.038 869 HA MET 1 HA MET 1 -19.837 -15.020 -6.931 870 1HB MET 1 2HB MET 1 -18.856 -14.114 -9.052 871 2HB MET 1 1HB MET 1 -20.542 -13.685 -8.799 872 1HG MET 1 2HG MET 1 -19.854 -11.475 -8.005 873 2HG MET 1 1HG MET 1 -18.168 -11.907 -8.288 874 1HE MET 1 1HE MET 1 -20.403 -9.560 -9.485 875 2HE MET 1 2HE MET 1 -21.563 -10.840 -9.845 876 3HE MET 1 3HE MET 1 -20.863 -9.890 -11.156 877 H GLU 2 H GLU 2 -17.604 -15.623 -7.683 878 HA GLU 2 HA GLU 2 -15.627 -14.469 -5.838 879 1HB GLU 2 2HB GLU 2 -16.313 -16.969 -5.777 880 2HB GLU 2 1HB GLU 2 -15.322 -17.118 -7.221 881 1HG GLU 2 2HG GLU 2 -13.665 -15.768 -5.516 882 2HG GLU 2 1HG GLU 2 -14.541 -16.842 -4.426 883 H GLY 3 H GLY 3 -13.999 -13.326 -6.649 884 1HA GLY 3 2HA GLY 3 -12.366 -13.917 -8.761 885 2HA GLY 3 1HA GLY 3 -13.695 -13.027 -9.490 886 H VAL 4 H VAL 4 -14.047 -10.839 -8.862 887 HA VAL 4 HA VAL 4 -11.575 -9.473 -8.214 888 HB VAL 4 HB VAL 4 -14.267 -8.237 -8.796 889 1HG1 VAL 4 1HG1 VAL 4 -12.718 -6.697 -7.778 890 2HG1 VAL 4 2HG1 VAL 4 -12.886 -6.302 -9.489 891 3HG1 VAL 4 3HG1 VAL 4 -11.454 -7.159 -8.918 892 1HG2 VAL 4 1HG2 VAL 4 -13.186 -7.919 -11.115 893 2HG2 VAL 4 2HG2 VAL 4 -13.874 -9.493 -10.716 894 3HG2 VAL 4 3HG2 VAL 4 -12.129 -9.248 -10.637 895 H ASP 5 H ASP 5 -11.092 -8.488 -6.333 896 HA ASP 5 HA ASP 5 -13.184 -8.417 -4.257 897 1HB ASP 5 2HB ASP 5 -10.957 -9.944 -4.139 898 2HB ASP 5 1HB ASP 5 -10.343 -8.460 -3.417 899 HA PRO 6 HA PRO 6 -12.063 -4.016 -4.895 900 1HB PRO 6 2HB PRO 6 -14.362 -3.024 -3.829 901 2HB PRO 6 1HB PRO 6 -14.227 -3.555 -5.509 902 1HG PRO 6 2HG PRO 6 -15.345 -5.015 -3.147 903 2HG PRO 6 1HG PRO 6 -15.986 -4.898 -4.797 904 1HD PRO 6 2HD PRO 6 -14.629 -7.064 -3.932 905 2HD PRO 6 1HD PRO 6 -14.529 -6.494 -5.610 906 H ALA 7 H ALA 7 -11.174 -2.597 -3.467 907 HA ALA 7 HA ALA 7 -10.353 -1.740 -1.529 908 1HB ALA 7 1HB ALA 7 -12.862 -2.976 -0.412 909 2HB ALA 7 2HB ALA 7 -12.590 -1.293 -0.859 910 3HB ALA 7 3HB ALA 7 -11.756 -1.983 0.533 911 H VAL 8 H VAL 8 -11.802 -4.661 -0.167 912 HA VAL 8 HA VAL 8 -10.960 -6.499 0.870 913 HB VAL 8 HB VAL 8 -8.143 -6.307 0.057 914 1HG1 VAL 8 1HG1 VAL 8 -9.756 -8.265 0.883 915 2HG1 VAL 8 2HG1 VAL 8 -8.302 -8.542 -0.076 916 3HG1 VAL 8 3HG1 VAL 8 -9.882 -8.500 -0.861 917 1HG2 VAL 8 1HG2 VAL 8 -8.944 -7.110 -2.342 918 2HG2 VAL 8 2HG2 VAL 8 -8.547 -5.431 -1.976 919 3HG2 VAL 8 3HG2 VAL 8 -10.230 -5.953 -1.999 920 H GLU 9 H GLU 9 -8.116 -4.419 0.694 921 HA GLU 9 HA GLU 9 -7.747 -4.679 3.572 922 1HB GLU 9 2HB GLU 9 -5.815 -3.279 1.765 923 2HB GLU 9 1HB GLU 9 -5.514 -4.209 3.213 924 1HG GLU 9 2HG GLU 9 -6.375 -5.404 0.602 925 2HG GLU 9 1HG GLU 9 -4.704 -5.289 1.150 926 H GLU 10 H GLU 10 -9.310 -3.232 4.341 927 HA GLU 10 HA GLU 10 -9.366 -0.500 3.427 928 1HB GLU 10 2HB GLU 10 -11.307 -1.949 4.407 929 2HB GLU 10 1HB GLU 10 -10.666 -1.437 5.961 930 1HG GLU 10 2HG GLU 10 -11.139 0.679 3.956 931 2HG GLU 10 1HG GLU 10 -12.562 -0.102 4.645 932 H ALA 11 H ALA 11 -8.158 1.122 4.155 933 HA ALA 11 HA ALA 11 -6.656 0.727 6.658 934 1HB ALA 11 1HB ALA 11 -5.816 2.777 4.679 935 2HB ALA 11 2HB ALA 11 -5.538 1.079 4.291 936 3HB ALA 11 3HB ALA 11 -4.843 1.775 5.755 937 H ALA 12 H ALA 12 -6.155 2.704 7.887 938 HA ALA 12 HA ALA 12 -6.822 4.505 9.101 939 1HB ALA 12 1HB ALA 12 -7.911 5.339 6.419 940 2HB ALA 12 2HB ALA 12 -6.346 5.758 7.117 941 3HB ALA 12 3HB ALA 12 -7.828 6.393 7.832 942 H PHE 13 H PHE 13 -8.778 5.821 9.802 943 HA PHE 13 HA PHE 13 -11.275 4.304 9.518 944 1HB PHE 13 2HB PHE 13 -9.778 3.952 11.718 945 2HB PHE 13 1HB PHE 13 -10.653 5.397 12.213 946 HD1 PHE 13 1HD PHE 13 -10.803 1.841 11.729 947 HD2 PHE 13 2HD PHE 13 -13.158 5.347 12.246 948 HE1 PHE 13 1HE PHE 13 -12.731 0.449 12.359 949 HE2 PHE 13 2HE PHE 13 -15.091 3.962 12.877 950 HZ PHE 13 HZ PHE 13 -14.879 1.508 12.935 951 H VAL 14 H VAL 14 -10.694 6.622 8.157 952 HA VAL 14 HA VAL 14 -11.384 9.036 9.367 953 HB VAL 14 HB VAL 14 -12.093 8.321 6.523 954 1HG1 VAL 14 1HG1 VAL 14 -12.946 10.450 7.152 955 2HG1 VAL 14 2HG1 VAL 14 -11.511 10.735 6.169 956 3HG1 VAL 14 3HG1 VAL 14 -11.427 10.902 7.923 957 1HG2 VAL 14 1HG2 VAL 14 -9.890 7.670 6.508 958 2HG2 VAL 14 2HG2 VAL 14 -9.433 8.805 7.779 959 3HG2 VAL 14 3HG2 VAL 14 -9.731 9.388 6.141 960 H ALA 15 H ALA 15 -13.373 10.304 9.095 961 HA ALA 15 HA ALA 15 -15.615 9.082 10.170 962 1HB ALA 15 1HB ALA 15 -15.651 11.565 8.461 963 2HB ALA 15 2HB ALA 15 -15.139 11.529 10.149 964 3HB ALA 15 3HB ALA 15 -16.799 11.115 9.722 965 H ASP 16 H ASP 16 -17.757 8.769 9.240 966 HA ASP 16 HA ASP 16 -17.720 7.071 7.013 967 1HB ASP 16 2HB ASP 16 -20.245 7.318 7.123 968 2HB ASP 16 1HB ASP 16 -19.458 6.773 8.601 969 H ASP 17 H ASP 17 -18.681 10.466 7.316 970 HA ASP 17 HA ASP 17 -19.728 10.839 4.763 971 1HB ASP 17 2HB ASP 17 -19.835 12.441 6.711 972 2HB ASP 17 1HB ASP 17 -18.187 12.918 6.314 973 H VAL 18 H VAL 18 -16.410 11.506 5.881 974 HA VAL 18 HA VAL 18 -15.467 12.144 3.249 975 HB VAL 18 HB VAL 18 -13.759 11.425 5.624 976 1HG1 VAL 18 1HG1 VAL 18 -12.178 12.986 4.556 977 2HG1 VAL 18 2HG1 VAL 18 -13.304 13.167 3.209 978 3HG1 VAL 18 3HG1 VAL 18 -12.564 11.600 3.535 979 1HG2 VAL 18 1HG2 VAL 18 -15.102 13.068 6.559 980 2HG2 VAL 18 2HG2 VAL 18 -15.279 13.934 5.033 981 3HG2 VAL 18 3HG2 VAL 18 -13.751 13.999 5.911 982 H SER 19 H SER 19 -15.426 9.273 5.280 983 HA SER 19 HA SER 19 -13.582 7.810 3.702 984 1HB SER 19 2HB SER 19 -14.216 5.897 5.013 985 2HB SER 19 1HB SER 19 -14.179 7.296 6.088 986 HG SER 19 HG SER 19 -16.147 5.661 5.819 987 H ASN 20 H ASN 20 -17.135 7.930 3.759 988 HA ASN 20 HA ASN 20 -17.449 5.891 1.813 989 1HB ASN 20 2HB ASN 20 -19.720 6.215 2.016 990 2HB ASN 20 1HB ASN 20 -19.168 6.903 3.534 991 1HD2 ASN 20 1HD2 ASN 20 -19.160 9.177 3.769 992 2HD2 ASN 20 2HD2 ASN 20 -20.154 10.180 2.776 993 H ILE 21 H ILE 21 -17.401 9.426 1.573 994 HA ILE 21 HA ILE 21 -18.073 9.708 -1.114 995 HB ILE 21 HB ILE 21 -16.263 11.361 0.666 996 1HG1 ILE 21 2HG1 ILE 21 -19.018 12.004 -0.378 997 2HG1 ILE 21 1HG1 ILE 21 -18.760 11.113 1.116 998 1HG2 ILE 21 1HG2 ILE 21 -16.535 13.192 -0.996 999 2HG2 ILE 21 2HG2 ILE 21 -17.222 12.020 -2.120 1000 3HG2 ILE 21 3HG2 ILE 21 -15.553 11.849 -1.581 1001 1HD1 ILE 21 1HD1 ILE 21 -17.506 13.010 2.019 1002 2HD1 ILE 21 2HD1 ILE 21 -19.151 13.457 1.564 1003 3HD1 ILE 21 3HD1 ILE 21 -17.796 13.900 0.525 1004 H ILE 22 H ILE 22 -14.775 9.450 0.284 1005 HA ILE 22 HA ILE 22 -13.442 9.495 -2.174 1006 HB ILE 22 HB ILE 22 -12.499 9.767 0.210 1007 1HG1 ILE 22 2HG1 ILE 22 -11.106 10.023 -1.725 1008 2HG1 ILE 22 1HG1 ILE 22 -10.234 9.059 -0.539 1009 1HG2 ILE 22 1HG2 ILE 22 -11.402 7.824 1.178 1010 2HG2 ILE 22 2HG2 ILE 22 -12.117 6.794 -0.062 1011 3HG2 ILE 22 3HG2 ILE 22 -13.151 7.606 1.112 1012 1HD1 ILE 22 1HD1 ILE 22 -11.562 8.128 -3.054 1013 2HD1 ILE 22 2HD1 ILE 22 -10.987 7.027 -1.804 1014 3HD1 ILE 22 3HD1 ILE 22 -9.852 8.082 -2.646 1015 H LYS 23 H LYS 23 -14.371 6.666 -0.191 1016 HA LYS 23 HA LYS 23 -13.456 4.700 -1.972 1017 1HB LYS 23 2HB LYS 23 -15.690 4.670 0.049 1018 2HB LYS 23 1HB LYS 23 -15.100 3.237 -0.772 1019 1HG LYS 23 2HG LYS 23 -12.980 3.413 0.236 1020 2HG LYS 23 1HG LYS 23 -13.340 5.027 0.849 1021 1HD LYS 23 2HD LYS 23 -15.397 3.364 1.803 1022 2HD LYS 23 1HD LYS 23 -13.905 2.469 2.026 1023 1HE LYS 23 2HE LYS 23 -13.208 4.968 2.867 1024 2HE LYS 23 1HE LYS 23 -14.887 4.848 3.377 1025 1HZ LYS 23 1HZ LYS 23 -13.293 4.064 5.065 1026 2HZ LYS 23 2HZ LYS 23 -12.799 2.837 4.012 1027 3HZ LYS 23 3HZ LYS 23 -14.387 2.862 4.595 1028 H GLU 24 H GLU 24 -16.709 5.981 -1.456 1029 HA GLU 24 HA GLU 24 -18.066 4.686 -3.509 1030 1HB GLU 24 2HB GLU 24 -18.448 7.440 -2.321 1031 2HB GLU 24 1HB GLU 24 -19.553 6.766 -3.499 1032 1HG GLU 24 2HG GLU 24 -19.032 4.973 -1.263 1033 2HG GLU 24 1HG GLU 24 -19.752 6.509 -0.783 1034 H SER 25 H SER 25 -15.998 7.502 -3.566 1035 HA SER 25 HA SER 25 -16.575 8.390 -6.170 1036 1HB SER 25 2HB SER 25 -14.534 8.931 -4.126 1037 2HB SER 25 1HB SER 25 -13.943 9.114 -5.777 1038 HG SER 25 HG SER 25 -15.411 10.683 -6.141 1039 H ILE 26 H ILE 26 -14.044 6.148 -4.941 1040 HA ILE 26 HA ILE 26 -12.820 5.698 -7.438 1041 HB ILE 26 HB ILE 26 -13.008 3.955 -4.984 1042 1HG1 ILE 26 2HG1 ILE 26 -10.512 4.306 -5.062 1043 2HG1 ILE 26 1HG1 ILE 26 -10.785 5.438 -6.381 1044 1HG2 ILE 26 1HG2 ILE 26 -12.177 3.132 -7.700 1045 2HG2 ILE 26 2HG2 ILE 26 -12.751 2.159 -6.347 1046 3HG2 ILE 26 3HG2 ILE 26 -11.072 2.695 -6.396 1047 1HD1 ILE 26 1HD1 ILE 26 -12.177 6.792 -4.882 1048 2HD1 ILE 26 2HD1 ILE 26 -10.514 6.627 -4.320 1049 3HD1 ILE 26 3HD1 ILE 26 -11.799 5.681 -3.567 1050 H ASP 27 H ASP 27 -15.537 4.071 -5.863 1051 HA ASP 27 HA ASP 27 -16.002 2.043 -7.678 1052 1HB ASP 27 2HB ASP 27 -17.232 2.274 -5.570 1053 2HB ASP 27 1HB ASP 27 -18.043 3.706 -6.185 1054 H ALA 28 H ALA 28 -16.791 5.446 -7.898 1055 HA ALA 28 HA ALA 28 -18.225 5.081 -10.414 1056 1HB ALA 28 1HB ALA 28 -17.589 7.601 -8.876 1057 2HB ALA 28 2HB ALA 28 -19.081 6.668 -8.754 1058 3HB ALA 28 3HB ALA 28 -18.668 7.475 -10.267 1059 H VAL 29 H VAL 29 -15.283 6.603 -9.220 1060 HA VAL 29 HA VAL 29 -14.440 7.606 -11.723 1061 HB VAL 29 HB VAL 29 -13.562 7.696 -8.944 1062 1HG1 VAL 29 1HG1 VAL 29 -11.487 6.846 -9.361 1063 2HG1 VAL 29 2HG1 VAL 29 -11.258 8.559 -9.638 1064 3HG1 VAL 29 3HG1 VAL 29 -11.437 7.472 -11.006 1065 1HG2 VAL 29 1HG2 VAL 29 -12.654 9.836 -10.630 1066 2HG2 VAL 29 2HG2 VAL 29 -13.820 9.850 -9.310 1067 3HG2 VAL 29 3HG2 VAL 29 -14.343 9.444 -10.941 1068 H LEU 30 H LEU 30 -14.560 4.454 -10.624 1069 HA LEU 30 HA LEU 30 -12.438 3.706 -12.504 1070 1HB LEU 30 2HB LEU 30 -13.078 2.529 -9.828 1071 2HB LEU 30 1HB LEU 30 -12.330 1.547 -11.073 1072 HG LEU 30 HG LEU 30 -10.603 2.419 -9.629 1073 1HD1 LEU 30 1HD1 LEU 30 -10.419 4.184 -12.018 1074 2HD1 LEU 30 2HD1 LEU 30 -10.400 2.434 -12.225 1075 3HD1 LEU 30 3HD1 LEU 30 -9.165 3.222 -11.241 1076 1HD2 LEU 30 1HD2 LEU 30 -11.180 5.218 -10.410 1077 2HD2 LEU 30 2HD2 LEU 30 -10.394 4.586 -8.964 1078 3HD2 LEU 30 3HD2 LEU 30 -12.145 4.499 -9.127 1079 H GLN 31 H GLN 31 -15.636 2.861 -11.152 1080 HA GLN 31 HA GLN 31 -15.985 0.690 -13.010 1081 1HB GLN 31 2HB GLN 31 -17.161 0.933 -10.764 1082 2HB GLN 31 1HB GLN 31 -18.191 2.108 -11.554 1083 1HG GLN 31 2HG GLN 31 -18.954 0.481 -13.122 1084 2HG GLN 31 1HG GLN 31 -17.856 -0.708 -12.442 1085 1HE2 GLN 31 1HE2 GLN 31 -20.948 -0.060 -12.601 1086 2HE2 GLN 31 2HE2 GLN 31 -21.491 -0.564 -11.040 1087 H ASN 32 H ASN 32 -16.484 4.125 -13.102 1088 HA ASN 32 HA ASN 32 -18.477 4.551 -14.901 1089 1HB ASN 32 2HB ASN 32 -17.022 6.458 -15.781 1090 2HB ASN 32 1HB ASN 32 -17.335 6.437 -14.048 1091 1HD2 ASN 32 1HD2 ASN 32 -15.062 7.292 -16.014 1092 2HD2 ASN 32 2HD2 ASN 32 -13.646 6.772 -15.176 1093 H GLN 33 H GLN 33 -15.364 3.116 -15.582 1094 HA GLN 33 HA GLN 33 -16.288 2.473 -18.279 1095 1HB GLN 33 2HB GLN 33 -14.582 4.553 -17.974 1096 2HB GLN 33 1HB GLN 33 -13.434 3.229 -18.108 1097 1HG GLN 33 2HG GLN 33 -13.608 3.550 -20.303 1098 2HG GLN 33 1HG GLN 33 -15.143 2.693 -20.160 1099 1HE2 GLN 33 1HE2 GLN 33 -16.889 3.692 -20.868 1100 2HE2 GLN 33 2HE2 GLN 33 -17.036 5.385 -21.174 1101 H GLN 34 H GLN 34 -13.985 1.234 -19.206 1102 HA GLN 34 HA GLN 34 -14.048 -1.205 -17.670 1103 1HB GLN 34 2HB GLN 34 -13.833 -0.727 -20.317 1104 2HB GLN 34 1HB GLN 34 -12.132 -0.928 -19.913 1105 1HG GLN 34 2HG GLN 34 -12.482 -3.103 -20.187 1106 2HG GLN 34 1HG GLN 34 -13.307 -3.047 -18.632 1107 1HE2 GLN 34 1HE2 GLN 34 -15.046 -4.271 -18.770 1108 2HE2 GLN 34 2HE2 GLN 34 -16.198 -4.258 -20.057 1109 H TYR 35 H TYR 35 -11.735 -2.369 -17.601 1110 HA TYR 35 HA TYR 35 -10.153 -0.689 -15.836 1111 1HB TYR 35 2HB TYR 35 -10.699 -2.930 -15.071 1112 2HB TYR 35 1HB TYR 35 -9.967 -3.634 -16.507 1113 HD1 TYR 35 1HD TYR 35 -9.286 -1.958 -13.300 1114 HD2 TYR 35 2HD TYR 35 -7.588 -3.903 -16.682 1115 HE1 TYR 35 1HE TYR 35 -7.135 -2.123 -12.119 1116 HE2 TYR 35 2HE TYR 35 -5.433 -4.074 -15.510 1117 HH TYR 35 HH TYR 35 -4.606 -4.094 -13.170 1118 H SER 36 H SER 36 -8.658 0.558 -16.711 1119 HA SER 36 HA SER 36 -6.836 -0.603 -18.700 1120 1HB SER 36 2HB SER 36 -8.516 1.816 -18.964 1121 2HB SER 36 1HB SER 36 -6.835 2.008 -19.459 1122 HG SER 36 HG SER 36 -7.406 1.044 -21.225 1123 H GLU 37 H GLU 37 -4.730 -0.352 -18.165 1124 HA GLU 37 HA GLU 37 -3.978 0.742 -15.699 1125 1HB GLU 37 2HB GLU 37 -2.650 -0.962 -16.886 1126 2HB GLU 37 1HB GLU 37 -2.210 0.237 -18.095 1127 1HG GLU 37 2HG GLU 37 -0.487 0.838 -16.854 1128 2HG GLU 37 1HG GLU 37 -1.590 1.352 -15.588 1129 H ALA 38 H ALA 38 -3.918 2.107 -18.949 1130 HA ALA 38 HA ALA 38 -2.456 4.428 -18.444 1131 1HB ALA 38 1HB ALA 38 -4.735 3.956 -20.355 1132 2HB ALA 38 2HB ALA 38 -3.011 3.791 -20.688 1133 3HB ALA 38 3HB ALA 38 -3.700 5.383 -20.372 1134 H LYS 39 H LYS 39 -5.749 3.595 -17.692 1135 HA LYS 39 HA LYS 39 -6.322 6.311 -16.782 1136 1HB LYS 39 2HB LYS 39 -7.949 3.948 -17.539 1137 2HB LYS 39 1HB LYS 39 -8.602 5.004 -16.302 1138 1HG LYS 39 2HG LYS 39 -9.498 5.903 -18.196 1139 2HG LYS 39 1HG LYS 39 -8.056 6.895 -17.987 1140 1HD LYS 39 2HD LYS 39 -8.203 6.261 -20.283 1141 2HD LYS 39 1HD LYS 39 -6.872 5.364 -19.553 1142 1HE LYS 39 2HE LYS 39 -7.809 3.528 -20.405 1143 2HE LYS 39 1HE LYS 39 -9.064 3.717 -19.181 1144 1HZ LYS 39 1HZ LYS 39 -10.145 3.528 -21.252 1145 2HZ LYS 39 2HZ LYS 39 -9.121 4.652 -21.992 1146 3HZ LYS 39 3HZ LYS 39 -10.240 5.166 -20.833 1147 H VAL 40 H VAL 40 -5.395 3.230 -15.576 1148 HA VAL 40 HA VAL 40 -6.533 3.060 -13.086 1149 HB VAL 40 HB VAL 40 -3.916 2.179 -14.224 1150 1HG1 VAL 40 1HG1 VAL 40 -3.611 0.895 -11.972 1151 2HG1 VAL 40 2HG1 VAL 40 -4.481 2.274 -11.298 1152 3HG1 VAL 40 3HG1 VAL 40 -2.964 2.525 -12.163 1153 1HG2 VAL 40 1HG2 VAL 40 -6.189 1.041 -14.466 1154 2HG2 VAL 40 2HG2 VAL 40 -5.964 0.535 -12.793 1155 3HG2 VAL 40 3HG2 VAL 40 -4.806 0.040 -14.026 1156 H SER 41 H SER 41 -4.149 5.349 -14.185 1157 HA SER 41 HA SER 41 -3.771 6.333 -11.443 1158 1HB SER 41 2HB SER 41 -1.826 7.504 -12.251 1159 2HB SER 41 1HB SER 41 -1.741 5.847 -12.849 1160 HG SER 41 HG SER 41 -1.370 6.978 -14.638 1161 H GLN 42 H GLN 42 -4.849 7.277 -14.656 1162 HA GLN 42 HA GLN 42 -5.296 10.013 -14.027 1163 1HB GLN 42 2HB GLN 42 -6.146 8.192 -16.248 1164 2HB GLN 42 1HB GLN 42 -6.913 9.764 -16.083 1165 1HG GLN 42 2HG GLN 42 -5.012 9.715 -17.671 1166 2HG GLN 42 1HG GLN 42 -4.839 10.891 -16.372 1167 1HE2 GLN 42 1HE2 GLN 42 -3.421 10.365 -14.612 1168 2HE2 GLN 42 2HE2 GLN 42 -2.082 9.305 -14.868 1169 H TRP 43 H TRP 43 -7.255 7.115 -13.730 1170 HA TRP 43 HA TRP 43 -9.707 8.401 -13.323 1171 1HB TRP 43 2HB TRP 43 -8.654 5.729 -12.531 1172 2HB TRP 43 1HB TRP 43 -10.214 6.267 -11.938 1173 HD1 TRP 43 HD TRP 43 -9.622 3.795 -13.919 1174 HE1 TRP 43 1HE TRP 43 -10.880 3.678 -16.128 1175 HE3 TRP 43 3HE TRP 43 -11.059 8.725 -14.409 1176 HZ2 TRP 43 2HZ TRP 43 -12.287 5.363 -17.867 1177 HZ3 TRP 43 3HZ TRP 43 -12.354 9.356 -16.385 1178 HH2 TRP 43 HH TRP 43 -12.961 7.711 -18.079 1179 H THR 44 H THR 44 -7.342 7.208 -10.945 1180 HA THR 44 HA THR 44 -8.697 8.040 -8.666 1181 HB THR 44 HB THR 44 -6.617 6.629 -8.756 1182 HG1 THR 44 1HG THR 44 -7.315 7.299 -6.776 1183 1HG2 THR 44 1HG2 THR 44 -4.716 8.625 -8.202 1184 2HG2 THR 44 2HG2 THR 44 -5.443 9.005 -9.763 1185 3HG2 THR 44 3HG2 THR 44 -4.704 7.426 -9.494 1186 H SER 45 H SER 45 -6.985 9.898 -11.018 1187 HA SER 45 HA SER 45 -6.673 12.252 -9.428 1188 1HB SER 45 2HB SER 45 -6.056 11.440 -12.124 1189 2HB SER 45 1HB SER 45 -6.887 12.992 -12.155 1190 HG SER 45 HG SER 45 -4.966 13.727 -11.702 1191 H SER 46 H SER 46 -9.072 10.918 -11.618 1192 HA SER 46 HA SER 46 -10.867 13.119 -11.558 1193 1HB SER 46 2HB SER 46 -11.054 10.256 -12.390 1194 2HB SER 46 1HB SER 46 -12.552 11.137 -12.104 1195 HG SER 46 HG SER 46 -11.938 12.626 -13.661 1196 H CYS 47 H CYS 47 -10.320 10.297 -9.556 1197 HA CYS 47 HA CYS 47 -12.607 10.493 -7.892 1198 1HB CYS 47 2HB CYS 47 -11.333 8.476 -7.709 1199 2HB CYS 47 1HB CYS 47 -9.837 9.345 -7.486 1200 HG CYS 47 HG CYS 47 -10.259 9.470 -5.050 1201 H LEU 48 H LEU 48 -9.396 11.875 -7.854 1202 HA LEU 48 HA LEU 48 -9.569 13.220 -5.406 1203 1HB LEU 48 2HB LEU 48 -7.821 13.272 -7.790 1204 2HB LEU 48 1HB LEU 48 -7.822 14.725 -6.813 1205 HG LEU 48 HG LEU 48 -6.797 13.711 -5.041 1206 1HD1 LEU 48 1HD1 LEU 48 -8.166 11.211 -5.948 1207 2HD1 LEU 48 2HD1 LEU 48 -8.262 12.038 -4.393 1208 3HD1 LEU 48 3HD1 LEU 48 -6.810 11.132 -4.821 1209 1HD2 LEU 48 1HD2 LEU 48 -5.360 13.604 -7.071 1210 2HD2 LEU 48 2HD2 LEU 48 -5.859 11.925 -7.277 1211 3HD2 LEU 48 3HD2 LEU 48 -4.954 12.406 -5.842 1212 H GLU 49 H GLU 49 -10.544 14.088 -8.675 1213 HA GLU 49 HA GLU 49 -11.236 16.750 -7.849 1214 1HB GLU 49 2HB GLU 49 -10.665 16.019 -10.257 1215 2HB GLU 49 1HB GLU 49 -12.352 15.508 -10.324 1216 1HG GLU 49 2HG GLU 49 -12.901 17.844 -9.455 1217 2HG GLU 49 1HG GLU 49 -11.255 18.266 -9.897 1218 H HIS 50 H HIS 50 -12.786 13.647 -8.113 1219 HA HIS 50 HA HIS 50 -15.423 14.706 -7.572 1220 1HB HIS 50 2HB HIS 50 -14.307 11.936 -7.944 1221 2HB HIS 50 1HB HIS 50 -15.945 12.186 -7.348 1222 HD1 HIS 50 1HD HIS 50 -17.493 13.703 -9.027 1223 HD2 HIS 50 2HD HIS 50 -14.110 11.917 -10.649 1224 HE1 HIS 50 1HE HIS 50 -17.855 13.714 -11.514 1225 HE2 HIS 50 2HE HIS 50 -15.757 12.707 -12.480 1226 H CYS 51 H CYS 51 -12.761 14.321 -5.672 1227 HA CYS 51 HA CYS 51 -14.277 13.475 -3.299 1228 1HB CYS 51 2HB CYS 51 -12.003 12.363 -3.937 1229 2HB CYS 51 1HB CYS 51 -11.261 13.872 -3.423 1230 HG CYS 51 HG CYS 51 -13.008 12.760 -1.235 1231 H ILE 52 H ILE 52 -12.113 15.883 -4.621 1232 HA ILE 52 HA ILE 52 -12.262 17.736 -2.485 1233 HB ILE 52 HB ILE 52 -10.406 17.702 -4.044 1234 1HG1 ILE 52 2HG1 ILE 52 -11.068 19.855 -2.950 1235 2HG1 ILE 52 1HG1 ILE 52 -10.075 19.998 -4.391 1236 1HG2 ILE 52 1HG2 ILE 52 -12.232 17.300 -5.996 1237 2HG2 ILE 52 2HG2 ILE 52 -10.532 17.679 -6.245 1238 3HG2 ILE 52 3HG2 ILE 52 -11.736 18.960 -6.302 1239 1HD1 ILE 52 1HD1 ILE 52 -12.547 20.205 -5.437 1240 2HD1 ILE 52 2HD1 ILE 52 -11.535 21.561 -4.952 1241 3HD1 ILE 52 3HD1 ILE 52 -12.771 20.947 -3.860 1242 H LYS 53 H LYS 53 -14.123 17.230 -5.436 1243 HA LYS 53 HA LYS 53 -15.558 19.699 -5.210 1244 1HB LYS 53 2HB LYS 53 -15.689 17.331 -7.007 1245 2HB LYS 53 1HB LYS 53 -17.123 18.322 -6.880 1246 1HG LYS 53 2HG LYS 53 -15.515 18.816 -8.783 1247 2HG LYS 53 1HG LYS 53 -16.087 20.176 -7.833 1248 1HD LYS 53 2HD LYS 53 -13.678 19.168 -6.670 1249 2HD LYS 53 1HD LYS 53 -13.427 19.419 -8.388 1250 1HE LYS 53 2HE LYS 53 -12.855 21.410 -7.082 1251 2HE LYS 53 1HE LYS 53 -14.182 21.712 -8.199 1252 1HZ LYS 53 1HZ LYS 53 -14.373 21.288 -5.269 1253 2HZ LYS 53 2HZ LYS 53 -15.715 21.360 -6.295 1254 3HZ LYS 53 3HZ LYS 53 -14.710 22.708 -6.122 1255 H ARG 54 H ARG 54 -15.988 16.478 -3.961 1256 HA ARG 54 HA ARG 54 -18.788 16.800 -3.412 1257 1HB ARG 54 2HB ARG 54 -17.749 14.582 -3.757 1258 2HB ARG 54 1HB ARG 54 -16.809 14.808 -2.289 1259 1HG ARG 54 2HG ARG 54 -18.490 13.669 -1.339 1260 2HG ARG 54 1HG ARG 54 -19.294 15.235 -1.342 1261 1HD ARG 54 2HD ARG 54 -20.914 14.291 -2.512 1262 2HD ARG 54 1HD ARG 54 -19.802 14.198 -3.865 1263 HE ARG 54 HE ARG 54 -20.592 12.038 -2.074 1264 1HH1 ARG 54 1HH1 ARG 54 -18.527 13.053 -4.721 1265 2HH1 ARG 54 2HH1 ARG 54 -18.168 11.436 -5.207 1266 1HH2 ARG 54 1HH2 ARG 54 -20.107 9.927 -2.732 1267 2HH2 ARG 54 2HH2 ARG 54 -19.059 9.668 -4.087 1268 H LEU 55 H LEU 55 -15.798 16.841 -1.557 1269 HA LEU 55 HA LEU 55 -16.969 17.377 0.943 1270 1HB LEU 55 2HB LEU 55 -14.227 18.120 -0.055 1271 2HB LEU 55 1HB LEU 55 -14.723 18.032 1.621 1272 HG LEU 55 HG LEU 55 -13.610 15.982 -0.029 1273 1HD1 LEU 55 1HD1 LEU 55 -13.168 16.615 2.342 1274 2HD1 LEU 55 2HD1 LEU 55 -13.289 14.887 2.010 1275 3HD1 LEU 55 3HD1 LEU 55 -14.634 15.737 2.761 1276 1HD2 LEU 55 1HD2 LEU 55 -15.223 14.138 0.763 1277 2HD2 LEU 55 2HD2 LEU 55 -15.640 15.046 -0.690 1278 3HD2 LEU 55 3HD2 LEU 55 -16.425 15.427 0.843 1279 H THR 56 H THR 56 -15.362 19.552 -1.352 1280 HA THR 56 HA THR 56 -15.978 21.910 0.053 1281 HB THR 56 HB THR 56 -15.335 23.076 -1.995 1282 HG1 THR 56 1HG THR 56 -16.315 21.709 -3.520 1283 1HG2 THR 56 1HG2 THR 56 -13.114 22.097 -2.324 1284 2HG2 THR 56 2HG2 THR 56 -13.625 20.664 -1.438 1285 3HG2 THR 56 3HG2 THR 56 -13.541 22.224 -0.622 1286 H ALA 57 H ALA 57 -17.844 19.867 -2.028 1287 HA ALA 57 HA ALA 57 -19.852 21.752 -2.752 1288 1HB ALA 57 1HB ALA 57 -20.128 19.911 -4.073 1289 2HB ALA 57 2HB ALA 57 -21.193 19.406 -2.762 1290 3HB ALA 57 3HB ALA 57 -19.538 18.804 -2.834 1291 H LEU 58 H LEU 58 -19.281 19.521 -0.103 1292 HA LEU 58 HA LEU 58 -21.700 20.218 1.314 1293 1HB LEU 58 2HB LEU 58 -19.432 18.332 1.645 1294 2HB LEU 58 1HB LEU 58 -20.292 18.814 3.087 1295 HG LEU 58 HG LEU 58 -21.103 16.692 2.108 1296 1HD1 LEU 58 1HD1 LEU 58 -23.272 17.086 2.691 1297 2HD1 LEU 58 2HD1 LEU 58 -23.347 18.613 1.812 1298 3HD1 LEU 58 3HD1 LEU 58 -22.512 18.529 3.363 1299 1HD2 LEU 58 1HD2 LEU 58 -20.836 17.930 -0.297 1300 2HD2 LEU 58 2HD2 LEU 58 -22.576 18.044 -0.037 1301 3HD2 LEU 58 3HD2 LEU 58 -21.783 16.470 -0.020 1302 H ASN 59 H ASN 59 -18.605 21.536 0.980 1303 HA ASN 59 HA ASN 59 -17.324 23.022 2.074 1304 1HB ASN 59 2HB ASN 59 -18.528 24.931 3.096 1305 2HB ASN 59 1HB ASN 59 -19.124 24.511 1.495 1306 1HD2 ASN 59 1HD2 ASN 59 -19.838 24.714 4.855 1307 2HD2 ASN 59 2HD2 ASN 59 -21.521 24.340 4.737 1308 H LYS 60 H LYS 60 -16.166 21.803 3.460 1309 HA LYS 60 HA LYS 60 -16.046 22.388 6.105 1310 1HB LYS 60 2HB LYS 60 -16.951 20.192 7.121 1311 2HB LYS 60 1HB LYS 60 -18.104 21.456 6.716 1312 1HG LYS 60 2HG LYS 60 -19.099 20.224 5.124 1313 2HG LYS 60 1HG LYS 60 -17.578 19.521 4.570 1314 1HD LYS 60 2HD LYS 60 -18.444 18.670 7.249 1315 2HD LYS 60 1HD LYS 60 -19.496 18.162 5.926 1316 1HE LYS 60 2HE LYS 60 -17.164 17.524 4.830 1317 2HE LYS 60 1HE LYS 60 -16.684 17.413 6.524 1318 1HZ LYS 60 1HZ LYS 60 -18.911 15.938 5.223 1319 2HZ LYS 60 2HZ LYS 60 -18.551 15.879 6.875 1320 3HZ LYS 60 3HZ LYS 60 -17.440 15.283 5.747 1321 HA PRO 61 HA PRO 61 -14.447 22.752 6.981 1322 1HB PRO 61 2HB PRO 61 -11.687 23.014 7.066 1323 2HB PRO 61 1HB PRO 61 -12.673 22.265 8.304 1324 1HG PRO 61 2HG PRO 61 -10.780 20.988 6.617 1325 2HG PRO 61 1HG PRO 61 -11.889 20.217 7.759 1326 1HD PRO 61 2HD PRO 61 -12.098 20.515 4.821 1327 2HD PRO 61 1HD PRO 61 -12.788 19.274 5.887 1328 H PHE 62 H PHE 62 -11.410 22.975 5.169 1329 HA PHE 62 HA PHE 62 -12.618 24.723 3.186 1330 1HB PHE 62 2HB PHE 62 -10.855 25.618 5.388 1331 2HB PHE 62 1HB PHE 62 -10.460 26.242 3.791 1332 HD1 PHE 62 1HD PHE 62 -12.045 27.106 6.648 1333 HD2 PHE 62 2HD PHE 62 -12.838 26.850 2.474 1334 HE1 PHE 62 1HE PHE 62 -13.808 28.806 6.883 1335 HE2 PHE 62 2HE PHE 62 -14.603 28.550 2.702 1336 HZ PHE 62 HZ PHE 62 -15.089 29.530 4.908 1337 H LYS 63 H LYS 63 -9.260 24.272 4.251 1338 HA LYS 63 HA LYS 63 -8.383 23.774 1.568 1339 1HB LYS 63 2HB LYS 63 -6.976 24.984 3.175 1340 2HB LYS 63 1HB LYS 63 -6.885 23.547 4.185 1341 1HG LYS 63 2HG LYS 63 -4.926 23.304 3.087 1342 2HG LYS 63 1HG LYS 63 -5.971 22.500 1.914 1343 1HD LYS 63 2HD LYS 63 -6.212 24.759 0.790 1344 2HD LYS 63 1HD LYS 63 -4.895 25.308 1.829 1345 1HE LYS 63 2HE LYS 63 -4.833 23.164 -0.280 1346 2HE LYS 63 1HE LYS 63 -3.906 24.663 -0.225 1347 1HZ LYS 63 1HZ LYS 63 -2.399 23.062 0.447 1348 2HZ LYS 63 2HZ LYS 63 -3.534 22.205 1.362 1349 3HZ LYS 63 3HZ LYS 63 -2.942 23.687 1.923 1350 H TYR 64 H TYR 64 -9.578 21.897 1.003 1351 HA TYR 64 HA TYR 64 -8.838 19.454 2.434 1352 1HB TYR 64 2HB TYR 64 -11.231 19.831 2.021 1353 2HB TYR 64 1HB TYR 64 -10.923 19.894 0.288 1354 HD1 TYR 64 1HD TYR 64 -11.056 17.955 -0.966 1355 HD2 TYR 64 2HD TYR 64 -10.528 17.652 3.234 1356 HE1 TYR 64 1HE TYR 64 -11.324 15.518 -1.115 1357 HE2 TYR 64 2HE TYR 64 -10.781 15.214 3.099 1358 HH TYR 64 HH TYR 64 -11.977 13.574 1.382 1359 H VAL 65 H VAL 65 -7.072 18.461 1.731 1360 HA VAL 65 HA VAL 65 -6.521 18.497 -1.150 1361 HB VAL 65 HB VAL 65 -4.684 19.478 0.020 1362 1HG1 VAL 65 1HG1 VAL 65 -3.968 18.925 2.015 1363 2HG1 VAL 65 2HG1 VAL 65 -3.637 17.274 1.500 1364 3HG1 VAL 65 3HG1 VAL 65 -5.233 17.717 2.070 1365 1HG2 VAL 65 1HG2 VAL 65 -2.844 17.937 -0.566 1366 2HG2 VAL 65 2HG2 VAL 65 -4.032 18.171 -1.848 1367 3HG2 VAL 65 3HG2 VAL 65 -4.057 16.698 -0.878 1368 H VAL 66 H VAL 66 -6.619 16.693 -2.258 1369 HA VAL 66 HA VAL 66 -6.887 14.149 -0.785 1370 HB VAL 66 HB VAL 66 -7.982 14.182 -3.518 1371 1HG1 VAL 66 1HG1 VAL 66 -8.171 12.532 -1.440 1372 2HG1 VAL 66 2HG1 VAL 66 -9.404 12.643 -2.695 1373 3HG1 VAL 66 3HG1 VAL 66 -9.622 13.496 -1.166 1374 1HG2 VAL 66 1HG2 VAL 66 -8.826 16.315 -3.200 1375 2HG2 VAL 66 2HG2 VAL 66 -9.062 16.077 -1.472 1376 3HG2 VAL 66 3HG2 VAL 66 -10.140 15.295 -2.627 1377 H THR 67 H THR 67 -5.416 12.581 -1.287 1378 HA THR 67 HA THR 67 -4.135 12.705 -3.910 1379 HB THR 67 HB THR 67 -2.541 13.849 -2.560 1380 HG1 THR 67 1HG THR 67 -1.144 12.670 -3.563 1381 1HG2 THR 67 1HG2 THR 67 -2.108 13.477 -0.424 1382 2HG2 THR 67 2HG2 THR 67 -1.887 11.747 -0.686 1383 3HG2 THR 67 3HG2 THR 67 -3.506 12.403 -0.436 1384 H CYS 68 H CYS 68 -3.375 10.773 -4.735 1385 HA CYS 68 HA CYS 68 -3.720 8.360 -3.143 1386 1HB CYS 68 2HB CYS 68 -5.913 8.679 -4.183 1387 2HB CYS 68 1HB CYS 68 -5.158 8.800 -5.767 1388 HG CYS 68 HG CYS 68 -5.572 6.186 -4.177 1389 H ILE 69 H ILE 69 -2.256 6.857 -3.598 1390 HA ILE 69 HA ILE 69 -0.522 7.276 -5.940 1391 HB ILE 69 HB ILE 69 0.079 5.989 -3.277 1392 1HG1 ILE 69 2HG1 ILE 69 1.724 8.233 -4.197 1393 2HG1 ILE 69 1HG1 ILE 69 0.037 8.650 -3.914 1394 1HG2 ILE 69 1HG2 ILE 69 1.924 6.355 -5.625 1395 2HG2 ILE 69 2HG2 ILE 69 1.265 4.821 -5.056 1396 3HG2 ILE 69 3HG2 ILE 69 2.375 5.735 -4.036 1397 1HD1 ILE 69 1HD1 ILE 69 0.735 7.134 -1.710 1398 2HD1 ILE 69 2HD1 ILE 69 0.580 8.889 -1.782 1399 3HD1 ILE 69 3HD1 ILE 69 2.154 8.132 -2.026 1400 H ILE 70 H ILE 70 -0.707 5.803 -7.507 1401 HA ILE 70 HA ILE 70 -2.175 3.352 -7.016 1402 HB ILE 70 HB ILE 70 -1.872 2.999 -9.491 1403 1HG1 ILE 70 2HG1 ILE 70 -1.179 5.840 -9.871 1404 2HG1 ILE 70 1HG1 ILE 70 0.135 4.832 -9.271 1405 1HG2 ILE 70 1HG2 ILE 70 -3.630 4.618 -8.089 1406 2HG2 ILE 70 2HG2 ILE 70 -3.837 4.013 -9.731 1407 3HG2 ILE 70 3HG2 ILE 70 -3.135 5.608 -9.463 1408 1HD1 ILE 70 1HD1 ILE 70 -1.476 4.025 -11.660 1409 2HD1 ILE 70 2HD1 ILE 70 0.137 3.497 -11.175 1410 3HD1 ILE 70 3HD1 ILE 70 -0.108 5.131 -11.794 1411 H MET 71 H MET 71 -1.371 1.357 -6.902 1412 HA MET 71 HA MET 71 1.515 0.996 -7.371 1413 1HB MET 71 2HB MET 71 -0.284 -0.217 -5.273 1414 2HB MET 71 1HB MET 71 1.306 -0.867 -5.650 1415 1HG MET 71 2HG MET 71 1.949 1.708 -5.249 1416 2HG MET 71 1HG MET 71 0.550 1.572 -4.185 1417 1HE MET 71 1HE MET 71 1.514 -1.991 -3.250 1418 2HE MET 71 2HE MET 71 0.233 -0.786 -3.115 1419 3HE MET 71 3HE MET 71 1.310 -1.085 -1.751 1420 H GLN 72 H GLN 72 1.644 0.036 -9.310 1421 HA GLN 72 HA GLN 72 -0.283 -1.650 -10.451 1422 1HB GLN 72 2HB GLN 72 1.424 -0.476 -11.767 1423 2HB GLN 72 1HB GLN 72 2.676 -1.476 -11.045 1424 1HG GLN 72 2HG GLN 72 1.722 -3.455 -12.078 1425 2HG GLN 72 1HG GLN 72 0.421 -2.484 -12.765 1426 1HE2 GLN 72 1HE2 GLN 72 1.321 -3.552 -14.735 1427 2HE2 GLN 72 2HE2 GLN 72 2.588 -2.730 -15.575 1428 H LYS 73 H LYS 73 -0.753 -3.730 -10.174 1429 HA LYS 73 HA LYS 73 -0.698 -5.872 -9.412 1430 1HB LYS 73 2HB LYS 73 1.550 -5.582 -10.843 1431 2HB LYS 73 1HB LYS 73 2.267 -5.922 -9.274 1432 1HG LYS 73 2HG LYS 73 1.990 -8.078 -9.685 1433 2HG LYS 73 1HG LYS 73 0.248 -7.824 -9.576 1434 1HD LYS 73 2HD LYS 73 1.421 -7.077 -12.159 1435 2HD LYS 73 1HD LYS 73 1.562 -8.791 -11.767 1436 1HE LYS 73 2HE LYS 73 -1.054 -7.397 -11.400 1437 2HE LYS 73 1HE LYS 73 -0.550 -7.892 -13.015 1438 1HZ LYS 73 1HZ LYS 73 -0.088 -10.122 -11.622 1439 2HZ LYS 73 2HZ LYS 73 -1.539 -9.805 -12.430 1440 3HZ LYS 73 3HZ LYS 73 -1.415 -9.507 -10.771 1441 H ASN 74 H ASN 74 0.589 -7.323 -7.667 1442 HA ASN 74 HA ASN 74 0.777 -5.664 -5.236 1443 1HB ASN 74 2HB ASN 74 -0.109 -7.583 -3.983 1444 2HB ASN 74 1HB ASN 74 -1.233 -7.065 -5.236 1445 1HD2 ASN 74 1HD2 ASN 74 -1.671 -8.402 -6.944 1446 2HD2 ASN 74 2HD2 ASN 74 -1.151 -10.048 -7.011 1447 H GLY 75 H GLY 75 2.942 -6.440 -7.052 1448 1HA GLY 75 2HA GLY 75 4.508 -8.151 -5.217 1449 2HA GLY 75 1HA GLY 75 4.749 -8.114 -6.958 1450 H ALA 76 H ALA 76 4.510 -5.219 -7.156 1451 HA ALA 76 HA ALA 76 7.220 -4.532 -6.780 1452 1HB ALA 76 1HB ALA 76 6.120 -2.127 -7.135 1453 2HB ALA 76 2HB ALA 76 4.776 -3.129 -7.684 1454 3HB ALA 76 3HB ALA 76 6.355 -3.271 -8.456 1455 H GLY 77 H GLY 77 8.279 -3.626 -5.121 1456 1HA GLY 77 2HA GLY 77 6.729 -3.017 -2.703 1457 2HA GLY 77 1HA GLY 77 8.450 -3.367 -2.760 1458 H LEU 78 H LEU 78 6.136 -0.955 -2.522 1459 HA LEU 78 HA LEU 78 8.205 1.096 -2.851 1460 1HB LEU 78 2HB LEU 78 6.902 1.163 -4.890 1461 2HB LEU 78 1HB LEU 78 5.407 1.222 -3.976 1462 HG LEU 78 HG LEU 78 7.328 3.402 -3.429 1463 1HD1 LEU 78 1HD1 LEU 78 7.689 3.858 -5.589 1464 2HD1 LEU 78 2HD1 LEU 78 6.023 4.435 -5.592 1465 3HD1 LEU 78 3HD1 LEU 78 6.391 2.797 -6.133 1466 1HD2 LEU 78 1HD2 LEU 78 4.391 2.969 -3.565 1467 2HD2 LEU 78 2HD2 LEU 78 5.007 4.602 -3.820 1468 3HD2 LEU 78 3HD2 LEU 78 5.366 3.750 -2.319 1469 H HIS 79 H HIS 79 8.195 2.657 -1.320 1470 HA HIS 79 HA HIS 79 5.889 2.846 0.481 1471 1HB HIS 79 2HB HIS 79 8.708 2.161 1.216 1472 2HB HIS 79 1HB HIS 79 7.733 3.100 2.341 1473 HD1 HIS 79 1HD HIS 79 7.288 -0.126 0.356 1474 HD2 HIS 79 2HD HIS 79 6.421 1.510 4.076 1475 HE1 HIS 79 1HE HIS 79 6.161 -1.963 1.651 1476 HE2 HIS 79 2HE HIS 79 5.569 -0.924 3.869 1477 H THR 80 H THR 80 5.354 4.878 0.992 1478 HA THR 80 HA THR 80 7.077 7.030 0.017 1479 HB THR 80 HB THR 80 4.208 7.098 0.978 1480 HG1 THR 80 1HG THR 80 4.428 5.980 -0.971 1481 1HG2 THR 80 1HG2 THR 80 4.403 9.248 -0.580 1482 2HG2 THR 80 2HG2 THR 80 6.043 9.220 0.066 1483 3HG2 THR 80 3HG2 THR 80 4.664 9.297 1.163 1484 H ALA 81 H ALA 81 7.556 8.876 1.315 1485 HA ALA 81 HA ALA 81 7.253 8.459 4.219 1486 1HB ALA 81 1HB ALA 81 9.500 7.766 3.712 1487 2HB ALA 81 2HB ALA 81 9.564 9.323 4.536 1488 3HB ALA 81 3HB ALA 81 9.793 9.240 2.790 1489 H ALA 82 H ALA 82 7.124 10.348 5.480 1490 HA ALA 82 HA ALA 82 7.337 12.904 4.183 1491 1HB ALA 82 1HB ALA 82 4.675 12.359 5.397 1492 2HB ALA 82 2HB ALA 82 5.001 11.968 3.708 1493 3HB ALA 82 3HB ALA 82 5.156 13.631 4.275 1494 H SER 83 H SER 83 7.128 14.707 5.597 1495 HA SER 83 HA SER 83 7.412 14.073 8.456 1496 1HB SER 83 2HB SER 83 9.640 14.510 7.665 1497 2HB SER 83 1HB SER 83 9.103 15.911 6.748 1498 HG SER 83 HG SER 83 9.512 15.630 9.502 1499 H CYS 84 H CYS 84 5.829 15.068 9.555 1500 HA CYS 84 HA CYS 84 4.734 17.565 8.438 1501 1HB CYS 84 2HB CYS 84 2.681 16.982 9.775 1502 2HB CYS 84 1HB CYS 84 3.045 15.888 8.446 1503 HG CYS 84 HG CYS 84 4.062 14.261 10.350 1504 H TRP 85 H TRP 85 4.954 19.371 9.528 1505 HA TRP 85 HA TRP 85 6.235 19.426 12.096 1506 1HB TRP 85 2HB TRP 85 6.201 21.134 9.993 1507 2HB TRP 85 1HB TRP 85 4.979 21.887 11.012 1508 HD1 TRP 85 HD TRP 85 8.598 20.552 11.502 1509 HE1 TRP 85 1HE TRP 85 9.833 22.196 13.043 1510 HE3 TRP 85 3HE TRP 85 4.792 23.843 12.405 1511 HZ2 TRP 85 2HZ TRP 85 9.276 24.575 14.458 1512 HZ3 TRP 85 3HZ TRP 85 5.226 25.776 13.862 1513 HH2 TRP 85 HH TRP 85 7.422 26.134 14.868 1514 H TRP 86 H TRP 86 4.844 21.687 13.229 1515 HA TRP 86 HA TRP 86 2.613 20.258 14.411 1516 1HB TRP 86 2HB TRP 86 4.114 22.767 15.075 1517 2HB TRP 86 1HB TRP 86 2.528 22.489 15.785 1518 HD1 TRP 86 HD TRP 86 4.694 19.423 15.308 1519 HE1 TRP 86 1HE TRP 86 5.529 18.611 17.603 1520 HE3 TRP 86 3HE TRP 86 3.217 23.398 18.164 1521 HZ2 TRP 86 2HZ TRP 86 5.558 19.533 20.271 1522 HZ3 TRP 86 3HZ TRP 86 3.685 23.355 20.580 1523 HH2 TRP 86 HH TRP 86 4.832 21.461 21.610 1524 H ASP 87 H ASP 87 0.493 20.736 14.161 1525 HA ASP 87 HA ASP 87 -0.629 23.136 13.326 1526 1HB ASP 87 2HB ASP 87 0.686 22.085 11.183 1527 2HB ASP 87 1HB ASP 87 -0.909 21.373 10.969 1528 H SER 88 H SER 88 -2.280 22.692 14.699 1529 HA SER 88 HA SER 88 -3.639 20.151 14.647 1530 1HB SER 88 2HB SER 88 -3.217 21.820 16.656 1531 2HB SER 88 1HB SER 88 -4.751 22.501 16.113 1532 HG SER 88 HG SER 88 -4.198 19.986 17.207 1533 H THR 89 H THR 89 -3.820 22.652 12.537 1534 HA THR 89 HA THR 89 -6.735 22.436 12.235 1535 HB THR 89 HB THR 89 -6.056 24.720 12.478 1536 HG1 THR 89 1HG THR 89 -7.557 24.900 11.018 1537 1HG2 THR 89 1HG2 THR 89 -3.686 24.460 11.767 1538 2HG2 THR 89 2HG2 THR 89 -4.507 25.863 11.088 1539 3HG2 THR 89 3HG2 THR 89 -4.248 24.431 10.097 1540 H THR 90 H THR 90 -3.764 22.522 10.248 1541 HA THR 90 HA THR 90 -5.172 21.332 8.020 1542 HB THR 90 HB THR 90 -3.224 21.793 6.740 1543 HG1 THR 90 1HG THR 90 -1.894 21.879 9.225 1544 1HG2 THR 90 1HG2 THR 90 -3.308 23.997 6.780 1545 2HG2 THR 90 2HG2 THR 90 -2.601 24.069 8.394 1546 3HG2 THR 90 3HG2 THR 90 -4.341 23.850 8.200 1547 H ASP 91 H ASP 91 -5.444 19.563 9.917 1548 HA ASP 91 HA ASP 91 -3.452 17.500 9.301 1549 1HB ASP 91 2HB ASP 91 -3.087 18.407 11.587 1550 2HB ASP 91 1HB ASP 91 -4.723 17.915 12.012 1551 H GLY 92 H GLY 92 -4.907 16.721 7.723 1552 1HA GLY 92 2HA GLY 92 -7.124 15.163 8.895 1553 2HA GLY 92 1HA GLY 92 -7.329 16.038 7.385 1554 H SER 93 H SER 93 -4.193 14.857 7.555 1555 HA SER 93 HA SER 93 -4.385 13.188 5.376 1556 1HB SER 93 2HB SER 93 -2.163 12.351 6.026 1557 2HB SER 93 1HB SER 93 -2.269 14.103 6.197 1558 HG SER 93 HG SER 93 -2.119 12.119 8.163 1559 H ARG 94 H ARG 94 -5.406 11.356 5.096 1560 HA ARG 94 HA ARG 94 -5.154 9.204 7.035 1561 1HB ARG 94 2HB ARG 94 -7.866 10.121 6.052 1562 2HB ARG 94 1HB ARG 94 -7.551 8.727 7.076 1563 1HG ARG 94 2HG ARG 94 -6.935 11.566 7.859 1564 2HG ARG 94 1HG ARG 94 -8.419 10.714 8.287 1565 1HD ARG 94 2HD ARG 94 -7.402 9.475 9.869 1566 2HD ARG 94 1HD ARG 94 -5.935 9.274 8.912 1567 HE ARG 94 HE ARG 94 -5.032 11.109 9.953 1568 1HH1 ARG 94 1HH1 ARG 94 -8.457 10.976 10.661 1569 2HH1 ARG 94 2HH1 ARG 94 -8.378 12.223 11.861 1570 1HH2 ARG 94 1HH2 ARG 94 -4.938 12.743 11.530 1571 2HH2 ARG 94 2HH2 ARG 94 -6.385 13.224 12.353 1572 H THR 95 H THR 95 -4.444 7.525 5.843 1573 HA THR 95 HA THR 95 -5.034 7.516 3.012 1574 HB THR 95 HB THR 95 -2.711 7.147 4.136 1575 HG1 THR 95 1HG THR 95 -3.760 5.838 1.879 1576 1HG2 THR 95 1HG2 THR 95 -3.728 4.323 4.012 1577 2HG2 THR 95 2HG2 THR 95 -3.244 5.198 5.466 1578 3HG2 THR 95 3HG2 THR 95 -2.048 4.813 4.229 1579 H VAL 96 H VAL 96 -5.810 5.781 1.825 1580 HA VAL 96 HA VAL 96 -7.196 3.661 3.315 1581 HB VAL 96 HB VAL 96 -8.491 5.248 1.087 1582 1HG1 VAL 96 1HG1 VAL 96 -10.204 3.797 1.120 1583 2HG1 VAL 96 2HG1 VAL 96 -10.128 3.586 2.869 1584 3HG1 VAL 96 3HG1 VAL 96 -9.021 2.696 1.825 1585 1HG2 VAL 96 1HG2 VAL 96 -9.903 6.279 2.720 1586 2HG2 VAL 96 2HG2 VAL 96 -8.226 6.552 3.192 1587 3HG2 VAL 96 3HG2 VAL 96 -9.186 5.323 4.017 1588 H ARG 97 H ARG 97 -6.366 1.803 2.511 1589 HA ARG 97 HA ARG 97 -5.241 1.749 -0.149 1590 1HB ARG 97 2HB ARG 97 -4.182 0.572 1.772 1591 2HB ARG 97 1HB ARG 97 -5.562 -0.515 1.828 1592 1HG ARG 97 2HG ARG 97 -3.946 -1.705 0.654 1593 2HG ARG 97 1HG ARG 97 -5.000 -1.060 -0.606 1594 1HD ARG 97 2HD ARG 97 -2.733 -0.743 -1.300 1595 2HD ARG 97 1HD ARG 97 -3.403 0.833 -0.878 1596 HE ARG 97 HE ARG 97 -2.168 -0.124 1.401 1597 1HH1 ARG 97 1HH1 ARG 97 -1.199 0.714 -1.855 1598 2HH1 ARG 97 2HH1 ARG 97 0.404 1.169 -1.388 1599 1HH2 ARG 97 1HH2 ARG 97 -0.061 0.477 2.005 1600 2HH2 ARG 97 2HH2 ARG 97 1.051 1.034 0.799 1601 H TRP 98 H TRP 98 -6.587 1.643 -1.807 1602 HA TRP 98 HA TRP 98 -8.923 -0.151 -1.661 1603 1HB TRP 98 2HB TRP 98 -8.632 2.538 -2.494 1604 2HB TRP 98 1HB TRP 98 -8.912 1.608 -3.958 1605 HD1 TRP 98 HD TRP 98 -11.319 2.338 -4.447 1606 HE1 TRP 98 1HE TRP 98 -13.589 2.083 -3.270 1607 HE3 TRP 98 3HE TRP 98 -9.667 0.620 0.057 1608 HZ2 TRP 98 2HZ TRP 98 -14.544 1.244 -0.745 1609 HZ3 TRP 98 3HZ TRP 98 -11.318 0.114 1.805 1610 HH2 TRP 98 HH TRP 98 -13.706 0.422 1.412 1611 H GLU 99 H GLU 99 -8.915 -1.937 -2.909 1612 HA GLU 99 HA GLU 99 -7.090 -2.037 -5.215 1613 1HB GLU 99 2HB GLU 99 -7.522 -4.279 -3.238 1614 2HB GLU 99 1HB GLU 99 -6.497 -4.341 -4.663 1615 1HG GLU 99 2HG GLU 99 -4.879 -3.851 -3.199 1616 2HG GLU 99 1HG GLU 99 -5.455 -2.200 -3.416 1617 H ASN 100 H ASN 100 -7.619 -3.925 -6.684 1618 HA ASN 100 HA ASN 100 -10.541 -4.296 -6.798 1619 1HB ASN 100 2HB ASN 100 -10.132 -4.532 -9.323 1620 2HB ASN 100 1HB ASN 100 -10.042 -2.916 -8.633 1621 1HD2 ASN 100 1HD2 ASN 100 -8.654 -4.833 -10.806 1622 2HD2 ASN 100 2HD2 ASN 100 -7.031 -4.241 -10.769 1623 H LYS 101 H LYS 101 -7.489 -5.759 -7.956 1624 HA LYS 101 HA LYS 101 -7.998 -8.287 -6.869 1625 1HB LYS 101 2HB LYS 101 -8.437 -9.509 -9.052 1626 2HB LYS 101 1HB LYS 101 -9.787 -8.603 -8.381 1627 1HG LYS 101 2HG LYS 101 -9.968 -7.891 -10.510 1628 2HG LYS 101 1HG LYS 101 -8.761 -6.720 -9.977 1629 1HD LYS 101 2HD LYS 101 -7.588 -7.449 -11.749 1630 2HD LYS 101 1HD LYS 101 -7.189 -8.817 -10.709 1631 1HE LYS 101 2HE LYS 101 -8.319 -10.231 -12.004 1632 2HE LYS 101 1HE LYS 101 -9.744 -9.195 -12.011 1633 1HZ LYS 101 1HZ LYS 101 -7.405 -8.573 -13.700 1634 2HZ LYS 101 2HZ LYS 101 -9.007 -8.063 -13.882 1635 3HZ LYS 101 3HZ LYS 101 -8.587 -9.666 -14.220 1636 H SER 102 H SER 102 -6.632 -6.716 -9.751 1637 HA SER 102 HA SER 102 -4.086 -8.080 -9.172 1638 1HB SER 102 2HB SER 102 -5.004 -9.114 -11.150 1639 2HB SER 102 1HB SER 102 -5.335 -7.541 -11.875 1640 HG SER 102 HG SER 102 -3.431 -8.361 -12.731 1641 H MET 103 H MET 103 -5.006 -5.476 -8.311 1642 HA MET 103 HA MET 103 -2.707 -3.950 -8.992 1643 1HB MET 103 2HB MET 103 -4.433 -3.675 -10.954 1644 2HB MET 103 1HB MET 103 -5.239 -2.589 -9.830 1645 1HG MET 103 2HG MET 103 -3.923 -1.016 -10.691 1646 2HG MET 103 1HG MET 103 -2.660 -1.723 -9.686 1647 1HE MET 103 1HE MET 103 -1.683 -0.076 -11.489 1648 2HE MET 103 2HE MET 103 -2.335 -0.208 -13.122 1649 3HE MET 103 3HE MET 103 -0.712 -0.801 -12.770 1650 H TYR 104 H TYR 104 -2.254 -2.586 -7.358 1651 HA TYR 104 HA TYR 104 -4.341 -2.213 -5.320 1652 1HB TYR 104 2HB TYR 104 -1.344 -2.344 -5.200 1653 2HB TYR 104 1HB TYR 104 -2.245 -1.541 -3.919 1654 HD1 TYR 104 1HD TYR 104 -3.134 -4.621 -5.823 1655 HD2 TYR 104 2HD TYR 104 -1.998 -2.949 -2.079 1656 HE1 TYR 104 1HE TYR 104 -3.527 -6.792 -4.741 1657 HE2 TYR 104 2HE TYR 104 -2.387 -5.117 -0.987 1658 HH TYR 104 HH TYR 104 -2.363 -7.755 -2.071 1659 H CYS 105 H CYS 105 -4.781 -0.183 -4.470 1660 HA CYS 105 HA CYS 105 -3.384 2.119 -5.594 1661 1HB CYS 105 2HB CYS 105 -6.387 1.796 -5.783 1662 2HB CYS 105 1HB CYS 105 -5.465 3.213 -6.274 1663 HG CYS 105 HG CYS 105 -5.131 2.170 -8.452 1664 H ILE 106 H ILE 106 -2.751 3.174 -3.829 1665 HA ILE 106 HA ILE 106 -4.425 3.146 -1.442 1666 HB ILE 106 HB ILE 106 -2.142 2.709 -0.969 1667 1HG1 ILE 106 2HG1 ILE 106 -2.086 5.595 -0.246 1668 2HG1 ILE 106 1HG1 ILE 106 -3.436 4.637 0.352 1669 1HG2 ILE 106 1HG2 ILE 106 -1.571 5.042 -2.743 1670 2HG2 ILE 106 2HG2 ILE 106 -0.950 3.396 -2.830 1671 3HG2 ILE 106 3HG2 ILE 106 -0.388 4.486 -1.563 1672 1HD1 ILE 106 1HD1 ILE 106 -1.239 3.070 0.902 1673 2HD1 ILE 106 2HD1 ILE 106 -2.113 4.090 2.046 1674 3HD1 ILE 106 3HD1 ILE 106 -0.681 4.711 1.225 1675 H CYS 107 H CYS 107 -5.956 4.616 -1.302 1676 HA CYS 107 HA CYS 107 -5.493 7.289 -2.434 1677 1HB CYS 107 2HB CYS 107 -8.006 7.496 -2.282 1678 2HB CYS 107 1HB CYS 107 -7.423 6.301 -3.434 1679 HG CYS 107 HG CYS 107 -8.978 5.698 -0.850 1680 H THR 108 H THR 108 -4.856 8.707 -0.957 1681 HA THR 108 HA THR 108 -5.956 8.462 1.755 1682 HB THR 108 HB THR 108 -3.442 8.246 1.435 1683 HG1 THR 108 1HG THR 108 -3.153 9.117 3.369 1684 1HG2 THR 108 1HG2 THR 108 -3.493 11.238 1.190 1685 2HG2 THR 108 2HG2 THR 108 -3.215 10.156 -0.175 1686 3HG2 THR 108 3HG2 THR 108 -2.093 10.166 1.186 1687 H VAL 109 H VAL 109 -7.036 10.071 2.663 1688 HA VAL 109 HA VAL 109 -7.509 12.463 1.033 1689 HB VAL 109 HB VAL 109 -9.184 10.924 2.984 1690 1HG1 VAL 109 1HG1 VAL 109 -9.331 13.889 2.635 1691 2HG1 VAL 109 2HG1 VAL 109 -9.539 12.920 4.093 1692 3HG1 VAL 109 3HG1 VAL 109 -10.806 12.957 2.871 1693 1HG2 VAL 109 1HG2 VAL 109 -10.920 11.651 1.231 1694 2HG2 VAL 109 2HG2 VAL 109 -9.715 10.440 0.792 1695 3HG2 VAL 109 3HG2 VAL 109 -9.515 12.113 0.269 1696 H PHE 110 H PHE 110 -6.640 14.333 1.674 1697 HA PHE 110 HA PHE 110 -5.753 14.539 4.467 1698 1HB PHE 110 2HB PHE 110 -4.640 15.617 1.908 1699 2HB PHE 110 1HB PHE 110 -4.327 16.458 3.422 1700 HD1 PHE 110 1HD PHE 110 -4.477 12.812 2.661 1701 HD2 PHE 110 2HD PHE 110 -2.105 16.120 3.902 1702 HE1 PHE 110 1HE PHE 110 -2.593 11.292 3.102 1703 HE2 PHE 110 2HE PHE 110 -0.216 14.605 4.343 1704 HZ PHE 110 HZ PHE 110 -0.459 12.188 3.942 1705 H GLY 111 H GLY 111 -7.434 15.463 5.472 1706 1HA GLY 111 2HA GLY 111 -8.820 17.695 4.184 1707 2HA GLY 111 1HA GLY 111 -9.385 16.817 5.598 1708 H LEU 112 H LEU 112 -7.231 19.339 4.412 1709 HA LEU 112 HA LEU 112 -6.405 19.963 7.141 1710 1HB LEU 112 2HB LEU 112 -5.703 21.131 4.453 1711 2HB LEU 112 1HB LEU 112 -5.118 21.802 5.962 1712 HG LEU 112 HG LEU 112 -3.707 19.983 6.378 1713 1HD1 LEU 112 1HD1 LEU 112 -3.809 17.845 5.155 1714 2HD1 LEU 112 2HD1 LEU 112 -5.311 18.388 4.408 1715 3HD1 LEU 112 3HD1 LEU 112 -5.228 18.158 6.155 1716 1HD2 LEU 112 1HD2 LEU 112 -2.687 19.409 4.090 1717 2HD2 LEU 112 2HD2 LEU 112 -2.644 21.077 4.663 1718 3HD2 LEU 112 3HD2 LEU 112 -3.847 20.584 3.470 1719 H ALA 113 H ALA 113 -7.640 21.090 8.412 1720 HA ALA 113 HA ALA 113 -9.976 22.352 7.736 1721 1HB ALA 113 1HB ALA 113 -8.198 22.911 10.090 1722 2HB ALA 113 2HB ALA 113 -9.522 21.753 10.003 1723 3HB ALA 113 3HB ALA 113 -9.857 23.482 9.930 1724 H ILE 114 H ILE 114 -7.488 24.435 9.076 1725 HA ILE 114 HA ILE 114 -6.825 26.554 8.563 1726 HB ILE 114 HB ILE 114 -7.507 25.807 5.714 1727 1HG1 ILE 114 2HG1 ILE 114 -4.909 25.494 7.232 1728 2HG1 ILE 114 1HG1 ILE 114 -5.973 24.179 6.742 1729 1HG2 ILE 114 1HG2 ILE 114 -6.530 27.713 5.036 1730 2HG2 ILE 114 2HG2 ILE 114 -5.266 27.621 6.263 1731 3HG2 ILE 114 3HG2 ILE 114 -6.853 28.266 6.679 1732 1HD1 ILE 114 1HD1 ILE 114 -5.485 25.517 4.387 1733 2HD1 ILE 114 2HD1 ILE 114 -4.704 24.032 4.929 1734 3HD1 ILE 114 3HD1 ILE 114 -3.941 25.591 5.238
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