NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27447 | 2rmo | 11026 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.512 0.521 -1.988 3 HB2 MET 1 1HB MET 1 4.024 0.175 -0.341 4 HB3 MET 1 2HB MET 1 3.941 0.767 -1.995 5 HG2 MET 1 1HG MET 1 2.385 2.585 -0.975 6 HG3 MET 1 2HG MET 1 3.151 2.117 0.541 7 HE1 MET 1 3HE MET 1 2.829 4.327 -1.889 8 HE2 MET 1 1HE MET 1 4.024 5.455 -1.247 9 HE3 MET 1 2HE MET 1 4.320 4.637 -2.781 10 H ASP 2 H ASP 2 1.108 -1.156 -3.270 11 HA ASP 2 HA ASP 2 2.421 -3.725 -2.686 12 HB2 ASP 2 1HB ASP 2 -0.177 -3.060 -4.056 13 HB3 ASP 2 2HB ASP 2 0.600 -4.627 -4.267 14 H GLU 3 H GLU 3 3.875 -1.709 -3.963 15 HA GLU 3 HA GLU 3 4.180 -2.877 -6.647 16 HB2 GLU 3 1HB GLU 3 4.448 0.042 -5.908 17 HB3 GLU 3 2HB GLU 3 4.845 -0.640 -7.479 18 HG2 GLU 3 1HG GLU 3 2.112 -1.016 -6.347 19 HG3 GLU 3 2HG GLU 3 2.554 0.515 -7.102 20 H THR 4 H THR 4 5.529 -3.509 -4.149 21 HA THR 4 HA THR 4 8.219 -3.463 -5.105 22 HB THR 4 HB THR 4 8.756 -2.374 -2.628 23 HG1 THR 4 HG1 THR 4 7.482 -0.268 -3.052 24 HG21 THR 4 3HG2 THR 4 8.630 -0.544 -4.970 25 HG22 THR 4 1HG2 THR 4 9.635 -1.986 -5.100 26 HG23 THR 4 2HG2 THR 4 9.936 -0.814 -3.817 27 H GLY 5 H GLY 5 8.221 -5.666 -4.834 28 HA2 GLY 5 1HA GLY 5 9.057 -6.753 -2.431 29 HA3 GLY 5 2HA GLY 5 7.313 -6.965 -2.469 30 H LYS 6 H LYS 6 9.432 -7.053 -5.277 31 HA LYS 6 HA LYS 6 9.097 -9.963 -5.436 32 HB2 LYS 6 1HB LYS 6 8.912 -8.643 -8.037 33 HB3 LYS 6 2HB LYS 6 7.930 -9.935 -7.359 34 HG2 LYS 6 1HG LYS 6 6.379 -8.267 -7.604 35 HG3 LYS 6 2HG LYS 6 6.891 -8.014 -5.934 36 HD2 LYS 6 1HD LYS 6 8.576 -6.352 -6.863 37 HD3 LYS 6 2HD LYS 6 7.690 -6.464 -8.386 38 HE2 LYS 6 1HE LYS 6 6.483 -5.688 -5.733 39 HE3 LYS 6 2HE LYS 6 6.985 -4.550 -6.983 40 HZ1 LYS 6 3HZ LYS 6 5.408 -5.801 -8.488 41 HZ2 LYS 6 1HZ LYS 6 4.697 -4.849 -7.283 42 HZ3 LYS 6 2HZ LYS 6 4.787 -6.527 -7.092 43 H GLU 7 H GLU 7 10.480 -7.321 -7.400 44 HA GLU 7 HA GLU 7 13.156 -8.316 -6.970 45 HB2 GLU 7 1HB GLU 7 11.751 -8.604 -9.610 46 HB3 GLU 7 2HB GLU 7 13.497 -8.412 -9.537 47 HG2 GLU 7 1HG GLU 7 11.857 -10.625 -8.333 48 HG3 GLU 7 2HG GLU 7 12.988 -10.739 -9.680 49 H LEU 8 H LEU 8 14.779 -6.860 -7.657 50 HA LEU 8 HA LEU 8 13.929 -4.326 -8.820 51 HB2 LEU 8 1HB LEU 8 15.040 -4.672 -6.063 52 HB3 LEU 8 2HB LEU 8 15.342 -3.190 -6.966 53 HG LEU 8 HG LEU 8 12.521 -4.065 -6.727 54 HD11 LEU 8 1HD1 LEU 8 13.995 -2.803 -4.422 55 HD12 LEU 8 2HD1 LEU 8 13.448 -4.479 -4.475 56 HD13 LEU 8 3HD1 LEU 8 12.271 -3.165 -4.507 57 HD21 LEU 8 3HD2 LEU 8 12.132 -1.940 -7.279 58 HD22 LEU 8 1HD2 LEU 8 13.855 -1.829 -7.637 59 HD23 LEU 8 2HD2 LEU 8 13.249 -1.332 -6.057 60 H VAL 9 H VAL 9 15.662 -3.058 -9.648 61 HA VAL 9 HA VAL 9 18.230 -4.490 -9.854 62 HB VAL 9 HB VAL 9 18.456 -3.810 -12.162 63 HG11 VAL 9 1HG1 VAL 9 16.736 -5.742 -11.246 64 HG12 VAL 9 2HG1 VAL 9 15.749 -4.864 -12.416 65 HG13 VAL 9 3HG1 VAL 9 17.290 -5.564 -12.911 66 HG21 VAL 9 3HG2 VAL 9 17.411 -1.965 -12.842 67 HG22 VAL 9 1HG2 VAL 9 15.933 -2.923 -12.940 68 HG23 VAL 9 2HG2 VAL 9 16.301 -2.015 -11.473 69 H LEU 10 H LEU 10 20.094 -3.215 -10.021 70 HA LEU 10 HA LEU 10 19.773 -0.516 -8.950 71 HB2 LEU 10 1HB LEU 10 21.394 -2.439 -8.128 72 HB3 LEU 10 2HB LEU 10 22.441 -1.760 -9.372 73 HG LEU 10 HG LEU 10 21.256 0.023 -7.283 74 HD11 LEU 10 1HD1 LEU 10 23.652 -0.458 -6.218 75 HD12 LEU 10 2HD1 LEU 10 23.328 -2.052 -6.898 76 HD13 LEU 10 3HD1 LEU 10 22.201 -1.341 -5.743 77 HD21 LEU 10 3HD2 LEU 10 22.465 1.498 -8.420 78 HD22 LEU 10 1HD2 LEU 10 23.162 0.226 -9.424 79 HD23 LEU 10 2HD2 LEU 10 23.917 0.649 -7.887 80 H ALA 11 H ALA 11 20.411 1.309 -9.988 81 HA ALA 11 HA ALA 11 21.016 1.045 -12.831 82 HB1 ALA 11 1HB ALA 11 19.920 3.206 -11.104 83 HB2 ALA 11 2HB ALA 11 20.733 3.654 -12.604 84 HB3 ALA 11 3HB ALA 11 19.333 2.582 -12.647 85 H LEU 12 H LEU 12 23.070 1.012 -13.444 86 HA LEU 12 HA LEU 12 25.159 2.057 -11.744 87 HB2 LEU 12 1HB LEU 12 25.489 0.977 -14.528 88 HB3 LEU 12 2HB LEU 12 26.686 1.046 -13.236 89 HG LEU 12 HG LEU 12 24.230 -0.691 -13.103 90 HD11 LEU 12 1HD1 LEU 12 26.404 -0.996 -14.854 91 HD12 LEU 12 2HD1 LEU 12 25.148 -2.172 -14.471 92 HD13 LEU 12 3HD1 LEU 12 26.649 -2.154 -13.546 93 HD21 LEU 12 3HD2 LEU 12 25.798 -1.923 -11.500 94 HD22 LEU 12 1HD2 LEU 12 25.095 -0.401 -10.951 95 HD23 LEU 12 2HD2 LEU 12 26.765 -0.447 -11.516 96 H TYR 13 H TYR 13 23.923 2.727 -15.010 97 HA TYR 13 HA TYR 13 25.228 5.366 -14.859 98 HB2 TYR 13 1HB TYR 13 24.605 3.770 -17.352 99 HB3 TYR 13 2HB TYR 13 25.411 5.333 -17.293 100 HD1 TYR 13 HD1 TYR 13 27.704 5.511 -16.383 101 HD2 TYR 13 HD2 TYR 13 25.794 1.744 -16.898 102 HE1 TYR 13 HE1 TYR 13 29.883 4.387 -16.194 103 HE2 TYR 13 HE2 TYR 13 27.968 0.610 -16.709 104 HH TYR 13 HH TYR 13 30.292 1.267 -15.535 105 H ASP 14 H ASP 14 24.033 7.155 -15.302 106 HA ASP 14 HA ASP 14 21.262 7.086 -14.960 107 HB2 ASP 14 1HB ASP 14 21.279 9.444 -15.499 108 HB3 ASP 14 2HB ASP 14 22.709 9.069 -14.540 109 H TYR 15 H TYR 15 19.602 7.854 -16.488 110 HA TYR 15 HA TYR 15 20.181 7.237 -19.294 111 HB2 TYR 15 1HB TYR 15 19.102 5.295 -17.859 112 HB3 TYR 15 2HB TYR 15 17.626 6.214 -18.131 113 HD1 TYR 15 HD1 TYR 15 20.570 5.271 -20.243 114 HD2 TYR 15 HD2 TYR 15 16.338 5.319 -19.813 115 HE1 TYR 15 HE1 TYR 15 20.340 4.231 -22.460 116 HE2 TYR 15 HE2 TYR 15 16.095 4.278 -22.028 117 HH TYR 15 HH TYR 15 17.147 3.627 -23.882 118 H GLN 16 H GLN 16 18.070 7.710 -20.623 119 HA GLN 16 HA GLN 16 16.484 9.885 -19.560 120 HB2 GLN 16 1HB GLN 16 18.800 10.344 -21.267 121 HB3 GLN 16 2HB GLN 16 17.321 10.997 -21.959 122 HG2 GLN 16 1HG GLN 16 17.612 11.608 -19.131 123 HG3 GLN 16 2HG GLN 16 18.934 12.234 -20.115 124 HE21 GLN 16 2HE2 GLN 16 16.080 13.038 -18.830 125 HE22 GLN 16 1HE2 GLN 16 15.543 14.221 -19.969 126 H GLU 17 H GLU 17 14.636 8.754 -19.989 127 HA GLU 17 HA GLU 17 14.042 7.196 -22.184 128 HB2 GLU 17 1HB GLU 17 11.675 7.607 -21.668 129 HB3 GLU 17 2HB GLU 17 12.611 7.289 -20.214 130 HG2 GLU 17 1HG GLU 17 12.755 9.790 -19.911 131 HG3 GLU 17 2HG GLU 17 11.551 9.922 -21.192 132 H LYS 18 H LYS 18 13.087 7.536 -24.177 133 HA LYS 18 HA LYS 18 13.068 10.332 -25.112 134 HB2 LYS 18 1HB LYS 18 13.618 9.398 -27.366 135 HB3 LYS 18 2HB LYS 18 14.887 9.179 -26.168 136 HG2 LYS 18 1HG LYS 18 12.909 6.993 -26.563 137 HG3 LYS 18 2HG LYS 18 14.174 7.230 -27.771 138 HD2 LYS 18 1HD LYS 18 15.315 7.363 -25.146 139 HD3 LYS 18 2HD LYS 18 14.363 5.884 -25.302 140 HE2 LYS 18 1HE LYS 18 15.626 5.142 -27.142 141 HE3 LYS 18 2HE LYS 18 16.339 6.734 -27.400 142 HZ1 LYS 18 3HZ LYS 18 16.911 5.740 -24.793 143 HZ2 LYS 18 1HZ LYS 18 17.976 6.265 -25.998 144 HZ3 LYS 18 2HZ LYS 18 17.439 4.661 -25.984 145 H SER 19 H SER 19 11.405 7.287 -24.991 146 HA SER 19 HA SER 19 9.174 8.460 -26.518 147 HB2 SER 19 1HB SER 19 8.822 6.481 -27.562 148 HB3 SER 19 2HB SER 19 10.482 6.126 -27.081 149 HG SER 19 HG SER 19 9.590 5.169 -25.164 150 HA PRO 20 HA PRO 20 6.528 8.223 -23.028 151 HB2 PRO 20 1HB PRO 20 4.182 7.407 -24.124 152 HB3 PRO 20 2HB PRO 20 4.844 9.028 -24.368 153 HG2 PRO 20 1HG PRO 20 4.961 6.642 -26.173 154 HG3 PRO 20 2HG PRO 20 4.636 8.338 -26.579 155 HD2 PRO 20 1HD PRO 20 7.058 7.187 -26.958 156 HD3 PRO 20 2HD PRO 20 6.870 8.904 -26.548 157 H ARG 21 H ARG 21 7.121 5.392 -24.899 158 HA ARG 21 HA ARG 21 5.868 3.667 -22.887 159 HB2 ARG 21 1HB ARG 21 6.234 1.846 -24.505 160 HB3 ARG 21 2HB ARG 21 5.297 3.164 -25.197 161 HG2 ARG 21 1HG ARG 21 7.200 3.958 -26.416 162 HG3 ARG 21 2HG ARG 21 8.255 2.796 -25.609 163 HD2 ARG 21 1HD ARG 21 7.822 1.835 -27.697 164 HD3 ARG 21 2HD ARG 21 6.729 0.999 -26.594 165 HE ARG 21 HE ARG 21 5.358 3.177 -27.663 166 HH11 ARG 21 1HH1 ARG 21 6.761 0.178 -28.736 167 HH12 ARG 21 2HH1 ARG 21 5.645 -0.027 -30.045 168 HH21 ARG 21 1HH2 ARG 21 3.883 2.919 -29.384 169 HH22 ARG 21 2HH2 ARG 21 4.009 1.534 -30.413 170 H GLU 22 H GLU 22 8.391 5.188 -22.501 171 HA GLU 22 HA GLU 22 10.052 2.904 -21.710 172 HB2 GLU 22 1HB GLU 22 10.866 4.041 -23.858 173 HB3 GLU 22 2HB GLU 22 11.271 5.415 -22.840 174 HG2 GLU 22 1HG GLU 22 13.079 4.412 -21.979 175 HG3 GLU 22 2HG GLU 22 12.290 2.839 -21.884 176 H VAL 23 H VAL 23 11.725 3.536 -20.085 177 HA VAL 23 HA VAL 23 10.792 5.771 -18.406 178 HB VAL 23 HB VAL 23 11.549 4.364 -16.433 179 HG11 VAL 23 1HG1 VAL 23 9.235 4.704 -16.695 180 HG12 VAL 23 2HG1 VAL 23 9.156 3.640 -18.102 181 HG13 VAL 23 3HG1 VAL 23 9.428 2.962 -16.496 182 HG21 VAL 23 3HG2 VAL 23 11.648 1.968 -16.711 183 HG22 VAL 23 1HG2 VAL 23 11.312 2.121 -18.435 184 HG23 VAL 23 2HG2 VAL 23 12.832 2.726 -17.776 185 H THR 24 H THR 24 12.587 6.017 -16.538 186 HA THR 24 HA THR 24 15.262 5.884 -17.721 187 HB THR 24 HB THR 24 14.181 8.147 -18.199 188 HG1 THR 24 HG1 THR 24 16.496 8.448 -16.612 189 HG21 THR 24 3HG2 THR 24 13.426 8.091 -15.605 190 HG22 THR 24 1HG2 THR 24 13.612 9.575 -16.538 191 HG23 THR 24 2HG2 THR 24 14.914 9.029 -15.481 192 H MET 25 H MET 25 16.949 6.603 -16.077 193 HA MET 25 HA MET 25 16.172 6.305 -13.301 194 HB2 MET 25 1HB MET 25 17.677 4.419 -12.877 195 HB3 MET 25 2HB MET 25 16.412 3.977 -14.015 196 HG2 MET 25 1HG MET 25 18.673 4.953 -15.456 197 HG3 MET 25 2HG MET 25 19.193 3.716 -14.314 198 HE1 MET 25 3HE MET 25 19.318 1.748 -17.393 199 HE2 MET 25 1HE MET 25 18.719 3.247 -18.104 200 HE3 MET 25 2HE MET 25 19.917 3.302 -16.811 201 H LYS 26 H LYS 26 18.150 6.461 -11.853 202 HA LYS 26 HA LYS 26 20.187 8.186 -13.101 203 HB2 LYS 26 1HB LYS 26 18.623 8.561 -10.572 204 HB3 LYS 26 2HB LYS 26 20.238 9.244 -10.709 205 HG2 LYS 26 1HG LYS 26 19.239 10.175 -12.982 206 HG3 LYS 26 2HG LYS 26 17.728 10.005 -12.086 207 HD2 LYS 26 1HD LYS 26 18.367 12.162 -11.551 208 HD3 LYS 26 2HD LYS 26 19.019 11.240 -10.195 209 HE2 LYS 26 1HE LYS 26 21.206 11.171 -11.338 210 HE3 LYS 26 2HE LYS 26 20.538 12.163 -12.633 211 HZ1 LYS 26 3HZ LYS 26 20.710 12.984 -9.784 212 HZ2 LYS 26 1HZ LYS 26 20.166 13.939 -11.071 213 HZ3 LYS 26 2HZ LYS 26 21.788 13.464 -10.997 214 H LYS 27 H LYS 27 22.262 8.221 -12.021 215 HA LYS 27 HA LYS 27 23.328 5.726 -11.506 216 HB2 LYS 27 1HB LYS 27 25.214 7.034 -10.380 217 HB3 LYS 27 2HB LYS 27 24.847 7.438 -12.052 218 HG2 LYS 27 1HG LYS 27 23.328 9.041 -10.169 219 HG3 LYS 27 2HG LYS 27 25.072 9.205 -9.952 220 HD2 LYS 27 1HD LYS 27 24.896 9.346 -12.644 221 HD3 LYS 27 2HD LYS 27 23.346 10.055 -12.187 222 HE2 LYS 27 1HE LYS 27 24.559 11.606 -10.679 223 HE3 LYS 27 2HE LYS 27 26.080 10.944 -11.275 224 HZ1 LYS 27 3HZ LYS 27 25.244 13.064 -12.347 225 HZ2 LYS 27 1HZ LYS 27 24.066 12.111 -13.100 226 HZ3 LYS 27 2HZ LYS 27 25.706 11.819 -13.395 227 H GLY 28 H GLY 28 22.853 4.349 -9.928 228 HA2 GLY 28 1HA GLY 28 22.917 3.615 -7.696 229 HA3 GLY 28 2HA GLY 28 22.888 5.291 -7.167 230 H ASP 29 H ASP 29 20.589 4.419 -9.554 231 HA ASP 29 HA ASP 29 18.448 4.756 -7.605 232 HB2 ASP 29 1HB ASP 29 18.534 5.982 -9.839 233 HB3 ASP 29 2HB ASP 29 18.140 4.438 -10.589 234 H ILE 30 H ILE 30 16.538 3.339 -7.716 235 HA ILE 30 HA ILE 30 17.238 0.577 -8.465 236 HB ILE 30 HB ILE 30 15.649 1.356 -6.020 237 HG12 ILE 30 1HG1 ILE 30 18.476 0.291 -6.159 238 HG13 ILE 30 2HG1 ILE 30 18.067 1.980 -5.881 239 HG21 ILE 30 1HG2 ILE 30 15.161 -0.805 -5.760 240 HG22 ILE 30 2HG2 ILE 30 15.673 -1.009 -7.434 241 HG23 ILE 30 3HG2 ILE 30 16.813 -1.304 -6.122 242 HD11 ILE 30 3HD1 ILE 30 18.080 1.511 -3.720 243 HD12 ILE 30 1HD1 ILE 30 16.597 0.594 -3.985 244 HD13 ILE 30 2HD1 ILE 30 18.160 -0.223 -4.028 245 H LEU 31 H LEU 31 15.797 -0.422 -9.715 246 HA LEU 31 HA LEU 31 13.073 0.693 -9.869 247 HB2 LEU 31 1HB LEU 31 14.858 -0.327 -12.063 248 HB3 LEU 31 2HB LEU 31 13.118 -0.135 -12.266 249 HG LEU 31 HG LEU 31 14.159 1.764 -13.237 250 HD11 LEU 31 1HD1 LEU 31 12.894 3.378 -12.272 251 HD12 LEU 31 2HD1 LEU 31 13.429 2.981 -10.639 252 HD13 LEU 31 3HD1 LEU 31 12.212 1.983 -11.435 253 HD21 LEU 31 3HD2 LEU 31 16.071 2.664 -12.535 254 HD22 LEU 31 1HD2 LEU 31 16.162 1.339 -11.374 255 HD23 LEU 31 2HD2 LEU 31 15.454 2.882 -10.896 256 H THR 32 H THR 32 11.399 -0.712 -9.788 257 HA THR 32 HA THR 32 11.882 -3.353 -8.843 258 HB THR 32 HB THR 32 9.300 -2.063 -9.745 259 HG1 THR 32 HG1 THR 32 9.183 -1.316 -7.750 260 HG21 THR 32 3HG2 THR 32 9.802 -4.621 -8.222 261 HG22 THR 32 1HG2 THR 32 9.075 -4.468 -9.821 262 HG23 THR 32 2HG2 THR 32 8.225 -3.854 -8.403 263 H LEU 33 H LEU 33 12.530 -4.969 -10.099 264 HA LEU 33 HA LEU 33 12.240 -4.997 -12.919 265 HB2 LEU 33 1HB LEU 33 14.008 -6.151 -11.485 266 HB3 LEU 33 2HB LEU 33 12.800 -7.404 -11.211 267 HG LEU 33 HG LEU 33 14.485 -7.921 -12.987 268 HD11 LEU 33 1HD1 LEU 33 11.788 -8.466 -12.873 269 HD12 LEU 33 2HD1 LEU 33 12.969 -9.270 -13.905 270 HD13 LEU 33 3HD1 LEU 33 12.025 -7.919 -14.533 271 HD21 LEU 33 3HD2 LEU 33 14.565 -5.579 -13.874 272 HD22 LEU 33 1HD2 LEU 33 12.987 -5.870 -14.607 273 HD23 LEU 33 2HD2 LEU 33 14.380 -6.831 -15.103 274 H LEU 34 H LEU 34 10.737 -5.896 -14.211 275 HA LEU 34 HA LEU 34 8.523 -7.339 -12.908 276 HB2 LEU 34 1HB LEU 34 8.482 -5.501 -15.294 277 HB3 LEU 34 2HB LEU 34 7.112 -6.480 -14.775 278 HG LEU 34 HG LEU 34 8.379 -4.190 -13.278 279 HD11 LEU 34 1HD1 LEU 34 5.793 -3.565 -13.499 280 HD12 LEU 34 2HD1 LEU 34 5.974 -4.530 -14.964 281 HD13 LEU 34 3HD1 LEU 34 6.995 -3.115 -14.709 282 HD21 LEU 34 3HD2 LEU 34 6.213 -6.114 -12.453 283 HD22 LEU 34 1HD2 LEU 34 6.523 -4.574 -11.652 284 HD23 LEU 34 2HD2 LEU 34 7.761 -5.830 -11.656 285 H ASN 35 H ASN 35 10.352 -7.010 -15.935 286 HA ASN 35 HA ASN 35 10.143 -9.889 -16.332 287 HB2 ASN 35 1HB ASN 35 8.700 -7.911 -17.918 288 HB3 ASN 35 2HB ASN 35 9.742 -8.931 -18.905 289 HD21 ASN 35 2HD2 ASN 35 9.520 -11.273 -18.597 290 HD22 ASN 35 1HD2 ASN 35 7.950 -11.910 -18.258 291 H SER 36 H SER 36 11.906 -10.766 -17.304 292 HA SER 36 HA SER 36 13.887 -8.939 -18.475 293 HB2 SER 36 1HB SER 36 14.585 -9.391 -16.169 294 HB3 SER 36 2HB SER 36 14.485 -11.126 -16.467 295 HG SER 36 HG SER 36 16.631 -10.140 -16.652 296 H THR 37 H THR 37 11.950 -10.772 -19.668 297 HA THR 37 HA THR 37 12.995 -13.203 -20.481 298 HB THR 37 HB THR 37 10.695 -12.566 -20.976 299 HG1 THR 37 HG1 THR 37 12.037 -12.935 -23.455 300 HG21 THR 37 3HG2 THR 37 11.425 -10.918 -23.315 301 HG22 THR 37 1HG2 THR 37 11.652 -10.162 -21.739 302 HG23 THR 37 2HG2 THR 37 10.064 -10.770 -22.205 303 H ASN 38 H ASN 38 13.806 -9.982 -21.522 304 HA ASN 38 HA ASN 38 15.353 -10.951 -23.789 305 HB2 ASN 38 1HB ASN 38 13.960 -8.641 -23.402 306 HB3 ASN 38 2HB ASN 38 15.595 -8.115 -23.014 307 HD21 ASN 38 2HD2 ASN 38 13.645 -9.708 -25.475 308 HD22 ASN 38 1HD2 ASN 38 14.620 -9.227 -26.817 309 H LYS 39 H LYS 39 17.586 -9.763 -24.003 310 HA LYS 39 HA LYS 39 19.020 -10.069 -21.446 311 HB2 LYS 39 1HB LYS 39 20.199 -10.689 -24.150 312 HB3 LYS 39 2HB LYS 39 20.853 -11.092 -22.568 313 HG2 LYS 39 1HG LYS 39 18.964 -12.633 -22.211 314 HG3 LYS 39 2HG LYS 39 18.388 -12.267 -23.838 315 HD2 LYS 39 1HD LYS 39 20.094 -13.419 -24.848 316 HD3 LYS 39 2HD LYS 39 21.206 -13.168 -23.500 317 HE2 LYS 39 1HE LYS 39 20.747 -15.375 -23.180 318 HE3 LYS 39 2HE LYS 39 19.423 -14.680 -22.246 319 HZ1 LYS 39 3HZ LYS 39 19.159 -16.477 -24.256 320 HZ2 LYS 39 1HZ LYS 39 18.793 -15.015 -25.026 321 HZ3 LYS 39 2HZ LYS 39 17.922 -15.491 -23.657 322 H ASP 40 H ASP 40 18.133 -7.952 -23.829 323 HA ASP 40 HA ASP 40 20.524 -6.276 -23.447 324 HB2 ASP 40 1HB ASP 40 18.524 -6.462 -25.685 325 HB3 ASP 40 2HB ASP 40 19.502 -5.013 -25.466 326 H TRP 41 H TRP 41 17.023 -6.377 -23.253 327 HA TRP 41 HA TRP 41 17.106 -3.894 -21.682 328 HB2 TRP 41 1HB TRP 41 14.982 -4.573 -23.728 329 HB3 TRP 41 2HB TRP 41 15.018 -3.139 -22.706 330 HD1 TRP 41 HD1 TRP 41 16.832 -4.703 -25.715 331 HE1 TRP 41 HE1 TRP 41 18.062 -2.831 -26.982 332 HE3 TRP 41 HE3 TRP 41 15.999 -0.843 -22.469 333 HZ2 TRP 41 HZ2 TRP 41 18.607 -0.081 -26.650 334 HZ3 TRP 41 HZ3 TRP 41 16.909 1.376 -23.017 335 HH2 TRP 41 HH2 TRP 41 18.186 1.747 -25.064 336 H TRP 42 H TRP 42 15.648 -3.766 -19.979 337 HA TRP 42 HA TRP 42 14.128 -6.227 -19.417 338 HB2 TRP 42 1HB TRP 42 15.727 -4.526 -17.496 339 HB3 TRP 42 2HB TRP 42 14.611 -5.792 -16.992 340 HD1 TRP 42 HD1 TRP 42 15.624 -7.758 -19.501 341 HE1 TRP 42 HE1 TRP 42 17.823 -9.042 -19.127 342 HE3 TRP 42 HE3 TRP 42 17.602 -4.905 -15.748 343 HZ2 TRP 42 HZ2 TRP 42 20.096 -8.869 -17.461 344 HZ3 TRP 42 HZ3 TRP 42 19.792 -5.532 -14.818 345 HH2 TRP 42 HH2 TRP 42 21.011 -7.474 -15.658 346 H LYS 43 H LYS 43 12.150 -6.000 -18.350 347 HA LYS 43 HA LYS 43 10.938 -3.362 -18.653 348 HB2 LYS 43 1HB LYS 43 9.790 -5.291 -19.650 349 HB3 LYS 43 2HB LYS 43 9.682 -6.050 -18.067 350 HG2 LYS 43 1HG LYS 43 7.609 -5.148 -18.161 351 HG3 LYS 43 2HG LYS 43 8.466 -3.765 -17.479 352 HD2 LYS 43 1HD LYS 43 7.536 -2.632 -19.183 353 HD3 LYS 43 2HD LYS 43 8.828 -3.356 -20.144 354 HE2 LYS 43 1HE LYS 43 7.412 -5.037 -20.974 355 HE3 LYS 43 2HE LYS 43 6.190 -4.735 -19.740 356 HZ1 LYS 43 3HZ LYS 43 6.275 -3.688 -22.291 357 HZ2 LYS 43 1HZ LYS 43 6.659 -2.396 -21.267 358 HZ3 LYS 43 2HZ LYS 43 5.218 -3.252 -21.045 359 H VAL 44 H VAL 44 10.989 -2.051 -16.957 360 HA VAL 44 HA VAL 44 10.603 -3.214 -14.274 361 HB VAL 44 HB VAL 44 11.972 -1.444 -13.334 362 HG11 VAL 44 1HG1 VAL 44 14.148 -2.131 -14.187 363 HG12 VAL 44 2HG1 VAL 44 13.070 -3.519 -14.036 364 HG13 VAL 44 3HG1 VAL 44 13.384 -2.814 -15.622 365 HG21 VAL 44 3HG2 VAL 44 13.202 0.119 -14.755 366 HG22 VAL 44 1HG2 VAL 44 12.405 -0.546 -16.182 367 HG23 VAL 44 2HG2 VAL 44 11.461 0.308 -14.962 368 H GLU 45 H GLU 45 9.618 -1.737 -12.694 369 HA GLU 45 HA GLU 45 7.653 0.030 -13.995 370 HB2 GLU 45 1HB GLU 45 7.142 -2.155 -12.446 371 HB3 GLU 45 2HB GLU 45 7.102 -0.871 -11.245 372 HG2 GLU 45 1HG GLU 45 5.331 0.229 -12.320 373 HG3 GLU 45 2HG GLU 45 5.540 -0.706 -13.799 374 H VAL 46 H VAL 46 8.042 2.114 -13.711 375 HA VAL 46 HA VAL 46 9.581 2.991 -11.378 376 HB VAL 46 HB VAL 46 9.872 5.109 -12.557 377 HG11 VAL 46 1HG1 VAL 46 11.589 4.305 -13.750 378 HG12 VAL 46 2HG1 VAL 46 11.053 2.724 -13.175 379 HG13 VAL 46 3HG1 VAL 46 10.543 3.307 -14.760 380 HG21 VAL 46 3HG2 VAL 46 9.036 5.444 -14.809 381 HG22 VAL 46 1HG2 VAL 46 8.271 3.855 -14.786 382 HG23 VAL 46 2HG2 VAL 46 7.693 5.128 -13.710 383 H LYS 47 H LYS 47 8.925 5.242 -10.556 384 HA LYS 47 HA LYS 47 5.998 5.298 -10.214 385 HB2 LYS 47 1HB LYS 47 6.403 6.268 -7.985 386 HB3 LYS 47 2HB LYS 47 7.114 4.668 -8.148 387 HG2 LYS 47 1HG LYS 47 9.249 5.450 -8.037 388 HG3 LYS 47 2HG LYS 47 8.832 7.014 -8.741 389 HD2 LYS 47 1HD LYS 47 9.420 7.277 -6.401 390 HD3 LYS 47 2HD LYS 47 7.709 7.638 -6.642 391 HE2 LYS 47 1HE LYS 47 8.181 6.259 -4.624 392 HE3 LYS 47 2HE LYS 47 7.071 5.502 -5.766 393 HZ1 LYS 47 3HZ LYS 47 8.534 3.876 -6.245 394 HZ2 LYS 47 1HZ LYS 47 9.162 4.253 -4.721 395 HZ3 LYS 47 2HZ LYS 47 9.889 4.879 -6.113 396 H ALA 48 H ALA 48 4.980 7.340 -10.052 397 HA ALA 48 HA ALA 48 6.545 9.723 -10.614 398 HB1 ALA 48 1HB ALA 48 4.551 10.014 -12.482 399 HB2 ALA 48 2HB ALA 48 6.229 9.589 -12.820 400 HB3 ALA 48 3HB ALA 48 5.014 8.321 -12.656 401 H THR 49 H THR 49 5.539 11.613 -10.000 402 HA THR 49 HA THR 49 2.974 11.272 -8.595 403 HB THR 49 HB THR 49 4.950 13.504 -8.130 404 HG1 THR 49 HG1 THR 49 5.630 12.220 -6.317 405 HG21 THR 49 3HG2 THR 49 2.539 12.448 -6.679 406 HG22 THR 49 1HG2 THR 49 2.862 14.092 -7.230 407 HG23 THR 49 2HG2 THR 49 3.755 13.429 -5.861 408 H ALA 50 H ALA 50 1.242 12.305 -9.340 409 HA ALA 50 HA ALA 50 1.465 14.861 -10.671 410 HB1 ALA 50 1HB ALA 50 0.234 12.576 -12.198 411 HB2 ALA 50 2HB ALA 50 0.502 14.229 -12.755 412 HB3 ALA 50 3HB ALA 50 1.876 13.161 -12.465 413 H ASN 51 H ASN 51 -0.460 16.014 -10.697 414 HA ASN 51 HA ASN 51 -2.494 16.674 -9.923 415 HB2 ASN 51 1HB ASN 51 -3.443 13.829 -10.095 416 HB3 ASN 51 2HB ASN 51 -4.323 15.313 -10.448 417 HD21 ASN 51 2HD2 ASN 51 -2.555 12.756 -11.721 418 HD22 ASN 51 1HD2 ASN 51 -2.383 13.345 -13.336 419 H GLY 52 H GLY 52 -0.467 15.667 -8.026 420 HA2 GLY 52 1HA GLY 52 -0.342 15.490 -5.734 421 HA3 GLY 52 2HA GLY 52 -2.082 15.728 -5.678 422 H LYS 53 H LYS 53 -0.819 13.170 -7.629 423 HA LYS 53 HA LYS 53 -1.448 11.208 -5.533 424 HB2 LYS 53 1HB LYS 53 -2.368 11.076 -8.411 425 HB3 LYS 53 2HB LYS 53 -2.582 9.802 -7.218 426 HG2 LYS 53 1HG LYS 53 -3.664 12.546 -6.723 427 HG3 LYS 53 2HG LYS 53 -4.545 11.391 -7.726 428 HD2 LYS 53 1HD LYS 53 -4.403 9.764 -5.830 429 HD3 LYS 53 2HD LYS 53 -3.724 11.061 -4.843 430 HE2 LYS 53 1HE LYS 53 -5.714 12.315 -4.941 431 HE3 LYS 53 2HE LYS 53 -6.353 11.350 -6.270 432 HZ1 LYS 53 3HZ LYS 53 -7.428 10.215 -4.709 433 HZ2 LYS 53 1HZ LYS 53 -6.526 10.898 -3.452 434 HZ3 LYS 53 2HZ LYS 53 -5.939 9.542 -4.274 435 H THR 54 H THR 54 -0.339 9.235 -5.669 436 HA THR 54 HA THR 54 2.059 9.337 -7.370 437 HB THR 54 HB THR 54 2.706 7.411 -5.635 438 HG1 THR 54 HG1 THR 54 1.274 9.121 -3.917 439 HG21 THR 54 3HG2 THR 54 2.890 10.204 -4.594 440 HG22 THR 54 1HG2 THR 54 3.677 9.802 -6.120 441 HG23 THR 54 2HG2 THR 54 4.120 8.941 -4.646 442 H TYR 55 H TYR 55 2.096 8.027 -9.063 443 HA TYR 55 HA TYR 55 0.803 5.396 -8.853 444 HB2 TYR 55 1HB TYR 55 -0.128 5.592 -11.069 445 HB3 TYR 55 2HB TYR 55 -0.656 6.977 -10.120 446 HD1 TYR 55 HD2 TYR 55 1.455 5.865 -12.902 447 HD2 TYR 55 HD1 TYR 55 0.124 9.212 -10.637 448 HE1 TYR 55 HE2 TYR 55 2.325 7.377 -14.636 449 HE2 TYR 55 HE1 TYR 55 0.990 10.734 -12.365 450 HH TYR 55 HH TYR 55 2.568 10.776 -14.158 451 H GLU 56 H GLU 56 1.657 3.782 -10.287 452 HA GLU 56 HA GLU 56 4.438 4.346 -11.072 453 HB2 GLU 56 1HB GLU 56 3.097 1.962 -9.894 454 HB3 GLU 56 2HB GLU 56 4.431 1.683 -11.003 455 HG2 GLU 56 1HG GLU 56 5.622 3.469 -9.475 456 HG3 GLU 56 2HG GLU 56 4.432 2.910 -8.302 457 H ARG 57 H ARG 57 5.242 3.481 -13.024 458 HA ARG 57 HA ARG 57 3.216 2.525 -14.926 459 HB2 ARG 57 1HB ARG 57 4.112 3.965 -16.669 460 HB3 ARG 57 2HB ARG 57 3.581 4.933 -15.300 461 HG2 ARG 57 1HG ARG 57 5.753 5.450 -14.660 462 HG3 ARG 57 2HG ARG 57 6.442 4.102 -15.567 463 HD2 ARG 57 1HD ARG 57 6.801 6.390 -16.562 464 HD3 ARG 57 2HD ARG 57 6.084 5.191 -17.637 465 HE ARG 57 HE ARG 57 4.152 6.433 -17.692 466 HH11 ARG 57 1HH1 ARG 57 6.221 7.603 -15.149 467 HH12 ARG 57 2HH1 ARG 57 5.266 9.017 -14.845 468 HH21 ARG 57 1HH2 ARG 57 2.887 8.290 -17.302 469 HH22 ARG 57 2HH2 ARG 57 3.369 9.406 -16.070 470 H GLN 58 H GLN 58 4.090 1.361 -16.756 471 HA GLN 58 HA GLN 58 6.485 -0.131 -16.010 472 HB2 GLN 58 1HB GLN 58 4.076 -0.671 -17.618 473 HB3 GLN 58 2HB GLN 58 5.564 -1.350 -18.265 474 HG2 GLN 58 1HG GLN 58 5.858 -2.765 -16.485 475 HG3 GLN 58 2HG GLN 58 4.918 -1.755 -15.388 476 HE21 GLN 58 2HE2 GLN 58 4.858 -4.321 -17.658 477 HE22 GLN 58 1HE2 GLN 58 3.180 -4.707 -17.516 478 H GLY 59 H GLY 59 8.261 -0.406 -17.373 479 HA2 GLY 59 1HA GLY 59 8.375 0.913 -19.935 480 HA3 GLY 59 2HA GLY 59 9.301 1.730 -18.685 481 H PHE 60 H PHE 60 10.776 0.985 -20.698 482 HA PHE 60 HA PHE 60 12.027 -1.558 -19.888 483 HB2 PHE 60 1HB PHE 60 11.845 -0.240 -22.596 484 HB3 PHE 60 2HB PHE 60 12.977 -1.543 -22.251 485 HD1 PHE 60 HD2 PHE 60 11.997 -3.741 -21.367 486 HD2 PHE 60 HD1 PHE 60 9.674 -0.713 -23.253 487 HE1 PHE 60 HE2 PHE 60 10.241 -5.395 -21.852 488 HE2 PHE 60 HE1 PHE 60 7.914 -2.362 -23.741 489 HZ PHE 60 HZ PHE 60 8.197 -4.707 -23.041 490 H VAL 61 H VAL 61 14.245 -1.641 -19.636 491 HA VAL 61 HA VAL 61 15.738 0.868 -19.940 492 HB VAL 61 HB VAL 61 16.855 0.471 -17.758 493 HG11 VAL 61 1HG1 VAL 61 14.717 1.907 -18.192 494 HG12 VAL 61 2HG1 VAL 61 13.932 0.684 -17.191 495 HG13 VAL 61 3HG1 VAL 61 15.276 1.626 -16.544 496 HG21 VAL 61 3HG2 VAL 61 14.676 -1.578 -17.362 497 HG22 VAL 61 1HG2 VAL 61 16.394 -1.922 -17.563 498 HG23 VAL 61 2HG2 VAL 61 15.831 -1.046 -16.140 499 HA PRO 62 HA PRO 62 18.916 -1.647 -21.631 500 HB2 PRO 62 1HB PRO 62 21.120 -0.220 -20.942 501 HB3 PRO 62 2HB PRO 62 19.989 0.305 -22.195 502 HG2 PRO 62 1HG PRO 62 20.188 1.174 -19.337 503 HG3 PRO 62 2HG PRO 62 19.926 2.157 -20.789 504 HD2 PRO 62 1HD PRO 62 17.908 1.440 -19.131 505 HD3 PRO 62 2HD PRO 62 17.679 1.650 -20.879 506 H ALA 63 H ALA 63 19.336 -3.582 -20.756 507 HA ALA 63 HA ALA 63 19.877 -4.050 -18.031 508 HB1 ALA 63 1HB ALA 63 20.545 -6.333 -18.808 509 HB2 ALA 63 2HB ALA 63 18.950 -5.809 -19.348 510 HB3 ALA 63 3HB ALA 63 20.315 -5.771 -20.464 511 H ALA 64 H ALA 64 21.853 -2.846 -20.492 512 HA ALA 64 HA ALA 64 24.349 -3.902 -19.518 513 HB1 ALA 64 1HB ALA 64 23.764 -1.700 -21.494 514 HB2 ALA 64 2HB ALA 64 25.367 -2.350 -21.146 515 HB3 ALA 64 3HB ALA 64 24.134 -3.384 -21.867 516 H TYR 65 H TYR 65 22.317 -1.232 -18.780 517 HA TYR 65 HA TYR 65 24.482 0.117 -17.323 518 HB2 TYR 65 1HB TYR 65 21.719 1.117 -18.042 519 HB3 TYR 65 2HB TYR 65 22.956 2.047 -17.204 520 HD1 TYR 65 HD1 TYR 65 25.188 0.706 -19.053 521 HD2 TYR 65 HD2 TYR 65 21.596 2.871 -19.768 522 HE1 TYR 65 HE1 TYR 65 26.083 1.465 -21.214 523 HE2 TYR 65 HE2 TYR 65 22.481 3.636 -21.932 524 HH TYR 65 HH TYR 65 25.173 2.271 -23.403 525 H VAL 66 H VAL 66 21.550 -1.668 -16.931 526 HA VAL 66 HA VAL 66 21.635 -1.177 -14.025 527 HB VAL 66 HB VAL 66 19.265 -1.860 -13.959 528 HG11 VAL 66 1HG1 VAL 66 20.225 0.507 -15.455 529 HG12 VAL 66 2HG1 VAL 66 18.493 0.174 -15.504 530 HG13 VAL 66 3HG1 VAL 66 19.304 0.409 -13.955 531 HG21 VAL 66 3HG2 VAL 66 19.700 -3.019 -16.363 532 HG22 VAL 66 1HG2 VAL 66 18.102 -2.625 -15.731 533 HG23 VAL 66 2HG2 VAL 66 18.898 -1.530 -16.861 534 H LYS 67 H LYS 67 21.419 -2.936 -12.622 535 HA LYS 67 HA LYS 67 21.508 -5.614 -13.810 536 HB2 LYS 67 1HB LYS 67 23.828 -5.068 -13.482 537 HB3 LYS 67 2HB LYS 67 23.513 -4.488 -11.851 538 HG2 LYS 67 1HG LYS 67 22.916 -6.765 -11.167 539 HG3 LYS 67 2HG LYS 67 23.270 -7.337 -12.799 540 HD2 LYS 67 1HD LYS 67 25.380 -5.789 -11.397 541 HD3 LYS 67 2HD LYS 67 25.065 -7.433 -10.836 542 HE2 LYS 67 1HE LYS 67 25.592 -6.716 -13.715 543 HE3 LYS 67 2HE LYS 67 26.849 -7.225 -12.589 544 HZ1 LYS 67 3HZ LYS 67 24.811 -8.794 -13.914 545 HZ2 LYS 67 1HZ LYS 67 25.038 -9.168 -12.280 546 HZ3 LYS 67 2HZ LYS 67 26.340 -9.254 -13.356 547 H LYS 68 H LYS 68 20.322 -7.075 -12.737 548 HA LYS 68 HA LYS 68 18.569 -6.310 -10.689 549 HB2 LYS 68 1HB LYS 68 18.485 -8.311 -12.373 550 HB3 LYS 68 2HB LYS 68 19.338 -9.178 -11.103 551 HG2 LYS 68 1HG LYS 68 17.457 -8.430 -9.556 552 HG3 LYS 68 2HG LYS 68 16.587 -7.987 -11.027 553 HD2 LYS 68 1HD LYS 68 17.786 -10.716 -10.743 554 HD3 LYS 68 2HD LYS 68 16.231 -10.343 -9.994 555 HE2 LYS 68 1HE LYS 68 16.526 -9.511 -12.804 556 HE3 LYS 68 2HE LYS 68 16.523 -11.252 -12.524 557 HZ1 LYS 68 3HZ LYS 68 14.294 -10.338 -12.930 558 HZ2 LYS 68 1HZ LYS 68 14.435 -9.384 -11.540 559 HZ3 LYS 68 2HZ LYS 68 14.419 -11.070 -11.410 560 H LEU 69 H LEU 69 18.511 -6.750 -8.487 561 HA LEU 69 HA LEU 69 21.138 -7.199 -7.275 562 HB2 LEU 69 1HB LEU 69 18.649 -6.301 -5.856 563 HB3 LEU 69 2HB LEU 69 20.325 -6.119 -5.343 564 HG LEU 69 HG LEU 69 19.983 -4.743 -7.815 565 HD11 LEU 69 1HD1 LEU 69 17.552 -4.844 -6.644 566 HD12 LEU 69 2HD1 LEU 69 18.121 -3.499 -7.631 567 HD13 LEU 69 3HD1 LEU 69 18.227 -3.408 -5.873 568 HD21 LEU 69 3HD2 LEU 69 20.552 -3.943 -4.973 569 HD22 LEU 69 1HD2 LEU 69 20.531 -2.785 -6.303 570 HD23 LEU 69 2HD2 LEU 69 21.688 -4.117 -6.312 571 H ASP 70 H ASP 70 19.382 -9.340 -8.356 572 HA ASP 70 HA ASP 70 18.067 -10.786 -6.389 573 HB2 ASP 70 1HB ASP 70 18.437 -12.759 -7.798 574 HB3 ASP 70 2HB ASP 70 17.979 -11.365 -8.772 Start of MODEL 2 1 H1 MET 1 H MET 1 5.930 5.037 -1.869 2 HA MET 1 HA MET 1 4.501 3.354 0.080 3 HB2 MET 1 1HB MET 1 3.409 2.302 -1.871 4 HB3 MET 1 2HB MET 1 3.077 4.026 -1.765 5 HG2 MET 1 1HG MET 1 4.726 4.473 -3.487 6 HG3 MET 1 2HG MET 1 5.126 2.759 -3.567 7 HE1 MET 1 3HE MET 1 1.301 4.851 -4.744 8 HE2 MET 1 1HE MET 1 2.717 5.478 -3.900 9 HE3 MET 1 2HE MET 1 2.730 5.338 -5.658 10 H ASP 2 H ASP 2 7.016 3.443 -2.357 11 HA ASP 2 HA ASP 2 8.637 1.961 -2.965 12 HB2 ASP 2 1HB ASP 2 8.283 1.325 -0.038 13 HB3 ASP 2 2HB ASP 2 9.529 0.560 -1.021 14 H GLU 3 H GLU 3 6.877 0.977 -4.316 15 HA GLU 3 HA GLU 3 5.828 -1.560 -3.398 16 HB2 GLU 3 1HB GLU 3 5.493 0.128 -5.840 17 HB3 GLU 3 2HB GLU 3 5.087 -1.580 -5.934 18 HG2 GLU 3 1HG GLU 3 3.975 0.126 -3.748 19 HG3 GLU 3 2HG GLU 3 3.245 0.124 -5.352 20 H THR 4 H THR 4 6.765 -3.471 -3.673 21 HA THR 4 HA THR 4 8.169 -4.304 -5.945 22 HB THR 4 HB THR 4 9.972 -2.863 -5.381 23 HG1 THR 4 HG1 THR 4 10.384 -5.259 -5.727 24 HG21 THR 4 3HG2 THR 4 10.937 -3.603 -2.892 25 HG22 THR 4 1HG2 THR 4 9.193 -3.499 -2.655 26 HG23 THR 4 2HG2 THR 4 10.083 -2.110 -3.278 27 H GLY 5 H GLY 5 7.503 -6.352 -5.879 28 HA2 GLY 5 1HA GLY 5 8.120 -7.926 -3.475 29 HA3 GLY 5 2HA GLY 5 6.487 -7.966 -4.123 30 H LYS 6 H LYS 6 9.123 -7.684 -6.334 31 HA LYS 6 HA LYS 6 9.030 -10.562 -6.905 32 HB2 LYS 6 1HB LYS 6 9.225 -8.877 -9.296 33 HB3 LYS 6 2HB LYS 6 8.269 -10.325 -9.014 34 HG2 LYS 6 1HG LYS 6 6.621 -8.770 -9.305 35 HG3 LYS 6 2HG LYS 6 6.814 -8.715 -7.551 36 HD2 LYS 6 1HD LYS 6 8.439 -6.811 -7.922 37 HD3 LYS 6 2HD LYS 6 7.891 -6.787 -9.599 38 HE2 LYS 6 1HE LYS 6 6.083 -6.494 -7.203 39 HE3 LYS 6 2HE LYS 6 6.733 -5.144 -8.132 40 HZ1 LYS 6 3HZ LYS 6 4.825 -7.220 -9.030 41 HZ2 LYS 6 1HZ LYS 6 5.654 -6.227 -10.120 42 HZ3 LYS 6 2HZ LYS 6 4.602 -5.544 -8.985 43 H GLU 7 H GLU 7 10.629 -7.484 -7.702 44 HA GLU 7 HA GLU 7 13.193 -8.335 -6.998 45 HB2 GLU 7 1HB GLU 7 12.338 -9.265 -9.578 46 HB3 GLU 7 2HB GLU 7 13.662 -8.125 -9.775 47 HG2 GLU 7 1HG GLU 7 13.690 -10.597 -8.060 48 HG3 GLU 7 2HG GLU 7 14.487 -10.397 -9.619 49 H LEU 8 H LEU 8 14.914 -6.826 -7.874 50 HA LEU 8 HA LEU 8 13.894 -4.282 -8.854 51 HB2 LEU 8 1HB LEU 8 15.048 -4.728 -6.138 52 HB3 LEU 8 2HB LEU 8 15.342 -3.200 -6.964 53 HG LEU 8 HG LEU 8 12.535 -4.163 -6.685 54 HD11 LEU 8 1HD1 LEU 8 13.529 -4.456 -4.455 55 HD12 LEU 8 2HD1 LEU 8 12.339 -3.154 -4.494 56 HD13 LEU 8 3HD1 LEU 8 14.061 -2.774 -4.487 57 HD21 LEU 8 3HD2 LEU 8 12.030 -2.069 -7.275 58 HD22 LEU 8 1HD2 LEU 8 13.722 -1.929 -7.752 59 HD23 LEU 8 2HD2 LEU 8 13.208 -1.376 -6.158 60 H VAL 9 H VAL 9 15.432 -3.021 -9.880 61 HA VAL 9 HA VAL 9 18.095 -4.256 -10.168 62 HB VAL 9 HB VAL 9 18.197 -3.449 -12.439 63 HG11 VAL 9 1HG1 VAL 9 15.510 -4.582 -12.627 64 HG12 VAL 9 2HG1 VAL 9 17.045 -5.189 -13.252 65 HG13 VAL 9 3HG1 VAL 9 16.593 -5.493 -11.574 66 HG21 VAL 9 3HG2 VAL 9 16.003 -1.779 -11.569 67 HG22 VAL 9 1HG2 VAL 9 17.071 -1.600 -12.960 68 HG23 VAL 9 2HG2 VAL 9 15.626 -2.605 -13.081 69 H LEU 10 H LEU 10 19.890 -2.941 -10.151 70 HA LEU 10 HA LEU 10 19.466 -0.272 -9.045 71 HB2 LEU 10 1HB LEU 10 20.970 -1.564 -7.770 72 HB3 LEU 10 2HB LEU 10 21.844 -2.100 -9.203 73 HG LEU 10 HG LEU 10 22.770 0.141 -9.487 74 HD11 LEU 10 1HD1 LEU 10 20.654 0.878 -7.764 75 HD12 LEU 10 2HD1 LEU 10 21.834 1.919 -8.558 76 HD13 LEU 10 3HD1 LEU 10 22.167 1.278 -6.950 77 HD21 LEU 10 3HD2 LEU 10 23.707 -1.684 -7.874 78 HD22 LEU 10 1HD2 LEU 10 23.248 -0.534 -6.618 79 HD23 LEU 10 2HD2 LEU 10 24.398 -0.060 -7.869 80 H ALA 11 H ALA 11 19.791 1.537 -10.167 81 HA ALA 11 HA ALA 11 20.488 1.397 -12.947 82 HB1 ALA 11 1HB ALA 11 19.662 3.586 -11.087 83 HB2 ALA 11 2HB ALA 11 20.324 3.975 -12.676 84 HB3 ALA 11 3HB ALA 11 18.866 2.992 -12.545 85 H LEU 12 H LEU 12 22.651 0.561 -12.780 86 HA LEU 12 HA LEU 12 24.766 1.675 -11.399 87 HB2 LEU 12 1HB LEU 12 24.931 0.536 -14.182 88 HB3 LEU 12 2HB LEU 12 26.222 0.614 -12.985 89 HG LEU 12 HG LEU 12 23.725 -1.055 -12.703 90 HD11 LEU 12 1HD1 LEU 12 26.427 -1.653 -13.829 91 HD12 LEU 12 2HD1 LEU 12 24.835 -2.119 -14.425 92 HD13 LEU 12 3HD1 LEU 12 25.511 -2.913 -13.004 93 HD21 LEU 12 3HD2 LEU 12 26.192 -1.599 -11.172 94 HD22 LEU 12 1HD2 LEU 12 24.501 -1.748 -10.695 95 HD23 LEU 12 2HD2 LEU 12 25.276 -0.164 -10.709 96 H TYR 13 H TYR 13 23.571 2.522 -14.633 97 HA TYR 13 HA TYR 13 25.092 5.038 -14.432 98 HB2 TYR 13 1HB TYR 13 24.538 3.371 -16.892 99 HB3 TYR 13 2HB TYR 13 25.217 4.994 -16.933 100 HD1 TYR 13 HD1 TYR 13 27.466 5.406 -15.912 101 HD2 TYR 13 HD2 TYR 13 25.894 1.485 -16.417 102 HE1 TYR 13 HE1 TYR 13 29.725 4.473 -15.642 103 HE2 TYR 13 HE2 TYR 13 28.149 0.540 -16.147 104 HH TYR 13 HH TYR 13 30.774 2.350 -14.987 105 H ASP 14 H ASP 14 24.137 6.885 -15.463 106 HA ASP 14 HA ASP 14 21.318 7.040 -15.039 107 HB2 ASP 14 1HB ASP 14 21.564 9.382 -15.800 108 HB3 ASP 14 2HB ASP 14 22.739 8.956 -14.559 109 H TYR 15 H TYR 15 19.757 7.782 -16.636 110 HA TYR 15 HA TYR 15 20.422 7.180 -19.419 111 HB2 TYR 15 1HB TYR 15 19.399 5.162 -18.098 112 HB3 TYR 15 2HB TYR 15 17.888 6.043 -18.291 113 HD1 TYR 15 HD1 TYR 15 20.792 5.455 -20.574 114 HD2 TYR 15 HD2 TYR 15 16.608 5.035 -19.924 115 HE1 TYR 15 HE1 TYR 15 20.541 4.517 -22.834 116 HE2 TYR 15 HE2 TYR 15 16.346 4.095 -22.182 117 HH TYR 15 HH TYR 15 18.902 4.153 -24.505 118 H GLN 16 H GLN 16 18.429 7.674 -20.843 119 HA GLN 16 HA GLN 16 16.732 9.779 -19.774 120 HB2 GLN 16 1HB GLN 16 19.107 10.428 -21.105 121 HB3 GLN 16 2HB GLN 16 17.839 10.661 -22.300 122 HG2 GLN 16 1HG GLN 16 17.551 12.669 -21.406 123 HG3 GLN 16 2HG GLN 16 16.799 11.841 -20.044 124 HE21 GLN 16 2HE2 GLN 16 17.515 12.586 -18.192 125 HE22 GLN 16 1HE2 GLN 16 19.136 13.067 -17.839 126 H GLU 17 H GLU 17 14.919 8.592 -20.220 127 HA GLU 17 HA GLU 17 14.387 7.037 -22.436 128 HB2 GLU 17 1HB GLU 17 12.019 7.324 -21.915 129 HB3 GLU 17 2HB GLU 17 12.956 7.096 -20.445 130 HG2 GLU 17 1HG GLU 17 11.525 8.800 -19.862 131 HG3 GLU 17 2HG GLU 17 12.979 9.676 -20.338 132 H LYS 18 H LYS 18 13.359 7.376 -24.411 133 HA LYS 18 HA LYS 18 13.349 10.175 -25.336 134 HB2 LYS 18 1HB LYS 18 13.724 9.142 -27.631 135 HB3 LYS 18 2HB LYS 18 15.078 9.074 -26.511 136 HG2 LYS 18 1HG LYS 18 13.259 6.752 -26.499 137 HG3 LYS 18 2HG LYS 18 14.241 6.978 -27.948 138 HD2 LYS 18 1HD LYS 18 16.131 7.361 -26.101 139 HD3 LYS 18 2HD LYS 18 15.056 6.308 -25.178 140 HE2 LYS 18 1HE LYS 18 15.253 4.563 -26.748 141 HE3 LYS 18 2HE LYS 18 15.959 5.629 -27.962 142 HZ1 LYS 18 3HZ LYS 18 17.683 5.822 -25.878 143 HZ2 LYS 18 1HZ LYS 18 17.899 4.844 -27.241 144 HZ3 LYS 18 2HZ LYS 18 17.233 4.192 -25.830 145 H SER 19 H SER 19 11.569 7.243 -25.024 146 HA SER 19 HA SER 19 9.322 8.460 -26.493 147 HB2 SER 19 1HB SER 19 10.394 5.691 -26.505 148 HB3 SER 19 2HB SER 19 8.639 5.858 -26.528 149 HG SER 19 HG SER 19 9.173 5.950 -28.624 150 HA PRO 20 HA PRO 20 6.836 8.217 -22.888 151 HB2 PRO 20 1HB PRO 20 4.423 7.475 -23.886 152 HB3 PRO 20 2HB PRO 20 5.111 9.084 -24.133 153 HG2 PRO 20 1HG PRO 20 5.088 6.730 -25.982 154 HG3 PRO 20 2HG PRO 20 4.784 8.440 -26.343 155 HD2 PRO 20 1HD PRO 20 7.158 7.242 -26.856 156 HD3 PRO 20 2HD PRO 20 7.030 8.955 -26.408 157 H ARG 21 H ARG 21 7.083 5.397 -24.913 158 HA ARG 21 HA ARG 21 5.809 3.636 -23.013 159 HB2 ARG 21 1HB ARG 21 6.055 3.453 -25.656 160 HB3 ARG 21 2HB ARG 21 7.521 2.588 -25.214 161 HG2 ARG 21 1HG ARG 21 6.286 0.950 -24.008 162 HG3 ARG 21 2HG ARG 21 4.798 1.887 -24.151 163 HD2 ARG 21 1HD ARG 21 6.304 0.847 -26.537 164 HD3 ARG 21 2HD ARG 21 5.051 -0.088 -25.721 165 HE ARG 21 HE ARG 21 4.026 2.446 -26.345 166 HH11 ARG 21 1HH1 ARG 21 5.068 -0.477 -27.925 167 HH12 ARG 21 2HH1 ARG 21 4.009 -0.276 -29.282 168 HH21 ARG 21 1HH2 ARG 21 2.628 2.722 -28.126 169 HH22 ARG 21 2HH2 ARG 21 2.623 1.544 -29.396 170 H GLU 22 H GLU 22 9.030 4.703 -23.782 171 HA GLU 22 HA GLU 22 10.294 2.625 -22.205 172 HB2 GLU 22 1HB GLU 22 11.227 3.807 -24.333 173 HB3 GLU 22 2HB GLU 22 11.702 5.074 -23.212 174 HG2 GLU 22 1HG GLU 22 13.303 3.798 -22.223 175 HG3 GLU 22 2HG GLU 22 12.453 2.287 -22.539 176 H VAL 23 H VAL 23 11.956 3.344 -20.542 177 HA VAL 23 HA VAL 23 10.908 5.584 -18.940 178 HB VAL 23 HB VAL 23 11.624 4.195 -16.914 179 HG11 VAL 23 1HG1 VAL 23 9.455 2.778 -17.121 180 HG12 VAL 23 2HG1 VAL 23 9.344 4.539 -17.093 181 HG13 VAL 23 3HG1 VAL 23 9.229 3.671 -18.624 182 HG21 VAL 23 3HG2 VAL 23 11.038 1.704 -18.295 183 HG22 VAL 23 1HG2 VAL 23 12.532 2.458 -18.853 184 HG23 VAL 23 2HG2 VAL 23 12.318 2.084 -17.143 185 H THR 24 H THR 24 12.608 5.889 -16.998 186 HA THR 24 HA THR 24 15.336 5.766 -18.061 187 HB THR 24 HB THR 24 14.166 8.031 -18.534 188 HG1 THR 24 HG1 THR 24 16.226 9.097 -17.824 189 HG21 THR 24 3HG2 THR 24 13.797 9.508 -16.831 190 HG22 THR 24 1HG2 THR 24 15.042 8.804 -15.801 191 HG23 THR 24 2HG2 THR 24 13.477 8.006 -15.965 192 H MET 25 H MET 25 16.945 6.507 -16.350 193 HA MET 25 HA MET 25 16.069 6.241 -13.607 194 HB2 MET 25 1HB MET 25 17.487 4.326 -13.092 195 HB3 MET 25 2HB MET 25 16.294 3.896 -14.310 196 HG2 MET 25 1HG MET 25 18.977 4.801 -15.209 197 HG3 MET 25 2HG MET 25 18.810 3.182 -14.533 198 HE1 MET 25 3HE MET 25 19.956 2.728 -16.579 199 HE2 MET 25 1HE MET 25 18.947 1.553 -17.424 200 HE3 MET 25 2HE MET 25 19.396 3.063 -18.218 201 H LYS 26 H LYS 26 17.840 6.599 -12.068 202 HA LYS 26 HA LYS 26 20.006 8.193 -13.274 203 HB2 LYS 26 1HB LYS 26 18.207 9.385 -11.879 204 HB3 LYS 26 2HB LYS 26 18.939 8.595 -10.488 205 HG2 LYS 26 1HG LYS 26 20.771 9.917 -10.526 206 HG3 LYS 26 2HG LYS 26 20.768 10.061 -12.285 207 HD2 LYS 26 1HD LYS 26 18.563 11.340 -10.744 208 HD3 LYS 26 2HD LYS 26 20.152 12.108 -10.740 209 HE2 LYS 26 1HE LYS 26 19.278 13.115 -12.583 210 HE3 LYS 26 2HE LYS 26 19.942 11.673 -13.351 211 HZ1 LYS 26 3HZ LYS 26 17.481 12.421 -13.767 212 HZ2 LYS 26 1HZ LYS 26 17.197 11.563 -12.337 213 HZ3 LYS 26 2HZ LYS 26 17.886 10.781 -13.669 214 H LYS 27 H LYS 27 22.039 8.226 -12.122 215 HA LYS 27 HA LYS 27 23.014 5.705 -11.474 216 HB2 LYS 27 1HB LYS 27 24.009 8.454 -11.395 217 HB3 LYS 27 2HB LYS 27 24.734 7.423 -10.168 218 HG2 LYS 27 1HG LYS 27 26.144 6.719 -11.722 219 HG3 LYS 27 2HG LYS 27 24.785 5.895 -12.490 220 HD2 LYS 27 1HD LYS 27 25.830 7.246 -14.153 221 HD3 LYS 27 2HD LYS 27 24.308 8.029 -13.720 222 HE2 LYS 27 1HE LYS 27 25.374 9.727 -12.542 223 HE3 LYS 27 2HE LYS 27 26.858 8.794 -12.351 224 HZ1 LYS 27 3HZ LYS 27 27.517 10.165 -14.004 225 HZ2 LYS 27 1HZ LYS 27 25.954 10.406 -14.605 226 HZ3 LYS 27 2HZ LYS 27 26.794 8.986 -14.978 227 H GLY 28 H GLY 28 22.337 4.479 -9.835 228 HA2 GLY 28 1HA GLY 28 22.497 3.944 -7.514 229 HA3 GLY 28 2HA GLY 28 22.361 5.656 -7.143 230 H ASP 29 H ASP 29 20.182 4.628 -9.526 231 HA ASP 29 HA ASP 29 17.972 4.911 -7.653 232 HB2 ASP 29 1HB ASP 29 18.051 6.083 -9.899 233 HB3 ASP 29 2HB ASP 29 17.803 4.504 -10.640 234 H ILE 30 H ILE 30 16.099 3.417 -7.848 235 HA ILE 30 HA ILE 30 16.911 0.671 -8.514 236 HB ILE 30 HB ILE 30 15.313 1.361 -6.051 237 HG12 ILE 30 1HG1 ILE 30 18.249 0.652 -6.250 238 HG13 ILE 30 2HG1 ILE 30 17.611 2.247 -5.865 239 HG21 ILE 30 1HG2 ILE 30 15.081 -0.839 -5.728 240 HG22 ILE 30 2HG2 ILE 30 15.528 -0.999 -7.426 241 HG23 ILE 30 3HG2 ILE 30 16.755 -1.172 -6.171 242 HD11 ILE 30 3HD1 ILE 30 17.844 1.620 -3.744 243 HD12 ILE 30 1HD1 ILE 30 16.386 0.663 -4.006 244 HD13 ILE 30 2HD1 ILE 30 17.975 -0.087 -4.167 245 H LEU 31 H LEU 31 15.518 -0.278 -9.838 246 HA LEU 31 HA LEU 31 12.728 0.673 -9.862 247 HB2 LEU 31 1HB LEU 31 13.905 -0.599 -12.273 248 HB3 LEU 31 2HB LEU 31 12.654 0.637 -12.144 249 HG LEU 31 HG LEU 31 15.614 1.093 -11.769 250 HD11 LEU 31 1HD1 LEU 31 14.741 0.557 -14.109 251 HD12 LEU 31 2HD1 LEU 31 15.665 2.045 -13.902 252 HD13 LEU 31 3HD1 LEU 31 13.907 2.109 -14.017 253 HD21 LEU 31 3HD2 LEU 31 15.151 3.150 -11.039 254 HD22 LEU 31 1HD2 LEU 31 13.516 2.557 -10.749 255 HD23 LEU 31 2HD2 LEU 31 13.897 3.391 -12.256 256 H THR 32 H THR 32 11.151 -0.811 -9.680 257 HA THR 32 HA THR 32 11.788 -3.449 -8.860 258 HB THR 32 HB THR 32 9.125 -2.245 -9.636 259 HG1 THR 32 HG1 THR 32 9.263 -1.407 -7.707 260 HG21 THR 32 3HG2 THR 32 8.647 -4.324 -7.889 261 HG22 THR 32 1HG2 THR 32 9.891 -4.974 -8.955 262 HG23 THR 32 2HG2 THR 32 8.383 -4.359 -9.632 263 H LEU 33 H LEU 33 12.258 -5.148 -10.078 264 HA LEU 33 HA LEU 33 12.069 -5.095 -12.912 265 HB2 LEU 33 1HB LEU 33 13.729 -6.366 -11.431 266 HB3 LEU 33 2HB LEU 33 12.454 -7.571 -11.260 267 HG LEU 33 HG LEU 33 14.185 -8.115 -12.974 268 HD11 LEU 33 1HD1 LEU 33 12.649 -9.318 -14.054 269 HD12 LEU 33 2HD1 LEU 33 11.801 -7.883 -14.631 270 HD13 LEU 33 3HD1 LEU 33 11.469 -8.515 -13.018 271 HD21 LEU 33 3HD2 LEU 33 12.928 -6.166 -14.830 272 HD22 LEU 33 1HD2 LEU 33 14.552 -6.855 -14.836 273 HD23 LEU 33 2HD2 LEU 33 14.144 -5.569 -13.700 274 H LEU 34 H LEU 34 10.551 -5.870 -14.260 275 HA LEU 34 HA LEU 34 8.231 -7.224 -13.051 276 HB2 LEU 34 1HB LEU 34 8.474 -5.047 -15.022 277 HB3 LEU 34 2HB LEU 34 7.255 -6.268 -15.379 278 HG LEU 34 HG LEU 34 6.332 -4.309 -14.210 279 HD11 LEU 34 1HD1 LEU 34 5.877 -6.137 -12.069 280 HD12 LEU 34 2HD1 LEU 34 5.964 -7.033 -13.585 281 HD13 LEU 34 3HD1 LEU 34 4.814 -5.708 -13.409 282 HD21 LEU 34 3HD2 LEU 34 6.883 -3.901 -11.879 283 HD22 LEU 34 1HD2 LEU 34 8.320 -3.742 -12.890 284 HD23 LEU 34 2HD2 LEU 34 8.082 -5.194 -11.918 285 H ASN 35 H ASN 35 10.177 -6.973 -16.012 286 HA ASN 35 HA ASN 35 9.753 -9.832 -16.462 287 HB2 ASN 35 1HB ASN 35 8.446 -7.837 -17.973 288 HB3 ASN 35 2HB ASN 35 9.726 -8.476 -19.001 289 HD21 ASN 35 2HD2 ASN 35 8.315 -9.487 -20.392 290 HD22 ASN 35 1HD2 ASN 35 7.413 -10.893 -19.949 291 H SER 36 H SER 36 11.588 -10.843 -16.963 292 HA SER 36 HA SER 36 13.817 -9.245 -18.039 293 HB2 SER 36 1HB SER 36 15.376 -10.452 -16.644 294 HB3 SER 36 2HB SER 36 14.106 -9.795 -15.611 295 HG SER 36 HG SER 36 13.695 -11.755 -15.017 296 H THR 37 H THR 37 11.907 -10.825 -19.498 297 HA THR 37 HA THR 37 12.856 -13.385 -20.151 298 HB THR 37 HB THR 37 10.626 -12.727 -20.801 299 HG1 THR 37 HG1 THR 37 12.033 -12.966 -23.248 300 HG21 THR 37 3HG2 THR 37 11.057 -10.342 -21.189 301 HG22 THR 37 1HG2 THR 37 10.214 -11.074 -22.553 302 HG23 THR 37 2HG2 THR 37 11.943 -10.743 -22.660 303 H ASN 38 H ASN 38 13.944 -10.233 -21.064 304 HA ASN 38 HA ASN 38 15.685 -11.382 -23.136 305 HB2 ASN 38 1HB ASN 38 14.092 -9.247 -23.401 306 HB3 ASN 38 2HB ASN 38 15.514 -8.437 -22.751 307 HD21 ASN 38 2HD2 ASN 38 14.404 -10.583 -25.311 308 HD22 ASN 38 1HD2 ASN 38 15.601 -10.118 -26.468 309 H LYS 39 H LYS 39 17.857 -10.151 -23.291 310 HA LYS 39 HA LYS 39 18.981 -9.946 -20.574 311 HB2 LYS 39 1HB LYS 39 21.089 -10.768 -21.483 312 HB3 LYS 39 2HB LYS 39 19.792 -11.911 -21.808 313 HG2 LYS 39 1HG LYS 39 19.635 -10.677 -24.090 314 HG3 LYS 39 2HG LYS 39 21.269 -10.137 -23.698 315 HD2 LYS 39 1HD LYS 39 21.460 -12.129 -24.999 316 HD3 LYS 39 2HD LYS 39 21.880 -12.540 -23.335 317 HE2 LYS 39 1HE LYS 39 19.882 -13.681 -22.984 318 HE3 LYS 39 2HE LYS 39 19.078 -12.884 -24.336 319 HZ1 LYS 39 3HZ LYS 39 21.002 -14.138 -25.635 320 HZ2 LYS 39 1HZ LYS 39 19.507 -14.860 -25.310 321 HZ3 LYS 39 2HZ LYS 39 20.842 -15.201 -24.330 322 H ASP 40 H ASP 40 18.682 -8.479 -23.697 323 HA ASP 40 HA ASP 40 20.750 -6.523 -23.284 324 HB2 ASP 40 1HB ASP 40 18.533 -6.690 -25.335 325 HB3 ASP 40 2HB ASP 40 19.813 -5.480 -25.346 326 H TRP 41 H TRP 41 17.228 -6.615 -23.039 327 HA TRP 41 HA TRP 41 17.347 -4.132 -21.478 328 HB2 TRP 41 1HB TRP 41 15.248 -4.711 -23.579 329 HB3 TRP 41 2HB TRP 41 15.350 -3.271 -22.570 330 HD1 TRP 41 HD1 TRP 41 17.400 -5.038 -25.345 331 HE1 TRP 41 HE1 TRP 41 18.655 -3.228 -26.677 332 HE3 TRP 41 HE3 TRP 41 16.078 -0.940 -22.589 333 HZ2 TRP 41 HZ2 TRP 41 19.034 -0.432 -26.573 334 HZ3 TRP 41 HZ3 TRP 41 16.929 1.266 -23.272 335 HH2 TRP 41 HH2 TRP 41 18.377 1.512 -25.223 336 H TRP 42 H TRP 42 15.825 -3.950 -19.833 337 HA TRP 42 HA TRP 42 14.189 -6.350 -19.341 338 HB2 TRP 42 1HB TRP 42 15.647 -4.716 -17.253 339 HB3 TRP 42 2HB TRP 42 14.656 -6.141 -16.954 340 HD1 TRP 42 HD1 TRP 42 15.895 -7.905 -19.386 341 HE1 TRP 42 HE1 TRP 42 18.248 -8.901 -19.084 342 HE3 TRP 42 HE3 TRP 42 17.624 -4.801 -15.710 343 HZ2 TRP 42 HZ2 TRP 42 20.535 -8.434 -17.497 344 HZ3 TRP 42 HZ3 TRP 42 19.905 -5.144 -14.854 345 HH2 TRP 42 HH2 TRP 42 21.329 -6.923 -15.730 346 H LYS 43 H LYS 43 12.210 -6.040 -18.264 347 HA LYS 43 HA LYS 43 11.091 -3.376 -18.647 348 HB2 LYS 43 1HB LYS 43 9.869 -5.300 -19.552 349 HB3 LYS 43 2HB LYS 43 9.755 -5.996 -17.941 350 HG2 LYS 43 1HG LYS 43 7.718 -5.031 -18.015 351 HG3 LYS 43 2HG LYS 43 8.629 -3.629 -17.448 352 HD2 LYS 43 1HD LYS 43 7.806 -2.540 -19.214 353 HD3 LYS 43 2HD LYS 43 8.890 -3.523 -20.202 354 HE2 LYS 43 1HE LYS 43 6.036 -4.189 -19.485 355 HE3 LYS 43 2HE LYS 43 6.605 -3.612 -21.050 356 HZ1 LYS 43 3HZ LYS 43 7.060 -6.232 -19.774 357 HZ2 LYS 43 1HZ LYS 43 8.110 -5.666 -20.974 358 HZ3 LYS 43 2HZ LYS 43 6.471 -5.892 -21.323 359 H VAL 44 H VAL 44 11.239 -2.000 -17.006 360 HA VAL 44 HA VAL 44 10.845 -3.034 -14.272 361 HB VAL 44 HB VAL 44 12.230 -1.186 -13.450 362 HG11 VAL 44 1HG1 VAL 44 13.662 -2.918 -13.573 363 HG12 VAL 44 2HG1 VAL 44 13.237 -3.287 -15.246 364 HG13 VAL 44 3HG1 VAL 44 14.375 -1.987 -14.889 365 HG21 VAL 44 3HG2 VAL 44 11.983 -0.305 -16.211 366 HG22 VAL 44 1HG2 VAL 44 12.407 0.610 -14.764 367 HG23 VAL 44 2HG2 VAL 44 13.651 -0.285 -15.637 368 H GLU 45 H GLU 45 9.718 -1.681 -12.791 369 HA GLU 45 HA GLU 45 7.834 0.138 -14.126 370 HB2 GLU 45 1HB GLU 45 6.854 -1.808 -12.961 371 HB3 GLU 45 2HB GLU 45 7.579 -1.259 -11.457 372 HG2 GLU 45 1HG GLU 45 6.115 0.491 -11.225 373 HG3 GLU 45 2HG GLU 45 5.783 0.583 -12.954 374 H VAL 46 H VAL 46 8.254 2.224 -13.902 375 HA VAL 46 HA VAL 46 9.861 3.162 -11.657 376 HB VAL 46 HB VAL 46 8.802 4.885 -13.883 377 HG11 VAL 46 1HG1 VAL 46 11.012 6.052 -13.406 378 HG12 VAL 46 2HG1 VAL 46 9.762 6.176 -12.166 379 HG13 VAL 46 3HG1 VAL 46 11.103 5.050 -11.958 380 HG21 VAL 46 3HG2 VAL 46 9.846 3.122 -15.067 381 HG22 VAL 46 1HG2 VAL 46 11.027 4.430 -14.999 382 HG23 VAL 46 2HG2 VAL 46 11.182 3.044 -13.919 383 H LYS 47 H LYS 47 9.225 5.097 -10.471 384 HA LYS 47 HA LYS 47 6.320 5.148 -10.010 385 HB2 LYS 47 1HB LYS 47 8.687 5.619 -8.227 386 HB3 LYS 47 2HB LYS 47 7.122 6.307 -7.814 387 HG2 LYS 47 1HG LYS 47 6.151 4.230 -7.482 388 HG3 LYS 47 2HG LYS 47 7.380 3.394 -8.434 389 HD2 LYS 47 1HD LYS 47 7.688 2.936 -6.068 390 HD3 LYS 47 2HD LYS 47 9.042 3.884 -6.689 391 HE2 LYS 47 1HE LYS 47 7.983 5.923 -5.793 392 HE3 LYS 47 2HE LYS 47 6.686 4.935 -5.124 393 HZ1 LYS 47 3HZ LYS 47 9.542 4.959 -4.344 394 HZ2 LYS 47 1HZ LYS 47 8.490 3.714 -3.889 395 HZ3 LYS 47 2HZ LYS 47 8.193 5.300 -3.381 396 H ALA 48 H ALA 48 5.267 7.155 -9.657 397 HA ALA 48 HA ALA 48 6.710 9.608 -10.221 398 HB1 ALA 48 1HB ALA 48 5.168 8.236 -12.247 399 HB2 ALA 48 2HB ALA 48 4.546 9.857 -11.939 400 HB3 ALA 48 3HB ALA 48 6.235 9.633 -12.394 401 H THR 49 H THR 49 5.373 11.530 -9.904 402 HA THR 49 HA THR 49 2.941 11.032 -8.328 403 HB THR 49 HB THR 49 5.079 13.027 -7.557 404 HG1 THR 49 HG1 THR 49 5.969 11.299 -6.710 405 HG21 THR 49 3HG2 THR 49 2.744 13.631 -6.953 406 HG22 THR 49 1HG2 THR 49 3.777 13.358 -5.551 407 HG23 THR 49 2HG2 THR 49 2.624 12.121 -6.050 408 H ALA 50 H ALA 50 1.267 12.196 -9.004 409 HA ALA 50 HA ALA 50 1.611 14.890 -9.999 410 HB1 ALA 50 1HB ALA 50 2.036 13.598 -12.014 411 HB2 ALA 50 2HB ALA 50 0.509 12.740 -11.804 412 HB3 ALA 50 3HB ALA 50 0.509 14.470 -12.147 413 H ASN 51 H ASN 51 -0.308 16.092 -10.017 414 HA ASN 51 HA ASN 51 -2.347 16.727 -9.232 415 HB2 ASN 51 1HB ASN 51 -3.275 13.900 -9.715 416 HB3 ASN 51 2HB ASN 51 -4.205 15.391 -9.833 417 HD21 ASN 51 2HD2 ASN 51 -2.113 13.203 -11.432 418 HD22 ASN 51 1HD2 ASN 51 -2.112 13.982 -12.975 419 H GLY 52 H GLY 52 -0.409 15.665 -7.347 420 HA2 GLY 52 1HA GLY 52 -0.346 15.296 -5.077 421 HA3 GLY 52 2HA GLY 52 -2.092 15.493 -5.061 422 H LYS 53 H LYS 53 -0.795 13.121 -7.187 423 HA LYS 53 HA LYS 53 -1.399 10.990 -5.251 424 HB2 LYS 53 1HB LYS 53 -2.362 11.216 -8.102 425 HB3 LYS 53 2HB LYS 53 -2.381 9.703 -7.205 426 HG2 LYS 53 1HG LYS 53 -3.764 12.195 -6.250 427 HG3 LYS 53 2HG LYS 53 -4.546 10.974 -7.257 428 HD2 LYS 53 1HD LYS 53 -3.849 9.290 -5.480 429 HD3 LYS 53 2HD LYS 53 -3.470 10.681 -4.462 430 HE2 LYS 53 1HE LYS 53 -5.746 11.445 -4.567 431 HE3 LYS 53 2HE LYS 53 -6.155 10.202 -5.749 432 HZ1 LYS 53 3HZ LYS 53 -5.487 9.834 -2.887 433 HZ2 LYS 53 1HZ LYS 53 -5.520 8.549 -3.986 434 HZ3 LYS 53 2HZ LYS 53 -6.927 9.435 -3.679 435 H THR 54 H THR 54 -0.258 9.047 -5.528 436 HA THR 54 HA THR 54 2.143 9.307 -7.212 437 HB THR 54 HB THR 54 2.851 7.325 -5.561 438 HG1 THR 54 HG1 THR 54 1.950 7.591 -3.546 439 HG21 THR 54 3HG2 THR 54 3.069 10.280 -5.371 440 HG22 THR 54 1HG2 THR 54 4.331 9.063 -5.561 441 HG23 THR 54 2HG2 THR 54 3.598 9.334 -3.980 442 H TYR 55 H TYR 55 2.358 7.976 -8.883 443 HA TYR 55 HA TYR 55 0.954 5.392 -8.829 444 HB2 TYR 55 1HB TYR 55 0.266 5.644 -11.118 445 HB3 TYR 55 2HB TYR 55 -0.264 7.071 -10.234 446 HD1 TYR 55 HD2 TYR 55 0.872 9.233 -10.575 447 HD2 TYR 55 HD1 TYR 55 1.894 5.801 -12.872 448 HE1 TYR 55 HE2 TYR 55 2.015 10.674 -12.208 449 HE2 TYR 55 HE1 TYR 55 3.041 7.232 -14.511 450 HH TYR 55 HH TYR 55 3.117 10.764 -14.130 451 H GLU 56 H GLU 56 1.766 4.323 -11.173 452 HA GLU 56 HA GLU 56 4.661 4.592 -11.364 453 HB2 GLU 56 1HB GLU 56 3.397 1.903 -10.831 454 HB3 GLU 56 2HB GLU 56 5.112 2.265 -10.968 455 HG2 GLU 56 1HG GLU 56 4.717 3.815 -8.948 456 HG3 GLU 56 2HG GLU 56 3.227 2.896 -8.737 457 H ARG 57 H ARG 57 5.552 3.691 -13.270 458 HA ARG 57 HA ARG 57 3.589 2.819 -15.280 459 HB2 ARG 57 1HB ARG 57 4.930 4.140 -16.966 460 HB3 ARG 57 2HB ARG 57 3.990 5.096 -15.828 461 HG2 ARG 57 1HG ARG 57 6.083 5.354 -14.467 462 HG3 ARG 57 2HG ARG 57 6.956 4.612 -15.810 463 HD2 ARG 57 1HD ARG 57 5.439 7.208 -15.780 464 HD3 ARG 57 2HD ARG 57 7.154 6.952 -16.098 465 HE ARG 57 HE ARG 57 5.982 5.562 -18.080 466 HH11 ARG 57 1HH1 ARG 57 5.531 8.805 -16.898 467 HH12 ARG 57 2HH1 ARG 57 5.065 9.442 -18.440 468 HH21 ARG 57 1HH2 ARG 57 5.370 6.388 -20.116 469 HH22 ARG 57 2HH2 ARG 57 4.973 8.066 -20.270 470 H GLN 58 H GLN 58 4.266 1.256 -16.697 471 HA GLN 58 HA GLN 58 6.764 -0.081 -15.996 472 HB2 GLN 58 1HB GLN 58 4.347 -0.932 -17.583 473 HB3 GLN 58 2HB GLN 58 5.819 -1.892 -17.523 474 HG2 GLN 58 1HG GLN 58 5.604 -2.177 -15.151 475 HG3 GLN 58 2HG GLN 58 4.228 -1.076 -15.104 476 HE21 GLN 58 2HE2 GLN 58 5.191 -3.914 -17.013 477 HE22 GLN 58 1HE2 GLN 58 3.690 -4.751 -16.840 478 H GLY 59 H GLY 59 8.520 -0.083 -17.254 479 HA2 GLY 59 1HA GLY 59 8.261 0.511 -20.106 480 HA3 GLY 59 2HA GLY 59 9.236 1.611 -19.143 481 H PHE 60 H PHE 60 10.662 0.652 -21.027 482 HA PHE 60 HA PHE 60 12.054 -1.721 -19.975 483 HB2 PHE 60 1HB PHE 60 12.049 -0.660 -22.808 484 HB3 PHE 60 2HB PHE 60 12.854 -2.123 -22.250 485 HD1 PHE 60 HD1 PHE 60 9.555 -0.545 -22.770 486 HD2 PHE 60 HD2 PHE 60 11.690 -4.159 -22.065 487 HE1 PHE 60 HE1 PHE 60 7.514 -1.838 -23.238 488 HE2 PHE 60 HE2 PHE 60 9.654 -5.458 -22.533 489 HZ PHE 60 HZ PHE 60 7.562 -4.298 -23.121 490 H VAL 61 H VAL 61 14.282 -1.696 -19.772 491 HA VAL 61 HA VAL 61 15.668 0.826 -20.344 492 HB VAL 61 HB VAL 61 16.824 0.699 -18.149 493 HG11 VAL 61 1HG1 VAL 61 13.986 0.876 -17.373 494 HG12 VAL 61 2HG1 VAL 61 15.290 2.051 -17.193 495 HG13 VAL 61 3HG1 VAL 61 14.472 1.871 -18.745 496 HG21 VAL 61 3HG2 VAL 61 16.322 -1.739 -17.804 497 HG22 VAL 61 1HG2 VAL 61 16.040 -0.711 -16.399 498 HG23 VAL 61 2HG2 VAL 61 14.678 -1.267 -17.371 499 HA PRO 62 HA PRO 62 18.923 -1.733 -21.810 500 HB2 PRO 62 1HB PRO 62 21.076 -0.158 -21.309 501 HB3 PRO 62 2HB PRO 62 19.911 0.188 -22.592 502 HG2 PRO 62 1HG PRO 62 20.108 1.362 -19.845 503 HG3 PRO 62 2HG PRO 62 19.791 2.174 -21.389 504 HD2 PRO 62 1HD PRO 62 17.822 1.562 -19.635 505 HD3 PRO 62 2HD PRO 62 17.565 1.576 -21.391 506 H ALA 63 H ALA 63 19.631 -3.524 -20.849 507 HA ALA 63 HA ALA 63 20.071 -3.791 -18.083 508 HB1 ALA 63 1HB ALA 63 19.467 -5.720 -19.330 509 HB2 ALA 63 2HB ALA 63 20.856 -5.541 -20.403 510 HB3 ALA 63 3HB ALA 63 21.098 -5.994 -18.716 511 H ALA 64 H ALA 64 22.034 -2.483 -20.516 512 HA ALA 64 HA ALA 64 24.581 -3.147 -19.373 513 HB1 ALA 64 1HB ALA 64 23.763 -1.141 -21.465 514 HB2 ALA 64 2HB ALA 64 25.434 -1.419 -20.971 515 HB3 ALA 64 3HB ALA 64 24.506 -2.720 -21.717 516 H TYR 65 H TYR 65 22.195 -0.716 -18.845 517 HA TYR 65 HA TYR 65 24.083 0.926 -17.312 518 HB2 TYR 65 1HB TYR 65 21.279 1.482 -18.293 519 HB3 TYR 65 2HB TYR 65 22.182 2.573 -17.247 520 HD1 TYR 65 HD1 TYR 65 22.649 0.735 -20.473 521 HD2 TYR 65 HD2 TYR 65 23.312 4.307 -18.258 522 HE1 TYR 65 HE1 TYR 65 23.689 1.762 -22.451 523 HE2 TYR 65 HE2 TYR 65 24.352 5.344 -20.231 524 HH TYR 65 HH TYR 65 25.334 4.822 -22.283 525 H VAL 66 H VAL 66 21.375 -1.211 -16.995 526 HA VAL 66 HA VAL 66 21.357 -0.728 -14.086 527 HB VAL 66 HB VAL 66 19.026 -1.567 -14.071 528 HG11 VAL 66 1HG1 VAL 66 18.638 0.623 -14.031 529 HG12 VAL 66 2HG1 VAL 66 19.964 0.942 -15.151 530 HG13 VAL 66 3HG1 VAL 66 18.363 0.534 -15.770 531 HG21 VAL 66 3HG2 VAL 66 19.622 -2.458 -16.627 532 HG22 VAL 66 1HG2 VAL 66 18.036 -2.464 -15.855 533 HG23 VAL 66 2HG2 VAL 66 18.510 -1.114 -16.888 534 H LYS 67 H LYS 67 21.395 -2.487 -12.724 535 HA LYS 67 HA LYS 67 21.732 -5.124 -13.995 536 HB2 LYS 67 1HB LYS 67 23.917 -4.428 -13.324 537 HB3 LYS 67 2HB LYS 67 23.332 -3.882 -11.758 538 HG2 LYS 67 1HG LYS 67 22.898 -6.161 -11.083 539 HG3 LYS 67 2HG LYS 67 23.369 -6.749 -12.680 540 HD2 LYS 67 1HD LYS 67 25.307 -5.079 -11.157 541 HD3 LYS 67 2HD LYS 67 25.061 -6.752 -10.649 542 HE2 LYS 67 1HE LYS 67 25.571 -7.504 -12.930 543 HE3 LYS 67 2HE LYS 67 25.838 -5.830 -13.416 544 HZ1 LYS 67 3HZ LYS 67 27.543 -5.855 -11.495 545 HZ2 LYS 67 1HZ LYS 67 27.957 -6.567 -12.973 546 HZ3 LYS 67 2HZ LYS 67 27.482 -7.537 -11.671 547 H LYS 68 H LYS 68 20.447 -6.674 -13.235 548 HA LYS 68 HA LYS 68 18.466 -6.149 -11.298 549 HB2 LYS 68 1HB LYS 68 17.936 -8.559 -11.495 550 HB3 LYS 68 2HB LYS 68 18.083 -7.767 -13.058 551 HG2 LYS 68 1HG LYS 68 20.568 -8.629 -12.876 552 HG3 LYS 68 2HG LYS 68 19.828 -9.807 -11.789 553 HD2 LYS 68 1HD LYS 68 18.754 -9.248 -14.544 554 HD3 LYS 68 2HD LYS 68 19.998 -10.464 -14.238 555 HE2 LYS 68 1HE LYS 68 17.455 -10.478 -12.662 556 HE3 LYS 68 2HE LYS 68 17.492 -11.161 -14.287 557 HZ1 LYS 68 3HZ LYS 68 19.704 -12.164 -12.954 558 HZ2 LYS 68 1HZ LYS 68 18.306 -13.004 -13.402 559 HZ3 LYS 68 2HZ LYS 68 18.412 -12.295 -11.870 560 H LEU 69 H LEU 69 18.195 -6.922 -9.198 561 HA LEU 69 HA LEU 69 20.695 -7.711 -7.862 562 HB2 LEU 69 1HB LEU 69 18.337 -6.095 -6.993 563 HB3 LEU 69 2HB LEU 69 19.328 -6.918 -5.791 564 HG LEU 69 HG LEU 69 21.293 -5.660 -6.588 565 HD11 LEU 69 1HD1 LEU 69 20.615 -5.275 -8.883 566 HD12 LEU 69 2HD1 LEU 69 20.953 -3.741 -8.082 567 HD13 LEU 69 3HD1 LEU 69 19.285 -4.251 -8.341 568 HD21 LEU 69 3HD2 LEU 69 19.307 -3.537 -6.048 569 HD22 LEU 69 1HD2 LEU 69 20.840 -3.890 -5.252 570 HD23 LEU 69 2HD2 LEU 69 19.409 -4.848 -4.872 571 H ASP 70 H ASP 70 19.561 -9.800 -9.013 572 HA ASP 70 HA ASP 70 17.780 -11.098 -7.093 573 HB2 ASP 70 1HB ASP 70 17.077 -11.371 -9.356 574 HB3 ASP 70 2HB ASP 70 18.694 -11.845 -9.871 Start of MODEL 3 1 H1 MET 1 H MET 1 6.397 3.580 2.478 2 HA MET 1 HA MET 1 4.498 2.518 0.495 3 HB2 MET 1 1HB MET 1 7.047 4.053 -0.028 4 HB3 MET 1 2HB MET 1 6.139 3.198 -1.268 5 HG2 MET 1 1HG MET 1 4.828 5.286 0.424 6 HG3 MET 1 2HG MET 1 5.793 5.729 -0.983 7 HE1 MET 1 3HE MET 1 3.301 6.857 -2.281 8 HE2 MET 1 1HE MET 1 1.862 6.035 -1.678 9 HE3 MET 1 2HE MET 1 3.074 6.635 -0.545 10 H ASP 2 H ASP 2 4.708 0.395 1.115 11 HA ASP 2 HA ASP 2 7.397 -0.776 0.813 12 HB2 ASP 2 1HB ASP 2 5.145 -1.528 2.672 13 HB3 ASP 2 2HB ASP 2 6.470 -2.630 2.310 14 H GLU 3 H GLU 3 6.096 -0.461 -1.477 15 HA GLU 3 HA GLU 3 4.900 -3.092 -2.055 16 HB2 GLU 3 1HB GLU 3 4.399 -0.386 -3.278 17 HB3 GLU 3 2HB GLU 3 3.930 -1.874 -4.088 18 HG2 GLU 3 1HG GLU 3 3.027 -1.143 -1.317 19 HG3 GLU 3 2HG GLU 3 2.125 -0.739 -2.777 20 H THR 4 H THR 4 7.644 -2.879 -1.972 21 HA THR 4 HA THR 4 8.322 -3.589 -4.690 22 HB THR 4 HB THR 4 10.430 -2.074 -4.521 23 HG1 THR 4 HG1 THR 4 9.997 -1.297 -2.405 24 HG21 THR 4 3HG2 THR 4 8.512 -1.889 -6.153 25 HG22 THR 4 1HG2 THR 4 9.359 -0.382 -5.808 26 HG23 THR 4 2HG2 THR 4 7.797 -0.708 -5.057 27 H GLY 5 H GLY 5 9.392 -5.438 -4.491 28 HA2 GLY 5 1HA GLY 5 11.780 -5.738 -3.053 29 HA3 GLY 5 2HA GLY 5 10.474 -6.390 -2.073 30 H LYS 6 H LYS 6 8.941 -7.265 -4.418 31 HA LYS 6 HA LYS 6 9.785 -9.895 -4.598 32 HB2 LYS 6 1HB LYS 6 8.036 -10.217 -6.044 33 HB3 LYS 6 2HB LYS 6 7.561 -8.673 -5.348 34 HG2 LYS 6 1HG LYS 6 9.089 -8.947 -7.925 35 HG3 LYS 6 2HG LYS 6 7.331 -8.819 -7.824 36 HD2 LYS 6 1HD LYS 6 8.963 -6.768 -6.421 37 HD3 LYS 6 2HD LYS 6 8.876 -6.693 -8.182 38 HE2 LYS 6 1HE LYS 6 6.511 -6.753 -6.310 39 HE3 LYS 6 2HE LYS 6 7.150 -5.314 -7.104 40 HZ1 LYS 6 3HZ LYS 6 6.774 -6.937 -9.190 41 HZ2 LYS 6 1HZ LYS 6 5.621 -5.826 -8.644 42 HZ3 LYS 6 2HZ LYS 6 5.517 -7.450 -8.182 43 H GLU 7 H GLU 7 10.854 -7.108 -6.362 44 HA GLU 7 HA GLU 7 13.179 -8.310 -7.318 45 HB2 GLU 7 1HB GLU 7 10.994 -9.136 -8.817 46 HB3 GLU 7 2HB GLU 7 11.689 -7.837 -9.776 47 HG2 GLU 7 1HG GLU 7 13.493 -9.037 -10.332 48 HG3 GLU 7 2HG GLU 7 13.643 -9.748 -8.726 49 H LEU 8 H LEU 8 14.524 -6.653 -7.483 50 HA LEU 8 HA LEU 8 13.606 -4.177 -8.753 51 HB2 LEU 8 1HB LEU 8 14.669 -4.505 -5.991 52 HB3 LEU 8 2HB LEU 8 15.100 -3.054 -6.895 53 HG LEU 8 HG LEU 8 12.221 -3.757 -6.742 54 HD11 LEU 8 1HD1 LEU 8 13.179 -2.177 -4.467 55 HD12 LEU 8 2HD1 LEU 8 13.610 -3.886 -4.412 56 HD13 LEU 8 3HD1 LEU 8 11.918 -3.407 -4.550 57 HD21 LEU 8 3HD2 LEU 8 13.730 -1.615 -7.641 58 HD22 LEU 8 1HD2 LEU 8 13.054 -1.054 -6.112 59 HD23 LEU 8 2HD2 LEU 8 11.984 -1.639 -7.387 60 H VAL 9 H VAL 9 15.300 -2.857 -9.599 61 HA VAL 9 HA VAL 9 17.902 -4.216 -9.835 62 HB VAL 9 HB VAL 9 18.074 -3.584 -12.157 63 HG11 VAL 9 1HG1 VAL 9 16.415 -5.536 -11.184 64 HG12 VAL 9 2HG1 VAL 9 15.382 -4.698 -12.344 65 HG13 VAL 9 3HG1 VAL 9 16.928 -5.371 -12.862 66 HG21 VAL 9 3HG2 VAL 9 16.974 -1.795 -12.889 67 HG22 VAL 9 1HG2 VAL 9 15.500 -2.764 -12.886 68 HG23 VAL 9 2HG2 VAL 9 15.924 -1.799 -11.472 69 H LEU 10 H LEU 10 19.720 -2.892 -10.010 70 HA LEU 10 HA LEU 10 19.284 -0.135 -9.112 71 HB2 LEU 10 1HB LEU 10 20.686 -1.255 -7.612 72 HB3 LEU 10 2HB LEU 10 21.589 -2.040 -8.906 73 HG LEU 10 HG LEU 10 22.593 0.148 -9.480 74 HD11 LEU 10 1HD1 LEU 10 22.202 1.627 -7.157 75 HD12 LEU 10 2HD1 LEU 10 20.592 1.079 -7.622 76 HD13 LEU 10 3HD1 LEU 10 21.577 1.989 -8.767 77 HD21 LEU 10 3HD2 LEU 10 22.926 -0.910 -6.683 78 HD22 LEU 10 1HD2 LEU 10 23.975 0.329 -7.374 79 HD23 LEU 10 2HD2 LEU 10 23.898 -1.272 -8.110 80 H ALA 11 H ALA 11 20.115 1.613 -10.187 81 HA ALA 11 HA ALA 11 20.909 1.135 -12.955 82 HB1 ALA 11 1HB ALA 11 20.729 3.804 -12.823 83 HB2 ALA 11 2HB ALA 11 19.337 2.755 -13.095 84 HB3 ALA 11 3HB ALA 11 19.672 3.374 -11.478 85 H LEU 12 H LEU 12 23.032 0.793 -13.197 86 HA LEU 12 HA LEU 12 25.025 1.860 -11.481 87 HB2 LEU 12 1HB LEU 12 25.451 0.805 -14.265 88 HB3 LEU 12 2HB LEU 12 26.611 0.853 -12.940 89 HG LEU 12 HG LEU 12 24.122 -0.844 -12.902 90 HD11 LEU 12 1HD1 LEU 12 25.228 -1.851 -14.637 91 HD12 LEU 12 2HD1 LEU 12 25.967 -2.671 -13.262 92 HD13 LEU 12 3HD1 LEU 12 26.818 -1.350 -14.061 93 HD21 LEU 12 3HD2 LEU 12 26.500 -0.491 -11.140 94 HD22 LEU 12 1HD2 LEU 12 25.744 -2.080 -11.255 95 HD23 LEU 12 2HD2 LEU 12 24.799 -0.692 -10.715 96 H TYR 13 H TYR 13 24.147 2.604 -14.854 97 HA TYR 13 HA TYR 13 25.593 5.152 -14.585 98 HB2 TYR 13 1HB TYR 13 24.752 3.707 -17.106 99 HB3 TYR 13 2HB TYR 13 25.693 5.193 -17.030 100 HD1 TYR 13 HD2 TYR 13 25.754 1.585 -16.176 101 HD2 TYR 13 HD1 TYR 13 28.035 5.129 -16.762 102 HE1 TYR 13 HE2 TYR 13 27.824 0.260 -16.088 103 HE2 TYR 13 HE1 TYR 13 30.112 3.813 -16.676 104 HH TYR 13 HH TYR 13 30.923 1.639 -16.872 105 H ASP 14 H ASP 14 24.506 6.652 -16.532 106 HA ASP 14 HA ASP 14 21.772 7.074 -15.552 107 HB2 ASP 14 1HB ASP 14 22.075 9.364 -16.609 108 HB3 ASP 14 2HB ASP 14 23.101 9.015 -15.220 109 H TYR 15 H TYR 15 20.155 7.847 -17.111 110 HA TYR 15 HA TYR 15 20.624 7.020 -19.878 111 HB2 TYR 15 1HB TYR 15 19.523 5.189 -18.339 112 HB3 TYR 15 2HB TYR 15 18.072 6.158 -18.573 113 HD1 TYR 15 HD2 TYR 15 20.866 5.040 -20.801 114 HD2 TYR 15 HD1 TYR 15 16.667 5.232 -20.142 115 HE1 TYR 15 HE2 TYR 15 20.482 3.933 -22.963 116 HE2 TYR 15 HE1 TYR 15 16.271 4.124 -22.302 117 HH TYR 15 HH TYR 15 18.374 3.937 -24.685 118 H GLN 16 H GLN 16 18.550 7.535 -21.209 119 HA GLN 16 HA GLN 16 17.040 9.799 -20.222 120 HB2 GLN 16 1HB GLN 16 19.419 10.220 -21.700 121 HB3 GLN 16 2HB GLN 16 18.077 10.595 -22.772 122 HG2 GLN 16 1HG GLN 16 18.085 12.606 -21.835 123 HG3 GLN 16 2HG GLN 16 17.348 11.829 -20.434 124 HE21 GLN 16 2HE2 GLN 16 18.275 12.393 -18.614 125 HE22 GLN 16 1HE2 GLN 16 19.955 12.720 -18.377 126 H GLU 17 H GLU 17 15.158 8.700 -20.597 127 HA GLU 17 HA GLU 17 14.503 7.091 -22.737 128 HB2 GLU 17 1HB GLU 17 12.147 7.604 -22.222 129 HB3 GLU 17 2HB GLU 17 13.085 7.267 -20.774 130 HG2 GLU 17 1HG GLU 17 11.913 9.091 -20.085 131 HG3 GLU 17 2HG GLU 17 13.358 9.873 -20.723 132 H LYS 18 H LYS 18 13.427 7.410 -24.700 133 HA LYS 18 HA LYS 18 13.285 10.174 -25.683 134 HB2 LYS 18 1HB LYS 18 14.554 9.774 -27.566 135 HB3 LYS 18 2HB LYS 18 15.390 8.772 -26.387 136 HG2 LYS 18 1HG LYS 18 13.388 7.840 -28.434 137 HG3 LYS 18 2HG LYS 18 15.133 7.570 -28.459 138 HD2 LYS 18 1HD LYS 18 13.207 6.531 -26.380 139 HD3 LYS 18 2HD LYS 18 13.942 5.585 -27.676 140 HE2 LYS 18 1HE LYS 18 15.439 6.997 -25.470 141 HE3 LYS 18 2HE LYS 18 15.087 5.270 -25.523 142 HZ1 LYS 18 3HZ LYS 18 16.916 6.830 -27.234 143 HZ2 LYS 18 1HZ LYS 18 16.305 5.341 -27.754 144 HZ3 LYS 18 2HZ LYS 18 17.234 5.428 -26.344 145 H SER 19 H SER 19 11.564 7.586 -24.971 146 HA SER 19 HA SER 19 9.623 8.098 -27.106 147 HB2 SER 19 1HB SER 19 9.539 5.967 -27.858 148 HB3 SER 19 2HB SER 19 11.132 5.808 -27.120 149 HG SER 19 HG SER 19 9.969 4.181 -26.255 150 HA PRO 20 HA PRO 20 6.610 8.195 -23.920 151 HB2 PRO 20 1HB PRO 20 4.457 7.055 -25.118 152 HB3 PRO 20 2HB PRO 20 5.050 8.665 -25.541 153 HG2 PRO 20 1HG PRO 20 5.512 6.053 -26.927 154 HG3 PRO 20 2HG PRO 20 5.141 7.640 -27.626 155 HD2 PRO 20 1HD PRO 20 7.652 6.627 -27.560 156 HD3 PRO 20 2HD PRO 20 7.321 8.367 -27.446 157 H ARG 21 H ARG 21 7.346 5.113 -25.384 158 HA ARG 21 HA ARG 21 6.179 3.705 -23.085 159 HB2 ARG 21 1HB ARG 21 6.370 1.673 -24.445 160 HB3 ARG 21 2HB ARG 21 5.436 2.912 -25.273 161 HG2 ARG 21 1HG ARG 21 8.326 2.858 -25.856 162 HG3 ARG 21 2HG ARG 21 7.377 1.491 -26.444 163 HD2 ARG 21 1HD ARG 21 5.773 3.510 -27.189 164 HD3 ARG 21 2HD ARG 21 7.332 4.332 -27.256 165 HE ARG 21 HE ARG 21 7.495 1.845 -28.580 166 HH11 ARG 21 1HH1 ARG 21 6.143 5.033 -28.936 167 HH12 ARG 21 2HH1 ARG 21 6.170 4.993 -30.668 168 HH21 ARG 21 1HH2 ARG 21 7.536 1.780 -30.860 169 HH22 ARG 21 2HH2 ARG 21 6.961 3.142 -31.761 170 H GLU 22 H GLU 22 8.684 5.200 -22.971 171 HA GLU 22 HA GLU 22 10.444 2.983 -22.179 172 HB2 GLU 22 1HB GLU 22 11.123 4.128 -24.366 173 HB3 GLU 22 2HB GLU 22 11.504 5.533 -23.382 174 HG2 GLU 22 1HG GLU 22 13.340 4.572 -22.461 175 HG3 GLU 22 2HG GLU 22 12.672 2.943 -22.556 176 H VAL 23 H VAL 23 12.084 3.618 -20.575 177 HA VAL 23 HA VAL 23 11.209 5.897 -18.924 178 HB VAL 23 HB VAL 23 11.950 4.500 -16.932 179 HG11 VAL 23 1HG1 VAL 23 9.768 3.056 -17.123 180 HG12 VAL 23 2HG1 VAL 23 9.676 4.814 -16.998 181 HG13 VAL 23 3HG1 VAL 23 9.504 4.030 -18.569 182 HG21 VAL 23 3HG2 VAL 23 11.450 2.125 -18.684 183 HG22 VAL 23 1HG2 VAL 23 13.069 2.808 -18.539 184 HG23 VAL 23 2HG2 VAL 23 12.236 2.203 -17.108 185 H THR 24 H THR 24 13.020 6.134 -17.072 186 HA THR 24 HA THR 24 15.686 5.900 -18.256 187 HB THR 24 HB THR 24 14.644 8.180 -18.794 188 HG1 THR 24 HG1 THR 24 16.988 8.536 -17.289 189 HG21 THR 24 3HG2 THR 24 14.223 9.707 -17.162 190 HG22 THR 24 1HG2 THR 24 15.467 9.067 -16.089 191 HG23 THR 24 2HG2 THR 24 13.910 8.249 -16.220 192 H MET 25 H MET 25 17.393 6.629 -16.636 193 HA MET 25 HA MET 25 16.668 6.565 -13.856 194 HB2 MET 25 1HB MET 25 18.209 4.521 -13.480 195 HB3 MET 25 2HB MET 25 16.559 4.243 -14.020 196 HG2 MET 25 1HG MET 25 17.863 2.816 -15.321 197 HG3 MET 25 2HG MET 25 17.504 4.182 -16.375 198 HE1 MET 25 3HE MET 25 20.587 3.435 -17.911 199 HE2 MET 25 1HE MET 25 20.760 2.151 -16.714 200 HE3 MET 25 2HE MET 25 19.176 2.505 -17.404 201 H LYS 26 H LYS 26 18.608 6.695 -12.442 202 HA LYS 26 HA LYS 26 20.930 7.819 -13.860 203 HB2 LYS 26 1HB LYS 26 19.359 9.528 -12.769 204 HB3 LYS 26 2HB LYS 26 19.929 8.895 -11.231 205 HG2 LYS 26 1HG LYS 26 22.157 9.589 -11.676 206 HG3 LYS 26 2HG LYS 26 21.763 9.982 -13.351 207 HD2 LYS 26 1HD LYS 26 20.410 11.826 -12.680 208 HD3 LYS 26 2HD LYS 26 20.491 11.345 -10.984 209 HE2 LYS 26 1HE LYS 26 23.018 11.932 -12.458 210 HE3 LYS 26 2HE LYS 26 22.012 13.272 -11.911 211 HZ1 LYS 26 3HZ LYS 26 22.084 12.133 -9.660 212 HZ2 LYS 26 1HZ LYS 26 23.505 12.890 -10.180 213 HZ3 LYS 26 2HZ LYS 26 23.359 11.208 -10.279 214 H LYS 27 H LYS 27 22.936 7.775 -12.631 215 HA LYS 27 HA LYS 27 23.562 5.300 -11.584 216 HB2 LYS 27 1HB LYS 27 24.958 7.873 -10.842 217 HB3 LYS 27 2HB LYS 27 25.648 6.255 -10.857 218 HG2 LYS 27 1HG LYS 27 26.409 6.762 -12.883 219 HG3 LYS 27 2HG LYS 27 24.744 6.563 -13.435 220 HD2 LYS 27 1HD LYS 27 25.061 8.667 -14.208 221 HD3 LYS 27 2HD LYS 27 24.627 9.097 -12.552 222 HE2 LYS 27 1HE LYS 27 27.481 8.519 -13.158 223 HE3 LYS 27 2HE LYS 27 26.805 10.048 -13.718 224 HZ1 LYS 27 3HZ LYS 27 25.964 10.210 -11.290 225 HZ2 LYS 27 1HZ LYS 27 27.575 10.589 -11.638 226 HZ3 LYS 27 2HZ LYS 27 27.187 9.087 -10.965 227 H GLY 28 H GLY 28 22.548 4.390 -9.901 228 HA2 GLY 28 1HA GLY 28 22.606 4.159 -7.490 229 HA3 GLY 28 2HA GLY 28 22.507 5.910 -7.373 230 H ASP 29 H ASP 29 20.488 4.669 -9.778 231 HA ASP 29 HA ASP 29 18.151 5.217 -8.128 232 HB2 ASP 29 1HB ASP 29 18.694 5.057 -11.054 233 HB3 ASP 29 2HB ASP 29 17.055 4.720 -10.503 234 H ILE 30 H ILE 30 16.288 3.779 -8.179 235 HA ILE 30 HA ILE 30 16.952 0.965 -8.696 236 HB ILE 30 HB ILE 30 15.536 1.891 -6.197 237 HG12 ILE 30 1HG1 ILE 30 18.378 0.905 -6.528 238 HG13 ILE 30 2HG1 ILE 30 17.908 2.564 -6.174 239 HG21 ILE 30 1HG2 ILE 30 16.645 -0.718 -6.012 240 HG22 ILE 30 2HG2 ILE 30 14.951 -0.233 -5.952 241 HG23 ILE 30 3HG2 ILE 30 15.704 -0.618 -7.500 242 HD11 ILE 30 3HD1 ILE 30 16.703 0.866 -4.246 243 HD12 ILE 30 1HD1 ILE 30 18.413 0.452 -4.371 244 HD13 ILE 30 2HD1 ILE 30 17.930 2.111 -4.015 245 H LEU 31 H LEU 31 15.391 -0.128 -9.716 246 HA LEU 31 HA LEU 31 12.653 0.939 -9.663 247 HB2 LEU 31 1HB LEU 31 14.098 -0.051 -12.116 248 HB3 LEU 31 2HB LEU 31 12.419 0.479 -12.046 249 HG LEU 31 HG LEU 31 13.698 2.690 -11.127 250 HD11 LEU 31 1HD1 LEU 31 15.813 1.218 -11.935 251 HD12 LEU 31 2HD1 LEU 31 15.773 2.981 -11.940 252 HD13 LEU 31 3HD1 LEU 31 15.433 2.088 -13.422 253 HD21 LEU 31 3HD2 LEU 31 12.379 1.822 -13.529 254 HD22 LEU 31 1HD2 LEU 31 13.656 2.976 -13.910 255 HD23 LEU 31 2HD2 LEU 31 12.386 3.413 -12.766 256 H THR 32 H THR 32 11.007 -0.573 -9.799 257 HA THR 32 HA THR 32 11.686 -3.218 -8.923 258 HB THR 32 HB THR 32 8.915 -2.564 -9.809 259 HG1 THR 32 HG1 THR 32 8.852 -0.857 -8.572 260 HG21 THR 32 3HG2 THR 32 8.284 -3.916 -7.971 261 HG22 THR 32 1HG2 THR 32 9.884 -3.802 -7.240 262 HG23 THR 32 2HG2 THR 32 9.654 -4.736 -8.718 263 H LEU 33 H LEU 33 12.272 -4.809 -10.233 264 HA LEU 33 HA LEU 33 11.963 -4.710 -13.050 265 HB2 LEU 33 1HB LEU 33 13.724 -5.940 -11.632 266 HB3 LEU 33 2HB LEU 33 12.516 -7.217 -11.499 267 HG LEU 33 HG LEU 33 14.228 -7.615 -13.254 268 HD11 LEU 33 1HD1 LEU 33 11.799 -7.344 -14.859 269 HD12 LEU 33 2HD1 LEU 33 11.550 -8.130 -13.300 270 HD13 LEU 33 3HD1 LEU 33 12.731 -8.781 -14.437 271 HD21 LEU 33 3HD2 LEU 33 14.093 -5.029 -13.843 272 HD22 LEU 33 1HD2 LEU 33 12.914 -5.622 -15.015 273 HD23 LEU 33 2HD2 LEU 33 14.566 -6.241 -15.035 274 H LEU 34 H LEU 34 10.428 -5.507 -14.359 275 HA LEU 34 HA LEU 34 8.178 -6.923 -13.097 276 HB2 LEU 34 1HB LEU 34 8.378 -4.887 -15.232 277 HB3 LEU 34 2HB LEU 34 7.154 -6.137 -15.446 278 HG LEU 34 HG LEU 34 6.183 -4.160 -14.439 279 HD11 LEU 34 1HD1 LEU 34 5.999 -5.639 -12.017 280 HD12 LEU 34 2HD1 LEU 34 6.077 -6.775 -13.364 281 HD13 LEU 34 3HD1 LEU 34 4.833 -5.525 -13.336 282 HD21 LEU 34 3HD2 LEU 34 8.048 -3.140 -13.378 283 HD22 LEU 34 1HD2 LEU 34 8.313 -4.547 -12.346 284 HD23 LEU 34 2HD2 LEU 34 6.888 -3.535 -12.109 285 H ASN 35 H ASN 35 10.025 -6.761 -16.137 286 HA ASN 35 HA ASN 35 9.705 -9.663 -16.399 287 HB2 ASN 35 1HB ASN 35 8.370 -7.771 -18.023 288 HB3 ASN 35 2HB ASN 35 9.656 -8.461 -19.010 289 HD21 ASN 35 2HD2 ASN 35 8.320 -9.614 -20.337 290 HD22 ASN 35 1HD2 ASN 35 7.406 -10.980 -19.807 291 H SER 36 H SER 36 11.643 -10.557 -16.550 292 HA SER 36 HA SER 36 13.807 -9.021 -17.833 293 HB2 SER 36 1HB SER 36 15.331 -10.445 -16.346 294 HB3 SER 36 2HB SER 36 14.391 -9.187 -15.543 295 HG SER 36 HG SER 36 14.446 -11.668 -14.875 296 H THR 37 H THR 37 11.978 -10.769 -19.186 297 HA THR 37 HA THR 37 13.022 -13.345 -19.607 298 HB THR 37 HB THR 37 10.768 -12.795 -20.319 299 HG1 THR 37 HG1 THR 37 11.816 -14.448 -21.489 300 HG21 THR 37 3HG2 THR 37 10.311 -11.337 -22.194 301 HG22 THR 37 1HG2 THR 37 12.033 -11.042 -22.428 302 HG23 THR 37 2HG2 THR 37 11.225 -10.447 -20.977 303 H ASN 38 H ASN 38 13.750 -10.237 -21.086 304 HA ASN 38 HA ASN 38 15.565 -11.457 -23.004 305 HB2 ASN 38 1HB ASN 38 13.993 -9.295 -23.237 306 HB3 ASN 38 2HB ASN 38 15.462 -8.505 -22.669 307 HD21 ASN 38 2HD2 ASN 38 14.264 -10.774 -25.097 308 HD22 ASN 38 1HD2 ASN 38 15.386 -10.321 -26.330 309 H LYS 39 H LYS 39 17.743 -10.229 -23.250 310 HA LYS 39 HA LYS 39 18.961 -10.013 -20.575 311 HB2 LYS 39 1HB LYS 39 21.058 -10.807 -21.624 312 HB3 LYS 39 2HB LYS 39 19.760 -11.989 -21.725 313 HG2 LYS 39 1HG LYS 39 19.326 -11.177 -24.055 314 HG3 LYS 39 2HG LYS 39 20.801 -10.217 -23.919 315 HD2 LYS 39 1HD LYS 39 21.558 -12.152 -24.944 316 HD3 LYS 39 2HD LYS 39 21.902 -12.466 -23.241 317 HE2 LYS 39 1HE LYS 39 20.910 -14.442 -23.953 318 HE3 LYS 39 2HE LYS 39 19.572 -13.571 -23.206 319 HZ1 LYS 39 3HZ LYS 39 19.773 -12.894 -25.945 320 HZ2 LYS 39 1HZ LYS 39 18.478 -13.598 -25.115 321 HZ3 LYS 39 2HZ LYS 39 19.689 -14.575 -25.778 322 H ASP 40 H ASP 40 18.561 -8.573 -23.696 323 HA ASP 40 HA ASP 40 20.669 -6.642 -23.396 324 HB2 ASP 40 1HB ASP 40 18.345 -6.786 -25.327 325 HB3 ASP 40 2HB ASP 40 19.636 -5.591 -25.410 326 H TRP 41 H TRP 41 17.114 -6.508 -23.265 327 HA TRP 41 HA TRP 41 17.360 -4.141 -21.538 328 HB2 TRP 41 1HB TRP 41 15.245 -4.458 -23.674 329 HB3 TRP 41 2HB TRP 41 15.520 -3.052 -22.649 330 HD1 TRP 41 HD1 TRP 41 17.239 -4.980 -25.527 331 HE1 TRP 41 HE1 TRP 41 18.722 -3.322 -26.823 332 HE3 TRP 41 HE3 TRP 41 16.641 -0.862 -22.557 333 HZ2 TRP 41 HZ2 TRP 41 19.531 -0.626 -26.614 334 HZ3 TRP 41 HZ3 TRP 41 17.803 1.217 -23.174 335 HH2 TRP 41 HH2 TRP 41 19.219 1.330 -25.161 336 H TRP 42 H TRP 42 15.820 -3.938 -19.919 337 HA TRP 42 HA TRP 42 14.028 -6.254 -19.577 338 HB2 TRP 42 1HB TRP 42 15.478 -4.739 -17.395 339 HB3 TRP 42 2HB TRP 42 14.399 -6.111 -17.163 340 HD1 TRP 42 HD1 TRP 42 15.713 -7.784 -19.693 341 HE1 TRP 42 HE1 TRP 42 17.963 -8.961 -19.274 342 HE3 TRP 42 HE3 TRP 42 17.275 -5.121 -15.619 343 HZ2 TRP 42 HZ2 TRP 42 20.115 -8.785 -17.456 344 HZ3 TRP 42 HZ3 TRP 42 19.441 -5.689 -14.598 345 HH2 TRP 42 HH2 TRP 42 20.830 -7.483 -15.499 346 H LYS 43 H LYS 43 12.081 -5.860 -18.355 347 HA LYS 43 HA LYS 43 11.067 -3.151 -18.803 348 HB2 LYS 43 1HB LYS 43 9.782 -5.011 -19.758 349 HB3 LYS 43 2HB LYS 43 9.602 -5.717 -18.157 350 HG2 LYS 43 1HG LYS 43 7.619 -4.658 -18.234 351 HG3 LYS 43 2HG LYS 43 8.581 -3.285 -17.683 352 HD2 LYS 43 1HD LYS 43 7.735 -2.215 -19.461 353 HD3 LYS 43 2HD LYS 43 8.890 -3.162 -20.402 354 HE2 LYS 43 1HE LYS 43 6.002 -3.835 -19.857 355 HE3 LYS 43 2HE LYS 43 6.706 -3.353 -21.400 356 HZ1 LYS 43 3HZ LYS 43 8.153 -5.405 -21.139 357 HZ2 LYS 43 1HZ LYS 43 6.523 -5.661 -21.513 358 HZ3 LYS 43 2HZ LYS 43 7.074 -5.891 -19.930 359 H VAL 44 H VAL 44 11.169 -1.791 -17.150 360 HA VAL 44 HA VAL 44 10.725 -2.846 -14.432 361 HB VAL 44 HB VAL 44 12.130 -1.045 -13.566 362 HG11 VAL 44 1HG1 VAL 44 13.356 -2.995 -13.835 363 HG12 VAL 44 2HG1 VAL 44 13.278 -2.921 -15.597 364 HG13 VAL 44 3HG1 VAL 44 14.321 -1.808 -14.711 365 HG21 VAL 44 3HG2 VAL 44 13.546 0.230 -15.230 366 HG22 VAL 44 1HG2 VAL 44 12.426 -0.326 -16.473 367 HG23 VAL 44 2HG2 VAL 44 11.845 0.689 -15.153 368 H GLU 45 H GLU 45 9.521 -1.569 -12.986 369 HA GLU 45 HA GLU 45 7.772 0.386 -14.314 370 HB2 GLU 45 1HB GLU 45 6.620 -1.579 -13.409 371 HB3 GLU 45 2HB GLU 45 7.295 -1.252 -11.818 372 HG2 GLU 45 1HG GLU 45 6.111 1.008 -11.985 373 HG3 GLU 45 2HG GLU 45 5.215 0.290 -13.323 374 H VAL 46 H VAL 46 7.973 2.453 -13.787 375 HA VAL 46 HA VAL 46 9.569 3.174 -11.446 376 HB VAL 46 HB VAL 46 8.519 5.105 -13.499 377 HG11 VAL 46 1HG1 VAL 46 9.425 6.235 -11.654 378 HG12 VAL 46 2HG1 VAL 46 10.769 5.100 -11.509 379 HG13 VAL 46 3HG1 VAL 46 10.714 6.237 -12.857 380 HG21 VAL 46 3HG2 VAL 46 9.672 3.957 -15.044 381 HG22 VAL 46 1HG2 VAL 46 11.098 4.638 -14.260 382 HG23 VAL 46 2HG2 VAL 46 10.546 3.018 -13.834 383 H LYS 47 H LYS 47 8.873 4.964 -10.078 384 HA LYS 47 HA LYS 47 5.945 5.007 -9.755 385 HB2 LYS 47 1HB LYS 47 8.185 4.836 -7.809 386 HB3 LYS 47 2HB LYS 47 6.782 5.784 -7.332 387 HG2 LYS 47 1HG LYS 47 6.270 3.091 -8.446 388 HG3 LYS 47 2HG LYS 47 6.998 3.181 -6.841 389 HD2 LYS 47 1HD LYS 47 4.587 4.826 -7.514 390 HD3 LYS 47 2HD LYS 47 4.416 3.130 -7.058 391 HE2 LYS 47 1HE LYS 47 4.262 4.053 -4.989 392 HE3 LYS 47 2HE LYS 47 6.017 3.914 -5.083 393 HZ1 LYS 47 3HZ LYS 47 4.570 6.207 -4.640 394 HZ2 LYS 47 1HZ LYS 47 5.118 6.352 -6.234 395 HZ3 LYS 47 2HZ LYS 47 6.224 6.106 -4.978 396 H ALA 48 H ALA 48 4.901 6.936 -9.512 397 HA ALA 48 HA ALA 48 6.475 9.390 -9.315 398 HB1 ALA 48 1HB ALA 48 5.062 8.488 -11.717 399 HB2 ALA 48 2HB ALA 48 4.681 10.138 -11.220 400 HB3 ALA 48 3HB ALA 48 6.353 9.676 -11.535 401 H THR 49 H THR 49 5.148 11.290 -8.852 402 HA THR 49 HA THR 49 2.502 10.650 -7.743 403 HB THR 49 HB THR 49 4.472 12.425 -6.303 404 HG1 THR 49 HG1 THR 49 5.382 10.488 -5.981 405 HG21 THR 49 3HG2 THR 49 2.256 12.943 -5.659 406 HG22 THR 49 1HG2 THR 49 2.884 11.891 -4.391 407 HG23 THR 49 2HG2 THR 49 1.790 11.243 -5.614 408 H ALA 50 H ALA 50 0.963 12.089 -8.238 409 HA ALA 50 HA ALA 50 1.592 14.859 -8.767 410 HB1 ALA 50 1HB ALA 50 0.433 14.741 -11.033 411 HB2 ALA 50 2HB ALA 50 2.082 14.122 -10.939 412 HB3 ALA 50 3HB ALA 50 0.720 13.002 -10.959 413 H ASN 51 H ASN 51 -0.150 16.199 -8.495 414 HA ASN 51 HA ASN 51 -2.176 16.863 -7.700 415 HB2 ASN 51 1HB ASN 51 -3.427 14.471 -9.016 416 HB3 ASN 51 2HB ASN 51 -4.055 16.110 -8.870 417 HD21 ASN 51 2HD2 ASN 51 -2.391 13.912 -10.812 418 HD22 ASN 51 1HD2 ASN 51 -1.928 14.998 -12.074 419 H GLY 52 H GLY 52 -0.628 15.140 -6.017 420 HA2 GLY 52 1HA GLY 52 -0.875 14.121 -3.972 421 HA3 GLY 52 2HA GLY 52 -2.586 14.515 -4.062 422 H LYS 53 H LYS 53 -1.179 12.675 -6.625 423 HA LYS 53 HA LYS 53 -2.286 10.197 -5.487 424 HB2 LYS 53 1HB LYS 53 -3.610 11.501 -7.403 425 HB3 LYS 53 2HB LYS 53 -2.476 10.629 -8.426 426 HG2 LYS 53 1HG LYS 53 -4.321 9.230 -8.342 427 HG3 LYS 53 2HG LYS 53 -3.233 8.541 -7.135 428 HD2 LYS 53 1HD LYS 53 -4.617 10.288 -5.607 429 HD3 LYS 53 2HD LYS 53 -5.846 9.865 -6.801 430 HE2 LYS 53 1HE LYS 53 -4.969 7.416 -6.267 431 HE3 LYS 53 2HE LYS 53 -4.527 8.180 -4.741 432 HZ1 LYS 53 3HZ LYS 53 -6.745 8.722 -4.296 433 HZ2 LYS 53 1HZ LYS 53 -6.810 7.136 -4.881 434 HZ3 LYS 53 2HZ LYS 53 -7.244 8.425 -5.885 435 H THR 54 H THR 54 -1.182 8.322 -5.940 436 HA THR 54 HA THR 54 1.454 8.688 -7.188 437 HB THR 54 HB THR 54 1.742 6.308 -6.021 438 HG1 THR 54 HG1 THR 54 0.571 6.324 -4.033 439 HG21 THR 54 3HG2 THR 54 2.328 7.742 -3.871 440 HG22 THR 54 1HG2 THR 54 2.061 9.081 -4.987 441 HG23 THR 54 2HG2 THR 54 3.284 7.862 -5.348 442 H TYR 55 H TYR 55 1.852 7.790 -9.096 443 HA TYR 55 HA TYR 55 0.266 5.453 -9.920 444 HB2 TYR 55 1HB TYR 55 -0.034 6.326 -12.118 445 HB3 TYR 55 2HB TYR 55 -0.509 7.602 -11.003 446 HD1 TYR 55 HD2 TYR 55 2.003 6.524 -13.447 447 HD2 TYR 55 HD1 TYR 55 0.791 9.635 -10.810 448 HE1 TYR 55 HE2 TYR 55 3.573 8.063 -14.550 449 HE2 TYR 55 HE1 TYR 55 2.357 11.183 -11.906 450 HH TYR 55 HH TYR 55 3.528 10.939 -14.701 451 H GLU 56 H GLU 56 1.305 3.976 -11.291 452 HA GLU 56 HA GLU 56 4.232 4.297 -11.423 453 HB2 GLU 56 1HB GLU 56 2.776 1.659 -11.392 454 HB3 GLU 56 2HB GLU 56 4.488 1.956 -11.122 455 HG2 GLU 56 1HG GLU 56 3.620 3.356 -9.093 456 HG3 GLU 56 2HG GLU 56 2.182 2.354 -9.283 457 H ARG 57 H ARG 57 5.288 3.836 -13.313 458 HA ARG 57 HA ARG 57 3.599 3.152 -15.629 459 HB2 ARG 57 1HB ARG 57 5.208 4.581 -16.967 460 HB3 ARG 57 2HB ARG 57 4.126 5.448 -15.886 461 HG2 ARG 57 1HG ARG 57 5.835 5.937 -14.374 462 HG3 ARG 57 2HG ARG 57 6.901 4.700 -15.043 463 HD2 ARG 57 1HD ARG 57 7.571 6.996 -15.667 464 HD3 ARG 57 2HD ARG 57 7.198 5.983 -17.061 465 HE ARG 57 HE ARG 57 4.857 7.273 -16.506 466 HH11 ARG 57 1HH1 ARG 57 8.123 8.273 -17.178 467 HH12 ARG 57 2HH1 ARG 57 7.652 9.768 -17.917 468 HH21 ARG 57 1HH2 ARG 57 4.224 9.238 -17.476 469 HH22 ARG 57 2HH2 ARG 57 5.434 10.316 -18.085 470 H GLN 58 H GLN 58 4.327 1.595 -16.974 471 HA GLN 58 HA GLN 58 6.768 0.202 -16.184 472 HB2 GLN 58 1HB GLN 58 4.442 -0.563 -17.944 473 HB3 GLN 58 2HB GLN 58 5.897 -1.543 -17.820 474 HG2 GLN 58 1HG GLN 58 5.519 -1.954 -15.509 475 HG3 GLN 58 2HG GLN 58 4.212 -0.772 -15.454 476 HE21 GLN 58 2HE2 GLN 58 5.169 -3.771 -17.075 477 HE22 GLN 58 1HE2 GLN 58 3.578 -4.439 -17.159 478 H GLY 59 H GLY 59 8.586 0.186 -17.359 479 HA2 GLY 59 1HA GLY 59 8.482 0.958 -20.182 480 HA3 GLY 59 2HA GLY 59 9.469 1.937 -19.107 481 H PHE 60 H PHE 60 10.883 0.986 -21.037 482 HA PHE 60 HA PHE 60 12.130 -1.497 -20.061 483 HB2 PHE 60 1HB PHE 60 12.063 -0.302 -22.836 484 HB3 PHE 60 2HB PHE 60 13.067 -1.677 -22.389 485 HD1 PHE 60 HD2 PHE 60 9.593 -0.506 -22.771 486 HD2 PHE 60 HD1 PHE 60 12.161 -3.853 -22.202 487 HE1 PHE 60 HE2 PHE 60 7.713 -2.023 -23.234 488 HE2 PHE 60 HE1 PHE 60 10.284 -5.375 -22.665 489 HZ PHE 60 HZ PHE 60 8.056 -4.461 -23.180 490 H VAL 61 H VAL 61 14.310 -1.567 -19.686 491 HA VAL 61 HA VAL 61 15.843 0.905 -20.123 492 HB VAL 61 HB VAL 61 16.965 0.490 -17.905 493 HG11 VAL 61 1HG1 VAL 61 15.013 2.120 -18.450 494 HG12 VAL 61 2HG1 VAL 61 14.061 1.025 -17.446 495 HG13 VAL 61 3HG1 VAL 61 15.473 1.839 -16.771 496 HG21 VAL 61 3HG2 VAL 61 16.010 -1.894 -17.805 497 HG22 VAL 61 1HG2 VAL 61 16.051 -0.954 -16.314 498 HG23 VAL 61 2HG2 VAL 61 14.539 -1.131 -17.204 499 HA PRO 62 HA PRO 62 19.031 -1.685 -21.676 500 HB2 PRO 62 1HB PRO 62 21.241 -0.275 -20.970 501 HB3 PRO 62 2HB PRO 62 20.144 0.239 -22.258 502 HG2 PRO 62 1HG PRO 62 20.296 1.167 -19.415 503 HG3 PRO 62 2HG PRO 62 20.079 2.121 -20.894 504 HD2 PRO 62 1HD PRO 62 18.017 1.471 -19.264 505 HD3 PRO 62 2HD PRO 62 17.828 1.646 -21.021 506 H ALA 63 H ALA 63 19.419 -3.605 -20.759 507 HA ALA 63 HA ALA 63 19.878 -4.034 -18.014 508 HB1 ALA 63 1HB ALA 63 20.369 -5.786 -20.413 509 HB2 ALA 63 2HB ALA 63 20.574 -6.330 -18.747 510 HB3 ALA 63 3HB ALA 63 18.987 -5.814 -19.317 511 H ALA 64 H ALA 64 21.939 -2.895 -20.444 512 HA ALA 64 HA ALA 64 24.398 -3.939 -19.379 513 HB1 ALA 64 1HB ALA 64 23.887 -1.750 -21.389 514 HB2 ALA 64 2HB ALA 64 25.472 -2.416 -20.993 515 HB3 ALA 64 3HB ALA 64 24.247 -3.441 -21.740 516 H TYR 65 H TYR 65 22.361 -1.245 -18.737 517 HA TYR 65 HA TYR 65 24.486 0.067 -17.183 518 HB2 TYR 65 1HB TYR 65 21.834 1.162 -18.143 519 HB3 TYR 65 2HB TYR 65 23.018 2.057 -17.198 520 HD1 TYR 65 HD2 TYR 65 25.440 0.803 -18.717 521 HD2 TYR 65 HD1 TYR 65 21.859 2.717 -19.989 522 HE1 TYR 65 HE2 TYR 65 26.561 1.510 -20.789 523 HE2 TYR 65 HE1 TYR 65 22.970 3.429 -22.065 524 HH TYR 65 HH TYR 65 25.138 3.778 -22.967 525 H VAL 66 H VAL 66 21.497 -1.629 -16.966 526 HA VAL 66 HA VAL 66 21.382 -1.069 -14.073 527 HB VAL 66 HB VAL 66 19.016 -1.481 -14.100 528 HG11 VAL 66 1HG1 VAL 66 19.560 0.779 -14.582 529 HG12 VAL 66 2HG1 VAL 66 19.923 0.402 -16.267 530 HG13 VAL 66 3HG1 VAL 66 18.261 0.324 -15.683 531 HG21 VAL 66 3HG2 VAL 66 18.037 -1.696 -16.571 532 HG22 VAL 66 1HG2 VAL 66 19.584 -2.506 -16.821 533 HG23 VAL 66 2HG2 VAL 66 18.464 -3.102 -15.595 534 H LYS 67 H LYS 67 21.285 -2.761 -12.665 535 HA LYS 67 HA LYS 67 21.265 -5.474 -13.808 536 HB2 LYS 67 1HB LYS 67 23.561 -4.991 -13.293 537 HB3 LYS 67 2HB LYS 67 23.129 -4.361 -11.709 538 HG2 LYS 67 1HG LYS 67 22.412 -6.603 -11.023 539 HG3 LYS 67 2HG LYS 67 22.882 -7.226 -12.606 540 HD2 LYS 67 1HD LYS 67 24.765 -5.844 -10.698 541 HD3 LYS 67 2HD LYS 67 24.581 -7.596 -10.817 542 HE2 LYS 67 1HE LYS 67 26.349 -7.301 -12.229 543 HE3 LYS 67 2HE LYS 67 25.024 -7.110 -13.376 544 HZ1 LYS 67 3HZ LYS 67 27.037 -5.315 -12.895 545 HZ2 LYS 67 1HZ LYS 67 25.692 -4.641 -12.121 546 HZ3 LYS 67 2HZ LYS 67 25.617 -5.022 -13.767 547 H LYS 68 H LYS 68 20.382 -7.105 -12.506 548 HA LYS 68 HA LYS 68 18.233 -6.311 -10.855 549 HB2 LYS 68 1HB LYS 68 17.781 -8.625 -10.572 550 HB3 LYS 68 2HB LYS 68 18.400 -8.440 -12.207 551 HG2 LYS 68 1HG LYS 68 20.695 -8.985 -11.005 552 HG3 LYS 68 2HG LYS 68 19.613 -9.774 -9.854 553 HD2 LYS 68 1HD LYS 68 19.998 -11.498 -11.318 554 HD3 LYS 68 2HD LYS 68 18.553 -10.784 -12.037 555 HE2 LYS 68 1HE LYS 68 20.016 -11.110 -13.839 556 HE3 LYS 68 2HE LYS 68 20.154 -9.395 -13.456 557 HZ1 LYS 68 3HZ LYS 68 22.325 -10.320 -13.804 558 HZ2 LYS 68 1HZ LYS 68 22.050 -11.538 -12.662 559 HZ3 LYS 68 2HZ LYS 68 22.163 -9.925 -12.167 560 H LEU 69 H LEU 69 17.893 -6.985 -8.602 561 HA LEU 69 HA LEU 69 20.384 -7.021 -7.035 562 HB2 LEU 69 1HB LEU 69 17.896 -5.535 -6.228 563 HB3 LEU 69 2HB LEU 69 19.475 -5.496 -5.447 564 HG LEU 69 HG LEU 69 19.169 -4.515 -8.258 565 HD11 LEU 69 1HD1 LEU 69 19.041 -2.238 -6.778 566 HD12 LEU 69 2HD1 LEU 69 18.009 -3.323 -5.847 567 HD13 LEU 69 3HD1 LEU 69 17.660 -3.020 -7.549 568 HD21 LEU 69 3HD2 LEU 69 20.880 -3.023 -6.492 569 HD22 LEU 69 1HD2 LEU 69 21.280 -3.885 -7.978 570 HD23 LEU 69 2HD2 LEU 69 21.279 -4.741 -6.435 571 H ASP 70 H ASP 70 19.583 -9.393 -7.389 572 HA ASP 70 HA ASP 70 17.486 -10.192 -5.550 573 HB2 ASP 70 1HB ASP 70 19.205 -11.629 -7.547 574 HB3 ASP 70 2HB ASP 70 18.313 -12.538 -6.330 Start of MODEL 4 1 H1 MET 1 H MET 1 2.240 0.065 -3.601 2 HA MET 1 HA MET 1 0.738 -2.088 -3.327 3 HB2 MET 1 1HB MET 1 1.948 -1.208 -5.953 4 HB3 MET 1 2HB MET 1 0.568 -2.288 -5.808 5 HG2 MET 1 1HG MET 1 0.463 0.372 -4.479 6 HG3 MET 1 2HG MET 1 0.245 0.272 -6.224 7 HE1 MET 1 3HE MET 1 -1.128 0.730 -3.230 8 HE2 MET 1 1HE MET 1 -2.857 0.484 -3.474 9 HE3 MET 1 2HE MET 1 -1.891 -0.768 -2.694 10 H ASP 2 H ASP 2 3.371 -2.813 -2.405 11 HA ASP 2 HA ASP 2 4.720 -4.640 -2.268 12 HB2 ASP 2 1HB ASP 2 2.350 -5.705 -2.433 13 HB3 ASP 2 2HB ASP 2 2.845 -6.148 -4.064 14 H GLU 3 H GLU 3 5.557 -2.835 -4.088 15 HA GLU 3 HA GLU 3 6.225 -4.317 -6.525 16 HB2 GLU 3 1HB GLU 3 6.899 -1.438 -5.953 17 HB3 GLU 3 2HB GLU 3 6.805 -2.243 -7.513 18 HG2 GLU 3 1HG GLU 3 4.794 -1.294 -7.652 19 HG3 GLU 3 2HG GLU 3 4.280 -2.593 -6.578 20 H THR 4 H THR 4 7.438 -5.197 -4.159 21 HA THR 4 HA THR 4 10.175 -5.142 -4.924 22 HB THR 4 HB THR 4 10.683 -4.282 -2.392 23 HG1 THR 4 HG1 THR 4 8.471 -3.607 -2.161 24 HG21 THR 4 3HG2 THR 4 11.146 -3.408 -5.034 25 HG22 THR 4 1HG2 THR 4 12.026 -2.955 -3.574 26 HG23 THR 4 2HG2 THR 4 10.650 -1.990 -4.110 27 H GLY 5 H GLY 5 10.901 -7.112 -4.468 28 HA2 GLY 5 1HA GLY 5 11.298 -8.477 -2.275 29 HA3 GLY 5 2HA GLY 5 9.553 -8.657 -2.371 30 H LYS 6 H LYS 6 10.206 -8.555 -5.465 31 HA LYS 6 HA LYS 6 10.566 -11.464 -5.659 32 HB2 LYS 6 1HB LYS 6 9.617 -11.132 -7.982 33 HB3 LYS 6 2HB LYS 6 8.513 -10.808 -6.652 34 HG2 LYS 6 1HG LYS 6 9.913 -8.411 -7.382 35 HG3 LYS 6 2HG LYS 6 9.145 -9.133 -8.797 36 HD2 LYS 6 1HD LYS 6 7.319 -8.031 -8.082 37 HD3 LYS 6 2HD LYS 6 7.171 -9.374 -6.946 38 HE2 LYS 6 1HE LYS 6 8.957 -7.203 -6.087 39 HE3 LYS 6 2HE LYS 6 7.259 -6.755 -6.237 40 HZ1 LYS 6 3HZ LYS 6 6.755 -8.743 -4.836 41 HZ2 LYS 6 1HZ LYS 6 7.596 -7.512 -4.038 42 HZ3 LYS 6 2HZ LYS 6 8.415 -8.900 -4.550 43 H GLU 7 H GLU 7 11.690 -8.393 -6.998 44 HA GLU 7 HA GLU 7 14.325 -9.200 -7.350 45 HB2 GLU 7 1HB GLU 7 13.622 -10.729 -9.047 46 HB3 GLU 7 2HB GLU 7 12.611 -9.511 -9.812 47 HG2 GLU 7 1HG GLU 7 14.609 -8.246 -10.435 48 HG3 GLU 7 2HG GLU 7 15.618 -9.479 -9.679 49 H LEU 8 H LEU 8 15.590 -7.462 -7.764 50 HA LEU 8 HA LEU 8 14.399 -5.096 -9.004 51 HB2 LEU 8 1HB LEU 8 15.620 -5.224 -6.263 52 HB3 LEU 8 2HB LEU 8 15.535 -3.719 -7.178 53 HG LEU 8 HG LEU 8 12.974 -5.129 -6.921 54 HD11 LEU 8 1HD1 LEU 8 13.777 -3.703 -4.458 55 HD12 LEU 8 2HD1 LEU 8 14.408 -5.335 -4.680 56 HD13 LEU 8 3HD1 LEU 8 12.667 -5.056 -4.680 57 HD21 LEU 8 3HD2 LEU 8 12.176 -3.055 -7.165 58 HD22 LEU 8 1HD2 LEU 8 13.830 -2.615 -7.589 59 HD23 LEU 8 2HD2 LEU 8 13.256 -2.395 -5.936 60 H VAL 9 H VAL 9 15.936 -3.584 -9.818 61 HA VAL 9 HA VAL 9 18.689 -4.618 -9.999 62 HB VAL 9 HB VAL 9 18.818 -3.890 -12.321 63 HG11 VAL 9 1HG1 VAL 9 16.932 -5.944 -11.401 64 HG12 VAL 9 2HG1 VAL 9 16.741 -5.459 -13.087 65 HG13 VAL 9 3HG1 VAL 9 18.294 -6.068 -12.514 66 HG21 VAL 9 3HG2 VAL 9 16.109 -3.565 -13.033 67 HG22 VAL 9 1HG2 VAL 9 16.408 -2.506 -11.654 68 HG23 VAL 9 2HG2 VAL 9 17.402 -2.368 -13.105 69 H LEU 10 H LEU 10 20.327 -3.118 -9.974 70 HA LEU 10 HA LEU 10 19.565 -0.449 -9.076 71 HB2 LEU 10 1HB LEU 10 21.292 -1.996 -7.945 72 HB3 LEU 10 2HB LEU 10 22.370 -1.491 -9.245 73 HG LEU 10 HG LEU 10 21.020 0.563 -7.537 74 HD11 LEU 10 1HD1 LEU 10 23.079 -1.358 -6.698 75 HD12 LEU 10 2HD1 LEU 10 21.969 -0.383 -5.734 76 HD13 LEU 10 3HD1 LEU 10 23.448 0.336 -6.372 77 HD21 LEU 10 3HD2 LEU 10 22.849 0.580 -9.676 78 HD22 LEU 10 1HD2 LEU 10 23.749 1.056 -8.236 79 HD23 LEU 10 2HD2 LEU 10 22.301 1.947 -8.704 80 H ALA 11 H ALA 11 20.176 1.437 -10.082 81 HA ALA 11 HA ALA 11 20.848 1.185 -12.904 82 HB1 ALA 11 1HB ALA 11 20.497 3.803 -12.647 83 HB2 ALA 11 2HB ALA 11 19.140 2.684 -12.783 84 HB3 ALA 11 3HB ALA 11 19.631 3.286 -11.200 85 H LEU 12 H LEU 12 22.998 0.869 -13.158 86 HA LEU 12 HA LEU 12 25.016 2.011 -11.559 87 HB2 LEU 12 1HB LEU 12 25.333 1.128 -14.416 88 HB3 LEU 12 2HB LEU 12 26.565 1.175 -13.158 89 HG LEU 12 HG LEU 12 24.186 -0.679 -13.132 90 HD11 LEU 12 1HD1 LEU 12 25.274 -1.728 -14.787 91 HD12 LEU 12 2HD1 LEU 12 26.366 -2.253 -13.506 92 HD13 LEU 12 3HD1 LEU 12 26.777 -0.851 -14.494 93 HD21 LEU 12 3HD2 LEU 12 25.862 -1.870 -11.528 94 HD22 LEU 12 1HD2 LEU 12 24.874 -0.533 -10.937 95 HD23 LEU 12 2HD2 LEU 12 26.562 -0.258 -11.371 96 H TYR 13 H TYR 13 23.763 2.925 -14.757 97 HA TYR 13 HA TYR 13 24.967 5.585 -14.360 98 HB2 TYR 13 1HB TYR 13 24.589 4.176 -17.009 99 HB3 TYR 13 2HB TYR 13 25.342 5.747 -16.755 100 HD1 TYR 13 HD2 TYR 13 27.581 5.913 -15.794 101 HD2 TYR 13 HD1 TYR 13 25.775 2.128 -16.512 102 HE1 TYR 13 HE2 TYR 13 29.773 4.826 -15.541 103 HE2 TYR 13 HE1 TYR 13 27.962 1.030 -16.260 104 HH TYR 13 HH TYR 13 30.292 1.522 -16.365 105 H ASP 14 H ASP 14 23.680 7.321 -14.671 106 HA ASP 14 HA ASP 14 20.928 7.128 -14.522 107 HB2 ASP 14 1HB ASP 14 20.928 9.539 -15.287 108 HB3 ASP 14 2HB ASP 14 21.969 9.183 -13.911 109 H TYR 15 H TYR 15 19.305 7.914 -16.105 110 HA TYR 15 HA TYR 15 20.015 7.341 -18.892 111 HB2 TYR 15 1HB TYR 15 18.920 5.359 -17.576 112 HB3 TYR 15 2HB TYR 15 17.436 6.280 -17.793 113 HD1 TYR 15 HD2 TYR 15 20.356 5.560 -20.019 114 HD2 TYR 15 HD1 TYR 15 16.145 5.336 -19.452 115 HE1 TYR 15 HE2 TYR 15 20.108 4.617 -22.277 116 HE2 TYR 15 HE1 TYR 15 15.885 4.391 -21.708 117 HH TYR 15 HH TYR 15 17.411 4.562 -23.961 118 H GLN 16 H GLN 16 18.103 7.908 -20.366 119 HA GLN 16 HA GLN 16 16.454 10.077 -19.327 120 HB2 GLN 16 1HB GLN 16 18.829 10.507 -20.873 121 HB3 GLN 16 2HB GLN 16 17.431 10.991 -21.824 122 HG2 GLN 16 1HG GLN 16 17.293 11.935 -19.082 123 HG3 GLN 16 2HG GLN 16 18.727 12.509 -19.931 124 HE21 GLN 16 2HE2 GLN 16 15.445 12.964 -19.406 125 HE22 GLN 16 1HE2 GLN 16 15.142 14.119 -20.655 126 H GLU 17 H GLU 17 14.641 8.824 -19.716 127 HA GLU 17 HA GLU 17 14.073 7.333 -21.984 128 HB2 GLU 17 1HB GLU 17 11.723 7.513 -21.344 129 HB3 GLU 17 2HB GLU 17 12.733 7.235 -19.933 130 HG2 GLU 17 1HG GLU 17 11.284 8.856 -19.188 131 HG3 GLU 17 2HG GLU 17 12.683 9.807 -19.686 132 H LYS 18 H LYS 18 12.964 7.738 -23.895 133 HA LYS 18 HA LYS 18 12.803 10.579 -24.663 134 HB2 LYS 18 1HB LYS 18 13.217 8.285 -26.573 135 HB3 LYS 18 2HB LYS 18 13.436 10.002 -26.881 136 HG2 LYS 18 1HG LYS 18 15.606 9.428 -26.626 137 HG3 LYS 18 2HG LYS 18 15.221 9.719 -24.929 138 HD2 LYS 18 1HD LYS 18 16.276 7.662 -24.842 139 HD3 LYS 18 2HD LYS 18 14.573 7.201 -24.916 140 HE2 LYS 18 1HE LYS 18 15.827 5.823 -26.439 141 HE3 LYS 18 2HE LYS 18 14.804 6.919 -27.366 142 HZ1 LYS 18 3HZ LYS 18 16.571 7.864 -28.304 143 HZ2 LYS 18 1HZ LYS 18 17.473 6.559 -27.717 144 HZ3 LYS 18 2HZ LYS 18 17.405 8.002 -26.838 145 H SER 19 H SER 19 11.147 7.579 -24.412 146 HA SER 19 HA SER 19 8.797 8.774 -25.730 147 HB2 SER 19 1HB SER 19 9.992 6.070 -25.979 148 HB3 SER 19 2HB SER 19 8.232 6.143 -25.897 149 HG SER 19 HG SER 19 9.602 7.878 -27.624 150 HA PRO 20 HA PRO 20 6.479 8.188 -22.053 151 HB2 PRO 20 1HB PRO 20 4.061 7.397 -22.999 152 HB3 PRO 20 2HB PRO 20 4.665 9.049 -23.169 153 HG2 PRO 20 1HG PRO 20 4.668 6.817 -25.164 154 HG3 PRO 20 2HG PRO 20 4.273 8.529 -25.402 155 HD2 PRO 20 1HD PRO 20 6.674 7.479 -26.085 156 HD3 PRO 20 2HD PRO 20 6.489 9.153 -25.523 157 H ARG 21 H ARG 21 6.431 5.503 -24.340 158 HA ARG 21 HA ARG 21 5.397 3.575 -22.527 159 HB2 ARG 21 1HB ARG 21 6.215 1.920 -24.192 160 HB3 ARG 21 2HB ARG 21 5.230 3.192 -24.903 161 HG2 ARG 21 1HG ARG 21 7.258 4.333 -25.663 162 HG3 ARG 21 2HG ARG 21 8.237 3.042 -24.963 163 HD2 ARG 21 1HD ARG 21 6.096 2.495 -26.998 164 HD3 ARG 21 2HD ARG 21 7.740 2.928 -27.467 165 HE ARG 21 HE ARG 21 7.625 0.747 -25.606 166 HH11 ARG 21 1HH1 ARG 21 7.452 1.641 -28.966 167 HH12 ARG 21 2HH1 ARG 21 7.941 0.081 -29.541 168 HH21 ARG 21 1HH2 ARG 21 8.270 -1.311 -26.350 169 HH22 ARG 21 2HH2 ARG 21 8.405 -1.597 -28.052 170 H GLU 22 H GLU 22 8.589 4.794 -23.221 171 HA GLU 22 HA GLU 22 9.910 2.684 -21.736 172 HB2 GLU 22 1HB GLU 22 10.751 4.177 -23.799 173 HB3 GLU 22 2HB GLU 22 11.369 5.161 -22.479 174 HG2 GLU 22 1HG GLU 22 13.139 3.837 -22.443 175 HG3 GLU 22 2HG GLU 22 12.093 2.570 -21.806 176 H VAL 23 H VAL 23 11.723 3.628 -20.175 177 HA VAL 23 HA VAL 23 10.556 5.685 -18.440 178 HB VAL 23 HB VAL 23 11.284 4.244 -16.455 179 HG11 VAL 23 1HG1 VAL 23 9.146 2.916 -16.543 180 HG12 VAL 23 2HG1 VAL 23 8.972 4.650 -16.817 181 HG13 VAL 23 3HG1 VAL 23 8.921 3.532 -18.180 182 HG21 VAL 23 3HG2 VAL 23 11.257 1.819 -16.836 183 HG22 VAL 23 1HG2 VAL 23 11.135 2.101 -18.573 184 HG23 VAL 23 2HG2 VAL 23 12.582 2.602 -17.698 185 H THR 24 H THR 24 12.134 6.370 -16.717 186 HA THR 24 HA THR 24 14.910 6.167 -17.681 187 HB THR 24 HB THR 24 13.626 8.407 -18.120 188 HG1 THR 24 HG1 THR 24 15.890 8.099 -18.417 189 HG21 THR 24 3HG2 THR 24 13.617 9.981 -16.354 190 HG22 THR 24 1HG2 THR 24 14.568 8.929 -15.307 191 HG23 THR 24 2HG2 THR 24 12.896 8.516 -15.688 192 H MET 25 H MET 25 16.550 6.540 -16.061 193 HA MET 25 HA MET 25 15.636 6.303 -13.285 194 HB2 MET 25 1HB MET 25 17.826 4.566 -14.426 195 HB3 MET 25 2HB MET 25 17.120 4.478 -12.817 196 HG2 MET 25 1HG MET 25 15.175 3.492 -13.579 197 HG3 MET 25 2HG MET 25 15.409 4.068 -15.228 198 HE1 MET 25 3HE MET 25 17.990 1.753 -16.744 199 HE2 MET 25 1HE MET 25 17.279 3.367 -16.710 200 HE3 MET 25 2HE MET 25 18.674 2.997 -15.696 201 H LYS 26 H LYS 26 17.630 6.443 -11.773 202 HA LYS 26 HA LYS 26 19.493 8.461 -12.841 203 HB2 LYS 26 1HB LYS 26 18.392 8.393 -10.028 204 HB3 LYS 26 2HB LYS 26 19.418 9.636 -10.732 205 HG2 LYS 26 1HG LYS 26 16.669 8.998 -11.768 206 HG3 LYS 26 2HG LYS 26 16.981 10.210 -10.523 207 HD2 LYS 26 1HD LYS 26 18.493 11.380 -12.083 208 HD3 LYS 26 2HD LYS 26 18.096 10.193 -13.328 209 HE2 LYS 26 1HE LYS 26 16.820 12.331 -13.498 210 HE3 LYS 26 2HE LYS 26 15.812 10.891 -13.364 211 HZ1 LYS 26 3HZ LYS 26 15.212 11.410 -11.209 212 HZ2 LYS 26 1HZ LYS 26 15.257 12.937 -11.936 213 HZ3 LYS 26 2HZ LYS 26 16.538 12.428 -10.956 214 H LYS 27 H LYS 27 21.600 8.486 -11.959 215 HA LYS 27 HA LYS 27 22.816 6.037 -11.583 216 HB2 LYS 27 1HB LYS 27 24.708 7.405 -10.548 217 HB3 LYS 27 2HB LYS 27 24.208 7.841 -12.177 218 HG2 LYS 27 1HG LYS 27 22.773 9.299 -10.099 219 HG3 LYS 27 2HG LYS 27 24.517 9.571 -10.081 220 HD2 LYS 27 1HD LYS 27 24.029 9.762 -12.727 221 HD3 LYS 27 2HD LYS 27 22.492 10.345 -12.084 222 HE2 LYS 27 1HE LYS 27 24.223 11.693 -10.512 223 HE3 LYS 27 2HE LYS 27 25.179 11.557 -11.986 224 HZ1 LYS 27 3HZ LYS 27 22.964 12.360 -13.076 225 HZ2 LYS 27 1HZ LYS 27 24.033 13.474 -12.384 226 HZ3 LYS 27 2HZ LYS 27 22.657 12.982 -11.533 227 H GLY 28 H GLY 28 22.460 4.600 -10.024 228 HA2 GLY 28 1HA GLY 28 22.779 3.848 -7.800 229 HA3 GLY 28 2HA GLY 28 22.584 5.502 -7.240 230 H ASP 29 H ASP 29 20.291 4.460 -9.547 231 HA ASP 29 HA ASP 29 18.207 4.533 -7.521 232 HB2 ASP 29 1HB ASP 29 18.256 4.639 -10.515 233 HB3 ASP 29 2HB ASP 29 16.761 4.212 -9.688 234 H ILE 30 H ILE 30 16.348 2.919 -7.864 235 HA ILE 30 HA ILE 30 17.285 0.260 -8.625 236 HB ILE 30 HB ILE 30 16.015 0.732 -5.931 237 HG12 ILE 30 1HG1 ILE 30 18.923 0.186 -6.568 238 HG13 ILE 30 2HG1 ILE 30 18.277 1.733 -6.033 239 HG21 ILE 30 1HG2 ILE 30 16.533 -1.594 -7.534 240 HG22 ILE 30 2HG2 ILE 30 17.426 -1.685 -6.017 241 HG23 ILE 30 3HG2 ILE 30 15.677 -1.462 -5.998 242 HD11 ILE 30 3HD1 ILE 30 18.875 1.023 -4.005 243 HD12 ILE 30 1HD1 ILE 30 17.387 0.079 -4.076 244 HD13 ILE 30 2HD1 ILE 30 18.928 -0.668 -4.502 245 H LEU 31 H LEU 31 15.801 -0.533 -9.949 246 HA LEU 31 HA LEU 31 12.974 0.145 -9.468 247 HB2 LEU 31 1HB LEU 31 14.514 -0.305 -12.000 248 HB3 LEU 31 2HB LEU 31 12.761 -0.481 -11.956 249 HG LEU 31 HG LEU 31 13.286 1.691 -12.805 250 HD11 LEU 31 1HD1 LEU 31 11.414 1.394 -11.121 251 HD12 LEU 31 2HD1 LEU 31 11.997 3.039 -11.372 252 HD13 LEU 31 3HD1 LEU 31 12.495 2.135 -9.941 253 HD21 LEU 31 3HD2 LEU 31 14.826 2.231 -10.273 254 HD22 LEU 31 1HD2 LEU 31 14.658 3.285 -11.677 255 HD23 LEU 31 2HD2 LEU 31 15.576 1.785 -11.806 256 H THR 32 H THR 32 11.410 -1.478 -9.734 257 HA THR 32 HA THR 32 12.317 -4.111 -9.019 258 HB THR 32 HB THR 32 9.476 -3.740 -9.760 259 HG1 THR 32 HG1 THR 32 9.189 -2.593 -7.687 260 HG21 THR 32 3HG2 THR 32 10.920 -4.858 -7.356 261 HG22 THR 32 1HG2 THR 32 10.201 -5.776 -8.678 262 HG23 THR 32 2HG2 THR 32 9.170 -4.870 -7.571 263 H LEU 33 H LEU 33 12.162 -5.992 -10.203 264 HA LEU 33 HA LEU 33 12.093 -5.641 -13.087 265 HB2 LEU 33 1HB LEU 33 13.827 -6.992 -11.764 266 HB3 LEU 33 2HB LEU 33 12.572 -8.222 -11.633 267 HG LEU 33 HG LEU 33 14.241 -8.613 -13.449 268 HD11 LEU 33 1HD1 LEU 33 11.800 -8.308 -14.997 269 HD12 LEU 33 2HD1 LEU 33 11.523 -9.039 -13.417 270 HD13 LEU 33 3HD1 LEU 33 12.676 -9.768 -14.535 271 HD21 LEU 33 3HD2 LEU 33 14.389 -6.153 -14.037 272 HD22 LEU 33 1HD2 LEU 33 12.860 -6.365 -14.890 273 HD23 LEU 33 2HD2 LEU 33 14.284 -7.277 -15.392 274 H LEU 34 H LEU 34 10.539 -6.376 -14.424 275 HA LEU 34 HA LEU 34 8.306 -7.870 -13.212 276 HB2 LEU 34 1HB LEU 34 8.372 -5.467 -14.905 277 HB3 LEU 34 2HB LEU 34 7.181 -6.678 -15.373 278 HG LEU 34 HG LEU 34 6.372 -6.579 -12.956 279 HD11 LEU 34 1HD1 LEU 34 8.365 -5.432 -12.068 280 HD12 LEU 34 2HD1 LEU 34 6.868 -4.569 -11.715 281 HD13 LEU 34 3HD1 LEU 34 7.931 -3.999 -13.001 282 HD21 LEU 34 3HD2 LEU 34 6.056 -4.445 -15.018 283 HD22 LEU 34 1HD2 LEU 34 5.270 -4.261 -13.450 284 HD23 LEU 34 2HD2 LEU 34 4.899 -5.656 -14.464 285 H ASN 35 H ASN 35 10.145 -7.287 -16.182 286 HA ASN 35 HA ASN 35 9.692 -10.068 -16.950 287 HB2 ASN 35 1HB ASN 35 8.371 -7.873 -18.202 288 HB3 ASN 35 2HB ASN 35 9.549 -8.519 -19.340 289 HD21 ASN 35 2HD2 ASN 35 8.372 -9.653 -20.729 290 HD22 ASN 35 1HD2 ASN 35 7.269 -10.914 -20.308 291 H SER 36 H SER 36 11.612 -10.938 -17.315 292 HA SER 36 HA SER 36 13.730 -9.243 -18.470 293 HB2 SER 36 1HB SER 36 15.370 -10.523 -17.197 294 HB3 SER 36 2HB SER 36 14.165 -9.845 -16.102 295 HG SER 36 HG SER 36 14.814 -12.425 -16.531 296 H THR 37 H THR 37 11.867 -10.748 -19.995 297 HA THR 37 HA THR 37 12.865 -13.270 -20.774 298 HB THR 37 HB THR 37 10.577 -12.606 -21.295 299 HG1 THR 37 HG1 THR 37 10.767 -13.929 -22.925 300 HG21 THR 37 3HG2 THR 37 10.008 -10.906 -22.832 301 HG22 THR 37 1HG2 THR 37 11.675 -10.736 -23.383 302 HG23 THR 37 2HG2 THR 37 11.218 -10.188 -21.770 303 H ASN 38 H ASN 38 13.822 -10.046 -21.547 304 HA ASN 38 HA ASN 38 15.494 -11.009 -23.763 305 HB2 ASN 38 1HB ASN 38 13.865 -8.921 -23.856 306 HB3 ASN 38 2HB ASN 38 15.239 -8.105 -23.115 307 HD21 ASN 38 2HD2 ASN 38 14.158 -9.915 -25.910 308 HD22 ASN 38 1HD2 ASN 38 15.380 -9.344 -26.990 309 H LYS 39 H LYS 39 17.635 -9.710 -23.919 310 HA LYS 39 HA LYS 39 18.884 -9.711 -21.249 311 HB2 LYS 39 1HB LYS 39 20.271 -10.259 -23.875 312 HB3 LYS 39 2HB LYS 39 20.930 -10.467 -22.258 313 HG2 LYS 39 1HG LYS 39 19.390 -12.284 -21.829 314 HG3 LYS 39 2HG LYS 39 18.636 -12.045 -23.407 315 HD2 LYS 39 1HD LYS 39 20.158 -13.890 -23.571 316 HD3 LYS 39 2HD LYS 39 20.845 -12.527 -24.459 317 HE2 LYS 39 1HE LYS 39 22.556 -13.635 -23.135 318 HE3 LYS 39 2HE LYS 39 22.270 -12.002 -22.536 319 HZ1 LYS 39 3HZ LYS 39 22.462 -13.694 -20.765 320 HZ2 LYS 39 1HZ LYS 39 21.065 -14.444 -21.354 321 HZ3 LYS 39 2HZ LYS 39 20.984 -12.871 -20.737 322 H ASP 40 H ASP 40 18.396 -7.982 -24.208 323 HA ASP 40 HA ASP 40 20.443 -6.019 -23.730 324 HB2 ASP 40 1HB ASP 40 18.127 -6.093 -25.671 325 HB3 ASP 40 2HB ASP 40 19.330 -4.808 -25.625 326 H TRP 41 H TRP 41 16.893 -6.065 -23.528 327 HA TRP 41 HA TRP 41 17.068 -3.782 -21.676 328 HB2 TRP 41 1HB TRP 41 14.861 -4.215 -23.699 329 HB3 TRP 41 2HB TRP 41 15.039 -2.844 -22.606 330 HD1 TRP 41 HD1 TRP 41 16.785 -4.409 -25.680 331 HE1 TRP 41 HE1 TRP 41 18.012 -2.532 -26.943 332 HE3 TRP 41 HE3 TRP 41 15.937 -0.556 -22.429 333 HZ2 TRP 41 HZ2 TRP 41 18.551 0.218 -26.605 334 HZ3 TRP 41 HZ3 TRP 41 16.843 1.666 -22.973 335 HH2 TRP 41 HH2 TRP 41 18.123 2.043 -25.017 336 H TRP 42 H TRP 42 15.792 -3.864 -19.877 337 HA TRP 42 HA TRP 42 14.196 -6.317 -19.528 338 HB2 TRP 42 1HB TRP 42 15.723 -4.732 -17.451 339 HB3 TRP 42 2HB TRP 42 14.702 -6.126 -17.108 340 HD1 TRP 42 HD1 TRP 42 15.876 -7.711 -19.812 341 HE1 TRP 42 HE1 TRP 42 18.162 -8.865 -19.552 342 HE3 TRP 42 HE3 TRP 42 17.607 -5.173 -15.725 343 HZ2 TRP 42 HZ2 TRP 42 20.402 -8.719 -17.841 344 HZ3 TRP 42 HZ3 TRP 42 19.831 -5.741 -14.839 345 HH2 TRP 42 HH2 TRP 42 21.198 -7.478 -15.877 346 H LYS 43 H LYS 43 12.190 -6.178 -18.557 347 HA LYS 43 HA LYS 43 10.967 -3.538 -18.640 348 HB2 LYS 43 1HB LYS 43 9.830 -5.398 -19.757 349 HB3 LYS 43 2HB LYS 43 9.744 -6.274 -18.235 350 HG2 LYS 43 1HG LYS 43 7.639 -5.388 -18.355 351 HG3 LYS 43 2HG LYS 43 8.471 -4.146 -17.416 352 HD2 LYS 43 1HD LYS 43 7.694 -2.702 -18.937 353 HD3 LYS 43 2HD LYS 43 8.926 -3.364 -20.014 354 HE2 LYS 43 1HE LYS 43 6.822 -3.392 -21.161 355 HE3 LYS 43 2HE LYS 43 7.265 -5.053 -20.772 356 HZ1 LYS 43 3HZ LYS 43 4.945 -4.671 -20.300 357 HZ2 LYS 43 1HZ LYS 43 5.321 -3.368 -19.288 358 HZ3 LYS 43 2HZ LYS 43 5.777 -4.937 -18.851 359 H VAL 44 H VAL 44 11.136 -2.351 -16.852 360 HA VAL 44 HA VAL 44 10.720 -3.680 -14.252 361 HB VAL 44 HB VAL 44 12.044 -1.861 -13.233 362 HG11 VAL 44 1HG1 VAL 44 14.270 -2.565 -14.244 363 HG12 VAL 44 2HG1 VAL 44 13.239 -3.851 -13.614 364 HG13 VAL 44 3HG1 VAL 44 13.328 -3.561 -15.352 365 HG21 VAL 44 3HG2 VAL 44 13.387 -0.389 -14.655 366 HG22 VAL 44 1HG2 VAL 44 12.612 -1.066 -16.087 367 HG23 VAL 44 2HG2 VAL 44 11.662 -0.142 -14.924 368 H GLU 45 H GLU 45 9.737 -2.310 -12.574 369 HA GLU 45 HA GLU 45 7.682 -0.569 -13.750 370 HB2 GLU 45 1HB GLU 45 6.704 -2.415 -12.591 371 HB3 GLU 45 2HB GLU 45 7.742 -2.169 -11.193 372 HG2 GLU 45 1HG GLU 45 6.559 -0.296 -10.488 373 HG3 GLU 45 2HG GLU 45 5.810 -0.058 -12.066 374 H VAL 46 H VAL 46 8.012 1.534 -13.540 375 HA VAL 46 HA VAL 46 9.597 2.509 -11.263 376 HB VAL 46 HB VAL 46 10.049 4.502 -12.542 377 HG11 VAL 46 1HG1 VAL 46 10.923 1.941 -13.229 378 HG12 VAL 46 2HG1 VAL 46 10.604 2.753 -14.763 379 HG13 VAL 46 3HG1 VAL 46 11.714 3.474 -13.597 380 HG21 VAL 46 3HG2 VAL 46 7.902 4.740 -13.661 381 HG22 VAL 46 1HG2 VAL 46 9.217 4.782 -14.836 382 HG23 VAL 46 2HG2 VAL 46 8.244 3.323 -14.654 383 H LYS 47 H LYS 47 8.968 4.818 -10.600 384 HA LYS 47 HA LYS 47 6.032 4.985 -10.399 385 HB2 LYS 47 1HB LYS 47 8.173 5.295 -8.350 386 HB3 LYS 47 2HB LYS 47 6.749 6.317 -8.209 387 HG2 LYS 47 1HG LYS 47 5.315 4.399 -8.072 388 HG3 LYS 47 2HG LYS 47 6.667 3.314 -8.404 389 HD2 LYS 47 1HD LYS 47 6.333 3.221 -6.070 390 HD3 LYS 47 2HD LYS 47 7.746 4.252 -6.306 391 HE2 LYS 47 1HE LYS 47 5.068 5.540 -6.192 392 HE3 LYS 47 2HE LYS 47 5.763 4.937 -4.688 393 HZ1 LYS 47 3HZ LYS 47 6.352 7.316 -6.023 394 HZ2 LYS 47 1HZ LYS 47 7.740 6.350 -6.087 395 HZ3 LYS 47 2HZ LYS 47 7.039 6.725 -4.594 396 H ALA 48 H ALA 48 5.092 7.064 -10.375 397 HA ALA 48 HA ALA 48 6.829 9.327 -11.018 398 HB1 ALA 48 1HB ALA 48 4.962 9.855 -12.824 399 HB2 ALA 48 2HB ALA 48 6.383 8.881 -13.205 400 HB3 ALA 48 3HB ALA 48 4.845 8.095 -12.849 401 H THR 49 H THR 49 5.614 11.407 -11.006 402 HA THR 49 HA THR 49 3.229 11.303 -9.287 403 HB THR 49 HB THR 49 5.367 13.391 -8.912 404 HG1 THR 49 HG1 THR 49 6.157 11.206 -8.477 405 HG21 THR 49 3HG2 THR 49 2.919 12.511 -7.425 406 HG22 THR 49 1HG2 THR 49 3.401 14.134 -7.914 407 HG23 THR 49 2HG2 THR 49 4.231 13.332 -6.580 408 H ALA 50 H ALA 50 1.608 12.607 -9.897 409 HA ALA 50 HA ALA 50 2.076 15.013 -11.416 410 HB1 ALA 50 1HB ALA 50 0.980 12.549 -12.697 411 HB2 ALA 50 2HB ALA 50 0.409 14.134 -13.218 412 HB3 ALA 50 3HB ALA 50 2.122 13.734 -13.332 413 H ASN 51 H ASN 51 0.303 16.401 -11.442 414 HA ASN 51 HA ASN 51 -1.557 17.379 -10.565 415 HB2 ASN 51 1HB ASN 51 -2.867 14.669 -10.610 416 HB3 ASN 51 2HB ASN 51 -3.596 16.246 -10.894 417 HD21 ASN 51 2HD2 ASN 51 -2.129 13.534 -12.287 418 HD22 ASN 51 1HD2 ASN 51 -2.062 14.105 -13.916 419 H GLY 52 H GLY 52 0.408 16.200 -8.725 420 HA2 GLY 52 1HA GLY 52 0.620 16.117 -6.431 421 HA3 GLY 52 2HA GLY 52 -1.084 16.527 -6.311 422 H LYS 53 H LYS 53 -0.174 13.788 -8.209 423 HA LYS 53 HA LYS 53 -0.839 11.966 -6.005 424 HB2 LYS 53 1HB LYS 53 -2.141 12.097 -8.715 425 HB3 LYS 53 2HB LYS 53 -2.144 10.617 -7.765 426 HG2 LYS 53 1HG LYS 53 -3.173 13.223 -6.686 427 HG3 LYS 53 2HG LYS 53 -4.189 12.095 -7.586 428 HD2 LYS 53 1HD LYS 53 -2.637 11.380 -5.101 429 HD3 LYS 53 2HD LYS 53 -4.341 11.840 -5.113 430 HE2 LYS 53 1HE LYS 53 -4.633 9.943 -6.816 431 HE3 LYS 53 2HE LYS 53 -3.040 9.402 -6.287 432 HZ1 LYS 53 3HZ LYS 53 -3.856 9.177 -4.056 433 HZ2 LYS 53 1HZ LYS 53 -4.877 8.316 -5.094 434 HZ3 LYS 53 2HZ LYS 53 -5.362 9.816 -4.483 435 H THR 54 H THR 54 0.282 10.077 -5.981 436 HA THR 54 HA THR 54 2.381 9.791 -8.008 437 HB THR 54 HB THR 54 3.182 8.011 -6.234 438 HG1 THR 54 HG1 THR 54 2.276 8.182 -4.312 439 HG21 THR 54 3HG2 THR 54 4.208 10.025 -4.924 440 HG22 THR 54 1HG2 THR 54 3.440 10.991 -6.183 441 HG23 THR 54 2HG2 THR 54 4.637 9.770 -6.615 442 H TYR 55 H TYR 55 2.336 8.198 -9.454 443 HA TYR 55 HA TYR 55 0.617 5.866 -8.926 444 HB2 TYR 55 1HB TYR 55 -0.086 5.845 -11.247 445 HB3 TYR 55 2HB TYR 55 -0.453 7.415 -10.543 446 HD1 TYR 55 HD2 TYR 55 1.309 9.288 -10.941 447 HD2 TYR 55 HD1 TYR 55 1.068 5.730 -13.260 448 HE1 TYR 55 HE2 TYR 55 2.542 10.396 -12.758 449 HE2 TYR 55 HE1 TYR 55 2.301 6.827 -15.083 450 HH TYR 55 HH TYR 55 3.346 10.213 -14.816 451 H GLU 56 H GLU 56 1.136 4.164 -10.799 452 HA GLU 56 HA GLU 56 4.070 3.936 -10.955 453 HB2 GLU 56 1HB GLU 56 2.066 1.722 -10.484 454 HB3 GLU 56 2HB GLU 56 3.791 1.487 -10.727 455 HG2 GLU 56 1HG GLU 56 4.289 2.039 -8.621 456 HG3 GLU 56 2HG GLU 56 3.139 3.375 -8.595 457 H ARG 57 H ARG 57 4.933 2.899 -12.791 458 HA ARG 57 HA ARG 57 3.141 2.146 -14.948 459 HB2 ARG 57 1HB ARG 57 4.151 3.689 -16.563 460 HB3 ARG 57 2HB ARG 57 3.354 4.561 -15.260 461 HG2 ARG 57 1HG ARG 57 5.352 5.274 -14.337 462 HG3 ARG 57 2HG ARG 57 6.284 3.997 -15.120 463 HD2 ARG 57 1HD ARG 57 6.701 6.186 -16.140 464 HD3 ARG 57 2HD ARG 57 5.967 5.060 -17.281 465 HE ARG 57 HE ARG 57 4.053 6.718 -15.932 466 HH11 ARG 57 1HH1 ARG 57 6.264 6.521 -18.614 467 HH12 ARG 57 2HH1 ARG 57 5.416 7.692 -19.569 468 HH21 ARG 57 1HH2 ARG 57 2.927 8.261 -17.179 469 HH22 ARG 57 2HH2 ARG 57 3.518 8.682 -18.751 470 H GLN 58 H GLN 58 4.080 0.787 -16.449 471 HA GLN 58 HA GLN 58 6.674 -0.300 -15.669 472 HB2 GLN 58 1HB GLN 58 4.573 -1.334 -17.580 473 HB3 GLN 58 2HB GLN 58 6.080 -2.161 -17.208 474 HG2 GLN 58 1HG GLN 58 5.428 -2.507 -14.950 475 HG3 GLN 58 2HG GLN 58 4.029 -1.450 -15.131 476 HE21 GLN 58 2HE2 GLN 58 5.275 -4.038 -17.198 477 HE22 GLN 58 1HE2 GLN 58 3.840 -4.999 -17.158 478 H GLY 59 H GLY 59 8.440 -0.420 -17.016 479 HA2 GLY 59 1HA GLY 59 8.244 0.581 -19.741 480 HA3 GLY 59 2HA GLY 59 9.192 1.563 -18.635 481 H PHE 60 H PHE 60 10.579 0.758 -20.683 482 HA PHE 60 HA PHE 60 11.993 -1.689 -19.867 483 HB2 PHE 60 1HB PHE 60 11.831 -0.298 -22.544 484 HB3 PHE 60 2HB PHE 60 12.921 -1.639 -22.208 485 HD1 PHE 60 HD1 PHE 60 12.032 -3.883 -21.779 486 HD2 PHE 60 HD2 PHE 60 9.496 -0.645 -22.877 487 HE1 PHE 60 HE1 PHE 60 10.245 -5.478 -22.341 488 HE2 PHE 60 HE2 PHE 60 7.704 -2.235 -23.440 489 HZ PHE 60 HZ PHE 60 8.077 -4.655 -23.171 490 H VAL 61 H VAL 61 14.197 -1.680 -19.565 491 HA VAL 61 HA VAL 61 15.584 0.900 -19.801 492 HB VAL 61 HB VAL 61 16.686 0.555 -17.644 493 HG11 VAL 61 1HG1 VAL 61 14.596 0.812 -16.188 494 HG12 VAL 61 2HG1 VAL 61 14.833 1.976 -17.493 495 HG13 VAL 61 3HG1 VAL 61 13.687 0.649 -17.690 496 HG21 VAL 61 3HG2 VAL 61 15.893 -1.170 -16.096 497 HG22 VAL 61 1HG2 VAL 61 14.828 -1.804 -17.351 498 HG23 VAL 61 2HG2 VAL 61 16.578 -1.881 -17.557 499 HA PRO 62 HA PRO 62 18.855 -1.404 -21.613 500 HB2 PRO 62 1HB PRO 62 20.992 0.114 -20.906 501 HB3 PRO 62 2HB PRO 62 19.820 0.616 -22.130 502 HG2 PRO 62 1HG PRO 62 20.010 1.411 -19.250 503 HG3 PRO 62 2HG PRO 62 19.680 2.420 -20.670 504 HD2 PRO 62 1HD PRO 62 17.723 1.554 -19.012 505 HD3 PRO 62 2HD PRO 62 17.461 1.802 -20.750 506 H ALA 63 H ALA 63 19.364 -3.342 -20.788 507 HA ALA 63 HA ALA 63 19.974 -3.852 -18.086 508 HB1 ALA 63 1HB ALA 63 20.728 -6.083 -18.931 509 HB2 ALA 63 2HB ALA 63 19.102 -5.617 -19.431 510 HB3 ALA 63 3HB ALA 63 20.444 -5.492 -20.568 511 H ALA 64 H ALA 64 21.850 -2.498 -20.545 512 HA ALA 64 HA ALA 64 24.409 -3.468 -19.652 513 HB1 ALA 64 1HB ALA 64 23.684 -1.232 -21.540 514 HB2 ALA 64 2HB ALA 64 25.323 -1.814 -21.242 515 HB3 ALA 64 3HB ALA 64 24.127 -2.882 -21.976 516 H TYR 65 H TYR 65 22.280 -0.906 -18.797 517 HA TYR 65 HA TYR 65 24.412 0.477 -17.324 518 HB2 TYR 65 1HB TYR 65 21.611 1.381 -18.026 519 HB3 TYR 65 2HB TYR 65 22.771 2.327 -17.100 520 HD1 TYR 65 HD2 TYR 65 25.164 1.313 -18.885 521 HD2 TYR 65 HD1 TYR 65 21.402 3.115 -19.722 522 HE1 TYR 65 HE2 TYR 65 26.079 2.238 -20.972 523 HE2 TYR 65 HE1 TYR 65 22.306 4.044 -21.812 524 HH TYR 65 HH TYR 65 25.630 4.076 -22.523 525 H VAL 66 H VAL 66 21.552 -1.428 -16.955 526 HA VAL 66 HA VAL 66 21.643 -1.014 -14.037 527 HB VAL 66 HB VAL 66 19.323 -1.752 -13.939 528 HG11 VAL 66 1HG1 VAL 66 20.183 0.598 -15.471 529 HG12 VAL 66 2HG1 VAL 66 18.489 0.154 -15.685 530 HG13 VAL 66 3HG1 VAL 66 19.118 0.482 -14.070 531 HG21 VAL 66 3HG2 VAL 66 18.242 -1.717 -16.402 532 HG22 VAL 66 1HG2 VAL 66 19.826 -2.398 -16.773 533 HG23 VAL 66 2HG2 VAL 66 18.779 -3.191 -15.596 534 H LYS 67 H LYS 67 21.523 -2.818 -12.675 535 HA LYS 67 HA LYS 67 21.653 -5.469 -13.888 536 HB2 LYS 67 1HB LYS 67 23.972 -4.918 -13.814 537 HB3 LYS 67 2HB LYS 67 23.832 -4.254 -12.192 538 HG2 LYS 67 1HG LYS 67 23.839 -6.308 -11.197 539 HG3 LYS 67 2HG LYS 67 23.144 -7.115 -12.605 540 HD2 LYS 67 1HD LYS 67 25.337 -7.872 -12.616 541 HD3 LYS 67 2HD LYS 67 25.393 -6.519 -13.748 542 HE2 LYS 67 1HE LYS 67 26.250 -5.071 -11.979 543 HE3 LYS 67 2HE LYS 67 26.169 -6.408 -10.833 544 HZ1 LYS 67 3HZ LYS 67 27.636 -7.411 -12.888 545 HZ2 LYS 67 1HZ LYS 67 28.259 -6.809 -11.434 546 HZ3 LYS 67 2HZ LYS 67 28.170 -5.808 -12.795 547 H LYS 68 H LYS 68 20.884 -7.089 -12.593 548 HA LYS 68 HA LYS 68 19.112 -6.477 -10.543 549 HB2 LYS 68 1HB LYS 68 19.364 -8.633 -11.959 550 HB3 LYS 68 2HB LYS 68 20.487 -9.145 -10.705 551 HG2 LYS 68 1HG LYS 68 17.941 -8.143 -9.678 552 HG3 LYS 68 2HG LYS 68 17.798 -9.582 -10.691 553 HD2 LYS 68 1HD LYS 68 19.739 -10.501 -9.252 554 HD3 LYS 68 2HD LYS 68 19.299 -9.219 -8.121 555 HE2 LYS 68 1HE LYS 68 18.090 -11.081 -7.386 556 HE3 LYS 68 2HE LYS 68 16.917 -10.131 -8.297 557 HZ1 LYS 68 3HZ LYS 68 17.211 -12.706 -8.677 558 HZ2 LYS 68 1HZ LYS 68 18.414 -12.182 -9.744 559 HZ3 LYS 68 2HZ LYS 68 16.817 -11.663 -9.949 560 H LEU 69 H LEU 69 19.185 -6.985 -8.271 561 HA LEU 69 HA LEU 69 21.777 -6.327 -7.112 562 HB2 LEU 69 1HB LEU 69 18.961 -6.346 -6.091 563 HB3 LEU 69 2HB LEU 69 20.323 -6.274 -4.974 564 HG LEU 69 HG LEU 69 19.483 -4.056 -5.322 565 HD11 LEU 69 1HD1 LEU 69 21.504 -3.095 -5.495 566 HD12 LEU 69 2HD1 LEU 69 21.840 -3.836 -7.059 567 HD13 LEU 69 3HD1 LEU 69 22.087 -4.758 -5.576 568 HD21 LEU 69 3HD2 LEU 69 19.384 -3.016 -7.513 569 HD22 LEU 69 1HD2 LEU 69 18.372 -4.460 -7.475 570 HD23 LEU 69 2HD2 LEU 69 19.946 -4.507 -8.269 571 H ASP 70 H ASP 70 21.764 -8.859 -8.170 572 HA ASP 70 HA ASP 70 21.010 -10.954 -6.508 573 HB2 ASP 70 1HB ASP 70 22.594 -12.311 -7.706 574 HB3 ASP 70 2HB ASP 70 21.885 -11.169 -8.844 Start of MODEL 5 1 H1 MET 1 H MET 1 -0.451 -3.313 -1.048 2 HA MET 1 HA MET 1 0.712 -2.820 1.517 3 HB2 MET 1 1HB MET 1 2.618 -4.353 1.293 4 HB3 MET 1 2HB MET 1 1.096 -5.226 1.412 5 HG2 MET 1 1HG MET 1 2.117 -4.604 -1.299 6 HG3 MET 1 2HG MET 1 2.951 -5.845 -0.367 7 HE1 MET 1 3HE MET 1 2.231 -7.889 0.298 8 HE2 MET 1 1HE MET 1 0.815 -8.788 -0.250 9 HE3 MET 1 2HE MET 1 2.113 -8.412 -1.383 10 H ASP 2 H ASP 2 3.004 -2.021 1.284 11 HA ASP 2 HA ASP 2 3.364 -0.726 -1.339 12 HB2 ASP 2 1HB ASP 2 4.416 1.168 -0.083 13 HB3 ASP 2 2HB ASP 2 2.698 0.957 0.246 14 H GLU 3 H GLU 3 4.472 -3.239 -0.633 15 HA GLU 3 HA GLU 3 7.333 -2.545 -0.502 16 HB2 GLU 3 1HB GLU 3 5.852 -4.870 0.702 17 HB3 GLU 3 2HB GLU 3 7.581 -4.944 0.397 18 HG2 GLU 3 1HG GLU 3 6.219 -2.883 2.114 19 HG3 GLU 3 2HG GLU 3 7.036 -4.326 2.712 20 H THR 4 H THR 4 8.707 -4.391 -1.451 21 HA THR 4 HA THR 4 7.689 -6.143 -3.382 22 HB THR 4 HB THR 4 7.007 -4.225 -4.665 23 HG1 THR 4 HG1 THR 4 9.454 -5.201 -5.755 24 HG21 THR 4 3HG2 THR 4 8.426 -2.418 -5.262 25 HG22 THR 4 1HG2 THR 4 9.856 -3.244 -4.644 26 HG23 THR 4 2HG2 THR 4 8.629 -2.650 -3.525 27 H GLY 5 H GLY 5 9.219 -7.647 -3.397 28 HA2 GLY 5 1HA GLY 5 12.013 -6.826 -3.748 29 HA3 GLY 5 2HA GLY 5 11.612 -7.834 -2.365 30 H LYS 6 H LYS 6 9.672 -8.468 -5.066 31 HA LYS 6 HA LYS 6 10.481 -11.121 -5.324 32 HB2 LYS 6 1HB LYS 6 8.911 -11.296 -6.994 33 HB3 LYS 6 2HB LYS 6 8.355 -9.833 -6.193 34 HG2 LYS 6 1HG LYS 6 10.173 -9.800 -8.585 35 HG3 LYS 6 2HG LYS 6 8.413 -9.759 -8.703 36 HD2 LYS 6 1HD LYS 6 9.779 -7.799 -6.921 37 HD3 LYS 6 2HD LYS 6 9.827 -7.538 -8.667 38 HE2 LYS 6 1HE LYS 6 7.334 -7.910 -7.009 39 HE3 LYS 6 2HE LYS 6 7.944 -6.370 -7.611 40 HZ1 LYS 6 3HZ LYS 6 6.415 -8.370 -8.966 41 HZ2 LYS 6 1HZ LYS 6 7.806 -7.947 -9.831 42 HZ3 LYS 6 2HZ LYS 6 6.690 -6.756 -9.389 43 H GLU 7 H GLU 7 11.665 -8.221 -6.868 44 HA GLU 7 HA GLU 7 14.124 -9.303 -7.582 45 HB2 GLU 7 1HB GLU 7 12.128 -10.187 -9.323 46 HB3 GLU 7 2HB GLU 7 12.933 -8.890 -10.195 47 HG2 GLU 7 1HG GLU 7 14.959 -9.995 -10.242 48 HG3 GLU 7 2HG GLU 7 14.547 -11.021 -8.869 49 H LEU 8 H LEU 8 15.110 -7.432 -7.105 50 HA LEU 8 HA LEU 8 14.232 -5.007 -8.529 51 HB2 LEU 8 1HB LEU 8 15.337 -5.450 -5.797 52 HB3 LEU 8 2HB LEU 8 15.667 -3.923 -6.613 53 HG LEU 8 HG LEU 8 13.741 -3.849 -5.043 54 HD11 LEU 8 1HD1 LEU 8 13.709 -3.075 -7.871 55 HD12 LEU 8 2HD1 LEU 8 13.430 -2.109 -6.423 56 HD13 LEU 8 3HD1 LEU 8 12.128 -3.093 -7.090 57 HD21 LEU 8 3HD2 LEU 8 11.682 -4.943 -5.584 58 HD22 LEU 8 1HD2 LEU 8 12.954 -6.164 -5.529 59 HD23 LEU 8 2HD2 LEU 8 12.356 -5.583 -7.083 60 H VAL 9 H VAL 9 15.827 -3.606 -9.371 61 HA VAL 9 HA VAL 9 18.512 -4.791 -9.637 62 HB VAL 9 HB VAL 9 18.638 -4.100 -11.944 63 HG11 VAL 9 1HG1 VAL 9 17.026 -6.142 -10.991 64 HG12 VAL 9 2HG1 VAL 9 16.046 -5.361 -12.234 65 HG13 VAL 9 3HG1 VAL 9 17.651 -5.975 -12.631 66 HG21 VAL 9 3HG2 VAL 9 17.442 -2.331 -12.582 67 HG22 VAL 9 1HG2 VAL 9 16.057 -3.416 -12.704 68 HG23 VAL 9 2HG2 VAL 9 16.334 -2.503 -11.221 69 H LEU 10 H LEU 10 20.237 -3.314 -9.927 70 HA LEU 10 HA LEU 10 19.656 -0.650 -8.850 71 HB2 LEU 10 1HB LEU 10 21.329 -2.249 -7.774 72 HB3 LEU 10 2HB LEU 10 22.371 -1.899 -9.151 73 HG LEU 10 HG LEU 10 21.324 0.384 -7.549 74 HD11 LEU 10 1HD1 LEU 10 22.596 0.045 -5.723 75 HD12 LEU 10 2HD1 LEU 10 23.868 -0.776 -6.626 76 HD13 LEU 10 3HD1 LEU 10 22.409 -1.652 -6.163 77 HD21 LEU 10 3HD2 LEU 10 22.612 1.270 -9.176 78 HD22 LEU 10 1HD2 LEU 10 23.540 -0.213 -9.401 79 HD23 LEU 10 2HD2 LEU 10 23.919 0.870 -8.061 80 H ALA 11 H ALA 11 20.292 1.215 -9.870 81 HA ALA 11 HA ALA 11 20.930 0.938 -12.709 82 HB1 ALA 11 1HB ALA 11 19.748 3.126 -11.047 83 HB2 ALA 11 2HB ALA 11 20.436 3.479 -12.632 84 HB3 ALA 11 3HB ALA 11 19.099 2.338 -12.486 85 H LEU 12 H LEU 12 23.059 0.812 -13.079 86 HA LEU 12 HA LEU 12 25.024 2.050 -11.427 87 HB2 LEU 12 1HB LEU 12 25.467 1.053 -14.225 88 HB3 LEU 12 2HB LEU 12 26.629 1.150 -12.903 89 HG LEU 12 HG LEU 12 24.260 -0.704 -12.842 90 HD11 LEU 12 1HD1 LEU 12 25.220 -1.983 -14.376 91 HD12 LEU 12 2HD1 LEU 12 26.617 -2.157 -13.316 92 HD13 LEU 12 3HD1 LEU 12 26.577 -0.865 -14.515 93 HD21 LEU 12 3HD2 LEU 12 26.737 -1.409 -11.466 94 HD22 LEU 12 1HD2 LEU 12 25.071 -1.424 -10.887 95 HD23 LEU 12 2HD2 LEU 12 25.995 0.078 -10.873 96 H TYR 13 H TYR 13 23.810 2.720 -14.701 97 HA TYR 13 HA TYR 13 25.092 5.366 -14.555 98 HB2 TYR 13 1HB TYR 13 24.225 3.748 -16.958 99 HB3 TYR 13 2HB TYR 13 24.853 5.390 -17.040 100 HD1 TYR 13 HD2 TYR 13 27.215 5.843 -16.532 101 HD2 TYR 13 HD1 TYR 13 25.682 1.874 -16.572 102 HE1 TYR 13 HE2 TYR 13 29.510 4.964 -16.635 103 HE2 TYR 13 HE1 TYR 13 27.973 0.984 -16.674 104 HH TYR 13 HH TYR 13 30.579 2.710 -17.534 105 H ASP 14 H ASP 14 23.821 6.964 -16.096 106 HA ASP 14 HA ASP 14 21.088 7.031 -15.049 107 HB2 ASP 14 1HB ASP 14 22.576 8.989 -14.666 108 HB3 ASP 14 2HB ASP 14 22.660 9.228 -16.409 109 H TYR 15 H TYR 15 19.386 7.919 -16.501 110 HA TYR 15 HA TYR 15 19.810 7.324 -19.334 111 HB2 TYR 15 1HB TYR 15 18.756 5.379 -17.854 112 HB3 TYR 15 2HB TYR 15 17.286 6.313 -18.112 113 HD1 TYR 15 HD2 TYR 15 20.198 5.288 -20.233 114 HD2 TYR 15 HD1 TYR 15 15.970 5.471 -19.798 115 HE1 TYR 15 HE2 TYR 15 19.931 4.247 -22.445 116 HE2 TYR 15 HE1 TYR 15 15.691 4.430 -22.009 117 HH TYR 15 HH TYR 15 17.998 4.276 -24.272 118 H GLN 16 H GLN 16 17.548 7.789 -20.489 119 HA GLN 16 HA GLN 16 16.069 9.969 -19.322 120 HB2 GLN 16 1HB GLN 16 18.349 10.512 -20.979 121 HB3 GLN 16 2HB GLN 16 16.890 11.041 -21.805 122 HG2 GLN 16 1HG GLN 16 16.975 11.802 -18.992 123 HG3 GLN 16 2HG GLN 16 18.290 12.479 -19.951 124 HE21 GLN 16 2HE2 GLN 16 14.873 12.419 -19.405 125 HE22 GLN 16 1HE2 GLN 16 14.478 13.773 -20.403 126 H GLU 17 H GLU 17 14.254 8.710 -19.683 127 HA GLU 17 HA GLU 17 13.565 7.303 -21.950 128 HB2 GLU 17 1HB GLU 17 11.220 7.577 -21.240 129 HB3 GLU 17 2HB GLU 17 12.275 7.159 -19.897 130 HG2 GLU 17 1HG GLU 17 10.925 8.803 -19.006 131 HG3 GLU 17 2HG GLU 17 12.375 9.694 -19.468 132 H LYS 18 H LYS 18 12.502 7.751 -23.853 133 HA LYS 18 HA LYS 18 12.031 10.585 -24.483 134 HB2 LYS 18 1HB LYS 18 12.829 9.860 -26.868 135 HB3 LYS 18 2HB LYS 18 14.010 10.297 -25.640 136 HG2 LYS 18 1HG LYS 18 14.724 8.315 -26.813 137 HG3 LYS 18 2HG LYS 18 14.345 7.918 -25.135 138 HD2 LYS 18 1HD LYS 18 12.432 6.757 -25.705 139 HD3 LYS 18 2HD LYS 18 12.236 7.623 -27.230 140 HE2 LYS 18 1HE LYS 18 14.253 6.456 -28.088 141 HE3 LYS 18 2HE LYS 18 14.304 5.522 -26.593 142 HZ1 LYS 18 3HZ LYS 18 12.163 4.589 -27.109 143 HZ2 LYS 18 1HZ LYS 18 13.205 4.336 -28.417 144 HZ3 LYS 18 2HZ LYS 18 12.026 5.545 -28.498 145 H SER 19 H SER 19 10.520 7.864 -23.960 146 HA SER 19 HA SER 19 8.484 8.393 -25.999 147 HB2 SER 19 1HB SER 19 8.315 5.656 -25.700 148 HB3 SER 19 2HB SER 19 9.056 6.490 -27.066 149 HG SER 19 HG SER 19 10.632 6.114 -24.804 150 HA PRO 20 HA PRO 20 5.570 8.037 -22.740 151 HB2 PRO 20 1HB PRO 20 3.471 6.821 -23.958 152 HB3 PRO 20 2HB PRO 20 3.930 8.497 -24.282 153 HG2 PRO 20 1HG PRO 20 4.538 6.027 -25.861 154 HG3 PRO 20 2HG PRO 20 4.030 7.626 -26.436 155 HD2 PRO 20 1HD PRO 20 6.609 6.804 -26.508 156 HD3 PRO 20 2HD PRO 20 6.155 8.503 -26.264 157 H ARG 21 H ARG 21 6.643 5.168 -24.350 158 HA ARG 21 HA ARG 21 5.639 3.519 -22.126 159 HB2 ARG 21 1HB ARG 21 5.036 3.049 -24.638 160 HB3 ARG 21 2HB ARG 21 6.646 2.342 -24.687 161 HG2 ARG 21 1HG ARG 21 5.323 0.520 -24.209 162 HG3 ARG 21 2HG ARG 21 5.858 1.021 -22.603 163 HD2 ARG 21 1HD ARG 21 3.507 0.558 -22.512 164 HD3 ARG 21 2HD ARG 21 3.740 2.299 -22.362 165 HE ARG 21 HE ARG 21 3.336 1.774 -25.052 166 HH11 ARG 21 1HH1 ARG 21 1.574 1.449 -22.067 167 HH12 ARG 21 2HH1 ARG 21 0.022 1.649 -22.809 168 HH21 ARG 21 1HH2 ARG 21 1.297 2.038 -26.042 169 HH22 ARG 21 2HH2 ARG 21 -0.135 1.983 -25.071 170 H GLU 22 H GLU 22 8.015 5.152 -21.996 171 HA GLU 22 HA GLU 22 9.986 3.019 -21.547 172 HB2 GLU 22 1HB GLU 22 10.387 4.511 -23.634 173 HB3 GLU 22 2HB GLU 22 10.839 5.747 -22.468 174 HG2 GLU 22 1HG GLU 22 12.801 4.606 -23.281 175 HG3 GLU 22 2HG GLU 22 12.564 4.262 -21.569 176 H VAL 23 H VAL 23 11.668 3.615 -19.975 177 HA VAL 23 HA VAL 23 10.725 5.629 -18.041 178 HB VAL 23 HB VAL 23 11.742 4.096 -16.270 179 HG11 VAL 23 1HG1 VAL 23 9.208 3.541 -17.764 180 HG12 VAL 23 2HG1 VAL 23 9.658 2.568 -16.362 181 HG13 VAL 23 3HG1 VAL 23 9.432 4.309 -16.193 182 HG21 VAL 23 3HG2 VAL 23 12.413 1.999 -16.755 183 HG22 VAL 23 1HG2 VAL 23 11.163 1.770 -17.977 184 HG23 VAL 23 2HG2 VAL 23 12.636 2.653 -18.377 185 H THR 24 H THR 24 12.631 5.840 -16.286 186 HA THR 24 HA THR 24 15.212 6.002 -17.663 187 HB THR 24 HB THR 24 13.970 8.218 -17.827 188 HG1 THR 24 HG1 THR 24 16.397 8.400 -16.365 189 HG21 THR 24 3HG2 THR 24 13.912 9.630 -15.871 190 HG22 THR 24 1HG2 THR 24 14.665 8.371 -14.893 191 HG23 THR 24 2HG2 THR 24 13.035 8.140 -15.525 192 H MET 25 H MET 25 17.010 6.495 -16.146 193 HA MET 25 HA MET 25 16.448 5.832 -13.355 194 HB2 MET 25 1HB MET 25 18.679 4.420 -14.790 195 HB3 MET 25 2HB MET 25 17.944 4.024 -13.243 196 HG2 MET 25 1HG MET 25 16.969 2.419 -14.490 197 HG3 MET 25 2HG MET 25 15.806 3.709 -14.783 198 HE1 MET 25 3HE MET 25 19.150 2.493 -15.695 199 HE2 MET 25 1HE MET 25 18.900 1.779 -17.288 200 HE3 MET 25 2HE MET 25 19.473 3.441 -17.147 201 H LYS 26 H LYS 26 18.604 5.947 -12.069 202 HA LYS 26 HA LYS 26 20.399 7.987 -13.155 203 HB2 LYS 26 1HB LYS 26 18.864 8.227 -10.565 204 HB3 LYS 26 2HB LYS 26 20.262 9.219 -10.958 205 HG2 LYS 26 1HG LYS 26 19.132 10.451 -12.502 206 HG3 LYS 26 2HG LYS 26 18.034 9.132 -12.915 207 HD2 LYS 26 1HD LYS 26 17.783 10.084 -10.156 208 HD3 LYS 26 2HD LYS 26 17.389 11.297 -11.376 209 HE2 LYS 26 1HE LYS 26 16.114 9.097 -12.354 210 HE3 LYS 26 2HE LYS 26 15.968 8.844 -10.615 211 HZ1 LYS 26 3HZ LYS 26 14.344 10.405 -12.119 212 HZ2 LYS 26 1HZ LYS 26 15.390 11.539 -11.424 213 HZ3 LYS 26 2HZ LYS 26 14.500 10.493 -10.437 214 H LYS 27 H LYS 27 22.444 8.086 -12.136 215 HA LYS 27 HA LYS 27 23.573 5.666 -11.413 216 HB2 LYS 27 1HB LYS 27 25.446 7.101 -10.452 217 HB3 LYS 27 2HB LYS 27 25.036 7.369 -12.141 218 HG2 LYS 27 1HG LYS 27 23.553 9.074 -10.294 219 HG3 LYS 27 2HG LYS 27 25.302 9.311 -10.242 220 HD2 LYS 27 1HD LYS 27 24.952 9.243 -12.896 221 HD3 LYS 27 2HD LYS 27 23.368 9.857 -12.417 222 HE2 LYS 27 1HE LYS 27 24.554 11.605 -11.071 223 HE3 LYS 27 2HE LYS 27 26.065 11.049 -11.789 224 HZ1 LYS 27 3HZ LYS 27 24.572 12.992 -12.821 225 HZ2 LYS 27 1HZ LYS 27 23.933 11.668 -13.658 226 HZ3 LYS 27 2HZ LYS 27 25.587 12.008 -13.750 227 H GLY 28 H GLY 28 22.732 4.486 -9.779 228 HA2 GLY 28 1HA GLY 28 23.019 3.980 -7.437 229 HA3 GLY 28 2HA GLY 28 22.852 5.695 -7.094 230 H ASP 29 H ASP 29 20.687 4.394 -9.410 231 HA ASP 29 HA ASP 29 18.491 4.703 -7.501 232 HB2 ASP 29 1HB ASP 29 18.734 4.844 -10.471 233 HB3 ASP 29 2HB ASP 29 17.183 4.363 -9.789 234 H ILE 30 H ILE 30 16.551 3.168 -8.090 235 HA ILE 30 HA ILE 30 17.452 0.456 -8.672 236 HB ILE 30 HB ILE 30 15.958 1.088 -6.126 237 HG12 ILE 30 1HG1 ILE 30 18.847 0.271 -6.512 238 HG13 ILE 30 2HG1 ILE 30 18.291 1.864 -6.010 239 HG21 ILE 30 1HG2 ILE 30 17.243 -1.492 -6.290 240 HG22 ILE 30 2HG2 ILE 30 15.562 -1.093 -5.943 241 HG23 ILE 30 3HG2 ILE 30 16.101 -1.257 -7.614 242 HD11 ILE 30 3HD1 ILE 30 19.050 0.678 -4.088 243 HD12 ILE 30 1HD1 ILE 30 17.294 0.808 -3.996 244 HD13 ILE 30 2HD1 ILE 30 18.042 -0.713 -4.484 245 H LEU 31 H LEU 31 15.982 -0.657 -9.802 246 HA LEU 31 HA LEU 31 13.192 0.281 -9.770 247 HB2 LEU 31 1HB LEU 31 14.891 -0.467 -12.136 248 HB3 LEU 31 2HB LEU 31 13.132 -0.378 -12.209 249 HG LEU 31 HG LEU 31 13.964 1.644 -13.118 250 HD11 LEU 31 1HD1 LEU 31 12.846 3.218 -11.834 251 HD12 LEU 31 2HD1 LEU 31 13.321 2.465 -10.313 252 HD13 LEU 31 3HD1 LEU 31 12.103 1.699 -11.332 253 HD21 LEU 31 3HD2 LEU 31 16.137 1.230 -11.440 254 HD22 LEU 31 1HD2 LEU 31 15.390 2.710 -10.838 255 HD23 LEU 31 2HD2 LEU 31 15.886 2.596 -12.527 256 H THR 32 H THR 32 11.597 -1.288 -10.027 257 HA THR 32 HA THR 32 12.397 -3.951 -9.224 258 HB THR 32 HB THR 32 9.557 -3.474 -9.869 259 HG1 THR 32 HG1 THR 32 9.658 -1.545 -8.941 260 HG21 THR 32 3HG2 THR 32 10.879 -5.357 -8.486 261 HG22 THR 32 1HG2 THR 32 9.201 -4.927 -8.159 262 HG23 THR 32 2HG2 THR 32 10.493 -4.248 -7.170 263 H LEU 33 H LEU 33 12.731 -5.585 -10.573 264 HA LEU 33 HA LEU 33 12.248 -5.307 -13.385 265 HB2 LEU 33 1HB LEU 33 14.221 -6.462 -12.511 266 HB3 LEU 33 2HB LEU 33 13.182 -7.687 -11.786 267 HG LEU 33 HG LEU 33 14.400 -8.234 -13.987 268 HD11 LEU 33 1HD1 LEU 33 12.788 -9.806 -14.495 269 HD12 LEU 33 2HD1 LEU 33 11.454 -8.709 -14.140 270 HD13 LEU 33 3HD1 LEU 33 12.398 -9.404 -12.823 271 HD21 LEU 33 3HD2 LEU 33 13.354 -5.959 -14.904 272 HD22 LEU 33 1HD2 LEU 33 12.060 -7.062 -15.372 273 HD23 LEU 33 2HD2 LEU 33 13.704 -7.335 -15.951 274 H LEU 34 H LEU 34 10.599 -6.060 -14.568 275 HA LEU 34 HA LEU 34 8.569 -7.692 -13.194 276 HB2 LEU 34 1HB LEU 34 8.314 -5.651 -15.389 277 HB3 LEU 34 2HB LEU 34 7.012 -6.754 -14.946 278 HG LEU 34 HG LEU 34 8.229 -4.604 -13.215 279 HD11 LEU 34 1HD1 LEU 34 6.782 -3.479 -14.593 280 HD12 LEU 34 2HD1 LEU 34 5.696 -3.949 -13.286 281 HD13 LEU 34 3HD1 LEU 34 5.714 -4.868 -14.791 282 HD21 LEU 34 3HD2 LEU 34 6.270 -5.296 -11.704 283 HD22 LEU 34 1HD2 LEU 34 7.719 -6.301 -11.701 284 HD23 LEU 34 2HD2 LEU 34 6.294 -6.812 -12.605 285 H ASN 35 H ASN 35 10.309 -7.209 -16.228 286 HA ASN 35 HA ASN 35 9.898 -10.029 -16.861 287 HB2 ASN 35 1HB ASN 35 8.717 -7.786 -18.335 288 HB3 ASN 35 2HB ASN 35 9.643 -8.886 -19.352 289 HD21 ASN 35 2HD2 ASN 35 9.098 -11.170 -19.229 290 HD22 ASN 35 1HD2 ASN 35 7.459 -11.622 -18.922 291 H SER 36 H SER 36 11.760 -10.930 -17.430 292 HA SER 36 HA SER 36 13.870 -9.201 -18.549 293 HB2 SER 36 1HB SER 36 15.509 -10.704 -17.412 294 HB3 SER 36 2HB SER 36 14.478 -9.821 -16.287 295 HG SER 36 HG SER 36 14.264 -12.534 -17.078 296 H THR 37 H THR 37 11.854 -10.816 -19.938 297 HA THR 37 HA THR 37 12.797 -13.248 -20.884 298 HB THR 37 HB THR 37 10.543 -12.453 -21.382 299 HG1 THR 37 HG1 THR 37 11.753 -13.943 -22.842 300 HG21 THR 37 3HG2 THR 37 10.037 -10.637 -22.727 301 HG22 THR 37 1HG2 THR 37 11.614 -10.648 -23.514 302 HG23 THR 37 2HG2 THR 37 11.458 -10.056 -21.860 303 H ASN 38 H ASN 38 13.841 -10.024 -21.622 304 HA ASN 38 HA ASN 38 15.491 -11.001 -23.844 305 HB2 ASN 38 1HB ASN 38 13.952 -8.798 -23.779 306 HB3 ASN 38 2HB ASN 38 15.450 -8.113 -23.155 307 HD21 ASN 38 2HD2 ASN 38 14.128 -10.019 -25.815 308 HD22 ASN 38 1HD2 ASN 38 15.243 -9.454 -27.008 309 H LYS 39 H LYS 39 17.684 -9.774 -23.965 310 HA LYS 39 HA LYS 39 18.937 -9.914 -21.301 311 HB2 LYS 39 1HB LYS 39 20.274 -10.470 -23.952 312 HB3 LYS 39 2HB LYS 39 20.955 -10.717 -22.350 313 HG2 LYS 39 1HG LYS 39 19.130 -12.397 -21.948 314 HG3 LYS 39 2HG LYS 39 18.730 -12.254 -23.661 315 HD2 LYS 39 1HD LYS 39 20.159 -14.101 -23.566 316 HD3 LYS 39 2HD LYS 39 21.208 -12.777 -24.080 317 HE2 LYS 39 1HE LYS 39 22.340 -12.725 -22.100 318 HE3 LYS 39 2HE LYS 39 20.951 -13.279 -21.166 319 HZ1 LYS 39 3HZ LYS 39 22.952 -14.843 -22.626 320 HZ2 LYS 39 1HZ LYS 39 21.383 -15.464 -22.512 321 HZ3 LYS 39 2HZ LYS 39 22.261 -15.125 -21.108 322 H ASP 40 H ASP 40 18.526 -8.089 -24.215 323 HA ASP 40 HA ASP 40 20.652 -6.224 -23.655 324 HB2 ASP 40 1HB ASP 40 18.370 -5.989 -25.627 325 HB3 ASP 40 2HB ASP 40 19.832 -5.008 -25.600 326 H TRP 41 H TRP 41 17.093 -6.031 -23.701 327 HA TRP 41 HA TRP 41 17.295 -3.806 -21.779 328 HB2 TRP 41 1HB TRP 41 15.117 -4.170 -23.844 329 HB3 TRP 41 2HB TRP 41 15.333 -2.797 -22.762 330 HD1 TRP 41 HD1 TRP 41 16.880 -4.398 -25.897 331 HE1 TRP 41 HE1 TRP 41 18.274 -2.611 -27.116 332 HE3 TRP 41 HE3 TRP 41 16.575 -0.637 -22.447 333 HZ2 TRP 41 HZ2 TRP 41 19.132 0.041 -26.674 334 HZ3 TRP 41 HZ3 TRP 41 17.711 1.493 -22.922 335 HH2 TRP 41 HH2 TRP 41 18.963 1.823 -24.992 336 H TRP 42 H TRP 42 15.964 -3.839 -20.016 337 HA TRP 42 HA TRP 42 14.258 -6.225 -19.717 338 HB2 TRP 42 1HB TRP 42 15.810 -4.760 -17.571 339 HB3 TRP 42 2HB TRP 42 14.758 -6.148 -17.307 340 HD1 TRP 42 HD1 TRP 42 15.989 -7.589 -20.092 341 HE1 TRP 42 HE1 TRP 42 18.236 -8.814 -19.824 342 HE3 TRP 42 HE3 TRP 42 17.608 -5.379 -15.776 343 HZ2 TRP 42 HZ2 TRP 42 20.408 -8.841 -18.021 344 HZ3 TRP 42 HZ3 TRP 42 19.781 -6.062 -14.845 345 HH2 TRP 42 HH2 TRP 42 21.150 -7.757 -15.945 346 H LYS 43 H LYS 43 12.293 -6.000 -18.611 347 HA LYS 43 HA LYS 43 11.206 -3.289 -18.697 348 HB2 LYS 43 1HB LYS 43 9.969 -5.047 -19.872 349 HB3 LYS 43 2HB LYS 43 9.827 -5.962 -18.376 350 HG2 LYS 43 1HG LYS 43 7.767 -4.943 -18.537 351 HG3 LYS 43 2HG LYS 43 8.648 -3.843 -17.474 352 HD2 LYS 43 1HD LYS 43 8.166 -2.194 -18.887 353 HD3 LYS 43 2HD LYS 43 9.197 -2.982 -20.084 354 HE2 LYS 43 1HE LYS 43 6.228 -3.321 -19.699 355 HE3 LYS 43 2HE LYS 43 7.059 -2.615 -21.084 356 HZ1 LYS 43 3HZ LYS 43 6.928 -5.452 -20.274 357 HZ2 LYS 43 1HZ LYS 43 8.138 -4.892 -21.316 358 HZ3 LYS 43 2HZ LYS 43 6.512 -4.758 -21.759 359 H VAL 44 H VAL 44 10.846 -2.129 -16.925 360 HA VAL 44 HA VAL 44 10.554 -3.518 -14.349 361 HB VAL 44 HB VAL 44 11.879 -1.725 -13.260 362 HG11 VAL 44 1HG1 VAL 44 14.022 -2.575 -14.866 363 HG12 VAL 44 2HG1 VAL 44 13.465 -3.277 -13.346 364 HG13 VAL 44 3HG1 VAL 44 12.840 -3.883 -14.881 365 HG21 VAL 44 3HG2 VAL 44 13.250 -0.235 -14.554 366 HG22 VAL 44 1HG2 VAL 44 12.708 -0.976 -16.060 367 HG23 VAL 44 2HG2 VAL 44 11.576 -0.050 -15.075 368 H GLU 45 H GLU 45 9.696 -2.010 -12.630 369 HA GLU 45 HA GLU 45 7.691 -0.213 -13.827 370 HB2 GLU 45 1HB GLU 45 6.575 -2.064 -12.818 371 HB3 GLU 45 2HB GLU 45 7.562 -1.953 -11.367 372 HG2 GLU 45 1HG GLU 45 5.864 0.367 -12.130 373 HG3 GLU 45 2HG GLU 45 5.105 -1.051 -11.409 374 H VAL 46 H VAL 46 7.730 1.867 -13.273 375 HA VAL 46 HA VAL 46 9.380 2.655 -10.959 376 HB VAL 46 HB VAL 46 9.907 4.724 -12.079 377 HG11 VAL 46 1HG1 VAL 46 10.458 2.983 -14.359 378 HG12 VAL 46 2HG1 VAL 46 11.570 3.814 -13.270 379 HG13 VAL 46 3HG1 VAL 46 10.868 2.265 -12.802 380 HG21 VAL 46 3HG2 VAL 46 9.174 5.157 -14.392 381 HG22 VAL 46 1HG2 VAL 46 8.156 3.718 -14.320 382 HG23 VAL 46 2HG2 VAL 46 7.821 5.088 -13.262 383 H LYS 47 H LYS 47 8.761 4.942 -10.183 384 HA LYS 47 HA LYS 47 5.830 5.034 -9.925 385 HB2 LYS 47 1HB LYS 47 8.064 5.655 -8.037 386 HB3 LYS 47 2HB LYS 47 6.536 6.504 -7.853 387 HG2 LYS 47 1HG LYS 47 5.368 4.385 -7.609 388 HG3 LYS 47 2HG LYS 47 6.885 3.512 -7.838 389 HD2 LYS 47 1HD LYS 47 6.685 3.545 -5.533 390 HD3 LYS 47 2HD LYS 47 7.710 4.951 -5.835 391 HE2 LYS 47 1HE LYS 47 6.068 6.436 -5.284 392 HE3 LYS 47 2HE LYS 47 4.770 5.366 -5.812 393 HZ1 LYS 47 3HZ LYS 47 4.605 4.438 -3.794 394 HZ2 LYS 47 1HZ LYS 47 5.390 5.836 -3.252 395 HZ3 LYS 47 2HZ LYS 47 6.276 4.423 -3.530 396 H ALA 48 H ALA 48 4.774 7.063 -9.942 397 HA ALA 48 HA ALA 48 6.327 9.377 -10.818 398 HB1 ALA 48 1HB ALA 48 4.665 9.802 -12.650 399 HB2 ALA 48 2HB ALA 48 5.737 8.426 -12.916 400 HB3 ALA 48 3HB ALA 48 4.072 8.160 -12.398 401 H THR 49 H THR 49 5.109 11.390 -10.719 402 HA THR 49 HA THR 49 2.645 11.293 -9.143 403 HB THR 49 HB THR 49 4.859 13.158 -8.318 404 HG1 THR 49 HG1 THR 49 5.588 10.988 -8.044 405 HG21 THR 49 3HG2 THR 49 2.197 12.335 -7.262 406 HG22 THR 49 1HG2 THR 49 2.932 13.935 -7.338 407 HG23 THR 49 2HG2 THR 49 3.457 12.781 -6.112 408 H ALA 50 H ALA 50 1.194 12.543 -10.102 409 HA ALA 50 HA ALA 50 2.057 15.081 -11.296 410 HB1 ALA 50 1HB ALA 50 0.598 12.860 -12.657 411 HB2 ALA 50 2HB ALA 50 0.280 14.531 -13.124 412 HB3 ALA 50 3HB ALA 50 1.912 13.874 -13.253 413 H ASN 51 H ASN 51 0.722 16.759 -10.906 414 HA ASN 51 HA ASN 51 -0.949 17.970 -9.949 415 HB2 ASN 51 1HB ASN 51 -2.848 15.711 -10.516 416 HB3 ASN 51 2HB ASN 51 -3.138 17.446 -10.595 417 HD21 ASN 51 2HD2 ASN 51 -2.425 14.678 -12.337 418 HD22 ASN 51 1HD2 ASN 51 -2.012 15.419 -13.842 419 H GLY 52 H GLY 52 0.530 15.922 -8.348 420 HA2 GLY 52 1HA GLY 52 0.503 15.653 -6.016 421 HA3 GLY 52 2HA GLY 52 -1.206 16.058 -6.011 422 H LYS 53 H LYS 53 -1.295 13.995 -8.370 423 HA LYS 53 HA LYS 53 -1.955 11.757 -6.634 424 HB2 LYS 53 1HB LYS 53 -2.681 12.632 -9.354 425 HB3 LYS 53 2HB LYS 53 -2.524 10.892 -9.155 426 HG2 LYS 53 1HG LYS 53 -4.817 11.606 -8.814 427 HG3 LYS 53 2HG LYS 53 -4.136 10.948 -7.324 428 HD2 LYS 53 1HD LYS 53 -5.366 12.925 -6.767 429 HD3 LYS 53 2HD LYS 53 -3.646 13.289 -6.604 430 HE2 LYS 53 1HE LYS 53 -4.733 15.127 -7.709 431 HE3 LYS 53 2HE LYS 53 -3.696 14.298 -8.867 432 HZ1 LYS 53 3HZ LYS 53 -5.499 13.408 -9.973 433 HZ2 LYS 53 1HZ LYS 53 -6.070 14.946 -9.561 434 HZ3 LYS 53 2HZ LYS 53 -6.550 13.597 -8.662 435 H THR 54 H THR 54 -0.804 9.933 -6.451 436 HA THR 54 HA THR 54 1.655 9.712 -8.037 437 HB THR 54 HB THR 54 2.052 7.828 -6.210 438 HG1 THR 54 HG1 THR 54 0.447 9.671 -4.760 439 HG21 THR 54 3HG2 THR 54 3.513 9.721 -6.479 440 HG22 THR 54 1HG2 THR 54 3.116 9.564 -4.768 441 HG23 THR 54 2HG2 THR 54 2.325 10.799 -5.748 442 H TYR 55 H TYR 55 1.940 8.129 -9.478 443 HA TYR 55 HA TYR 55 0.309 5.710 -9.326 444 HB2 TYR 55 1HB TYR 55 -0.462 5.857 -11.589 445 HB3 TYR 55 2HB TYR 55 -0.879 7.370 -10.793 446 HD1 TYR 55 HD1 TYR 55 0.399 9.430 -11.306 447 HD2 TYR 55 HD2 TYR 55 1.056 5.804 -13.433 448 HE1 TYR 55 HE1 TYR 55 1.553 10.686 -13.078 449 HE2 TYR 55 HE2 TYR 55 2.213 7.050 -15.210 450 HH TYR 55 HH TYR 55 2.182 9.457 -16.090 451 H GLU 56 H GLU 56 1.214 3.912 -10.341 452 HA GLU 56 HA GLU 56 4.070 4.183 -10.918 453 HB2 GLU 56 1HB GLU 56 2.314 1.896 -10.091 454 HB3 GLU 56 2HB GLU 56 3.871 1.583 -10.845 455 HG2 GLU 56 1HG GLU 56 4.978 2.874 -9.086 456 HG3 GLU 56 2HG GLU 56 3.415 3.167 -8.326 457 H ARG 57 H ARG 57 5.014 3.442 -12.803 458 HA ARG 57 HA ARG 57 3.236 2.478 -14.926 459 HB2 ARG 57 1HB ARG 57 4.128 4.041 -16.534 460 HB3 ARG 57 2HB ARG 57 3.485 4.938 -15.165 461 HG2 ARG 57 1HG ARG 57 5.420 6.037 -15.195 462 HG3 ARG 57 2HG ARG 57 6.107 4.587 -14.460 463 HD2 ARG 57 1HD ARG 57 7.518 4.883 -16.248 464 HD3 ARG 57 2HD ARG 57 6.319 3.792 -16.942 465 HE ARG 57 HE ARG 57 5.644 5.475 -18.346 466 HH11 ARG 57 1HH1 ARG 57 7.645 6.804 -15.827 467 HH12 ARG 57 2HH1 ARG 57 7.759 8.368 -16.562 468 HH21 ARG 57 1HH2 ARG 57 5.785 7.531 -19.324 469 HH22 ARG 57 2HH2 ARG 57 6.699 8.781 -18.551 470 H GLN 58 H GLN 58 4.221 1.182 -16.479 471 HA GLN 58 HA GLN 58 6.790 0.071 -15.656 472 HB2 GLN 58 1HB GLN 58 4.865 -0.927 -17.761 473 HB3 GLN 58 2HB GLN 58 6.258 -1.791 -17.125 474 HG2 GLN 58 1HG GLN 58 5.240 -2.168 -15.066 475 HG3 GLN 58 2HG GLN 58 4.037 -0.906 -15.327 476 HE21 GLN 58 2HE2 GLN 58 5.109 -3.622 -17.334 477 HE22 GLN 58 1HE2 GLN 58 3.547 -4.339 -17.503 478 H GLY 59 H GLY 59 8.397 -0.487 -17.322 479 HA2 GLY 59 1HA GLY 59 8.338 0.758 -19.883 480 HA3 GLY 59 2HA GLY 59 9.282 1.712 -18.748 481 H PHE 60 H PHE 60 10.758 0.992 -20.708 482 HA PHE 60 HA PHE 60 12.096 -1.520 -19.954 483 HB2 PHE 60 1HB PHE 60 12.173 -0.026 -22.584 484 HB3 PHE 60 2HB PHE 60 13.041 -1.518 -22.235 485 HD1 PHE 60 HD1 PHE 60 9.781 -0.022 -22.928 486 HD2 PHE 60 HD2 PHE 60 11.878 -3.631 -22.093 487 HE1 PHE 60 HE1 PHE 60 7.826 -1.324 -23.660 488 HE2 PHE 60 HE2 PHE 60 9.926 -4.938 -22.825 489 HZ PHE 60 HZ PHE 60 7.897 -3.785 -23.611 490 H VAL 61 H VAL 61 14.377 -1.571 -19.844 491 HA VAL 61 HA VAL 61 15.782 0.991 -19.880 492 HB VAL 61 HB VAL 61 16.796 0.632 -17.697 493 HG11 VAL 61 1HG1 VAL 61 13.782 0.572 -17.673 494 HG12 VAL 61 2HG1 VAL 61 14.784 0.997 -16.284 495 HG13 VAL 61 3HG1 VAL 61 14.820 1.996 -17.738 496 HG21 VAL 61 3HG2 VAL 61 15.988 -1.123 -16.195 497 HG22 VAL 61 1HG2 VAL 61 14.957 -1.750 -17.481 498 HG23 VAL 61 2HG2 VAL 61 16.711 -1.809 -17.650 499 HA PRO 62 HA PRO 62 19.057 -1.365 -21.617 500 HB2 PRO 62 1HB PRO 62 21.204 0.097 -20.828 501 HB3 PRO 62 2HB PRO 62 20.082 0.638 -22.081 502 HG2 PRO 62 1HG PRO 62 20.200 1.397 -19.187 503 HG3 PRO 62 2HG PRO 62 19.937 2.430 -20.605 504 HD2 PRO 62 1HD PRO 62 17.910 1.589 -19.018 505 HD3 PRO 62 2HD PRO 62 17.708 1.862 -20.760 506 H ALA 63 H ALA 63 19.492 -3.323 -20.798 507 HA ALA 63 HA ALA 63 20.002 -3.884 -18.088 508 HB1 ALA 63 1HB ALA 63 19.152 -5.611 -19.496 509 HB2 ALA 63 2HB ALA 63 20.542 -5.493 -20.576 510 HB3 ALA 63 3HB ALA 63 20.748 -6.114 -18.938 511 H ALA 64 H ALA 64 21.998 -2.555 -20.478 512 HA ALA 64 HA ALA 64 24.502 -3.572 -19.503 513 HB1 ALA 64 1HB ALA 64 25.503 -1.909 -21.025 514 HB2 ALA 64 2HB ALA 64 24.306 -2.929 -21.825 515 HB3 ALA 64 3HB ALA 64 23.891 -1.278 -21.363 516 H TYR 65 H TYR 65 22.392 -0.980 -18.679 517 HA TYR 65 HA TYR 65 24.493 0.329 -17.098 518 HB2 TYR 65 1HB TYR 65 21.727 1.316 -17.822 519 HB3 TYR 65 2HB TYR 65 22.937 2.224 -16.922 520 HD1 TYR 65 HD2 TYR 65 25.231 1.040 -18.778 521 HD2 TYR 65 HD1 TYR 65 21.583 3.112 -19.487 522 HE1 TYR 65 HE2 TYR 65 26.145 1.915 -20.887 523 HE2 TYR 65 HE1 TYR 65 22.487 3.992 -21.599 524 HH TYR 65 HH TYR 65 24.847 2.811 -23.222 525 H VAL 66 H VAL 66 21.584 -1.524 -16.873 526 HA VAL 66 HA VAL 66 21.573 -1.170 -13.947 527 HB VAL 66 HB VAL 66 19.251 -1.761 -13.911 528 HG11 VAL 66 1HG1 VAL 66 18.792 0.004 -16.100 529 HG12 VAL 66 2HG1 VAL 66 18.743 0.350 -14.370 530 HG13 VAL 66 3HG1 VAL 66 20.257 0.510 -15.261 531 HG21 VAL 66 3HG2 VAL 66 19.658 -2.403 -16.817 532 HG22 VAL 66 1HG2 VAL 66 19.032 -3.440 -15.534 533 HG23 VAL 66 2HG2 VAL 66 18.056 -2.103 -16.143 534 H LYS 67 H LYS 67 21.399 -2.990 -12.625 535 HA LYS 67 HA LYS 67 21.471 -5.627 -13.860 536 HB2 LYS 67 1HB LYS 67 23.806 -5.143 -13.816 537 HB3 LYS 67 2HB LYS 67 23.707 -4.488 -12.186 538 HG2 LYS 67 1HG LYS 67 23.631 -6.560 -11.208 539 HG3 LYS 67 2HG LYS 67 22.956 -7.333 -12.645 540 HD2 LYS 67 1HD LYS 67 25.153 -8.114 -12.582 541 HD3 LYS 67 2HD LYS 67 25.220 -6.786 -13.743 542 HE2 LYS 67 1HE LYS 67 25.819 -6.358 -10.834 543 HE3 LYS 67 2HE LYS 67 27.056 -6.931 -11.952 544 HZ1 LYS 67 3HZ LYS 67 25.830 -4.756 -13.159 545 HZ2 LYS 67 1HZ LYS 67 27.396 -4.835 -12.524 546 HZ3 LYS 67 2HZ LYS 67 26.117 -4.301 -11.555 547 H LYS 68 H LYS 68 20.647 -7.223 -12.581 548 HA LYS 68 HA LYS 68 18.968 -6.544 -10.456 549 HB2 LYS 68 1HB LYS 68 18.617 -8.896 -10.154 550 HB3 LYS 68 2HB LYS 68 18.783 -8.593 -11.878 551 HG2 LYS 68 1HG LYS 68 21.277 -9.201 -11.478 552 HG3 LYS 68 2HG LYS 68 20.664 -9.959 -10.007 553 HD2 LYS 68 1HD LYS 68 20.673 -11.664 -11.633 554 HD3 LYS 68 2HD LYS 68 18.988 -11.152 -11.502 555 HE2 LYS 68 1HE LYS 68 19.499 -9.590 -13.459 556 HE3 LYS 68 2HE LYS 68 20.975 -10.531 -13.670 557 HZ1 LYS 68 3HZ LYS 68 18.637 -12.170 -13.417 558 HZ2 LYS 68 1HZ LYS 68 19.848 -12.192 -14.598 559 HZ3 LYS 68 2HZ LYS 68 18.548 -11.120 -14.740 560 H LEU 69 H LEU 69 19.104 -6.871 -8.224 561 HA LEU 69 HA LEU 69 21.721 -6.463 -7.115 562 HB2 LEU 69 1HB LEU 69 18.951 -6.620 -5.994 563 HB3 LEU 69 2HB LEU 69 20.350 -6.629 -4.923 564 HG LEU 69 HG LEU 69 19.458 -4.400 -5.053 565 HD11 LEU 69 1HD1 LEU 69 22.061 -5.031 -5.387 566 HD12 LEU 69 2HD1 LEU 69 21.460 -3.386 -5.189 567 HD13 LEU 69 3HD1 LEU 69 21.790 -4.015 -6.803 568 HD21 LEU 69 3HD2 LEU 69 19.875 -4.584 -8.035 569 HD22 LEU 69 1HD2 LEU 69 19.312 -3.171 -7.141 570 HD23 LEU 69 2HD2 LEU 69 18.314 -4.624 -7.213 571 H ASP 70 H ASP 70 20.110 -9.181 -8.065 572 HA ASP 70 HA ASP 70 20.992 -10.900 -5.895 573 HB2 ASP 70 1HB ASP 70 18.803 -11.174 -7.209 574 HB3 ASP 70 2HB ASP 70 19.805 -11.815 -8.508 Start of MODEL 6 1 H1 MET 1 H MET 1 6.781 1.503 3.225 2 HA MET 1 HA MET 1 6.694 2.154 0.373 3 HB2 MET 1 1HB MET 1 9.134 2.519 0.331 4 HB3 MET 1 2HB MET 1 8.297 3.723 1.301 5 HG2 MET 1 1HG MET 1 9.316 1.342 2.720 6 HG3 MET 1 2HG MET 1 10.511 2.482 2.106 7 HE1 MET 1 3HE MET 1 9.846 5.555 2.970 8 HE2 MET 1 1HE MET 1 10.725 5.148 4.444 9 HE3 MET 1 2HE MET 1 11.165 4.384 2.916 10 H ASP 2 H ASP 2 5.836 -0.199 1.564 11 HA ASP 2 HA ASP 2 7.997 -2.124 1.079 12 HB2 ASP 2 1HB ASP 2 5.265 -2.638 2.270 13 HB3 ASP 2 2HB ASP 2 6.632 -3.749 2.240 14 H GLU 3 H GLU 3 6.554 -0.672 -1.042 15 HA GLU 3 HA GLU 3 5.046 -2.828 -2.330 16 HB2 GLU 3 1HB GLU 3 4.463 -1.051 -4.006 17 HB3 GLU 3 2HB GLU 3 3.891 -0.739 -2.373 18 HG2 GLU 3 1HG GLU 3 5.719 0.809 -2.000 19 HG3 GLU 3 2HG GLU 3 6.359 0.465 -3.607 20 H THR 4 H THR 4 7.956 -2.896 -2.022 21 HA THR 4 HA THR 4 8.614 -3.560 -4.744 22 HB THR 4 HB THR 4 10.824 -2.139 -4.457 23 HG1 THR 4 HG1 THR 4 10.308 -1.227 -2.454 24 HG21 THR 4 3HG2 THR 4 9.959 -0.582 -5.973 25 HG22 THR 4 1HG2 THR 4 8.350 -0.634 -5.253 26 HG23 THR 4 2HG2 THR 4 8.935 -1.999 -6.205 27 H GLY 5 H GLY 5 9.645 -5.437 -4.604 28 HA2 GLY 5 1HA GLY 5 11.991 -5.868 -3.137 29 HA3 GLY 5 2HA GLY 5 10.648 -6.497 -2.195 30 H LYS 6 H LYS 6 9.123 -7.243 -4.595 31 HA LYS 6 HA LYS 6 9.823 -9.899 -4.828 32 HB2 LYS 6 1HB LYS 6 8.146 -10.075 -6.386 33 HB3 LYS 6 2HB LYS 6 7.718 -8.534 -5.654 34 HG2 LYS 6 1HG LYS 6 9.375 -8.787 -8.151 35 HG3 LYS 6 2HG LYS 6 7.621 -8.588 -8.148 36 HD2 LYS 6 1HD LYS 6 9.217 -6.660 -6.555 37 HD3 LYS 6 2HD LYS 6 9.299 -6.523 -8.313 38 HE2 LYS 6 1HE LYS 6 6.772 -6.532 -6.664 39 HE3 LYS 6 2HE LYS 6 7.539 -5.103 -7.355 40 HZ1 LYS 6 3HZ LYS 6 7.182 -6.979 -9.398 41 HZ2 LYS 6 1HZ LYS 6 6.443 -5.467 -9.225 42 HZ3 LYS 6 2HZ LYS 6 5.715 -6.844 -8.566 43 H GLU 7 H GLU 7 11.088 -7.140 -6.539 44 HA GLU 7 HA GLU 7 13.421 -8.427 -7.361 45 HB2 GLU 7 1HB GLU 7 11.343 -9.269 -8.936 46 HB3 GLU 7 2HB GLU 7 11.977 -7.921 -9.869 47 HG2 GLU 7 1HG GLU 7 12.988 -10.013 -10.559 48 HG3 GLU 7 2HG GLU 7 14.190 -8.933 -9.856 49 H LEU 8 H LEU 8 14.872 -6.868 -7.644 50 HA LEU 8 HA LEU 8 14.053 -4.335 -8.862 51 HB2 LEU 8 1HB LEU 8 15.149 -4.734 -6.122 52 HB3 LEU 8 2HB LEU 8 15.625 -3.297 -7.023 53 HG LEU 8 HG LEU 8 12.721 -3.877 -6.814 54 HD11 LEU 8 1HD1 LEU 8 14.021 -2.453 -4.544 55 HD12 LEU 8 2HD1 LEU 8 13.949 -4.215 -4.525 56 HD13 LEU 8 3HD1 LEU 8 12.461 -3.273 -4.619 57 HD21 LEU 8 3HD2 LEU 8 13.709 -1.215 -6.202 58 HD22 LEU 8 1HD2 LEU 8 12.551 -1.740 -7.424 59 HD23 LEU 8 2HD2 LEU 8 14.281 -1.807 -7.762 60 H VAL 9 H VAL 9 15.852 -3.036 -9.617 61 HA VAL 9 HA VAL 9 18.358 -4.544 -9.948 62 HB VAL 9 HB VAL 9 18.537 -3.877 -12.260 63 HG11 VAL 9 1HG1 VAL 9 17.413 -5.710 -12.807 64 HG12 VAL 9 2HG1 VAL 9 16.577 -5.648 -11.254 65 HG13 VAL 9 3HG1 VAL 9 15.885 -4.842 -12.663 66 HG21 VAL 9 3HG2 VAL 9 16.262 -2.146 -11.551 67 HG22 VAL 9 1HG2 VAL 9 17.565 -1.893 -12.712 68 HG23 VAL 9 2HG2 VAL 9 16.181 -2.895 -13.146 69 H LEU 10 H LEU 10 20.238 -3.322 -10.081 70 HA LEU 10 HA LEU 10 19.992 -0.613 -9.029 71 HB2 LEU 10 1HB LEU 10 21.500 -2.044 -7.848 72 HB3 LEU 10 2HB LEU 10 22.333 -2.480 -9.338 73 HG LEU 10 HG LEU 10 23.276 -0.260 -9.508 74 HD11 LEU 10 1HD1 LEU 10 21.190 0.371 -7.605 75 HD12 LEU 10 2HD1 LEU 10 22.127 1.438 -8.650 76 HD13 LEU 10 3HD1 LEU 10 22.765 0.965 -7.075 77 HD21 LEU 10 3HD2 LEU 10 24.310 -2.047 -8.031 78 HD22 LEU 10 1HD2 LEU 10 23.648 -1.154 -6.662 79 HD23 LEU 10 2HD2 LEU 10 24.819 -0.384 -7.733 80 H ALA 11 H ALA 11 20.504 1.190 -10.129 81 HA ALA 11 HA ALA 11 21.105 0.919 -12.963 82 HB1 ALA 11 1HB ALA 11 20.886 3.582 -12.589 83 HB2 ALA 11 2HB ALA 11 19.516 2.513 -12.892 84 HB3 ALA 11 3HB ALA 11 19.915 2.988 -11.241 85 H LEU 12 H LEU 12 23.217 0.604 -13.362 86 HA LEU 12 HA LEU 12 25.315 1.693 -11.784 87 HB2 LEU 12 1HB LEU 12 25.532 0.665 -14.603 88 HB3 LEU 12 2HB LEU 12 26.805 0.749 -13.387 89 HG LEU 12 HG LEU 12 24.385 -1.031 -13.145 90 HD11 LEU 12 1HD1 LEU 12 25.307 -2.218 -14.801 91 HD12 LEU 12 2HD1 LEU 12 26.514 -2.677 -13.600 92 HD13 LEU 12 3HD1 LEU 12 26.836 -1.344 -14.708 93 HD21 LEU 12 3HD2 LEU 12 25.180 -1.589 -11.145 94 HD22 LEU 12 1HD2 LEU 12 26.284 -0.220 -11.283 95 HD23 LEU 12 2HD2 LEU 12 26.807 -1.828 -11.784 96 H TYR 13 H TYR 13 24.057 2.492 -15.014 97 HA TYR 13 HA TYR 13 25.372 5.119 -14.769 98 HB2 TYR 13 1HB TYR 13 24.816 3.581 -17.314 99 HB3 TYR 13 2HB TYR 13 25.588 5.159 -17.207 100 HD1 TYR 13 HD2 TYR 13 27.871 5.368 -16.322 101 HD2 TYR 13 HD1 TYR 13 26.027 1.564 -16.810 102 HE1 TYR 13 HE2 TYR 13 30.069 4.283 -16.120 103 HE2 TYR 13 HE1 TYR 13 28.220 0.469 -16.607 104 HH TYR 13 HH TYR 13 31.176 2.254 -16.644 105 H ASP 14 H ASP 14 24.132 6.884 -14.994 106 HA ASP 14 HA ASP 14 21.376 6.800 -14.773 107 HB2 ASP 14 1HB ASP 14 21.389 9.139 -15.020 108 HB3 ASP 14 2HB ASP 14 22.983 8.765 -14.368 109 H TYR 15 H TYR 15 19.760 7.703 -16.318 110 HA TYR 15 HA TYR 15 20.374 7.154 -19.127 111 HB2 TYR 15 1HB TYR 15 19.309 5.141 -17.852 112 HB3 TYR 15 2HB TYR 15 17.825 6.081 -17.964 113 HD1 TYR 15 HD1 TYR 15 20.642 5.159 -20.252 114 HD2 TYR 15 HD2 TYR 15 16.437 5.481 -19.694 115 HE1 TYR 15 HE1 TYR 15 20.281 4.304 -22.530 116 HE2 TYR 15 HE2 TYR 15 16.063 4.626 -21.970 117 HH TYR 15 HH TYR 15 17.005 3.790 -23.800 118 H GLN 16 H GLN 16 18.437 7.783 -20.535 119 HA GLN 16 HA GLN 16 16.811 9.915 -19.397 120 HB2 GLN 16 1HB GLN 16 19.188 10.437 -20.873 121 HB3 GLN 16 2HB GLN 16 17.820 10.902 -21.875 122 HG2 GLN 16 1HG GLN 16 17.842 12.826 -20.774 123 HG3 GLN 16 2HG GLN 16 17.170 11.934 -19.410 124 HE21 GLN 16 2HE2 GLN 16 18.294 11.868 -17.585 125 HE22 GLN 16 1HE2 GLN 16 19.935 12.377 -17.398 126 H GLU 17 H GLU 17 14.939 8.840 -19.853 127 HA GLU 17 HA GLU 17 14.317 7.331 -22.074 128 HB2 GLU 17 1HB GLU 17 11.925 7.936 -21.585 129 HB3 GLU 17 2HB GLU 17 12.832 7.321 -20.209 130 HG2 GLU 17 1HG GLU 17 11.584 9.126 -19.391 131 HG3 GLU 17 2HG GLU 17 13.231 9.729 -19.560 132 H LYS 18 H LYS 18 13.261 7.739 -24.033 133 HA LYS 18 HA LYS 18 13.354 10.544 -24.934 134 HB2 LYS 18 1HB LYS 18 13.802 9.549 -27.231 135 HB3 LYS 18 2HB LYS 18 15.119 9.456 -26.069 136 HG2 LYS 18 1HG LYS 18 13.267 7.149 -26.219 137 HG3 LYS 18 2HG LYS 18 14.387 7.392 -27.562 138 HD2 LYS 18 1HD LYS 18 16.112 7.700 -25.567 139 HD3 LYS 18 2HD LYS 18 14.933 6.690 -24.726 140 HE2 LYS 18 1HE LYS 18 16.476 5.183 -25.654 141 HE3 LYS 18 2HE LYS 18 15.082 5.129 -26.731 142 HZ1 LYS 18 3HZ LYS 18 16.229 6.626 -28.237 143 HZ2 LYS 18 1HZ LYS 18 17.156 5.237 -27.964 144 HZ3 LYS 18 2HZ LYS 18 17.564 6.690 -27.201 145 H SER 19 H SER 19 11.665 7.483 -24.996 146 HA SER 19 HA SER 19 9.429 8.773 -26.417 147 HB2 SER 19 1HB SER 19 10.488 5.986 -26.422 148 HB3 SER 19 2HB SER 19 8.748 6.203 -26.606 149 HG SER 19 HG SER 19 10.837 6.995 -28.296 150 HA PRO 20 HA PRO 20 6.798 8.402 -22.927 151 HB2 PRO 20 1HB PRO 20 4.435 7.674 -24.049 152 HB3 PRO 20 2HB PRO 20 5.119 9.295 -24.217 153 HG2 PRO 20 1HG PRO 20 5.193 6.999 -26.136 154 HG3 PRO 20 2HG PRO 20 4.890 8.717 -26.458 155 HD2 PRO 20 1HD PRO 20 7.293 7.552 -26.906 156 HD3 PRO 20 2HD PRO 20 7.132 9.250 -26.412 157 H ARG 21 H ARG 21 7.204 5.650 -25.004 158 HA ARG 21 HA ARG 21 5.972 3.850 -23.060 159 HB2 ARG 21 1HB ARG 21 5.854 3.789 -25.736 160 HB3 ARG 21 2HB ARG 21 7.289 2.799 -25.506 161 HG2 ARG 21 1HG ARG 21 5.593 1.237 -25.546 162 HG3 ARG 21 2HG ARG 21 5.832 1.496 -23.817 163 HD2 ARG 21 1HD ARG 21 3.471 1.480 -24.304 164 HD3 ARG 21 2HD ARG 21 3.960 3.109 -23.838 165 HE ARG 21 HE ARG 21 3.298 3.829 -25.895 166 HH11 ARG 21 1HH1 ARG 21 3.881 0.400 -26.058 167 HH12 ARG 21 2HH1 ARG 21 3.323 0.251 -27.691 168 HH21 ARG 21 1HH2 ARG 21 2.561 3.645 -28.045 169 HH22 ARG 21 2HH2 ARG 21 2.573 2.098 -28.821 170 H GLU 22 H GLU 22 8.532 5.313 -22.606 171 HA GLU 22 HA GLU 22 10.135 2.963 -21.890 172 HB2 GLU 22 1HB GLU 22 10.883 4.456 -23.996 173 HB3 GLU 22 2HB GLU 22 11.631 5.390 -22.708 174 HG2 GLU 22 1HG GLU 22 13.290 3.913 -23.403 175 HG3 GLU 22 2HG GLU 22 12.649 3.193 -21.927 176 H VAL 23 H VAL 23 11.780 3.462 -20.217 177 HA VAL 23 HA VAL 23 10.851 5.623 -18.438 178 HB VAL 23 HB VAL 23 11.757 4.141 -16.569 179 HG11 VAL 23 1HG1 VAL 23 9.646 2.591 -16.804 180 HG12 VAL 23 2HG1 VAL 23 9.471 4.324 -16.522 181 HG13 VAL 23 3HG1 VAL 23 9.276 3.670 -18.149 182 HG21 VAL 23 3HG2 VAL 23 11.289 1.847 -18.421 183 HG22 VAL 23 1HG2 VAL 23 12.868 2.632 -18.392 184 HG23 VAL 23 2HG2 VAL 23 12.214 1.910 -16.922 185 H THR 24 H THR 24 12.684 5.864 -16.610 186 HA THR 24 HA THR 24 15.332 5.899 -17.851 187 HB THR 24 HB THR 24 14.050 8.138 -18.171 188 HG1 THR 24 HG1 THR 24 16.278 7.937 -18.560 189 HG21 THR 24 3HG2 THR 24 13.359 8.173 -15.729 190 HG22 THR 24 1HG2 THR 24 14.059 9.663 -16.359 191 HG23 THR 24 2HG2 THR 24 15.033 8.586 -15.360 192 H MET 25 H MET 25 17.040 6.540 -16.249 193 HA MET 25 HA MET 25 16.295 6.040 -13.467 194 HB2 MET 25 1HB MET 25 18.633 4.575 -14.661 195 HB3 MET 25 2HB MET 25 17.800 4.264 -13.143 196 HG2 MET 25 1HG MET 25 16.928 2.571 -14.352 197 HG3 MET 25 2HG MET 25 15.772 3.824 -14.797 198 HE1 MET 25 3HE MET 25 19.595 3.593 -16.625 199 HE2 MET 25 1HE MET 25 19.107 2.350 -15.472 200 HE3 MET 25 2HE MET 25 19.133 1.990 -17.199 201 H LYS 26 H LYS 26 18.353 6.266 -12.046 202 HA LYS 26 HA LYS 26 19.963 8.505 -13.087 203 HB2 LYS 26 1HB LYS 26 18.179 9.012 -11.291 204 HB3 LYS 26 2HB LYS 26 19.259 8.180 -10.181 205 HG2 LYS 26 1HG LYS 26 21.011 9.776 -10.618 206 HG3 LYS 26 2HG LYS 26 20.023 10.569 -11.847 207 HD2 LYS 26 1HD LYS 26 19.040 10.296 -9.029 208 HD3 LYS 26 2HD LYS 26 20.140 11.602 -9.479 209 HE2 LYS 26 1HE LYS 26 18.508 12.173 -11.319 210 HE3 LYS 26 2HE LYS 26 17.388 11.039 -10.566 211 HZ1 LYS 26 3HZ LYS 26 18.031 13.713 -9.811 212 HZ2 LYS 26 1HZ LYS 26 18.236 12.642 -8.518 213 HZ3 LYS 26 2HZ LYS 26 16.745 12.735 -9.310 214 H LYS 27 H LYS 27 22.087 8.752 -12.107 215 HA LYS 27 HA LYS 27 23.578 6.397 -12.105 216 HB2 LYS 27 1HB LYS 27 25.384 7.835 -11.060 217 HB3 LYS 27 2HB LYS 27 24.711 8.425 -12.574 218 HG2 LYS 27 1HG LYS 27 23.340 9.431 -10.197 219 HG3 LYS 27 2HG LYS 27 25.037 9.904 -10.310 220 HD2 LYS 27 1HD LYS 27 23.489 10.142 -12.804 221 HD3 LYS 27 2HD LYS 27 23.002 11.232 -11.504 222 HE2 LYS 27 1HE LYS 27 25.165 12.184 -11.369 223 HE3 LYS 27 2HE LYS 27 25.865 10.913 -12.371 224 HZ1 LYS 27 3HZ LYS 27 24.649 13.356 -13.164 225 HZ2 LYS 27 1HZ LYS 27 23.884 12.042 -13.904 226 HZ3 LYS 27 2HZ LYS 27 25.551 12.262 -14.085 227 H GLY 28 H GLY 28 22.984 4.813 -10.701 228 HA2 GLY 28 1HA GLY 28 23.422 3.745 -8.640 229 HA3 GLY 28 2HA GLY 28 23.555 5.323 -7.878 230 H ASP 29 H ASP 29 20.881 4.589 -9.974 231 HA ASP 29 HA ASP 29 19.067 4.885 -7.709 232 HB2 ASP 29 1HB ASP 29 18.978 5.910 -10.234 233 HB3 ASP 29 2HB ASP 29 17.923 4.510 -10.399 234 H ILE 30 H ILE 30 16.917 3.523 -8.123 235 HA ILE 30 HA ILE 30 17.629 0.753 -8.770 236 HB ILE 30 HB ILE 30 16.151 1.517 -6.251 237 HG12 ILE 30 1HG1 ILE 30 18.962 0.434 -6.531 238 HG13 ILE 30 2HG1 ILE 30 18.575 2.120 -6.205 239 HG21 ILE 30 1HG2 ILE 30 15.626 -0.634 -6.024 240 HG22 ILE 30 2HG2 ILE 30 16.132 -0.846 -7.700 241 HG23 ILE 30 3HG2 ILE 30 17.273 -1.147 -6.389 242 HD11 ILE 30 3HD1 ILE 30 18.105 -0.262 -4.443 243 HD12 ILE 30 1HD1 ILE 30 19.128 1.141 -4.138 244 HD13 ILE 30 2HD1 ILE 30 17.373 1.314 -4.144 245 H LEU 31 H LEU 31 16.101 -0.288 -9.895 246 HA LEU 31 HA LEU 31 13.388 0.858 -9.944 247 HB2 LEU 31 1HB LEU 31 15.141 -0.030 -12.202 248 HB3 LEU 31 2HB LEU 31 13.387 -0.062 -12.363 249 HG LEU 31 HG LEU 31 14.266 1.946 -13.367 250 HD11 LEU 31 1HD1 LEU 31 12.168 1.866 -11.728 251 HD12 LEU 31 2HD1 LEU 31 12.685 3.343 -12.540 252 HD13 LEU 31 3HD1 LEU 31 13.144 3.054 -10.863 253 HD21 LEU 31 3HD2 LEU 31 15.259 2.952 -10.742 254 HD22 LEU 31 1HD2 LEU 31 15.722 3.420 -12.379 255 HD23 LEU 31 2HD2 LEU 31 16.290 1.892 -11.705 256 H THR 32 H THR 32 11.698 -0.554 -9.902 257 HA THR 32 HA THR 32 12.232 -3.211 -8.985 258 HB THR 32 HB THR 32 9.490 -2.403 -9.845 259 HG1 THR 32 HG1 THR 32 9.894 -0.564 -8.785 260 HG21 THR 32 3HG2 THR 32 10.032 -4.603 -8.764 261 HG22 THR 32 1HG2 THR 32 8.817 -3.648 -7.917 262 HG23 THR 32 2HG2 THR 32 10.471 -3.709 -7.309 263 H LEU 33 H LEU 33 12.695 -4.873 -10.255 264 HA LEU 33 HA LEU 33 12.245 -4.817 -13.077 265 HB2 LEU 33 1HB LEU 33 14.181 -5.925 -11.991 266 HB3 LEU 33 2HB LEU 33 13.077 -7.134 -11.337 267 HG LEU 33 HG LEU 33 14.439 -7.759 -13.404 268 HD11 LEU 33 1HD1 LEU 33 11.788 -8.315 -14.319 269 HD12 LEU 33 2HD1 LEU 33 11.840 -8.425 -12.560 270 HD13 LEU 33 3HD1 LEU 33 12.947 -9.391 -13.536 271 HD21 LEU 33 3HD2 LEU 33 13.934 -5.557 -14.541 272 HD22 LEU 33 1HD2 LEU 33 12.313 -6.186 -14.837 273 HD23 LEU 33 2HD2 LEU 33 13.716 -7.006 -15.523 274 H LEU 34 H LEU 34 10.378 -5.237 -14.035 275 HA LEU 34 HA LEU 34 8.361 -6.825 -12.643 276 HB2 LEU 34 1HB LEU 34 8.351 -4.787 -14.781 277 HB3 LEU 34 2HB LEU 34 7.126 -6.049 -14.900 278 HG LEU 34 HG LEU 34 6.360 -3.958 -13.780 279 HD11 LEU 34 1HD1 LEU 34 4.862 -5.244 -12.772 280 HD12 LEU 34 2HD1 LEU 34 6.041 -5.762 -11.568 281 HD13 LEU 34 3HD1 LEU 34 5.902 -6.631 -13.096 282 HD21 LEU 34 3HD2 LEU 34 7.088 -3.544 -11.480 283 HD22 LEU 34 1HD2 LEU 34 8.426 -3.392 -12.618 284 HD23 LEU 34 2HD2 LEU 34 8.276 -4.840 -11.622 285 H ASN 35 H ASN 35 10.256 -6.806 -15.613 286 HA ASN 35 HA ASN 35 9.849 -9.661 -15.889 287 HB2 ASN 35 1HB ASN 35 8.413 -7.746 -17.523 288 HB3 ASN 35 2HB ASN 35 9.453 -8.766 -18.512 289 HD21 ASN 35 2HD2 ASN 35 9.348 -11.158 -17.810 290 HD22 ASN 35 1HD2 ASN 35 7.755 -11.787 -17.586 291 H SER 36 H SER 36 11.648 -10.625 -16.605 292 HA SER 36 HA SER 36 13.667 -8.960 -17.959 293 HB2 SER 36 1HB SER 36 15.421 -10.142 -16.747 294 HB3 SER 36 2HB SER 36 14.294 -9.417 -15.602 295 HG SER 36 HG SER 36 13.261 -11.529 -15.541 296 H THR 37 H THR 37 11.723 -10.558 -19.256 297 HA THR 37 HA THR 37 12.553 -13.130 -19.944 298 HB THR 37 HB THR 37 11.096 -13.006 -21.821 299 HG1 THR 37 HG1 THR 37 11.073 -10.170 -21.544 300 HG21 THR 37 3HG2 THR 37 10.104 -12.769 -19.479 301 HG22 THR 37 1HG2 THR 37 9.069 -12.323 -20.834 302 HG23 THR 37 2HG2 THR 37 9.861 -11.069 -19.880 303 H ASN 38 H ASN 38 13.463 -9.994 -21.284 304 HA ASN 38 HA ASN 38 15.197 -11.262 -23.253 305 HB2 ASN 38 1HB ASN 38 13.693 -9.042 -23.450 306 HB3 ASN 38 2HB ASN 38 15.203 -8.313 -22.912 307 HD21 ASN 38 2HD2 ASN 38 13.695 -10.263 -25.396 308 HD22 ASN 38 1HD2 ASN 38 14.874 -9.954 -26.621 309 H LYS 39 H LYS 39 17.420 -10.179 -23.513 310 HA LYS 39 HA LYS 39 18.674 -10.031 -20.851 311 HB2 LYS 39 1HB LYS 39 20.009 -10.806 -23.447 312 HB3 LYS 39 2HB LYS 39 20.679 -10.937 -21.826 313 HG2 LYS 39 1HG LYS 39 18.300 -12.479 -22.842 314 HG3 LYS 39 2HG LYS 39 19.950 -13.099 -22.741 315 HD2 LYS 39 1HD LYS 39 19.903 -12.654 -20.294 316 HD3 LYS 39 2HD LYS 39 18.204 -12.200 -20.450 317 HE2 LYS 39 1HE LYS 39 17.981 -14.538 -21.586 318 HE3 LYS 39 2HE LYS 39 19.491 -14.882 -20.743 319 HZ1 LYS 39 3HZ LYS 39 18.227 -15.377 -19.001 320 HZ2 LYS 39 1HZ LYS 39 16.835 -14.725 -19.708 321 HZ3 LYS 39 2HZ LYS 39 17.895 -13.725 -18.850 322 H ASP 40 H ASP 40 18.285 -8.471 -23.925 323 HA ASP 40 HA ASP 40 20.416 -6.579 -23.548 324 HB2 ASP 40 1HB ASP 40 18.104 -6.630 -25.498 325 HB3 ASP 40 2HB ASP 40 19.411 -5.449 -25.533 326 H TRP 41 H TRP 41 16.864 -6.422 -23.411 327 HA TRP 41 HA TRP 41 17.136 -4.058 -21.677 328 HB2 TRP 41 1HB TRP 41 14.938 -4.462 -23.714 329 HB3 TRP 41 2HB TRP 41 15.201 -3.042 -22.706 330 HD1 TRP 41 HD1 TRP 41 16.837 -4.907 -25.668 331 HE1 TRP 41 HE1 TRP 41 18.218 -3.206 -27.019 332 HE3 TRP 41 HE3 TRP 41 16.294 -0.828 -22.634 333 HZ2 TRP 41 HZ2 TRP 41 18.977 -0.494 -26.824 334 HZ3 TRP 41 HZ3 TRP 41 17.379 1.281 -23.288 335 HH2 TRP 41 HH2 TRP 41 18.693 1.443 -25.340 336 H TRP 42 H TRP 42 15.817 -3.968 -19.909 337 HA TRP 42 HA TRP 42 14.066 -6.299 -19.475 338 HB2 TRP 42 1HB TRP 42 15.647 -4.713 -17.441 339 HB3 TRP 42 2HB TRP 42 14.539 -6.027 -17.058 340 HD1 TRP 42 HD1 TRP 42 15.655 -7.822 -19.641 341 HE1 TRP 42 HE1 TRP 42 17.868 -9.086 -19.287 342 HE3 TRP 42 HE3 TRP 42 17.488 -5.155 -15.683 343 HZ2 TRP 42 HZ2 TRP 42 20.097 -8.969 -17.558 344 HZ3 TRP 42 HZ3 TRP 42 19.668 -5.797 -14.737 345 HH2 TRP 42 HH2 TRP 42 20.943 -7.665 -15.656 346 H LYS 43 H LYS 43 12.116 -5.978 -18.327 347 HA LYS 43 HA LYS 43 11.014 -3.299 -18.684 348 HB2 LYS 43 1HB LYS 43 9.765 -5.210 -19.592 349 HB3 LYS 43 2HB LYS 43 9.655 -5.909 -17.982 350 HG2 LYS 43 1HG LYS 43 7.609 -4.922 -18.134 351 HG3 LYS 43 2HG LYS 43 8.532 -3.601 -17.414 352 HD2 LYS 43 1HD LYS 43 7.650 -2.399 -19.105 353 HD3 LYS 43 2HD LYS 43 8.954 -3.130 -20.045 354 HE2 LYS 43 1HE LYS 43 6.897 -3.376 -21.258 355 HE3 LYS 43 2HE LYS 43 7.401 -4.961 -20.673 356 HZ1 LYS 43 3HZ LYS 43 5.613 -3.450 -18.944 357 HZ2 LYS 43 1HZ LYS 43 5.647 -5.107 -19.285 358 HZ3 LYS 43 2HZ LYS 43 4.942 -4.031 -20.384 359 H VAL 44 H VAL 44 11.058 -1.928 -17.040 360 HA VAL 44 HA VAL 44 10.770 -2.999 -14.307 361 HB VAL 44 HB VAL 44 12.158 -1.204 -13.470 362 HG11 VAL 44 1HG1 VAL 44 13.070 -3.379 -14.763 363 HG12 VAL 44 2HG1 VAL 44 13.874 -2.111 -15.692 364 HG13 VAL 44 3HG1 VAL 44 14.119 -2.219 -13.948 365 HG21 VAL 44 3HG2 VAL 44 11.571 0.539 -15.047 366 HG22 VAL 44 1HG2 VAL 44 13.322 0.330 -15.009 367 HG23 VAL 44 2HG2 VAL 44 12.384 -0.330 -16.349 368 H GLU 45 H GLU 45 9.757 -1.549 -12.759 369 HA GLU 45 HA GLU 45 7.790 0.222 -14.053 370 HB2 GLU 45 1HB GLU 45 6.743 -1.710 -13.013 371 HB3 GLU 45 2HB GLU 45 7.564 -1.372 -11.495 372 HG2 GLU 45 1HG GLU 45 6.342 0.818 -11.438 373 HG3 GLU 45 2HG GLU 45 5.396 0.240 -12.809 374 H VAL 46 H VAL 46 7.765 2.309 -13.510 375 HA VAL 46 HA VAL 46 9.470 3.169 -11.271 376 HB VAL 46 HB VAL 46 8.494 4.966 -13.476 377 HG11 VAL 46 1HG1 VAL 46 10.714 5.081 -11.452 378 HG12 VAL 46 2HG1 VAL 46 10.649 6.151 -12.854 379 HG13 VAL 46 3HG1 VAL 46 9.357 6.189 -11.653 380 HG21 VAL 46 3HG2 VAL 46 10.918 3.179 -13.467 381 HG22 VAL 46 1HG2 VAL 46 9.614 3.233 -14.653 382 HG23 VAL 46 2HG2 VAL 46 10.749 4.578 -14.528 383 H LYS 47 H LYS 47 8.762 5.048 -10.038 384 HA LYS 47 HA LYS 47 5.835 5.081 -9.732 385 HB2 LYS 47 1HB LYS 47 8.098 5.249 -7.810 386 HB3 LYS 47 2HB LYS 47 6.654 6.181 -7.437 387 HG2 LYS 47 1HG LYS 47 6.340 3.321 -8.182 388 HG3 LYS 47 2HG LYS 47 6.957 3.719 -6.577 389 HD2 LYS 47 1HD LYS 47 4.428 4.896 -7.716 390 HD3 LYS 47 2HD LYS 47 4.458 3.423 -6.744 391 HE2 LYS 47 1HE LYS 47 5.390 6.162 -5.890 392 HE3 LYS 47 2HE LYS 47 3.927 5.337 -5.354 393 HZ1 LYS 47 3HZ LYS 47 5.710 3.520 -4.693 394 HZ2 LYS 47 1HZ LYS 47 5.293 4.788 -3.654 395 HZ3 LYS 47 2HZ LYS 47 6.703 4.885 -4.583 396 H ALA 48 H ALA 48 4.731 7.017 -9.573 397 HA ALA 48 HA ALA 48 6.232 9.510 -9.808 398 HB1 ALA 48 1HB ALA 48 4.474 8.368 -11.921 399 HB2 ALA 48 2HB ALA 48 4.480 10.115 -11.674 400 HB3 ALA 48 3HB ALA 48 5.979 9.275 -12.071 401 H THR 49 H THR 49 4.789 11.429 -9.617 402 HA THR 49 HA THR 49 2.249 10.888 -8.268 403 HB THR 49 HB THR 49 4.407 12.634 -7.066 404 HG1 THR 49 HG1 THR 49 4.287 11.005 -5.382 405 HG21 THR 49 3HG2 THR 49 2.662 13.681 -6.124 406 HG22 THR 49 1HG2 THR 49 2.470 12.218 -5.159 407 HG23 THR 49 2HG2 THR 49 1.526 12.432 -6.633 408 H ALA 50 H ALA 50 0.798 12.019 -9.372 409 HA ALA 50 HA ALA 50 1.335 14.839 -9.940 410 HB1 ALA 50 1HB ALA 50 1.896 13.951 -12.030 411 HB2 ALA 50 2HB ALA 50 0.586 12.770 -11.980 412 HB3 ALA 50 3HB ALA 50 0.223 14.479 -12.215 413 H ASN 51 H ASN 51 -0.531 16.135 -10.133 414 HA ASN 51 HA ASN 51 -2.605 16.826 -9.502 415 HB2 ASN 51 1HB ASN 51 -3.549 14.081 -10.333 416 HB3 ASN 51 2HB ASN 51 -4.463 15.586 -10.347 417 HD21 ASN 51 2HD2 ASN 51 -2.256 13.575 -12.023 418 HD22 ASN 51 1HD2 ASN 51 -2.131 14.528 -13.459 419 H GLY 52 H GLY 52 -0.924 15.466 -7.525 420 HA2 GLY 52 1HA GLY 52 -1.126 14.944 -5.292 421 HA3 GLY 52 2HA GLY 52 -2.848 15.267 -5.434 422 H LYS 53 H LYS 53 -1.476 12.962 -7.593 423 HA LYS 53 HA LYS 53 -2.389 10.743 -5.896 424 HB2 LYS 53 1HB LYS 53 -3.168 11.312 -8.750 425 HB3 LYS 53 2HB LYS 53 -3.269 9.695 -8.066 426 HG2 LYS 53 1HG LYS 53 -4.599 12.012 -6.720 427 HG3 LYS 53 2HG LYS 53 -5.370 11.176 -8.070 428 HD2 LYS 53 1HD LYS 53 -5.249 9.070 -6.859 429 HD3 LYS 53 2HD LYS 53 -4.411 9.865 -5.525 430 HE2 LYS 53 1HE LYS 53 -6.734 9.603 -4.953 431 HE3 LYS 53 2HE LYS 53 -6.393 11.314 -5.204 432 HZ1 LYS 53 3HZ LYS 53 -7.609 9.530 -7.241 433 HZ2 LYS 53 1HZ LYS 53 -7.389 11.203 -7.365 434 HZ3 LYS 53 2HZ LYS 53 -8.484 10.575 -6.239 435 H THR 54 H THR 54 -1.177 8.911 -5.996 436 HA THR 54 HA THR 54 1.336 9.103 -7.463 437 HB THR 54 HB THR 54 1.676 6.835 -6.115 438 HG1 THR 54 HG1 THR 54 -0.428 6.776 -5.248 439 HG21 THR 54 3HG2 THR 54 3.200 8.450 -5.571 440 HG22 THR 54 1HG2 THR 54 2.252 8.447 -4.084 441 HG23 THR 54 2HG2 THR 54 1.967 9.682 -5.310 442 H TYR 55 H TYR 55 1.789 7.961 -9.234 443 HA TYR 55 HA TYR 55 0.207 5.565 -9.837 444 HB2 TYR 55 1HB TYR 55 -0.236 6.245 -12.077 445 HB3 TYR 55 2HB TYR 55 -0.709 7.590 -11.045 446 HD1 TYR 55 HD1 TYR 55 0.709 9.620 -10.935 447 HD2 TYR 55 HD2 TYR 55 1.529 6.466 -13.670 448 HE1 TYR 55 HE1 TYR 55 2.156 11.128 -12.232 449 HE2 TYR 55 HE2 TYR 55 2.979 7.965 -14.974 450 HH TYR 55 HH TYR 55 2.992 11.292 -14.600 451 H GLU 56 H GLU 56 1.265 3.994 -11.040 452 HA GLU 56 HA GLU 56 4.165 4.411 -11.325 453 HB2 GLU 56 1HB GLU 56 2.655 1.811 -11.002 454 HB3 GLU 56 2HB GLU 56 4.402 1.989 -11.091 455 HG2 GLU 56 1HG GLU 56 4.576 2.774 -8.966 456 HG3 GLU 56 2HG GLU 56 2.971 3.501 -8.983 457 H ARG 57 H ARG 57 5.225 3.738 -13.188 458 HA ARG 57 HA ARG 57 3.520 2.905 -15.435 459 HB2 ARG 57 1HB ARG 57 4.927 4.396 -16.901 460 HB3 ARG 57 2HB ARG 57 3.849 5.236 -15.794 461 HG2 ARG 57 1HG ARG 57 5.734 5.617 -14.269 462 HG3 ARG 57 2HG ARG 57 6.806 4.813 -15.418 463 HD2 ARG 57 1HD ARG 57 5.140 7.221 -16.117 464 HD3 ARG 57 2HD ARG 57 6.790 7.334 -15.506 465 HE ARG 57 HE ARG 57 6.842 5.602 -17.673 466 HH11 ARG 57 1HH1 ARG 57 6.108 8.947 -17.047 467 HH12 ARG 57 2HH1 ARG 57 6.589 9.483 -18.623 468 HH21 ARG 57 1HH2 ARG 57 7.478 6.295 -19.751 469 HH22 ARG 57 2HH2 ARG 57 7.367 7.973 -20.160 470 H GLN 58 H GLN 58 4.326 1.300 -16.658 471 HA GLN 58 HA GLN 58 6.926 0.210 -15.903 472 HB2 GLN 58 1HB GLN 58 4.653 -0.923 -17.536 473 HB3 GLN 58 2HB GLN 58 6.178 -1.758 -17.277 474 HG2 GLN 58 1HG GLN 58 5.766 -2.066 -15.007 475 HG3 GLN 58 2HG GLN 58 4.519 -0.819 -14.971 476 HE21 GLN 58 2HE2 GLN 58 5.185 -3.817 -16.759 477 HE22 GLN 58 1HE2 GLN 58 3.591 -4.463 -16.604 478 H GLY 59 H GLY 59 8.663 0.125 -17.224 479 HA2 GLY 59 1HA GLY 59 8.329 0.794 -20.058 480 HA3 GLY 59 2HA GLY 59 9.375 1.822 -19.090 481 H PHE 60 H PHE 60 10.786 0.960 -20.966 482 HA PHE 60 HA PHE 60 12.046 -1.568 -20.132 483 HB2 PHE 60 1HB PHE 60 12.076 -0.219 -22.841 484 HB3 PHE 60 2HB PHE 60 12.920 -1.712 -22.442 485 HD1 PHE 60 HD1 PHE 60 11.533 -3.705 -21.701 486 HD2 PHE 60 HD2 PHE 60 9.857 -0.254 -23.546 487 HE1 PHE 60 HE1 PHE 60 9.526 -5.000 -22.293 488 HE2 PHE 60 HE2 PHE 60 7.847 -1.544 -24.139 489 HZ PHE 60 HZ PHE 60 7.680 -3.919 -23.512 490 H VAL 61 H VAL 61 14.270 -1.676 -19.897 491 HA VAL 61 HA VAL 61 15.794 0.811 -20.195 492 HB VAL 61 HB VAL 61 16.865 0.472 -17.997 493 HG11 VAL 61 1HG1 VAL 61 13.879 0.686 -17.682 494 HG12 VAL 61 2HG1 VAL 61 15.133 1.441 -16.695 495 HG13 VAL 61 3HG1 VAL 61 14.876 1.975 -18.357 496 HG21 VAL 61 3HG2 VAL 61 16.394 -1.954 -17.827 497 HG22 VAL 61 1HG2 VAL 61 15.939 -1.057 -16.378 498 HG23 VAL 61 2HG2 VAL 61 14.700 -1.574 -17.521 499 HA PRO 62 HA PRO 62 18.954 -1.781 -21.801 500 HB2 PRO 62 1HB PRO 62 21.170 -0.372 -21.114 501 HB3 PRO 62 2HB PRO 62 20.061 0.144 -22.389 502 HG2 PRO 62 1HG PRO 62 20.239 1.065 -19.546 503 HG3 PRO 62 2HG PRO 62 20.008 2.024 -21.020 504 HD2 PRO 62 1HD PRO 62 17.961 1.368 -19.373 505 HD3 PRO 62 2HD PRO 62 17.755 1.547 -21.127 506 H ALA 63 H ALA 63 19.299 -3.706 -20.866 507 HA ALA 63 HA ALA 63 19.809 -4.131 -18.134 508 HB1 ALA 63 1HB ALA 63 18.885 -5.911 -19.400 509 HB2 ALA 63 2HB ALA 63 20.231 -5.889 -20.540 510 HB3 ALA 63 3HB ALA 63 20.488 -6.435 -18.883 511 H ALA 64 H ALA 64 21.847 -3.039 -20.613 512 HA ALA 64 HA ALA 64 24.312 -4.103 -19.605 513 HB1 ALA 64 1HB ALA 64 25.366 -2.540 -21.199 514 HB2 ALA 64 2HB ALA 64 24.127 -3.548 -21.947 515 HB3 ALA 64 3HB ALA 64 23.775 -1.866 -21.553 516 H TYR 65 H TYR 65 22.327 -1.378 -18.889 517 HA TYR 65 HA TYR 65 24.493 -0.104 -17.370 518 HB2 TYR 65 1HB TYR 65 21.769 0.970 -18.129 519 HB3 TYR 65 2HB TYR 65 23.012 1.861 -17.259 520 HD1 TYR 65 HD1 TYR 65 25.278 0.552 -19.041 521 HD2 TYR 65 HD2 TYR 65 21.688 2.676 -19.878 522 HE1 TYR 65 HE1 TYR 65 26.232 1.310 -21.178 523 HE2 TYR 65 HE2 TYR 65 22.631 3.440 -22.017 524 HH TYR 65 HH TYR 65 25.685 3.519 -22.755 525 H VAL 66 H VAL 66 21.529 -1.840 -17.047 526 HA VAL 66 HA VAL 66 21.536 -1.342 -14.142 527 HB VAL 66 HB VAL 66 19.201 -1.854 -14.070 528 HG11 VAL 66 1HG1 VAL 66 18.277 -0.125 -15.635 529 HG12 VAL 66 2HG1 VAL 66 19.623 0.422 -14.634 530 HG13 VAL 66 3HG1 VAL 66 19.892 0.014 -16.329 531 HG21 VAL 66 3HG2 VAL 66 19.111 -3.657 -15.673 532 HG22 VAL 66 1HG2 VAL 66 17.930 -2.425 -16.116 533 HG23 VAL 66 2HG2 VAL 66 19.453 -2.543 -16.997 534 H LYS 67 H LYS 67 21.518 -3.056 -12.737 535 HA LYS 67 HA LYS 67 21.549 -5.761 -13.877 536 HB2 LYS 67 1HB LYS 67 23.867 -5.246 -13.631 537 HB3 LYS 67 2HB LYS 67 23.610 -4.555 -12.034 538 HG2 LYS 67 1HG LYS 67 23.364 -6.633 -11.033 539 HG3 LYS 67 2HG LYS 67 22.997 -7.435 -12.562 540 HD2 LYS 67 1HD LYS 67 25.185 -8.105 -12.065 541 HD3 LYS 67 2HD LYS 67 25.384 -6.810 -13.249 542 HE2 LYS 67 1HE LYS 67 25.876 -5.230 -11.478 543 HE3 LYS 67 2HE LYS 67 25.580 -6.467 -10.258 544 HZ1 LYS 67 3HZ LYS 67 27.668 -6.761 -12.336 545 HZ2 LYS 67 1HZ LYS 67 27.490 -7.641 -10.902 546 HZ3 LYS 67 2HZ LYS 67 27.974 -6.022 -10.846 547 H LYS 68 H LYS 68 20.243 -7.104 -12.824 548 HA LYS 68 HA LYS 68 18.583 -6.357 -10.741 549 HB2 LYS 68 1HB LYS 68 19.487 -9.153 -11.456 550 HB3 LYS 68 2HB LYS 68 18.077 -8.753 -10.483 551 HG2 LYS 68 1HG LYS 68 16.901 -7.917 -12.303 552 HG3 LYS 68 2HG LYS 68 18.362 -7.698 -13.269 553 HD2 LYS 68 1HD LYS 68 17.308 -9.582 -14.192 554 HD3 LYS 68 2HD LYS 68 18.596 -10.239 -13.180 555 HE2 LYS 68 1HE LYS 68 16.898 -10.515 -11.359 556 HE3 LYS 68 2HE LYS 68 15.659 -10.064 -12.529 557 HZ1 LYS 68 3HZ LYS 68 17.048 -12.558 -12.207 558 HZ2 LYS 68 1HZ LYS 68 17.029 -12.014 -13.809 559 HZ3 LYS 68 2HZ LYS 68 15.575 -12.232 -12.972 560 H LEU 69 H LEU 69 18.495 -6.984 -8.522 561 HA LEU 69 HA LEU 69 21.133 -7.021 -7.282 562 HB2 LEU 69 1HB LEU 69 18.361 -6.458 -6.289 563 HB3 LEU 69 2HB LEU 69 19.691 -6.740 -5.168 564 HG LEU 69 HG LEU 69 19.359 -4.378 -5.404 565 HD11 LEU 69 1HD1 LEU 69 21.755 -5.633 -5.733 566 HD12 LEU 69 2HD1 LEU 69 21.543 -3.900 -5.491 567 HD13 LEU 69 3HD1 LEU 69 21.721 -4.546 -7.122 568 HD21 LEU 69 3HD2 LEU 69 19.465 -3.225 -7.515 569 HD22 LEU 69 1HD2 LEU 69 18.220 -4.471 -7.601 570 HD23 LEU 69 2HD2 LEU 69 19.786 -4.736 -8.368 571 H ASP 70 H ASP 70 20.553 -9.410 -8.507 572 HA ASP 70 HA ASP 70 19.940 -11.198 -6.247 573 HB2 ASP 70 1HB ASP 70 18.511 -11.204 -8.446 574 HB3 ASP 70 2HB ASP 70 19.865 -12.123 -9.096 Start of MODEL 7 1 H1 MET 1 H MET 1 1.966 -0.969 -2.069 2 HA MET 1 HA MET 1 1.266 -2.733 0.105 3 HB2 MET 1 1HB MET 1 -0.290 -1.599 -1.673 4 HB3 MET 1 2HB MET 1 0.141 -2.990 -2.658 5 HG2 MET 1 1HG MET 1 -0.813 -3.466 0.113 6 HG3 MET 1 2HG MET 1 -1.986 -2.992 -1.113 7 HE1 MET 1 3HE MET 1 -2.368 -5.885 -3.409 8 HE2 MET 1 1HE MET 1 -2.752 -4.221 -2.963 9 HE3 MET 1 2HE MET 1 -1.265 -4.578 -3.843 10 H ASP 2 H ASP 2 3.381 -3.807 0.164 11 HA ASP 2 HA ASP 2 4.805 -5.529 -0.282 12 HB2 ASP 2 1HB ASP 2 2.147 -6.611 -1.180 13 HB3 ASP 2 2HB ASP 2 3.609 -7.585 -1.308 14 H GLU 3 H GLU 3 4.672 -3.441 -2.256 15 HA GLU 3 HA GLU 3 5.068 -4.886 -4.776 16 HB2 GLU 3 1HB GLU 3 4.994 -2.700 -5.852 17 HB3 GLU 3 2HB GLU 3 3.578 -2.935 -4.837 18 HG2 GLU 3 1HG GLU 3 4.807 -1.635 -3.051 19 HG3 GLU 3 2HG GLU 3 5.976 -1.213 -4.301 20 H THR 4 H THR 4 7.002 -5.219 -2.748 21 HA THR 4 HA THR 4 9.360 -4.503 -4.202 22 HB THR 4 HB THR 4 10.239 -3.471 -1.850 23 HG1 THR 4 HG1 THR 4 8.630 -1.995 -1.144 24 HG21 THR 4 3HG2 THR 4 9.004 -1.438 -3.565 25 HG22 THR 4 1HG2 THR 4 9.987 -2.617 -4.433 26 HG23 THR 4 2HG2 THR 4 10.695 -1.672 -3.122 27 H GLY 5 H GLY 5 10.033 -6.591 -4.188 28 HA2 GLY 5 1HA GLY 5 11.619 -7.708 -2.368 29 HA3 GLY 5 2HA GLY 5 10.044 -8.100 -1.695 30 H LYS 6 H LYS 6 11.118 -8.011 -5.077 31 HA LYS 6 HA LYS 6 10.727 -10.917 -5.226 32 HB2 LYS 6 1HB LYS 6 9.853 -9.449 -7.614 33 HB3 LYS 6 2HB LYS 6 9.114 -10.823 -6.803 34 HG2 LYS 6 1HG LYS 6 7.520 -9.225 -6.466 35 HG3 LYS 6 2HG LYS 6 8.485 -9.028 -5.001 36 HD2 LYS 6 1HD LYS 6 9.770 -7.239 -6.238 37 HD3 LYS 6 2HD LYS 6 8.535 -7.339 -7.495 38 HE2 LYS 6 1HE LYS 6 8.002 -6.730 -4.589 39 HE3 LYS 6 2HE LYS 6 8.129 -5.520 -5.865 40 HZ1 LYS 6 3HZ LYS 6 6.285 -7.554 -6.582 41 HZ2 LYS 6 1HZ LYS 6 6.036 -5.886 -6.446 42 HZ3 LYS 6 2HZ LYS 6 5.863 -6.880 -5.089 43 H GLU 7 H GLU 7 11.916 -8.015 -6.892 44 HA GLU 7 HA GLU 7 14.476 -9.024 -7.361 45 HB2 GLU 7 1HB GLU 7 12.504 -9.988 -9.214 46 HB3 GLU 7 2HB GLU 7 13.646 -8.954 -10.061 47 HG2 GLU 7 1HG GLU 7 15.280 -10.460 -9.935 48 HG3 GLU 7 2HG GLU 7 14.931 -10.834 -8.248 49 H LEU 8 H LEU 8 14.949 -6.914 -6.709 50 HA LEU 8 HA LEU 8 14.108 -4.724 -8.451 51 HB2 LEU 8 1HB LEU 8 15.274 -4.919 -5.717 52 HB3 LEU 8 2HB LEU 8 15.513 -3.435 -6.638 53 HG LEU 8 HG LEU 8 13.586 -3.435 -5.014 54 HD11 LEU 8 1HD1 LEU 8 12.019 -2.776 -7.191 55 HD12 LEU 8 2HD1 LEU 8 13.668 -2.558 -7.776 56 HD13 LEU 8 3HD1 LEU 8 13.125 -1.704 -6.332 57 HD21 LEU 8 3HD2 LEU 8 12.884 -5.780 -5.563 58 HD22 LEU 8 1HD2 LEU 8 12.250 -5.161 -7.089 59 HD23 LEU 8 2HD2 LEU 8 11.579 -4.592 -5.560 60 H VAL 9 H VAL 9 15.550 -3.385 -9.537 61 HA VAL 9 HA VAL 9 18.280 -4.462 -9.822 62 HB VAL 9 HB VAL 9 18.306 -3.723 -12.114 63 HG11 VAL 9 1HG1 VAL 9 17.267 -5.567 -12.819 64 HG12 VAL 9 2HG1 VAL 9 16.744 -5.789 -11.149 65 HG13 VAL 9 3HG1 VAL 9 15.691 -4.970 -12.302 66 HG21 VAL 9 3HG2 VAL 9 15.674 -3.015 -12.715 67 HG22 VAL 9 1HG2 VAL 9 16.076 -2.111 -11.255 68 HG23 VAL 9 2HG2 VAL 9 17.084 -1.956 -12.694 69 H LEU 10 H LEU 10 19.995 -3.004 -10.035 70 HA LEU 10 HA LEU 10 19.422 -0.331 -8.970 71 HB2 LEU 10 1HB LEU 10 20.981 -1.675 -7.681 72 HB3 LEU 10 2HB LEU 10 21.996 -1.896 -9.104 73 HG LEU 10 HG LEU 10 22.165 0.712 -9.031 74 HD11 LEU 10 1HD1 LEU 10 21.658 0.143 -6.121 75 HD12 LEU 10 2HD1 LEU 10 20.451 0.849 -7.196 76 HD13 LEU 10 3HD1 LEU 10 21.964 1.702 -6.889 77 HD21 LEU 10 3HD2 LEU 10 23.799 -0.136 -6.846 78 HD22 LEU 10 1HD2 LEU 10 24.258 0.189 -8.518 79 HD23 LEU 10 2HD2 LEU 10 23.719 -1.424 -8.049 80 H ALA 11 H ALA 11 19.990 1.509 -10.028 81 HA ALA 11 HA ALA 11 20.692 1.225 -12.839 82 HB1 ALA 11 1HB ALA 11 18.851 2.665 -12.436 83 HB2 ALA 11 2HB ALA 11 19.736 3.562 -11.202 84 HB3 ALA 11 3HB ALA 11 20.208 3.694 -12.896 85 H LEU 12 H LEU 12 22.874 0.766 -12.868 86 HA LEU 12 HA LEU 12 24.857 1.970 -11.324 87 HB2 LEU 12 1HB LEU 12 25.193 1.006 -14.156 88 HB3 LEU 12 2HB LEU 12 26.434 1.118 -12.909 89 HG LEU 12 HG LEU 12 24.076 -0.759 -12.782 90 HD11 LEU 12 1HD1 LEU 12 26.790 -1.052 -13.980 91 HD12 LEU 12 2HD1 LEU 12 25.234 -1.657 -14.548 92 HD13 LEU 12 3HD1 LEU 12 26.039 -2.438 -13.187 93 HD21 LEU 12 3HD2 LEU 12 26.544 -0.361 -11.118 94 HD22 LEU 12 1HD2 LEU 12 25.651 -1.882 -11.119 95 HD23 LEU 12 2HD2 LEU 12 24.857 -0.395 -10.602 96 H TYR 13 H TYR 13 23.621 2.865 -14.528 97 HA TYR 13 HA TYR 13 24.979 5.464 -14.228 98 HB2 TYR 13 1HB TYR 13 24.276 4.008 -16.785 99 HB3 TYR 13 2HB TYR 13 25.033 5.594 -16.688 100 HD1 TYR 13 HD1 TYR 13 25.531 1.999 -15.968 101 HD2 TYR 13 HD2 TYR 13 27.369 5.816 -16.358 102 HE1 TYR 13 HE1 TYR 13 27.746 0.931 -15.915 103 HE2 TYR 13 HE2 TYR 13 29.589 4.759 -16.307 104 HH TYR 13 HH TYR 13 30.656 2.751 -15.601 105 H ASP 14 H ASP 14 23.801 7.010 -16.015 106 HA ASP 14 HA ASP 14 21.021 7.124 -15.088 107 HB2 ASP 14 1HB ASP 14 22.510 9.091 -14.691 108 HB3 ASP 14 2HB ASP 14 22.648 9.288 -16.436 109 H TYR 15 H TYR 15 19.409 7.990 -16.662 110 HA TYR 15 HA TYR 15 19.983 7.350 -19.453 111 HB2 TYR 15 1HB TYR 15 18.937 5.371 -18.029 112 HB3 TYR 15 2HB TYR 15 17.444 6.255 -18.330 113 HD1 TYR 15 HD2 TYR 15 20.453 5.407 -20.390 114 HD2 TYR 15 HD1 TYR 15 16.215 5.310 -20.029 115 HE1 TYR 15 HE2 TYR 15 20.293 4.368 -22.614 116 HE2 TYR 15 HE1 TYR 15 16.043 4.269 -22.251 117 HH TYR 15 HH TYR 15 18.325 4.309 -24.481 118 H GLN 16 H GLN 16 17.812 7.757 -20.750 119 HA GLN 16 HA GLN 16 16.188 9.886 -19.668 120 HB2 GLN 16 1HB GLN 16 18.523 10.473 -21.249 121 HB3 GLN 16 2HB GLN 16 17.074 10.978 -22.108 122 HG2 GLN 16 1HG GLN 16 17.097 11.724 -19.285 123 HG3 GLN 16 2HG GLN 16 18.395 12.447 -20.234 124 HE21 GLN 16 2HE2 GLN 16 15.360 12.929 -19.160 125 HE22 GLN 16 1HE2 GLN 16 14.780 14.020 -20.368 126 H GLU 17 H GLU 17 14.428 8.579 -20.102 127 HA GLU 17 HA GLU 17 13.889 7.114 -22.369 128 HB2 GLU 17 1HB GLU 17 11.490 7.394 -21.801 129 HB3 GLU 17 2HB GLU 17 12.480 6.959 -20.415 130 HG2 GLU 17 1HG GLU 17 12.324 9.084 -19.480 131 HG3 GLU 17 2HG GLU 17 11.817 9.818 -21.000 132 H LYS 18 H LYS 18 12.879 7.493 -24.325 133 HA LYS 18 HA LYS 18 12.722 10.324 -25.128 134 HB2 LYS 18 1HB LYS 18 13.155 7.992 -26.989 135 HB3 LYS 18 2HB LYS 18 13.379 9.703 -27.331 136 HG2 LYS 18 1HG LYS 18 15.545 9.152 -27.025 137 HG3 LYS 18 2HG LYS 18 15.131 9.449 -25.335 138 HD2 LYS 18 1HD LYS 18 16.154 7.399 -25.171 139 HD3 LYS 18 2HD LYS 18 14.472 6.908 -25.380 140 HE2 LYS 18 1HE LYS 18 15.718 5.552 -26.850 141 HE3 LYS 18 2HE LYS 18 14.964 6.781 -27.863 142 HZ1 LYS 18 3HZ LYS 18 17.436 6.243 -28.204 143 HZ2 LYS 18 1HZ LYS 18 17.691 7.178 -26.816 144 HZ3 LYS 18 2HZ LYS 18 16.963 7.867 -28.178 145 H SER 19 H SER 19 11.105 7.246 -25.069 146 HA SER 19 HA SER 19 8.761 8.478 -26.365 147 HB2 SER 19 1HB SER 19 9.947 5.761 -26.568 148 HB3 SER 19 2HB SER 19 8.186 5.862 -26.566 149 HG SER 19 HG SER 19 8.441 7.444 -28.284 150 HA PRO 20 HA PRO 20 6.359 7.894 -22.742 151 HB2 PRO 20 1HB PRO 20 3.960 7.116 -23.748 152 HB3 PRO 20 2HB PRO 20 4.575 8.766 -23.898 153 HG2 PRO 20 1HG PRO 20 4.615 6.540 -25.899 154 HG3 PRO 20 2HG PRO 20 4.233 8.255 -26.141 155 HD2 PRO 20 1HD PRO 20 6.645 7.196 -26.771 156 HD3 PRO 20 2HD PRO 20 6.454 8.869 -26.208 157 H ARG 21 H ARG 21 6.999 5.253 -24.816 158 HA ARG 21 HA ARG 21 5.821 3.322 -22.951 159 HB2 ARG 21 1HB ARG 21 6.226 1.656 -24.693 160 HB3 ARG 21 2HB ARG 21 5.304 3.013 -25.326 161 HG2 ARG 21 1HG ARG 21 7.447 3.936 -26.230 162 HG3 ARG 21 2HG ARG 21 8.221 2.422 -25.757 163 HD2 ARG 21 1HD ARG 21 6.904 1.166 -27.262 164 HD3 ARG 21 2HD ARG 21 5.791 2.509 -27.524 165 HE ARG 21 HE ARG 21 8.361 3.290 -28.331 166 HH11 ARG 21 1HH1 ARG 21 5.807 1.118 -29.269 167 HH12 ARG 21 2HH1 ARG 21 6.214 1.158 -30.953 168 HH21 ARG 21 1HH2 ARG 21 8.908 3.350 -30.544 169 HH22 ARG 21 2HH2 ARG 21 7.979 2.427 -31.677 170 H GLU 22 H GLU 22 8.325 4.945 -22.534 171 HA GLU 22 HA GLU 22 10.047 2.677 -21.828 172 HB2 GLU 22 1HB GLU 22 10.774 3.981 -23.952 173 HB3 GLU 22 2HB GLU 22 11.249 5.242 -22.823 174 HG2 GLU 22 1HG GLU 22 13.037 4.098 -22.084 175 HG3 GLU 22 2HG GLU 22 12.219 2.540 -22.186 176 H VAL 23 H VAL 23 11.775 3.360 -20.238 177 HA VAL 23 HA VAL 23 10.762 5.473 -18.450 178 HB VAL 23 HB VAL 23 11.668 4.033 -16.555 179 HG11 VAL 23 1HG1 VAL 23 9.360 4.224 -16.607 180 HG12 VAL 23 2HG1 VAL 23 9.224 3.396 -18.159 181 HG13 VAL 23 3HG1 VAL 23 9.599 2.479 -16.699 182 HG21 VAL 23 3HG2 VAL 23 12.668 2.482 -18.548 183 HG22 VAL 23 1HG2 VAL 23 12.399 1.934 -16.893 184 HG23 VAL 23 2HG2 VAL 23 11.194 1.605 -18.137 185 H THR 24 H THR 24 12.590 5.762 -16.625 186 HA THR 24 HA THR 24 15.235 5.816 -17.877 187 HB THR 24 HB THR 24 14.050 8.024 -18.279 188 HG1 THR 24 HG1 THR 24 16.304 8.484 -16.662 189 HG21 THR 24 3HG2 THR 24 13.499 9.443 -16.566 190 HG22 THR 24 1HG2 THR 24 14.681 8.745 -15.460 191 HG23 THR 24 2HG2 THR 24 13.169 7.896 -15.787 192 H MET 25 H MET 25 16.923 6.576 -16.255 193 HA MET 25 HA MET 25 16.246 6.184 -13.469 194 HB2 MET 25 1HB MET 25 17.781 4.326 -13.114 195 HB3 MET 25 2HB MET 25 16.536 3.876 -14.271 196 HG2 MET 25 1HG MET 25 19.008 4.976 -15.424 197 HG3 MET 25 2HG MET 25 19.162 3.417 -14.618 198 HE1 MET 25 3HE MET 25 20.131 2.833 -16.677 199 HE2 MET 25 1HE MET 25 19.191 1.600 -17.518 200 HE3 MET 25 2HE MET 25 19.451 3.174 -18.269 201 H LYS 26 H LYS 26 18.364 6.245 -12.123 202 HA LYS 26 HA LYS 26 20.342 8.003 -13.395 203 HB2 LYS 26 1HB LYS 26 19.307 8.531 -10.617 204 HB3 LYS 26 2HB LYS 26 20.285 9.582 -11.632 205 HG2 LYS 26 1HG LYS 26 18.328 9.729 -13.195 206 HG3 LYS 26 2HG LYS 26 17.379 8.889 -11.967 207 HD2 LYS 26 1HD LYS 26 16.939 11.129 -11.528 208 HD3 LYS 26 2HD LYS 26 18.221 10.744 -10.377 209 HE2 LYS 26 1HE LYS 26 19.003 11.772 -13.054 210 HE3 LYS 26 2HE LYS 26 18.305 12.910 -11.902 211 HZ1 LYS 26 3HZ LYS 26 20.159 11.485 -10.467 212 HZ2 LYS 26 1HZ LYS 26 20.327 13.069 -11.037 213 HZ3 LYS 26 2HZ LYS 26 20.914 11.775 -11.953 214 H LYS 27 H LYS 27 22.387 8.113 -12.253 215 HA LYS 27 HA LYS 27 23.384 5.622 -11.511 216 HB2 LYS 27 1HB LYS 27 25.342 6.947 -10.600 217 HB3 LYS 27 2HB LYS 27 24.923 7.254 -12.281 218 HG2 LYS 27 1HG LYS 27 23.536 9.041 -10.469 219 HG3 LYS 27 2HG LYS 27 25.291 9.144 -10.305 220 HD2 LYS 27 1HD LYS 27 24.200 9.089 -13.058 221 HD3 LYS 27 2HD LYS 27 23.914 10.553 -12.114 222 HE2 LYS 27 1HE LYS 27 26.646 9.329 -12.319 223 HE3 LYS 27 2HE LYS 27 26.038 10.426 -13.558 224 HZ1 LYS 27 3HZ LYS 27 27.079 11.879 -12.160 225 HZ2 LYS 27 1HZ LYS 27 26.742 10.982 -10.766 226 HZ3 LYS 27 2HZ LYS 27 25.527 11.910 -11.489 227 H GLY 28 H GLY 28 22.399 4.551 -9.868 228 HA2 GLY 28 1HA GLY 28 22.706 4.099 -7.496 229 HA3 GLY 28 2HA GLY 28 22.563 5.827 -7.210 230 H ASP 29 H ASP 29 20.399 4.590 -9.532 231 HA ASP 29 HA ASP 29 18.187 4.960 -7.662 232 HB2 ASP 29 1HB ASP 29 18.477 5.005 -10.631 233 HB3 ASP 29 2HB ASP 29 16.905 4.580 -9.959 234 H ILE 30 H ILE 30 16.257 3.452 -8.046 235 HA ILE 30 HA ILE 30 17.095 0.701 -8.595 236 HB ILE 30 HB ILE 30 15.593 1.463 -6.089 237 HG12 ILE 30 1HG1 ILE 30 18.454 0.525 -6.397 238 HG13 ILE 30 2HG1 ILE 30 17.964 2.172 -6.015 239 HG21 ILE 30 1HG2 ILE 30 15.012 -0.676 -6.011 240 HG22 ILE 30 2HG2 ILE 30 15.892 -0.994 -7.505 241 HG23 ILE 30 3HG2 ILE 30 16.717 -1.121 -5.952 242 HD11 ILE 30 3HD1 ILE 30 18.251 -0.134 -4.287 243 HD12 ILE 30 1HD1 ILE 30 18.180 1.582 -3.887 244 HD13 ILE 30 2HD1 ILE 30 16.689 0.662 -4.097 245 H LEU 31 H LEU 31 15.595 -0.463 -9.646 246 HA LEU 31 HA LEU 31 12.815 0.484 -9.644 247 HB2 LEU 31 1HB LEU 31 14.078 -0.527 -12.159 248 HB3 LEU 31 2HB LEU 31 12.620 0.442 -11.959 249 HG LEU 31 HG LEU 31 15.446 1.430 -11.575 250 HD11 LEU 31 1HD1 LEU 31 13.595 2.320 -13.741 251 HD12 LEU 31 2HD1 LEU 31 14.540 0.845 -13.942 252 HD13 LEU 31 3HD1 LEU 31 15.356 2.384 -13.670 253 HD21 LEU 31 3HD2 LEU 31 12.920 2.461 -10.715 254 HD22 LEU 31 1HD2 LEU 31 13.608 3.529 -11.939 255 HD23 LEU 31 2HD2 LEU 31 14.535 3.136 -10.490 256 H THR 32 H THR 32 11.265 -1.092 -9.750 257 HA THR 32 HA THR 32 12.071 -3.743 -9.032 258 HB THR 32 HB THR 32 9.274 -3.475 -9.822 259 HG1 THR 32 HG1 THR 32 9.944 -1.911 -7.587 260 HG21 THR 32 3HG2 THR 32 10.311 -3.882 -7.040 261 HG22 THR 32 1HG2 THR 32 10.482 -5.152 -8.250 262 HG23 THR 32 2HG2 THR 32 8.879 -4.567 -7.807 263 H LEU 33 H LEU 33 12.057 -5.588 -10.224 264 HA LEU 33 HA LEU 33 11.989 -5.285 -13.103 265 HB2 LEU 33 1HB LEU 33 13.762 -6.577 -11.972 266 HB3 LEU 33 2HB LEU 33 12.544 -7.727 -11.423 267 HG LEU 33 HG LEU 33 13.989 -8.355 -13.446 268 HD11 LEU 33 1HD1 LEU 33 11.392 -8.799 -14.510 269 HD12 LEU 33 2HD1 LEU 33 11.298 -8.893 -12.752 270 HD13 LEU 33 3HD1 LEU 33 12.433 -9.919 -13.630 271 HD21 LEU 33 3HD2 LEU 33 13.686 -7.355 -15.458 272 HD22 LEU 33 1HD2 LEU 33 13.311 -5.970 -14.432 273 HD23 LEU 33 2HD2 LEU 33 12.006 -6.934 -15.123 274 H LEU 34 H LEU 34 10.437 -5.994 -14.449 275 HA LEU 34 HA LEU 34 8.168 -7.447 -13.257 276 HB2 LEU 34 1HB LEU 34 8.314 -5.160 -15.133 277 HB3 LEU 34 2HB LEU 34 7.045 -6.349 -15.417 278 HG LEU 34 HG LEU 34 6.214 -4.462 -14.123 279 HD11 LEU 34 1HD1 LEU 34 6.034 -7.196 -13.400 280 HD12 LEU 34 2HD1 LEU 34 4.844 -5.916 -13.169 281 HD13 LEU 34 3HD1 LEU 34 6.043 -6.240 -11.918 282 HD21 LEU 34 3HD2 LEU 34 8.228 -5.272 -12.030 283 HD22 LEU 34 1HD2 LEU 34 7.033 -3.982 -11.899 284 HD23 LEU 34 2HD2 LEU 34 8.353 -3.847 -13.062 285 H ASN 35 H ASN 35 10.289 -7.123 -16.037 286 HA ASN 35 HA ASN 35 9.763 -9.882 -16.755 287 HB2 ASN 35 1HB ASN 35 8.531 -7.714 -18.175 288 HB3 ASN 35 2HB ASN 35 9.694 -8.509 -19.232 289 HD21 ASN 35 2HD2 ASN 35 9.575 -11.064 -18.722 290 HD22 ASN 35 1HD2 ASN 35 7.983 -11.703 -18.927 291 H SER 36 H SER 36 11.682 -10.781 -17.051 292 HA SER 36 HA SER 36 13.838 -9.148 -18.224 293 HB2 SER 36 1HB SER 36 15.435 -10.177 -16.790 294 HB3 SER 36 2HB SER 36 14.084 -9.716 -15.753 295 HG SER 36 HG SER 36 15.132 -12.124 -16.095 296 H THR 37 H THR 37 12.063 -10.684 -19.761 297 HA THR 37 HA THR 37 13.069 -13.269 -20.346 298 HB THR 37 HB THR 37 10.799 -12.665 -20.971 299 HG1 THR 37 HG1 THR 37 11.361 -14.204 -22.355 300 HG21 THR 37 3HG2 THR 37 10.223 -10.833 -22.140 301 HG22 THR 37 1HG2 THR 37 11.527 -11.052 -23.306 302 HG23 THR 37 2HG2 THR 37 11.848 -10.263 -21.761 303 H ASN 38 H ASN 38 14.035 -10.087 -21.277 304 HA ASN 38 HA ASN 38 15.783 -11.173 -23.376 305 HB2 ASN 38 1HB ASN 38 14.132 -9.103 -23.638 306 HB3 ASN 38 2HB ASN 38 15.498 -8.235 -22.943 307 HD21 ASN 38 2HD2 ASN 38 15.144 -10.879 -25.288 308 HD22 ASN 38 1HD2 ASN 38 16.109 -10.142 -26.517 309 H LYS 39 H LYS 39 17.938 -9.979 -23.546 310 HA LYS 39 HA LYS 39 19.090 -9.749 -20.845 311 HB2 LYS 39 1HB LYS 39 20.536 -10.475 -23.397 312 HB3 LYS 39 2HB LYS 39 21.186 -10.526 -21.764 313 HG2 LYS 39 1HG LYS 39 19.194 -12.196 -21.374 314 HG3 LYS 39 2HG LYS 39 19.315 -12.394 -23.124 315 HD2 LYS 39 1HD LYS 39 21.596 -12.724 -21.175 316 HD3 LYS 39 2HD LYS 39 20.664 -14.046 -21.881 317 HE2 LYS 39 1HE LYS 39 22.228 -12.016 -23.471 318 HE3 LYS 39 2HE LYS 39 22.832 -13.610 -23.023 319 HZ1 LYS 39 3HZ LYS 39 20.597 -12.950 -24.844 320 HZ2 LYS 39 1HZ LYS 39 20.788 -14.499 -24.190 321 HZ3 LYS 39 2HZ LYS 39 21.994 -13.843 -25.179 322 H ASP 40 H ASP 40 18.716 -8.229 -23.940 323 HA ASP 40 HA ASP 40 20.733 -6.232 -23.547 324 HB2 ASP 40 1HB ASP 40 18.402 -6.325 -25.473 325 HB3 ASP 40 2HB ASP 40 19.713 -5.149 -25.526 326 H TRP 41 H TRP 41 17.182 -6.254 -23.357 327 HA TRP 41 HA TRP 41 17.355 -3.919 -21.579 328 HB2 TRP 41 1HB TRP 41 15.191 -4.285 -23.657 329 HB3 TRP 41 2HB TRP 41 15.456 -2.883 -22.623 330 HD1 TRP 41 HD1 TRP 41 17.110 -4.708 -25.602 331 HE1 TRP 41 HE1 TRP 41 18.497 -2.988 -26.923 332 HE3 TRP 41 HE3 TRP 41 16.537 -0.667 -22.523 333 HZ2 TRP 41 HZ2 TRP 41 19.248 -0.278 -26.690 334 HZ3 TRP 41 HZ3 TRP 41 17.623 1.452 -23.144 335 HH2 TRP 41 HH2 TRP 41 18.950 1.640 -25.184 336 H TRP 42 H TRP 42 16.007 -3.934 -19.834 337 HA TRP 42 HA TRP 42 14.303 -6.318 -19.528 338 HB2 TRP 42 1HB TRP 42 15.731 -4.736 -17.379 339 HB3 TRP 42 2HB TRP 42 14.706 -6.142 -17.107 340 HD1 TRP 42 HD1 TRP 42 15.967 -7.839 -19.616 341 HE1 TRP 42 HE1 TRP 42 18.280 -8.917 -19.278 342 HE3 TRP 42 HE3 TRP 42 17.636 -4.974 -15.725 343 HZ2 TRP 42 HZ2 TRP 42 20.516 -8.595 -17.585 344 HZ3 TRP 42 HZ3 TRP 42 19.873 -5.424 -14.804 345 HH2 TRP 42 HH2 TRP 42 21.281 -7.198 -15.716 346 H LYS 43 H LYS 43 12.326 -6.086 -18.374 347 HA LYS 43 HA LYS 43 11.137 -3.442 -18.722 348 HB2 LYS 43 1HB LYS 43 9.968 -5.369 -19.690 349 HB3 LYS 43 2HB LYS 43 9.860 -6.112 -18.099 350 HG2 LYS 43 1HG LYS 43 7.777 -5.197 -18.282 351 HG3 LYS 43 2HG LYS 43 8.636 -3.881 -17.479 352 HD2 LYS 43 1HD LYS 43 7.885 -2.582 -19.135 353 HD3 LYS 43 2HD LYS 43 9.083 -3.385 -20.152 354 HE2 LYS 43 1HE LYS 43 6.899 -3.428 -21.214 355 HE3 LYS 43 2HE LYS 43 7.408 -5.060 -20.785 356 HZ1 LYS 43 3HZ LYS 43 5.621 -5.305 -19.521 357 HZ2 LYS 43 1HZ LYS 43 5.040 -3.828 -20.105 358 HZ3 LYS 43 2HZ LYS 43 5.934 -3.877 -18.670 359 H VAL 44 H VAL 44 11.162 -2.103 -17.049 360 HA VAL 44 HA VAL 44 10.856 -3.230 -14.341 361 HB VAL 44 HB VAL 44 12.075 -1.247 -13.501 362 HG11 VAL 44 1HG1 VAL 44 13.100 -3.537 -14.599 363 HG12 VAL 44 2HG1 VAL 44 14.045 -2.277 -15.395 364 HG13 VAL 44 3HG1 VAL 44 14.005 -2.372 -13.634 365 HG21 VAL 44 3HG2 VAL 44 11.801 -0.429 -16.263 366 HG22 VAL 44 1HG2 VAL 44 12.229 0.524 -14.842 367 HG23 VAL 44 2HG2 VAL 44 13.479 -0.352 -15.725 368 H GLU 45 H GLU 45 9.744 -1.869 -12.784 369 HA GLU 45 HA GLU 45 7.709 -0.173 -14.073 370 HB2 GLU 45 1HB GLU 45 6.677 -2.114 -13.117 371 HB3 GLU 45 2HB GLU 45 7.552 -1.905 -11.607 372 HG2 GLU 45 1HG GLU 45 5.778 0.297 -12.501 373 HG3 GLU 45 2HG GLU 45 5.033 -1.175 -11.878 374 H VAL 46 H VAL 46 8.112 1.911 -13.764 375 HA VAL 46 HA VAL 46 9.441 2.774 -11.297 376 HB VAL 46 HB VAL 46 9.887 4.872 -12.416 377 HG11 VAL 46 1HG1 VAL 46 11.428 4.119 -14.071 378 HG12 VAL 46 2HG1 VAL 46 11.354 2.878 -12.818 379 HG13 VAL 46 3HG1 VAL 46 10.503 2.643 -14.345 380 HG21 VAL 46 3HG2 VAL 46 7.869 5.153 -13.690 381 HG22 VAL 46 1HG2 VAL 46 9.240 5.181 -14.798 382 HG23 VAL 46 2HG2 VAL 46 8.239 3.735 -14.671 383 H LYS 47 H LYS 47 8.700 4.931 -10.426 384 HA LYS 47 HA LYS 47 5.762 5.133 -10.537 385 HB2 LYS 47 1HB LYS 47 5.809 5.760 -8.144 386 HB3 LYS 47 2HB LYS 47 6.399 4.127 -8.426 387 HG2 LYS 47 1HG LYS 47 8.058 4.770 -7.061 388 HG3 LYS 47 2HG LYS 47 8.717 5.497 -8.528 389 HD2 LYS 47 1HD LYS 47 8.805 7.165 -6.841 390 HD3 LYS 47 2HD LYS 47 7.470 7.599 -7.911 391 HE2 LYS 47 1HE LYS 47 6.083 6.174 -6.173 392 HE3 LYS 47 2HE LYS 47 7.422 6.597 -5.108 393 HZ1 LYS 47 3HZ LYS 47 6.906 8.972 -6.120 394 HZ2 LYS 47 1HZ LYS 47 6.106 8.383 -4.750 395 HZ3 LYS 47 2HZ LYS 47 5.359 8.301 -6.266 396 H ALA 48 H ALA 48 4.865 7.221 -10.225 397 HA ALA 48 HA ALA 48 6.721 9.482 -10.275 398 HB1 ALA 48 1HB ALA 48 5.223 8.537 -12.556 399 HB2 ALA 48 2HB ALA 48 4.786 10.195 -12.141 400 HB3 ALA 48 3HB ALA 48 6.470 9.781 -12.464 401 H THR 49 H THR 49 5.865 11.412 -9.505 402 HA THR 49 HA THR 49 3.195 11.188 -8.274 403 HB THR 49 HB THR 49 5.588 12.745 -7.275 404 HG1 THR 49 HG1 THR 49 5.968 10.776 -6.523 405 HG21 THR 49 3HG2 THR 49 3.937 14.051 -6.424 406 HG22 THR 49 1HG2 THR 49 3.854 12.763 -5.222 407 HG23 THR 49 2HG2 THR 49 2.715 12.788 -6.569 408 H ALA 50 H ALA 50 1.748 12.428 -9.255 409 HA ALA 50 HA ALA 50 2.505 15.153 -10.025 410 HB1 ALA 50 1HB ALA 50 2.139 14.886 -12.206 411 HB2 ALA 50 2HB ALA 50 2.195 13.149 -11.901 412 HB3 ALA 50 3HB ALA 50 0.645 13.991 -11.924 413 H ASN 51 H ASN 51 0.890 16.673 -9.822 414 HA ASN 51 HA ASN 51 -0.898 17.590 -8.719 415 HB2 ASN 51 1HB ASN 51 -3.099 16.298 -9.523 416 HB3 ASN 51 2HB ASN 51 -2.189 17.361 -10.592 417 HD21 ASN 51 2HD2 ASN 51 -3.196 14.158 -9.945 418 HD22 ASN 51 1HD2 ASN 51 -2.481 13.413 -11.330 419 H GLY 52 H GLY 52 0.301 16.234 -6.845 420 HA2 GLY 52 1HA GLY 52 0.071 15.025 -4.901 421 HA3 GLY 52 2HA GLY 52 -1.576 15.636 -4.932 422 H LYS 53 H LYS 53 -0.137 13.436 -7.279 423 HA LYS 53 HA LYS 53 -1.702 11.219 -6.174 424 HB2 LYS 53 1HB LYS 53 -1.818 12.147 -9.049 425 HB3 LYS 53 2HB LYS 53 -2.497 10.636 -8.460 426 HG2 LYS 53 1HG LYS 53 -3.344 13.137 -7.114 427 HG3 LYS 53 2HG LYS 53 -3.953 12.828 -8.742 428 HD2 LYS 53 1HD LYS 53 -4.823 10.669 -8.023 429 HD3 LYS 53 2HD LYS 53 -4.171 10.930 -6.403 430 HE2 LYS 53 1HE LYS 53 -5.599 13.082 -6.430 431 HE3 LYS 53 2HE LYS 53 -6.447 12.319 -7.774 432 HZ1 LYS 53 3HZ LYS 53 -7.307 10.699 -6.433 433 HZ2 LYS 53 1HZ LYS 53 -7.252 11.983 -5.333 434 HZ3 LYS 53 2HZ LYS 53 -6.053 10.791 -5.300 435 H THR 54 H THR 54 -0.717 9.277 -6.317 436 HA THR 54 HA THR 54 1.904 9.216 -7.643 437 HB THR 54 HB THR 54 2.054 7.019 -6.184 438 HG1 THR 54 HG1 THR 54 0.821 7.146 -4.322 439 HG21 THR 54 3HG2 THR 54 2.282 9.790 -5.002 440 HG22 THR 54 1HG2 THR 54 3.518 8.967 -5.953 441 HG23 THR 54 2HG2 THR 54 3.054 8.335 -4.373 442 H TYR 55 H TYR 55 2.045 8.162 -9.503 443 HA TYR 55 HA TYR 55 0.328 5.811 -9.931 444 HB2 TYR 55 1HB TYR 55 -0.119 6.451 -12.185 445 HB3 TYR 55 2HB TYR 55 -0.465 7.857 -11.185 446 HD1 TYR 55 HD1 TYR 55 1.824 6.420 -13.667 447 HD2 TYR 55 HD2 TYR 55 0.894 9.851 -11.329 448 HE1 TYR 55 HE1 TYR 55 3.346 7.768 -15.051 449 HE2 TYR 55 HE2 TYR 55 2.412 11.209 -12.708 450 HH TYR 55 HH TYR 55 4.681 9.901 -14.777 451 H GLU 56 H GLU 56 1.273 4.072 -10.896 452 HA GLU 56 HA GLU 56 4.165 4.282 -11.382 453 HB2 GLU 56 1HB GLU 56 2.454 1.889 -10.691 454 HB3 GLU 56 2HB GLU 56 4.171 1.807 -11.059 455 HG2 GLU 56 1HG GLU 56 4.270 1.866 -8.795 456 HG3 GLU 56 2HG GLU 56 4.322 3.595 -9.133 457 H ARG 57 H ARG 57 5.097 3.352 -13.217 458 HA ARG 57 HA ARG 57 3.277 2.390 -15.302 459 HB2 ARG 57 1HB ARG 57 4.622 3.802 -16.953 460 HB3 ARG 57 2HB ARG 57 3.460 4.647 -15.939 461 HG2 ARG 57 1HG ARG 57 5.278 5.329 -14.441 462 HG3 ARG 57 2HG ARG 57 6.434 4.511 -15.494 463 HD2 ARG 57 1HD ARG 57 4.586 6.662 -16.489 464 HD3 ARG 57 2HD ARG 57 6.168 7.022 -15.800 465 HE ARG 57 HE ARG 57 6.539 5.100 -17.774 466 HH11 ARG 57 1HH1 ARG 57 5.467 8.402 -17.520 467 HH12 ARG 57 2HH1 ARG 57 6.008 8.837 -19.107 468 HH21 ARG 57 1HH2 ARG 57 7.255 5.660 -19.866 469 HH22 ARG 57 2HH2 ARG 57 7.024 7.276 -20.441 470 H GLN 58 H GLN 58 4.217 1.009 -16.823 471 HA GLN 58 HA GLN 58 6.761 -0.151 -15.956 472 HB2 GLN 58 1HB GLN 58 4.514 -1.193 -17.673 473 HB3 GLN 58 2HB GLN 58 6.061 -2.020 -17.545 474 HG2 GLN 58 1HG GLN 58 5.748 -2.471 -15.257 475 HG3 GLN 58 2HG GLN 58 4.397 -1.343 -15.142 476 HE21 GLN 58 2HE2 GLN 58 5.389 -4.277 -16.867 477 HE22 GLN 58 1HE2 GLN 58 3.829 -5.018 -16.856 478 H GLY 59 H GLY 59 8.543 -0.263 -17.240 479 HA2 GLY 59 1HA GLY 59 8.356 0.527 -20.042 480 HA3 GLY 59 2HA GLY 59 9.298 1.580 -18.997 481 H PHE 60 H PHE 60 10.786 0.743 -20.882 482 HA PHE 60 HA PHE 60 12.160 -1.686 -19.940 483 HB2 PHE 60 1HB PHE 60 12.221 -0.438 -22.696 484 HB3 PHE 60 2HB PHE 60 13.050 -1.914 -22.215 485 HD1 PHE 60 HD1 PHE 60 11.807 -3.966 -21.812 486 HD2 PHE 60 HD2 PHE 60 9.855 -0.410 -23.102 487 HE1 PHE 60 HE1 PHE 60 9.819 -5.282 -22.419 488 HE2 PHE 60 HE2 PHE 60 7.863 -1.720 -23.709 489 HZ PHE 60 HZ PHE 60 7.843 -4.159 -23.368 490 H VAL 61 H VAL 61 14.428 -1.688 -19.811 491 HA VAL 61 HA VAL 61 15.794 0.883 -20.111 492 HB VAL 61 HB VAL 61 16.919 0.557 -17.900 493 HG11 VAL 61 1HG1 VAL 61 14.035 0.795 -17.270 494 HG12 VAL 61 2HG1 VAL 61 15.381 1.854 -16.845 495 HG13 VAL 61 3HG1 VAL 61 14.693 1.908 -18.468 496 HG21 VAL 61 3HG2 VAL 61 16.131 -0.973 -16.308 497 HG22 VAL 61 1HG2 VAL 61 14.664 -1.307 -17.229 498 HG23 VAL 61 2HG2 VAL 61 16.221 -1.902 -17.805 499 HA PRO 62 HA PRO 62 19.103 -1.541 -21.680 500 HB2 PRO 62 1HB PRO 62 21.238 -0.012 -20.989 501 HB3 PRO 62 2HB PRO 62 20.109 0.439 -22.272 502 HG2 PRO 62 1HG PRO 62 20.224 1.381 -19.433 503 HG3 PRO 62 2HG PRO 62 19.950 2.319 -20.913 504 HD2 PRO 62 1HD PRO 62 17.933 1.562 -19.272 505 HD3 PRO 62 2HD PRO 62 17.726 1.723 -21.028 506 H ALA 63 H ALA 63 19.636 -3.430 -20.780 507 HA ALA 63 HA ALA 63 20.094 -3.855 -18.038 508 HB1 ALA 63 1HB ALA 63 20.992 -6.078 -18.792 509 HB2 ALA 63 2HB ALA 63 19.369 -5.687 -19.364 510 HB3 ALA 63 3HB ALA 63 20.749 -5.531 -20.451 511 H ALA 64 H ALA 64 22.103 -2.545 -20.432 512 HA ALA 64 HA ALA 64 24.619 -3.406 -19.351 513 HB1 ALA 64 1HB ALA 64 24.652 -2.893 -21.642 514 HB2 ALA 64 2HB ALA 64 23.841 -1.346 -21.394 515 HB3 ALA 64 3HB ALA 64 25.509 -1.562 -20.864 516 H TYR 65 H TYR 65 22.388 -0.850 -18.710 517 HA TYR 65 HA TYR 65 24.380 0.566 -17.081 518 HB2 TYR 65 1HB TYR 65 21.649 1.447 -18.036 519 HB3 TYR 65 2HB TYR 65 22.724 2.414 -17.033 520 HD1 TYR 65 HD1 TYR 65 25.277 1.431 -18.556 521 HD2 TYR 65 HD2 TYR 65 21.567 3.096 -19.806 522 HE1 TYR 65 HE1 TYR 65 26.364 2.320 -20.576 523 HE2 TYR 65 HE2 TYR 65 22.643 3.989 -21.830 524 HH TYR 65 HH TYR 65 25.900 4.283 -22.202 525 H VAL 66 H VAL 66 21.530 -1.370 -16.924 526 HA VAL 66 HA VAL 66 21.384 -0.924 -14.013 527 HB VAL 66 HB VAL 66 19.045 -1.598 -14.085 528 HG11 VAL 66 1HG1 VAL 66 20.079 0.725 -15.545 529 HG12 VAL 66 2HG1 VAL 66 18.398 0.321 -15.901 530 HG13 VAL 66 3HG1 VAL 66 18.897 0.637 -14.239 531 HG21 VAL 66 3HG2 VAL 66 19.757 -2.358 -16.822 532 HG22 VAL 66 1HG2 VAL 66 18.494 -2.982 -15.762 533 HG23 VAL 66 2HG2 VAL 66 18.220 -1.505 -16.685 534 H LYS 67 H LYS 67 21.461 -2.660 -12.671 535 HA LYS 67 HA LYS 67 21.656 -5.323 -13.916 536 HB2 LYS 67 1HB LYS 67 23.888 -4.710 -13.326 537 HB3 LYS 67 2HB LYS 67 23.377 -4.120 -11.750 538 HG2 LYS 67 1HG LYS 67 22.809 -6.409 -11.086 539 HG3 LYS 67 2HG LYS 67 23.355 -6.991 -12.661 540 HD2 LYS 67 1HD LYS 67 25.463 -7.049 -11.953 541 HD3 LYS 67 2HD LYS 67 25.388 -5.350 -11.480 542 HE2 LYS 67 1HE LYS 67 24.548 -7.726 -9.822 543 HE3 LYS 67 2HE LYS 67 25.971 -6.716 -9.569 544 HZ1 LYS 67 3HZ LYS 67 24.386 -5.939 -8.060 545 HZ2 LYS 67 1HZ LYS 67 23.127 -5.998 -9.189 546 HZ3 LYS 67 2HZ LYS 67 24.332 -4.818 -9.326 547 H LYS 68 H LYS 68 20.862 -7.069 -12.722 548 HA LYS 68 HA LYS 68 18.741 -6.392 -10.893 549 HB2 LYS 68 1HB LYS 68 19.634 -8.815 -12.352 550 HB3 LYS 68 2HB LYS 68 18.760 -9.084 -10.850 551 HG2 LYS 68 1HG LYS 68 16.915 -7.695 -11.704 552 HG3 LYS 68 2HG LYS 68 17.787 -7.515 -13.228 553 HD2 LYS 68 1HD LYS 68 16.859 -10.124 -12.027 554 HD3 LYS 68 2HD LYS 68 16.079 -9.270 -13.360 555 HE2 LYS 68 1HE LYS 68 18.873 -10.408 -13.355 556 HE3 LYS 68 2HE LYS 68 17.476 -11.079 -14.195 557 HZ1 LYS 68 3HZ LYS 68 19.262 -9.085 -15.068 558 HZ2 LYS 68 1HZ LYS 68 17.707 -8.425 -14.982 559 HZ3 LYS 68 2HZ LYS 68 17.988 -9.807 -15.915 560 H LEU 69 H LEU 69 18.534 -7.084 -8.746 561 HA LEU 69 HA LEU 69 21.094 -7.701 -7.430 562 HB2 LEU 69 1HB LEU 69 18.706 -6.109 -6.589 563 HB3 LEU 69 2HB LEU 69 19.769 -6.818 -5.375 564 HG LEU 69 HG LEU 69 21.659 -5.547 -6.346 565 HD11 LEU 69 1HD1 LEU 69 19.502 -4.337 -8.068 566 HD12 LEU 69 2HD1 LEU 69 20.884 -5.288 -8.612 567 HD13 LEU 69 3HD1 LEU 69 21.136 -3.696 -7.896 568 HD21 LEU 69 3HD2 LEU 69 19.526 -3.551 -5.755 569 HD22 LEU 69 1HD2 LEU 69 21.186 -3.636 -5.168 570 HD23 LEU 69 2HD2 LEU 69 19.965 -4.730 -4.518 571 H ASP 70 H ASP 70 20.005 -9.891 -8.416 572 HA ASP 70 HA ASP 70 18.033 -11.171 -6.862 573 HB2 ASP 70 1HB ASP 70 19.045 -13.288 -7.857 574 HB3 ASP 70 2HB ASP 70 18.471 -12.082 -9.005 Start of MODEL 8 1 H1 MET 1 H MET 1 5.645 3.411 -1.068 2 HA MET 1 HA MET 1 3.137 2.705 0.091 3 HB2 MET 1 1HB MET 1 3.561 2.268 -2.857 4 HB3 MET 1 2HB MET 1 2.478 1.246 -1.921 5 HG2 MET 1 1HG MET 1 2.156 4.201 -1.782 6 HG3 MET 1 2HG MET 1 1.586 3.338 -3.209 7 HE1 MET 1 3HE MET 1 -0.387 4.742 -2.448 8 HE2 MET 1 1HE MET 1 -1.733 3.970 -1.610 9 HE3 MET 1 2HE MET 1 -0.563 4.930 -0.703 10 H ASP 2 H ASP 2 2.859 0.210 -0.030 11 HA ASP 2 HA ASP 2 5.507 -0.955 0.480 12 HB2 ASP 2 1HB ASP 2 4.197 -2.711 1.726 13 HB3 ASP 2 2HB ASP 2 4.094 -1.090 2.406 14 H GLU 3 H GLU 3 4.847 -0.733 -2.175 15 HA GLU 3 HA GLU 3 4.262 -3.526 -2.913 16 HB2 GLU 3 1HB GLU 3 3.455 -2.569 -5.111 17 HB3 GLU 3 2HB GLU 3 2.432 -2.248 -3.717 18 HG2 GLU 3 1HG GLU 3 3.369 -0.004 -3.537 19 HG3 GLU 3 2HG GLU 3 4.406 -0.324 -4.926 20 H THR 4 H THR 4 6.750 -3.301 -2.385 21 HA THR 4 HA THR 4 8.099 -3.561 -4.884 22 HB THR 4 HB THR 4 9.868 -1.748 -3.872 23 HG1 THR 4 HG1 THR 4 8.648 -0.738 -2.395 24 HG21 THR 4 3HG2 THR 4 8.338 -2.067 -6.162 25 HG22 THR 4 1HG2 THR 4 9.614 -0.875 -5.916 26 HG23 THR 4 2HG2 THR 4 7.933 -0.444 -5.602 27 H GLY 5 H GLY 5 8.655 -5.586 -4.084 28 HA2 GLY 5 1HA GLY 5 11.069 -5.729 -2.611 29 HA3 GLY 5 2HA GLY 5 9.718 -6.164 -1.576 30 H LYS 6 H LYS 6 9.752 -6.829 -5.008 31 HA LYS 6 HA LYS 6 10.057 -9.695 -4.392 32 HB2 LYS 6 1HB LYS 6 8.682 -9.737 -6.718 33 HB3 LYS 6 2HB LYS 6 7.920 -9.783 -5.134 34 HG2 LYS 6 1HG LYS 6 6.763 -8.175 -6.433 35 HG3 LYS 6 2HG LYS 6 7.728 -7.291 -5.249 36 HD2 LYS 6 1HD LYS 6 9.366 -6.731 -6.894 37 HD3 LYS 6 2HD LYS 6 8.630 -7.815 -8.077 38 HE2 LYS 6 1HE LYS 6 7.429 -5.290 -6.946 39 HE3 LYS 6 2HE LYS 6 8.043 -5.523 -8.582 40 HZ1 LYS 6 3HZ LYS 6 5.566 -6.521 -7.368 41 HZ2 LYS 6 1HZ LYS 6 6.293 -7.438 -8.591 42 HZ3 LYS 6 2HZ LYS 6 5.818 -5.844 -8.898 43 H GLU 7 H GLU 7 11.155 -7.024 -6.214 44 HA GLU 7 HA GLU 7 13.434 -8.296 -7.175 45 HB2 GLU 7 1HB GLU 7 11.234 -9.075 -8.668 46 HB3 GLU 7 2HB GLU 7 11.944 -7.787 -9.632 47 HG2 GLU 7 1HG GLU 7 12.888 -9.821 -10.378 48 HG3 GLU 7 2HG GLU 7 14.134 -8.979 -9.458 49 H LEU 8 H LEU 8 14.815 -6.666 -7.302 50 HA LEU 8 HA LEU 8 13.961 -4.165 -8.576 51 HB2 LEU 8 1HB LEU 8 15.008 -4.555 -5.828 52 HB3 LEU 8 2HB LEU 8 15.572 -3.145 -6.721 53 HG LEU 8 HG LEU 8 12.639 -3.672 -6.477 54 HD11 LEU 8 1HD1 LEU 8 12.482 -2.630 -4.385 55 HD12 LEU 8 2HD1 LEU 8 14.165 -2.105 -4.422 56 HD13 LEU 8 3HD1 LEU 8 13.779 -3.812 -4.203 57 HD21 LEU 8 3HD2 LEU 8 13.706 -0.965 -6.234 58 HD22 LEU 8 1HD2 LEU 8 12.433 -1.596 -7.280 59 HD23 LEU 8 2HD2 LEU 8 14.124 -1.758 -7.754 60 H VAL 9 H VAL 9 15.580 -3.019 -9.638 61 HA VAL 9 HA VAL 9 18.145 -4.449 -9.915 62 HB VAL 9 HB VAL 9 18.277 -3.719 -12.211 63 HG11 VAL 9 1HG1 VAL 9 16.483 -5.587 -11.246 64 HG12 VAL 9 2HG1 VAL 9 15.538 -4.658 -12.411 65 HG13 VAL 9 3HG1 VAL 9 17.039 -5.436 -12.912 66 HG21 VAL 9 3HG2 VAL 9 15.810 -2.710 -12.909 67 HG22 VAL 9 1HG2 VAL 9 16.156 -1.910 -11.375 68 HG23 VAL 9 2HG2 VAL 9 17.294 -1.777 -12.717 69 H LEU 10 H LEU 10 20.033 -3.243 -10.046 70 HA LEU 10 HA LEU 10 19.820 -0.539 -8.960 71 HB2 LEU 10 1HB LEU 10 21.292 -1.901 -7.722 72 HB3 LEU 10 2HB LEU 10 22.070 -2.516 -9.179 73 HG LEU 10 HG LEU 10 23.047 -0.262 -9.546 74 HD11 LEU 10 1HD1 LEU 10 22.180 0.383 -6.746 75 HD12 LEU 10 2HD1 LEU 10 21.241 0.875 -8.155 76 HD13 LEU 10 3HD1 LEU 10 22.896 1.450 -7.953 77 HD21 LEU 10 3HD2 LEU 10 24.854 -0.753 -8.273 78 HD22 LEU 10 1HD2 LEU 10 23.970 -2.260 -8.027 79 HD23 LEU 10 2HD2 LEU 10 23.899 -0.987 -6.808 80 H ALA 11 H ALA 11 20.553 1.265 -9.984 81 HA ALA 11 HA ALA 11 21.134 0.985 -12.833 82 HB1 ALA 11 1HB ALA 11 20.337 3.339 -11.138 83 HB2 ALA 11 2HB ALA 11 20.811 3.487 -12.830 84 HB3 ALA 11 3HB ALA 11 19.396 2.530 -12.391 85 H LEU 12 H LEU 12 23.252 0.571 -13.147 86 HA LEU 12 HA LEU 12 25.325 1.699 -11.538 87 HB2 LEU 12 1HB LEU 12 25.704 0.485 -14.256 88 HB3 LEU 12 2HB LEU 12 26.835 0.525 -12.905 89 HG LEU 12 HG LEU 12 24.273 -1.059 -12.867 90 HD11 LEU 12 1HD1 LEU 12 25.311 -2.239 -14.501 91 HD12 LEU 12 2HD1 LEU 12 26.131 -2.948 -13.110 92 HD13 LEU 12 3HD1 LEU 12 26.919 -1.677 -14.044 93 HD21 LEU 12 3HD2 LEU 12 24.924 -0.867 -10.674 94 HD22 LEU 12 1HD2 LEU 12 26.638 -0.763 -11.077 95 HD23 LEU 12 2HD2 LEU 12 25.807 -2.317 -11.155 96 H TYR 13 H TYR 13 23.785 2.545 -14.555 97 HA TYR 13 HA TYR 13 25.446 4.973 -14.655 98 HB2 TYR 13 1HB TYR 13 24.603 3.195 -16.940 99 HB3 TYR 13 2HB TYR 13 25.140 4.853 -17.183 100 HD1 TYR 13 HD1 TYR 13 27.472 5.478 -16.762 101 HD2 TYR 13 HD2 TYR 13 26.162 1.451 -16.357 102 HE1 TYR 13 HE1 TYR 13 29.812 4.721 -16.790 103 HE2 TYR 13 HE2 TYR 13 28.498 0.682 -16.382 104 HH TYR 13 HH TYR 13 30.898 2.131 -17.513 105 H ASP 14 H ASP 14 24.300 6.514 -16.403 106 HA ASP 14 HA ASP 14 21.559 6.838 -15.409 107 HB2 ASP 14 1HB ASP 14 23.126 8.721 -15.059 108 HB3 ASP 14 2HB ASP 14 23.344 8.844 -16.803 109 H TYR 15 H TYR 15 19.951 7.725 -16.948 110 HA TYR 15 HA TYR 15 20.422 7.031 -19.745 111 HB2 TYR 15 1HB TYR 15 19.337 5.111 -18.285 112 HB3 TYR 15 2HB TYR 15 17.875 6.061 -18.521 113 HD1 TYR 15 HD2 TYR 15 20.747 5.068 -20.708 114 HD2 TYR 15 HD1 TYR 15 16.528 5.181 -20.165 115 HE1 TYR 15 HE2 TYR 15 20.440 4.036 -22.920 116 HE2 TYR 15 HE1 TYR 15 16.210 4.149 -22.375 117 HH TYR 15 HH TYR 15 18.295 4.105 -24.702 118 H GLN 16 H GLN 16 18.305 7.561 -21.029 119 HA GLN 16 HA GLN 16 16.783 9.761 -19.922 120 HB2 GLN 16 1HB GLN 16 19.135 10.373 -21.237 121 HB3 GLN 16 2HB GLN 16 17.919 10.549 -22.495 122 HG2 GLN 16 1HG GLN 16 17.640 12.607 -21.705 123 HG3 GLN 16 2HG GLN 16 16.762 11.841 -20.381 124 HE21 GLN 16 2HE2 GLN 16 17.295 12.974 -18.640 125 HE22 GLN 16 1HE2 GLN 16 18.906 13.312 -18.117 126 H GLU 17 H GLU 17 14.909 8.657 -20.315 127 HA GLU 17 HA GLU 17 14.239 7.129 -22.510 128 HB2 GLU 17 1HB GLU 17 11.897 7.550 -21.929 129 HB3 GLU 17 2HB GLU 17 12.863 7.243 -20.493 130 HG2 GLU 17 1HG GLU 17 13.023 9.749 -20.222 131 HG3 GLU 17 2HG GLU 17 11.784 9.867 -21.471 132 H LYS 18 H LYS 18 13.231 7.505 -24.473 133 HA LYS 18 HA LYS 18 13.195 10.313 -25.370 134 HB2 LYS 18 1HB LYS 18 13.608 9.172 -27.691 135 HB3 LYS 18 2HB LYS 18 14.956 9.467 -26.601 136 HG2 LYS 18 1HG LYS 18 15.115 7.257 -27.564 137 HG3 LYS 18 2HG LYS 18 14.827 7.146 -25.826 138 HD2 LYS 18 1HD LYS 18 12.616 6.458 -26.116 139 HD3 LYS 18 2HD LYS 18 12.551 7.054 -27.776 140 HE2 LYS 18 1HE LYS 18 14.311 5.296 -28.308 141 HE3 LYS 18 2HE LYS 18 13.956 4.613 -26.722 142 HZ1 LYS 18 3HZ LYS 18 12.000 3.798 -27.419 143 HZ2 LYS 18 1HZ LYS 18 12.680 3.928 -28.963 144 HZ3 LYS 18 2HZ LYS 18 11.646 5.138 -28.391 145 H SER 19 H SER 19 11.359 7.609 -24.762 146 HA SER 19 HA SER 19 9.179 8.645 -26.434 147 HB2 SER 19 1HB SER 19 8.806 6.688 -27.510 148 HB3 SER 19 2HB SER 19 10.477 6.325 -27.081 149 HG SER 19 HG SER 19 8.485 4.881 -26.450 150 HA PRO 20 HA PRO 20 6.635 8.324 -22.875 151 HB2 PRO 20 1HB PRO 20 4.261 7.525 -23.920 152 HB3 PRO 20 2HB PRO 20 4.912 9.152 -24.149 153 HG2 PRO 20 1HG PRO 20 4.983 6.806 -26.007 154 HG3 PRO 20 2HG PRO 20 4.642 8.509 -26.367 155 HD2 PRO 20 1HD PRO 20 7.055 7.374 -26.840 156 HD3 PRO 20 2HD PRO 20 6.875 9.082 -26.388 157 H ARG 21 H ARG 21 7.203 5.538 -24.812 158 HA ARG 21 HA ARG 21 6.015 3.768 -22.796 159 HB2 ARG 21 1HB ARG 21 5.753 3.620 -25.453 160 HB3 ARG 21 2HB ARG 21 7.229 2.679 -25.282 161 HG2 ARG 21 1HG ARG 21 6.185 0.987 -24.145 162 HG3 ARG 21 2HG ARG 21 4.909 2.040 -23.532 163 HD2 ARG 21 1HD ARG 21 3.787 0.791 -25.119 164 HD3 ARG 21 2HD ARG 21 4.227 2.237 -26.027 165 HE ARG 21 HE ARG 21 6.271 0.373 -26.357 166 HH11 ARG 21 1HH1 ARG 21 2.904 0.742 -27.160 167 HH12 ARG 21 2HH1 ARG 21 3.005 -0.226 -28.593 168 HH21 ARG 21 1HH2 ARG 21 6.417 -0.904 -28.242 169 HH22 ARG 21 2HH2 ARG 21 5.003 -1.162 -29.207 170 H GLU 22 H GLU 22 8.578 5.293 -22.539 171 HA GLU 22 HA GLU 22 10.256 2.993 -21.830 172 HB2 GLU 22 1HB GLU 22 10.911 4.290 -24.019 173 HB3 GLU 22 2HB GLU 22 11.551 5.474 -22.889 174 HG2 GLU 22 1HG GLU 22 13.380 4.144 -23.358 175 HG3 GLU 22 2HG GLU 22 12.790 3.489 -21.831 176 H VAL 23 H VAL 23 11.813 3.431 -20.150 177 HA VAL 23 HA VAL 23 11.015 5.699 -18.444 178 HB VAL 23 HB VAL 23 11.924 4.259 -16.550 179 HG11 VAL 23 1HG1 VAL 23 9.641 4.482 -16.477 180 HG12 VAL 23 2HG1 VAL 23 9.410 3.766 -18.073 181 HG13 VAL 23 3HG1 VAL 23 9.790 2.738 -16.690 182 HG21 VAL 23 3HG2 VAL 23 12.851 2.653 -18.509 183 HG22 VAL 23 1HG2 VAL 23 12.532 2.108 -16.862 184 HG23 VAL 23 2HG2 VAL 23 11.333 1.840 -18.128 185 H THR 24 H THR 24 12.890 5.974 -16.674 186 HA THR 24 HA THR 24 15.526 5.842 -17.910 187 HB THR 24 HB THR 24 14.354 8.061 -18.520 188 HG1 THR 24 HG1 THR 24 16.795 8.472 -17.165 189 HG21 THR 24 3HG2 THR 24 15.318 9.149 -15.953 190 HG22 THR 24 1HG2 THR 24 13.824 8.217 -15.875 191 HG23 THR 24 2HG2 THR 24 13.932 9.621 -16.936 192 H MET 25 H MET 25 17.227 6.710 -16.356 193 HA MET 25 HA MET 25 16.561 6.806 -13.572 194 HB2 MET 25 1HB MET 25 18.157 4.776 -13.139 195 HB3 MET 25 2HB MET 25 16.458 4.500 -13.498 196 HG2 MET 25 1HG MET 25 17.698 2.942 -14.767 197 HG3 MET 25 2HG MET 25 17.109 4.167 -15.889 198 HE1 MET 25 3HE MET 25 20.011 3.307 -17.739 199 HE2 MET 25 1HE MET 25 20.434 2.236 -16.402 200 HE3 MET 25 2HE MET 25 18.751 2.396 -16.904 201 H LYS 26 H LYS 26 18.683 6.728 -12.232 202 HA LYS 26 HA LYS 26 20.904 7.885 -13.769 203 HB2 LYS 26 1HB LYS 26 20.063 9.010 -11.106 204 HB3 LYS 26 2HB LYS 26 21.158 9.711 -12.290 205 HG2 LYS 26 1HG LYS 26 19.351 10.984 -12.737 206 HG3 LYS 26 2HG LYS 26 18.946 9.617 -13.778 207 HD2 LYS 26 1HD LYS 26 17.392 8.764 -12.246 208 HD3 LYS 26 2HD LYS 26 18.038 9.732 -10.919 209 HE2 LYS 26 1HE LYS 26 17.201 11.761 -11.971 210 HE3 LYS 26 2HE LYS 26 16.605 10.823 -13.339 211 HZ1 LYS 26 3HZ LYS 26 14.717 10.585 -12.232 212 HZ2 LYS 26 1HZ LYS 26 15.356 11.326 -10.851 213 HZ3 LYS 26 2HZ LYS 26 15.531 9.659 -11.074 214 H LYS 27 H LYS 27 22.952 7.934 -12.527 215 HA LYS 27 HA LYS 27 23.672 5.454 -11.563 216 HB2 LYS 27 1HB LYS 27 24.870 8.184 -11.280 217 HB3 LYS 27 2HB LYS 27 25.576 6.835 -10.400 218 HG2 LYS 27 1HG LYS 27 26.824 6.702 -12.279 219 HG3 LYS 27 2HG LYS 27 25.460 5.714 -12.808 220 HD2 LYS 27 1HD LYS 27 24.535 7.489 -14.061 221 HD3 LYS 27 2HD LYS 27 25.584 8.681 -13.290 222 HE2 LYS 27 1HE LYS 27 26.881 6.458 -14.765 223 HE3 LYS 27 2HE LYS 27 26.070 7.700 -15.717 224 HZ1 LYS 27 3HZ LYS 27 28.145 8.594 -15.523 225 HZ2 LYS 27 1HZ LYS 27 28.433 7.924 -13.997 226 HZ3 LYS 27 2HZ LYS 27 27.424 9.273 -14.152 227 H GLY 28 H GLY 28 22.790 4.426 -9.884 228 HA2 GLY 28 1HA GLY 28 22.808 4.104 -7.505 229 HA3 GLY 28 2HA GLY 28 22.699 5.847 -7.308 230 H ASP 29 H ASP 29 20.668 4.666 -9.744 231 HA ASP 29 HA ASP 29 18.348 5.043 -7.997 232 HB2 ASP 29 1HB ASP 29 18.754 5.176 -10.972 233 HB3 ASP 29 2HB ASP 29 17.138 4.998 -10.293 234 H ILE 30 H ILE 30 16.807 3.498 -7.675 235 HA ILE 30 HA ILE 30 17.411 0.820 -8.749 236 HB ILE 30 HB ILE 30 15.900 1.395 -6.204 237 HG12 ILE 30 1HG1 ILE 30 18.823 0.679 -6.531 238 HG13 ILE 30 2HG1 ILE 30 18.208 2.252 -6.033 239 HG21 ILE 30 1HG2 ILE 30 15.685 -0.822 -5.968 240 HG22 ILE 30 2HG2 ILE 30 16.017 -0.881 -7.698 241 HG23 ILE 30 3HG2 ILE 30 17.322 -1.140 -6.540 242 HD11 ILE 30 3HD1 ILE 30 18.669 -0.138 -4.475 243 HD12 ILE 30 1HD1 ILE 30 18.431 1.528 -3.950 244 HD13 ILE 30 2HD1 ILE 30 17.037 0.492 -4.257 245 H LEU 31 H LEU 31 15.857 -0.279 -9.805 246 HA LEU 31 HA LEU 31 13.127 0.818 -9.787 247 HB2 LEU 31 1HB LEU 31 14.716 -0.107 -12.173 248 HB3 LEU 31 2HB LEU 31 12.985 0.225 -12.204 249 HG LEU 31 HG LEU 31 14.009 2.124 -13.131 250 HD11 LEU 31 1HD1 LEU 31 12.459 2.325 -10.921 251 HD12 LEU 31 2HD1 LEU 31 12.986 3.695 -11.898 252 HD13 LEU 31 3HD1 LEU 31 13.866 3.268 -10.431 253 HD21 LEU 31 3HD2 LEU 31 15.757 3.004 -11.033 254 HD22 LEU 31 1HD2 LEU 31 16.117 2.691 -12.731 255 HD23 LEU 31 2HD2 LEU 31 16.208 1.380 -11.555 256 H THR 32 H THR 32 11.534 -0.637 -9.554 257 HA THR 32 HA THR 32 12.150 -3.308 -8.837 258 HB THR 32 HB THR 32 9.359 -2.680 -9.617 259 HG1 THR 32 HG1 THR 32 9.146 -1.020 -8.309 260 HG21 THR 32 3HG2 THR 32 10.611 -3.808 -7.110 261 HG22 THR 32 1HG2 THR 32 9.959 -4.753 -8.448 262 HG23 THR 32 2HG2 THR 32 8.886 -3.750 -7.471 263 H LEU 33 H LEU 33 12.631 -4.919 -10.166 264 HA LEU 33 HA LEU 33 12.215 -4.794 -12.973 265 HB2 LEU 33 1HB LEU 33 14.084 -5.999 -11.918 266 HB3 LEU 33 2HB LEU 33 12.939 -7.161 -11.251 267 HG LEU 33 HG LEU 33 14.280 -7.819 -13.340 268 HD11 LEU 33 1HD1 LEU 33 11.695 -8.454 -12.424 269 HD12 LEU 33 2HD1 LEU 33 12.776 -9.443 -13.404 270 HD13 LEU 33 3HD1 LEU 33 11.609 -8.376 -14.184 271 HD21 LEU 33 3HD2 LEU 33 12.130 -6.519 -14.915 272 HD22 LEU 33 1HD2 LEU 33 13.783 -6.930 -15.372 273 HD23 LEU 33 2HD2 LEU 33 13.472 -5.508 -14.376 274 H LEU 34 H LEU 34 10.599 -5.542 -14.208 275 HA LEU 34 HA LEU 34 8.427 -7.007 -12.864 276 HB2 LEU 34 1HB LEU 34 8.460 -4.860 -14.914 277 HB3 LEU 34 2HB LEU 34 7.186 -6.074 -15.019 278 HG LEU 34 HG LEU 34 6.393 -4.111 -13.844 279 HD11 LEU 34 1HD1 LEU 34 6.513 -5.726 -11.477 280 HD12 LEU 34 2HD1 LEU 34 6.283 -6.745 -12.897 281 HD13 LEU 34 3HD1 LEU 34 5.155 -5.431 -12.564 282 HD21 LEU 34 3HD2 LEU 34 8.700 -4.628 -11.974 283 HD22 LEU 34 1HD2 LEU 34 7.371 -3.518 -11.641 284 HD23 LEU 34 2HD2 LEU 34 8.454 -3.214 -13.000 285 H ASN 35 H ASN 35 10.397 -6.790 -15.774 286 HA ASN 35 HA ASN 35 9.811 -9.597 -16.325 287 HB2 ASN 35 1HB ASN 35 8.437 -7.742 -17.728 288 HB3 ASN 35 2HB ASN 35 9.885 -7.858 -18.723 289 HD21 ASN 35 2HD2 ASN 35 8.351 -8.667 -20.316 290 HD22 ASN 35 1HD2 ASN 35 7.949 -10.347 -20.308 291 H SER 36 H SER 36 11.509 -10.717 -17.173 292 HA SER 36 HA SER 36 13.884 -9.207 -18.007 293 HB2 SER 36 1HB SER 36 15.346 -10.572 -16.648 294 HB3 SER 36 2HB SER 36 14.110 -9.870 -15.604 295 HG SER 36 HG SER 36 12.964 -11.952 -16.011 296 H THR 37 H THR 37 11.781 -10.796 -19.387 297 HA THR 37 HA THR 37 12.669 -13.308 -20.184 298 HB THR 37 HB THR 37 10.440 -12.496 -20.749 299 HG1 THR 37 HG1 THR 37 10.408 -13.623 -22.576 300 HG21 THR 37 3HG2 THR 37 11.323 -10.138 -21.286 301 HG22 THR 37 1HG2 THR 37 9.996 -10.766 -22.262 302 HG23 THR 37 2HG2 THR 37 11.640 -10.776 -22.899 303 H ASN 38 H ASN 38 13.655 -10.118 -21.239 304 HA ASN 38 HA ASN 38 15.367 -11.272 -23.314 305 HB2 ASN 38 1HB ASN 38 13.832 -9.083 -23.455 306 HB3 ASN 38 2HB ASN 38 15.301 -8.337 -22.834 307 HD21 ASN 38 2HD2 ASN 38 14.526 -10.863 -25.209 308 HD22 ASN 38 1HD2 ASN 38 15.502 -10.207 -26.474 309 H LYS 39 H LYS 39 17.566 -10.080 -23.508 310 HA LYS 39 HA LYS 39 18.792 -10.008 -20.828 311 HB2 LYS 39 1HB LYS 39 20.912 -10.669 -22.097 312 HB3 LYS 39 2HB LYS 39 19.678 -11.906 -21.899 313 HG2 LYS 39 1HG LYS 39 18.981 -11.706 -24.147 314 HG3 LYS 39 2HG LYS 39 19.905 -10.219 -24.375 315 HD2 LYS 39 1HD LYS 39 21.172 -11.904 -25.423 316 HD3 LYS 39 2HD LYS 39 21.974 -11.615 -23.877 317 HE2 LYS 39 1HE LYS 39 21.858 -13.973 -24.189 318 HE3 LYS 39 2HE LYS 39 20.680 -13.549 -22.948 319 HZ1 LYS 39 3HZ LYS 39 18.992 -14.232 -24.217 320 HZ2 LYS 39 1HZ LYS 39 20.162 -15.056 -25.120 321 HZ3 LYS 39 2HZ LYS 39 19.618 -13.537 -25.626 322 H ASP 40 H ASP 40 18.436 -8.426 -23.893 323 HA ASP 40 HA ASP 40 20.566 -6.541 -23.491 324 HB2 ASP 40 1HB ASP 40 18.269 -6.629 -25.453 325 HB3 ASP 40 2HB ASP 40 19.501 -5.370 -25.453 326 H TRP 41 H TRP 41 17.011 -6.344 -23.400 327 HA TRP 41 HA TRP 41 17.285 -4.035 -21.595 328 HB2 TRP 41 1HB TRP 41 15.137 -4.326 -23.704 329 HB3 TRP 41 2HB TRP 41 15.405 -2.943 -22.646 330 HD1 TRP 41 HD1 TRP 41 17.144 -4.781 -25.574 331 HE1 TRP 41 HE1 TRP 41 18.576 -3.065 -26.852 332 HE3 TRP 41 HE3 TRP 41 16.456 -0.727 -22.536 333 HZ2 TRP 41 HZ2 TRP 41 19.317 -0.352 -26.604 334 HZ3 TRP 41 HZ3 TRP 41 17.562 1.391 -23.127 335 HH2 TRP 41 HH2 TRP 41 18.962 1.572 -25.119 336 H TRP 42 H TRP 42 15.879 -3.940 -19.883 337 HA TRP 42 HA TRP 42 14.081 -6.254 -19.562 338 HB2 TRP 42 1HB TRP 42 15.573 -4.747 -17.403 339 HB3 TRP 42 2HB TRP 42 14.495 -6.117 -17.148 340 HD1 TRP 42 HD1 TRP 42 15.770 -7.738 -19.759 341 HE1 TRP 42 HE1 TRP 42 18.013 -8.943 -19.385 342 HE3 TRP 42 HE3 TRP 42 17.368 -5.208 -15.615 343 HZ2 TRP 42 HZ2 TRP 42 20.174 -8.835 -17.572 344 HZ3 TRP 42 HZ3 TRP 42 19.534 -5.820 -14.621 345 HH2 TRP 42 HH2 TRP 42 20.907 -7.597 -15.581 346 H LYS 43 H LYS 43 12.163 -5.903 -18.270 347 HA LYS 43 HA LYS 43 11.094 -3.207 -18.671 348 HB2 LYS 43 1HB LYS 43 9.813 -5.071 -19.617 349 HB3 LYS 43 2HB LYS 43 9.687 -5.805 -18.024 350 HG2 LYS 43 1HG LYS 43 7.668 -4.785 -18.103 351 HG3 LYS 43 2HG LYS 43 8.615 -3.451 -17.440 352 HD2 LYS 43 1HD LYS 43 7.717 -2.279 -19.139 353 HD3 LYS 43 2HD LYS 43 8.969 -3.066 -20.103 354 HE2 LYS 43 1HE LYS 43 7.494 -4.518 -21.080 355 HE3 LYS 43 2HE LYS 43 6.397 -4.502 -19.700 356 HZ1 LYS 43 3HZ LYS 43 5.307 -2.699 -20.472 357 HZ2 LYS 43 1HZ LYS 43 5.872 -3.253 -21.967 358 HZ3 LYS 43 2HZ LYS 43 6.683 -2.003 -21.167 359 H VAL 44 H VAL 44 11.248 -1.869 -17.001 360 HA VAL 44 HA VAL 44 10.891 -2.963 -14.286 361 HB VAL 44 HB VAL 44 12.294 -1.193 -13.425 362 HG11 VAL 44 1HG1 VAL 44 14.452 -1.771 -14.627 363 HG12 VAL 44 2HG1 VAL 44 13.522 -3.127 -13.985 364 HG13 VAL 44 3HG1 VAL 44 13.468 -2.756 -15.709 365 HG21 VAL 44 3HG2 VAL 44 12.562 -0.284 -16.290 366 HG22 VAL 44 1HG2 VAL 44 11.706 0.564 -15.002 367 HG23 VAL 44 2HG2 VAL 44 13.457 0.370 -14.918 368 H GLU 45 H GLU 45 9.901 -1.507 -12.720 369 HA GLU 45 HA GLU 45 7.920 0.256 -13.999 370 HB2 GLU 45 1HB GLU 45 6.862 -1.617 -12.910 371 HB3 GLU 45 2HB GLU 45 7.770 -1.329 -11.432 372 HG2 GLU 45 1HG GLU 45 6.560 0.642 -10.958 373 HG3 GLU 45 2HG GLU 45 5.844 0.674 -12.568 374 H VAL 46 H VAL 46 7.735 2.336 -13.368 375 HA VAL 46 HA VAL 46 9.542 3.251 -11.225 376 HB VAL 46 HB VAL 46 8.540 5.004 -13.454 377 HG11 VAL 46 1HG1 VAL 46 10.771 5.160 -11.446 378 HG12 VAL 46 2HG1 VAL 46 10.710 6.194 -12.875 379 HG13 VAL 46 3HG1 VAL 46 9.420 6.270 -11.675 380 HG21 VAL 46 3HG2 VAL 46 11.003 3.266 -13.434 381 HG22 VAL 46 1HG2 VAL 46 9.658 3.206 -14.573 382 HG23 VAL 46 2HG2 VAL 46 10.740 4.598 -14.559 383 H LYS 47 H LYS 47 8.842 5.154 -10.023 384 HA LYS 47 HA LYS 47 5.923 5.163 -9.661 385 HB2 LYS 47 1HB LYS 47 8.230 5.453 -7.808 386 HB3 LYS 47 2HB LYS 47 6.784 6.384 -7.439 387 HG2 LYS 47 1HG LYS 47 6.434 3.508 -8.062 388 HG3 LYS 47 2HG LYS 47 7.172 3.931 -6.515 389 HD2 LYS 47 1HD LYS 47 5.128 5.624 -6.438 390 HD3 LYS 47 2HD LYS 47 4.413 4.416 -7.507 391 HE2 LYS 47 1HE LYS 47 3.831 3.909 -5.223 392 HE3 LYS 47 2HE LYS 47 4.935 2.677 -5.831 393 HZ1 LYS 47 3HZ LYS 47 5.250 3.927 -3.502 394 HZ2 LYS 47 1HZ LYS 47 6.183 4.929 -4.496 395 HZ3 LYS 47 2HZ LYS 47 6.534 3.278 -4.393 396 H ALA 48 H ALA 48 4.789 7.092 -9.521 397 HA ALA 48 HA ALA 48 6.233 9.595 -9.927 398 HB1 ALA 48 1HB ALA 48 5.844 8.909 -12.186 399 HB2 ALA 48 2HB ALA 48 4.152 8.551 -11.839 400 HB3 ALA 48 3HB ALA 48 4.724 10.219 -11.809 401 H THR 49 H THR 49 4.837 11.497 -9.669 402 HA THR 49 HA THR 49 2.343 10.970 -8.216 403 HB THR 49 HB THR 49 4.223 13.064 -7.178 404 HG1 THR 49 HG1 THR 49 4.366 10.276 -6.812 405 HG21 THR 49 3HG2 THR 49 2.113 11.374 -5.832 406 HG22 THR 49 1HG2 THR 49 1.862 13.012 -6.435 407 HG23 THR 49 2HG2 THR 49 2.996 12.721 -5.115 408 H ALA 50 H ALA 50 0.736 12.204 -8.932 409 HA ALA 50 HA ALA 50 1.160 14.943 -9.726 410 HB1 ALA 50 1HB ALA 50 0.038 13.107 -11.823 411 HB2 ALA 50 2HB ALA 50 0.548 14.787 -11.992 412 HB3 ALA 50 3HB ALA 50 1.751 13.521 -11.747 413 H ASN 51 H ASN 51 -0.767 16.136 -9.880 414 HA ASN 51 HA ASN 51 -2.881 16.710 -9.268 415 HB2 ASN 51 1HB ASN 51 -3.789 13.926 -9.943 416 HB3 ASN 51 2HB ASN 51 -4.631 15.454 -10.185 417 HD21 ASN 51 2HD2 ASN 51 -2.800 13.064 -11.622 418 HD22 ASN 51 1HD2 ASN 51 -2.411 13.880 -13.095 419 H GLY 52 H GLY 52 -1.136 15.593 -7.253 420 HA2 GLY 52 1HA GLY 52 -1.280 15.072 -5.019 421 HA3 GLY 52 2HA GLY 52 -3.020 15.279 -5.157 422 H LYS 53 H LYS 53 -1.486 13.017 -7.259 423 HA LYS 53 HA LYS 53 -2.246 10.784 -5.509 424 HB2 LYS 53 1HB LYS 53 -3.115 11.261 -8.349 425 HB3 LYS 53 2HB LYS 53 -3.056 9.637 -7.674 426 HG2 LYS 53 1HG LYS 53 -4.554 11.811 -6.271 427 HG3 LYS 53 2HG LYS 53 -5.278 10.941 -7.625 428 HD2 LYS 53 1HD LYS 53 -4.114 9.591 -5.194 429 HD3 LYS 53 2HD LYS 53 -5.821 10.010 -5.361 430 HE2 LYS 53 1HE LYS 53 -5.542 8.698 -7.642 431 HE3 LYS 53 2HE LYS 53 -4.219 7.932 -6.763 432 HZ1 LYS 53 3HZ LYS 53 -7.041 7.568 -6.475 433 HZ2 LYS 53 1HZ LYS 53 -6.293 7.907 -4.996 434 HZ3 LYS 53 2HZ LYS 53 -5.768 6.597 -5.928 435 H THR 54 H THR 54 -1.252 8.732 -6.115 436 HA THR 54 HA THR 54 1.334 9.144 -7.467 437 HB THR 54 HB THR 54 1.807 6.908 -6.066 438 HG1 THR 54 HG1 THR 54 -0.286 6.949 -5.087 439 HG21 THR 54 3HG2 THR 54 2.008 9.325 -4.392 440 HG22 THR 54 1HG2 THR 54 2.711 9.459 -6.003 441 HG23 THR 54 2HG2 THR 54 3.260 8.193 -4.905 442 H TYR 55 H TYR 55 1.802 7.942 -9.201 443 HA TYR 55 HA TYR 55 0.267 5.487 -9.687 444 HB2 TYR 55 1HB TYR 55 -0.044 6.096 -12.037 445 HB3 TYR 55 2HB TYR 55 -0.796 7.286 -10.981 446 HD1 TYR 55 HD2 TYR 55 0.337 9.490 -10.620 447 HD2 TYR 55 HD1 TYR 55 1.679 6.708 -13.546 448 HE1 TYR 55 HE2 TYR 55 1.593 11.284 -11.741 449 HE2 TYR 55 HE1 TYR 55 2.939 8.493 -14.674 450 HH TYR 55 HH TYR 55 2.528 11.343 -14.635 451 H GLU 56 H GLU 56 1.309 3.937 -10.997 452 HA GLU 56 HA GLU 56 4.214 4.357 -11.235 453 HB2 GLU 56 1HB GLU 56 2.668 1.784 -10.875 454 HB3 GLU 56 2HB GLU 56 4.410 1.892 -11.082 455 HG2 GLU 56 1HG GLU 56 4.638 3.079 -9.007 456 HG3 GLU 56 2HG GLU 56 2.887 3.160 -8.819 457 H ARG 57 H ARG 57 5.269 3.812 -13.115 458 HA ARG 57 HA ARG 57 3.579 2.980 -15.379 459 HB2 ARG 57 1HB ARG 57 5.031 4.463 -16.810 460 HB3 ARG 57 2HB ARG 57 3.958 5.308 -15.703 461 HG2 ARG 57 1HG ARG 57 5.819 5.658 -14.160 462 HG3 ARG 57 2HG ARG 57 6.896 4.810 -15.272 463 HD2 ARG 57 1HD ARG 57 5.459 7.417 -15.723 464 HD3 ARG 57 2HD ARG 57 7.199 7.150 -15.615 465 HE ARG 57 HE ARG 57 6.433 5.608 -17.717 466 HH11 ARG 57 1HH1 ARG 57 6.027 8.966 -16.892 467 HH12 ARG 57 2HH1 ARG 57 6.005 9.503 -18.539 468 HH21 ARG 57 1HH2 ARG 57 6.405 6.302 -19.889 469 HH22 ARG 57 2HH2 ARG 57 6.219 7.987 -20.243 470 H GLN 58 H GLN 58 4.373 1.398 -16.645 471 HA GLN 58 HA GLN 58 6.930 0.224 -15.869 472 HB2 GLN 58 1HB GLN 58 4.621 -0.795 -17.519 473 HB3 GLN 58 2HB GLN 58 6.142 -1.666 -17.375 474 HG2 GLN 58 1HG GLN 58 5.828 -2.057 -15.085 475 HG3 GLN 58 2HG GLN 58 4.547 -0.852 -14.971 476 HE21 GLN 58 2HE2 GLN 58 5.336 -3.882 -16.630 477 HE22 GLN 58 1HE2 GLN 58 3.736 -4.531 -16.575 478 H GLY 59 H GLY 59 8.696 0.165 -17.143 479 HA2 GLY 59 1HA GLY 59 8.440 0.882 -19.972 480 HA3 GLY 59 2HA GLY 59 9.465 1.891 -18.962 481 H PHE 60 H PHE 60 10.872 1.004 -20.868 482 HA PHE 60 HA PHE 60 12.145 -1.499 -19.980 483 HB2 PHE 60 1HB PHE 60 12.210 -0.237 -22.730 484 HB3 PHE 60 2HB PHE 60 12.959 -1.764 -22.275 485 HD1 PHE 60 HD2 PHE 60 11.613 -3.744 -21.887 486 HD2 PHE 60 HD1 PHE 60 9.831 -0.059 -23.052 487 HE1 PHE 60 HE2 PHE 60 9.536 -4.933 -22.458 488 HE2 PHE 60 HE1 PHE 60 7.751 -1.241 -23.624 489 HZ PHE 60 HZ PHE 60 7.601 -3.682 -23.328 490 H VAL 61 H VAL 61 14.369 -1.588 -19.757 491 HA VAL 61 HA VAL 61 15.876 0.899 -20.143 492 HB VAL 61 HB VAL 61 17.005 0.531 -17.938 493 HG11 VAL 61 1HG1 VAL 61 15.567 1.945 -16.908 494 HG12 VAL 61 2HG1 VAL 61 14.831 1.986 -18.511 495 HG13 VAL 61 3HG1 VAL 61 14.159 0.943 -17.257 496 HG21 VAL 61 3HG2 VAL 61 14.671 -1.297 -17.386 497 HG22 VAL 61 1HG2 VAL 61 16.319 -1.843 -17.698 498 HG23 VAL 61 2HG2 VAL 61 15.969 -0.864 -16.273 499 HA PRO 62 HA PRO 62 19.044 -1.705 -21.713 500 HB2 PRO 62 1HB PRO 62 21.261 -0.284 -21.051 501 HB3 PRO 62 2HB PRO 62 20.147 0.214 -22.330 502 HG2 PRO 62 1HG PRO 62 20.332 1.173 -19.500 503 HG3 PRO 62 2HG PRO 62 20.095 2.111 -20.986 504 HD2 PRO 62 1HD PRO 62 18.055 1.475 -19.324 505 HD3 PRO 62 2HD PRO 62 17.843 1.631 -21.080 506 H ALA 63 H ALA 63 19.444 -3.615 -20.779 507 HA ALA 63 HA ALA 63 19.928 -4.024 -18.041 508 HB1 ALA 63 1HB ALA 63 20.447 -5.786 -20.427 509 HB2 ALA 63 2HB ALA 63 20.639 -6.315 -18.755 510 HB3 ALA 63 3HB ALA 63 19.054 -5.816 -19.346 511 H ALA 64 H ALA 64 21.975 -2.901 -20.500 512 HA ALA 64 HA ALA 64 24.448 -3.907 -19.451 513 HB1 ALA 64 1HB ALA 64 25.491 -2.338 -21.044 514 HB2 ALA 64 2HB ALA 64 24.282 -3.374 -21.801 515 HB3 ALA 64 3HB ALA 64 23.893 -1.696 -21.424 516 H TYR 65 H TYR 65 22.402 -1.208 -18.796 517 HA TYR 65 HA TYR 65 24.518 0.087 -17.219 518 HB2 TYR 65 1HB TYR 65 21.869 1.146 -18.221 519 HB3 TYR 65 2HB TYR 65 22.958 2.044 -17.168 520 HD1 TYR 65 HD2 TYR 65 25.545 1.069 -18.514 521 HD2 TYR 65 HD1 TYR 65 21.916 2.659 -20.066 522 HE1 TYR 65 HE2 TYR 65 26.760 1.907 -20.482 523 HE2 TYR 65 HE1 TYR 65 23.121 3.500 -22.038 524 HH TYR 65 HH TYR 65 26.304 2.552 -22.789 525 H VAL 66 H VAL 66 21.685 -1.784 -16.972 526 HA VAL 66 HA VAL 66 21.569 -1.251 -14.075 527 HB VAL 66 HB VAL 66 19.200 -1.594 -14.053 528 HG11 VAL 66 1HG1 VAL 66 18.650 0.463 -14.786 529 HG12 VAL 66 2HG1 VAL 66 20.380 0.597 -15.112 530 HG13 VAL 66 3HG1 VAL 66 19.267 0.163 -16.411 531 HG21 VAL 66 3HG2 VAL 66 19.620 -2.463 -16.880 532 HG22 VAL 66 1HG2 VAL 66 18.698 -3.238 -15.591 533 HG23 VAL 66 2HG2 VAL 66 18.060 -1.801 -16.392 534 H LYS 67 H LYS 67 21.512 -2.993 -12.739 535 HA LYS 67 HA LYS 67 21.415 -5.658 -13.990 536 HB2 LYS 67 1HB LYS 67 23.733 -5.095 -13.435 537 HB3 LYS 67 2HB LYS 67 23.264 -4.753 -11.775 538 HG2 LYS 67 1HG LYS 67 24.144 -6.874 -11.614 539 HG3 LYS 67 2HG LYS 67 22.416 -7.199 -11.770 540 HD2 LYS 67 1HD LYS 67 23.544 -8.707 -13.224 541 HD3 LYS 67 2HD LYS 67 22.795 -7.473 -14.240 542 HE2 LYS 67 1HE LYS 67 24.845 -6.421 -14.666 543 HE3 LYS 67 2HE LYS 67 25.640 -7.229 -13.315 544 HZ1 LYS 67 3HZ LYS 67 24.628 -8.674 -15.698 545 HZ2 LYS 67 1HZ LYS 67 25.646 -9.268 -14.484 546 HZ3 LYS 67 2HZ LYS 67 26.214 -8.101 -15.568 547 H LYS 68 H LYS 68 20.285 -7.219 -12.923 548 HA LYS 68 HA LYS 68 18.383 -6.378 -10.975 549 HB2 LYS 68 1HB LYS 68 17.567 -8.654 -11.047 550 HB3 LYS 68 2HB LYS 68 17.914 -8.110 -12.683 551 HG2 LYS 68 1HG LYS 68 20.205 -9.259 -12.314 552 HG3 LYS 68 2HG LYS 68 19.374 -10.102 -11.005 553 HD2 LYS 68 1HD LYS 68 19.080 -11.532 -12.812 554 HD3 LYS 68 2HD LYS 68 17.574 -10.611 -12.793 555 HE2 LYS 68 1HE LYS 68 18.188 -9.337 -14.641 556 HE3 LYS 68 2HE LYS 68 19.902 -9.700 -14.443 557 HZ1 LYS 68 3HZ LYS 68 19.333 -11.029 -16.207 558 HZ2 LYS 68 1HZ LYS 68 17.779 -11.357 -15.622 559 HZ3 LYS 68 2HZ LYS 68 19.123 -12.110 -14.923 560 H LEU 69 H LEU 69 18.171 -7.016 -8.818 561 HA LEU 69 HA LEU 69 20.709 -7.682 -7.523 562 HB2 LEU 69 1HB LEU 69 18.197 -6.329 -6.661 563 HB3 LEU 69 2HB LEU 69 19.209 -7.104 -5.443 564 HG LEU 69 HG LEU 69 21.061 -5.654 -6.002 565 HD11 LEU 69 1HD1 LEU 69 20.610 -5.462 -8.409 566 HD12 LEU 69 2HD1 LEU 69 20.869 -3.890 -7.652 567 HD13 LEU 69 3HD1 LEU 69 19.235 -4.414 -8.057 568 HD21 LEU 69 3HD2 LEU 69 20.195 -4.224 -4.545 569 HD22 LEU 69 1HD2 LEU 69 18.570 -4.786 -4.938 570 HD23 LEU 69 2HD2 LEU 69 19.285 -3.453 -5.845 571 H ASP 70 H ASP 70 18.859 -9.622 -8.882 572 HA ASP 70 HA ASP 70 17.702 -11.218 -6.802 573 HB2 ASP 70 1HB ASP 70 16.648 -11.398 -8.910 574 HB3 ASP 70 2HB ASP 70 18.178 -11.655 -9.745 Start of MODEL 9 1 H1 MET 1 H MET 1 -0.767 -2.251 -5.908 2 HA MET 1 HA MET 1 1.111 -0.064 -6.148 3 HB2 MET 1 1HB MET 1 0.450 0.813 -3.852 4 HB3 MET 1 2HB MET 1 -0.627 1.210 -5.184 5 HG2 MET 1 1HG MET 1 -2.275 -0.242 -4.457 6 HG3 MET 1 2HG MET 1 -1.151 -1.189 -3.486 7 HE1 MET 1 3HE MET 1 -2.293 3.116 -2.304 8 HE2 MET 1 1HE MET 1 -1.327 2.653 -3.705 9 HE3 MET 1 2HE MET 1 -3.061 2.335 -3.687 10 H ASP 2 H ASP 2 2.327 0.060 -3.856 11 HA ASP 2 HA ASP 2 3.892 -1.001 -2.583 12 HB2 ASP 2 1HB ASP 2 1.632 -2.977 -2.197 13 HB3 ASP 2 2HB ASP 2 3.053 -2.826 -1.167 14 H GLU 3 H GLU 3 3.993 -1.593 -5.362 15 HA GLU 3 HA GLU 3 4.540 -4.435 -5.586 16 HB2 GLU 3 1HB GLU 3 4.621 -2.141 -7.536 17 HB3 GLU 3 2HB GLU 3 5.230 -3.736 -7.954 18 HG2 GLU 3 1HG GLU 3 2.454 -3.382 -6.899 19 HG3 GLU 3 2HG GLU 3 2.823 -3.113 -8.601 20 H THR 4 H THR 4 6.280 -4.619 -4.109 21 HA THR 4 HA THR 4 8.848 -4.226 -5.308 22 HB THR 4 HB THR 4 9.484 -3.020 -2.941 23 HG1 THR 4 HG1 THR 4 7.956 -1.373 -2.618 24 HG21 THR 4 3HG2 THR 4 8.692 -1.402 -5.345 25 HG22 THR 4 1HG2 THR 4 10.091 -2.475 -5.376 26 HG23 THR 4 2HG2 THR 4 10.030 -1.136 -4.228 27 H GLY 5 H GLY 5 9.395 -6.319 -4.999 28 HA2 GLY 5 1HA GLY 5 10.582 -7.301 -2.794 29 HA3 GLY 5 2HA GLY 5 8.888 -7.634 -2.465 30 H LYS 6 H LYS 6 10.511 -7.731 -5.601 31 HA LYS 6 HA LYS 6 10.208 -10.655 -5.622 32 HB2 LYS 6 1HB LYS 6 9.728 -9.267 -8.188 33 HB3 LYS 6 2HB LYS 6 8.954 -10.697 -7.517 34 HG2 LYS 6 1HG LYS 6 7.211 -9.237 -7.452 35 HG3 LYS 6 2HG LYS 6 7.908 -8.943 -5.857 36 HD2 LYS 6 1HD LYS 6 9.289 -7.115 -7.062 37 HD3 LYS 6 2HD LYS 6 8.073 -7.263 -8.334 38 HE2 LYS 6 1HE LYS 6 7.317 -6.834 -5.459 39 HE3 LYS 6 2HE LYS 6 7.705 -5.486 -6.526 40 HZ1 LYS 6 3HZ LYS 6 5.268 -6.251 -6.287 41 HZ2 LYS 6 1HZ LYS 6 5.711 -7.486 -7.355 42 HZ3 LYS 6 2HZ LYS 6 5.859 -5.869 -7.825 43 H GLU 7 H GLU 7 11.643 -7.834 -7.232 44 HA GLU 7 HA GLU 7 14.252 -8.837 -7.195 45 HB2 GLU 7 1HB GLU 7 12.827 -10.217 -9.055 46 HB3 GLU 7 2HB GLU 7 13.447 -8.893 -10.032 47 HG2 GLU 7 1HG GLU 7 14.909 -10.838 -10.114 48 HG3 GLU 7 2HG GLU 7 15.717 -9.447 -9.393 49 H LEU 8 H LEU 8 14.854 -6.782 -6.683 50 HA LEU 8 HA LEU 8 14.147 -4.599 -8.490 51 HB2 LEU 8 1HB LEU 8 15.178 -4.802 -5.713 52 HB3 LEU 8 2HB LEU 8 15.599 -3.364 -6.641 53 HG LEU 8 HG LEU 8 12.736 -4.192 -6.439 54 HD11 LEU 8 1HD1 LEU 8 14.220 -2.626 -4.333 55 HD12 LEU 8 2HD1 LEU 8 13.587 -4.260 -4.141 56 HD13 LEU 8 3HD1 LEU 8 12.480 -2.911 -4.394 57 HD21 LEU 8 3HD2 LEU 8 13.398 -1.391 -6.182 58 HD22 LEU 8 1HD2 LEU 8 12.379 -2.204 -7.370 59 HD23 LEU 8 2HD2 LEU 8 14.120 -2.095 -7.630 60 H VAL 9 H VAL 9 15.647 -3.369 -9.602 61 HA VAL 9 HA VAL 9 18.333 -4.565 -9.818 62 HB VAL 9 HB VAL 9 18.441 -3.784 -12.096 63 HG11 VAL 9 1HG1 VAL 9 15.770 -4.892 -12.348 64 HG12 VAL 9 2HG1 VAL 9 17.324 -5.561 -12.849 65 HG13 VAL 9 3HG1 VAL 9 16.760 -5.783 -11.192 66 HG21 VAL 9 3HG2 VAL 9 15.759 -2.529 -11.531 67 HG22 VAL 9 1HG2 VAL 9 17.261 -1.710 -11.957 68 HG23 VAL 9 2HG2 VAL 9 16.437 -2.717 -13.148 69 H LEU 10 H LEU 10 20.134 -3.222 -9.927 70 HA LEU 10 HA LEU 10 19.721 -0.562 -8.784 71 HB2 LEU 10 1HB LEU 10 21.266 -1.795 -7.530 72 HB3 LEU 10 2HB LEU 10 22.076 -2.409 -8.970 73 HG LEU 10 HG LEU 10 22.986 -0.150 -9.382 74 HD11 LEU 10 1HD1 LEU 10 22.365 1.664 -8.246 75 HD12 LEU 10 2HD1 LEU 10 22.462 0.833 -6.694 76 HD13 LEU 10 3HD1 LEU 10 21.005 0.696 -7.677 77 HD21 LEU 10 3HD2 LEU 10 24.590 -0.164 -7.510 78 HD22 LEU 10 1HD2 LEU 10 24.334 -1.769 -8.195 79 HD23 LEU 10 2HD2 LEU 10 23.568 -1.330 -6.668 80 H ALA 11 H ALA 11 20.472 1.310 -9.720 81 HA ALA 11 HA ALA 11 20.968 1.157 -12.589 82 HB1 ALA 11 1HB ALA 11 19.269 2.706 -11.923 83 HB2 ALA 11 2HB ALA 11 20.359 3.485 -10.776 84 HB3 ALA 11 3HB ALA 11 20.654 3.627 -12.509 85 H LEU 12 H LEU 12 23.022 0.904 -13.184 86 HA LEU 12 HA LEU 12 25.213 1.799 -11.555 87 HB2 LEU 12 1HB LEU 12 25.378 0.817 -14.390 88 HB3 LEU 12 2HB LEU 12 26.628 0.770 -13.148 89 HG LEU 12 HG LEU 12 24.085 -0.847 -13.036 90 HD11 LEU 12 1HD1 LEU 12 26.832 -1.665 -13.971 91 HD12 LEU 12 2HD1 LEU 12 25.389 -1.521 -14.973 92 HD13 LEU 12 3HD1 LEU 12 25.467 -2.751 -13.712 93 HD21 LEU 12 3HD2 LEU 12 25.983 -2.115 -11.547 94 HD22 LEU 12 1HD2 LEU 12 24.750 -1.030 -10.904 95 HD23 LEU 12 2HD2 LEU 12 26.368 -0.419 -11.252 96 H TYR 13 H TYR 13 23.846 2.724 -14.696 97 HA TYR 13 HA TYR 13 25.375 5.238 -14.520 98 HB2 TYR 13 1HB TYR 13 24.510 3.716 -16.986 99 HB3 TYR 13 2HB TYR 13 25.252 5.313 -17.008 100 HD1 TYR 13 HD2 TYR 13 27.614 5.590 -16.347 101 HD2 TYR 13 HD1 TYR 13 25.820 1.742 -16.624 102 HE1 TYR 13 HE2 TYR 13 29.846 4.557 -16.372 103 HE2 TYR 13 HE1 TYR 13 28.047 0.699 -16.648 104 HH TYR 13 HH TYR 13 30.691 2.026 -17.413 105 H ASP 14 H ASP 14 24.214 6.830 -16.264 106 HA ASP 14 HA ASP 14 21.486 7.114 -15.228 107 HB2 ASP 14 1HB ASP 14 21.721 9.470 -16.169 108 HB3 ASP 14 2HB ASP 14 22.758 9.067 -14.803 109 H TYR 15 H TYR 15 19.777 7.793 -16.661 110 HA TYR 15 HA TYR 15 20.215 7.244 -19.503 111 HB2 TYR 15 1HB TYR 15 19.315 5.212 -18.117 112 HB3 TYR 15 2HB TYR 15 17.790 6.090 -18.172 113 HD1 TYR 15 HD1 TYR 15 20.505 5.425 -20.662 114 HD2 TYR 15 HD2 TYR 15 16.358 5.195 -19.736 115 HE1 TYR 15 HE1 TYR 15 20.062 4.503 -22.899 116 HE2 TYR 15 HE2 TYR 15 15.904 4.272 -21.970 117 HH TYR 15 HH TYR 15 16.791 3.989 -24.060 118 H GLN 16 H GLN 16 18.098 7.733 -20.746 119 HA GLN 16 HA GLN 16 16.453 9.787 -19.533 120 HB2 GLN 16 1HB GLN 16 18.701 10.713 -20.639 121 HB3 GLN 16 2HB GLN 16 17.721 10.606 -22.096 122 HG2 GLN 16 1HG GLN 16 17.170 12.707 -21.508 123 HG3 GLN 16 2HG GLN 16 15.980 11.864 -20.517 124 HE21 GLN 16 2HE2 GLN 16 16.367 11.638 -18.286 125 HE22 GLN 16 1HE2 GLN 16 17.455 12.690 -17.454 126 H GLU 17 H GLU 17 14.605 8.685 -19.960 127 HA GLU 17 HA GLU 17 13.987 7.153 -22.168 128 HB2 GLU 17 1HB GLU 17 11.607 7.591 -21.613 129 HB3 GLU 17 2HB GLU 17 12.574 7.149 -20.213 130 HG2 GLU 17 1HG GLU 17 11.287 8.893 -19.424 131 HG3 GLU 17 2HG GLU 17 12.805 9.685 -19.843 132 H LYS 18 H LYS 18 12.809 7.531 -24.081 133 HA LYS 18 HA LYS 18 12.594 10.331 -24.939 134 HB2 LYS 18 1HB LYS 18 13.818 10.041 -26.871 135 HB3 LYS 18 2HB LYS 18 14.708 9.009 -25.759 136 HG2 LYS 18 1HG LYS 18 12.673 8.121 -27.793 137 HG3 LYS 18 2HG LYS 18 14.421 7.890 -27.872 138 HD2 LYS 18 1HD LYS 18 12.571 6.723 -25.792 139 HD3 LYS 18 2HD LYS 18 13.289 5.849 -27.147 140 HE2 LYS 18 1HE LYS 18 14.821 7.198 -24.924 141 HE3 LYS 18 2HE LYS 18 14.495 5.469 -25.034 142 HZ1 LYS 18 3HZ LYS 18 16.225 7.121 -26.770 143 HZ2 LYS 18 1HZ LYS 18 15.660 5.607 -27.270 144 HZ3 LYS 18 2HZ LYS 18 16.632 5.734 -25.892 145 H SER 19 H SER 19 10.942 7.684 -24.294 146 HA SER 19 HA SER 19 8.935 8.246 -26.354 147 HB2 SER 19 1HB SER 19 8.852 6.141 -27.185 148 HB3 SER 19 2HB SER 19 10.486 6.003 -26.536 149 HG SER 19 HG SER 19 8.943 4.314 -25.912 150 HA PRO 20 HA PRO 20 6.007 8.134 -23.091 151 HB2 PRO 20 1HB PRO 20 3.848 6.996 -24.281 152 HB3 PRO 20 2HB PRO 20 4.394 8.637 -24.648 153 HG2 PRO 20 1HG PRO 20 4.875 6.097 -26.158 154 HG3 PRO 20 2HG PRO 20 4.451 7.704 -26.778 155 HD2 PRO 20 1HD PRO 20 6.984 6.748 -26.822 156 HD3 PRO 20 2HD PRO 20 6.618 8.474 -26.624 157 H ARG 21 H ARG 21 6.903 5.164 -24.637 158 HA ARG 21 HA ARG 21 5.796 3.624 -22.387 159 HB2 ARG 21 1HB ARG 21 5.338 3.144 -24.972 160 HB3 ARG 21 2HB ARG 21 6.848 2.258 -24.812 161 HG2 ARG 21 1HG ARG 21 5.336 0.612 -24.349 162 HG3 ARG 21 2HG ARG 21 5.661 1.216 -22.724 163 HD2 ARG 21 1HD ARG 21 3.313 1.011 -22.891 164 HD3 ARG 21 2HD ARG 21 3.665 2.733 -23.024 165 HE ARG 21 HE ARG 21 3.591 1.767 -25.606 166 HH11 ARG 21 1HH1 ARG 21 1.407 1.976 -22.903 167 HH12 ARG 21 2HH1 ARG 21 -0.013 2.084 -23.891 168 HH21 ARG 21 1HH2 ARG 21 1.730 1.908 -26.917 169 HH22 ARG 21 2HH2 ARG 21 0.172 2.044 -26.174 170 H GLU 22 H GLU 22 8.214 5.151 -22.172 171 HA GLU 22 HA GLU 22 10.058 2.962 -21.545 172 HB2 GLU 22 1HB GLU 22 10.651 4.110 -23.748 173 HB3 GLU 22 2HB GLU 22 11.036 5.529 -22.785 174 HG2 GLU 22 1HG GLU 22 12.911 4.598 -21.899 175 HG3 GLU 22 2HG GLU 22 12.283 2.955 -22.008 176 H VAL 23 H VAL 23 11.488 3.383 -19.824 177 HA VAL 23 HA VAL 23 10.718 5.700 -18.172 178 HB VAL 23 HB VAL 23 11.594 4.282 -16.246 179 HG11 VAL 23 1HG1 VAL 23 9.100 3.680 -17.791 180 HG12 VAL 23 2HG1 VAL 23 9.458 2.831 -16.286 181 HG13 VAL 23 3HG1 VAL 23 9.290 4.587 -16.292 182 HG21 VAL 23 3HG2 VAL 23 11.021 1.876 -17.887 183 HG22 VAL 23 1HG2 VAL 23 12.592 2.651 -18.089 184 HG23 VAL 23 2HG2 VAL 23 12.092 2.073 -16.499 185 H THR 24 H THR 24 12.587 5.962 -16.383 186 HA THR 24 HA THR 24 15.230 5.786 -17.594 187 HB THR 24 HB THR 24 14.045 8.021 -18.221 188 HG1 THR 24 HG1 THR 24 16.222 9.077 -17.630 189 HG21 THR 24 3HG2 THR 24 15.139 8.994 -15.627 190 HG22 THR 24 1HG2 THR 24 13.526 8.283 -15.643 191 HG23 THR 24 2HG2 THR 24 13.881 9.686 -16.651 192 H MET 25 H MET 25 16.958 6.385 -16.078 193 HA MET 25 HA MET 25 16.281 6.666 -13.288 194 HB2 MET 25 1HB MET 25 16.934 4.606 -12.490 195 HB3 MET 25 2HB MET 25 16.181 4.142 -14.010 196 HG2 MET 25 1HG MET 25 19.132 4.516 -13.558 197 HG3 MET 25 2HG MET 25 18.287 2.972 -13.635 198 HE1 MET 25 3HE MET 25 16.576 3.010 -16.796 199 HE2 MET 25 1HE MET 25 17.953 1.909 -16.845 200 HE3 MET 25 2HE MET 25 17.057 2.133 -15.343 201 H LYS 26 H LYS 26 18.315 6.670 -11.920 202 HA LYS 26 HA LYS 26 20.613 7.648 -13.481 203 HB2 LYS 26 1HB LYS 26 19.091 9.366 -12.174 204 HB3 LYS 26 2HB LYS 26 20.016 8.801 -10.789 205 HG2 LYS 26 1HG LYS 26 21.958 9.746 -11.520 206 HG3 LYS 26 2HG LYS 26 21.503 9.632 -13.221 207 HD2 LYS 26 1HD LYS 26 21.473 11.943 -12.608 208 HD3 LYS 26 2HD LYS 26 19.799 11.415 -12.801 209 HE2 LYS 26 1HE LYS 26 19.384 11.471 -10.526 210 HE3 LYS 26 2HE LYS 26 21.089 11.314 -10.107 211 HZ1 LYS 26 3HZ LYS 26 20.479 13.526 -9.641 212 HZ2 LYS 26 1HZ LYS 26 19.687 13.717 -11.124 213 HZ3 LYS 26 2HZ LYS 26 21.373 13.596 -11.075 214 H LYS 27 H LYS 27 22.675 7.581 -12.285 215 HA LYS 27 HA LYS 27 23.271 5.069 -11.306 216 HB2 LYS 27 1HB LYS 27 25.348 6.164 -10.362 217 HB3 LYS 27 2HB LYS 27 25.056 6.430 -12.076 218 HG2 LYS 27 1HG LYS 27 23.828 8.498 -10.487 219 HG3 LYS 27 2HG LYS 27 25.551 8.355 -10.132 220 HD2 LYS 27 1HD LYS 27 25.627 8.212 -12.813 221 HD3 LYS 27 2HD LYS 27 24.181 9.205 -12.611 222 HE2 LYS 27 1HE LYS 27 25.758 10.484 -10.906 223 HE3 LYS 27 2HE LYS 27 27.015 9.798 -11.934 224 HZ1 LYS 27 3HZ LYS 27 24.795 11.078 -13.306 225 HZ2 LYS 27 1HZ LYS 27 26.450 11.112 -13.656 226 HZ3 LYS 27 2HZ LYS 27 25.821 12.108 -12.442 227 H GLY 28 H GLY 28 22.993 4.056 -9.422 228 HA2 GLY 28 1HA GLY 28 22.958 3.866 -7.074 229 HA3 GLY 28 2HA GLY 28 22.753 5.607 -6.958 230 H ASP 29 H ASP 29 20.641 4.668 -9.265 231 HA ASP 29 HA ASP 29 18.405 4.831 -7.429 232 HB2 ASP 29 1HB ASP 29 18.555 4.716 -10.446 233 HB3 ASP 29 2HB ASP 29 17.046 4.827 -9.545 234 H ILE 30 H ILE 30 16.505 3.346 -7.816 235 HA ILE 30 HA ILE 30 17.321 0.625 -8.539 236 HB ILE 30 HB ILE 30 15.807 1.215 -5.997 237 HG12 ILE 30 1HG1 ILE 30 18.723 0.481 -6.345 238 HG13 ILE 30 2HG1 ILE 30 18.116 2.050 -5.827 239 HG21 ILE 30 1HG2 ILE 30 15.471 -0.978 -5.844 240 HG22 ILE 30 2HG2 ILE 30 16.026 -1.100 -7.513 241 HG23 ILE 30 3HG2 ILE 30 17.165 -1.329 -6.187 242 HD11 ILE 30 3HD1 ILE 30 16.947 0.376 -4.027 243 HD12 ILE 30 1HD1 ILE 30 18.498 -0.413 -4.313 244 HD13 ILE 30 2HD1 ILE 30 18.448 1.265 -3.769 245 H LEU 31 H LEU 31 15.806 -0.476 -9.634 246 HA LEU 31 HA LEU 31 13.050 0.556 -9.616 247 HB2 LEU 31 1HB LEU 31 14.674 -0.319 -11.998 248 HB3 LEU 31 2HB LEU 31 12.935 -0.034 -12.037 249 HG LEU 31 HG LEU 31 13.916 1.895 -12.951 250 HD11 LEU 31 1HD1 LEU 31 13.695 2.970 -10.213 251 HD12 LEU 31 2HD1 LEU 31 12.308 2.060 -10.810 252 HD13 LEU 31 3HD1 LEU 31 12.889 3.468 -11.700 253 HD21 LEU 31 3HD2 LEU 31 15.618 2.814 -10.832 254 HD22 LEU 31 1HD2 LEU 31 16.002 2.521 -12.528 255 HD23 LEU 31 2HD2 LEU 31 16.120 1.207 -11.358 256 H THR 32 H THR 32 11.411 -0.958 -9.807 257 HA THR 32 HA THR 32 12.095 -3.622 -8.963 258 HB THR 32 HB THR 32 9.407 -2.402 -9.622 259 HG1 THR 32 HG1 THR 32 9.760 -1.525 -7.726 260 HG21 THR 32 3HG2 THR 32 10.214 -5.140 -9.030 261 HG22 THR 32 1HG2 THR 32 8.684 -4.523 -9.652 262 HG23 THR 32 2HG2 THR 32 8.993 -4.528 -7.916 263 H LEU 33 H LEU 33 12.709 -5.141 -10.348 264 HA LEU 33 HA LEU 33 12.279 -4.978 -13.149 265 HB2 LEU 33 1HB LEU 33 14.165 -6.152 -11.888 266 HB3 LEU 33 2HB LEU 33 13.023 -7.473 -11.652 267 HG LEU 33 HG LEU 33 14.634 -7.790 -13.538 268 HD11 LEU 33 1HD1 LEU 33 12.087 -7.759 -14.948 269 HD12 LEU 33 2HD1 LEU 33 11.981 -8.466 -13.337 270 HD13 LEU 33 3HD1 LEU 33 13.126 -9.115 -14.510 271 HD21 LEU 33 3HD2 LEU 33 14.580 -6.497 -15.457 272 HD22 LEU 33 1HD2 LEU 33 14.399 -5.291 -14.183 273 HD23 LEU 33 2HD2 LEU 33 12.987 -5.833 -15.090 274 H LEU 34 H LEU 34 10.747 -5.852 -14.425 275 HA LEU 34 HA LEU 34 8.662 -7.470 -13.116 276 HB2 LEU 34 1HB LEU 34 8.417 -5.509 -15.390 277 HB3 LEU 34 2HB LEU 34 7.114 -6.552 -14.824 278 HG LEU 34 HG LEU 34 8.414 -4.278 -13.331 279 HD11 LEU 34 1HD1 LEU 34 6.835 -3.109 -14.375 280 HD12 LEU 34 2HD1 LEU 34 5.671 -3.966 -13.365 281 HD13 LEU 34 3HD1 LEU 34 6.046 -4.565 -14.981 282 HD21 LEU 34 3HD2 LEU 34 6.574 -6.455 -12.412 283 HD22 LEU 34 1HD2 LEU 34 6.538 -4.862 -11.658 284 HD23 LEU 34 2HD2 LEU 34 8.022 -5.815 -11.634 285 H ASN 35 H ASN 35 10.302 -6.865 -16.210 286 HA ASN 35 HA ASN 35 9.979 -9.717 -16.839 287 HB2 ASN 35 1HB ASN 35 8.477 -7.861 -18.104 288 HB3 ASN 35 2HB ASN 35 9.906 -7.844 -19.133 289 HD21 ASN 35 2HD2 ASN 35 8.410 -8.648 -20.750 290 HD22 ASN 35 1HD2 ASN 35 8.084 -10.343 -20.826 291 H SER 36 H SER 36 11.861 -10.657 -17.254 292 HA SER 36 HA SER 36 14.068 -8.998 -18.284 293 HB2 SER 36 1HB SER 36 15.622 -10.393 -16.946 294 HB3 SER 36 2HB SER 36 14.484 -9.505 -15.935 295 HG SER 36 HG SER 36 14.781 -12.210 -16.292 296 H THR 37 H THR 37 12.074 -10.813 -19.590 297 HA THR 37 HA THR 37 13.183 -13.241 -20.361 298 HB THR 37 HB THR 37 10.877 -12.656 -20.896 299 HG1 THR 37 HG1 THR 37 11.894 -14.222 -22.220 300 HG21 THR 37 3HG2 THR 37 11.602 -10.233 -21.531 301 HG22 THR 37 1HG2 THR 37 10.228 -10.975 -22.350 302 HG23 THR 37 2HG2 THR 37 11.801 -10.914 -23.146 303 H ASN 38 H ASN 38 13.811 -9.995 -21.532 304 HA ASN 38 HA ASN 38 15.534 -10.989 -23.661 305 HB2 ASN 38 1HB ASN 38 13.907 -8.847 -23.603 306 HB3 ASN 38 2HB ASN 38 15.401 -8.084 -23.066 307 HD21 ASN 38 2HD2 ASN 38 14.654 -10.628 -25.424 308 HD22 ASN 38 1HD2 ASN 38 15.461 -9.870 -26.750 309 H LYS 39 H LYS 39 17.679 -9.737 -23.901 310 HA LYS 39 HA LYS 39 19.017 -9.696 -21.275 311 HB2 LYS 39 1HB LYS 39 21.034 -10.475 -22.368 312 HB3 LYS 39 2HB LYS 39 19.710 -11.574 -22.731 313 HG2 LYS 39 1HG LYS 39 19.430 -10.336 -24.906 314 HG3 LYS 39 2HG LYS 39 20.949 -9.517 -24.537 315 HD2 LYS 39 1HD LYS 39 21.731 -11.271 -25.785 316 HD3 LYS 39 2HD LYS 39 21.799 -11.986 -24.173 317 HE2 LYS 39 1HE LYS 39 19.439 -12.843 -24.653 318 HE3 LYS 39 2HE LYS 39 19.758 -12.422 -26.334 319 HZ1 LYS 39 3HZ LYS 39 20.457 -14.756 -25.047 320 HZ2 LYS 39 1HZ LYS 39 21.911 -13.914 -25.247 321 HZ3 LYS 39 2HZ LYS 39 20.943 -14.261 -26.590 322 H ASP 40 H ASP 40 18.374 -7.995 -24.197 323 HA ASP 40 HA ASP 40 20.497 -6.068 -23.864 324 HB2 ASP 40 1HB ASP 40 18.098 -6.100 -25.707 325 HB3 ASP 40 2HB ASP 40 19.383 -4.897 -25.757 326 H TRP 41 H TRP 41 16.946 -6.007 -23.605 327 HA TRP 41 HA TRP 41 17.216 -3.787 -21.697 328 HB2 TRP 41 1HB TRP 41 15.049 -3.946 -23.799 329 HB3 TRP 41 2HB TRP 41 15.337 -2.630 -22.664 330 HD1 TRP 41 HD1 TRP 41 17.026 -4.294 -25.723 331 HE1 TRP 41 HE1 TRP 41 18.449 -2.511 -26.914 332 HE3 TRP 41 HE3 TRP 41 16.405 -0.429 -22.434 333 HZ2 TRP 41 HZ2 TRP 41 19.209 0.178 -26.512 334 HZ3 TRP 41 HZ3 TRP 41 17.514 1.715 -22.911 335 HH2 TRP 41 HH2 TRP 41 18.887 2.010 -24.908 336 H TRP 42 H TRP 42 15.770 -3.776 -19.999 337 HA TRP 42 HA TRP 42 13.983 -6.113 -19.823 338 HB2 TRP 42 1HB TRP 42 15.479 -4.795 -17.547 339 HB3 TRP 42 2HB TRP 42 14.437 -6.210 -17.430 340 HD1 TRP 42 HD1 TRP 42 15.730 -7.559 -20.169 341 HE1 TRP 42 HE1 TRP 42 18.011 -8.726 -19.924 342 HE3 TRP 42 HE3 TRP 42 17.314 -5.345 -15.842 343 HZ2 TRP 42 HZ2 TRP 42 20.193 -8.711 -18.133 344 HZ3 TRP 42 HZ3 TRP 42 19.510 -5.977 -14.929 345 HH2 TRP 42 HH2 TRP 42 20.917 -7.626 -16.052 346 H LYS 43 H LYS 43 12.126 -5.835 -18.370 347 HA LYS 43 HA LYS 43 11.051 -3.120 -18.610 348 HB2 LYS 43 1HB LYS 43 9.639 -4.765 -19.611 349 HB3 LYS 43 2HB LYS 43 9.740 -5.806 -18.197 350 HG2 LYS 43 1HG LYS 43 7.960 -4.842 -17.305 351 HG3 LYS 43 2HG LYS 43 8.709 -3.249 -17.431 352 HD2 LYS 43 1HD LYS 43 7.244 -4.656 -19.662 353 HD3 LYS 43 2HD LYS 43 6.555 -3.397 -18.634 354 HE2 LYS 43 1HE LYS 43 8.259 -1.828 -19.418 355 HE3 LYS 43 2HE LYS 43 8.956 -3.087 -20.435 356 HZ1 LYS 43 3HZ LYS 43 6.164 -2.120 -20.697 357 HZ2 LYS 43 1HZ LYS 43 6.996 -3.146 -21.755 358 HZ3 LYS 43 2HZ LYS 43 7.454 -1.524 -21.615 359 H VAL 44 H VAL 44 10.704 -1.865 -16.890 360 HA VAL 44 HA VAL 44 10.674 -3.104 -14.221 361 HB VAL 44 HB VAL 44 11.947 -1.180 -13.336 362 HG11 VAL 44 1HG1 VAL 44 13.456 -2.582 -15.537 363 HG12 VAL 44 2HG1 VAL 44 14.109 -1.931 -14.032 364 HG13 VAL 44 3HG1 VAL 44 13.034 -3.329 -13.996 365 HG21 VAL 44 3HG2 VAL 44 11.289 0.190 -15.489 366 HG22 VAL 44 1HG2 VAL 44 12.786 0.523 -14.618 367 HG23 VAL 44 2HG2 VAL 44 12.819 -0.450 -16.088 368 H GLU 45 H GLU 45 9.690 -1.735 -12.552 369 HA GLU 45 HA GLU 45 7.582 -0.025 -13.695 370 HB2 GLU 45 1HB GLU 45 7.121 -2.276 -12.360 371 HB3 GLU 45 2HB GLU 45 7.305 -1.210 -10.974 372 HG2 GLU 45 1HG GLU 45 5.428 0.016 -11.493 373 HG3 GLU 45 2HG GLU 45 5.477 -0.432 -13.197 374 H VAL 46 H VAL 46 7.863 2.063 -13.324 375 HA VAL 46 HA VAL 46 9.304 2.890 -10.892 376 HB VAL 46 HB VAL 46 9.896 4.940 -12.027 377 HG11 VAL 46 1HG1 VAL 46 11.002 2.555 -12.522 378 HG12 VAL 46 2HG1 VAL 46 10.533 2.998 -14.164 379 HG13 VAL 46 3HG1 VAL 46 11.596 4.054 -13.234 380 HG21 VAL 46 3HG2 VAL 46 9.302 5.336 -14.371 381 HG22 VAL 46 1HG2 VAL 46 8.323 3.869 -14.368 382 HG23 VAL 46 2HG2 VAL 46 7.868 5.235 -13.350 383 H LYS 47 H LYS 47 8.624 4.982 -9.956 384 HA LYS 47 HA LYS 47 5.694 5.194 -9.995 385 HB2 LYS 47 1HB LYS 47 7.670 6.150 -7.915 386 HB3 LYS 47 2HB LYS 47 5.920 6.267 -7.795 387 HG2 LYS 47 1HG LYS 47 5.782 3.805 -7.862 388 HG3 LYS 47 2HG LYS 47 7.546 3.734 -7.880 389 HD2 LYS 47 1HD LYS 47 6.904 3.411 -5.628 390 HD3 LYS 47 2HD LYS 47 7.487 5.074 -5.731 391 HE2 LYS 47 1HE LYS 47 5.132 5.824 -5.970 392 HE3 LYS 47 2HE LYS 47 4.613 4.158 -5.716 393 HZ1 LYS 47 3HZ LYS 47 5.521 4.185 -3.528 394 HZ2 LYS 47 1HZ LYS 47 4.550 5.561 -3.693 395 HZ3 LYS 47 2HZ LYS 47 6.234 5.700 -3.767 396 H ALA 48 H ALA 48 4.694 7.023 -10.607 397 HA ALA 48 HA ALA 48 6.372 9.386 -11.150 398 HB1 ALA 48 1HB ALA 48 4.451 9.776 -12.933 399 HB2 ALA 48 2HB ALA 48 5.876 8.802 -13.295 400 HB3 ALA 48 3HB ALA 48 4.361 8.017 -12.850 401 H THR 49 H THR 49 5.541 11.388 -10.643 402 HA THR 49 HA THR 49 3.111 11.354 -8.984 403 HB THR 49 HB THR 49 5.385 13.349 -8.989 404 HG1 THR 49 HG1 THR 49 6.083 12.305 -7.206 405 HG21 THR 49 3HG2 THR 49 2.698 13.419 -7.866 406 HG22 THR 49 1HG2 THR 49 3.877 14.716 -8.052 407 HG23 THR 49 2HG2 THR 49 3.954 13.649 -6.650 408 H ALA 50 H ALA 50 1.349 12.316 -9.739 409 HA ALA 50 HA ALA 50 1.536 14.710 -11.362 410 HB1 ALA 50 1HB ALA 50 1.616 13.319 -13.200 411 HB2 ALA 50 2HB ALA 50 0.599 12.090 -12.448 412 HB3 ALA 50 3HB ALA 50 -0.119 13.592 -13.032 413 H ASN 51 H ASN 51 -0.287 15.981 -11.264 414 HA ASN 51 HA ASN 51 -2.190 16.837 -10.357 415 HB2 ASN 51 1HB ASN 51 -3.299 14.040 -10.277 416 HB3 ASN 51 2HB ASN 51 -4.152 15.552 -10.569 417 HD21 ASN 51 2HD2 ASN 51 -2.430 12.953 -11.948 418 HD22 ASN 51 1HD2 ASN 51 -2.518 13.466 -13.595 419 H GLY 52 H GLY 52 -0.059 15.750 -8.587 420 HA2 GLY 52 1HA GLY 52 0.254 15.768 -6.300 421 HA3 GLY 52 2HA GLY 52 -1.465 16.083 -6.112 422 H LYS 53 H LYS 53 -0.528 13.358 -8.001 423 HA LYS 53 HA LYS 53 -0.927 11.548 -5.726 424 HB2 LYS 53 1HB LYS 53 -2.430 11.499 -8.342 425 HB3 LYS 53 2HB LYS 53 -2.344 10.109 -7.267 426 HG2 LYS 53 1HG LYS 53 -3.334 12.779 -6.324 427 HG3 LYS 53 2HG LYS 53 -4.397 11.604 -7.103 428 HD2 LYS 53 1HD LYS 53 -2.681 10.822 -4.772 429 HD3 LYS 53 2HD LYS 53 -4.238 11.618 -4.526 430 HE2 LYS 53 1HE LYS 53 -5.043 9.744 -6.215 431 HE3 LYS 53 2HE LYS 53 -3.626 8.907 -5.583 432 HZ1 LYS 53 3HZ LYS 53 -4.829 9.846 -3.349 433 HZ2 LYS 53 1HZ LYS 53 -4.983 8.272 -3.951 434 HZ3 LYS 53 2HZ LYS 53 -6.152 9.437 -4.321 435 H THR 54 H THR 54 0.300 9.731 -5.765 436 HA THR 54 HA THR 54 2.225 9.506 -7.962 437 HB THR 54 HB THR 54 3.330 7.846 -6.308 438 HG1 THR 54 HG1 THR 54 2.716 8.086 -4.178 439 HG21 THR 54 3HG2 THR 54 4.586 9.734 -6.548 440 HG22 THR 54 1HG2 THR 54 4.063 9.975 -4.882 441 HG23 THR 54 2HG2 THR 54 3.235 10.811 -6.196 442 H TYR 55 H TYR 55 2.327 7.776 -9.280 443 HA TYR 55 HA TYR 55 0.771 5.385 -8.613 444 HB2 TYR 55 1HB TYR 55 -0.240 5.304 -10.821 445 HB3 TYR 55 2HB TYR 55 -0.650 6.827 -10.040 446 HD1 TYR 55 HD2 TYR 55 1.313 5.252 -12.714 447 HD2 TYR 55 HD1 TYR 55 0.168 8.927 -10.901 448 HE1 TYR 55 HE2 TYR 55 2.175 6.476 -14.665 449 HE2 TYR 55 HE1 TYR 55 1.026 10.161 -12.848 450 HH TYR 55 HH TYR 55 1.702 9.937 -15.019 451 H GLU 56 H GLU 56 1.279 3.553 -10.108 452 HA GLU 56 HA GLU 56 4.154 3.554 -10.665 453 HB2 GLU 56 1HB GLU 56 2.199 1.261 -10.415 454 HB3 GLU 56 2HB GLU 56 3.923 1.090 -10.714 455 HG2 GLU 56 1HG GLU 56 4.481 1.890 -8.575 456 HG3 GLU 56 2HG GLU 56 2.851 2.499 -8.293 457 H ARG 57 H ARG 57 5.009 2.950 -12.638 458 HA ARG 57 HA ARG 57 3.137 2.469 -14.842 459 HB2 ARG 57 1HB ARG 57 4.429 4.063 -16.262 460 HB3 ARG 57 2HB ARG 57 3.541 4.835 -14.955 461 HG2 ARG 57 1HG ARG 57 5.672 4.839 -13.636 462 HG3 ARG 57 2HG ARG 57 6.495 4.302 -15.102 463 HD2 ARG 57 1HD ARG 57 4.758 6.744 -15.111 464 HD3 ARG 57 2HD ARG 57 6.431 6.826 -14.560 465 HE ARG 57 HE ARG 57 6.433 5.553 -17.031 466 HH11 ARG 57 1HH1 ARG 57 5.637 8.674 -15.709 467 HH12 ARG 57 2HH1 ARG 57 6.023 9.533 -17.163 468 HH21 ARG 57 1HH2 ARG 57 6.944 6.674 -18.951 469 HH22 ARG 57 2HH2 ARG 57 6.765 8.395 -19.007 470 H GLN 58 H GLN 58 3.975 1.281 -16.563 471 HA GLN 58 HA GLN 58 6.392 -0.219 -15.912 472 HB2 GLN 58 1HB GLN 58 3.983 -0.701 -17.574 473 HB3 GLN 58 2HB GLN 58 5.482 -1.435 -18.131 474 HG2 GLN 58 1HG GLN 58 5.615 -2.854 -16.352 475 HG3 GLN 58 2HG GLN 58 4.731 -1.770 -15.279 476 HE21 GLN 58 2HE2 GLN 58 4.518 -4.320 -17.579 477 HE22 GLN 58 1HE2 GLN 58 2.822 -4.609 -17.428 478 H GLY 59 H GLY 59 8.185 -0.341 -17.224 479 HA2 GLY 59 1HA GLY 59 8.240 0.979 -19.794 480 HA3 GLY 59 2HA GLY 59 9.136 1.824 -18.541 481 H PHE 60 H PHE 60 10.575 1.085 -20.633 482 HA PHE 60 HA PHE 60 11.914 -1.417 -19.852 483 HB2 PHE 60 1HB PHE 60 11.608 -0.020 -22.490 484 HB3 PHE 60 2HB PHE 60 12.954 -1.123 -22.225 485 HD1 PHE 60 HD2 PHE 60 12.205 -3.445 -21.135 486 HD2 PHE 60 HD1 PHE 60 9.716 -0.880 -23.445 487 HE1 PHE 60 HE2 PHE 60 10.749 -5.353 -21.677 488 HE2 PHE 60 HE1 PHE 60 8.255 -2.783 -23.990 489 HZ PHE 60 HZ PHE 60 8.771 -5.023 -23.107 490 H VAL 61 H VAL 61 14.206 -1.480 -19.805 491 HA VAL 61 HA VAL 61 15.615 1.079 -19.876 492 HB VAL 61 HB VAL 61 16.729 0.585 -17.703 493 HG11 VAL 61 1HG1 VAL 61 14.975 1.465 -16.333 494 HG12 VAL 61 2HG1 VAL 61 14.813 2.167 -17.944 495 HG13 VAL 61 3HG1 VAL 61 13.740 0.862 -17.438 496 HG21 VAL 61 3HG2 VAL 61 16.224 -1.832 -17.661 497 HG22 VAL 61 1HG2 VAL 61 15.748 -1.012 -16.174 498 HG23 VAL 61 2HG2 VAL 61 14.527 -1.451 -17.370 499 HA PRO 62 HA PRO 62 18.864 -1.286 -21.648 500 HB2 PRO 62 1HB PRO 62 21.031 0.150 -20.867 501 HB3 PRO 62 2HB PRO 62 19.901 0.712 -22.105 502 HG2 PRO 62 1HG PRO 62 20.053 1.446 -19.207 503 HG3 PRO 62 2HG PRO 62 19.786 2.492 -20.613 504 HD2 PRO 62 1HD PRO 62 17.767 1.656 -19.014 505 HD3 PRO 62 2HD PRO 62 17.551 1.946 -20.753 506 H ALA 63 H ALA 63 19.329 -3.250 -20.870 507 HA ALA 63 HA ALA 63 19.839 -3.847 -18.165 508 HB1 ALA 63 1HB ALA 63 20.360 -5.421 -20.679 509 HB2 ALA 63 2HB ALA 63 20.589 -6.066 -19.053 510 HB3 ALA 63 3HB ALA 63 18.985 -5.560 -19.583 511 H ALA 64 H ALA 64 21.823 -2.470 -20.530 512 HA ALA 64 HA ALA 64 24.331 -3.504 -19.564 513 HB1 ALA 64 1HB ALA 64 25.335 -1.854 -21.094 514 HB2 ALA 64 2HB ALA 64 24.131 -2.868 -21.889 515 HB3 ALA 64 3HB ALA 64 23.726 -1.214 -21.431 516 H TYR 65 H TYR 65 22.210 -0.943 -18.715 517 HA TYR 65 HA TYR 65 24.314 0.364 -17.130 518 HB2 TYR 65 1HB TYR 65 21.583 1.394 -17.927 519 HB3 TYR 65 2HB TYR 65 22.775 2.284 -16.985 520 HD1 TYR 65 HD2 TYR 65 25.137 1.129 -18.733 521 HD2 TYR 65 HD1 TYR 65 21.495 3.138 -19.626 522 HE1 TYR 65 HE2 TYR 65 26.131 1.996 -20.809 523 HE2 TYR 65 HE1 TYR 65 22.478 4.010 -21.705 524 HH TYR 65 HH TYR 65 24.288 4.120 -22.981 525 H VAL 66 H VAL 66 21.383 -1.451 -16.952 526 HA VAL 66 HA VAL 66 21.316 -1.076 -14.028 527 HB VAL 66 HB VAL 66 18.986 -1.617 -14.030 528 HG11 VAL 66 1HG1 VAL 66 18.501 0.484 -14.553 529 HG12 VAL 66 2HG1 VAL 66 20.051 0.615 -15.385 530 HG13 VAL 66 3HG1 VAL 66 18.613 0.111 -16.273 531 HG21 VAL 66 3HG2 VAL 66 19.485 -2.407 -16.872 532 HG22 VAL 66 1HG2 VAL 66 18.671 -3.301 -15.588 533 HG23 VAL 66 2HG2 VAL 66 17.869 -1.929 -16.353 534 H LYS 67 H LYS 67 21.340 -2.843 -12.706 535 HA LYS 67 HA LYS 67 21.488 -5.489 -13.986 536 HB2 LYS 67 1HB LYS 67 23.368 -6.119 -12.717 537 HB3 LYS 67 2HB LYS 67 23.744 -4.502 -13.299 538 HG2 LYS 67 1HG LYS 67 22.901 -3.649 -11.072 539 HG3 LYS 67 2HG LYS 67 22.909 -5.331 -10.537 540 HD2 LYS 67 1HD LYS 67 25.334 -4.035 -11.750 541 HD3 LYS 67 2HD LYS 67 24.979 -3.921 -10.025 542 HE2 LYS 67 1HE LYS 67 24.891 -6.411 -9.951 543 HE3 LYS 67 2HE LYS 67 25.427 -6.433 -11.631 544 HZ1 LYS 67 3HZ LYS 67 27.098 -4.809 -9.971 545 HZ2 LYS 67 1HZ LYS 67 27.519 -6.069 -11.019 546 HZ3 LYS 67 2HZ LYS 67 27.038 -6.412 -9.434 547 H LYS 68 H LYS 68 20.630 -7.202 -12.835 548 HA LYS 68 HA LYS 68 18.644 -6.510 -10.879 549 HB2 LYS 68 1HB LYS 68 19.485 -9.070 -12.210 550 HB3 LYS 68 2HB LYS 68 18.350 -9.084 -10.866 551 HG2 LYS 68 1HG LYS 68 16.781 -7.760 -12.086 552 HG3 LYS 68 2HG LYS 68 17.946 -7.487 -13.384 553 HD2 LYS 68 1HD LYS 68 17.212 -10.287 -12.665 554 HD3 LYS 68 2HD LYS 68 16.075 -9.321 -13.608 555 HE2 LYS 68 1HE LYS 68 17.566 -9.091 -15.389 556 HE3 LYS 68 2HE LYS 68 18.959 -9.524 -14.399 557 HZ1 LYS 68 3HZ LYS 68 17.015 -11.616 -14.509 558 HZ2 LYS 68 1HZ LYS 68 18.672 -11.667 -14.849 559 HZ3 LYS 68 2HZ LYS 68 17.576 -11.198 -16.049 560 H LEU 69 H LEU 69 18.603 -6.980 -8.719 561 HA LEU 69 HA LEU 69 21.182 -7.583 -7.502 562 HB2 LEU 69 1HB LEU 69 18.609 -6.413 -6.536 563 HB3 LEU 69 2HB LEU 69 19.755 -7.081 -5.375 564 HG LEU 69 HG LEU 69 21.451 -5.490 -6.125 565 HD11 LEU 69 1HD1 LEU 69 19.436 -4.961 -8.210 566 HD12 LEU 69 2HD1 LEU 69 21.196 -4.865 -8.276 567 HD13 LEU 69 3HD1 LEU 69 20.268 -3.549 -7.557 568 HD21 LEU 69 3HD2 LEU 69 19.489 -3.479 -5.689 569 HD22 LEU 69 1HD2 LEU 69 20.655 -4.150 -4.549 570 HD23 LEU 69 2HD2 LEU 69 19.064 -4.891 -4.721 571 H ASP 70 H ASP 70 20.136 -9.786 -8.752 572 HA ASP 70 HA ASP 70 18.737 -11.413 -6.804 573 HB2 ASP 70 1HB ASP 70 18.314 -11.552 -9.284 574 HB3 ASP 70 2HB ASP 70 19.909 -12.280 -9.451 Start of MODEL 10 1 H1 MET 1 H MET 1 0.076 0.846 -1.959 2 HA MET 1 HA MET 1 2.077 2.152 -0.330 3 HB2 MET 1 1HB MET 1 1.395 -0.743 -0.832 4 HB3 MET 1 2HB MET 1 2.752 -0.245 0.170 5 HG2 MET 1 1HG MET 1 1.081 1.078 1.534 6 HG3 MET 1 2HG MET 1 -0.173 0.210 0.650 7 HE1 MET 1 3HE MET 1 -0.854 -0.404 3.409 8 HE2 MET 1 1HE MET 1 0.323 -1.223 4.436 9 HE3 MET 1 2HE MET 1 0.648 0.410 3.853 10 H ASP 2 H ASP 2 4.368 1.212 -0.436 11 HA ASP 2 HA ASP 2 5.231 1.291 -3.244 12 HB2 ASP 2 1HB ASP 2 7.096 1.666 -0.926 13 HB3 ASP 2 2HB ASP 2 7.217 2.301 -2.564 14 H GLU 3 H GLU 3 4.271 -1.128 -2.499 15 HA GLU 3 HA GLU 3 6.062 -2.918 -1.319 16 HB2 GLU 3 1HB GLU 3 3.558 -3.179 -2.122 17 HB3 GLU 3 2HB GLU 3 4.320 -3.824 -3.569 18 HG2 GLU 3 1HG GLU 3 5.639 -5.283 -1.827 19 HG3 GLU 3 2HG GLU 3 4.242 -4.926 -0.812 20 H THR 4 H THR 4 8.012 -3.543 -1.935 21 HA THR 4 HA THR 4 8.577 -4.161 -4.701 22 HB THR 4 HB THR 4 10.732 -2.722 -4.556 23 HG1 THR 4 HG1 THR 4 10.821 -1.548 -2.804 24 HG21 THR 4 3HG2 THR 4 8.119 -1.259 -4.910 25 HG22 THR 4 1HG2 THR 4 8.770 -2.388 -6.098 26 HG23 THR 4 2HG2 THR 4 9.660 -0.919 -5.696 27 H GLY 5 H GLY 5 9.600 -6.046 -4.620 28 HA2 GLY 5 1HA GLY 5 12.011 -6.467 -3.235 29 HA3 GLY 5 2HA GLY 5 10.700 -7.163 -2.294 30 H LYS 6 H LYS 6 9.135 -7.866 -4.665 31 HA LYS 6 HA LYS 6 9.960 -10.486 -5.035 32 HB2 LYS 6 1HB LYS 6 8.168 -10.704 -6.441 33 HB3 LYS 6 2HB LYS 6 7.727 -9.193 -5.655 34 HG2 LYS 6 1HG LYS 6 9.186 -9.360 -8.282 35 HG3 LYS 6 2HG LYS 6 7.436 -9.198 -8.124 36 HD2 LYS 6 1HD LYS 6 9.120 -7.257 -6.644 37 HD3 LYS 6 2HD LYS 6 9.055 -7.096 -8.400 38 HE2 LYS 6 1HE LYS 6 6.673 -7.177 -6.550 39 HE3 LYS 6 2HE LYS 6 7.351 -5.726 -7.285 40 HZ1 LYS 6 3HZ LYS 6 5.569 -7.658 -8.402 41 HZ2 LYS 6 1HZ LYS 6 6.924 -7.416 -9.386 42 HZ3 LYS 6 2HZ LYS 6 5.951 -6.103 -8.950 43 H GLU 7 H GLU 7 11.023 -7.592 -6.609 44 HA GLU 7 HA GLU 7 13.306 -8.746 -7.712 45 HB2 GLU 7 1HB GLU 7 11.113 -9.476 -9.205 46 HB3 GLU 7 2HB GLU 7 11.704 -8.063 -10.068 47 HG2 GLU 7 1HG GLU 7 13.538 -9.117 -10.811 48 HG3 GLU 7 2HG GLU 7 13.771 -9.998 -9.303 49 H LEU 8 H LEU 8 14.689 -7.117 -7.869 50 HA LEU 8 HA LEU 8 13.793 -4.543 -8.920 51 HB2 LEU 8 1HB LEU 8 14.887 -5.040 -6.187 52 HB3 LEU 8 2HB LEU 8 15.238 -3.517 -7.002 53 HG LEU 8 HG LEU 8 12.394 -4.340 -6.849 54 HD11 LEU 8 1HD1 LEU 8 13.819 -4.601 -4.557 55 HD12 LEU 8 2HD1 LEU 8 12.114 -4.161 -4.631 56 HD13 LEU 8 3HD1 LEU 8 13.342 -2.905 -4.473 57 HD21 LEU 8 3HD2 LEU 8 13.228 -1.659 -6.042 58 HD22 LEU 8 1HD2 LEU 8 12.039 -2.167 -7.243 59 HD23 LEU 8 2HD2 LEU 8 13.750 -2.107 -7.667 60 H VAL 9 H VAL 9 15.483 -3.216 -9.719 61 HA VAL 9 HA VAL 9 18.097 -4.551 -9.969 62 HB VAL 9 HB VAL 9 18.279 -3.787 -12.279 63 HG11 VAL 9 1HG1 VAL 9 16.199 -5.146 -13.161 64 HG12 VAL 9 2HG1 VAL 9 17.525 -5.948 -12.316 65 HG13 VAL 9 3HG1 VAL 9 16.036 -5.559 -11.454 66 HG21 VAL 9 3HG2 VAL 9 15.736 -2.431 -11.611 67 HG22 VAL 9 1HG2 VAL 9 17.057 -1.916 -12.660 68 HG23 VAL 9 2HG2 VAL 9 15.880 -3.096 -13.238 69 H LEU 10 H LEU 10 19.897 -3.230 -9.991 70 HA LEU 10 HA LEU 10 19.439 -0.509 -9.027 71 HB2 LEU 10 1HB LEU 10 20.894 -1.896 -7.688 72 HB3 LEU 10 2HB LEU 10 21.913 -2.229 -9.087 73 HG LEU 10 HG LEU 10 22.320 0.328 -9.100 74 HD11 LEU 10 1HD1 LEU 10 20.699 -0.001 -6.728 75 HD12 LEU 10 2HD1 LEU 10 21.201 1.471 -7.558 76 HD13 LEU 10 3HD1 LEU 10 22.261 0.730 -6.359 77 HD21 LEU 10 3HD2 LEU 10 24.268 0.027 -7.848 78 HD22 LEU 10 1HD2 LEU 10 23.884 -1.592 -8.434 79 HD23 LEU 10 2HD2 LEU 10 23.506 -1.144 -6.770 80 H ALA 11 H ALA 11 20.240 1.306 -10.021 81 HA ALA 11 HA ALA 11 20.945 0.987 -12.835 82 HB1 ALA 11 1HB ALA 11 20.733 3.597 -12.674 83 HB2 ALA 11 2HB ALA 11 19.295 2.575 -12.714 84 HB3 ALA 11 3HB ALA 11 19.876 3.221 -11.179 85 H LEU 12 H LEU 12 22.998 0.991 -13.446 86 HA LEU 12 HA LEU 12 25.066 1.934 -11.649 87 HB2 LEU 12 1HB LEU 12 25.418 0.829 -14.424 88 HB3 LEU 12 2HB LEU 12 26.617 0.916 -13.136 89 HG LEU 12 HG LEU 12 24.148 -0.795 -12.941 90 HD11 LEU 12 1HD1 LEU 12 25.085 -2.464 -14.107 91 HD12 LEU 12 2HD1 LEU 12 26.706 -2.110 -13.510 92 HD13 LEU 12 3HD1 LEU 12 26.039 -1.180 -14.852 93 HD21 LEU 12 3HD2 LEU 12 25.027 -0.554 -10.812 94 HD22 LEU 12 1HD2 LEU 12 26.691 -0.494 -11.394 95 HD23 LEU 12 2HD2 LEU 12 25.815 -2.025 -11.385 96 H TYR 13 H TYR 13 23.838 2.713 -14.881 97 HA TYR 13 HA TYR 13 25.264 5.286 -14.705 98 HB2 TYR 13 1HB TYR 13 24.660 3.668 -17.189 99 HB3 TYR 13 2HB TYR 13 25.397 5.267 -17.174 100 HD1 TYR 13 HD2 TYR 13 27.678 5.564 -16.235 101 HD2 TYR 13 HD1 TYR 13 25.941 1.711 -16.728 102 HE1 TYR 13 HE2 TYR 13 29.904 4.540 -16.027 103 HE2 TYR 13 HE1 TYR 13 28.162 0.676 -16.520 104 HH TYR 13 HH TYR 13 30.665 1.942 -15.218 105 H ASP 14 H ASP 14 24.205 7.120 -15.563 106 HA ASP 14 HA ASP 14 21.410 7.184 -15.094 107 HB2 ASP 14 1HB ASP 14 21.543 9.522 -15.847 108 HB3 ASP 14 2HB ASP 14 22.828 9.139 -14.705 109 H TYR 15 H TYR 15 19.749 7.822 -16.616 110 HA TYR 15 HA TYR 15 20.320 7.125 -19.410 111 HB2 TYR 15 1HB TYR 15 19.219 5.252 -17.930 112 HB3 TYR 15 2HB TYR 15 17.757 6.202 -18.169 113 HD1 TYR 15 HD2 TYR 15 20.604 5.132 -20.353 114 HD2 TYR 15 HD1 TYR 15 16.390 5.323 -19.796 115 HE1 TYR 15 HE2 TYR 15 20.271 4.060 -22.542 116 HE2 TYR 15 HE1 TYR 15 16.046 4.250 -21.982 117 HH TYR 15 HH TYR 15 18.638 3.773 -24.223 118 H GLN 16 H GLN 16 18.266 7.623 -20.779 119 HA GLN 16 HA GLN 16 16.702 9.853 -19.797 120 HB2 GLN 16 1HB GLN 16 19.094 10.444 -21.020 121 HB3 GLN 16 2HB GLN 16 17.953 10.538 -22.356 122 HG2 GLN 16 1HG GLN 16 17.359 12.557 -21.695 123 HG3 GLN 16 2HG GLN 16 16.787 11.885 -20.169 124 HE21 GLN 16 2HE2 GLN 16 17.954 12.193 -18.342 125 HE22 GLN 16 1HE2 GLN 16 19.395 13.143 -18.265 126 H GLU 17 H GLU 17 14.859 8.688 -20.211 127 HA GLU 17 HA GLU 17 14.283 7.125 -22.415 128 HB2 GLU 17 1HB GLU 17 11.908 7.513 -21.889 129 HB3 GLU 17 2HB GLU 17 12.855 7.165 -20.450 130 HG2 GLU 17 1HG GLU 17 12.904 9.521 -19.880 131 HG3 GLU 17 2HG GLU 17 12.018 9.912 -21.353 132 H LYS 18 H LYS 18 13.130 7.488 -24.347 133 HA LYS 18 HA LYS 18 12.927 10.282 -25.227 134 HB2 LYS 18 1HB LYS 18 14.176 9.977 -27.140 135 HB3 LYS 18 2HB LYS 18 15.049 8.949 -26.011 136 HG2 LYS 18 1HG LYS 18 13.035 8.054 -28.063 137 HG3 LYS 18 2HG LYS 18 14.784 7.821 -28.124 138 HD2 LYS 18 1HD LYS 18 12.912 6.665 -26.058 139 HD3 LYS 18 2HD LYS 18 13.647 5.784 -27.399 140 HE2 LYS 18 1HE LYS 18 15.147 7.143 -25.161 141 HE3 LYS 18 2HE LYS 18 14.832 5.412 -25.276 142 HZ1 LYS 18 3HZ LYS 18 16.819 5.382 -26.280 143 HZ2 LYS 18 1HZ LYS 18 16.785 7.029 -26.665 144 HZ3 LYS 18 2HZ LYS 18 15.974 5.915 -27.646 145 H SER 19 H SER 19 11.270 7.631 -24.590 146 HA SER 19 HA SER 19 9.283 8.188 -26.670 147 HB2 SER 19 1HB SER 19 9.423 6.157 -27.608 148 HB3 SER 19 2HB SER 19 10.847 5.843 -26.617 149 HG SER 19 HG SER 19 9.441 5.039 -24.999 150 HA PRO 20 HA PRO 20 6.325 8.071 -23.434 151 HB2 PRO 20 1HB PRO 20 4.178 6.938 -24.648 152 HB3 PRO 20 2HB PRO 20 4.728 8.579 -25.005 153 HG2 PRO 20 1HG PRO 20 5.223 6.044 -26.519 154 HG3 PRO 20 2HG PRO 20 4.805 7.653 -27.137 155 HD2 PRO 20 1HD PRO 20 7.338 6.695 -27.160 156 HD3 PRO 20 2HD PRO 20 6.971 8.421 -26.960 157 H ARG 21 H ARG 21 7.044 5.065 -25.079 158 HA ARG 21 HA ARG 21 5.929 3.517 -22.855 159 HB2 ARG 21 1HB ARG 21 5.569 3.020 -25.405 160 HB3 ARG 21 2HB ARG 21 7.158 2.276 -25.287 161 HG2 ARG 21 1HG ARG 21 6.164 0.980 -23.297 162 HG3 ARG 21 2HG ARG 21 4.603 1.482 -23.950 163 HD2 ARG 21 1HD ARG 21 6.158 0.519 -26.108 164 HD3 ARG 21 2HD ARG 21 6.300 -0.649 -24.795 165 HE ARG 21 HE ARG 21 4.097 -1.207 -25.094 166 HH11 ARG 21 1HH1 ARG 21 4.773 1.763 -26.780 167 HH12 ARG 21 2HH1 ARG 21 3.241 1.804 -27.589 168 HH21 ARG 21 1HH2 ARG 21 2.078 -1.164 -26.153 169 HH22 ARG 21 2HH2 ARG 21 1.709 0.139 -27.232 170 H GLU 22 H GLU 22 8.421 5.120 -22.712 171 HA GLU 22 HA GLU 22 10.204 2.941 -21.866 172 HB2 GLU 22 1HB GLU 22 10.906 4.066 -24.051 173 HB3 GLU 22 2HB GLU 22 11.231 5.499 -23.085 174 HG2 GLU 22 1HG GLU 22 13.151 4.681 -22.312 175 HG3 GLU 22 2HG GLU 22 12.456 3.091 -22.004 176 H VAL 23 H VAL 23 11.812 3.625 -20.246 177 HA VAL 23 HA VAL 23 10.884 5.913 -18.638 178 HB VAL 23 HB VAL 23 11.606 4.524 -16.616 179 HG11 VAL 23 1HG1 VAL 23 9.409 3.286 -16.591 180 HG12 VAL 23 2HG1 VAL 23 9.306 5.016 -16.922 181 HG13 VAL 23 3HG1 VAL 23 9.162 3.855 -18.242 182 HG21 VAL 23 3HG2 VAL 23 11.330 2.316 -18.654 183 HG22 VAL 23 1HG2 VAL 23 12.794 2.769 -17.782 184 HG23 VAL 23 2HG2 VAL 23 11.426 2.078 -16.909 185 H THR 24 H THR 24 12.648 6.176 -16.747 186 HA THR 24 HA THR 24 15.339 5.945 -17.879 187 HB THR 24 HB THR 24 14.301 8.226 -18.409 188 HG1 THR 24 HG1 THR 24 16.353 9.262 -17.584 189 HG21 THR 24 3HG2 THR 24 15.057 9.047 -15.655 190 HG22 THR 24 1HG2 THR 24 13.485 8.280 -15.878 191 HG23 THR 24 2HG2 THR 24 13.880 9.753 -16.763 192 H MET 25 H MET 25 17.018 6.656 -16.224 193 HA MET 25 HA MET 25 16.191 6.437 -13.455 194 HB2 MET 25 1HB MET 25 17.633 4.524 -12.965 195 HB3 MET 25 2HB MET 25 16.389 4.089 -14.129 196 HG2 MET 25 1HG MET 25 18.713 4.989 -15.522 197 HG3 MET 25 2HG MET 25 19.170 3.758 -14.347 198 HE1 MET 25 3HE MET 25 19.358 1.720 -17.344 199 HE2 MET 25 1HE MET 25 18.803 3.192 -18.143 200 HE3 MET 25 2HE MET 25 19.953 3.293 -16.810 201 H LYS 26 H LYS 26 18.088 6.662 -11.965 202 HA LYS 26 HA LYS 26 20.150 8.362 -13.209 203 HB2 LYS 26 1HB LYS 26 18.387 9.333 -11.529 204 HB3 LYS 26 2HB LYS 26 19.413 8.582 -10.314 205 HG2 LYS 26 1HG LYS 26 21.117 10.049 -10.641 206 HG3 LYS 26 2HG LYS 26 20.724 10.298 -12.344 207 HD2 LYS 26 1HD LYS 26 18.991 11.798 -11.838 208 HD3 LYS 26 2HD LYS 26 18.927 11.288 -10.150 209 HE2 LYS 26 1HE LYS 26 21.434 12.499 -11.225 210 HE3 LYS 26 2HE LYS 26 20.074 13.545 -10.821 211 HZ1 LYS 26 3HZ LYS 26 21.965 12.605 -9.086 212 HZ2 LYS 26 1HZ LYS 26 20.610 11.645 -8.760 213 HZ3 LYS 26 2HZ LYS 26 20.495 13.330 -8.665 214 H LYS 27 H LYS 27 22.274 8.278 -12.331 215 HA LYS 27 HA LYS 27 23.294 5.747 -11.878 216 HB2 LYS 27 1HB LYS 27 25.320 6.989 -10.960 217 HB3 LYS 27 2HB LYS 27 24.806 7.416 -12.587 218 HG2 LYS 27 1HG LYS 27 23.575 9.050 -10.506 219 HG3 LYS 27 2HG LYS 27 25.334 9.179 -10.571 220 HD2 LYS 27 1HD LYS 27 24.784 9.345 -13.189 221 HD3 LYS 27 2HD LYS 27 23.287 10.017 -12.539 222 HE2 LYS 27 1HE LYS 27 24.392 11.789 -11.505 223 HE3 LYS 27 2HE LYS 27 25.953 10.973 -11.562 224 HZ1 LYS 27 3HZ LYS 27 24.944 12.811 -13.373 225 HZ2 LYS 27 1HZ LYS 27 24.958 11.324 -14.180 226 HZ3 LYS 27 2HZ LYS 27 26.382 11.928 -13.496 227 H GLY 28 H GLY 28 22.531 4.483 -10.275 228 HA2 GLY 28 1HA GLY 28 22.943 3.783 -8.008 229 HA3 GLY 28 2HA GLY 28 22.906 5.472 -7.526 230 H ASP 29 H ASP 29 20.502 4.505 -9.761 231 HA ASP 29 HA ASP 29 18.464 4.839 -7.703 232 HB2 ASP 29 1HB ASP 29 18.515 4.991 -10.682 233 HB3 ASP 29 2HB ASP 29 16.989 4.590 -9.899 234 H ILE 30 H ILE 30 16.431 3.410 -8.088 235 HA ILE 30 HA ILE 30 17.167 0.652 -8.737 236 HB ILE 30 HB ILE 30 15.782 1.382 -6.155 237 HG12 ILE 30 1HG1 ILE 30 18.600 0.367 -6.583 238 HG13 ILE 30 2HG1 ILE 30 18.179 2.025 -6.167 239 HG21 ILE 30 1HG2 ILE 30 16.867 -1.241 -6.179 240 HG22 ILE 30 2HG2 ILE 30 15.178 -0.749 -6.066 241 HG23 ILE 30 3HG2 ILE 30 15.912 -1.026 -7.645 242 HD11 ILE 30 3HD1 ILE 30 18.950 0.661 -4.252 243 HD12 ILE 30 1HD1 ILE 30 17.337 1.339 -4.039 244 HD13 ILE 30 2HD1 ILE 30 17.530 -0.363 -4.460 245 H LEU 31 H LEU 31 15.584 -0.459 -9.732 246 HA LEU 31 HA LEU 31 12.847 0.605 -9.630 247 HB2 LEU 31 1HB LEU 31 13.947 -0.489 -12.182 248 HB3 LEU 31 2HB LEU 31 12.576 0.589 -11.928 249 HG LEU 31 HG LEU 31 15.486 1.352 -11.691 250 HD11 LEU 31 1HD1 LEU 31 14.614 0.879 -14.002 251 HD12 LEU 31 2HD1 LEU 31 15.226 2.511 -13.740 252 HD13 LEU 31 3HD1 LEU 31 13.488 2.216 -13.767 253 HD21 LEU 31 3HD2 LEU 31 13.828 3.603 -11.929 254 HD22 LEU 31 1HD2 LEU 31 14.772 3.100 -10.527 255 HD23 LEU 31 2HD2 LEU 31 13.094 2.581 -10.693 256 H THR 32 H THR 32 11.212 -0.904 -9.742 257 HA THR 32 HA THR 32 11.901 -3.571 -8.974 258 HB THR 32 HB THR 32 9.124 -2.848 -9.817 259 HG1 THR 32 HG1 THR 32 8.823 -1.593 -8.054 260 HG21 THR 32 3HG2 THR 32 9.584 -5.096 -8.980 261 HG22 THR 32 1HG2 THR 32 8.547 -4.214 -7.859 262 HG23 THR 32 2HG2 THR 32 10.261 -4.418 -7.500 263 H LEU 33 H LEU 33 12.458 -5.140 -10.323 264 HA LEU 33 HA LEU 33 12.103 -4.952 -13.140 265 HB2 LEU 33 1HB LEU 33 13.953 -6.149 -11.856 266 HB3 LEU 33 2HB LEU 33 12.791 -7.455 -11.627 267 HG LEU 33 HG LEU 33 14.425 -7.795 -13.493 268 HD11 LEU 33 1HD1 LEU 33 11.822 -7.720 -14.852 269 HD12 LEU 33 2HD1 LEU 33 11.833 -8.538 -13.290 270 HD13 LEU 33 3HD1 LEU 33 12.922 -9.069 -14.572 271 HD21 LEU 33 3HD2 LEU 33 14.619 -6.389 -15.233 272 HD22 LEU 33 1HD2 LEU 33 13.912 -5.207 -14.131 273 HD23 LEU 33 2HD2 LEU 33 12.887 -6.055 -15.289 274 H LEU 34 H LEU 34 10.586 -5.807 -14.447 275 HA LEU 34 HA LEU 34 8.441 -7.375 -13.172 276 HB2 LEU 34 1HB LEU 34 8.313 -5.451 -15.488 277 HB3 LEU 34 2HB LEU 34 6.973 -6.471 -14.968 278 HG LEU 34 HG LEU 34 8.237 -4.201 -13.438 279 HD11 LEU 34 1HD1 LEU 34 6.755 -3.055 -14.663 280 HD12 LEU 34 2HD1 LEU 34 5.554 -3.755 -13.579 281 HD13 LEU 34 3HD1 LEU 34 5.877 -4.507 -15.141 282 HD21 LEU 34 3HD2 LEU 34 6.452 -4.681 -11.758 283 HD22 LEU 34 1HD2 LEU 34 7.717 -5.907 -11.847 284 HD23 LEU 34 2HD2 LEU 34 6.148 -6.204 -12.596 285 H ASN 35 H ASN 35 10.081 -6.840 -16.289 286 HA ASN 35 HA ASN 35 9.807 -9.716 -16.824 287 HB2 ASN 35 1HB ASN 35 8.623 -7.544 -18.314 288 HB3 ASN 35 2HB ASN 35 9.755 -8.436 -19.327 289 HD21 ASN 35 2HD2 ASN 35 9.516 -10.847 -19.221 290 HD22 ASN 35 1HD2 ASN 35 7.905 -11.473 -19.197 291 H SER 36 H SER 36 11.671 -10.663 -17.327 292 HA SER 36 HA SER 36 13.853 -9.000 -18.396 293 HB2 SER 36 1HB SER 36 15.404 -10.512 -17.039 294 HB3 SER 36 2HB SER 36 14.465 -9.331 -16.128 295 HG SER 36 HG SER 36 14.035 -12.113 -16.372 296 H THR 37 H THR 37 12.030 -10.606 -19.879 297 HA THR 37 HA THR 37 13.000 -13.167 -20.486 298 HB THR 37 HB THR 37 10.780 -12.424 -21.197 299 HG1 THR 37 HG1 THR 37 12.130 -12.886 -23.619 300 HG21 THR 37 3HG2 THR 37 10.479 -10.882 -23.040 301 HG22 THR 37 1HG2 THR 37 12.224 -10.688 -23.203 302 HG23 THR 37 2HG2 THR 37 11.401 -10.094 -21.760 303 H ASN 38 H ASN 38 13.940 -9.988 -21.621 304 HA ASN 38 HA ASN 38 15.715 -11.102 -23.638 305 HB2 ASN 38 1HB ASN 38 14.288 -8.819 -23.633 306 HB3 ASN 38 2HB ASN 38 15.810 -8.208 -22.991 307 HD21 ASN 38 2HD2 ASN 38 14.788 -10.490 -25.516 308 HD22 ASN 38 1HD2 ASN 38 15.815 -9.846 -26.747 309 H LYS 39 H LYS 39 17.958 -9.897 -23.700 310 HA LYS 39 HA LYS 39 19.122 -10.033 -20.996 311 HB2 LYS 39 1HB LYS 39 20.575 -10.813 -23.520 312 HB3 LYS 39 2HB LYS 39 21.062 -11.110 -21.857 313 HG2 LYS 39 1HG LYS 39 19.080 -12.606 -21.621 314 HG3 LYS 39 2HG LYS 39 18.797 -12.407 -23.352 315 HD2 LYS 39 1HD LYS 39 21.359 -13.452 -22.151 316 HD3 LYS 39 2HD LYS 39 20.057 -14.474 -22.765 317 HE2 LYS 39 1HE LYS 39 20.306 -13.285 -24.966 318 HE3 LYS 39 2HE LYS 39 21.756 -12.525 -24.311 319 HZ1 LYS 39 3HZ LYS 39 22.741 -14.315 -25.218 320 HZ2 LYS 39 1HZ LYS 39 21.335 -15.256 -25.199 321 HZ3 LYS 39 2HZ LYS 39 22.257 -15.085 -23.791 322 H ASP 40 H ASP 40 18.477 -8.076 -23.582 323 HA ASP 40 HA ASP 40 20.830 -6.375 -23.103 324 HB2 ASP 40 1HB ASP 40 18.880 -6.322 -25.417 325 HB3 ASP 40 2HB ASP 40 20.302 -5.296 -25.243 326 H TRP 41 H TRP 41 17.336 -6.493 -23.058 327 HA TRP 41 HA TRP 41 17.310 -4.012 -21.518 328 HB2 TRP 41 1HB TRP 41 15.473 -4.464 -23.879 329 HB3 TRP 41 2HB TRP 41 15.478 -3.063 -22.812 330 HD1 TRP 41 HD1 TRP 41 17.664 -4.737 -25.515 331 HE1 TRP 41 HE1 TRP 41 19.172 -2.932 -26.559 332 HE3 TRP 41 HE3 TRP 41 16.466 -0.815 -22.463 333 HZ2 TRP 41 HZ2 TRP 41 19.775 -0.205 -26.144 334 HZ3 TRP 41 HZ3 TRP 41 17.554 1.358 -22.853 335 HH2 TRP 41 HH2 TRP 41 19.174 1.654 -24.655 336 H TRP 42 H TRP 42 15.868 -4.029 -19.879 337 HA TRP 42 HA TRP 42 13.957 -6.271 -19.789 338 HB2 TRP 42 1HB TRP 42 15.363 -5.017 -17.422 339 HB3 TRP 42 2HB TRP 42 14.293 -6.416 -17.394 340 HD1 TRP 42 HD1 TRP 42 15.646 -7.890 -19.959 341 HE1 TRP 42 HE1 TRP 42 17.924 -9.042 -19.629 342 HE3 TRP 42 HE3 TRP 42 17.202 -5.423 -15.761 343 HZ2 TRP 42 HZ2 TRP 42 20.093 -8.921 -17.827 344 HZ3 TRP 42 HZ3 TRP 42 19.391 -6.000 -14.796 345 HH2 TRP 42 HH2 TRP 42 20.805 -7.714 -15.809 346 H LYS 43 H LYS 43 12.135 -5.858 -18.207 347 HA LYS 43 HA LYS 43 11.176 -3.107 -18.592 348 HB2 LYS 43 1HB LYS 43 9.704 -4.666 -19.625 349 HB3 LYS 43 2HB LYS 43 9.725 -5.724 -18.221 350 HG2 LYS 43 1HG LYS 43 8.009 -4.664 -17.303 351 HG3 LYS 43 2HG LYS 43 8.786 -3.093 -17.513 352 HD2 LYS 43 1HD LYS 43 7.284 -4.578 -19.668 353 HD3 LYS 43 2HD LYS 43 6.615 -3.269 -18.690 354 HE2 LYS 43 1HE LYS 43 8.443 -1.800 -19.531 355 HE3 LYS 43 2HE LYS 43 8.937 -3.106 -20.606 356 HZ1 LYS 43 3HZ LYS 43 7.393 -1.304 -21.518 357 HZ2 LYS 43 1HZ LYS 43 6.170 -2.081 -20.644 358 HZ3 LYS 43 2HZ LYS 43 7.008 -2.917 -21.852 359 H VAL 44 H VAL 44 10.741 -1.827 -16.898 360 HA VAL 44 HA VAL 44 10.602 -3.033 -14.220 361 HB VAL 44 HB VAL 44 11.919 -1.158 -13.306 362 HG11 VAL 44 1HG1 VAL 44 13.072 -3.217 -13.705 363 HG12 VAL 44 2HG1 VAL 44 13.267 -2.835 -15.417 364 HG13 VAL 44 3HG1 VAL 44 14.129 -1.895 -14.199 365 HG21 VAL 44 3HG2 VAL 44 12.070 0.673 -14.580 366 HG22 VAL 44 1HG2 VAL 44 13.355 -0.175 -15.440 367 HG23 VAL 44 2HG2 VAL 44 11.703 -0.222 -16.055 368 H GLU 45 H GLU 45 9.574 -1.657 -12.609 369 HA GLU 45 HA GLU 45 7.575 0.120 -13.838 370 HB2 GLU 45 1HB GLU 45 6.906 -2.048 -12.570 371 HB3 GLU 45 2HB GLU 45 7.272 -1.122 -11.121 372 HG2 GLU 45 1HG GLU 45 5.675 0.638 -12.104 373 HG3 GLU 45 2HG GLU 45 5.124 -0.669 -13.151 374 H VAL 46 H VAL 46 8.035 2.195 -13.560 375 HA VAL 46 HA VAL 46 9.525 3.045 -11.187 376 HB VAL 46 HB VAL 46 9.810 5.191 -12.355 377 HG11 VAL 46 1HG1 VAL 46 10.542 2.954 -14.226 378 HG12 VAL 46 2HG1 VAL 46 11.419 4.453 -13.916 379 HG13 VAL 46 3HG1 VAL 46 11.347 3.200 -12.677 380 HG21 VAL 46 3HG2 VAL 46 9.079 5.479 -14.647 381 HG22 VAL 46 1HG2 VAL 46 8.356 3.870 -14.644 382 HG23 VAL 46 2HG2 VAL 46 7.690 5.139 -13.615 383 H LYS 47 H LYS 47 8.808 4.719 -9.842 384 HA LYS 47 HA LYS 47 5.902 4.969 -9.721 385 HB2 LYS 47 1HB LYS 47 7.995 5.849 -7.725 386 HB3 LYS 47 2HB LYS 47 6.256 5.826 -7.463 387 HG2 LYS 47 1HG LYS 47 6.177 3.539 -7.265 388 HG3 LYS 47 2HG LYS 47 7.651 3.299 -8.207 389 HD2 LYS 47 1HD LYS 47 8.048 2.804 -5.859 390 HD3 LYS 47 2HD LYS 47 8.971 4.224 -6.354 391 HE2 LYS 47 1HE LYS 47 7.293 5.678 -5.355 392 HE3 LYS 47 2HE LYS 47 6.327 4.275 -4.902 393 HZ1 LYS 47 3HZ LYS 47 8.878 3.866 -3.887 394 HZ2 LYS 47 1HZ LYS 47 7.463 4.194 -3.021 395 HZ3 LYS 47 2HZ LYS 47 8.469 5.463 -3.509 396 H ALA 48 H ALA 48 4.818 6.932 -9.689 397 HA ALA 48 HA ALA 48 6.385 9.350 -10.241 398 HB1 ALA 48 1HB ALA 48 5.814 9.238 -12.395 399 HB2 ALA 48 2HB ALA 48 4.610 7.984 -12.100 400 HB3 ALA 48 3HB ALA 48 4.191 9.680 -11.864 401 H THR 49 H THR 49 5.094 11.346 -10.009 402 HA THR 49 HA THR 49 2.711 11.050 -8.330 403 HB THR 49 HB THR 49 5.063 12.796 -7.576 404 HG1 THR 49 HG1 THR 49 5.607 11.236 -6.225 405 HG21 THR 49 3HG2 THR 49 2.349 12.381 -6.334 406 HG22 THR 49 1HG2 THR 49 3.066 13.892 -6.893 407 HG23 THR 49 2HG2 THR 49 3.709 13.088 -5.461 408 H ALA 50 H ALA 50 1.148 12.236 -9.189 409 HA ALA 50 HA ALA 50 1.714 14.938 -10.118 410 HB1 ALA 50 1HB ALA 50 2.005 13.592 -12.125 411 HB2 ALA 50 2HB ALA 50 0.406 12.883 -11.897 412 HB3 ALA 50 3HB ALA 50 0.565 14.603 -12.254 413 H ASN 51 H ASN 51 -0.053 16.317 -10.039 414 HA ASN 51 HA ASN 51 -2.008 17.133 -9.209 415 HB2 ASN 51 1HB ASN 51 -3.207 14.445 -9.874 416 HB3 ASN 51 2HB ASN 51 -4.011 16.011 -9.842 417 HD21 ASN 51 2HD2 ASN 51 -1.960 13.877 -11.628 418 HD22 ASN 51 1HD2 ASN 51 -1.983 14.759 -13.113 419 H GLY 52 H GLY 52 -0.194 15.608 -7.432 420 HA2 GLY 52 1HA GLY 52 -0.191 15.173 -5.165 421 HA3 GLY 52 2HA GLY 52 -1.907 15.552 -5.137 422 H LYS 53 H LYS 53 -0.870 13.188 -7.405 423 HA LYS 53 HA LYS 53 -1.747 11.031 -5.603 424 HB2 LYS 53 1HB LYS 53 -2.412 11.218 -8.545 425 HB3 LYS 53 2HB LYS 53 -2.953 9.980 -7.419 426 HG2 LYS 53 1HG LYS 53 -3.656 12.895 -7.174 427 HG3 LYS 53 2HG LYS 53 -4.666 11.695 -7.983 428 HD2 LYS 53 1HD LYS 53 -3.742 11.208 -5.183 429 HD3 LYS 53 2HD LYS 53 -5.097 12.300 -5.479 430 HE2 LYS 53 1HE LYS 53 -6.202 10.306 -5.215 431 HE3 LYS 53 2HE LYS 53 -5.966 10.322 -6.962 432 HZ1 LYS 53 3HZ LYS 53 -5.352 8.233 -5.541 433 HZ2 LYS 53 1HZ LYS 53 -3.908 9.077 -5.287 434 HZ3 LYS 53 2HZ LYS 53 -4.396 8.690 -6.859 435 H THR 54 H THR 54 -0.623 9.137 -5.705 436 HA THR 54 HA THR 54 1.818 9.182 -7.327 437 HB THR 54 HB THR 54 2.310 7.104 -5.782 438 HG1 THR 54 HG1 THR 54 1.159 7.053 -3.938 439 HG21 THR 54 3HG2 THR 54 2.789 9.927 -5.581 440 HG22 THR 54 1HG2 THR 54 3.834 8.586 -5.114 441 HG23 THR 54 2HG2 THR 54 2.655 9.227 -3.969 442 H TYR 55 H TYR 55 2.077 7.872 -9.015 443 HA TYR 55 HA TYR 55 0.570 5.374 -9.166 444 HB2 TYR 55 1HB TYR 55 -0.293 5.812 -11.362 445 HB3 TYR 55 2HB TYR 55 -0.761 7.157 -10.327 446 HD1 TYR 55 HD1 TYR 55 1.449 6.107 -13.075 447 HD2 TYR 55 HD2 TYR 55 0.084 9.372 -10.713 448 HE1 TYR 55 HE1 TYR 55 2.464 7.679 -14.672 449 HE2 TYR 55 HE2 TYR 55 1.093 10.953 -12.304 450 HH TYR 55 HH TYR 55 1.719 10.831 -14.874 451 H GLU 56 H GLU 56 1.631 3.753 -10.208 452 HA GLU 56 HA GLU 56 4.372 4.339 -11.046 453 HB2 GLU 56 1HB GLU 56 3.122 1.625 -10.622 454 HB3 GLU 56 2HB GLU 56 4.834 2.011 -10.726 455 HG2 GLU 56 1HG GLU 56 4.577 1.762 -8.471 456 HG3 GLU 56 2HG GLU 56 4.334 3.499 -8.645 457 H ARG 57 H ARG 57 5.241 3.477 -12.990 458 HA ARG 57 HA ARG 57 3.270 2.646 -15.002 459 HB2 ARG 57 1HB ARG 57 4.478 4.101 -16.662 460 HB3 ARG 57 2HB ARG 57 3.556 4.972 -15.444 461 HG2 ARG 57 1HG ARG 57 5.727 5.198 -14.161 462 HG3 ARG 57 2HG ARG 57 6.531 4.627 -15.625 463 HD2 ARG 57 1HD ARG 57 4.676 6.999 -15.540 464 HD3 ARG 57 2HD ARG 57 6.428 7.117 -15.381 465 HE ARG 57 HE ARG 57 5.899 5.691 -17.708 466 HH11 ARG 57 1HH1 ARG 57 5.373 8.889 -16.436 467 HH12 ARG 57 2HH1 ARG 57 5.414 9.655 -17.989 468 HH21 ARG 57 1HH2 ARG 57 5.956 6.689 -19.759 469 HH22 ARG 57 2HH2 ARG 57 5.745 8.403 -19.878 470 H GLN 58 H GLN 58 4.150 1.466 -16.785 471 HA GLN 58 HA GLN 58 6.537 -0.034 -16.033 472 HB2 GLN 58 1HB GLN 58 4.169 -0.539 -17.742 473 HB3 GLN 58 2HB GLN 58 5.675 -1.291 -18.250 474 HG2 GLN 58 1HG GLN 58 5.714 -2.725 -16.506 475 HG3 GLN 58 2HG GLN 58 4.955 -1.578 -15.403 476 HE21 GLN 58 2HE2 GLN 58 4.520 -4.330 -17.254 477 HE22 GLN 58 1HE2 GLN 58 2.797 -4.425 -17.181 478 H GLY 59 H GLY 59 8.343 -0.258 -17.340 479 HA2 GLY 59 1HA GLY 59 8.477 1.048 -19.913 480 HA3 GLY 59 2HA GLY 59 9.381 1.872 -18.651 481 H PHE 60 H PHE 60 10.760 1.012 -20.789 482 HA PHE 60 HA PHE 60 12.036 -1.499 -19.942 483 HB2 PHE 60 1HB PHE 60 11.815 -0.125 -22.606 484 HB3 PHE 60 2HB PHE 60 13.086 -1.306 -22.308 485 HD1 PHE 60 HD2 PHE 60 12.284 -3.601 -21.355 486 HD2 PHE 60 HD1 PHE 60 9.779 -0.837 -23.404 487 HE1 PHE 60 HE2 PHE 60 10.716 -5.421 -21.885 488 HE2 PHE 60 HE1 PHE 60 8.206 -2.653 -23.937 489 HZ PHE 60 HZ PHE 60 8.674 -4.948 -23.178 490 H VAL 61 H VAL 61 14.303 -1.632 -19.811 491 HA VAL 61 HA VAL 61 15.807 0.875 -19.947 492 HB VAL 61 HB VAL 61 16.880 0.401 -17.753 493 HG11 VAL 61 1HG1 VAL 61 15.179 1.401 -16.441 494 HG12 VAL 61 2HG1 VAL 61 14.954 1.997 -18.087 495 HG13 VAL 61 3HG1 VAL 61 13.903 0.729 -17.456 496 HG21 VAL 61 3HG2 VAL 61 15.886 -1.153 -16.208 497 HG22 VAL 61 1HG2 VAL 61 14.616 -1.553 -17.365 498 HG23 VAL 61 2HG2 VAL 61 16.287 -2.012 -17.695 499 HA PRO 62 HA PRO 62 18.984 -1.641 -21.640 500 HB2 PRO 62 1HB PRO 62 21.191 -0.252 -20.885 501 HB3 PRO 62 2HB PRO 62 20.086 0.311 -22.145 502 HG2 PRO 62 1HG PRO 62 20.246 1.119 -19.267 503 HG3 PRO 62 2HG PRO 62 20.019 2.134 -20.703 504 HD2 PRO 62 1HD PRO 62 17.966 1.405 -19.094 505 HD3 PRO 62 2HD PRO 62 17.769 1.654 -20.841 506 H ALA 63 H ALA 63 19.399 -3.595 -20.813 507 HA ALA 63 HA ALA 63 19.875 -4.130 -18.086 508 HB1 ALA 63 1HB ALA 63 20.323 -5.787 -20.559 509 HB2 ALA 63 2HB ALA 63 20.568 -6.397 -18.922 510 HB3 ALA 63 3HB ALA 63 18.968 -5.862 -19.433 511 H ALA 64 H ALA 64 21.903 -2.867 -20.468 512 HA ALA 64 HA ALA 64 24.375 -3.963 -19.466 513 HB1 ALA 64 1HB ALA 64 24.201 -3.406 -21.813 514 HB2 ALA 64 2HB ALA 64 23.853 -1.723 -21.416 515 HB3 ALA 64 3HB ALA 64 25.437 -2.405 -21.051 516 H TYR 65 H TYR 65 22.333 -1.313 -18.709 517 HA TYR 65 HA TYR 65 24.476 -0.013 -17.170 518 HB2 TYR 65 1HB TYR 65 21.775 1.072 -17.995 519 HB3 TYR 65 2HB TYR 65 23.004 1.958 -17.100 520 HD1 TYR 65 HD2 TYR 65 25.300 0.634 -18.834 521 HD2 TYR 65 HD1 TYR 65 21.738 2.773 -19.749 522 HE1 TYR 65 HE2 TYR 65 26.302 1.385 -20.951 523 HE2 TYR 65 HE1 TYR 65 22.729 3.529 -21.869 524 HH TYR 65 HH TYR 65 26.085 2.803 -22.689 525 H VAL 66 H VAL 66 21.489 -1.729 -16.932 526 HA VAL 66 HA VAL 66 21.456 -1.273 -14.019 527 HB VAL 66 HB VAL 66 19.091 -1.731 -14.003 528 HG11 VAL 66 1HG1 VAL 66 19.958 0.279 -16.064 529 HG12 VAL 66 2HG1 VAL 66 18.286 0.133 -15.520 530 HG13 VAL 66 3HG1 VAL 66 19.556 0.554 -14.370 531 HG21 VAL 66 3HG2 VAL 66 19.649 -2.890 -16.582 532 HG22 VAL 66 1HG2 VAL 66 18.239 -3.092 -15.542 533 HG23 VAL 66 2HG2 VAL 66 18.308 -1.750 -16.685 534 H LYS 67 H LYS 67 21.204 -3.033 -12.651 535 HA LYS 67 HA LYS 67 21.117 -5.704 -13.834 536 HB2 LYS 67 1HB LYS 67 23.454 -5.455 -13.699 537 HB3 LYS 67 2HB LYS 67 23.362 -4.607 -12.160 538 HG2 LYS 67 1HG LYS 67 22.699 -6.665 -11.047 539 HG3 LYS 67 2HG LYS 67 22.740 -7.523 -12.589 540 HD2 LYS 67 1HD LYS 67 24.790 -8.025 -11.545 541 HD3 LYS 67 2HD LYS 67 25.174 -6.794 -12.751 542 HE2 LYS 67 1HE LYS 67 26.324 -6.161 -10.790 543 HE3 LYS 67 2HE LYS 67 24.928 -5.091 -10.897 544 HZ1 LYS 67 3HZ LYS 67 25.623 -6.536 -8.722 545 HZ2 LYS 67 1HZ LYS 67 24.418 -7.501 -9.414 546 HZ3 LYS 67 2HZ LYS 67 24.085 -5.893 -9.011 547 H LYS 68 H LYS 68 20.130 -7.215 -12.571 548 HA LYS 68 HA LYS 68 18.375 -6.422 -10.570 549 HB2 LYS 68 1HB LYS 68 18.397 -8.581 -11.967 550 HB3 LYS 68 2HB LYS 68 19.492 -9.213 -10.744 551 HG2 LYS 68 1HG LYS 68 17.548 -9.951 -9.861 552 HG3 LYS 68 2HG LYS 68 17.558 -8.341 -9.136 553 HD2 LYS 68 1HD LYS 68 15.395 -8.606 -10.024 554 HD3 LYS 68 2HD LYS 68 16.247 -7.585 -11.185 555 HE2 LYS 68 1HE LYS 68 14.936 -9.319 -12.305 556 HE3 LYS 68 2HE LYS 68 16.661 -9.521 -12.602 557 HZ1 LYS 68 3HZ LYS 68 16.713 -11.459 -11.494 558 HZ2 LYS 68 1HZ LYS 68 15.054 -11.494 -11.822 559 HZ3 LYS 68 2HZ LYS 68 15.607 -10.960 -10.315 560 H LEU 69 H LEU 69 18.745 -5.745 -8.573 561 HA LEU 69 HA LEU 69 21.219 -6.570 -7.226 562 HB2 LEU 69 1HB LEU 69 21.219 -4.584 -6.095 563 HB3 LEU 69 2HB LEU 69 20.450 -4.102 -7.605 564 HG LEU 69 HG LEU 69 19.099 -4.615 -4.959 565 HD11 LEU 69 1HD1 LEU 69 19.189 -2.097 -6.601 566 HD12 LEU 69 2HD1 LEU 69 20.337 -2.451 -5.310 567 HD13 LEU 69 3HD1 LEU 69 18.619 -2.297 -4.944 568 HD21 LEU 69 3HD2 LEU 69 17.980 -4.177 -7.710 569 HD22 LEU 69 1HD2 LEU 69 17.074 -3.749 -6.259 570 HD23 LEU 69 2HD2 LEU 69 17.564 -5.421 -6.530 571 H ASP 70 H ASP 70 18.417 -7.900 -7.445 572 HA ASP 70 HA ASP 70 17.486 -7.999 -4.734 573 HB2 ASP 70 1HB ASP 70 16.017 -8.352 -6.730 574 HB3 ASP 70 2HB ASP 70 16.837 -9.886 -7.006 Start of MODEL 11 1 H1 MET 1 H MET 1 3.504 2.078 -2.301 2 HA MET 1 HA MET 1 2.621 -0.149 -0.583 3 HB2 MET 1 1HB MET 1 3.026 0.055 -3.526 4 HB3 MET 1 2HB MET 1 3.432 -1.470 -2.751 5 HG2 MET 1 1HG MET 1 1.278 -1.928 -3.193 6 HG3 MET 1 2HG MET 1 1.022 -1.073 -1.673 7 HE1 MET 1 3HE MET 1 1.624 -0.757 -5.284 8 HE2 MET 1 1HE MET 1 -0.068 -0.577 -5.749 9 HE3 MET 1 2HE MET 1 0.999 0.827 -5.748 10 H ASP 2 H ASP 2 4.147 -1.662 0.084 11 HA ASP 2 HA ASP 2 6.921 -0.717 -0.058 12 HB2 ASP 2 1HB ASP 2 7.312 -2.115 1.922 13 HB3 ASP 2 2HB ASP 2 5.989 -0.984 2.194 14 H GLU 3 H GLU 3 5.843 -2.056 -2.302 15 HA GLU 3 HA GLU 3 6.684 -4.809 -2.235 16 HB2 GLU 3 1HB GLU 3 5.914 -3.069 -4.585 17 HB3 GLU 3 2HB GLU 3 6.117 -4.815 -4.623 18 HG2 GLU 3 1HG GLU 3 4.073 -3.352 -2.969 19 HG3 GLU 3 2HG GLU 3 3.762 -4.116 -4.526 20 H THR 4 H THR 4 8.824 -5.092 -1.951 21 HA THR 4 HA THR 4 10.602 -4.570 -4.091 22 HB THR 4 HB THR 4 12.116 -3.216 -2.248 23 HG1 THR 4 HG1 THR 4 10.489 -2.741 -0.835 24 HG21 THR 4 3HG2 THR 4 12.160 -1.578 -3.827 25 HG22 THR 4 1HG2 THR 4 10.407 -1.561 -4.017 26 HG23 THR 4 2HG2 THR 4 11.365 -2.827 -4.786 27 H GLY 5 H GLY 5 11.473 -6.555 -4.024 28 HA2 GLY 5 1HA GLY 5 13.513 -7.376 -2.502 29 HA3 GLY 5 2HA GLY 5 12.145 -7.792 -1.480 30 H LYS 6 H LYS 6 12.359 -7.953 -5.009 31 HA LYS 6 HA LYS 6 12.209 -10.885 -4.829 32 HB2 LYS 6 1HB LYS 6 10.758 -9.671 -7.083 33 HB3 LYS 6 2HB LYS 6 10.315 -11.030 -6.058 34 HG2 LYS 6 1HG LYS 6 8.701 -9.532 -5.473 35 HG3 LYS 6 2HG LYS 6 9.935 -9.142 -4.272 36 HD2 LYS 6 1HD LYS 6 10.764 -7.407 -5.967 37 HD3 LYS 6 2HD LYS 6 9.217 -7.653 -6.781 38 HE2 LYS 6 1HE LYS 6 9.428 -6.964 -3.860 39 HE3 LYS 6 2HE LYS 6 9.339 -5.737 -5.122 40 HZ1 LYS 6 3HZ LYS 6 7.179 -6.212 -5.563 41 HZ2 LYS 6 1HZ LYS 6 7.197 -6.667 -3.933 42 HZ3 LYS 6 2HZ LYS 6 7.315 -7.845 -5.141 43 H GLU 7 H GLU 7 12.633 -8.188 -7.125 44 HA GLU 7 HA GLU 7 15.104 -9.342 -8.075 45 HB2 GLU 7 1HB GLU 7 12.621 -9.272 -9.767 46 HB3 GLU 7 2HB GLU 7 14.216 -9.178 -10.501 47 HG2 GLU 7 1HG GLU 7 13.107 -11.423 -8.838 48 HG3 GLU 7 2HG GLU 7 13.477 -11.445 -10.562 49 H LEU 8 H LEU 8 15.162 -7.101 -6.824 50 HA LEU 8 HA LEU 8 14.609 -4.799 -8.454 51 HB2 LEU 8 1HB LEU 8 15.868 -5.268 -5.788 52 HB3 LEU 8 2HB LEU 8 16.080 -3.712 -6.587 53 HG LEU 8 HG LEU 8 14.251 -3.741 -4.913 54 HD11 LEU 8 1HD1 LEU 8 14.033 -2.930 -7.710 55 HD12 LEU 8 2HD1 LEU 8 13.716 -2.020 -6.233 56 HD13 LEU 8 3HD1 LEU 8 12.480 -3.093 -6.890 57 HD21 LEU 8 3HD2 LEU 8 12.873 -5.576 -6.870 58 HD22 LEU 8 1HD2 LEU 8 12.200 -4.923 -5.376 59 HD23 LEU 8 2HD2 LEU 8 13.536 -6.073 -5.313 60 H VAL 9 H VAL 9 16.034 -3.536 -9.585 61 HA VAL 9 HA VAL 9 18.742 -4.647 -9.944 62 HB VAL 9 HB VAL 9 18.738 -3.849 -12.212 63 HG11 VAL 9 1HG1 VAL 9 17.595 -5.610 -12.983 64 HG12 VAL 9 2HG1 VAL 9 17.180 -5.913 -11.295 65 HG13 VAL 9 3HG1 VAL 9 16.068 -5.018 -12.331 66 HG21 VAL 9 3HG2 VAL 9 16.184 -3.029 -12.828 67 HG22 VAL 9 1HG2 VAL 9 16.487 -2.260 -11.270 68 HG23 VAL 9 2HG2 VAL 9 17.585 -1.978 -12.622 69 H LEU 10 H LEU 10 20.481 -3.212 -10.168 70 HA LEU 10 HA LEU 10 20.016 -0.600 -8.932 71 HB2 LEU 10 1HB LEU 10 21.676 -1.999 -7.871 72 HB3 LEU 10 2HB LEU 10 22.543 -2.176 -9.395 73 HG LEU 10 HG LEU 10 22.911 0.344 -9.294 74 HD11 LEU 10 1HD1 LEU 10 21.267 0.031 -7.003 75 HD12 LEU 10 2HD1 LEU 10 21.987 1.505 -7.650 76 HD13 LEU 10 3HD1 LEU 10 22.868 0.541 -6.465 77 HD21 LEU 10 3HD2 LEU 10 24.932 0.027 -8.261 78 HD22 LEU 10 1HD2 LEU 10 24.482 -1.644 -8.599 79 HD23 LEU 10 2HD2 LEU 10 24.248 -0.978 -6.983 80 H ALA 11 H ALA 11 20.389 1.294 -9.946 81 HA ALA 11 HA ALA 11 20.769 1.241 -12.806 82 HB1 ALA 11 1HB ALA 11 20.730 3.878 -12.177 83 HB2 ALA 11 2HB ALA 11 19.291 2.897 -12.458 84 HB3 ALA 11 3HB ALA 11 19.851 3.190 -10.811 85 H LEU 12 H LEU 12 22.948 0.422 -12.849 86 HA LEU 12 HA LEU 12 25.170 1.508 -11.632 87 HB2 LEU 12 1HB LEU 12 25.088 0.496 -14.468 88 HB3 LEU 12 2HB LEU 12 26.483 0.537 -13.392 89 HG LEU 12 HG LEU 12 24.037 -1.178 -12.966 90 HD11 LEU 12 1HD1 LEU 12 25.003 -2.159 -14.814 91 HD12 LEU 12 2HD1 LEU 12 25.825 -2.990 -13.494 92 HD13 LEU 12 3HD1 LEU 12 26.635 -1.679 -14.351 93 HD21 LEU 12 3HD2 LEU 12 25.556 -2.335 -11.356 94 HD22 LEU 12 1HD2 LEU 12 25.106 -0.696 -10.885 95 HD23 LEU 12 2HD2 LEU 12 26.701 -1.010 -11.569 96 H TYR 13 H TYR 13 23.624 2.513 -14.660 97 HA TYR 13 HA TYR 13 25.110 5.047 -14.471 98 HB2 TYR 13 1HB TYR 13 24.478 3.486 -16.984 99 HB3 TYR 13 2HB TYR 13 25.149 5.113 -16.959 100 HD1 TYR 13 HD1 TYR 13 27.434 5.477 -15.988 101 HD2 TYR 13 HD2 TYR 13 25.861 1.587 -16.698 102 HE1 TYR 13 HE1 TYR 13 29.706 4.542 -15.865 103 HE2 TYR 13 HE2 TYR 13 28.129 0.642 -16.576 104 HH TYR 13 HH TYR 13 30.895 2.472 -16.763 105 H ASP 14 H ASP 14 24.001 6.908 -15.037 106 HA ASP 14 HA ASP 14 21.212 6.899 -14.602 107 HB2 ASP 14 1HB ASP 14 21.333 9.305 -15.215 108 HB3 ASP 14 2HB ASP 14 22.542 8.839 -14.022 109 H TYR 15 H TYR 15 19.575 7.774 -16.090 110 HA TYR 15 HA TYR 15 20.139 7.325 -18.926 111 HB2 TYR 15 1HB TYR 15 19.143 5.248 -17.704 112 HB3 TYR 15 2HB TYR 15 17.639 6.161 -17.740 113 HD1 TYR 15 HD2 TYR 15 20.397 5.578 -20.203 114 HD2 TYR 15 HD1 TYR 15 16.225 5.397 -19.387 115 HE1 TYR 15 HE2 TYR 15 19.987 4.803 -22.500 116 HE2 TYR 15 HE1 TYR 15 15.804 4.620 -21.682 117 HH TYR 15 HH TYR 15 18.476 4.124 -23.973 118 H GLN 16 H GLN 16 18.102 7.920 -20.250 119 HA GLN 16 HA GLN 16 16.490 10.001 -19.014 120 HB2 GLN 16 1HB GLN 16 18.815 10.634 -20.486 121 HB3 GLN 16 2HB GLN 16 17.448 11.023 -21.522 122 HG2 GLN 16 1HG GLN 16 17.400 12.967 -20.446 123 HG3 GLN 16 2HG GLN 16 16.674 12.067 -19.116 124 HE21 GLN 16 2HE2 GLN 16 17.579 12.441 -17.237 125 HE22 GLN 16 1HE2 GLN 16 19.237 12.837 -16.957 126 H GLU 17 H GLU 17 14.589 9.006 -19.448 127 HA GLU 17 HA GLU 17 13.901 7.473 -21.627 128 HB2 GLU 17 1HB GLU 17 11.539 8.107 -21.121 129 HB3 GLU 17 2HB GLU 17 12.453 7.578 -19.716 130 HG2 GLU 17 1HG GLU 17 11.268 9.422 -18.957 131 HG3 GLU 17 2HG GLU 17 12.879 10.059 -19.283 132 H LYS 18 H LYS 18 12.912 7.848 -23.606 133 HA LYS 18 HA LYS 18 13.051 10.629 -24.573 134 HB2 LYS 18 1HB LYS 18 13.560 9.697 -26.804 135 HB3 LYS 18 2HB LYS 18 14.784 9.285 -25.610 136 HG2 LYS 18 1HG LYS 18 12.561 7.371 -26.129 137 HG3 LYS 18 2HG LYS 18 13.893 7.490 -27.281 138 HD2 LYS 18 1HD LYS 18 14.858 7.374 -24.557 139 HD3 LYS 18 2HD LYS 18 13.832 5.988 -24.936 140 HE2 LYS 18 1HE LYS 18 15.778 5.146 -25.725 141 HE3 LYS 18 2HE LYS 18 15.319 6.058 -27.163 142 HZ1 LYS 18 3HZ LYS 18 16.752 7.824 -26.544 143 HZ2 LYS 18 1HZ LYS 18 17.652 6.398 -26.404 144 HZ3 LYS 18 2HZ LYS 18 17.047 7.156 -25.018 145 H SER 19 H SER 19 11.195 7.714 -24.352 146 HA SER 19 HA SER 19 8.971 9.065 -25.734 147 HB2 SER 19 1HB SER 19 10.150 6.441 -26.227 148 HB3 SER 19 2HB SER 19 8.413 6.356 -25.936 149 HG SER 19 HG SER 19 9.486 8.264 -27.709 150 HA PRO 20 HA PRO 20 6.482 8.403 -22.184 151 HB2 PRO 20 1HB PRO 20 4.067 7.799 -23.267 152 HB3 PRO 20 2HB PRO 20 4.763 9.423 -23.316 153 HG2 PRO 20 1HG PRO 20 4.732 7.311 -25.437 154 HG3 PRO 20 2HG PRO 20 4.437 9.053 -25.589 155 HD2 PRO 20 1HD PRO 20 6.806 7.914 -26.240 156 HD3 PRO 20 2HD PRO 20 6.685 9.561 -25.588 157 H ARG 21 H ARG 21 6.893 5.848 -24.463 158 HA ARG 21 HA ARG 21 5.630 3.881 -22.711 159 HB2 ARG 21 1HB ARG 21 5.991 2.299 -24.536 160 HB3 ARG 21 2HB ARG 21 5.171 3.742 -25.118 161 HG2 ARG 21 1HG ARG 21 7.058 4.506 -26.250 162 HG3 ARG 21 2HG ARG 21 8.143 3.457 -25.336 163 HD2 ARG 21 1HD ARG 21 7.965 1.891 -26.898 164 HD3 ARG 21 2HD ARG 21 6.220 1.828 -26.650 165 HE ARG 21 HE ARG 21 7.618 3.110 -28.804 166 HH11 ARG 21 1HH1 ARG 21 4.694 3.080 -26.915 167 HH12 ARG 21 2HH1 ARG 21 3.734 3.823 -28.151 168 HH21 ARG 21 1HH2 ARG 21 6.364 4.089 -30.439 169 HH22 ARG 21 2HH2 ARG 21 4.684 4.396 -30.155 170 H GLU 22 H GLU 22 8.210 5.345 -22.150 171 HA GLU 22 HA GLU 22 9.764 2.956 -21.473 172 HB2 GLU 22 1HB GLU 22 10.566 4.383 -23.576 173 HB3 GLU 22 2HB GLU 22 11.289 5.370 -22.314 174 HG2 GLU 22 1HG GLU 22 13.010 3.985 -22.325 175 HG3 GLU 22 2HG GLU 22 11.951 2.756 -21.636 176 H VAL 23 H VAL 23 11.593 3.582 -19.910 177 HA VAL 23 HA VAL 23 10.660 5.699 -18.085 178 HB VAL 23 HB VAL 23 11.566 4.195 -16.223 179 HG11 VAL 23 1HG1 VAL 23 9.253 4.562 -16.276 180 HG12 VAL 23 2HG1 VAL 23 9.049 3.627 -17.759 181 HG13 VAL 23 3HG1 VAL 23 9.421 2.807 -16.242 182 HG21 VAL 23 3HG2 VAL 23 12.265 2.116 -16.651 183 HG22 VAL 23 1HG2 VAL 23 10.897 1.790 -17.716 184 HG23 VAL 23 2HG2 VAL 23 12.329 2.605 -18.344 185 H THR 24 H THR 24 12.516 5.905 -16.274 186 HA THR 24 HA THR 24 15.142 5.914 -17.574 187 HB THR 24 HB THR 24 13.944 8.176 -17.811 188 HG1 THR 24 HG1 THR 24 16.384 8.430 -16.419 189 HG21 THR 24 3HG2 THR 24 13.778 9.598 -15.967 190 HG22 THR 24 1HG2 THR 24 14.848 8.602 -14.982 191 HG23 THR 24 2HG2 THR 24 13.210 8.052 -15.338 192 H MET 25 H MET 25 16.896 6.504 -15.980 193 HA MET 25 HA MET 25 16.214 5.849 -13.213 194 HB2 MET 25 1HB MET 25 18.547 4.490 -14.533 195 HB3 MET 25 2HB MET 25 17.754 4.083 -13.017 196 HG2 MET 25 1HG MET 25 16.876 2.446 -14.293 197 HG3 MET 25 2HG MET 25 15.697 3.704 -14.654 198 HE1 MET 25 3HE MET 25 18.922 1.757 -16.876 199 HE2 MET 25 1HE MET 25 19.467 3.432 -16.952 200 HE3 MET 25 2HE MET 25 19.147 2.679 -15.389 201 H LYS 26 H LYS 26 18.247 6.073 -11.797 202 HA LYS 26 HA LYS 26 19.915 8.287 -12.790 203 HB2 LYS 26 1HB LYS 26 18.714 8.035 -10.025 204 HB3 LYS 26 2HB LYS 26 19.816 9.302 -10.548 205 HG2 LYS 26 1HG LYS 26 18.211 10.227 -12.013 206 HG3 LYS 26 2HG LYS 26 17.159 8.818 -11.863 207 HD2 LYS 26 1HD LYS 26 16.108 10.300 -10.454 208 HD3 LYS 26 2HD LYS 26 17.172 9.463 -9.322 209 HE2 LYS 26 1HE LYS 26 18.148 11.920 -10.705 210 HE3 LYS 26 2HE LYS 26 17.034 12.081 -9.348 211 HZ1 LYS 26 3HZ LYS 26 19.023 10.263 -8.617 212 HZ2 LYS 26 1HZ LYS 26 18.735 11.805 -7.983 213 HZ3 LYS 26 2HZ LYS 26 19.797 11.611 -9.285 214 H LYS 27 H LYS 27 22.007 8.470 -11.833 215 HA LYS 27 HA LYS 27 23.394 6.080 -11.557 216 HB2 LYS 27 1HB LYS 27 25.222 7.518 -10.571 217 HB3 LYS 27 2HB LYS 27 24.610 8.040 -12.135 218 HG2 LYS 27 1HG LYS 27 23.177 9.261 -9.927 219 HG3 LYS 27 2HG LYS 27 24.908 9.605 -9.889 220 HD2 LYS 27 1HD LYS 27 24.470 10.036 -12.481 221 HD3 LYS 27 2HD LYS 27 22.851 10.395 -11.876 222 HE2 LYS 27 1HE LYS 27 23.992 11.909 -10.181 223 HE3 LYS 27 2HE LYS 27 25.451 11.720 -11.152 224 HZ1 LYS 27 3HZ LYS 27 24.710 13.236 -12.564 225 HZ2 LYS 27 1HZ LYS 27 23.377 13.511 -11.558 226 HZ3 LYS 27 2HZ LYS 27 23.270 12.385 -12.816 227 H GLY 28 H GLY 28 22.902 4.603 -10.046 228 HA2 GLY 28 1HA GLY 28 23.252 3.751 -7.868 229 HA3 GLY 28 2HA GLY 28 23.206 5.393 -7.244 230 H ASP 29 H ASP 29 20.755 4.432 -9.473 231 HA ASP 29 HA ASP 29 18.767 4.655 -7.351 232 HB2 ASP 29 1HB ASP 29 18.717 5.796 -9.724 233 HB3 ASP 29 2HB ASP 29 18.053 4.244 -10.228 234 H ILE 30 H ILE 30 16.754 3.170 -7.781 235 HA ILE 30 HA ILE 30 17.607 0.444 -8.437 236 HB ILE 30 HB ILE 30 16.122 1.128 -5.898 237 HG12 ILE 30 1HG1 ILE 30 18.961 0.134 -6.228 238 HG13 ILE 30 2HG1 ILE 30 18.525 1.801 -5.871 239 HG21 ILE 30 1HG2 ILE 30 17.255 -1.479 -5.911 240 HG22 ILE 30 2HG2 ILE 30 15.557 -1.015 -5.824 241 HG23 ILE 30 3HG2 ILE 30 16.322 -1.269 -7.392 242 HD11 ILE 30 3HD1 ILE 30 19.020 -0.248 -4.056 243 HD12 ILE 30 1HD1 ILE 30 18.376 1.357 -3.710 244 HD13 ILE 30 2HD1 ILE 30 17.277 0.009 -4.005 245 H LEU 31 H LEU 31 16.124 -0.673 -9.551 246 HA LEU 31 HA LEU 31 13.336 0.258 -9.510 247 HB2 LEU 31 1HB LEU 31 15.041 -0.343 -11.912 248 HB3 LEU 31 2HB LEU 31 13.281 -0.299 -11.980 249 HG LEU 31 HG LEU 31 14.064 1.783 -12.797 250 HD11 LEU 31 1HD1 LEU 31 13.407 2.519 -9.981 251 HD12 LEU 31 2HD1 LEU 31 12.212 1.676 -10.967 252 HD13 LEU 31 3HD1 LEU 31 12.847 3.236 -11.492 253 HD21 LEU 31 3HD2 LEU 31 15.448 2.778 -10.457 254 HD22 LEU 31 1HD2 LEU 31 15.950 2.769 -12.147 255 HD23 LEU 31 2HD2 LEU 31 16.242 1.355 -11.134 256 H THR 32 H THR 32 11.816 -1.312 -9.475 257 HA THR 32 HA THR 32 12.674 -4.003 -8.961 258 HB THR 32 HB THR 32 9.797 -3.570 -9.406 259 HG1 THR 32 HG1 THR 32 9.512 -2.096 -7.827 260 HG21 THR 32 3HG2 THR 32 9.602 -5.101 -7.756 261 HG22 THR 32 1HG2 THR 32 10.854 -4.349 -6.769 262 HG23 THR 32 2HG2 THR 32 11.303 -5.408 -8.105 263 H LEU 33 H LEU 33 12.882 -5.602 -10.380 264 HA LEU 33 HA LEU 33 12.246 -5.183 -13.151 265 HB2 LEU 33 1HB LEU 33 14.277 -6.362 -12.438 266 HB3 LEU 33 2HB LEU 33 13.283 -7.637 -11.737 267 HG LEU 33 HG LEU 33 14.393 -8.035 -14.029 268 HD11 LEU 33 1HD1 LEU 33 12.729 -9.564 -14.593 269 HD12 LEU 33 2HD1 LEU 33 11.438 -8.531 -13.981 270 HD13 LEU 33 3HD1 LEU 33 12.524 -9.344 -12.855 271 HD21 LEU 33 3HD2 LEU 33 13.609 -5.835 -14.944 272 HD22 LEU 33 1HD2 LEU 33 11.975 -6.500 -14.963 273 HD23 LEU 33 2HD2 LEU 33 13.238 -7.235 -15.951 274 H LEU 34 H LEU 34 10.360 -5.607 -14.072 275 HA LEU 34 HA LEU 34 8.439 -7.316 -12.686 276 HB2 LEU 34 1HB LEU 34 8.287 -5.129 -14.667 277 HB3 LEU 34 2HB LEU 34 7.068 -6.394 -14.804 278 HG LEU 34 HG LEU 34 6.345 -4.404 -13.496 279 HD11 LEU 34 1HD1 LEU 34 6.055 -6.188 -11.353 280 HD12 LEU 34 2HD1 LEU 34 6.122 -7.179 -12.811 281 HD13 LEU 34 3HD1 LEU 34 4.924 -5.892 -12.673 282 HD21 LEU 34 3HD2 LEU 34 8.435 -5.380 -11.553 283 HD22 LEU 34 1HD2 LEU 34 7.211 -4.158 -11.206 284 HD23 LEU 34 2HD2 LEU 34 8.446 -3.847 -12.427 285 H ASN 35 H ASN 35 10.264 -7.110 -15.673 286 HA ASN 35 HA ASN 35 9.804 -9.921 -16.163 287 HB2 ASN 35 1HB ASN 35 8.368 -7.863 -17.637 288 HB3 ASN 35 2HB ASN 35 9.333 -8.882 -18.702 289 HD21 ASN 35 2HD2 ASN 35 9.118 -11.273 -18.239 290 HD22 ASN 35 1HD2 ASN 35 7.521 -11.855 -17.931 291 H SER 36 H SER 36 11.559 -10.846 -17.039 292 HA SER 36 HA SER 36 13.570 -9.084 -18.279 293 HB2 SER 36 1HB SER 36 15.270 -10.737 -17.320 294 HB3 SER 36 2HB SER 36 14.485 -9.656 -16.168 295 HG SER 36 HG SER 36 14.534 -12.295 -16.136 296 H THR 37 H THR 37 11.556 -10.488 -19.686 297 HA THR 37 HA THR 37 12.317 -12.985 -20.676 298 HB THR 37 HB THR 37 10.794 -12.640 -22.471 299 HG1 THR 37 HG1 THR 37 10.206 -10.630 -23.191 300 HG21 THR 37 3HG2 THR 37 9.889 -12.646 -20.084 301 HG22 THR 37 1HG2 THR 37 8.816 -12.037 -21.342 302 HG23 THR 37 2HG2 THR 37 9.665 -10.909 -20.285 303 H ASN 38 H ASN 38 13.547 -9.821 -21.346 304 HA ASN 38 HA ASN 38 15.150 -10.894 -23.570 305 HB2 ASN 38 1HB ASN 38 13.576 -8.736 -23.701 306 HB3 ASN 38 2HB ASN 38 15.026 -7.963 -23.066 307 HD21 ASN 38 2HD2 ASN 38 14.435 -10.555 -25.418 308 HD22 ASN 38 1HD2 ASN 38 15.358 -9.840 -26.692 309 H LYS 39 H LYS 39 17.336 -9.716 -23.763 310 HA LYS 39 HA LYS 39 18.572 -9.660 -21.089 311 HB2 LYS 39 1HB LYS 39 20.689 -10.261 -22.311 312 HB3 LYS 39 2HB LYS 39 19.445 -11.504 -22.326 313 HG2 LYS 39 1HG LYS 39 18.866 -11.009 -24.580 314 HG3 LYS 39 2HG LYS 39 19.879 -9.564 -24.583 315 HD2 LYS 39 1HD LYS 39 21.104 -11.226 -25.736 316 HD3 LYS 39 2HD LYS 39 21.841 -11.100 -24.137 317 HE2 LYS 39 1HE LYS 39 21.664 -13.403 -24.535 318 HE3 LYS 39 2HE LYS 39 20.312 -13.027 -23.467 319 HZ1 LYS 39 3HZ LYS 39 19.720 -12.835 -26.291 320 HZ2 LYS 39 1HZ LYS 39 18.823 -13.538 -25.040 321 HZ3 LYS 39 2HZ LYS 39 20.092 -14.396 -25.757 322 H ASP 40 H ASP 40 18.172 -7.982 -24.104 323 HA ASP 40 HA ASP 40 20.229 -6.036 -23.608 324 HB2 ASP 40 1HB ASP 40 17.939 -6.016 -25.587 325 HB3 ASP 40 2HB ASP 40 19.282 -4.876 -25.573 326 H TRP 41 H TRP 41 16.684 -6.073 -23.430 327 HA TRP 41 HA TRP 41 16.843 -3.709 -21.681 328 HB2 TRP 41 1HB TRP 41 14.681 -4.275 -23.722 329 HB3 TRP 41 2HB TRP 41 14.736 -2.895 -22.629 330 HD1 TRP 41 HD1 TRP 41 16.623 -4.340 -25.670 331 HE1 TRP 41 HE1 TRP 41 17.798 -2.397 -26.882 332 HE3 TRP 41 HE3 TRP 41 15.565 -0.573 -22.379 333 HZ2 TRP 41 HZ2 TRP 41 18.221 0.367 -26.493 334 HZ3 TRP 41 HZ3 TRP 41 16.392 1.691 -22.873 335 HH2 TRP 41 HH2 TRP 41 17.693 2.149 -24.888 336 H TRP 42 H TRP 42 15.557 -3.710 -19.881 337 HA TRP 42 HA TRP 42 13.963 -6.146 -19.420 338 HB2 TRP 42 1HB TRP 42 15.540 -4.550 -17.390 339 HB3 TRP 42 2HB TRP 42 14.553 -5.965 -17.038 340 HD1 TRP 42 HD1 TRP 42 15.623 -7.661 -19.629 341 HE1 TRP 42 HE1 TRP 42 17.967 -8.713 -19.479 342 HE3 TRP 42 HE3 TRP 42 17.579 -4.756 -15.905 343 HZ2 TRP 42 HZ2 TRP 42 20.332 -8.359 -17.979 344 HZ3 TRP 42 HZ3 TRP 42 19.889 -5.178 -15.170 345 HH2 TRP 42 HH2 TRP 42 21.235 -6.943 -16.186 346 H LYS 43 H LYS 43 11.972 -5.941 -18.459 347 HA LYS 43 HA LYS 43 10.826 -3.267 -18.516 348 HB2 LYS 43 1HB LYS 43 9.612 -5.069 -19.630 349 HB3 LYS 43 2HB LYS 43 9.541 -5.976 -18.125 350 HG2 LYS 43 1HG LYS 43 7.464 -5.050 -18.122 351 HG3 LYS 43 2HG LYS 43 8.351 -3.790 -17.261 352 HD2 LYS 43 1HD LYS 43 7.562 -2.366 -18.788 353 HD3 LYS 43 2HD LYS 43 8.671 -3.127 -19.931 354 HE2 LYS 43 1HE LYS 43 7.016 -4.417 -20.882 355 HE3 LYS 43 2HE LYS 43 6.002 -4.367 -19.441 356 HZ1 LYS 43 3HZ LYS 43 6.500 -1.862 -20.876 357 HZ2 LYS 43 1HZ LYS 43 5.136 -2.353 -20.004 358 HZ3 LYS 43 2HZ LYS 43 5.414 -2.968 -21.555 359 H VAL 44 H VAL 44 11.082 -2.098 -16.722 360 HA VAL 44 HA VAL 44 10.690 -3.430 -14.121 361 HB VAL 44 HB VAL 44 12.031 -1.644 -13.115 362 HG11 VAL 44 1HG1 VAL 44 13.545 -3.267 -13.437 363 HG12 VAL 44 2HG1 VAL 44 13.056 -3.526 -15.112 364 HG13 VAL 44 3HG1 VAL 44 14.164 -2.215 -14.709 365 HG21 VAL 44 3HG2 VAL 44 13.290 -0.564 -15.431 366 HG22 VAL 44 1HG2 VAL 44 11.547 -0.343 -15.580 367 HG23 VAL 44 2HG2 VAL 44 12.397 0.279 -14.165 368 H GLU 45 H GLU 45 9.746 -2.053 -12.414 369 HA GLU 45 HA GLU 45 7.680 -0.286 -13.544 370 HB2 GLU 45 1HB GLU 45 6.682 -2.201 -12.503 371 HB3 GLU 45 2HB GLU 45 7.675 -2.008 -11.065 372 HG2 GLU 45 1HG GLU 45 5.836 0.193 -11.866 373 HG3 GLU 45 2HG GLU 45 5.179 -1.244 -11.083 374 H VAL 46 H VAL 46 8.008 1.800 -13.205 375 HA VAL 46 HA VAL 46 9.496 2.629 -10.801 376 HB VAL 46 HB VAL 46 10.182 4.608 -11.957 377 HG11 VAL 46 1HG1 VAL 46 11.781 3.620 -13.195 378 HG12 VAL 46 2HG1 VAL 46 11.050 2.126 -12.605 379 HG13 VAL 46 3HG1 VAL 46 10.617 2.754 -14.196 380 HG21 VAL 46 3HG2 VAL 46 9.514 5.007 -14.326 381 HG22 VAL 46 1HG2 VAL 46 8.341 3.701 -14.165 382 HG23 VAL 46 2HG2 VAL 46 8.187 5.151 -13.174 383 H LYS 47 H LYS 47 8.910 4.962 -10.141 384 HA LYS 47 HA LYS 47 5.999 5.054 -9.837 385 HB2 LYS 47 1HB LYS 47 7.018 5.134 -7.728 386 HB3 LYS 47 2HB LYS 47 8.293 6.211 -8.282 387 HG2 LYS 47 1HG LYS 47 7.049 8.068 -7.974 388 HG3 LYS 47 2HG LYS 47 5.542 7.267 -8.424 389 HD2 LYS 47 1HD LYS 47 6.971 6.691 -5.840 390 HD3 LYS 47 2HD LYS 47 5.777 7.982 -5.995 391 HE2 LYS 47 1HE LYS 47 4.244 6.149 -6.956 392 HE3 LYS 47 2HE LYS 47 5.396 5.018 -6.249 393 HZ1 LYS 47 3HZ LYS 47 3.289 6.092 -4.956 394 HZ2 LYS 47 1HZ LYS 47 4.550 7.100 -4.449 395 HZ3 LYS 47 2HZ LYS 47 4.650 5.430 -4.201 396 H ALA 48 H ALA 48 4.767 6.704 -10.570 397 HA ALA 48 HA ALA 48 6.149 8.939 -11.907 398 HB1 ALA 48 1HB ALA 48 4.074 7.103 -12.914 399 HB2 ALA 48 2HB ALA 48 3.852 8.810 -13.301 400 HB3 ALA 48 3HB ALA 48 5.334 7.983 -13.780 401 H THR 49 H THR 49 5.422 10.956 -11.491 402 HA THR 49 HA THR 49 3.145 11.192 -9.639 403 HB THR 49 HB THR 49 5.394 13.172 -10.037 404 HG1 THR 49 HG1 THR 49 5.112 10.939 -8.377 405 HG21 THR 49 3HG2 THR 49 2.868 13.258 -8.630 406 HG22 THR 49 1HG2 THR 49 4.033 14.548 -8.923 407 HG23 THR 49 2HG2 THR 49 4.224 13.488 -7.527 408 H ALA 50 H ALA 50 1.350 11.835 -10.628 409 HA ALA 50 HA ALA 50 1.521 14.068 -12.527 410 HB1 ALA 50 1HB ALA 50 0.261 11.400 -12.983 411 HB2 ALA 50 2HB ALA 50 -0.423 12.834 -13.748 412 HB3 ALA 50 3HB ALA 50 1.250 12.377 -14.069 413 H ASN 51 H ASN 51 0.000 15.605 -12.257 414 HA ASN 51 HA ASN 51 -1.672 16.800 -11.280 415 HB2 ASN 51 1HB ASN 51 -3.155 14.204 -10.904 416 HB3 ASN 51 2HB ASN 51 -3.815 15.808 -11.209 417 HD21 ASN 51 2HD2 ASN 51 -2.716 12.907 -12.572 418 HD22 ASN 51 1HD2 ASN 51 -2.858 13.354 -14.235 419 H GLY 52 H GLY 52 0.421 15.442 -9.606 420 HA2 GLY 52 1HA GLY 52 0.897 15.757 -7.341 421 HA3 GLY 52 2HA GLY 52 -0.809 16.060 -7.047 422 H LYS 53 H LYS 53 -0.994 13.397 -8.791 423 HA LYS 53 HA LYS 53 -1.000 11.674 -6.420 424 HB2 LYS 53 1HB LYS 53 -2.563 11.804 -8.918 425 HB3 LYS 53 2HB LYS 53 -2.161 10.179 -8.377 426 HG2 LYS 53 1HG LYS 53 -4.323 10.844 -7.525 427 HG3 LYS 53 2HG LYS 53 -3.173 10.661 -6.199 428 HD2 LYS 53 1HD LYS 53 -4.392 12.649 -5.767 429 HD3 LYS 53 2HD LYS 53 -2.799 13.152 -6.336 430 HE2 LYS 53 1HE LYS 53 -4.399 14.524 -7.434 431 HE3 LYS 53 2HE LYS 53 -3.797 13.375 -8.628 432 HZ1 LYS 53 3HZ LYS 53 -6.082 12.364 -7.260 433 HZ2 LYS 53 1HZ LYS 53 -5.825 12.562 -8.921 434 HZ3 LYS 53 2HZ LYS 53 -6.421 13.848 -7.998 435 H THR 54 H THR 54 0.155 9.798 -6.289 436 HA THR 54 HA THR 54 2.247 9.444 -8.314 437 HB THR 54 HB THR 54 3.050 7.770 -6.396 438 HG1 THR 54 HG1 THR 54 1.071 8.411 -5.168 439 HG21 THR 54 3HG2 THR 54 3.401 10.727 -6.676 440 HG22 THR 54 1HG2 THR 54 4.546 9.429 -7.007 441 HG23 THR 54 2HG2 THR 54 4.176 9.875 -5.341 442 H TYR 55 H TYR 55 1.939 7.931 -9.798 443 HA TYR 55 HA TYR 55 0.497 5.479 -9.030 444 HB2 TYR 55 1HB TYR 55 -0.548 5.383 -11.175 445 HB3 TYR 55 2HB TYR 55 -0.799 7.012 -10.558 446 HD1 TYR 55 HD2 TYR 55 0.408 8.912 -11.539 447 HD2 TYR 55 HD1 TYR 55 0.811 4.982 -13.120 448 HE1 TYR 55 HE2 TYR 55 1.385 9.845 -13.594 449 HE2 TYR 55 HE1 TYR 55 1.790 5.905 -15.180 450 HH TYR 55 HH TYR 55 2.221 7.770 -16.339 451 H GLU 56 H GLU 56 1.390 3.564 -9.611 452 HA GLU 56 HA GLU 56 4.135 3.559 -10.414 453 HB2 GLU 56 1HB GLU 56 2.137 1.393 -9.803 454 HB3 GLU 56 2HB GLU 56 3.744 1.015 -10.409 455 HG2 GLU 56 1HG GLU 56 4.574 2.470 -8.446 456 HG3 GLU 56 2HG GLU 56 2.953 2.229 -7.798 457 H ARG 57 H ARG 57 4.998 3.249 -12.373 458 HA ARG 57 HA ARG 57 3.225 2.370 -14.553 459 HB2 ARG 57 1HB ARG 57 4.510 3.935 -16.044 460 HB3 ARG 57 2HB ARG 57 3.484 4.724 -14.853 461 HG2 ARG 57 1HG ARG 57 5.331 5.330 -13.517 462 HG3 ARG 57 2HG ARG 57 6.417 4.261 -14.407 463 HD2 ARG 57 1HD ARG 57 5.073 6.740 -15.477 464 HD3 ARG 57 2HD ARG 57 6.775 6.580 -15.047 465 HE ARG 57 HE ARG 57 6.347 4.622 -16.902 466 HH11 ARG 57 1HH1 ARG 57 5.901 8.074 -16.808 467 HH12 ARG 57 2HH1 ARG 57 6.171 8.286 -18.506 468 HH21 ARG 57 1HH2 ARG 57 6.705 4.889 -19.139 469 HH22 ARG 57 2HH2 ARG 57 6.627 6.474 -19.831 470 H GLN 58 H GLN 58 4.079 0.968 -16.029 471 HA GLN 58 HA GLN 58 6.691 -0.162 -15.346 472 HB2 GLN 58 1HB GLN 58 4.385 -1.215 -16.981 473 HB3 GLN 58 2HB GLN 58 5.939 -2.031 -16.879 474 HG2 GLN 58 1HG GLN 58 5.676 -2.437 -14.562 475 HG3 GLN 58 2HG GLN 58 4.280 -1.364 -14.466 476 HE21 GLN 58 2HE2 GLN 58 5.353 -4.219 -16.285 477 HE22 GLN 58 1HE2 GLN 58 3.841 -5.049 -16.205 478 H GLY 59 H GLY 59 8.415 -0.077 -16.672 479 HA2 GLY 59 1HA GLY 59 8.031 0.732 -19.462 480 HA3 GLY 59 2HA GLY 59 9.044 1.746 -18.445 481 H PHE 60 H PHE 60 10.359 0.935 -20.498 482 HA PHE 60 HA PHE 60 11.782 -1.527 -19.742 483 HB2 PHE 60 1HB PHE 60 11.753 -0.122 -22.421 484 HB3 PHE 60 2HB PHE 60 12.524 -1.663 -22.061 485 HD1 PHE 60 HD2 PHE 60 11.188 -3.670 -21.708 486 HD2 PHE 60 HD1 PHE 60 9.383 0.046 -22.734 487 HE1 PHE 60 HE2 PHE 60 9.111 -4.847 -22.301 488 HE2 PHE 60 HE1 PHE 60 7.302 -1.126 -23.328 489 HZ PHE 60 HZ PHE 60 7.164 -3.575 -23.113 490 H VAL 61 H VAL 61 14.024 -1.549 -19.620 491 HA VAL 61 HA VAL 61 15.421 1.014 -19.893 492 HB VAL 61 HB VAL 61 16.603 0.651 -17.755 493 HG11 VAL 61 1HG1 VAL 61 14.579 2.100 -17.946 494 HG12 VAL 61 2HG1 VAL 61 13.617 0.742 -17.358 495 HG13 VAL 61 3HG1 VAL 61 14.860 1.456 -16.329 496 HG21 VAL 61 3HG2 VAL 61 16.037 -1.024 -16.230 497 HG22 VAL 61 1HG2 VAL 61 14.519 -1.387 -17.050 498 HG23 VAL 61 2HG2 VAL 61 16.052 -1.860 -17.782 499 HA PRO 62 HA PRO 62 18.574 -1.413 -21.762 500 HB2 PRO 62 1HB PRO 62 20.738 0.148 -21.263 501 HB3 PRO 62 2HB PRO 62 19.502 0.572 -22.453 502 HG2 PRO 62 1HG PRO 62 19.839 1.545 -19.642 503 HG3 PRO 62 2HG PRO 62 19.431 2.464 -21.102 504 HD2 PRO 62 1HD PRO 62 17.566 1.700 -19.294 505 HD3 PRO 62 2HD PRO 62 17.213 1.840 -21.028 506 H ALA 63 H ALA 63 19.349 -3.260 -20.975 507 HA ALA 63 HA ALA 63 19.954 -3.709 -18.260 508 HB1 ALA 63 1HB ALA 63 20.909 -5.869 -19.081 509 HB2 ALA 63 2HB ALA 63 19.259 -5.545 -19.614 510 HB3 ALA 63 3HB ALA 63 20.607 -5.309 -20.726 511 H ALA 64 H ALA 64 21.747 -2.205 -20.695 512 HA ALA 64 HA ALA 64 24.364 -2.949 -19.759 513 HB1 ALA 64 1HB ALA 64 24.074 -2.390 -22.087 514 HB2 ALA 64 2HB ALA 64 23.476 -0.785 -21.662 515 HB3 ALA 64 3HB ALA 64 25.155 -1.216 -21.334 516 H TYR 65 H TYR 65 22.006 -0.596 -18.923 517 HA TYR 65 HA TYR 65 23.983 1.002 -17.456 518 HB2 TYR 65 1HB TYR 65 21.107 1.555 -18.199 519 HB3 TYR 65 2HB TYR 65 22.060 2.602 -17.152 520 HD1 TYR 65 HD1 TYR 65 22.382 0.952 -20.497 521 HD2 TYR 65 HD2 TYR 65 23.039 4.435 -18.143 522 HE1 TYR 65 HE1 TYR 65 23.263 2.115 -22.476 523 HE2 TYR 65 HE2 TYR 65 23.921 5.609 -20.116 524 HH TYR 65 HH TYR 65 23.721 5.447 -22.597 525 H VAL 66 H VAL 66 21.331 -1.192 -17.051 526 HA VAL 66 HA VAL 66 21.531 -0.866 -14.127 527 HB VAL 66 HB VAL 66 19.205 -1.894 -14.084 528 HG11 VAL 66 1HG1 VAL 66 18.974 0.262 -13.495 529 HG12 VAL 66 2HG1 VAL 66 19.991 0.837 -14.818 530 HG13 VAL 66 3HG1 VAL 66 18.296 0.447 -15.112 531 HG21 VAL 66 3HG2 VAL 66 18.884 -0.881 -16.872 532 HG22 VAL 66 1HG2 VAL 66 19.500 -2.512 -16.610 533 HG23 VAL 66 2HG2 VAL 66 17.916 -2.057 -15.984 534 H LYS 67 H LYS 67 21.468 -2.748 -12.847 535 HA LYS 67 HA LYS 67 21.776 -5.298 -14.269 536 HB2 LYS 67 1HB LYS 67 24.031 -4.627 -13.850 537 HB3 LYS 67 2HB LYS 67 23.649 -4.148 -12.202 538 HG2 LYS 67 1HG LYS 67 23.516 -6.351 -11.461 539 HG3 LYS 67 2HG LYS 67 23.328 -6.987 -13.097 540 HD2 LYS 67 1HD LYS 67 25.827 -5.517 -12.416 541 HD3 LYS 67 2HD LYS 67 25.625 -7.163 -11.813 542 HE2 LYS 67 1HE LYS 67 24.984 -7.708 -14.268 543 HE3 LYS 67 2HE LYS 67 25.790 -6.184 -14.638 544 HZ1 LYS 67 3HZ LYS 67 27.136 -8.365 -14.676 545 HZ2 LYS 67 1HZ LYS 67 27.153 -8.210 -12.991 546 HZ3 LYS 67 2HZ LYS 67 27.822 -6.995 -13.959 547 H LYS 68 H LYS 68 21.015 -7.091 -13.195 548 HA LYS 68 HA LYS 68 19.049 -6.648 -11.190 549 HB2 LYS 68 1HB LYS 68 18.683 -9.036 -11.266 550 HB3 LYS 68 2HB LYS 68 18.893 -8.433 -12.905 551 HG2 LYS 68 1HG LYS 68 21.374 -9.121 -12.559 552 HG3 LYS 68 2HG LYS 68 20.722 -10.123 -11.261 553 HD2 LYS 68 1HD LYS 68 20.616 -11.596 -13.017 554 HD3 LYS 68 2HD LYS 68 19.018 -10.856 -13.127 555 HE2 LYS 68 1HE LYS 68 19.676 -10.682 -15.307 556 HE3 LYS 68 2HE LYS 68 20.300 -9.154 -14.686 557 HZ1 LYS 68 3HZ LYS 68 22.341 -9.772 -15.226 558 HZ2 LYS 68 1HZ LYS 68 21.725 -11.183 -15.929 559 HZ3 LYS 68 2HZ LYS 68 22.216 -11.189 -14.310 560 H LEU 69 H LEU 69 19.038 -7.180 -9.026 561 HA LEU 69 HA LEU 69 21.663 -7.830 -7.855 562 HB2 LEU 69 1HB LEU 69 19.552 -5.886 -7.048 563 HB3 LEU 69 2HB LEU 69 20.550 -6.631 -5.801 564 HG LEU 69 HG LEU 69 22.544 -5.675 -6.754 565 HD11 LEU 69 1HD1 LEU 69 22.314 -4.068 -8.678 566 HD12 LEU 69 2HD1 LEU 69 20.707 -4.742 -8.946 567 HD13 LEU 69 3HD1 LEU 69 22.130 -5.774 -9.083 568 HD21 LEU 69 3HD2 LEU 69 20.563 -3.428 -6.772 569 HD22 LEU 69 1HD2 LEU 69 22.206 -3.464 -6.130 570 HD23 LEU 69 2HD2 LEU 69 20.911 -4.317 -5.288 571 H ASP 70 H ASP 70 20.411 -10.008 -8.469 572 HA ASP 70 HA ASP 70 18.810 -10.845 -6.152 573 HB2 ASP 70 1HB ASP 70 18.365 -12.889 -7.652 574 HB3 ASP 70 2HB ASP 70 17.611 -11.363 -8.104 Start of MODEL 12 1 H1 MET 1 H MET 1 3.337 3.820 -3.400 2 HA MET 1 HA MET 1 5.893 2.921 -3.704 3 HB2 MET 1 1HB MET 1 5.890 2.404 -1.300 4 HB3 MET 1 2HB MET 1 5.092 3.935 -1.638 5 HG2 MET 1 1HG MET 1 3.017 3.137 -1.090 6 HG3 MET 1 2HG MET 1 3.445 1.466 -1.452 7 HE1 MET 1 3HE MET 1 3.377 0.066 1.763 8 HE2 MET 1 1HE MET 1 3.278 -0.012 0.004 9 HE3 MET 1 2HE MET 1 4.840 -0.173 0.807 10 H ASP 2 H ASP 2 4.194 1.216 -5.255 11 HA ASP 2 HA ASP 2 4.423 -1.395 -3.958 12 HB2 ASP 2 1HB ASP 2 3.113 -0.559 -6.553 13 HB3 ASP 2 2HB ASP 2 3.155 -2.213 -5.947 14 H GLU 3 H GLU 3 6.882 -0.580 -4.302 15 HA GLU 3 HA GLU 3 7.819 -1.809 -6.811 16 HB2 GLU 3 1HB GLU 3 9.914 -0.495 -6.443 17 HB3 GLU 3 2HB GLU 3 8.489 0.491 -6.735 18 HG2 GLU 3 1HG GLU 3 9.273 -0.113 -3.929 19 HG3 GLU 3 2HG GLU 3 10.183 1.094 -4.837 20 H THR 4 H THR 4 7.227 -3.672 -5.095 21 HA THR 4 HA THR 4 9.655 -4.983 -4.545 22 HB THR 4 HB THR 4 8.825 -5.019 -1.914 23 HG1 THR 4 HG1 THR 4 7.996 -3.136 -1.435 24 HG21 THR 4 3HG2 THR 4 11.138 -4.634 -3.236 25 HG22 THR 4 1HG2 THR 4 10.960 -4.373 -1.501 26 HG23 THR 4 2HG2 THR 4 10.874 -3.006 -2.612 27 H GLY 5 H GLY 5 9.217 -7.084 -4.706 28 HA2 GLY 5 1HA GLY 5 7.607 -8.721 -3.378 29 HA3 GLY 5 2HA GLY 5 6.447 -7.964 -4.460 30 H LYS 6 H LYS 6 8.738 -7.775 -6.484 31 HA LYS 6 HA LYS 6 8.645 -10.589 -7.359 32 HB2 LYS 6 1HB LYS 6 8.798 -8.303 -9.297 33 HB3 LYS 6 2HB LYS 6 8.249 -9.951 -9.572 34 HG2 LYS 6 1HG LYS 6 6.187 -9.142 -9.424 35 HG3 LYS 6 2HG LYS 6 6.477 -9.001 -7.689 36 HD2 LYS 6 1HD LYS 6 7.503 -6.783 -9.335 37 HD3 LYS 6 2HD LYS 6 5.746 -6.938 -9.277 38 HE2 LYS 6 1HE LYS 6 6.550 -7.291 -6.647 39 HE3 LYS 6 2HE LYS 6 7.600 -6.009 -7.249 40 HZ1 LYS 6 3HZ LYS 6 5.160 -5.579 -6.289 41 HZ2 LYS 6 1HZ LYS 6 4.788 -5.766 -7.929 42 HZ3 LYS 6 2HZ LYS 6 5.891 -4.580 -7.442 43 H GLU 7 H GLU 7 10.366 -7.591 -8.253 44 HA GLU 7 HA GLU 7 12.906 -8.549 -7.449 45 HB2 GLU 7 1HB GLU 7 12.010 -9.187 -10.173 46 HB3 GLU 7 2HB GLU 7 13.574 -8.388 -10.100 47 HG2 GLU 7 1HG GLU 7 13.355 -10.503 -8.139 48 HG3 GLU 7 2HG GLU 7 13.073 -11.087 -9.778 49 H LEU 8 H LEU 8 14.668 -7.078 -8.117 50 HA LEU 8 HA LEU 8 13.803 -4.494 -9.159 51 HB2 LEU 8 1HB LEU 8 14.900 -4.972 -6.410 52 HB3 LEU 8 2HB LEU 8 15.113 -3.421 -7.221 53 HG LEU 8 HG LEU 8 12.345 -4.445 -7.078 54 HD11 LEU 8 1HD1 LEU 8 13.206 -5.058 -4.867 55 HD12 LEU 8 2HD1 LEU 8 12.041 -3.737 -4.776 56 HD13 LEU 8 3HD1 LEU 8 13.767 -3.402 -4.632 57 HD21 LEU 8 3HD2 LEU 8 11.801 -2.182 -6.944 58 HD22 LEU 8 1HD2 LEU 8 13.208 -2.212 -8.007 59 HD23 LEU 8 2HD2 LEU 8 13.390 -1.739 -6.318 60 H VAL 9 H VAL 9 15.474 -3.229 -10.006 61 HA VAL 9 HA VAL 9 18.085 -4.587 -10.204 62 HB VAL 9 HB VAL 9 18.341 -3.777 -12.453 63 HG11 VAL 9 1HG1 VAL 9 17.181 -5.485 -13.287 64 HG12 VAL 9 2HG1 VAL 9 16.480 -5.683 -11.679 65 HG13 VAL 9 3HG1 VAL 9 15.641 -4.721 -12.897 66 HG21 VAL 9 3HG2 VAL 9 17.365 -1.848 -12.996 67 HG22 VAL 9 1HG2 VAL 9 15.876 -2.764 -13.228 68 HG23 VAL 9 2HG2 VAL 9 16.201 -1.986 -11.679 69 H LEU 10 H LEU 10 19.937 -3.316 -10.168 70 HA LEU 10 HA LEU 10 19.576 -0.692 -8.946 71 HB2 LEU 10 1HB LEU 10 21.094 -2.463 -7.988 72 HB3 LEU 10 2HB LEU 10 22.150 -2.193 -9.373 73 HG LEU 10 HG LEU 10 21.409 0.102 -7.607 74 HD11 LEU 10 1HD1 LEU 10 23.811 -1.581 -7.022 75 HD12 LEU 10 2HD1 LEU 10 22.255 -1.950 -6.280 76 HD13 LEU 10 3HD1 LEU 10 23.011 -0.380 -6.008 77 HD21 LEU 10 3HD2 LEU 10 23.188 -0.410 -9.803 78 HD22 LEU 10 1HD2 LEU 10 24.098 0.130 -8.392 79 HD23 LEU 10 2HD2 LEU 10 22.782 1.120 -9.024 80 H ALA 11 H ALA 11 20.058 1.187 -9.914 81 HA ALA 11 HA ALA 11 20.820 1.119 -12.720 82 HB1 ALA 11 1HB ALA 11 20.347 3.598 -12.577 83 HB2 ALA 11 2HB ALA 11 18.979 2.528 -12.269 84 HB3 ALA 11 3HB ALA 11 19.810 3.307 -10.922 85 H LEU 12 H LEU 12 22.845 1.371 -13.375 86 HA LEU 12 HA LEU 12 24.837 2.403 -11.506 87 HB2 LEU 12 1HB LEU 12 25.366 1.264 -14.233 88 HB3 LEU 12 2HB LEU 12 26.477 1.400 -12.871 89 HG LEU 12 HG LEU 12 24.065 -0.394 -12.792 90 HD11 LEU 12 1HD1 LEU 12 25.596 -2.237 -13.391 91 HD12 LEU 12 2HD1 LEU 12 26.840 -1.047 -13.772 92 HD13 LEU 12 3HD1 LEU 12 25.348 -1.093 -14.710 93 HD21 LEU 12 3HD2 LEU 12 25.294 -1.510 -11.037 94 HD22 LEU 12 1HD2 LEU 12 25.169 0.210 -10.668 95 HD23 LEU 12 2HD2 LEU 12 26.681 -0.450 -11.291 96 H TYR 13 H TYR 13 23.463 3.070 -14.679 97 HA TYR 13 HA TYR 13 24.748 5.716 -14.595 98 HB2 TYR 13 1HB TYR 13 24.347 4.032 -17.076 99 HB3 TYR 13 2HB TYR 13 25.048 5.645 -17.022 100 HD1 TYR 13 HD2 TYR 13 25.584 2.112 -16.108 101 HD2 TYR 13 HD1 TYR 13 27.329 5.981 -16.406 102 HE1 TYR 13 HE2 TYR 13 27.813 1.125 -15.782 103 HE2 TYR 13 HE1 TYR 13 29.563 5.005 -16.082 104 HH TYR 13 HH TYR 13 30.057 1.534 -15.996 105 H ASP 14 H ASP 14 23.456 7.417 -15.024 106 HA ASP 14 HA ASP 14 20.703 7.239 -14.834 107 HB2 ASP 14 1HB ASP 14 22.062 9.307 -14.487 108 HB3 ASP 14 2HB ASP 14 22.227 9.444 -16.236 109 H TYR 15 H TYR 15 19.078 7.937 -16.474 110 HA TYR 15 HA TYR 15 19.745 7.295 -19.234 111 HB2 TYR 15 1HB TYR 15 19.014 5.179 -17.923 112 HB3 TYR 15 2HB TYR 15 17.402 5.884 -17.987 113 HD1 TYR 15 HD2 TYR 15 20.247 5.295 -20.350 114 HD2 TYR 15 HD1 TYR 15 16.050 5.110 -19.678 115 HE1 TYR 15 HE2 TYR 15 19.933 4.358 -22.602 116 HE2 TYR 15 HE1 TYR 15 15.724 4.171 -21.928 117 HH TYR 15 HH TYR 15 18.358 3.954 -24.225 118 H GLN 16 H GLN 16 18.086 7.915 -20.746 119 HA GLN 16 HA GLN 16 16.048 9.723 -19.641 120 HB2 GLN 16 1HB GLN 16 18.340 10.568 -20.981 121 HB3 GLN 16 2HB GLN 16 17.077 10.629 -22.203 122 HG2 GLN 16 1HG GLN 16 17.183 12.760 -21.170 123 HG3 GLN 16 2HG GLN 16 15.706 11.973 -20.616 124 HE21 GLN 16 2HE2 GLN 16 19.103 11.769 -19.613 125 HE22 GLN 16 1HE2 GLN 16 18.813 12.137 -17.950 126 H GLU 17 H GLU 17 14.211 8.683 -20.114 127 HA GLU 17 HA GLU 17 13.758 6.878 -22.160 128 HB2 GLU 17 1HB GLU 17 11.306 7.525 -21.858 129 HB3 GLU 17 2HB GLU 17 12.161 6.948 -20.434 130 HG2 GLU 17 1HG GLU 17 12.294 9.088 -19.503 131 HG3 GLU 17 2HG GLU 17 11.906 9.872 -21.033 132 H LYS 18 H LYS 18 12.781 7.010 -24.194 133 HA LYS 18 HA LYS 18 12.758 9.698 -25.403 134 HB2 LYS 18 1HB LYS 18 13.556 8.684 -27.496 135 HB3 LYS 18 2HB LYS 18 14.705 8.455 -26.185 136 HG2 LYS 18 1HG LYS 18 12.763 6.280 -26.526 137 HG3 LYS 18 2HG LYS 18 13.887 6.506 -27.868 138 HD2 LYS 18 1HD LYS 18 15.562 6.696 -25.736 139 HD3 LYS 18 2HD LYS 18 14.372 5.540 -25.135 140 HE2 LYS 18 1HE LYS 18 14.788 4.044 -26.917 141 HE3 LYS 18 2HE LYS 18 15.686 5.258 -27.825 142 HZ1 LYS 18 3HZ LYS 18 16.609 3.452 -25.817 143 HZ2 LYS 18 1HZ LYS 18 17.020 5.052 -25.449 144 HZ3 LYS 18 2HZ LYS 18 17.497 4.374 -26.924 145 H SER 19 H SER 19 10.929 7.081 -24.561 146 HA SER 19 HA SER 19 8.835 7.842 -26.464 147 HB2 SER 19 1HB SER 19 10.131 5.210 -26.247 148 HB3 SER 19 2HB SER 19 8.369 5.155 -26.204 149 HG SER 19 HG SER 19 8.274 5.994 -28.200 150 HA PRO 20 HA PRO 20 6.108 7.758 -23.030 151 HB2 PRO 20 1HB PRO 20 3.822 6.776 -24.117 152 HB3 PRO 20 2HB PRO 20 4.431 8.398 -24.465 153 HG2 PRO 20 1HG PRO 20 4.682 5.893 -26.085 154 HG3 PRO 20 2HG PRO 20 4.307 7.541 -26.623 155 HD2 PRO 20 1HD PRO 20 6.777 6.459 -26.859 156 HD3 PRO 20 2HD PRO 20 6.517 8.193 -26.582 157 H ARG 21 H ARG 21 6.855 4.823 -24.671 158 HA ARG 21 HA ARG 21 5.658 3.220 -22.519 159 HB2 ARG 21 1HB ARG 21 5.202 2.731 -24.998 160 HB3 ARG 21 2HB ARG 21 6.855 2.137 -25.060 161 HG2 ARG 21 1HG ARG 21 5.726 0.196 -24.660 162 HG3 ARG 21 2HG ARG 21 6.083 0.701 -23.007 163 HD2 ARG 21 1HD ARG 21 3.776 -0.005 -23.168 164 HD3 ARG 21 2HD ARG 21 3.850 1.730 -22.867 165 HE ARG 21 HE ARG 21 2.856 2.088 -24.896 166 HH11 ARG 21 1HH1 ARG 21 4.053 -1.179 -24.774 167 HH12 ARG 21 2HH1 ARG 21 3.303 -1.648 -26.264 168 HH21 ARG 21 1HH2 ARG 21 1.863 1.483 -26.859 169 HH22 ARG 21 2HH2 ARG 21 2.058 -0.133 -27.449 170 H GLU 22 H GLU 22 8.129 4.792 -22.259 171 HA GLU 22 HA GLU 22 9.967 2.577 -21.631 172 HB2 GLU 22 1HB GLU 22 10.480 4.465 -23.519 173 HB3 GLU 22 2HB GLU 22 11.173 5.229 -22.095 174 HG2 GLU 22 1HG GLU 22 12.834 3.700 -21.906 175 HG3 GLU 22 2HG GLU 22 11.859 2.391 -22.572 176 H VAL 23 H VAL 23 11.849 3.820 -20.178 177 HA VAL 23 HA VAL 23 10.499 5.361 -18.088 178 HB VAL 23 HB VAL 23 11.719 3.894 -16.373 179 HG11 VAL 23 1HG1 VAL 23 9.449 3.715 -16.200 180 HG12 VAL 23 2HG1 VAL 23 9.246 3.233 -17.885 181 HG13 VAL 23 3HG1 VAL 23 9.837 2.069 -16.699 182 HG21 VAL 23 3HG2 VAL 23 13.034 2.715 -18.201 183 HG22 VAL 23 1HG2 VAL 23 12.311 1.690 -16.961 184 HG23 VAL 23 2HG2 VAL 23 11.553 1.822 -18.548 185 H THR 24 H THR 24 12.249 5.878 -16.306 186 HA THR 24 HA THR 24 14.885 6.324 -17.474 187 HB THR 24 HB THR 24 12.896 8.423 -17.150 188 HG1 THR 24 HG1 THR 24 15.372 8.022 -18.435 189 HG21 THR 24 3HG2 THR 24 13.980 8.875 -15.046 190 HG22 THR 24 1HG2 THR 24 14.491 10.092 -16.214 191 HG23 THR 24 2HG2 THR 24 15.572 8.763 -15.795 192 H MET 25 H MET 25 16.521 6.479 -15.981 193 HA MET 25 HA MET 25 15.806 6.589 -13.145 194 HB2 MET 25 1HB MET 25 17.187 4.662 -12.611 195 HB3 MET 25 2HB MET 25 15.932 4.202 -13.753 196 HG2 MET 25 1HG MET 25 18.602 4.993 -14.797 197 HG3 MET 25 2HG MET 25 18.407 3.406 -14.057 198 HE1 MET 25 3HE MET 25 18.858 3.194 -17.758 199 HE2 MET 25 1HE MET 25 19.462 2.856 -16.135 200 HE3 MET 25 2HE MET 25 18.394 1.703 -16.936 201 H LYS 26 H LYS 26 17.924 6.615 -11.796 202 HA LYS 26 HA LYS 26 20.000 8.146 -13.205 203 HB2 LYS 26 1HB LYS 26 18.399 9.639 -11.948 204 HB3 LYS 26 2HB LYS 26 18.955 8.871 -10.466 205 HG2 LYS 26 1HG LYS 26 21.147 9.728 -10.738 206 HG3 LYS 26 2HG LYS 26 20.804 10.259 -12.386 207 HD2 LYS 26 1HD LYS 26 19.147 11.327 -10.148 208 HD3 LYS 26 2HD LYS 26 20.776 11.963 -10.384 209 HE2 LYS 26 1HE LYS 26 20.244 12.602 -12.648 210 HE3 LYS 26 2HE LYS 26 18.658 11.842 -12.527 211 HZ1 LYS 26 3HZ LYS 26 19.315 13.898 -10.560 212 HZ2 LYS 26 1HZ LYS 26 17.835 13.539 -11.296 213 HZ3 LYS 26 2HZ LYS 26 19.010 14.413 -12.142 214 H LYS 27 H LYS 27 22.062 8.230 -12.046 215 HA LYS 27 HA LYS 27 23.014 5.753 -11.300 216 HB2 LYS 27 1HB LYS 27 24.006 8.537 -10.761 217 HB3 LYS 27 2HB LYS 27 24.872 7.139 -10.137 218 HG2 LYS 27 1HG LYS 27 25.966 7.159 -12.073 219 HG3 LYS 27 2HG LYS 27 24.494 6.480 -12.771 220 HD2 LYS 27 1HD LYS 27 25.164 8.366 -14.096 221 HD3 LYS 27 2HD LYS 27 23.704 8.802 -13.204 222 HE2 LYS 27 1HE LYS 27 24.908 10.136 -11.685 223 HE3 LYS 27 2HE LYS 27 26.453 9.440 -12.171 224 HZ1 LYS 27 3HZ LYS 27 26.633 10.844 -13.886 225 HZ2 LYS 27 1HZ LYS 27 25.485 11.778 -13.065 226 HZ3 LYS 27 2HZ LYS 27 24.998 10.734 -14.303 227 H GLY 28 H GLY 28 22.311 4.527 -9.674 228 HA2 GLY 28 1HA GLY 28 22.396 4.006 -7.346 229 HA3 GLY 28 2HA GLY 28 22.228 5.719 -6.989 230 H ASP 29 H ASP 29 20.148 4.605 -9.436 231 HA ASP 29 HA ASP 29 17.889 4.757 -7.575 232 HB2 ASP 29 1HB ASP 29 18.155 6.123 -9.813 233 HB3 ASP 29 2HB ASP 29 17.545 4.642 -10.544 234 H ILE 30 H ILE 30 16.253 3.190 -7.549 235 HA ILE 30 HA ILE 30 17.054 0.585 -8.671 236 HB ILE 30 HB ILE 30 15.352 1.051 -6.221 237 HG12 ILE 30 1HG1 ILE 30 18.229 0.128 -6.348 238 HG13 ILE 30 2HG1 ILE 30 17.742 1.776 -5.967 239 HG21 ILE 30 1HG2 ILE 30 16.684 -1.492 -7.119 240 HG22 ILE 30 2HG2 ILE 30 15.464 -1.284 -5.863 241 HG23 ILE 30 3HG2 ILE 30 15.029 -1.067 -7.558 242 HD11 ILE 30 3HD1 ILE 30 17.963 0.981 -3.865 243 HD12 ILE 30 1HD1 ILE 30 16.289 0.503 -4.146 244 HD13 ILE 30 2HD1 ILE 30 17.587 -0.678 -4.331 245 H LEU 31 H LEU 31 15.660 -0.481 -9.948 246 HA LEU 31 HA LEU 31 12.918 0.573 -10.174 247 HB2 LEU 31 1HB LEU 31 14.721 -0.431 -12.370 248 HB3 LEU 31 2HB LEU 31 13.015 -0.043 -12.575 249 HG LEU 31 HG LEU 31 14.170 1.808 -13.426 250 HD11 LEU 31 1HD1 LEU 31 13.800 2.890 -10.692 251 HD12 LEU 31 2HD1 LEU 31 12.406 2.141 -11.470 252 HD13 LEU 31 3HD1 LEU 31 13.223 3.500 -12.243 253 HD21 LEU 31 3HD2 LEU 31 15.780 2.666 -11.218 254 HD22 LEU 31 1HD2 LEU 31 16.263 2.287 -12.871 255 HD23 LEU 31 2HD2 LEU 31 16.203 1.010 -11.656 256 H THR 32 H THR 32 11.317 -0.868 -10.000 257 HA THR 32 HA THR 32 11.858 -3.538 -9.223 258 HB THR 32 HB THR 32 9.223 -2.324 -10.078 259 HG1 THR 32 HG1 THR 32 10.244 -1.289 -8.260 260 HG21 THR 32 3HG2 THR 32 9.889 -4.998 -9.542 261 HG22 THR 32 1HG2 THR 32 8.275 -4.302 -9.681 262 HG23 THR 32 2HG2 THR 32 9.056 -4.410 -8.103 263 H LEU 33 H LEU 33 12.525 -5.087 -10.552 264 HA LEU 33 HA LEU 33 12.118 -4.989 -13.377 265 HB2 LEU 33 1HB LEU 33 14.126 -5.966 -12.441 266 HB3 LEU 33 2HB LEU 33 13.169 -7.179 -11.593 267 HG LEU 33 HG LEU 33 14.432 -7.830 -13.758 268 HD11 LEU 33 1HD1 LEU 33 12.951 -9.584 -14.085 269 HD12 LEU 33 2HD1 LEU 33 11.537 -8.587 -13.744 270 HD13 LEU 33 3HD1 LEU 33 12.605 -9.079 -12.430 271 HD21 LEU 33 3HD2 LEU 33 13.208 -5.780 -14.891 272 HD22 LEU 33 1HD2 LEU 33 11.949 -6.986 -15.155 273 HD23 LEU 33 2HD2 LEU 33 13.572 -7.253 -15.792 274 H LEU 34 H LEU 34 10.349 -5.580 -14.425 275 HA LEU 34 HA LEU 34 8.400 -7.306 -13.099 276 HB2 LEU 34 1HB LEU 34 8.317 -5.286 -15.258 277 HB3 LEU 34 2HB LEU 34 7.178 -6.624 -15.383 278 HG LEU 34 HG LEU 34 6.128 -4.711 -14.334 279 HD11 LEU 34 1HD1 LEU 34 6.570 -6.600 -12.068 280 HD12 LEU 34 2HD1 LEU 34 5.802 -7.177 -13.547 281 HD13 LEU 34 3HD1 LEU 34 5.077 -5.852 -12.637 282 HD21 LEU 34 3HD2 LEU 34 6.951 -4.059 -12.020 283 HD22 LEU 34 1HD2 LEU 34 7.914 -3.506 -13.391 284 HD23 LEU 34 2HD2 LEU 34 8.452 -4.888 -12.436 285 H ASN 35 H ASN 35 10.255 -7.093 -16.110 286 HA ASN 35 HA ASN 35 10.049 -9.993 -16.384 287 HB2 ASN 35 1HB ASN 35 8.734 -8.062 -18.124 288 HB3 ASN 35 2HB ASN 35 9.831 -9.115 -19.013 289 HD21 ASN 35 2HD2 ASN 35 9.554 -11.429 -18.738 290 HD22 ASN 35 1HD2 ASN 35 7.970 -12.056 -18.450 291 H SER 36 H SER 36 11.939 -10.883 -16.925 292 HA SER 36 HA SER 36 13.997 -9.155 -18.135 293 HB2 SER 36 1HB SER 36 15.682 -10.104 -16.734 294 HB3 SER 36 2HB SER 36 14.350 -9.650 -15.670 295 HG SER 36 HG SER 36 15.242 -11.793 -15.314 296 H THR 37 H THR 37 12.263 -10.795 -19.603 297 HA THR 37 HA THR 37 13.338 -13.347 -20.168 298 HB THR 37 HB THR 37 11.053 -12.793 -20.797 299 HG1 THR 37 HG1 THR 37 11.121 -13.808 -22.763 300 HG21 THR 37 3HG2 THR 37 11.715 -10.381 -21.429 301 HG22 THR 37 1HG2 THR 37 10.452 -11.174 -22.369 302 HG23 THR 37 2HG2 THR 37 12.089 -11.057 -23.014 303 H ASN 38 H ASN 38 14.095 -10.138 -21.306 304 HA ASN 38 HA ASN 38 15.855 -11.192 -23.387 305 HB2 ASN 38 1HB ASN 38 14.236 -9.058 -23.471 306 HB3 ASN 38 2HB ASN 38 15.687 -8.271 -22.856 307 HD21 ASN 38 2HD2 ASN 38 14.991 -10.796 -25.255 308 HD22 ASN 38 1HD2 ASN 38 15.919 -10.080 -26.525 309 H LYS 39 H LYS 39 18.000 -9.885 -23.576 310 HA LYS 39 HA LYS 39 19.249 -9.827 -20.907 311 HB2 LYS 39 1HB LYS 39 21.337 -10.528 -21.993 312 HB3 LYS 39 2HB LYS 39 20.053 -11.703 -22.244 313 HG2 LYS 39 1HG LYS 39 19.710 -10.926 -24.494 314 HG3 LYS 39 2HG LYS 39 20.872 -9.618 -24.255 315 HD2 LYS 39 1HD LYS 39 22.119 -11.221 -25.384 316 HD3 LYS 39 2HD LYS 39 22.537 -11.516 -23.695 317 HE2 LYS 39 1HE LYS 39 20.806 -13.295 -23.636 318 HE3 LYS 39 2HE LYS 39 20.538 -13.042 -25.360 319 HZ1 LYS 39 3HZ LYS 39 22.776 -14.321 -23.995 320 HZ2 LYS 39 1HZ LYS 39 23.144 -13.415 -25.376 321 HZ3 LYS 39 2HZ LYS 39 22.050 -14.701 -25.475 322 H ASP 40 H ASP 40 18.802 -8.200 -23.936 323 HA ASP 40 HA ASP 40 20.852 -6.231 -23.498 324 HB2 ASP 40 1HB ASP 40 18.546 -6.295 -25.456 325 HB3 ASP 40 2HB ASP 40 19.840 -5.100 -25.463 326 H TRP 41 H TRP 41 17.288 -6.146 -23.490 327 HA TRP 41 HA TRP 41 17.450 -3.872 -21.625 328 HB2 TRP 41 1HB TRP 41 15.328 -4.230 -23.749 329 HB3 TRP 41 2HB TRP 41 15.532 -2.850 -22.674 330 HD1 TRP 41 HD1 TRP 41 17.249 -4.541 -25.687 331 HE1 TRP 41 HE1 TRP 41 18.656 -2.766 -26.910 332 HE3 TRP 41 HE3 TRP 41 16.644 -0.643 -22.434 333 HZ2 TRP 41 HZ2 TRP 41 19.410 -0.071 -26.544 334 HZ3 TRP 41 HZ3 TRP 41 17.742 1.499 -22.944 335 HH2 TRP 41 HH2 TRP 41 19.096 1.777 -24.956 336 H TRP 42 H TRP 42 16.087 -3.899 -19.893 337 HA TRP 42 HA TRP 42 14.371 -6.281 -19.623 338 HB2 TRP 42 1HB TRP 42 15.795 -4.743 -17.440 339 HB3 TRP 42 2HB TRP 42 14.772 -6.157 -17.204 340 HD1 TRP 42 HD1 TRP 42 16.062 -7.778 -19.760 341 HE1 TRP 42 HE1 TRP 42 18.371 -8.864 -19.426 342 HE3 TRP 42 HE3 TRP 42 17.677 -5.037 -15.757 343 HZ2 TRP 42 HZ2 TRP 42 20.584 -8.595 -17.694 344 HZ3 TRP 42 HZ3 TRP 42 19.902 -5.515 -14.822 345 HH2 TRP 42 HH2 TRP 42 21.324 -7.258 -15.771 346 H LYS 43 H LYS 43 12.379 -6.053 -18.521 347 HA LYS 43 HA LYS 43 11.217 -3.394 -18.818 348 HB2 LYS 43 1HB LYS 43 10.039 -5.303 -19.813 349 HB3 LYS 43 2HB LYS 43 9.917 -6.061 -18.230 350 HG2 LYS 43 1HG LYS 43 7.840 -5.126 -18.432 351 HG3 LYS 43 2HG LYS 43 8.702 -3.840 -17.585 352 HD2 LYS 43 1HD LYS 43 8.006 -2.485 -19.219 353 HD3 LYS 43 2HD LYS 43 9.185 -3.298 -20.251 354 HE2 LYS 43 1HE LYS 43 7.585 -4.651 -21.232 355 HE3 LYS 43 2HE LYS 43 6.465 -4.480 -19.881 356 HZ1 LYS 43 3HZ LYS 43 6.305 -3.138 -22.222 357 HZ2 LYS 43 1HZ LYS 43 7.048 -2.000 -21.215 358 HZ3 LYS 43 2HZ LYS 43 5.557 -2.668 -20.779 359 H VAL 44 H VAL 44 10.991 -2.071 -17.149 360 HA VAL 44 HA VAL 44 10.590 -3.209 -14.469 361 HB VAL 44 HB VAL 44 12.083 -1.594 -13.463 362 HG11 VAL 44 1HG1 VAL 44 13.746 -3.040 -13.730 363 HG12 VAL 44 2HG1 VAL 44 12.889 -3.731 -15.109 364 HG13 VAL 44 3HG1 VAL 44 14.058 -2.433 -15.356 365 HG21 VAL 44 3HG2 VAL 44 12.317 -0.567 -16.266 366 HG22 VAL 44 1HG2 VAL 44 11.996 0.319 -14.775 367 HG23 VAL 44 2HG2 VAL 44 13.614 -0.302 -15.102 368 H GLU 45 H GLU 45 9.537 -1.787 -12.966 369 HA GLU 45 HA GLU 45 7.905 0.260 -14.314 370 HB2 GLU 45 1HB GLU 45 6.602 -1.632 -13.473 371 HB3 GLU 45 2HB GLU 45 7.273 -1.395 -11.865 372 HG2 GLU 45 1HG GLU 45 6.206 0.813 -11.762 373 HG3 GLU 45 2HG GLU 45 5.500 0.530 -13.352 374 H VAL 46 H VAL 46 8.201 2.303 -13.735 375 HA VAL 46 HA VAL 46 9.756 2.872 -11.317 376 HB VAL 46 HB VAL 46 10.091 5.111 -12.255 377 HG11 VAL 46 1HG1 VAL 46 11.231 2.762 -13.115 378 HG12 VAL 46 2HG1 VAL 46 10.807 3.573 -14.624 379 HG13 VAL 46 3HG1 VAL 46 11.838 4.384 -13.444 380 HG21 VAL 46 3HG2 VAL 46 8.392 4.084 -14.525 381 HG22 VAL 46 1HG2 VAL 46 8.028 5.427 -13.441 382 HG23 VAL 46 2HG2 VAL 46 9.358 5.558 -14.592 383 H LYS 47 H LYS 47 9.155 4.977 -10.198 384 HA LYS 47 HA LYS 47 6.224 5.125 -9.919 385 HB2 LYS 47 1HB LYS 47 6.559 5.678 -7.568 386 HB3 LYS 47 2HB LYS 47 7.321 4.140 -7.951 387 HG2 LYS 47 1HG LYS 47 9.473 5.494 -8.243 388 HG3 LYS 47 2HG LYS 47 8.611 6.788 -7.408 389 HD2 LYS 47 1HD LYS 47 9.002 3.996 -6.331 390 HD3 LYS 47 2HD LYS 47 9.982 5.396 -5.888 391 HE2 LYS 47 1HE LYS 47 7.838 6.513 -5.166 392 HE3 LYS 47 2HE LYS 47 7.049 4.951 -5.373 393 HZ1 LYS 47 3HZ LYS 47 8.243 4.027 -3.634 394 HZ2 LYS 47 1HZ LYS 47 7.912 5.585 -3.064 395 HZ3 LYS 47 2HZ LYS 47 9.445 5.215 -3.673 396 H ALA 48 H ALA 48 5.257 7.109 -9.862 397 HA ALA 48 HA ALA 48 6.970 9.489 -9.949 398 HB1 ALA 48 1HB ALA 48 5.705 8.404 -12.204 399 HB2 ALA 48 2HB ALA 48 4.767 9.828 -11.754 400 HB3 ALA 48 3HB ALA 48 6.498 9.973 -12.062 401 H THR 49 H THR 49 5.687 11.521 -9.693 402 HA THR 49 HA THR 49 3.139 11.163 -8.304 403 HB THR 49 HB THR 49 5.364 12.784 -7.064 404 HG1 THR 49 HG1 THR 49 6.075 10.932 -6.342 405 HG21 THR 49 3HG2 THR 49 3.242 13.593 -6.370 406 HG22 THR 49 1HG2 THR 49 3.838 12.581 -5.056 407 HG23 THR 49 2HG2 THR 49 2.610 11.961 -6.160 408 H ALA 50 H ALA 50 1.796 12.444 -9.386 409 HA ALA 50 HA ALA 50 2.567 15.232 -9.835 410 HB1 ALA 50 1HB ALA 50 3.064 14.205 -11.943 411 HB2 ALA 50 2HB ALA 50 1.495 13.401 -11.975 412 HB3 ALA 50 3HB ALA 50 1.589 15.156 -12.120 413 H ASN 51 H ASN 51 0.799 16.681 -10.024 414 HA ASN 51 HA ASN 51 -1.211 17.517 -9.361 415 HB2 ASN 51 1HB ASN 51 -2.499 14.926 -10.161 416 HB3 ASN 51 2HB ASN 51 -3.100 16.570 -10.357 417 HD21 ASN 51 2HD2 ASN 51 -1.249 14.033 -11.715 418 HD22 ASN 51 1HD2 ASN 51 -0.860 14.813 -13.207 419 H GLY 52 H GLY 52 0.361 15.904 -7.448 420 HA2 GLY 52 1HA GLY 52 0.114 15.352 -5.225 421 HA3 GLY 52 2HA GLY 52 -1.573 15.827 -5.350 422 H LYS 53 H LYS 53 -0.241 13.438 -7.495 423 HA LYS 53 HA LYS 53 -1.416 11.275 -5.901 424 HB2 LYS 53 1HB LYS 53 -1.996 11.781 -8.825 425 HB3 LYS 53 2HB LYS 53 -2.477 10.340 -7.939 426 HG2 LYS 53 1HG LYS 53 -3.315 12.989 -6.886 427 HG3 LYS 53 2HG LYS 53 -4.135 12.346 -8.310 428 HD2 LYS 53 1HD LYS 53 -4.739 10.341 -7.108 429 HD3 LYS 53 2HD LYS 53 -3.806 10.862 -5.703 430 HE2 LYS 53 1HE LYS 53 -5.296 12.724 -5.350 431 HE3 LYS 53 2HE LYS 53 -6.169 12.354 -6.835 432 HZ1 LYS 53 3HZ LYS 53 -6.126 10.070 -5.194 433 HZ2 LYS 53 1HZ LYS 53 -7.460 10.972 -5.714 434 HZ3 LYS 53 2HZ LYS 53 -6.669 11.383 -4.277 435 H THR 54 H THR 54 -0.295 9.401 -5.957 436 HA THR 54 HA THR 54 2.197 9.398 -7.482 437 HB THR 54 HB THR 54 2.507 7.211 -6.043 438 HG1 THR 54 HG1 THR 54 1.045 6.940 -4.542 439 HG21 THR 54 3HG2 THR 54 2.902 9.110 -4.062 440 HG22 THR 54 1HG2 THR 54 3.015 10.030 -5.563 441 HG23 THR 54 2HG2 THR 54 4.063 8.636 -5.302 442 H TYR 55 H TYR 55 2.423 8.260 -9.286 443 HA TYR 55 HA TYR 55 0.806 5.844 -9.672 444 HB2 TYR 55 1HB TYR 55 0.140 6.460 -11.873 445 HB3 TYR 55 2HB TYR 55 -0.235 7.835 -10.840 446 HD1 TYR 55 HD1 TYR 55 1.126 9.885 -10.960 447 HD2 TYR 55 HD2 TYR 55 1.792 6.621 -13.607 448 HE1 TYR 55 HE1 TYR 55 2.432 11.356 -12.436 449 HE2 TYR 55 HE2 TYR 55 3.101 8.082 -15.089 450 HH TYR 55 HH TYR 55 3.846 10.137 -15.460 451 H GLU 56 H GLU 56 1.797 4.213 -10.800 452 HA GLU 56 HA GLU 56 4.619 4.681 -11.498 453 HB2 GLU 56 1HB GLU 56 3.209 2.188 -10.545 454 HB3 GLU 56 2HB GLU 56 4.851 2.189 -11.171 455 HG2 GLU 56 1HG GLU 56 5.705 3.233 -9.334 456 HG3 GLU 56 2HG GLU 56 4.194 4.062 -8.965 457 H ARG 57 H ARG 57 5.466 3.776 -13.391 458 HA ARG 57 HA ARG 57 3.499 2.726 -15.309 459 HB2 ARG 57 1HB ARG 57 4.792 4.033 -17.078 460 HB3 ARG 57 2HB ARG 57 3.743 4.961 -16.014 461 HG2 ARG 57 1HG ARG 57 5.596 5.751 -14.746 462 HG3 ARG 57 2HG ARG 57 6.699 4.644 -15.565 463 HD2 ARG 57 1HD ARG 57 5.889 5.886 -17.714 464 HD3 ARG 57 2HD ARG 57 5.422 7.148 -16.575 465 HE ARG 57 HE ARG 57 8.095 6.409 -17.353 466 HH11 ARG 57 1HH1 ARG 57 6.121 7.947 -14.932 467 HH12 ARG 57 2HH1 ARG 57 7.413 8.919 -14.310 468 HH21 ARG 57 1HH2 ARG 57 9.803 7.684 -16.543 469 HH22 ARG 57 2HH2 ARG 57 9.507 8.770 -15.227 470 H GLN 58 H GLN 58 4.301 1.282 -16.861 471 HA GLN 58 HA GLN 58 6.788 -0.025 -16.066 472 HB2 GLN 58 1HB GLN 58 4.467 -0.877 -17.787 473 HB3 GLN 58 2HB GLN 58 5.963 -1.799 -17.713 474 HG2 GLN 58 1HG GLN 58 5.670 -2.210 -15.376 475 HG3 GLN 58 2HG GLN 58 4.283 -1.123 -15.312 476 HE21 GLN 58 2HE2 GLN 58 5.442 -4.081 -16.863 477 HE22 GLN 58 1HE2 GLN 58 3.897 -4.850 -16.952 478 H GLY 59 H GLY 59 8.561 -0.207 -17.351 479 HA2 GLY 59 1HA GLY 59 8.435 0.596 -20.143 480 HA3 GLY 59 2HA GLY 59 9.381 1.644 -19.096 481 H PHE 60 H PHE 60 10.960 0.849 -20.852 482 HA PHE 60 HA PHE 60 12.243 -1.633 -19.914 483 HB2 PHE 60 1HB PHE 60 12.382 -0.370 -22.660 484 HB3 PHE 60 2HB PHE 60 13.210 -1.844 -22.168 485 HD1 PHE 60 HD2 PHE 60 11.969 -3.905 -21.800 486 HD2 PHE 60 HD1 PHE 60 10.028 -0.356 -23.123 487 HE1 PHE 60 HE2 PHE 60 10.004 -5.230 -22.459 488 HE2 PHE 60 HE1 PHE 60 8.059 -1.675 -23.783 489 HZ PHE 60 HZ PHE 60 8.045 -4.116 -23.453 490 H VAL 61 H VAL 61 14.499 -1.669 -19.696 491 HA VAL 61 HA VAL 61 15.887 0.909 -19.893 492 HB VAL 61 HB VAL 61 17.008 0.439 -17.704 493 HG11 VAL 61 1HG1 VAL 61 14.984 1.967 -18.093 494 HG12 VAL 61 2HG1 VAL 61 14.047 0.697 -17.302 495 HG13 VAL 61 3HG1 VAL 61 15.358 1.497 -16.435 496 HG21 VAL 61 3HG2 VAL 61 16.186 -1.176 -16.205 497 HG22 VAL 61 1HG2 VAL 61 14.744 -1.465 -17.179 498 HG23 VAL 61 2HG2 VAL 61 16.320 -2.014 -17.751 499 HA PRO 62 HA PRO 62 19.195 -1.415 -21.608 500 HB2 PRO 62 1HB PRO 62 21.329 0.071 -20.827 501 HB3 PRO 62 2HB PRO 62 20.199 0.597 -22.081 502 HG2 PRO 62 1HG PRO 62 20.314 1.368 -19.191 503 HG3 PRO 62 2HG PRO 62 20.039 2.392 -20.612 504 HD2 PRO 62 1HD PRO 62 18.023 1.538 -19.019 505 HD3 PRO 62 2HD PRO 62 17.815 1.802 -20.762 506 H ALA 63 H ALA 63 19.685 -3.361 -20.800 507 HA ALA 63 HA ALA 63 20.186 -3.916 -18.085 508 HB1 ALA 63 1HB ALA 63 20.995 -6.129 -18.947 509 HB2 ALA 63 2HB ALA 63 19.377 -5.666 -19.478 510 HB3 ALA 63 3HB ALA 63 20.746 -5.507 -20.579 511 H ALA 64 H ALA 64 22.165 -2.534 -20.453 512 HA ALA 64 HA ALA 64 24.683 -3.509 -19.459 513 HB1 ALA 64 1HB ALA 64 25.642 -1.769 -20.971 514 HB2 ALA 64 2HB ALA 64 24.568 -2.918 -21.771 515 HB3 ALA 64 3HB ALA 64 23.994 -1.296 -21.383 516 H TYR 65 H TYR 65 22.517 -0.957 -18.669 517 HA TYR 65 HA TYR 65 24.582 0.373 -17.051 518 HB2 TYR 65 1HB TYR 65 21.875 1.384 -17.945 519 HB3 TYR 65 2HB TYR 65 23.016 2.285 -16.954 520 HD1 TYR 65 HD1 TYR 65 25.500 1.260 -18.528 521 HD2 TYR 65 HD2 TYR 65 21.811 3.016 -19.716 522 HE1 TYR 65 HE1 TYR 65 26.576 2.133 -20.560 523 HE2 TYR 65 HE2 TYR 65 22.877 3.893 -21.751 524 HH TYR 65 HH TYR 65 25.540 2.837 -23.034 525 H VAL 66 H VAL 66 21.682 -1.479 -16.918 526 HA VAL 66 HA VAL 66 21.563 -1.091 -13.997 527 HB VAL 66 HB VAL 66 19.200 -1.684 -14.070 528 HG11 VAL 66 1HG1 VAL 66 20.119 0.573 -15.820 529 HG12 VAL 66 2HG1 VAL 66 18.407 0.301 -15.491 530 HG13 VAL 66 3HG1 VAL 66 19.520 0.628 -14.162 531 HG21 VAL 66 3HG2 VAL 66 18.510 -2.951 -15.773 532 HG22 VAL 66 1HG2 VAL 66 18.438 -1.463 -16.718 533 HG23 VAL 66 2HG2 VAL 66 19.879 -2.479 -16.780 534 H LYS 67 H LYS 67 21.575 -2.862 -12.696 535 HA LYS 67 HA LYS 67 21.728 -5.493 -14.017 536 HB2 LYS 67 1HB LYS 67 23.944 -4.888 -13.288 537 HB3 LYS 67 2HB LYS 67 23.350 -4.447 -11.693 538 HG2 LYS 67 1HG LYS 67 22.694 -6.825 -11.355 539 HG3 LYS 67 2HG LYS 67 23.488 -7.207 -12.884 540 HD2 LYS 67 1HD LYS 67 24.807 -5.972 -10.466 541 HD3 LYS 67 2HD LYS 67 24.955 -7.655 -10.976 542 HE2 LYS 67 1HE LYS 67 26.839 -6.835 -11.946 543 HE3 LYS 67 2HE LYS 67 25.699 -6.490 -13.247 544 HZ1 LYS 67 3HZ LYS 67 26.325 -4.384 -13.079 545 HZ2 LYS 67 1HZ LYS 67 27.229 -4.683 -11.681 546 HZ3 LYS 67 2HZ LYS 67 25.583 -4.317 -11.561 547 H LYS 68 H LYS 68 20.543 -7.116 -13.161 548 HA LYS 68 HA LYS 68 18.399 -6.544 -11.448 549 HB2 LYS 68 1HB LYS 68 17.846 -8.841 -11.584 550 HB3 LYS 68 2HB LYS 68 18.588 -8.441 -13.128 551 HG2 LYS 68 1HG LYS 68 20.766 -9.270 -11.850 552 HG3 LYS 68 2HG LYS 68 19.560 -10.190 -10.948 553 HD2 LYS 68 1HD LYS 68 19.593 -10.165 -13.950 554 HD3 LYS 68 2HD LYS 68 20.603 -11.279 -13.026 555 HE2 LYS 68 1HE LYS 68 18.509 -12.020 -11.843 556 HE3 LYS 68 2HE LYS 68 17.598 -11.071 -13.016 557 HZ1 LYS 68 3HZ LYS 68 17.650 -13.274 -13.814 558 HZ2 LYS 68 1HZ LYS 68 19.312 -13.432 -13.536 559 HZ3 LYS 68 2HZ LYS 68 18.754 -12.417 -14.768 560 H LEU 69 H LEU 69 17.940 -7.401 -9.329 561 HA LEU 69 HA LEU 69 20.338 -7.926 -7.706 562 HB2 LEU 69 1HB LEU 69 18.005 -6.255 -6.800 563 HB3 LEU 69 2HB LEU 69 19.528 -6.519 -5.955 564 HG LEU 69 HG LEU 69 19.597 -5.197 -8.623 565 HD11 LEU 69 1HD1 LEU 69 18.054 -3.715 -7.902 566 HD12 LEU 69 2HD1 LEU 69 19.436 -3.044 -7.038 567 HD13 LEU 69 3HD1 LEU 69 18.306 -4.109 -6.202 568 HD21 LEU 69 3HD2 LEU 69 21.615 -4.400 -7.923 569 HD22 LEU 69 1HD2 LEU 69 21.543 -5.879 -6.965 570 HD23 LEU 69 2HD2 LEU 69 21.127 -4.332 -6.228 571 H ASP 70 H ASP 70 19.291 -10.122 -8.383 572 HA ASP 70 HA ASP 70 16.932 -11.017 -7.163 573 HB2 ASP 70 1HB ASP 70 18.251 -12.171 -8.997 574 HB3 ASP 70 2HB ASP 70 19.347 -12.736 -7.739 Start of MODEL 13 1 H1 MET 1 H MET 1 4.958 1.959 -5.892 2 HA MET 1 HA MET 1 6.707 3.156 -4.092 3 HB2 MET 1 1HB MET 1 5.185 0.595 -4.147 4 HB3 MET 1 2HB MET 1 6.429 0.786 -2.919 5 HG2 MET 1 1HG MET 1 4.560 1.536 -1.822 6 HG3 MET 1 2HG MET 1 5.248 3.039 -2.433 7 HE1 MET 1 3HE MET 1 2.703 3.624 -1.552 8 HE2 MET 1 1HE MET 1 1.274 3.366 -2.553 9 HE3 MET 1 2HE MET 1 1.943 2.033 -1.612 10 H ASP 2 H ASP 2 8.762 2.743 -3.405 11 HA ASP 2 HA ASP 2 10.423 1.180 -5.204 12 HB2 ASP 2 1HB ASP 2 10.884 3.560 -4.106 13 HB3 ASP 2 2HB ASP 2 11.562 2.562 -2.822 14 H GLU 3 H GLU 3 8.914 -0.618 -4.029 15 HA GLU 3 HA GLU 3 9.884 -1.571 -1.524 16 HB2 GLU 3 1HB GLU 3 7.723 -2.146 -3.219 17 HB3 GLU 3 2HB GLU 3 8.654 -3.635 -3.130 18 HG2 GLU 3 1HG GLU 3 8.224 -3.942 -0.920 19 HG3 GLU 3 2HG GLU 3 8.086 -2.216 -0.592 20 H THR 4 H THR 4 10.290 -4.242 -1.805 21 HA THR 4 HA THR 4 12.085 -5.017 -3.827 22 HB THR 4 HB THR 4 13.704 -3.511 -2.987 23 HG1 THR 4 HG1 THR 4 15.265 -4.956 -2.687 24 HG21 THR 4 3HG2 THR 4 14.316 -3.327 -0.642 25 HG22 THR 4 1HG2 THR 4 13.150 -4.579 -0.216 26 HG23 THR 4 2HG2 THR 4 12.590 -3.027 -0.839 27 H GLY 5 H GLY 5 12.068 -7.172 -3.846 28 HA2 GLY 5 1HA GLY 5 12.533 -8.867 -1.693 29 HA3 GLY 5 2HA GLY 5 10.791 -8.659 -1.795 30 H LYS 6 H LYS 6 10.913 -8.355 -4.741 31 HA LYS 6 HA LYS 6 10.884 -11.193 -5.362 32 HB2 LYS 6 1HB LYS 6 10.265 -9.056 -7.365 33 HB3 LYS 6 2HB LYS 6 9.571 -10.664 -7.203 34 HG2 LYS 6 1HG LYS 6 7.823 -9.666 -6.267 35 HG3 LYS 6 2HG LYS 6 8.849 -9.421 -4.852 36 HD2 LYS 6 1HD LYS 6 9.411 -7.389 -6.782 37 HD3 LYS 6 2HD LYS 6 7.669 -7.464 -6.512 38 HE2 LYS 6 1HE LYS 6 9.230 -7.640 -4.054 39 HE3 LYS 6 2HE LYS 6 9.492 -6.137 -4.938 40 HZ1 LYS 6 3HZ LYS 6 7.689 -5.784 -3.474 41 HZ2 LYS 6 1HZ LYS 6 6.919 -7.217 -3.939 42 HZ3 LYS 6 2HZ LYS 6 7.018 -5.921 -5.021 43 H GLU 7 H GLU 7 12.073 -8.362 -7.178 44 HA GLU 7 HA GLU 7 14.713 -9.399 -7.434 45 HB2 GLU 7 1HB GLU 7 12.726 -10.153 -9.434 46 HB3 GLU 7 2HB GLU 7 14.114 -9.334 -10.136 47 HG2 GLU 7 1HG GLU 7 14.100 -11.850 -8.495 48 HG3 GLU 7 2HG GLU 7 14.552 -11.662 -10.188 49 H LEU 8 H LEU 8 15.326 -7.342 -6.813 50 HA LEU 8 HA LEU 8 14.548 -5.095 -8.518 51 HB2 LEU 8 1HB LEU 8 15.753 -5.353 -5.799 52 HB3 LEU 8 2HB LEU 8 15.980 -3.861 -6.710 53 HG LEU 8 HG LEU 8 14.054 -4.007 -4.999 54 HD11 LEU 8 1HD1 LEU 8 13.592 -2.102 -6.033 55 HD12 LEU 8 2HD1 LEU 8 12.639 -3.004 -7.211 56 HD13 LEU 8 3HD1 LEU 8 14.345 -2.682 -7.519 57 HD21 LEU 8 3HD2 LEU 8 12.733 -5.383 -7.333 58 HD22 LEU 8 1HD2 LEU 8 11.989 -4.930 -5.799 59 HD23 LEU 8 2HD2 LEU 8 13.221 -6.191 -5.842 60 H VAL 9 H VAL 9 16.081 -3.732 -9.503 61 HA VAL 9 HA VAL 9 18.746 -4.946 -9.851 62 HB VAL 9 HB VAL 9 18.802 -4.160 -12.124 63 HG11 VAL 9 1HG1 VAL 9 17.661 -5.922 -12.879 64 HG12 VAL 9 2HG1 VAL 9 17.149 -6.170 -11.209 65 HG13 VAL 9 3HG1 VAL 9 16.122 -5.266 -12.323 66 HG21 VAL 9 3HG2 VAL 9 16.215 -3.301 -12.709 67 HG22 VAL 9 1HG2 VAL 9 16.654 -2.459 -11.223 68 HG23 VAL 9 2HG2 VAL 9 17.675 -2.315 -12.654 69 H LEU 10 H LEU 10 20.519 -3.534 -10.115 70 HA LEU 10 HA LEU 10 20.105 -0.919 -8.866 71 HB2 LEU 10 1HB LEU 10 21.746 -2.117 -7.717 72 HB3 LEU 10 2HB LEU 10 22.478 -2.716 -9.204 73 HG LEU 10 HG LEU 10 23.352 -0.462 -9.661 74 HD11 LEU 10 1HD1 LEU 10 23.124 0.724 -7.107 75 HD12 LEU 10 2HD1 LEU 10 21.501 0.269 -7.624 76 HD13 LEU 10 3HD1 LEU 10 22.492 1.309 -8.646 77 HD21 LEU 10 3HD2 LEU 10 24.042 -1.737 -7.024 78 HD22 LEU 10 1HD2 LEU 10 24.964 -0.403 -7.718 79 HD23 LEU 10 2HD2 LEU 10 24.851 -1.938 -8.579 80 H ALA 11 H ALA 11 20.722 0.989 -9.809 81 HA ALA 11 HA ALA 11 21.164 0.882 -12.698 82 HB1 ALA 11 1HB ALA 11 19.914 2.784 -10.844 83 HB2 ALA 11 2HB ALA 11 20.856 3.519 -12.143 84 HB3 ALA 11 3HB ALA 11 19.534 2.417 -12.527 85 H LEU 12 H LEU 12 23.122 1.163 -13.524 86 HA LEU 12 HA LEU 12 25.294 2.080 -11.838 87 HB2 LEU 12 1HB LEU 12 25.396 1.251 -14.730 88 HB3 LEU 12 2HB LEU 12 26.749 1.377 -13.607 89 HG LEU 12 HG LEU 12 24.506 -0.599 -13.249 90 HD11 LEU 12 1HD1 LEU 12 26.134 -0.661 -15.400 91 HD12 LEU 12 2HD1 LEU 12 25.479 -2.097 -14.615 92 HD13 LEU 12 3HD1 LEU 12 27.111 -1.550 -14.232 93 HD21 LEU 12 3HD2 LEU 12 25.588 -0.469 -11.226 94 HD22 LEU 12 1HD2 LEU 12 27.143 -0.075 -11.958 95 HD23 LEU 12 2HD2 LEU 12 26.529 -1.727 -12.028 96 H TYR 13 H TYR 13 23.814 3.028 -14.930 97 HA TYR 13 HA TYR 13 24.967 5.714 -14.545 98 HB2 TYR 13 1HB TYR 13 24.374 4.373 -17.191 99 HB3 TYR 13 2HB TYR 13 25.118 5.951 -16.958 100 HD1 TYR 13 HD2 TYR 13 25.626 2.314 -16.555 101 HD2 TYR 13 HD1 TYR 13 27.446 6.160 -16.517 102 HE1 TYR 13 HE2 TYR 13 27.847 1.257 -16.537 103 HE2 TYR 13 HE1 TYR 13 29.672 5.114 -16.500 104 HH TYR 13 HH TYR 13 30.074 1.659 -16.116 105 H ASP 14 H ASP 14 23.678 7.488 -15.042 106 HA ASP 14 HA ASP 14 20.912 7.190 -14.559 107 HB2 ASP 14 1HB ASP 14 20.831 9.644 -15.227 108 HB3 ASP 14 2HB ASP 14 21.910 9.237 -13.896 109 H TYR 15 H TYR 15 19.172 7.978 -15.990 110 HA TYR 15 HA TYR 15 19.729 7.569 -18.844 111 HB2 TYR 15 1HB TYR 15 18.694 5.537 -17.495 112 HB3 TYR 15 2HB TYR 15 17.203 6.445 -17.716 113 HD1 TYR 15 HD2 TYR 15 20.152 5.669 -19.888 114 HD2 TYR 15 HD1 TYR 15 15.923 5.595 -19.428 115 HE1 TYR 15 HE2 TYR 15 19.928 4.737 -22.153 116 HE2 TYR 15 HE1 TYR 15 15.687 4.661 -21.692 117 HH TYR 15 HH TYR 15 18.150 4.668 -23.948 118 H GLN 16 H GLN 16 17.565 8.063 -20.101 119 HA GLN 16 HA GLN 16 15.968 10.152 -18.901 120 HB2 GLN 16 1HB GLN 16 18.270 10.767 -20.549 121 HB3 GLN 16 2HB GLN 16 16.790 11.377 -21.276 122 HG2 GLN 16 1HG GLN 16 16.998 11.915 -18.416 123 HG3 GLN 16 2HG GLN 16 18.276 12.655 -19.378 124 HE21 GLN 16 2HE2 GLN 16 15.524 13.391 -18.003 125 HE22 GLN 16 1HE2 GLN 16 14.852 14.505 -19.140 126 H GLU 17 H GLU 17 14.158 8.955 -19.367 127 HA GLU 17 HA GLU 17 13.566 7.547 -21.659 128 HB2 GLU 17 1HB GLU 17 11.202 7.824 -21.066 129 HB3 GLU 17 2HB GLU 17 12.180 7.455 -19.652 130 HG2 GLU 17 1HG GLU 17 10.807 9.119 -18.867 131 HG3 GLU 17 2HG GLU 17 12.246 10.023 -19.333 132 H LYS 18 H LYS 18 12.588 7.997 -23.611 133 HA LYS 18 HA LYS 18 12.386 10.852 -24.318 134 HB2 LYS 18 1HB LYS 18 12.891 9.888 -26.705 135 HB3 LYS 18 2HB LYS 18 14.205 10.204 -25.580 136 HG2 LYS 18 1HG LYS 18 14.522 8.072 -26.672 137 HG3 LYS 18 2HG LYS 18 14.225 7.836 -24.948 138 HD2 LYS 18 1HD LYS 18 12.085 7.000 -25.306 139 HD3 LYS 18 2HD LYS 18 11.964 7.724 -26.911 140 HE2 LYS 18 1HE LYS 18 13.929 6.136 -27.497 141 HE3 LYS 18 2HE LYS 18 13.434 5.263 -26.047 142 HZ1 LYS 18 3HZ LYS 18 12.352 5.045 -28.577 143 HZ2 LYS 18 1HZ LYS 18 11.185 5.858 -27.662 144 HZ3 LYS 18 2HZ LYS 18 11.761 4.352 -27.152 145 H SER 19 H SER 19 10.739 7.962 -23.974 146 HA SER 19 HA SER 19 8.493 9.006 -25.552 147 HB2 SER 19 1HB SER 19 8.026 6.442 -25.986 148 HB3 SER 19 2HB SER 19 9.120 7.346 -27.034 149 HG SER 19 HG SER 19 9.662 5.187 -25.633 150 HA PRO 20 HA PRO 20 5.982 8.123 -22.065 151 HB2 PRO 20 1HB PRO 20 3.663 7.304 -23.214 152 HB3 PRO 20 2HB PRO 20 4.210 8.985 -23.246 153 HG2 PRO 20 1HG PRO 20 4.429 6.881 -25.365 154 HG3 PRO 20 2HG PRO 20 3.982 8.589 -25.527 155 HD2 PRO 20 1HD PRO 20 6.461 7.670 -26.111 156 HD3 PRO 20 2HD PRO 20 6.174 9.299 -25.464 157 H ARG 21 H ARG 21 6.627 5.613 -24.358 158 HA ARG 21 HA ARG 21 5.524 3.542 -22.623 159 HB2 ARG 21 1HB ARG 21 5.999 2.004 -24.434 160 HB3 ARG 21 2HB ARG 21 5.148 3.409 -25.063 161 HG2 ARG 21 1HG ARG 21 7.390 4.332 -25.733 162 HG3 ARG 21 2HG ARG 21 8.068 2.755 -25.326 163 HD2 ARG 21 1HD ARG 21 5.984 3.370 -27.414 164 HD3 ARG 21 2HD ARG 21 7.635 2.814 -27.684 165 HE ARG 21 HE ARG 21 6.193 0.966 -26.086 166 HH11 ARG 21 1HH1 ARG 21 6.555 2.090 -29.362 167 HH12 ARG 21 2HH1 ARG 21 6.056 0.589 -30.070 168 HH21 ARG 21 1HH2 ARG 21 5.535 -1.014 -27.006 169 HH22 ARG 21 2HH2 ARG 21 5.475 -1.175 -28.729 170 H GLU 22 H GLU 22 8.027 5.254 -22.146 171 HA GLU 22 HA GLU 22 9.764 2.992 -21.433 172 HB2 GLU 22 1HB GLU 22 10.439 4.605 -23.465 173 HB3 GLU 22 2HB GLU 22 11.074 5.563 -22.135 174 HG2 GLU 22 1HG GLU 22 12.836 4.241 -21.927 175 HG3 GLU 22 2HG GLU 22 11.824 2.801 -21.847 176 H VAL 23 H VAL 23 11.612 3.958 -19.922 177 HA VAL 23 HA VAL 23 10.456 5.897 -18.052 178 HB VAL 23 HB VAL 23 11.304 4.394 -16.158 179 HG11 VAL 23 1HG1 VAL 23 8.970 4.777 -16.414 180 HG12 VAL 23 2HG1 VAL 23 8.880 3.691 -17.803 181 HG13 VAL 23 3HG1 VAL 23 9.188 3.041 -16.192 182 HG21 VAL 23 3HG2 VAL 23 11.097 2.335 -18.354 183 HG22 VAL 23 1HG2 VAL 23 12.572 2.830 -17.525 184 HG23 VAL 23 2HG2 VAL 23 11.302 1.987 -16.638 185 H THR 24 H THR 24 12.157 6.317 -16.231 186 HA THR 24 HA THR 24 14.859 6.348 -17.395 187 HB THR 24 HB THR 24 13.550 8.580 -17.564 188 HG1 THR 24 HG1 THR 24 16.106 8.528 -16.299 189 HG21 THR 24 3HG2 THR 24 13.403 9.939 -15.665 190 HG22 THR 24 1HG2 THR 24 14.495 8.915 -14.733 191 HG23 THR 24 2HG2 THR 24 12.859 8.362 -15.094 192 H MET 25 H MET 25 16.578 6.669 -15.816 193 HA MET 25 HA MET 25 15.839 6.107 -13.040 194 HB2 MET 25 1HB MET 25 17.943 4.522 -14.519 195 HB3 MET 25 2HB MET 25 17.431 4.296 -12.852 196 HG2 MET 25 1HG MET 25 15.373 3.393 -13.481 197 HG3 MET 25 2HG MET 25 15.507 4.009 -15.127 198 HE1 MET 25 3HE MET 25 18.121 1.685 -16.756 199 HE2 MET 25 1HE MET 25 17.213 3.195 -16.842 200 HE3 MET 25 2HE MET 25 18.645 3.085 -15.819 201 H LYS 26 H LYS 26 17.925 6.134 -11.644 202 HA LYS 26 HA LYS 26 19.718 8.253 -12.629 203 HB2 LYS 26 1HB LYS 26 18.665 7.996 -9.806 204 HB3 LYS 26 2HB LYS 26 19.729 9.258 -10.414 205 HG2 LYS 26 1HG LYS 26 17.903 9.926 -11.984 206 HG3 LYS 26 2HG LYS 26 16.851 8.783 -11.146 207 HD2 LYS 26 1HD LYS 26 17.020 9.994 -9.108 208 HD3 LYS 26 2HD LYS 26 18.331 10.995 -9.736 209 HE2 LYS 26 1HE LYS 26 16.920 12.290 -10.997 210 HE3 LYS 26 2HE LYS 26 15.722 11.009 -11.168 211 HZ1 LYS 26 3HZ LYS 26 15.911 13.065 -9.188 212 HZ2 LYS 26 1HZ LYS 26 15.754 11.530 -8.495 213 HZ3 LYS 26 2HZ LYS 26 14.597 12.083 -9.598 214 H LYS 27 H LYS 27 21.861 8.183 -11.920 215 HA LYS 27 HA LYS 27 23.046 5.697 -11.661 216 HB2 LYS 27 1HB LYS 27 25.050 6.990 -10.804 217 HB3 LYS 27 2HB LYS 27 24.402 7.513 -12.353 218 HG2 LYS 27 1HG LYS 27 23.206 8.921 -10.110 219 HG3 LYS 27 2HG LYS 27 24.957 9.121 -10.193 220 HD2 LYS 27 1HD LYS 27 24.382 9.499 -12.769 221 HD3 LYS 27 2HD LYS 27 22.845 10.017 -12.073 222 HE2 LYS 27 1HE LYS 27 23.932 11.676 -10.739 223 HE3 LYS 27 2HE LYS 27 25.525 11.059 -11.172 224 HZ1 LYS 27 3HZ LYS 27 25.163 12.962 -12.484 225 HZ2 LYS 27 1HZ LYS 27 23.597 12.483 -12.912 226 HZ3 LYS 27 2HZ LYS 27 24.934 11.649 -13.526 227 H GLY 28 H GLY 28 22.629 4.272 -10.093 228 HA2 GLY 28 1HA GLY 28 23.117 3.478 -7.904 229 HA3 GLY 28 2HA GLY 28 23.055 5.135 -7.320 230 H ASP 29 H ASP 29 20.545 4.166 -9.448 231 HA ASP 29 HA ASP 29 18.649 4.267 -7.224 232 HB2 ASP 29 1HB ASP 29 18.477 5.629 -9.447 233 HB3 ASP 29 2HB ASP 29 17.844 4.125 -10.110 234 H ILE 30 H ILE 30 16.787 2.766 -7.269 235 HA ILE 30 HA ILE 30 17.577 0.106 -8.263 236 HB ILE 30 HB ILE 30 16.068 0.700 -5.715 237 HG12 ILE 30 1HG1 ILE 30 18.831 -0.482 -5.970 238 HG13 ILE 30 2HG1 ILE 30 18.564 1.247 -5.781 239 HG21 ILE 30 1HG2 ILE 30 16.124 -1.611 -7.306 240 HG22 ILE 30 2HG2 ILE 30 17.147 -1.948 -5.911 241 HG23 ILE 30 3HG2 ILE 30 15.475 -1.439 -5.675 242 HD11 ILE 30 3HD1 ILE 30 18.449 -0.897 -3.815 243 HD12 ILE 30 1HD1 ILE 30 18.721 0.832 -3.600 244 HD13 ILE 30 2HD1 ILE 30 17.077 0.208 -3.743 245 H LEU 31 H LEU 31 16.140 -0.930 -9.498 246 HA LEU 31 HA LEU 31 13.363 0.054 -9.528 247 HB2 LEU 31 1HB LEU 31 15.013 -0.884 -11.870 248 HB3 LEU 31 2HB LEU 31 13.304 -0.459 -11.935 249 HG LEU 31 HG LEU 31 14.404 1.404 -12.810 250 HD11 LEU 31 1HD1 LEU 31 14.363 2.435 -10.043 251 HD12 LEU 31 2HD1 LEU 31 12.879 1.685 -10.630 252 HD13 LEU 31 3HD1 LEU 31 13.579 3.049 -11.499 253 HD21 LEU 31 3HD2 LEU 31 16.418 2.326 -12.065 254 HD22 LEU 31 1HD2 LEU 31 16.664 0.585 -11.931 255 HD23 LEU 31 2HD2 LEU 31 16.303 1.538 -10.491 256 H THR 32 H THR 32 11.736 -1.460 -9.751 257 HA THR 32 HA THR 32 12.438 -4.148 -8.954 258 HB THR 32 HB THR 32 9.625 -3.622 -9.638 259 HG1 THR 32 HG1 THR 32 9.398 -2.275 -7.722 260 HG21 THR 32 3HG2 THR 32 10.484 -4.303 -6.896 261 HG22 THR 32 1HG2 THR 32 10.921 -5.460 -8.153 262 HG23 THR 32 2HG2 THR 32 9.230 -5.025 -7.903 263 H LEU 33 H LEU 33 12.672 -5.830 -10.271 264 HA LEU 33 HA LEU 33 12.335 -5.542 -13.096 265 HB2 LEU 33 1HB LEU 33 14.135 -6.879 -12.048 266 HB3 LEU 33 2HB LEU 33 12.918 -8.026 -11.489 267 HG LEU 33 HG LEU 33 14.284 -8.626 -13.572 268 HD11 LEU 33 1HD1 LEU 33 11.397 -8.764 -14.224 269 HD12 LEU 33 2HD1 LEU 33 11.923 -9.471 -12.697 270 HD13 LEU 33 3HD1 LEU 33 12.623 -10.033 -14.215 271 HD21 LEU 33 3HD2 LEU 33 13.627 -6.201 -14.473 272 HD22 LEU 33 1HD2 LEU 33 12.284 -7.121 -15.151 273 HD23 LEU 33 2HD2 LEU 33 13.945 -7.564 -15.546 274 H LEU 34 H LEU 34 10.713 -6.206 -14.379 275 HA LEU 34 HA LEU 34 8.506 -7.702 -13.124 276 HB2 LEU 34 1HB LEU 34 8.525 -5.283 -14.833 277 HB3 LEU 34 2HB LEU 34 7.235 -6.451 -15.111 278 HG LEU 34 HG LEU 34 6.484 -4.683 -13.632 279 HD11 LEU 34 1HD1 LEU 34 5.431 -6.025 -12.077 280 HD12 LEU 34 2HD1 LEU 34 6.846 -7.050 -11.845 281 HD13 LEU 34 3HD1 LEU 34 5.889 -7.190 -13.319 282 HD21 LEU 34 3HD2 LEU 34 8.721 -4.114 -12.723 283 HD22 LEU 34 1HD2 LEU 34 8.652 -5.573 -11.735 284 HD23 LEU 34 2HD2 LEU 34 7.480 -4.280 -11.480 285 H ASN 35 H ASN 35 10.498 -7.225 -15.958 286 HA ASN 35 HA ASN 35 9.780 -9.886 -16.888 287 HB2 ASN 35 1HB ASN 35 8.431 -7.812 -18.000 288 HB3 ASN 35 2HB ASN 35 9.838 -7.876 -19.057 289 HD21 ASN 35 2HD2 ASN 35 8.074 -8.398 -20.603 290 HD22 ASN 35 1HD2 ASN 35 7.648 -10.061 -20.796 291 H SER 36 H SER 36 11.518 -10.950 -17.599 292 HA SER 36 HA SER 36 13.876 -9.386 -18.418 293 HB2 SER 36 1HB SER 36 15.334 -10.810 -17.195 294 HB3 SER 36 2HB SER 36 14.024 -10.408 -16.084 295 HG SER 36 HG SER 36 13.065 -12.436 -16.677 296 H THR 37 H THR 37 11.722 -10.770 -19.937 297 HA THR 37 HA THR 37 12.583 -13.184 -21.038 298 HB THR 37 HB THR 37 10.325 -12.206 -21.392 299 HG1 THR 37 HG1 THR 37 10.193 -12.932 -23.574 300 HG21 THR 37 3HG2 THR 37 11.652 -9.951 -22.178 301 HG22 THR 37 1HG2 THR 37 9.950 -10.282 -22.497 302 HG23 THR 37 2HG2 THR 37 11.163 -10.641 -23.726 303 H ASN 38 H ASN 38 13.718 -9.960 -21.538 304 HA ASN 38 HA ASN 38 15.359 -10.867 -23.809 305 HB2 ASN 38 1HB ASN 38 13.730 -8.827 -23.981 306 HB3 ASN 38 2HB ASN 38 14.996 -7.975 -23.103 307 HD21 ASN 38 2HD2 ASN 38 14.991 -10.393 -25.701 308 HD22 ASN 38 1HD2 ASN 38 15.981 -9.479 -26.783 309 H LYS 39 H LYS 39 17.512 -9.651 -23.935 310 HA LYS 39 HA LYS 39 18.714 -9.589 -21.245 311 HB2 LYS 39 1HB LYS 39 20.833 -10.260 -22.358 312 HB3 LYS 39 2HB LYS 39 19.561 -11.466 -22.498 313 HG2 LYS 39 1HG LYS 39 19.099 -10.729 -24.775 314 HG3 LYS 39 2HG LYS 39 20.359 -9.500 -24.636 315 HD2 LYS 39 1HD LYS 39 21.217 -11.426 -25.827 316 HD3 LYS 39 2HD LYS 39 22.019 -11.287 -24.261 317 HE2 LYS 39 1HE LYS 39 20.638 -13.028 -23.342 318 HE3 LYS 39 2HE LYS 39 19.663 -13.087 -24.809 319 HZ1 LYS 39 3HZ LYS 39 22.480 -13.934 -24.468 320 HZ2 LYS 39 1HZ LYS 39 21.774 -13.715 -25.990 321 HZ3 LYS 39 2HZ LYS 39 21.157 -14.881 -24.931 322 H ASP 40 H ASP 40 18.264 -7.922 -24.234 323 HA ASP 40 HA ASP 40 20.364 -6.003 -23.837 324 HB2 ASP 40 1HB ASP 40 18.000 -6.077 -25.718 325 HB3 ASP 40 2HB ASP 40 19.195 -4.783 -25.711 326 H TRP 41 H TRP 41 16.844 -6.028 -23.417 327 HA TRP 41 HA TRP 41 17.126 -3.730 -21.610 328 HB2 TRP 41 1HB TRP 41 14.913 -4.020 -23.653 329 HB3 TRP 41 2HB TRP 41 15.122 -2.692 -22.514 330 HD1 TRP 41 HD1 TRP 41 16.953 -4.245 -25.556 331 HE1 TRP 41 HE1 TRP 41 18.222 -2.359 -26.764 332 HE3 TRP 41 HE3 TRP 41 15.960 -0.403 -22.333 333 HZ2 TRP 41 HZ2 TRP 41 18.735 0.392 -26.399 334 HZ3 TRP 41 HZ3 TRP 41 16.877 1.825 -22.834 335 HH2 TRP 41 HH2 TRP 41 18.236 2.212 -24.825 336 H TRP 42 H TRP 42 15.868 -3.787 -19.801 337 HA TRP 42 HA TRP 42 14.143 -6.156 -19.489 338 HB2 TRP 42 1HB TRP 42 15.718 -4.687 -17.363 339 HB3 TRP 42 2HB TRP 42 14.683 -6.086 -17.090 340 HD1 TRP 42 HD1 TRP 42 15.779 -7.686 -19.744 341 HE1 TRP 42 HE1 TRP 42 18.083 -8.821 -19.573 342 HE3 TRP 42 HE3 TRP 42 17.696 -5.043 -15.810 343 HZ2 TRP 42 HZ2 TRP 42 20.405 -8.622 -17.980 344 HZ3 TRP 42 HZ3 TRP 42 19.965 -5.577 -15.024 345 HH2 TRP 42 HH2 TRP 42 21.290 -7.331 -16.088 346 H LYS 43 H LYS 43 12.159 -5.931 -18.476 347 HA LYS 43 HA LYS 43 11.079 -3.225 -18.504 348 HB2 LYS 43 1HB LYS 43 9.841 -4.996 -19.664 349 HB3 LYS 43 2HB LYS 43 9.705 -5.897 -18.159 350 HG2 LYS 43 1HG LYS 43 7.664 -4.898 -18.200 351 HG3 LYS 43 2HG LYS 43 8.576 -3.667 -17.323 352 HD2 LYS 43 1HD LYS 43 7.751 -2.261 -18.869 353 HD3 LYS 43 2HD LYS 43 9.011 -2.929 -19.909 354 HE2 LYS 43 1HE LYS 43 6.977 -3.018 -21.133 355 HE3 LYS 43 2HE LYS 43 7.350 -4.667 -20.634 356 HZ1 LYS 43 3HZ LYS 43 5.341 -2.837 -19.447 357 HZ2 LYS 43 1HZ LYS 43 5.813 -4.292 -18.722 358 HZ3 LYS 43 2HZ LYS 43 5.059 -4.306 -20.237 359 H VAL 44 H VAL 44 11.189 -2.074 -16.697 360 HA VAL 44 HA VAL 44 10.828 -3.463 -14.121 361 HB VAL 44 HB VAL 44 12.149 -1.695 -13.068 362 HG11 VAL 44 1HG1 VAL 44 13.098 -3.778 -14.564 363 HG12 VAL 44 2HG1 VAL 44 14.024 -2.414 -15.192 364 HG13 VAL 44 3HG1 VAL 44 14.062 -2.788 -13.469 365 HG21 VAL 44 3HG2 VAL 44 11.617 0.124 -14.609 366 HG22 VAL 44 1HG2 VAL 44 13.362 -0.059 -14.422 367 HG23 VAL 44 2HG2 VAL 44 12.562 -0.662 -15.874 368 H GLU 45 H GLU 45 9.816 -2.177 -12.409 369 HA GLU 45 HA GLU 45 7.757 -0.392 -13.519 370 HB2 GLU 45 1HB GLU 45 6.883 -2.436 -12.488 371 HB3 GLU 45 2HB GLU 45 7.713 -2.046 -10.989 372 HG2 GLU 45 1HG GLU 45 5.827 -0.040 -12.085 373 HG3 GLU 45 2HG GLU 45 5.155 -1.504 -11.369 374 H VAL 46 H VAL 46 8.180 1.684 -13.191 375 HA VAL 46 HA VAL 46 9.542 2.476 -10.702 376 HB VAL 46 HB VAL 46 10.213 4.526 -11.855 377 HG11 VAL 46 1HG1 VAL 46 12.017 3.574 -12.831 378 HG12 VAL 46 2HG1 VAL 46 11.341 2.105 -12.125 379 HG13 VAL 46 3HG1 VAL 46 11.044 2.487 -13.821 380 HG21 VAL 46 3HG2 VAL 46 8.734 3.328 -14.191 381 HG22 VAL 46 1HG2 VAL 46 8.404 4.857 -13.376 382 HG23 VAL 46 2HG2 VAL 46 9.873 4.667 -14.333 383 H LYS 47 H LYS 47 8.968 4.809 -10.055 384 HA LYS 47 HA LYS 47 6.043 4.978 -9.946 385 HB2 LYS 47 1HB LYS 47 8.259 5.794 -8.146 386 HB3 LYS 47 2HB LYS 47 6.829 6.818 -8.154 387 HG2 LYS 47 1HG LYS 47 5.581 4.525 -7.870 388 HG3 LYS 47 2HG LYS 47 7.147 4.006 -7.242 389 HD2 LYS 47 1HD LYS 47 6.204 4.757 -5.305 390 HD3 LYS 47 2HD LYS 47 6.926 6.265 -5.871 391 HE2 LYS 47 1HE LYS 47 4.726 6.816 -5.240 392 HE3 LYS 47 2HE LYS 47 4.704 6.735 -7.001 393 HZ1 LYS 47 3HZ LYS 47 2.813 5.580 -6.317 394 HZ2 LYS 47 1HZ LYS 47 3.621 4.783 -5.063 395 HZ3 LYS 47 2HZ LYS 47 3.926 4.356 -6.671 396 H ALA 48 H ALA 48 4.961 6.973 -10.265 397 HA ALA 48 HA ALA 48 6.502 9.088 -11.589 398 HB1 ALA 48 1HB ALA 48 5.720 8.458 -13.578 399 HB2 ALA 48 2HB ALA 48 4.574 7.328 -12.856 400 HB3 ALA 48 3HB ALA 48 4.144 9.030 -13.028 401 H THR 49 H THR 49 5.452 11.152 -11.620 402 HA THR 49 HA THR 49 3.190 11.404 -9.754 403 HB THR 49 HB THR 49 5.547 13.294 -9.808 404 HG1 THR 49 HG1 THR 49 6.432 12.096 -8.289 405 HG21 THR 49 3HG2 THR 49 3.127 13.052 -8.023 406 HG22 THR 49 1HG2 THR 49 3.557 14.402 -9.073 407 HG23 THR 49 2HG2 THR 49 4.529 14.052 -7.644 408 H ALA 50 H ALA 50 1.542 12.217 -10.863 409 HA ALA 50 HA ALA 50 1.976 14.590 -12.511 410 HB1 ALA 50 1HB ALA 50 1.344 13.713 -14.477 411 HB2 ALA 50 2HB ALA 50 1.808 12.176 -13.745 412 HB3 ALA 50 3HB ALA 50 0.118 12.682 -13.739 413 H ASN 51 H ASN 51 0.122 15.890 -12.785 414 HA ASN 51 HA ASN 51 -1.761 16.930 -12.042 415 HB2 ASN 51 1HB ASN 51 -2.971 14.215 -11.583 416 HB3 ASN 51 2HB ASN 51 -3.754 15.689 -12.145 417 HD21 ASN 51 2HD2 ASN 51 -2.140 12.830 -13.027 418 HD22 ASN 51 1HD2 ASN 51 -2.130 13.084 -14.736 419 H GLY 52 H GLY 52 0.278 16.201 -10.078 420 HA2 GLY 52 1HA GLY 52 0.542 16.478 -7.809 421 HA3 GLY 52 2HA GLY 52 -1.166 16.878 -7.721 422 H LYS 53 H LYS 53 -0.315 13.871 -9.162 423 HA LYS 53 HA LYS 53 -0.913 12.450 -6.658 424 HB2 LYS 53 1HB LYS 53 -2.140 11.983 -9.375 425 HB3 LYS 53 2HB LYS 53 -2.209 10.797 -8.078 426 HG2 LYS 53 1HG LYS 53 -3.224 13.602 -7.744 427 HG3 LYS 53 2HG LYS 53 -4.228 12.294 -8.374 428 HD2 LYS 53 1HD LYS 53 -4.095 11.083 -6.355 429 HD3 LYS 53 2HD LYS 53 -2.755 12.067 -5.762 430 HE2 LYS 53 1HE LYS 53 -5.415 13.309 -6.354 431 HE3 LYS 53 2HE LYS 53 -5.140 12.470 -4.828 432 HZ1 LYS 53 3HZ LYS 53 -4.701 14.835 -4.629 433 HZ2 LYS 53 1HZ LYS 53 -3.540 14.751 -5.857 434 HZ3 LYS 53 2HZ LYS 53 -3.280 13.948 -4.391 435 H THR 54 H THR 54 0.067 10.442 -6.402 436 HA THR 54 HA THR 54 2.269 9.914 -8.281 437 HB THR 54 HB THR 54 3.085 8.471 -6.252 438 HG1 THR 54 HG1 THR 54 1.637 10.438 -4.818 439 HG21 THR 54 3HG2 THR 54 3.231 11.429 -6.633 440 HG22 THR 54 1HG2 THR 54 4.490 10.209 -6.821 441 HG23 THR 54 2HG2 THR 54 3.978 10.707 -5.209 442 H TYR 55 H TYR 55 2.567 7.909 -9.160 443 HA TYR 55 HA TYR 55 0.914 5.678 -8.315 444 HB2 TYR 55 1HB TYR 55 0.010 5.293 -10.583 445 HB3 TYR 55 2HB TYR 55 -0.563 6.806 -9.889 446 HD1 TYR 55 HD1 TYR 55 1.905 5.382 -12.270 447 HD2 TYR 55 HD2 TYR 55 -0.219 8.846 -11.006 448 HE1 TYR 55 HE1 TYR 55 2.696 6.586 -14.263 449 HE2 TYR 55 HE2 TYR 55 0.566 10.059 -12.996 450 HH TYR 55 HH TYR 55 1.474 8.984 -15.569 451 H GLU 56 H GLU 56 1.349 3.785 -10.005 452 HA GLU 56 HA GLU 56 4.265 3.726 -10.418 453 HB2 GLU 56 1HB GLU 56 2.416 1.391 -9.900 454 HB3 GLU 56 2HB GLU 56 4.165 1.317 -10.063 455 HG2 GLU 56 1HG GLU 56 4.527 2.344 -8.011 456 HG3 GLU 56 2HG GLU 56 2.892 3.001 -7.944 457 H ARG 57 H ARG 57 5.088 2.959 -12.331 458 HA ARG 57 HA ARG 57 3.225 2.019 -14.379 459 HB2 ARG 57 1HB ARG 57 3.945 3.597 -16.020 460 HB3 ARG 57 2HB ARG 57 3.481 4.510 -14.590 461 HG2 ARG 57 1HG ARG 57 6.008 4.382 -14.007 462 HG3 ARG 57 2HG ARG 57 6.197 4.024 -15.724 463 HD2 ARG 57 1HD ARG 57 4.410 6.230 -15.420 464 HD3 ARG 57 2HD ARG 57 5.871 6.542 -14.483 465 HE ARG 57 HE ARG 57 7.054 6.732 -16.440 466 HH11 ARG 57 1HH1 ARG 57 3.936 5.330 -17.099 467 HH12 ARG 57 2HH1 ARG 57 4.102 5.445 -18.820 468 HH21 ARG 57 1HH2 ARG 57 7.285 6.890 -18.704 469 HH22 ARG 57 2HH2 ARG 57 6.008 6.332 -19.732 470 H GLN 58 H GLN 58 4.181 0.784 -16.023 471 HA GLN 58 HA GLN 58 6.828 -0.257 -15.319 472 HB2 GLN 58 1HB GLN 58 4.561 -1.376 -16.958 473 HB3 GLN 58 2HB GLN 58 6.161 -2.106 -16.945 474 HG2 GLN 58 1HG GLN 58 6.005 -2.591 -14.620 475 HG3 GLN 58 2HG GLN 58 4.522 -1.651 -14.468 476 HE21 GLN 58 2HE2 GLN 58 5.845 -4.383 -16.300 477 HE22 GLN 58 1HE2 GLN 58 4.401 -5.330 -16.264 478 H GLY 59 H GLY 59 8.553 -0.129 -16.657 479 HA2 GLY 59 1HA GLY 59 8.145 0.794 -19.410 480 HA3 GLY 59 2HA GLY 59 9.158 1.767 -18.355 481 H PHE 60 H PHE 60 10.448 1.042 -20.466 482 HA PHE 60 HA PHE 60 11.885 -1.446 -19.840 483 HB2 PHE 60 1HB PHE 60 11.534 0.094 -22.407 484 HB3 PHE 60 2HB PHE 60 12.772 -1.144 -22.226 485 HD1 PHE 60 HD1 PHE 60 11.879 -3.447 -21.291 486 HD2 PHE 60 HD2 PHE 60 9.493 -0.520 -23.254 487 HE1 PHE 60 HE1 PHE 60 10.231 -5.181 -21.864 488 HE2 PHE 60 HE2 PHE 60 7.840 -2.249 -23.830 489 HZ PHE 60 HZ PHE 60 8.207 -4.583 -23.135 490 H VAL 61 H VAL 61 14.101 -1.469 -19.622 491 HA VAL 61 HA VAL 61 15.515 1.098 -19.777 492 HB VAL 61 HB VAL 61 16.624 0.718 -17.643 493 HG11 VAL 61 1HG1 VAL 61 14.562 0.912 -16.146 494 HG12 VAL 61 2HG1 VAL 61 14.743 2.102 -17.437 495 HG13 VAL 61 3HG1 VAL 61 13.622 0.754 -17.629 496 HG21 VAL 61 3HG2 VAL 61 15.845 -1.058 -16.124 497 HG22 VAL 61 1HG2 VAL 61 14.825 -1.693 -17.415 498 HG23 VAL 61 2HG2 VAL 61 16.580 -1.707 -17.589 499 HA PRO 62 HA PRO 62 18.724 -1.221 -21.681 500 HB2 PRO 62 1HB PRO 62 20.895 0.244 -20.968 501 HB3 PRO 62 2HB PRO 62 19.717 0.794 -22.165 502 HG2 PRO 62 1HG PRO 62 19.957 1.520 -19.271 503 HG3 PRO 62 2HG PRO 62 19.627 2.567 -20.664 504 HD2 PRO 62 1HD PRO 62 17.675 1.697 -19.000 505 HD3 PRO 62 2HD PRO 62 17.396 1.989 -20.729 506 H ALA 63 H ALA 63 19.200 -3.186 -20.902 507 HA ALA 63 HA ALA 63 19.837 -3.768 -18.222 508 HB1 ALA 63 1HB ALA 63 18.931 -5.509 -19.539 509 HB2 ALA 63 2HB ALA 63 20.192 -5.340 -20.761 510 HB3 ALA 63 3HB ALA 63 20.589 -5.986 -19.169 511 H ALA 64 H ALA 64 21.710 -2.400 -20.681 512 HA ALA 64 HA ALA 64 24.261 -3.434 -19.856 513 HB1 ALA 64 1HB ALA 64 23.953 -2.746 -22.149 514 HB2 ALA 64 2HB ALA 64 23.548 -1.108 -21.638 515 HB3 ALA 64 3HB ALA 64 25.179 -1.730 -21.391 516 H TYR 65 H TYR 65 22.198 -0.852 -18.882 517 HA TYR 65 HA TYR 65 24.373 0.444 -17.400 518 HB2 TYR 65 1HB TYR 65 21.544 1.381 -17.921 519 HB3 TYR 65 2HB TYR 65 22.776 2.293 -17.056 520 HD1 TYR 65 HD2 TYR 65 24.983 1.204 -19.091 521 HD2 TYR 65 HD1 TYR 65 21.279 3.258 -19.493 522 HE1 TYR 65 HE2 TYR 65 25.758 2.174 -21.214 523 HE2 TYR 65 HE1 TYR 65 22.043 4.233 -21.618 524 HH TYR 65 HH TYR 65 24.376 3.127 -23.413 525 H VAL 66 H VAL 66 21.524 -1.475 -17.014 526 HA VAL 66 HA VAL 66 21.715 -1.188 -14.087 527 HB VAL 66 HB VAL 66 19.411 -1.882 -13.917 528 HG11 VAL 66 1HG1 VAL 66 20.263 0.482 -15.294 529 HG12 VAL 66 2HG1 VAL 66 18.667 -0.005 -15.869 530 HG13 VAL 66 3HG1 VAL 66 18.939 0.275 -14.148 531 HG21 VAL 66 3HG2 VAL 66 19.635 -2.311 -16.882 532 HG22 VAL 66 1HG2 VAL 66 19.132 -3.456 -15.638 533 HG23 VAL 66 2HG2 VAL 66 18.077 -2.113 -16.080 534 H LYS 67 H LYS 67 21.766 -3.021 -12.804 535 HA LYS 67 HA LYS 67 21.931 -5.615 -14.170 536 HB2 LYS 67 1HB LYS 67 24.220 -5.006 -13.911 537 HB3 LYS 67 2HB LYS 67 23.955 -4.440 -12.267 538 HG2 LYS 67 1HG LYS 67 23.642 -6.673 -11.475 539 HG3 LYS 67 2HG LYS 67 23.660 -7.310 -13.121 540 HD2 LYS 67 1HD LYS 67 25.999 -5.791 -12.015 541 HD3 LYS 67 2HD LYS 67 25.801 -7.517 -11.704 542 HE2 LYS 67 1HE LYS 67 25.767 -6.328 -14.469 543 HE3 LYS 67 2HE LYS 67 27.240 -6.900 -13.689 544 HZ1 LYS 67 3HZ LYS 67 24.832 -8.565 -14.186 545 HZ2 LYS 67 1HZ LYS 67 26.302 -9.095 -13.536 546 HZ3 LYS 67 2HZ LYS 67 26.228 -8.573 -15.143 547 H LYS 68 H LYS 68 20.993 -7.274 -13.105 548 HA LYS 68 HA LYS 68 19.135 -6.854 -11.106 549 HB2 LYS 68 1HB LYS 68 19.658 -8.927 -12.682 550 HB3 LYS 68 2HB LYS 68 20.477 -9.515 -11.241 551 HG2 LYS 68 1HG LYS 68 18.503 -9.595 -10.004 552 HG3 LYS 68 2HG LYS 68 17.648 -8.538 -11.130 553 HD2 LYS 68 1HD LYS 68 16.864 -10.790 -11.437 554 HD3 LYS 68 2HD LYS 68 17.817 -10.326 -12.849 555 HE2 LYS 68 1HE LYS 68 19.380 -11.581 -10.718 556 HE3 LYS 68 2HE LYS 68 18.135 -12.627 -11.400 557 HZ1 LYS 68 3HZ LYS 68 19.138 -11.726 -13.633 558 HZ2 LYS 68 1HZ LYS 68 19.841 -13.037 -12.826 559 HZ3 LYS 68 2HZ LYS 68 20.513 -11.492 -12.675 560 H LEU 69 H LEU 69 19.073 -7.485 -8.879 561 HA LEU 69 HA LEU 69 21.712 -7.368 -7.573 562 HB2 LEU 69 1HB LEU 69 19.058 -6.288 -6.639 563 HB3 LEU 69 2HB LEU 69 20.516 -6.336 -5.650 564 HG LEU 69 HG LEU 69 20.646 -4.920 -8.263 565 HD11 LEU 69 1HD1 LEU 69 18.603 -4.015 -7.499 566 HD12 LEU 69 2HD1 LEU 69 19.850 -2.847 -7.061 567 HD13 LEU 69 3HD1 LEU 69 19.180 -3.923 -5.834 568 HD21 LEU 69 3HD2 LEU 69 22.492 -4.014 -7.380 569 HD22 LEU 69 1HD2 LEU 69 22.376 -5.302 -6.180 570 HD23 LEU 69 2HD2 LEU 69 21.713 -3.705 -5.828 571 H ASP 70 H ASP 70 21.148 -9.821 -8.177 572 HA ASP 70 HA ASP 70 19.381 -11.335 -6.695 573 HB2 ASP 70 1HB ASP 70 21.942 -11.848 -8.077 574 HB3 ASP 70 2HB ASP 70 21.494 -13.031 -6.850 Start of MODEL 14 1 H1 MET 1 H MET 1 3.360 1.743 -0.151 2 HA MET 1 HA MET 1 5.534 1.188 -1.773 3 HB2 MET 1 1HB MET 1 5.349 1.471 1.225 4 HB3 MET 1 2HB MET 1 6.880 1.328 0.371 5 HG2 MET 1 1HG MET 1 4.916 3.437 -0.408 6 HG3 MET 1 2HG MET 1 5.965 3.665 0.989 7 HE1 MET 1 3HE MET 1 8.322 3.822 1.041 8 HE2 MET 1 1HE MET 1 9.328 4.405 -0.285 9 HE3 MET 1 2HE MET 1 8.029 5.417 0.346 10 H ASP 2 H ASP 2 4.646 -1.027 -2.427 11 HA ASP 2 HA ASP 2 5.997 -3.065 -0.789 12 HB2 ASP 2 1HB ASP 2 4.214 -4.674 -1.445 13 HB3 ASP 2 2HB ASP 2 3.621 -3.356 -0.438 14 H GLU 3 H GLU 3 7.333 -1.834 -2.797 15 HA GLU 3 HA GLU 3 7.263 -3.785 -5.005 16 HB2 GLU 3 1HB GLU 3 8.376 -0.977 -5.092 17 HB3 GLU 3 2HB GLU 3 8.205 -2.085 -6.446 18 HG2 GLU 3 1HG GLU 3 5.970 -0.831 -4.870 19 HG3 GLU 3 2HG GLU 3 6.473 -0.406 -6.505 20 H THR 4 H THR 4 8.550 -4.806 -3.003 21 HA THR 4 HA THR 4 11.272 -4.937 -3.880 22 HB THR 4 HB THR 4 11.956 -4.487 -1.318 23 HG1 THR 4 HG1 THR 4 10.754 -2.348 -0.958 24 HG21 THR 4 3HG2 THR 4 11.937 -1.926 -2.564 25 HG22 THR 4 1HG2 THR 4 12.228 -3.146 -3.804 26 HG23 THR 4 2HG2 THR 4 13.280 -3.056 -2.391 27 H GLY 5 H GLY 5 11.469 -7.083 -3.933 28 HA2 GLY 5 1HA GLY 5 11.894 -8.773 -1.906 29 HA3 GLY 5 2HA GLY 5 10.138 -8.740 -1.949 30 H LYS 6 H LYS 6 10.467 -8.288 -4.983 31 HA LYS 6 HA LYS 6 10.513 -11.136 -5.628 32 HB2 LYS 6 1HB LYS 6 9.886 -9.122 -7.714 33 HB3 LYS 6 2HB LYS 6 9.122 -10.670 -7.379 34 HG2 LYS 6 1HG LYS 6 7.433 -9.387 -6.653 35 HG3 LYS 6 2HG LYS 6 8.399 -9.290 -5.178 36 HD2 LYS 6 1HD LYS 6 9.440 -7.298 -6.802 37 HD3 LYS 6 2HD LYS 6 7.699 -7.214 -7.083 38 HE2 LYS 6 1HE LYS 6 8.957 -7.265 -4.345 39 HE3 LYS 6 2HE LYS 6 8.547 -5.782 -5.205 40 HZ1 LYS 6 3HZ LYS 6 6.265 -7.262 -5.324 41 HZ2 LYS 6 1HZ LYS 6 6.561 -5.984 -4.256 42 HZ3 LYS 6 2HZ LYS 6 6.845 -7.578 -3.767 43 H GLU 7 H GLU 7 11.741 -8.142 -7.139 44 HA GLU 7 HA GLU 7 14.387 -9.046 -7.393 45 HB2 GLU 7 1HB GLU 7 12.991 -10.510 -9.075 46 HB3 GLU 7 2HB GLU 7 13.068 -9.068 -10.078 47 HG2 GLU 7 1HG GLU 7 14.922 -10.120 -10.832 48 HG3 GLU 7 2HG GLU 7 15.641 -9.240 -9.484 49 H LEU 8 H LEU 8 15.111 -7.042 -6.949 50 HA LEU 8 HA LEU 8 14.141 -4.803 -8.581 51 HB2 LEU 8 1HB LEU 8 15.371 -5.025 -5.876 52 HB3 LEU 8 2HB LEU 8 15.578 -3.529 -6.786 53 HG LEU 8 HG LEU 8 13.657 -3.694 -5.077 54 HD11 LEU 8 1HD1 LEU 8 13.915 -2.386 -7.611 55 HD12 LEU 8 2HD1 LEU 8 13.170 -1.802 -6.123 56 HD13 LEU 8 3HD1 LEU 8 12.215 -2.726 -7.283 57 HD21 LEU 8 3HD2 LEU 8 12.305 -5.062 -7.394 58 HD22 LEU 8 1HD2 LEU 8 11.625 -4.686 -5.811 59 HD23 LEU 8 2HD2 LEU 8 12.883 -5.913 -5.961 60 H VAL 9 H VAL 9 15.651 -3.303 -9.480 61 HA VAL 9 HA VAL 9 18.376 -4.363 -9.826 62 HB VAL 9 HB VAL 9 18.381 -3.774 -12.161 63 HG11 VAL 9 1HG1 VAL 9 17.508 -5.751 -12.675 64 HG12 VAL 9 2HG1 VAL 9 16.828 -5.820 -11.048 65 HG13 VAL 9 3HG1 VAL 9 15.873 -5.161 -12.377 66 HG21 VAL 9 3HG2 VAL 9 17.090 -2.047 -12.759 67 HG22 VAL 9 1HG2 VAL 9 15.796 -3.235 -12.917 68 HG23 VAL 9 2HG2 VAL 9 15.968 -2.311 -11.424 69 H LEU 10 H LEU 10 20.014 -2.863 -9.950 70 HA LEU 10 HA LEU 10 19.270 -0.135 -9.176 71 HB2 LEU 10 1HB LEU 10 20.830 -1.447 -7.746 72 HB3 LEU 10 2HB LEU 10 21.977 -1.457 -9.085 73 HG LEU 10 HG LEU 10 21.707 1.162 -8.885 74 HD11 LEU 10 1HD1 LEU 10 20.436 0.121 -6.468 75 HD12 LEU 10 2HD1 LEU 10 20.343 1.720 -7.204 76 HD13 LEU 10 3HD1 LEU 10 21.703 1.309 -6.160 77 HD21 LEU 10 3HD2 LEU 10 23.377 -0.636 -7.143 78 HD22 LEU 10 1HD2 LEU 10 23.606 1.111 -7.224 79 HD23 LEU 10 2HD2 LEU 10 23.825 0.126 -8.670 80 H ALA 11 H ALA 11 20.107 1.677 -10.225 81 HA ALA 11 HA ALA 11 20.839 1.206 -13.013 82 HB1 ALA 11 1HB ALA 11 20.570 3.853 -12.930 83 HB2 ALA 11 2HB ALA 11 19.190 2.765 -13.088 84 HB3 ALA 11 3HB ALA 11 19.603 3.441 -11.513 85 H LEU 12 H LEU 12 22.989 0.797 -13.129 86 HA LEU 12 HA LEU 12 24.983 1.934 -11.526 87 HB2 LEU 12 1HB LEU 12 25.333 0.970 -14.356 88 HB3 LEU 12 2HB LEU 12 26.559 1.050 -13.093 89 HG LEU 12 HG LEU 12 24.152 -0.753 -12.931 90 HD11 LEU 12 1HD1 LEU 12 26.595 -1.019 -14.508 91 HD12 LEU 12 2HD1 LEU 12 25.075 -1.908 -14.606 92 HD13 LEU 12 3HD1 LEU 12 26.296 -2.376 -13.422 93 HD21 LEU 12 3HD2 LEU 12 25.419 -0.119 -10.848 94 HD22 LEU 12 1HD2 LEU 12 26.814 -0.947 -11.540 95 HD23 LEU 12 2HD2 LEU 12 25.338 -1.847 -11.193 96 H TYR 13 H TYR 13 23.894 2.821 -14.794 97 HA TYR 13 HA TYR 13 25.155 5.454 -14.393 98 HB2 TYR 13 1HB TYR 13 24.836 3.991 -17.021 99 HB3 TYR 13 2HB TYR 13 25.597 5.560 -16.789 100 HD1 TYR 13 HD1 TYR 13 27.730 5.685 -15.444 101 HD2 TYR 13 HD2 TYR 13 26.059 1.994 -16.744 102 HE1 TYR 13 HE1 TYR 13 29.900 4.584 -15.087 103 HE2 TYR 13 HE2 TYR 13 28.225 0.883 -16.389 104 HH TYR 13 HH TYR 13 30.841 1.918 -16.364 105 H ASP 14 H ASP 14 24.036 7.263 -15.118 106 HA ASP 14 HA ASP 14 21.237 7.172 -14.940 107 HB2 ASP 14 1HB ASP 14 21.264 9.503 -15.405 108 HB3 ASP 14 2HB ASP 14 22.746 9.168 -14.513 109 H TYR 15 H TYR 15 19.695 7.912 -16.609 110 HA TYR 15 HA TYR 15 20.482 7.247 -19.350 111 HB2 TYR 15 1HB TYR 15 19.350 5.298 -17.974 112 HB3 TYR 15 2HB TYR 15 17.874 6.181 -18.347 113 HD1 TYR 15 HD1 TYR 15 20.963 5.362 -20.297 114 HD2 TYR 15 HD2 TYR 15 16.719 5.166 -20.061 115 HE1 TYR 15 HE1 TYR 15 20.895 4.298 -22.513 116 HE2 TYR 15 HE2 TYR 15 16.640 4.101 -22.277 117 HH TYR 15 HH TYR 15 19.562 3.670 -24.214 118 H GLN 16 H GLN 16 18.482 7.666 -20.843 119 HA GLN 16 HA GLN 16 16.788 9.833 -19.923 120 HB2 GLN 16 1HB GLN 16 19.225 10.401 -21.221 121 HB3 GLN 16 2HB GLN 16 17.961 10.671 -22.414 122 HG2 GLN 16 1HG GLN 16 17.743 12.688 -21.517 123 HG3 GLN 16 2HG GLN 16 16.955 11.881 -20.162 124 HE21 GLN 16 2HE2 GLN 16 17.691 12.558 -18.293 125 HE22 GLN 16 1HE2 GLN 16 19.322 12.999 -17.932 126 H GLU 17 H GLU 17 15.014 8.576 -20.399 127 HA GLU 17 HA GLU 17 14.577 7.000 -22.620 128 HB2 GLU 17 1HB GLU 17 12.188 7.251 -22.173 129 HB3 GLU 17 2HB GLU 17 13.085 7.037 -20.677 130 HG2 GLU 17 1HG GLU 17 13.008 9.485 -20.332 131 HG3 GLU 17 2HG GLU 17 11.999 9.620 -21.770 132 H LYS 18 H LYS 18 13.676 7.305 -24.643 133 HA LYS 18 HA LYS 18 13.673 10.092 -25.596 134 HB2 LYS 18 1HB LYS 18 14.000 8.979 -27.878 135 HB3 LYS 18 2HB LYS 18 15.364 8.954 -26.767 136 HG2 LYS 18 1HG LYS 18 13.516 6.640 -26.708 137 HG3 LYS 18 2HG LYS 18 14.579 6.807 -28.108 138 HD2 LYS 18 1HD LYS 18 16.401 7.213 -26.245 139 HD3 LYS 18 2HD LYS 18 15.255 6.313 -25.248 140 HE2 LYS 18 1HE LYS 18 16.762 4.721 -26.144 141 HE3 LYS 18 2HE LYS 18 15.258 4.547 -27.047 142 HZ1 LYS 18 3HZ LYS 18 16.803 6.423 -28.391 143 HZ2 LYS 18 1HZ LYS 18 16.415 4.854 -28.892 144 HZ3 LYS 18 2HZ LYS 18 17.835 5.135 -28.018 145 H SER 19 H SER 19 11.812 7.209 -25.257 146 HA SER 19 HA SER 19 9.600 8.478 -26.736 147 HB2 SER 19 1HB SER 19 10.581 5.668 -26.714 148 HB3 SER 19 2HB SER 19 8.836 5.912 -26.789 149 HG SER 19 HG SER 19 9.420 7.452 -28.567 150 HA PRO 20 HA PRO 20 7.106 8.312 -23.132 151 HB2 PRO 20 1HB PRO 20 4.674 7.636 -24.131 152 HB3 PRO 20 2HB PRO 20 5.407 9.225 -24.380 153 HG2 PRO 20 1HG PRO 20 5.320 6.870 -26.226 154 HG3 PRO 20 2HG PRO 20 5.065 8.586 -26.590 155 HD2 PRO 20 1HD PRO 20 7.405 7.322 -27.098 156 HD3 PRO 20 2HD PRO 20 7.324 9.039 -26.652 157 H ARG 21 H ARG 21 7.466 5.489 -25.074 158 HA ARG 21 HA ARG 21 6.063 3.753 -23.221 159 HB2 ARG 21 1HB ARG 21 6.354 3.541 -25.847 160 HB3 ARG 21 2HB ARG 21 7.823 2.691 -25.384 161 HG2 ARG 21 1HG ARG 21 6.263 0.994 -25.601 162 HG3 ARG 21 2HG ARG 21 6.288 1.299 -23.863 163 HD2 ARG 21 1HD ARG 21 4.004 1.070 -24.636 164 HD3 ARG 21 2HD ARG 21 4.301 2.724 -24.102 165 HE ARG 21 HE ARG 21 4.766 2.561 -26.864 166 HH11 ARG 21 1HH1 ARG 21 2.147 2.412 -24.576 167 HH12 ARG 21 2HH1 ARG 21 0.965 3.012 -25.692 168 HH21 ARG 21 1HH2 ARG 21 3.220 3.353 -28.343 169 HH22 ARG 21 2HH2 ARG 21 1.576 3.546 -27.834 170 H GLU 22 H GLU 22 9.312 4.790 -23.897 171 HA GLU 22 HA GLU 22 10.511 2.704 -22.279 172 HB2 GLU 22 1HB GLU 22 11.519 3.856 -24.385 173 HB3 GLU 22 2HB GLU 22 11.965 5.136 -23.266 174 HG2 GLU 22 1HG GLU 22 13.603 3.927 -22.325 175 HG3 GLU 22 2HG GLU 22 12.686 2.424 -22.405 176 H VAL 23 H VAL 23 12.117 3.399 -20.564 177 HA VAL 23 HA VAL 23 11.026 5.641 -18.992 178 HB VAL 23 HB VAL 23 11.743 4.269 -16.956 179 HG11 VAL 23 1HG1 VAL 23 9.476 4.480 -17.059 180 HG12 VAL 23 2HG1 VAL 23 9.376 3.819 -18.692 181 HG13 VAL 23 3HG1 VAL 23 9.607 2.740 -17.315 182 HG21 VAL 23 3HG2 VAL 23 12.462 2.160 -17.164 183 HG22 VAL 23 1HG2 VAL 23 11.245 1.773 -18.380 184 HG23 VAL 23 2HG2 VAL 23 12.748 2.562 -18.858 185 H THR 24 H THR 24 12.688 6.002 -17.037 186 HA THR 24 HA THR 24 15.439 5.896 -18.024 187 HB THR 24 HB THR 24 14.294 8.113 -18.663 188 HG1 THR 24 HG1 THR 24 16.576 8.526 -17.056 189 HG21 THR 24 3HG2 THR 24 14.949 9.023 -15.908 190 HG22 THR 24 1HG2 THR 24 13.408 8.205 -16.163 191 HG23 THR 24 2HG2 THR 24 13.788 9.672 -17.066 192 H MET 25 H MET 25 17.023 6.537 -16.341 193 HA MET 25 HA MET 25 16.042 6.409 -13.599 194 HB2 MET 25 1HB MET 25 18.223 4.528 -14.473 195 HB3 MET 25 2HB MET 25 17.323 4.527 -12.963 196 HG2 MET 25 1HG MET 25 15.310 3.844 -14.153 197 HG3 MET 25 2HG MET 25 16.199 3.862 -15.673 198 HE1 MET 25 3HE MET 25 14.941 0.674 -13.596 199 HE2 MET 25 1HE MET 25 14.465 1.834 -14.836 200 HE3 MET 25 2HE MET 25 15.330 0.366 -15.289 201 H LYS 26 H LYS 26 17.754 6.870 -12.010 202 HA LYS 26 HA LYS 26 19.804 8.637 -13.173 203 HB2 LYS 26 1HB LYS 26 17.873 9.430 -11.522 204 HB3 LYS 26 2HB LYS 26 19.011 8.860 -10.308 205 HG2 LYS 26 1HG LYS 26 20.632 10.431 -10.924 206 HG3 LYS 26 2HG LYS 26 19.836 10.776 -12.461 207 HD2 LYS 26 1HD LYS 26 19.205 12.611 -11.233 208 HD3 LYS 26 2HD LYS 26 17.856 11.521 -10.904 209 HE2 LYS 26 1HE LYS 26 18.548 11.101 -8.750 210 HE3 LYS 26 2HE LYS 26 20.235 11.468 -9.107 211 HZ1 LYS 26 3HZ LYS 26 19.931 13.656 -8.738 212 HZ2 LYS 26 1HZ LYS 26 18.641 13.118 -7.786 213 HZ3 LYS 26 2HZ LYS 26 18.357 13.674 -9.358 214 H LYS 27 H LYS 27 21.849 8.790 -12.017 215 HA LYS 27 HA LYS 27 23.099 6.359 -11.621 216 HB2 LYS 27 1HB LYS 27 23.894 8.990 -10.362 217 HB3 LYS 27 2HB LYS 27 24.947 7.611 -10.647 218 HG2 LYS 27 1HG LYS 27 25.496 8.556 -12.574 219 HG3 LYS 27 2HG LYS 27 23.867 8.176 -13.139 220 HD2 LYS 27 1HD LYS 27 23.139 10.316 -12.898 221 HD3 LYS 27 2HD LYS 27 24.180 10.628 -11.507 222 HE2 LYS 27 1HE LYS 27 25.584 10.180 -14.052 223 HE3 LYS 27 2HE LYS 27 24.590 11.634 -13.992 224 HZ1 LYS 27 3HZ LYS 27 26.389 11.075 -11.746 225 HZ2 LYS 27 1HZ LYS 27 25.877 12.561 -12.372 226 HZ3 LYS 27 2HZ LYS 27 27.059 11.663 -13.184 227 H GLY 28 H GLY 28 22.455 4.870 -10.189 228 HA2 GLY 28 1HA GLY 28 22.572 3.982 -7.998 229 HA3 GLY 28 2HA GLY 28 22.470 5.616 -7.358 230 H ASP 29 H ASP 29 20.270 4.676 -9.850 231 HA ASP 29 HA ASP 29 18.049 4.996 -8.011 232 HB2 ASP 29 1HB ASP 29 18.098 6.040 -10.303 233 HB3 ASP 29 2HB ASP 29 17.942 4.419 -10.975 234 H ILE 30 H ILE 30 16.177 3.465 -8.186 235 HA ILE 30 HA ILE 30 16.982 0.703 -8.734 236 HB ILE 30 HB ILE 30 15.706 1.570 -6.137 237 HG12 ILE 30 1HG1 ILE 30 18.464 0.455 -6.693 238 HG13 ILE 30 2HG1 ILE 30 18.103 2.122 -6.259 239 HG21 ILE 30 1HG2 ILE 30 15.695 -0.924 -7.510 240 HG22 ILE 30 2HG2 ILE 30 16.670 -1.087 -6.050 241 HG23 ILE 30 3HG2 ILE 30 15.003 -0.524 -5.938 242 HD11 ILE 30 3HD1 ILE 30 18.455 -0.194 -4.575 243 HD12 ILE 30 1HD1 ILE 30 18.450 1.519 -4.157 244 HD13 ILE 30 2HD1 ILE 30 16.930 0.629 -4.247 245 H LEU 31 H LEU 31 15.429 -0.457 -9.696 246 HA LEU 31 HA LEU 31 12.646 0.462 -9.499 247 HB2 LEU 31 1HB LEU 31 14.160 -0.203 -12.014 248 HB3 LEU 31 2HB LEU 31 12.402 -0.103 -11.937 249 HG LEU 31 HG LEU 31 13.142 1.942 -12.847 250 HD11 LEU 31 1HD1 LEU 31 12.927 3.002 -10.128 251 HD12 LEU 31 2HD1 LEU 31 11.668 1.846 -10.560 252 HD13 LEU 31 3HD1 LEU 31 11.916 3.287 -11.545 253 HD21 LEU 31 3HD2 LEU 31 15.070 2.986 -12.367 254 HD22 LEU 31 1HD2 LEU 31 15.506 1.460 -11.598 255 HD23 LEU 31 2HD2 LEU 31 14.864 2.785 -10.627 256 H THR 32 H THR 32 11.064 -1.147 -9.775 257 HA THR 32 HA THR 32 11.934 -3.780 -8.986 258 HB THR 32 HB THR 32 9.112 -3.539 -9.703 259 HG1 THR 32 HG1 THR 32 9.893 -1.957 -7.502 260 HG21 THR 32 3HG2 THR 32 8.786 -4.680 -7.719 261 HG22 THR 32 1HG2 THR 32 10.182 -3.938 -6.939 262 HG23 THR 32 2HG2 THR 32 10.415 -5.195 -8.154 263 H LEU 33 H LEU 33 12.101 -5.554 -10.221 264 HA LEU 33 HA LEU 33 11.939 -5.292 -13.071 265 HB2 LEU 33 1HB LEU 33 13.585 -6.689 -11.655 266 HB3 LEU 33 2HB LEU 33 12.292 -7.887 -11.616 267 HG LEU 33 HG LEU 33 14.030 -8.312 -13.343 268 HD11 LEU 33 1HD1 LEU 33 11.699 -7.836 -15.024 269 HD12 LEU 33 2HD1 LEU 33 11.306 -8.615 -13.492 270 HD13 LEU 33 3HD1 LEU 33 12.487 -9.349 -14.576 271 HD21 LEU 33 3HD2 LEU 33 14.224 -5.777 -13.825 272 HD22 LEU 33 1HD2 LEU 33 12.862 -6.047 -14.913 273 HD23 LEU 33 2HD2 LEU 33 14.376 -6.918 -15.162 274 H LEU 34 H LEU 34 10.386 -5.974 -14.432 275 HA LEU 34 HA LEU 34 8.037 -7.291 -13.240 276 HB2 LEU 34 1HB LEU 34 8.361 -5.141 -15.239 277 HB3 LEU 34 2HB LEU 34 7.079 -6.309 -15.551 278 HG LEU 34 HG LEU 34 6.284 -4.278 -14.398 279 HD11 LEU 34 1HD1 LEU 34 5.536 -5.811 -12.252 280 HD12 LEU 34 2HD1 LEU 34 5.945 -7.020 -13.469 281 HD13 LEU 34 3HD1 LEU 34 4.739 -5.783 -13.826 282 HD21 LEU 34 3HD2 LEU 34 6.868 -4.007 -11.998 283 HD22 LEU 34 1HD2 LEU 34 8.216 -3.705 -13.094 284 HD23 LEU 34 2HD2 LEU 34 8.126 -5.227 -12.207 285 H ASN 35 H ASN 35 9.990 -7.103 -16.203 286 HA ASN 35 HA ASN 35 9.556 -9.954 -16.625 287 HB2 ASN 35 1HB ASN 35 8.351 -7.851 -18.252 288 HB3 ASN 35 2HB ASN 35 9.331 -8.963 -19.204 289 HD21 ASN 35 2HD2 ASN 35 8.904 -11.294 -18.826 290 HD22 ASN 35 1HD2 ASN 35 7.264 -11.777 -18.577 291 H SER 36 H SER 36 11.545 -10.746 -16.736 292 HA SER 36 HA SER 36 13.614 -9.177 -18.125 293 HB2 SER 36 1HB SER 36 15.198 -10.711 -16.798 294 HB3 SER 36 2HB SER 36 14.335 -9.465 -15.897 295 HG SER 36 HG SER 36 14.372 -11.834 -15.160 296 H THR 37 H THR 37 11.706 -10.875 -19.462 297 HA THR 37 HA THR 37 12.771 -13.405 -20.091 298 HB THR 37 HB THR 37 10.465 -12.921 -20.609 299 HG1 THR 37 HG1 THR 37 11.908 -14.254 -22.101 300 HG21 THR 37 3HG2 THR 37 11.473 -10.477 -21.557 301 HG22 THR 37 1HG2 THR 37 9.791 -11.002 -21.522 302 HG23 THR 37 2HG2 THR 37 10.775 -11.290 -22.957 303 H ASN 38 H ASN 38 13.554 -10.213 -21.185 304 HA ASN 38 HA ASN 38 15.139 -11.251 -23.413 305 HB2 ASN 38 1HB ASN 38 13.578 -9.060 -23.314 306 HB3 ASN 38 2HB ASN 38 15.109 -8.344 -22.818 307 HD21 ASN 38 2HD2 ASN 38 13.376 -9.928 -25.376 308 HD22 ASN 38 1HD2 ASN 38 14.497 -9.559 -26.638 309 H LYS 39 H LYS 39 17.314 -10.061 -23.706 310 HA LYS 39 HA LYS 39 18.715 -10.062 -21.112 311 HB2 LYS 39 1HB LYS 39 20.651 -10.957 -22.196 312 HB3 LYS 39 2HB LYS 39 19.278 -11.950 -22.664 313 HG2 LYS 39 1HG LYS 39 20.076 -11.700 -24.734 314 HG3 LYS 39 2HG LYS 39 19.311 -10.111 -24.663 315 HD2 LYS 39 1HD LYS 39 21.451 -9.571 -25.338 316 HD3 LYS 39 2HD LYS 39 21.572 -9.380 -23.588 317 HE2 LYS 39 1HE LYS 39 23.463 -10.615 -24.069 318 HE3 LYS 39 2HE LYS 39 22.306 -11.871 -23.630 319 HZ1 LYS 39 3HZ LYS 39 21.872 -11.709 -26.242 320 HZ2 LYS 39 1HZ LYS 39 23.011 -12.757 -25.560 321 HZ3 LYS 39 2HZ LYS 39 23.507 -11.276 -26.208 322 H ASP 40 H ASP 40 18.132 -8.384 -24.083 323 HA ASP 40 HA ASP 40 20.288 -6.503 -23.764 324 HB2 ASP 40 1HB ASP 40 17.886 -6.550 -25.598 325 HB3 ASP 40 2HB ASP 40 19.119 -5.293 -25.636 326 H TRP 41 H TRP 41 16.734 -6.218 -23.625 327 HA TRP 41 HA TRP 41 17.095 -3.986 -21.734 328 HB2 TRP 41 1HB TRP 41 14.843 -4.261 -23.734 329 HB3 TRP 41 2HB TRP 41 15.149 -2.895 -22.665 330 HD1 TRP 41 HD1 TRP 41 16.730 -4.649 -25.728 331 HE1 TRP 41 HE1 TRP 41 18.091 -2.899 -27.035 332 HE3 TRP 41 HE3 TRP 41 16.224 -0.683 -22.542 333 HZ2 TRP 41 HZ2 TRP 41 18.850 -0.195 -26.752 334 HZ3 TRP 41 HZ3 TRP 41 17.299 1.450 -23.134 335 HH2 TRP 41 HH2 TRP 41 18.585 1.687 -25.196 336 H TRP 42 H TRP 42 15.856 -3.979 -19.915 337 HA TRP 42 HA TRP 42 14.100 -6.313 -19.529 338 HB2 TRP 42 1HB TRP 42 15.675 -4.739 -17.479 339 HB3 TRP 42 2HB TRP 42 14.592 -6.079 -17.113 340 HD1 TRP 42 HD1 TRP 42 15.760 -7.739 -19.800 341 HE1 TRP 42 HE1 TRP 42 17.980 -8.999 -19.465 342 HE3 TRP 42 HE3 TRP 42 17.475 -5.276 -15.662 343 HZ2 TRP 42 HZ2 TRP 42 20.168 -8.954 -17.683 344 HZ3 TRP 42 HZ3 TRP 42 19.640 -5.945 -14.703 345 HH2 TRP 42 HH2 TRP 42 20.957 -7.747 -15.694 346 H LYS 43 H LYS 43 12.119 -6.048 -18.486 347 HA LYS 43 HA LYS 43 10.994 -3.375 -18.734 348 HB2 LYS 43 1HB LYS 43 9.772 -5.275 -19.696 349 HB3 LYS 43 2HB LYS 43 9.671 -6.022 -18.107 350 HG2 LYS 43 1HG LYS 43 7.608 -5.061 -18.248 351 HG3 LYS 43 2HG LYS 43 8.508 -3.759 -17.466 352 HD2 LYS 43 1HD LYS 43 7.704 -2.468 -19.112 353 HD3 LYS 43 2HD LYS 43 8.930 -3.241 -20.120 354 HE2 LYS 43 1HE LYS 43 6.033 -4.020 -19.830 355 HE3 LYS 43 2HE LYS 43 6.826 -3.362 -21.260 356 HZ1 LYS 43 3HZ LYS 43 7.251 -6.032 -20.041 357 HZ2 LYS 43 1HZ LYS 43 8.238 -5.396 -21.259 358 HZ3 LYS 43 2HZ LYS 43 6.600 -5.688 -21.564 359 H VAL 44 H VAL 44 11.118 -2.055 -17.048 360 HA VAL 44 HA VAL 44 10.756 -3.190 -14.350 361 HB VAL 44 HB VAL 44 12.173 -1.423 -13.457 362 HG11 VAL 44 1HG1 VAL 44 13.157 -3.583 -14.217 363 HG12 VAL 44 2HG1 VAL 44 13.593 -2.794 -15.735 364 HG13 VAL 44 3HG1 VAL 44 14.294 -2.235 -14.215 365 HG21 VAL 44 3HG2 VAL 44 11.771 -0.279 -16.061 366 HG22 VAL 44 1HG2 VAL 44 12.436 0.461 -14.605 367 HG23 VAL 44 2HG2 VAL 44 13.495 -0.411 -15.714 368 H GLU 45 H GLU 45 9.664 -1.867 -12.807 369 HA GLU 45 HA GLU 45 7.786 0.014 -14.065 370 HB2 GLU 45 1HB GLU 45 6.791 -1.977 -12.984 371 HB3 GLU 45 2HB GLU 45 7.513 -1.490 -11.457 372 HG2 GLU 45 1HG GLU 45 6.075 0.291 -11.189 373 HG3 GLU 45 2HG GLU 45 5.708 0.388 -12.910 374 H VAL 46 H VAL 46 8.016 2.101 -13.645 375 HA VAL 46 HA VAL 46 9.670 2.913 -11.362 376 HB VAL 46 HB VAL 46 8.736 4.733 -13.567 377 HG11 VAL 46 1HG1 VAL 46 9.689 6.127 -12.060 378 HG12 VAL 46 2HG1 VAL 46 10.677 4.854 -11.342 379 HG13 VAL 46 3HG1 VAL 46 11.170 5.603 -12.861 380 HG21 VAL 46 3HG2 VAL 46 11.143 2.918 -13.560 381 HG22 VAL 46 1HG2 VAL 46 9.807 2.925 -14.712 382 HG23 VAL 46 2HG2 VAL 46 10.935 4.280 -14.661 383 H LYS 47 H LYS 47 9.024 4.815 -10.130 384 HA LYS 47 HA LYS 47 6.095 4.988 -9.864 385 HB2 LYS 47 1HB LYS 47 8.297 4.858 -7.881 386 HB3 LYS 47 2HB LYS 47 6.956 5.927 -7.494 387 HG2 LYS 47 1HG LYS 47 5.430 3.962 -7.931 388 HG3 LYS 47 2HG LYS 47 6.885 2.962 -7.962 389 HD2 LYS 47 1HD LYS 47 6.166 2.792 -5.755 390 HD3 LYS 47 2HD LYS 47 7.408 4.044 -5.679 391 HE2 LYS 47 1HE LYS 47 5.827 5.759 -5.487 392 HE3 LYS 47 2HE LYS 47 4.514 4.735 -6.065 393 HZ1 LYS 47 3HZ LYS 47 4.038 4.281 -3.965 394 HZ2 LYS 47 1HZ LYS 47 5.366 5.176 -3.417 395 HZ3 LYS 47 2HZ LYS 47 5.545 3.534 -3.781 396 H ALA 48 H ALA 48 5.161 7.025 -9.389 397 HA ALA 48 HA ALA 48 6.794 9.404 -9.455 398 HB1 ALA 48 1HB ALA 48 5.423 10.301 -11.439 399 HB2 ALA 48 2HB ALA 48 6.759 9.198 -11.773 400 HB3 ALA 48 3HB ALA 48 5.099 8.603 -11.792 401 H THR 49 H THR 49 5.377 11.404 -9.395 402 HA THR 49 HA THR 49 2.782 10.852 -8.126 403 HB THR 49 HB THR 49 4.738 12.904 -7.079 404 HG1 THR 49 HG1 THR 49 5.168 11.432 -5.440 405 HG21 THR 49 3HG2 THR 49 3.062 12.492 -5.060 406 HG22 THR 49 1HG2 THR 49 1.973 12.064 -6.378 407 HG23 THR 49 2HG2 THR 49 2.714 13.663 -6.332 408 H ALA 50 H ALA 50 1.172 12.307 -8.549 409 HA ALA 50 HA ALA 50 1.683 14.882 -9.699 410 HB1 ALA 50 1HB ALA 50 0.531 12.726 -11.464 411 HB2 ALA 50 2HB ALA 50 0.551 14.447 -11.849 412 HB3 ALA 50 3HB ALA 50 2.068 13.563 -11.685 413 H ASN 51 H ASN 51 -0.053 16.225 -9.499 414 HA ASN 51 HA ASN 51 -2.040 16.991 -8.696 415 HB2 ASN 51 1HB ASN 51 -3.259 14.381 -9.580 416 HB3 ASN 51 2HB ASN 51 -4.002 15.977 -9.539 417 HD21 ASN 51 2HD2 ASN 51 -1.990 13.800 -11.294 418 HD22 ASN 51 1HD2 ASN 51 -1.858 14.745 -12.734 419 H GLY 52 H GLY 52 -0.326 15.433 -6.918 420 HA2 GLY 52 1HA GLY 52 -0.435 14.820 -4.698 421 HA3 GLY 52 2HA GLY 52 -2.160 15.155 -4.743 422 H LYS 53 H LYS 53 -0.947 12.984 -7.109 423 HA LYS 53 HA LYS 53 -1.802 10.674 -5.501 424 HB2 LYS 53 1HB LYS 53 -2.510 11.169 -8.399 425 HB3 LYS 53 2HB LYS 53 -2.915 9.728 -7.475 426 HG2 LYS 53 1HG LYS 53 -3.864 12.499 -6.786 427 HG3 LYS 53 2HG LYS 53 -4.789 11.335 -7.737 428 HD2 LYS 53 1HD LYS 53 -3.741 10.655 -5.006 429 HD3 LYS 53 2HD LYS 53 -5.278 11.495 -5.222 430 HE2 LYS 53 1HE LYS 53 -6.026 9.341 -5.212 431 HE3 LYS 53 2HE LYS 53 -5.700 9.524 -6.935 432 HZ1 LYS 53 3HZ LYS 53 -4.041 8.048 -6.853 433 HZ2 LYS 53 1HZ LYS 53 -4.729 7.548 -5.390 434 HZ3 LYS 53 2HZ LYS 53 -3.433 8.636 -5.388 435 H THR 54 H THR 54 -0.572 8.872 -5.686 436 HA THR 54 HA THR 54 1.873 9.111 -7.260 437 HB THR 54 HB THR 54 2.283 6.821 -5.960 438 HG1 THR 54 HG1 THR 54 1.112 6.646 -4.137 439 HG21 THR 54 3HG2 THR 54 3.751 8.656 -5.662 440 HG22 THR 54 1HG2 THR 54 3.189 8.224 -4.048 441 HG23 THR 54 2HG2 THR 54 2.503 9.623 -4.876 442 H TYR 55 H TYR 55 2.215 8.029 -9.089 443 HA TYR 55 HA TYR 55 0.557 5.667 -9.666 444 HB2 TYR 55 1HB TYR 55 0.200 6.373 -11.920 445 HB3 TYR 55 2HB TYR 55 -0.236 7.727 -10.884 446 HD1 TYR 55 HD1 TYR 55 1.458 9.603 -10.591 447 HD2 TYR 55 HD2 TYR 55 1.813 6.623 -13.607 448 HE1 TYR 55 HE1 TYR 55 2.996 11.060 -11.842 449 HE2 TYR 55 HE2 TYR 55 3.352 8.070 -14.865 450 HH TYR 55 HH TYR 55 3.846 11.379 -14.045 451 H GLU 56 H GLU 56 1.494 4.142 -11.133 452 HA GLU 56 HA GLU 56 4.430 4.345 -11.293 453 HB2 GLU 56 1HB GLU 56 2.882 1.762 -11.163 454 HB3 GLU 56 2HB GLU 56 4.609 2.002 -10.940 455 HG2 GLU 56 1HG GLU 56 3.758 3.524 -8.946 456 HG3 GLU 56 2HG GLU 56 2.371 2.441 -9.053 457 H ARG 57 H ARG 57 5.420 3.893 -13.203 458 HA ARG 57 HA ARG 57 3.681 3.139 -15.460 459 HB2 ARG 57 1HB ARG 57 5.227 4.547 -16.875 460 HB3 ARG 57 2HB ARG 57 4.199 5.440 -15.762 461 HG2 ARG 57 1HG ARG 57 6.020 5.799 -14.258 462 HG3 ARG 57 2HG ARG 57 7.062 4.720 -15.187 463 HD2 ARG 57 1HD ARG 57 7.319 6.238 -16.912 464 HD3 ARG 57 2HD ARG 57 5.831 7.097 -16.512 465 HE ARG 57 HE ARG 57 7.442 7.525 -14.360 466 HH11 ARG 57 1HH1 ARG 57 7.770 8.014 -17.792 467 HH12 ARG 57 2HH1 ARG 57 8.831 9.374 -17.628 468 HH21 ARG 57 1HH2 ARG 57 8.837 9.315 -14.132 469 HH22 ARG 57 2HH2 ARG 57 9.438 10.113 -15.546 470 H GLN 58 H GLN 58 4.356 1.505 -16.721 471 HA GLN 58 HA GLN 58 6.862 0.193 -15.997 472 HB2 GLN 58 1HB GLN 58 4.439 -0.700 -17.549 473 HB3 GLN 58 2HB GLN 58 5.921 -1.646 -17.502 474 HG2 GLN 58 1HG GLN 58 5.722 -2.040 -15.195 475 HG3 GLN 58 2HG GLN 58 4.493 -0.791 -15.008 476 HE21 GLN 58 2HE2 GLN 58 4.991 -3.675 -17.022 477 HE22 GLN 58 1HE2 GLN 58 3.411 -4.328 -16.775 478 H GLY 59 H GLY 59 8.565 -0.064 -17.355 479 HA2 GLY 59 1HA GLY 59 8.305 0.567 -20.179 480 HA3 GLY 59 2HA GLY 59 9.293 1.683 -19.248 481 H PHE 60 H PHE 60 10.751 0.735 -21.069 482 HA PHE 60 HA PHE 60 12.071 -1.696 -20.063 483 HB2 PHE 60 1HB PHE 60 12.126 -0.474 -22.830 484 HB3 PHE 60 2HB PHE 60 13.026 -1.906 -22.343 485 HD1 PHE 60 HD2 PHE 60 9.641 -0.538 -22.872 486 HD2 PHE 60 HD1 PHE 60 11.998 -4.028 -22.253 487 HE1 PHE 60 HE2 PHE 60 7.706 -1.943 -23.449 488 HE2 PHE 60 HE1 PHE 60 10.066 -5.439 -22.830 489 HZ PHE 60 HZ PHE 60 7.916 -4.396 -23.428 490 H VAL 61 H VAL 61 14.320 -1.746 -19.852 491 HA VAL 61 HA VAL 61 15.754 0.792 -20.161 492 HB VAL 61 HB VAL 61 16.857 0.406 -17.935 493 HG11 VAL 61 1HG1 VAL 61 14.043 0.789 -17.211 494 HG12 VAL 61 2HG1 VAL 61 15.426 1.868 -17.012 495 HG13 VAL 61 3HG1 VAL 61 14.592 1.779 -18.564 496 HG21 VAL 61 3HG2 VAL 61 14.502 -1.284 -17.202 497 HG22 VAL 61 1HG2 VAL 61 15.936 -2.028 -17.910 498 HG23 VAL 61 2HG2 VAL 61 16.064 -1.129 -16.398 499 HA PRO 62 HA PRO 62 19.033 -1.691 -21.699 500 HB2 PRO 62 1HB PRO 62 21.192 -0.220 -20.961 501 HB3 PRO 62 2HB PRO 62 20.093 0.270 -22.256 502 HG2 PRO 62 1HG PRO 62 20.188 1.182 -19.407 503 HG3 PRO 62 2HG PRO 62 19.958 2.140 -20.881 504 HD2 PRO 62 1HD PRO 62 17.899 1.416 -19.278 505 HD3 PRO 62 2HD PRO 62 17.723 1.598 -21.035 506 H ALA 63 H ALA 63 19.431 -3.607 -20.771 507 HA ALA 63 HA ALA 63 19.895 -4.030 -18.029 508 HB1 ALA 63 1HB ALA 63 19.043 -5.820 -19.355 509 HB2 ALA 63 2HB ALA 63 20.448 -5.775 -20.421 510 HB3 ALA 63 3HB ALA 63 20.626 -6.311 -18.750 511 H ALA 64 H ALA 64 21.942 -2.852 -20.454 512 HA ALA 64 HA ALA 64 24.419 -3.847 -19.389 513 HB1 ALA 64 1HB ALA 64 25.463 -2.279 -20.982 514 HB2 ALA 64 2HB ALA 64 24.267 -3.329 -21.743 515 HB3 ALA 64 3HB ALA 64 23.863 -1.651 -21.379 516 H TYR 65 H TYR 65 22.329 -1.194 -18.732 517 HA TYR 65 HA TYR 65 24.423 0.153 -17.170 518 HB2 TYR 65 1HB TYR 65 21.731 1.168 -18.104 519 HB3 TYR 65 2HB TYR 65 22.875 2.091 -17.136 520 HD1 TYR 65 HD1 TYR 65 25.350 0.954 -18.669 521 HD2 TYR 65 HD2 TYR 65 21.709 2.769 -19.914 522 HE1 TYR 65 HE1 TYR 65 26.452 1.744 -20.721 523 HE2 TYR 65 HE2 TYR 65 22.801 3.563 -21.970 524 HH TYR 65 HH TYR 65 25.298 2.445 -23.276 525 H VAL 66 H VAL 66 21.489 -1.637 -16.942 526 HA VAL 66 HA VAL 66 21.352 -1.080 -14.050 527 HB VAL 66 HB VAL 66 19.032 -1.593 -14.063 528 HG11 VAL 66 1HG1 VAL 66 18.139 0.018 -15.757 529 HG12 VAL 66 2HG1 VAL 66 19.454 0.650 -14.765 530 HG13 VAL 66 3HG1 VAL 66 19.768 0.131 -16.421 531 HG21 VAL 66 3HG2 VAL 66 19.012 -3.496 -15.536 532 HG22 VAL 66 1HG2 VAL 66 17.856 -2.305 -16.132 533 HG23 VAL 66 2HG2 VAL 66 19.424 -2.482 -16.919 534 H LYS 67 H LYS 67 21.263 -2.774 -12.613 535 HA LYS 67 HA LYS 67 21.399 -5.498 -13.692 536 HB2 LYS 67 1HB LYS 67 23.390 -6.042 -12.668 537 HB3 LYS 67 2HB LYS 67 23.699 -4.369 -13.116 538 HG2 LYS 67 1HG LYS 67 23.060 -3.681 -10.829 539 HG3 LYS 67 2HG LYS 67 22.881 -5.384 -10.402 540 HD2 LYS 67 1HD LYS 67 25.245 -5.755 -10.987 541 HD3 LYS 67 2HD LYS 67 25.410 -4.036 -11.352 542 HE2 LYS 67 1HE LYS 67 24.772 -3.521 -9.019 543 HE3 LYS 67 2HE LYS 67 24.719 -5.249 -8.678 544 HZ1 LYS 67 3HZ LYS 67 26.847 -4.975 -8.111 545 HZ2 LYS 67 1HZ LYS 67 26.989 -3.493 -8.913 546 HZ3 LYS 67 2HZ LYS 67 27.164 -4.939 -9.772 547 H LYS 68 H LYS 68 20.640 -7.111 -12.318 548 HA LYS 68 HA LYS 68 18.678 -6.294 -10.428 549 HB2 LYS 68 1HB LYS 68 19.756 -8.947 -11.327 550 HB3 LYS 68 2HB LYS 68 18.661 -8.853 -9.955 551 HG2 LYS 68 1HG LYS 68 16.939 -7.891 -11.319 552 HG3 LYS 68 2HG LYS 68 18.040 -7.769 -12.693 553 HD2 LYS 68 1HD LYS 68 17.544 -10.430 -11.429 554 HD3 LYS 68 2HD LYS 68 16.347 -9.754 -12.535 555 HE2 LYS 68 1HE LYS 68 17.628 -10.890 -14.037 556 HE3 LYS 68 2HE LYS 68 18.501 -9.358 -14.028 557 HZ1 LYS 68 3HZ LYS 68 19.331 -11.313 -12.045 558 HZ2 LYS 68 1HZ LYS 68 20.263 -10.266 -12.992 559 HZ3 LYS 68 2HZ LYS 68 19.673 -11.707 -13.654 560 H LEU 69 H LEU 69 19.200 -5.504 -8.497 561 HA LEU 69 HA LEU 69 21.543 -6.558 -7.092 562 HB2 LEU 69 1HB LEU 69 21.675 -4.580 -5.958 563 HB3 LEU 69 2HB LEU 69 20.959 -4.038 -7.475 564 HG LEU 69 HG LEU 69 19.544 -4.461 -4.845 565 HD11 LEU 69 1HD1 LEU 69 19.494 -1.904 -6.333 566 HD12 LEU 69 2HD1 LEU 69 21.006 -2.342 -5.537 567 HD13 LEU 69 3HD1 LEU 69 19.521 -2.210 -4.596 568 HD21 LEU 69 3HD2 LEU 69 17.603 -3.446 -6.161 569 HD22 LEU 69 1HD2 LEU 69 17.977 -5.146 -6.444 570 HD23 LEU 69 2HD2 LEU 69 18.494 -3.925 -7.606 571 H ASP 70 H ASP 70 18.614 -7.629 -7.355 572 HA ASP 70 HA ASP 70 17.377 -7.622 -4.871 573 HB2 ASP 70 1HB ASP 70 16.075 -9.405 -5.639 574 HB3 ASP 70 2HB ASP 70 16.580 -8.609 -7.127 Start of MODEL 15 1 H1 MET 1 H MET 1 1.491 -1.044 -3.157 2 HA MET 1 HA MET 1 1.843 1.444 -2.155 3 HB2 MET 1 1HB MET 1 1.917 -1.213 -0.741 4 HB3 MET 1 2HB MET 1 1.988 0.307 0.141 5 HG2 MET 1 1HG MET 1 -0.175 0.882 -0.404 6 HG3 MET 1 2HG MET 1 -0.205 -0.163 -1.822 7 HE1 MET 1 3HE MET 1 0.363 -0.025 1.844 8 HE2 MET 1 1HE MET 1 -0.740 -1.207 2.549 9 HE3 MET 1 2HE MET 1 0.848 -1.716 1.974 10 H ASP 2 H ASP 2 4.103 1.400 -3.518 11 HA ASP 2 HA ASP 2 6.352 1.757 -3.459 12 HB2 ASP 2 1HB ASP 2 6.012 2.340 -0.521 13 HB3 ASP 2 2HB ASP 2 7.165 3.049 -1.648 14 H GLU 3 H GLU 3 5.539 -0.931 -3.079 15 HA GLU 3 HA GLU 3 7.719 -1.911 -1.357 16 HB2 GLU 3 1HB GLU 3 6.266 -4.024 -1.186 17 HB3 GLU 3 2HB GLU 3 5.786 -2.620 -0.243 18 HG2 GLU 3 1HG GLU 3 3.848 -3.620 -1.245 19 HG3 GLU 3 2HG GLU 3 4.142 -2.044 -1.978 20 H THR 4 H THR 4 7.978 -4.443 -2.024 21 HA THR 4 HA THR 4 7.827 -4.934 -4.844 22 HB THR 4 HB THR 4 10.482 -5.289 -4.782 23 HG1 THR 4 HG1 THR 4 9.992 -3.028 -3.112 24 HG21 THR 4 3HG2 THR 4 10.302 -3.883 -6.500 25 HG22 THR 4 1HG2 THR 4 10.072 -2.523 -5.401 26 HG23 THR 4 2HG2 THR 4 8.681 -3.457 -5.952 27 H GLY 5 H GLY 5 7.224 -7.000 -4.804 28 HA2 GLY 5 1HA GLY 5 8.723 -8.839 -3.042 29 HA3 GLY 5 2HA GLY 5 6.987 -8.975 -3.278 30 H LYS 6 H LYS 6 9.348 -8.244 -5.786 31 HA LYS 6 HA LYS 6 9.003 -10.938 -6.893 32 HB2 LYS 6 1HB LYS 6 9.034 -8.794 -8.904 33 HB3 LYS 6 2HB LYS 6 8.069 -10.262 -8.837 34 HG2 LYS 6 1HG LYS 6 6.457 -8.647 -8.632 35 HG3 LYS 6 2HG LYS 6 6.799 -9.007 -6.939 36 HD2 LYS 6 1HD LYS 6 7.942 -7.025 -6.613 37 HD3 LYS 6 2HD LYS 6 8.328 -6.847 -8.326 38 HE2 LYS 6 1HE LYS 6 6.689 -5.284 -8.198 39 HE3 LYS 6 2HE LYS 6 5.669 -6.693 -8.484 40 HZ1 LYS 6 3HZ LYS 6 4.749 -5.504 -6.674 41 HZ2 LYS 6 1HZ LYS 6 6.242 -5.382 -5.887 42 HZ3 LYS 6 2HZ LYS 6 5.475 -6.884 -6.017 43 H GLU 7 H GLU 7 10.558 -7.868 -7.840 44 HA GLU 7 HA GLU 7 13.187 -8.719 -7.324 45 HB2 GLU 7 1HB GLU 7 12.752 -10.279 -9.176 46 HB3 GLU 7 2HB GLU 7 12.342 -8.925 -10.220 47 HG2 GLU 7 1HG GLU 7 14.525 -8.228 -10.406 48 HG3 GLU 7 2HG GLU 7 15.012 -9.001 -8.899 49 H LEU 8 H LEU 8 14.775 -7.158 -7.951 50 HA LEU 8 HA LEU 8 13.779 -4.693 -9.163 51 HB2 LEU 8 1HB LEU 8 14.845 -4.984 -6.384 52 HB3 LEU 8 2HB LEU 8 15.088 -3.481 -7.273 53 HG LEU 8 HG LEU 8 12.313 -4.500 -7.135 54 HD11 LEU 8 1HD1 LEU 8 12.615 -4.914 -4.907 55 HD12 LEU 8 2HD1 LEU 8 12.237 -3.193 -4.856 56 HD13 LEU 8 3HD1 LEU 8 13.913 -3.731 -4.747 57 HD21 LEU 8 3HD2 LEU 8 12.947 -1.748 -6.381 58 HD22 LEU 8 1HD2 LEU 8 11.815 -2.365 -7.584 59 HD23 LEU 8 2HD2 LEU 8 13.525 -2.201 -7.985 60 H VAL 9 H VAL 9 15.416 -3.327 -9.994 61 HA VAL 9 HA VAL 9 18.061 -4.613 -10.214 62 HB VAL 9 HB VAL 9 18.282 -3.762 -12.458 63 HG11 VAL 9 1HG1 VAL 9 16.532 -5.762 -11.695 64 HG12 VAL 9 2HG1 VAL 9 15.611 -4.821 -12.871 65 HG13 VAL 9 3HG1 VAL 9 17.178 -5.500 -13.314 66 HG21 VAL 9 3HG2 VAL 9 16.081 -2.067 -11.652 67 HG22 VAL 9 1HG2 VAL 9 17.220 -1.877 -12.986 68 HG23 VAL 9 2HG2 VAL 9 15.763 -2.849 -13.201 69 H LEU 10 H LEU 10 19.874 -3.321 -10.101 70 HA LEU 10 HA LEU 10 19.450 -0.697 -8.905 71 HB2 LEU 10 1HB LEU 10 20.968 -2.387 -7.873 72 HB3 LEU 10 2HB LEU 10 22.026 -2.217 -9.273 73 HG LEU 10 HG LEU 10 21.334 0.180 -7.621 74 HD11 LEU 10 1HD1 LEU 10 23.568 -1.742 -6.995 75 HD12 LEU 10 2HD1 LEU 10 22.080 -1.590 -6.062 76 HD13 LEU 10 3HD1 LEU 10 23.200 -0.232 -6.162 77 HD21 LEU 10 3HD2 LEU 10 24.034 0.019 -8.502 78 HD22 LEU 10 1HD2 LEU 10 22.774 1.149 -9.000 79 HD23 LEU 10 2HD2 LEU 10 22.977 -0.379 -9.858 80 H ALA 11 H ALA 11 19.853 1.177 -9.902 81 HA ALA 11 HA ALA 11 20.712 1.109 -12.679 82 HB1 ALA 11 1HB ALA 11 20.223 3.676 -12.356 83 HB2 ALA 11 2HB ALA 11 18.911 2.511 -12.538 84 HB3 ALA 11 3HB ALA 11 19.352 3.099 -10.935 85 H LEU 12 H LEU 12 22.737 1.465 -13.285 86 HA LEU 12 HA LEU 12 24.638 2.556 -11.359 87 HB2 LEU 12 1HB LEU 12 25.251 1.484 -14.099 88 HB3 LEU 12 2HB LEU 12 26.352 1.677 -12.736 89 HG LEU 12 HG LEU 12 24.049 -0.261 -12.696 90 HD11 LEU 12 1HD1 LEU 12 25.597 -0.720 -14.598 91 HD12 LEU 12 2HD1 LEU 12 25.531 -1.999 -13.387 92 HD13 LEU 12 3HD1 LEU 12 26.903 -0.891 -13.425 93 HD21 LEU 12 3HD2 LEU 12 25.254 0.553 -10.581 94 HD22 LEU 12 1HD2 LEU 12 26.623 -0.395 -11.162 95 HD23 LEU 12 2HD2 LEU 12 25.084 -1.186 -10.821 96 H TYR 13 H TYR 13 23.295 3.237 -14.543 97 HA TYR 13 HA TYR 13 24.461 5.934 -14.373 98 HB2 TYR 13 1HB TYR 13 24.208 4.255 -16.878 99 HB3 TYR 13 2HB TYR 13 24.767 5.923 -16.818 100 HD1 TYR 13 HD1 TYR 13 25.588 2.454 -15.845 101 HD2 TYR 13 HD2 TYR 13 27.009 6.447 -16.221 102 HE1 TYR 13 HE1 TYR 13 27.890 1.662 -15.491 103 HE2 TYR 13 HE2 TYR 13 29.315 5.666 -15.869 104 HH TYR 13 HH TYR 13 30.313 2.661 -16.220 105 H ASP 14 H ASP 14 23.078 7.569 -14.709 106 HA ASP 14 HA ASP 14 20.329 7.219 -14.649 107 HB2 ASP 14 1HB ASP 14 20.306 9.651 -15.544 108 HB3 ASP 14 2HB ASP 14 21.071 9.334 -13.989 109 H TYR 15 H TYR 15 18.687 7.415 -16.191 110 HA TYR 15 HA TYR 15 19.539 7.150 -18.996 111 HB2 TYR 15 1HB TYR 15 18.817 4.969 -17.905 112 HB3 TYR 15 2HB TYR 15 17.200 5.659 -17.806 113 HD1 TYR 15 HD2 TYR 15 19.863 5.436 -20.430 114 HD2 TYR 15 HD1 TYR 15 15.768 4.872 -19.422 115 HE1 TYR 15 HE2 TYR 15 19.407 4.684 -22.727 116 HE2 TYR 15 HE1 TYR 15 15.301 4.117 -21.716 117 HH TYR 15 HH TYR 15 17.470 4.543 -24.268 118 H GLN 16 H GLN 16 17.780 7.632 -20.557 119 HA GLN 16 HA GLN 16 15.762 9.481 -19.506 120 HB2 GLN 16 1HB GLN 16 17.926 10.082 -21.469 121 HB3 GLN 16 2HB GLN 16 16.353 10.831 -21.708 122 HG2 GLN 16 1HG GLN 16 17.615 10.991 -19.022 123 HG3 GLN 16 2HG GLN 16 18.234 12.014 -20.317 124 HE21 GLN 16 2HE2 GLN 16 16.129 11.899 -17.817 125 HE22 GLN 16 1HE2 GLN 16 15.010 13.118 -18.314 126 H GLU 17 H GLU 17 13.952 8.399 -20.010 127 HA GLU 17 HA GLU 17 13.544 6.600 -22.057 128 HB2 GLU 17 1HB GLU 17 11.104 7.161 -21.813 129 HB3 GLU 17 2HB GLU 17 11.928 6.759 -20.313 130 HG2 GLU 17 1HG GLU 17 10.563 8.598 -19.819 131 HG3 GLU 17 2HG GLU 17 12.200 9.240 -19.942 132 H LYS 18 H LYS 18 12.515 6.730 -24.096 133 HA LYS 18 HA LYS 18 12.422 9.398 -25.319 134 HB2 LYS 18 1HB LYS 18 13.557 8.586 -27.313 135 HB3 LYS 18 2HB LYS 18 14.582 8.364 -25.901 136 HG2 LYS 18 1HG LYS 18 12.862 6.086 -26.672 137 HG3 LYS 18 2HG LYS 18 14.213 6.473 -27.739 138 HD2 LYS 18 1HD LYS 18 15.683 6.452 -25.687 139 HD3 LYS 18 2HD LYS 18 14.308 5.778 -24.809 140 HE2 LYS 18 1HE LYS 18 15.748 4.571 -27.165 141 HE3 LYS 18 2HE LYS 18 15.724 3.973 -25.507 142 HZ1 LYS 18 3HZ LYS 18 13.695 3.757 -27.590 143 HZ2 LYS 18 1HZ LYS 18 13.138 3.977 -26.008 144 HZ3 LYS 18 2HZ LYS 18 14.126 2.656 -26.381 145 H SER 19 H SER 19 10.669 6.879 -24.478 146 HA SER 19 HA SER 19 8.849 7.184 -26.754 147 HB2 SER 19 1HB SER 19 8.811 4.995 -27.320 148 HB3 SER 19 2HB SER 19 10.363 4.913 -26.486 149 HG SER 19 HG SER 19 9.318 3.448 -25.366 150 HA PRO 20 HA PRO 20 5.654 7.520 -23.767 151 HB2 PRO 20 1HB PRO 20 3.589 6.223 -24.959 152 HB3 PRO 20 2HB PRO 20 4.180 7.795 -25.509 153 HG2 PRO 20 1HG PRO 20 4.757 5.067 -26.599 154 HG3 PRO 20 2HG PRO 20 4.402 6.569 -27.472 155 HD2 PRO 20 1HD PRO 20 6.920 5.620 -27.171 156 HD3 PRO 20 2HD PRO 20 6.557 7.356 -27.250 157 H ARG 21 H ARG 21 6.781 4.414 -24.703 158 HA ARG 21 HA ARG 21 5.501 3.220 -22.331 159 HB2 ARG 21 1HB ARG 21 5.873 1.016 -23.586 160 HB3 ARG 21 2HB ARG 21 4.580 2.064 -24.154 161 HG2 ARG 21 1HG ARG 21 6.108 2.925 -25.903 162 HG3 ARG 21 2HG ARG 21 7.315 1.751 -25.371 163 HD2 ARG 21 1HD ARG 21 6.286 0.667 -27.145 164 HD3 ARG 21 2HD ARG 21 5.446 0.009 -25.742 165 HE ARG 21 HE ARG 21 3.956 2.175 -26.528 166 HH11 ARG 21 1HH1 ARG 21 5.045 -0.783 -28.005 167 HH12 ARG 21 2HH1 ARG 21 3.678 -0.912 -29.061 168 HH21 ARG 21 1HH2 ARG 21 2.151 2.017 -27.914 169 HH22 ARG 21 2HH2 ARG 21 2.033 0.682 -29.010 170 H GLU 22 H GLU 22 7.865 4.629 -22.074 171 HA GLU 22 HA GLU 22 9.802 2.463 -21.591 172 HB2 GLU 22 1HB GLU 22 10.197 4.500 -23.360 173 HB3 GLU 22 2HB GLU 22 10.902 5.177 -21.899 174 HG2 GLU 22 1HG GLU 22 12.744 4.136 -22.648 175 HG3 GLU 22 2HG GLU 22 12.021 2.747 -21.839 176 H VAL 23 H VAL 23 11.651 3.708 -20.092 177 HA VAL 23 HA VAL 23 10.261 5.053 -17.894 178 HB VAL 23 HB VAL 23 11.595 3.547 -16.293 179 HG11 VAL 23 1HG1 VAL 23 9.105 2.901 -17.771 180 HG12 VAL 23 2HG1 VAL 23 9.778 1.658 -16.714 181 HG13 VAL 23 3HG1 VAL 23 9.351 3.239 -16.058 182 HG21 VAL 23 3HG2 VAL 23 11.491 1.657 -18.637 183 HG22 VAL 23 1HG2 VAL 23 12.945 2.527 -18.145 184 HG23 VAL 23 2HG2 VAL 23 12.196 1.366 -17.047 185 H THR 24 H THR 24 11.964 5.637 -16.135 186 HA THR 24 HA THR 24 14.597 6.200 -17.245 187 HB THR 24 HB THR 24 12.518 8.252 -16.848 188 HG1 THR 24 HG1 THR 24 14.180 9.312 -18.292 189 HG21 THR 24 3HG2 THR 24 13.792 8.845 -14.924 190 HG22 THR 24 1HG2 THR 24 14.262 9.958 -16.208 191 HG23 THR 24 2HG2 THR 24 15.315 8.609 -15.781 192 H MET 25 H MET 25 16.181 6.371 -15.715 193 HA MET 25 HA MET 25 15.377 6.487 -12.898 194 HB2 MET 25 1HB MET 25 17.290 4.712 -12.582 195 HB3 MET 25 2HB MET 25 15.656 4.203 -12.987 196 HG2 MET 25 1HG MET 25 17.173 2.969 -14.339 197 HG3 MET 25 2HG MET 25 16.336 4.125 -15.373 198 HE1 MET 25 3HE MET 25 19.840 3.590 -16.881 199 HE2 MET 25 1HE MET 25 19.962 2.700 -15.362 200 HE3 MET 25 2HE MET 25 18.483 2.612 -16.319 201 H LYS 26 H LYS 26 17.437 6.650 -11.482 202 HA LYS 26 HA LYS 26 19.350 8.451 -12.818 203 HB2 LYS 26 1HB LYS 26 18.033 8.661 -10.122 204 HB3 LYS 26 2HB LYS 26 19.548 9.488 -10.463 205 HG2 LYS 26 1HG LYS 26 18.165 10.339 -12.563 206 HG3 LYS 26 2HG LYS 26 16.816 10.032 -11.467 207 HD2 LYS 26 1HD LYS 26 18.256 11.366 -9.756 208 HD3 LYS 26 2HD LYS 26 19.079 11.971 -11.196 209 HE2 LYS 26 1HE LYS 26 17.407 13.548 -10.807 210 HE3 LYS 26 2HE LYS 26 16.727 12.518 -12.065 211 HZ1 LYS 26 3HZ LYS 26 15.933 11.316 -9.766 212 HZ2 LYS 26 1HZ LYS 26 14.982 12.346 -10.714 213 HZ3 LYS 26 2HZ LYS 26 15.821 12.959 -9.379 214 H LYS 27 H LYS 27 21.497 8.517 -11.900 215 HA LYS 27 HA LYS 27 22.670 6.040 -11.542 216 HB2 LYS 27 1HB LYS 27 24.604 7.374 -10.540 217 HB3 LYS 27 2HB LYS 27 24.090 7.812 -12.164 218 HG2 LYS 27 1HG LYS 27 22.694 9.317 -10.109 219 HG3 LYS 27 2HG LYS 27 24.445 9.533 -10.050 220 HD2 LYS 27 1HD LYS 27 24.023 9.738 -12.707 221 HD3 LYS 27 2HD LYS 27 22.493 10.373 -12.097 222 HE2 LYS 27 1HE LYS 27 23.735 12.293 -12.145 223 HE3 LYS 27 2HE LYS 27 24.083 11.743 -10.507 224 HZ1 LYS 27 3HZ LYS 27 25.884 10.652 -12.449 225 HZ2 LYS 27 1HZ LYS 27 26.219 11.455 -10.998 226 HZ3 LYS 27 2HZ LYS 27 25.929 12.342 -12.409 227 H GLY 28 H GLY 28 22.045 4.649 -9.997 228 HA2 GLY 28 1HA GLY 28 22.458 3.877 -7.765 229 HA3 GLY 28 2HA GLY 28 22.333 5.539 -7.207 230 H ASP 29 H ASP 29 19.984 4.529 -9.488 231 HA ASP 29 HA ASP 29 17.939 4.630 -7.404 232 HB2 ASP 29 1HB ASP 29 17.940 4.991 -10.373 233 HB3 ASP 29 2HB ASP 29 16.442 4.526 -9.571 234 H ILE 30 H ILE 30 15.961 3.147 -7.959 235 HA ILE 30 HA ILE 30 16.893 0.470 -8.723 236 HB ILE 30 HB ILE 30 15.185 0.976 -6.287 237 HG12 ILE 30 1HG1 ILE 30 18.108 0.203 -6.408 238 HG13 ILE 30 2HG1 ILE 30 17.512 1.807 -5.996 239 HG21 ILE 30 1HG2 ILE 30 14.878 -1.229 -6.179 240 HG22 ILE 30 2HG2 ILE 30 15.478 -1.291 -7.835 241 HG23 ILE 30 3HG2 ILE 30 16.583 -1.560 -6.487 242 HD11 ILE 30 3HD1 ILE 30 17.123 1.218 -3.893 243 HD12 ILE 30 1HD1 ILE 30 16.302 -0.266 -4.373 244 HD13 ILE 30 2HD1 ILE 30 18.060 -0.235 -4.239 245 H LEU 31 H LEU 31 15.499 -0.635 -9.965 246 HA LEU 31 HA LEU 31 12.744 0.385 -10.189 247 HB2 LEU 31 1HB LEU 31 14.481 -0.697 -12.403 248 HB3 LEU 31 2HB LEU 31 12.799 -0.195 -12.568 249 HG LEU 31 HG LEU 31 14.004 1.589 -13.449 250 HD11 LEU 31 1HD1 LEU 31 13.234 3.312 -12.209 251 HD12 LEU 31 2HD1 LEU 31 13.959 2.710 -10.718 252 HD13 LEU 31 3HD1 LEU 31 12.450 2.014 -11.308 253 HD21 LEU 31 3HD2 LEU 31 15.846 2.373 -11.453 254 HD22 LEU 31 1HD2 LEU 31 16.181 1.777 -13.079 255 HD23 LEU 31 2HD2 LEU 31 16.072 0.646 -11.730 256 H THR 32 H THR 32 11.139 -1.081 -10.090 257 HA THR 32 HA THR 32 11.710 -3.719 -9.207 258 HB THR 32 HB THR 32 9.051 -2.671 -10.191 259 HG1 THR 32 HG1 THR 32 8.732 -2.157 -7.948 260 HG21 THR 32 3HG2 THR 32 9.009 -4.508 -7.961 261 HG22 THR 32 1HG2 THR 32 9.830 -5.217 -9.350 262 HG23 THR 32 2HG2 THR 32 8.182 -4.613 -9.515 263 H LEU 33 H LEU 33 12.485 -5.247 -10.508 264 HA LEU 33 HA LEU 33 12.194 -5.246 -13.323 265 HB2 LEU 33 1HB LEU 33 14.025 -6.325 -11.929 266 HB3 LEU 33 2HB LEU 33 12.886 -7.637 -11.638 267 HG LEU 33 HG LEU 33 14.583 -8.050 -13.442 268 HD11 LEU 33 1HD1 LEU 33 11.922 -8.768 -13.266 269 HD12 LEU 33 2HD1 LEU 33 13.142 -9.515 -14.296 270 HD13 LEU 33 3HD1 LEU 33 12.106 -8.242 -14.939 271 HD21 LEU 33 3HD2 LEU 33 14.321 -5.637 -14.303 272 HD22 LEU 33 1HD2 LEU 33 12.909 -6.255 -15.161 273 HD23 LEU 33 2HD2 LEU 33 14.504 -6.936 -15.483 274 H LEU 34 H LEU 34 10.502 -5.826 -14.499 275 HA LEU 34 HA LEU 34 8.451 -7.538 -13.279 276 HB2 LEU 34 1HB LEU 34 8.411 -5.319 -15.228 277 HB3 LEU 34 2HB LEU 34 7.267 -6.629 -15.513 278 HG LEU 34 HG LEU 34 6.209 -4.826 -14.289 279 HD11 LEU 34 1HD1 LEU 34 6.109 -6.434 -12.008 280 HD12 LEU 34 2HD1 LEU 34 6.427 -7.534 -13.348 281 HD13 LEU 34 3HD1 LEU 34 5.021 -6.472 -13.395 282 HD21 LEU 34 3HD2 LEU 34 6.942 -4.224 -12.035 283 HD22 LEU 34 1HD2 LEU 34 8.189 -3.877 -13.233 284 HD23 LEU 34 2HD2 LEU 34 8.332 -5.298 -12.198 285 H ASN 35 H ASN 35 10.447 -7.138 -16.158 286 HA ASN 35 HA ASN 35 10.168 -9.979 -16.716 287 HB2 ASN 35 1HB ASN 35 8.845 -7.919 -18.275 288 HB3 ASN 35 2HB ASN 35 9.974 -8.842 -19.262 289 HD21 ASN 35 2HD2 ASN 35 9.776 -11.206 -19.152 290 HD22 ASN 35 1HD2 ASN 35 8.197 -11.888 -18.981 291 H SER 36 H SER 36 12.135 -10.759 -17.042 292 HA SER 36 HA SER 36 14.149 -9.023 -18.312 293 HB2 SER 36 1HB SER 36 15.835 -9.807 -16.832 294 HB3 SER 36 2HB SER 36 14.456 -9.409 -15.808 295 HG SER 36 HG SER 36 15.529 -11.503 -15.432 296 H THR 37 H THR 37 12.576 -10.694 -19.819 297 HA THR 37 HA THR 37 13.776 -13.256 -20.217 298 HB THR 37 HB THR 37 11.459 -12.948 -20.833 299 HG1 THR 37 HG1 THR 37 11.966 -14.402 -22.282 300 HG21 THR 37 3HG2 THR 37 11.810 -11.396 -23.246 301 HG22 THR 37 1HG2 THR 37 12.311 -10.482 -21.825 302 HG23 THR 37 2HG2 THR 37 10.683 -11.154 -21.912 303 H ASN 38 H ASN 38 14.376 -10.059 -21.405 304 HA ASN 38 HA ASN 38 16.103 -11.057 -23.544 305 HB2 ASN 38 1HB ASN 38 14.408 -8.982 -23.587 306 HB3 ASN 38 2HB ASN 38 15.846 -8.142 -23.015 307 HD21 ASN 38 2HD2 ASN 38 14.448 -9.982 -25.625 308 HD22 ASN 38 1HD2 ASN 38 15.595 -9.515 -26.830 309 H LYS 39 H LYS 39 18.189 -9.655 -23.796 310 HA LYS 39 HA LYS 39 19.515 -9.562 -21.166 311 HB2 LYS 39 1HB LYS 39 21.572 -10.236 -22.252 312 HB3 LYS 39 2HB LYS 39 20.306 -11.398 -22.626 313 HG2 LYS 39 1HG LYS 39 19.976 -10.170 -24.798 314 HG3 LYS 39 2HG LYS 39 21.448 -9.273 -24.418 315 HD2 LYS 39 1HD LYS 39 22.032 -11.109 -25.845 316 HD3 LYS 39 2HD LYS 39 22.644 -11.453 -24.225 317 HE2 LYS 39 1HE LYS 39 20.847 -12.969 -23.796 318 HE3 LYS 39 2HE LYS 39 20.020 -12.494 -25.279 319 HZ1 LYS 39 3HZ LYS 39 22.671 -13.414 -25.790 320 HZ2 LYS 39 1HZ LYS 39 21.204 -13.943 -26.448 321 HZ3 LYS 39 2HZ LYS 39 21.757 -14.588 -24.985 322 H ASP 40 H ASP 40 18.893 -7.928 -24.155 323 HA ASP 40 HA ASP 40 20.884 -5.889 -23.790 324 HB2 ASP 40 1HB ASP 40 18.469 -5.928 -25.613 325 HB3 ASP 40 2HB ASP 40 19.816 -4.798 -25.707 326 H TRP 41 H TRP 41 17.326 -5.947 -23.585 327 HA TRP 41 HA TRP 41 17.498 -3.716 -21.673 328 HB2 TRP 41 1HB TRP 41 15.341 -4.027 -23.770 329 HB3 TRP 41 2HB TRP 41 15.528 -2.694 -22.634 330 HD1 TRP 41 HD1 TRP 41 17.280 -4.213 -25.723 331 HE1 TRP 41 HE1 TRP 41 18.607 -2.342 -26.891 332 HE3 TRP 41 HE3 TRP 41 16.530 -0.453 -22.341 333 HZ2 TRP 41 HZ2 TRP 41 19.252 0.369 -26.437 334 HZ3 TRP 41 HZ3 TRP 41 17.537 1.748 -22.782 335 HH2 TRP 41 HH2 TRP 41 18.869 2.148 -24.788 336 H TRP 42 H TRP 42 16.140 -3.804 -19.928 337 HA TRP 42 HA TRP 42 14.514 -6.250 -19.687 338 HB2 TRP 42 1HB TRP 42 15.908 -4.679 -17.508 339 HB3 TRP 42 2HB TRP 42 14.906 -6.105 -17.254 340 HD1 TRP 42 HD1 TRP 42 16.226 -7.667 -19.864 341 HE1 TRP 42 HE1 TRP 42 18.540 -8.742 -19.526 342 HE3 TRP 42 HE3 TRP 42 17.763 -5.016 -15.771 343 HZ2 TRP 42 HZ2 TRP 42 20.728 -8.499 -17.758 344 HZ3 TRP 42 HZ3 TRP 42 19.980 -5.499 -14.818 345 HH2 TRP 42 HH2 TRP 42 21.429 -7.205 -15.792 346 H LYS 43 H LYS 43 12.488 -6.122 -18.693 347 HA LYS 43 HA LYS 43 11.233 -3.504 -18.906 348 HB2 LYS 43 1HB LYS 43 10.094 -5.355 -19.972 349 HB3 LYS 43 2HB LYS 43 10.085 -6.265 -18.467 350 HG2 LYS 43 1HG LYS 43 7.908 -5.394 -18.762 351 HG3 LYS 43 2HG LYS 43 8.669 -4.443 -17.485 352 HD2 LYS 43 1HD LYS 43 8.472 -2.557 -18.660 353 HD3 LYS 43 2HD LYS 43 9.158 -3.306 -20.104 354 HE2 LYS 43 1HE LYS 43 6.298 -3.626 -19.202 355 HE3 LYS 43 2HE LYS 43 6.839 -2.460 -20.409 356 HZ1 LYS 43 3HZ LYS 43 5.939 -4.772 -21.134 357 HZ2 LYS 43 1HZ LYS 43 7.504 -5.299 -20.765 358 HZ3 LYS 43 2HZ LYS 43 7.269 -4.097 -21.932 359 H VAL 44 H VAL 44 11.165 -2.225 -17.188 360 HA VAL 44 HA VAL 44 10.662 -3.434 -14.552 361 HB VAL 44 HB VAL 44 12.152 -1.853 -13.483 362 HG11 VAL 44 1HG1 VAL 44 14.169 -2.654 -15.325 363 HG12 VAL 44 2HG1 VAL 44 13.772 -3.346 -13.752 364 HG13 VAL 44 3HG1 VAL 44 12.972 -3.942 -15.206 365 HG21 VAL 44 3HG2 VAL 44 11.948 0.045 -14.934 366 HG22 VAL 44 1HG2 VAL 44 13.647 -0.422 -14.872 367 HG23 VAL 44 2HG2 VAL 44 12.667 -0.843 -16.277 368 H GLU 45 H GLU 45 9.675 -1.977 -12.995 369 HA GLU 45 HA GLU 45 8.010 0.057 -14.324 370 HB2 GLU 45 1HB GLU 45 6.924 -2.009 -13.260 371 HB3 GLU 45 2HB GLU 45 7.353 -1.291 -11.713 372 HG2 GLU 45 1HG GLU 45 6.067 0.733 -12.368 373 HG3 GLU 45 2HG GLU 45 5.536 -0.131 -13.810 374 H VAL 46 H VAL 46 8.011 2.108 -13.596 375 HA VAL 46 HA VAL 46 9.653 2.695 -11.218 376 HB VAL 46 HB VAL 46 10.222 4.830 -12.194 377 HG11 VAL 46 1HG1 VAL 46 10.727 3.138 -14.550 378 HG12 VAL 46 2HG1 VAL 46 11.857 4.012 -13.514 379 HG13 VAL 46 3HG1 VAL 46 11.214 2.452 -13.000 380 HG21 VAL 46 3HG2 VAL 46 9.534 5.333 -14.553 381 HG22 VAL 46 1HG2 VAL 46 8.390 3.996 -14.435 382 HG23 VAL 46 2HG2 VAL 46 8.225 5.393 -13.373 383 H LYS 47 H LYS 47 9.083 4.915 -10.264 384 HA LYS 47 HA LYS 47 6.149 5.189 -10.163 385 HB2 LYS 47 1HB LYS 47 6.376 5.827 -7.807 386 HB3 LYS 47 2HB LYS 47 7.019 4.216 -8.095 387 HG2 LYS 47 1HG LYS 47 9.166 4.842 -7.674 388 HG3 LYS 47 2HG LYS 47 8.907 6.502 -8.218 389 HD2 LYS 47 1HD LYS 47 9.253 6.444 -5.814 390 HD3 LYS 47 2HD LYS 47 7.602 6.948 -6.182 391 HE2 LYS 47 1HE LYS 47 7.714 5.333 -4.321 392 HE3 LYS 47 2HE LYS 47 6.775 4.734 -5.687 393 HZ1 LYS 47 3HZ LYS 47 8.785 3.401 -4.457 394 HZ2 LYS 47 1HZ LYS 47 9.556 4.031 -5.825 395 HZ3 LYS 47 2HZ LYS 47 8.185 3.055 -6.000 396 H ALA 48 H ALA 48 5.287 7.264 -9.996 397 HA ALA 48 HA ALA 48 7.151 9.518 -10.182 398 HB1 ALA 48 1HB ALA 48 5.281 10.314 -11.966 399 HB2 ALA 48 2HB ALA 48 6.805 9.540 -12.405 400 HB3 ALA 48 3HB ALA 48 5.330 8.581 -12.291 401 H THR 49 H THR 49 6.314 11.506 -9.494 402 HA THR 49 HA THR 49 3.670 11.385 -8.199 403 HB THR 49 HB THR 49 5.971 12.953 -7.051 404 HG1 THR 49 HG1 THR 49 6.097 10.438 -7.209 405 HG21 THR 49 3HG2 THR 49 3.794 11.814 -5.401 406 HG22 THR 49 1HG2 THR 49 3.348 13.120 -6.499 407 HG23 THR 49 2HG2 THR 49 4.603 13.377 -5.287 408 H ALA 50 H ALA 50 2.346 12.788 -9.134 409 HA ALA 50 HA ALA 50 3.225 15.517 -9.604 410 HB1 ALA 50 1HB ALA 50 3.569 13.980 -11.702 411 HB2 ALA 50 2HB ALA 50 1.832 14.219 -11.895 412 HB3 ALA 50 3HB ALA 50 2.916 15.610 -11.874 413 H ASN 51 H ASN 51 1.485 17.006 -9.872 414 HA ASN 51 HA ASN 51 -0.536 17.873 -9.289 415 HB2 ASN 51 1HB ASN 51 -1.836 15.291 -10.098 416 HB3 ASN 51 2HB ASN 51 -2.404 16.942 -10.334 417 HD21 ASN 51 2HD2 ASN 51 -1.143 14.324 -11.848 418 HD22 ASN 51 1HD2 ASN 51 -0.466 15.090 -13.241 419 H GLY 52 H GLY 52 0.955 16.289 -7.304 420 HA2 GLY 52 1HA GLY 52 0.634 15.760 -5.085 421 HA3 GLY 52 2HA GLY 52 -1.044 16.247 -5.269 422 H LYS 53 H LYS 53 0.130 13.877 -7.460 423 HA LYS 53 HA LYS 53 -1.030 11.718 -5.835 424 HB2 LYS 53 1HB LYS 53 -2.529 12.699 -7.734 425 HB3 LYS 53 2HB LYS 53 -1.458 11.804 -8.803 426 HG2 LYS 53 1HG LYS 53 -3.329 10.423 -8.396 427 HG3 LYS 53 2HG LYS 53 -1.994 9.753 -7.455 428 HD2 LYS 53 1HD LYS 53 -3.697 9.710 -5.907 429 HD3 LYS 53 2HD LYS 53 -2.961 11.276 -5.558 430 HE2 LYS 53 1HE LYS 53 -5.354 11.526 -5.626 431 HE3 LYS 53 2HE LYS 53 -4.649 12.346 -7.018 432 HZ1 LYS 53 3HZ LYS 53 -6.703 10.795 -7.300 433 HZ2 LYS 53 1HZ LYS 53 -5.541 9.565 -7.310 434 HZ3 LYS 53 2HZ LYS 53 -5.476 10.799 -8.464 435 H THR 54 H THR 54 -0.292 9.586 -6.382 436 HA THR 54 HA THR 54 2.338 9.606 -7.712 437 HB THR 54 HB THR 54 2.508 7.364 -6.271 438 HG1 THR 54 HG1 THR 54 1.124 8.990 -4.436 439 HG21 THR 54 3HG2 THR 54 3.675 9.829 -6.196 440 HG22 THR 54 1HG2 THR 54 4.110 8.480 -5.148 441 HG23 THR 54 2HG2 THR 54 2.986 9.713 -4.578 442 H TYR 55 H TYR 55 2.507 8.470 -9.524 443 HA TYR 55 HA TYR 55 0.706 6.181 -9.936 444 HB2 TYR 55 1HB TYR 55 0.306 6.810 -12.211 445 HB3 TYR 55 2HB TYR 55 -0.035 8.219 -11.213 446 HD1 TYR 55 HD2 TYR 55 2.324 6.741 -13.620 447 HD2 TYR 55 HD1 TYR 55 1.292 10.212 -11.386 448 HE1 TYR 55 HE2 TYR 55 3.881 8.072 -14.981 449 HE2 TYR 55 HE1 TYR 55 2.846 11.554 -12.742 450 HH TYR 55 HH TYR 55 3.916 10.851 -15.546 451 H GLU 56 H GLU 56 1.559 4.434 -11.029 452 HA GLU 56 HA GLU 56 4.469 4.530 -11.463 453 HB2 GLU 56 1HB GLU 56 2.633 2.325 -10.569 454 HB3 GLU 56 2HB GLU 56 4.211 1.965 -11.253 455 HG2 GLU 56 1HG GLU 56 5.339 2.782 -9.453 456 HG3 GLU 56 2HG GLU 56 4.075 3.941 -9.046 457 H ARG 57 H ARG 57 5.359 3.397 -13.254 458 HA ARG 57 HA ARG 57 3.508 2.536 -15.341 459 HB2 ARG 57 1HB ARG 57 4.853 3.898 -17.019 460 HB3 ARG 57 2HB ARG 57 3.752 4.796 -15.982 461 HG2 ARG 57 1HG ARG 57 5.495 5.674 -14.695 462 HG3 ARG 57 2HG ARG 57 6.653 4.485 -15.296 463 HD2 ARG 57 1HD ARG 57 7.024 6.693 -16.287 464 HD3 ARG 57 2HD ARG 57 6.575 5.499 -17.504 465 HE ARG 57 HE ARG 57 4.297 6.902 -16.552 466 HH11 ARG 57 1HH1 ARG 57 7.059 7.201 -18.649 467 HH12 ARG 57 2HH1 ARG 57 6.305 8.359 -19.693 468 HH21 ARG 57 1HH2 ARG 57 3.292 8.426 -17.919 469 HH22 ARG 57 2HH2 ARG 57 4.162 9.056 -19.276 470 H GLN 58 H GLN 58 4.434 1.160 -16.897 471 HA GLN 58 HA GLN 58 6.964 -0.046 -16.028 472 HB2 GLN 58 1HB GLN 58 4.637 -1.098 -17.621 473 HB3 GLN 58 2HB GLN 58 6.182 -1.936 -17.577 474 HG2 GLN 58 1HG GLN 58 6.012 -2.235 -15.200 475 HG3 GLN 58 2HG GLN 58 4.547 -1.256 -15.145 476 HE21 GLN 58 2HE2 GLN 58 5.824 -4.099 -16.846 477 HE22 GLN 58 1HE2 GLN 58 4.369 -5.024 -16.746 478 H GLY 59 H GLY 59 8.700 -0.258 -17.373 479 HA2 GLY 59 1HA GLY 59 8.459 0.430 -20.188 480 HA3 GLY 59 2HA GLY 59 9.405 1.548 -19.215 481 H PHE 60 H PHE 60 10.997 0.782 -20.931 482 HA PHE 60 HA PHE 60 12.335 -1.676 -20.012 483 HB2 PHE 60 1HB PHE 60 12.268 -0.377 -22.736 484 HB3 PHE 60 2HB PHE 60 13.413 -1.645 -22.310 485 HD1 PHE 60 HD2 PHE 60 9.858 -0.863 -22.832 486 HD2 PHE 60 HD1 PHE 60 12.743 -3.922 -22.171 487 HE1 PHE 60 HE2 PHE 60 8.182 -2.566 -23.419 488 HE2 PHE 60 HE1 PHE 60 11.071 -5.629 -22.757 489 HZ PHE 60 HZ PHE 60 8.787 -4.953 -23.381 490 H VAL 61 H VAL 61 14.546 -1.653 -19.656 491 HA VAL 61 HA VAL 61 15.895 0.953 -19.828 492 HB VAL 61 HB VAL 61 17.003 0.444 -17.633 493 HG11 VAL 61 1HG1 VAL 61 15.405 1.580 -16.445 494 HG12 VAL 61 2HG1 VAL 61 14.858 1.891 -18.094 495 HG13 VAL 61 3HG1 VAL 61 14.075 0.643 -17.125 496 HG21 VAL 61 3HG2 VAL 61 16.506 -1.960 -17.582 497 HG22 VAL 61 1HG2 VAL 61 15.935 -1.142 -16.128 498 HG23 VAL 61 2HG2 VAL 61 14.791 -1.595 -17.392 499 HA PRO 62 HA PRO 62 19.283 -1.253 -21.542 500 HB2 PRO 62 1HB PRO 62 21.371 0.258 -20.688 501 HB3 PRO 62 2HB PRO 62 20.250 0.792 -21.947 502 HG2 PRO 62 1HG PRO 62 20.302 1.490 -19.037 503 HG3 PRO 62 2HG PRO 62 20.027 2.545 -20.435 504 HD2 PRO 62 1HD PRO 62 18.005 1.607 -18.899 505 HD3 PRO 62 2HD PRO 62 17.820 1.912 -20.638 506 H ALA 63 H ALA 63 19.788 -3.210 -20.769 507 HA ALA 63 HA ALA 63 20.268 -3.817 -18.061 508 HB1 ALA 63 1HB ALA 63 21.121 -5.998 -18.963 509 HB2 ALA 63 2HB ALA 63 19.501 -5.549 -19.498 510 HB3 ALA 63 3HB ALA 63 20.876 -5.344 -20.583 511 H ALA 64 H ALA 64 22.248 -2.346 -20.371 512 HA ALA 64 HA ALA 64 24.771 -3.306 -19.366 513 HB1 ALA 64 1HB ALA 64 25.743 -1.595 -20.858 514 HB2 ALA 64 2HB ALA 64 24.608 -2.661 -21.687 515 HB3 ALA 64 3HB ALA 64 24.115 -1.030 -21.232 516 H TYR 65 H TYR 65 22.551 -0.813 -18.551 517 HA TYR 65 HA TYR 65 24.576 0.525 -16.889 518 HB2 TYR 65 1HB TYR 65 21.870 1.516 -17.811 519 HB3 TYR 65 2HB TYR 65 22.985 2.416 -16.788 520 HD1 TYR 65 HD1 TYR 65 25.510 1.465 -18.327 521 HD2 TYR 65 HD2 TYR 65 21.809 3.159 -19.566 522 HE1 TYR 65 HE1 TYR 65 26.607 2.383 -20.328 523 HE2 TYR 65 HE2 TYR 65 22.895 4.081 -21.571 524 HH TYR 65 HH TYR 65 24.862 4.473 -22.583 525 H VAL 66 H VAL 66 21.694 -1.360 -16.831 526 HA VAL 66 HA VAL 66 21.517 -1.011 -13.908 527 HB VAL 66 HB VAL 66 19.175 -1.625 -14.020 528 HG11 VAL 66 1HG1 VAL 66 18.362 0.307 -15.500 529 HG12 VAL 66 2HG1 VAL 66 19.452 0.691 -14.166 530 HG13 VAL 66 3HG1 VAL 66 20.071 0.605 -15.815 531 HG21 VAL 66 3HG2 VAL 66 18.594 -2.985 -15.703 532 HG22 VAL 66 1HG2 VAL 66 18.395 -1.506 -16.643 533 HG23 VAL 66 2HG2 VAL 66 19.903 -2.414 -16.737 534 H LYS 67 H LYS 67 21.560 -2.791 -12.624 535 HA LYS 67 HA LYS 67 21.781 -5.407 -13.962 536 HB2 LYS 67 1HB LYS 67 23.979 -4.837 -13.233 537 HB3 LYS 67 2HB LYS 67 23.391 -4.291 -11.668 538 HG2 LYS 67 1HG LYS 67 23.085 -6.447 -10.884 539 HG3 LYS 67 2HG LYS 67 23.026 -7.136 -12.508 540 HD2 LYS 67 1HD LYS 67 25.120 -7.761 -11.597 541 HD3 LYS 67 2HD LYS 67 25.450 -6.463 -12.747 542 HE2 LYS 67 1HE LYS 67 26.731 -5.891 -10.886 543 HE3 LYS 67 2HE LYS 67 25.284 -4.899 -10.715 544 HZ1 LYS 67 3HZ LYS 67 25.784 -7.473 -9.318 545 HZ2 LYS 67 1HZ LYS 67 24.403 -6.511 -9.149 546 HZ3 LYS 67 2HZ LYS 67 25.903 -5.935 -8.623 547 H LYS 68 H LYS 68 20.613 -7.055 -13.134 548 HA LYS 68 HA LYS 68 18.447 -6.543 -11.436 549 HB2 LYS 68 1HB LYS 68 17.955 -8.857 -11.577 550 HB3 LYS 68 2HB LYS 68 18.686 -8.426 -13.118 551 HG2 LYS 68 1HG LYS 68 20.878 -9.256 -12.118 552 HG3 LYS 68 2HG LYS 68 19.886 -9.976 -10.848 553 HD2 LYS 68 1HD LYS 68 19.564 -10.497 -13.804 554 HD3 LYS 68 2HD LYS 68 20.410 -11.558 -12.675 555 HE2 LYS 68 1HE LYS 68 18.161 -11.453 -11.349 556 HE3 LYS 68 2HE LYS 68 17.491 -10.967 -12.906 557 HZ1 LYS 68 3HZ LYS 68 18.510 -13.005 -13.853 558 HZ2 LYS 68 1HZ LYS 68 17.300 -13.316 -12.713 559 HZ3 LYS 68 2HZ LYS 68 18.928 -13.487 -12.286 560 H LEU 69 H LEU 69 17.986 -7.431 -9.326 561 HA LEU 69 HA LEU 69 20.381 -7.897 -7.679 562 HB2 LEU 69 1HB LEU 69 17.990 -6.306 -6.780 563 HB3 LEU 69 2HB LEU 69 19.521 -6.520 -5.933 564 HG LEU 69 HG LEU 69 19.541 -5.182 -8.596 565 HD11 LEU 69 1HD1 LEU 69 17.987 -3.723 -7.878 566 HD12 LEU 69 2HD1 LEU 69 19.328 -3.059 -6.945 567 HD13 LEU 69 3HD1 LEU 69 18.191 -4.172 -6.185 568 HD21 LEU 69 3HD2 LEU 69 21.056 -4.314 -6.186 569 HD22 LEU 69 1HD2 LEU 69 21.527 -4.300 -7.886 570 HD23 LEU 69 2HD2 LEU 69 21.525 -5.816 -6.984 571 H ASP 70 H ASP 70 19.378 -10.112 -8.403 572 HA ASP 70 HA ASP 70 17.074 -10.994 -6.951 573 HB2 ASP 70 1HB ASP 70 17.617 -12.057 -9.055 574 HB3 ASP 70 2HB ASP 70 19.206 -12.522 -8.455 Start of MODEL 16 1 H1 MET 1 H MET 1 8.488 -3.870 2.423 2 HA MET 1 HA MET 1 7.803 -1.851 4.417 3 HB2 MET 1 1HB MET 1 9.875 -3.023 4.799 4 HB3 MET 1 2HB MET 1 10.436 -2.656 3.173 5 HG2 MET 1 1HG MET 1 10.927 -0.476 3.684 6 HG3 MET 1 2HG MET 1 9.771 -0.413 5.011 7 HE1 MET 1 3HE MET 1 12.181 0.958 5.241 8 HE2 MET 1 1HE MET 1 11.854 0.667 6.950 9 HE3 MET 1 2HE MET 1 13.447 0.307 6.283 10 H ASP 2 H ASP 2 9.313 -1.985 1.191 11 HA ASP 2 HA ASP 2 8.409 0.788 0.763 12 HB2 ASP 2 1HB ASP 2 10.304 0.674 -1.058 13 HB3 ASP 2 2HB ASP 2 10.706 0.998 0.626 14 H GLU 3 H GLU 3 7.083 -1.871 0.241 15 HA GLU 3 HA GLU 3 5.848 -2.901 -1.374 16 HB2 GLU 3 1HB GLU 3 5.847 -0.037 -2.309 17 HB3 GLU 3 2HB GLU 3 4.935 -1.288 -3.144 18 HG2 GLU 3 1HG GLU 3 3.452 -1.561 -1.408 19 HG3 GLU 3 2HG GLU 3 4.576 -0.925 -0.208 20 H THR 4 H THR 4 8.551 -3.318 -1.702 21 HA THR 4 HA THR 4 8.718 -4.254 -4.327 22 HB THR 4 HB THR 4 8.952 -2.014 -5.115 23 HG1 THR 4 HG1 THR 4 10.718 -3.797 -5.555 24 HG21 THR 4 3HG2 THR 4 9.690 -0.409 -3.758 25 HG22 THR 4 1HG2 THR 4 11.322 -1.054 -3.929 26 HG23 THR 4 2HG2 THR 4 10.289 -1.607 -2.612 27 H GLY 5 H GLY 5 9.796 -6.054 -3.832 28 HA2 GLY 5 1HA GLY 5 12.525 -5.908 -2.961 29 HA3 GLY 5 2HA GLY 5 11.461 -6.543 -1.715 30 H LYS 6 H LYS 6 10.769 -7.119 -5.069 31 HA LYS 6 HA LYS 6 11.175 -9.974 -4.632 32 HB2 LYS 6 1HB LYS 6 10.139 -8.979 -7.226 33 HB3 LYS 6 2HB LYS 6 9.609 -10.343 -6.250 34 HG2 LYS 6 1HG LYS 6 7.825 -9.048 -5.856 35 HG3 LYS 6 2HG LYS 6 8.877 -8.289 -4.659 36 HD2 LYS 6 1HD LYS 6 9.601 -6.732 -6.560 37 HD3 LYS 6 2HD LYS 6 8.189 -7.342 -7.427 38 HE2 LYS 6 1HE LYS 6 7.942 -6.266 -4.641 39 HE3 LYS 6 2HE LYS 6 7.964 -5.180 -6.029 40 HZ1 LYS 6 3HZ LYS 6 6.069 -7.443 -5.723 41 HZ2 LYS 6 1HZ LYS 6 6.039 -6.245 -6.916 42 HZ3 LYS 6 2HZ LYS 6 5.709 -5.844 -5.307 43 H GLU 7 H GLU 7 11.818 -7.743 -7.345 44 HA GLU 7 HA GLU 7 14.492 -8.882 -7.614 45 HB2 GLU 7 1HB GLU 7 14.064 -9.006 -10.148 46 HB3 GLU 7 2HB GLU 7 13.418 -10.292 -9.140 47 HG2 GLU 7 1HG GLU 7 11.222 -9.234 -9.185 48 HG3 GLU 7 2HG GLU 7 11.867 -7.935 -10.187 49 H LEU 8 H LEU 8 14.497 -6.565 -6.626 50 HA LEU 8 HA LEU 8 14.140 -4.387 -8.446 51 HB2 LEU 8 1HB LEU 8 15.155 -4.733 -5.680 52 HB3 LEU 8 2HB LEU 8 15.650 -3.285 -6.554 53 HG LEU 8 HG LEU 8 12.755 -4.033 -6.278 54 HD11 LEU 8 1HD1 LEU 8 14.526 -2.634 -4.300 55 HD12 LEU 8 2HD1 LEU 8 13.389 -3.954 -4.027 56 HD13 LEU 8 3HD1 LEU 8 12.789 -2.332 -4.375 57 HD21 LEU 8 3HD2 LEU 8 12.383 -2.106 -7.325 58 HD22 LEU 8 1HD2 LEU 8 14.111 -2.051 -7.678 59 HD23 LEU 8 2HD2 LEU 8 13.476 -1.233 -6.249 60 H VAL 9 H VAL 9 15.664 -3.220 -9.567 61 HA VAL 9 HA VAL 9 18.338 -4.449 -9.749 62 HB VAL 9 HB VAL 9 18.460 -3.789 -12.055 63 HG11 VAL 9 1HG1 VAL 9 16.623 -5.654 -11.054 64 HG12 VAL 9 2HG1 VAL 9 15.805 -4.833 -12.385 65 HG13 VAL 9 3HG1 VAL 9 17.359 -5.623 -12.656 66 HG21 VAL 9 3HG2 VAL 9 16.249 -2.048 -11.304 67 HG22 VAL 9 1HG2 VAL 9 17.413 -1.898 -12.621 68 HG23 VAL 9 2HG2 VAL 9 15.973 -2.894 -12.827 69 H LEU 10 H LEU 10 20.135 -3.130 -9.809 70 HA LEU 10 HA LEU 10 19.716 -0.425 -8.800 71 HB2 LEU 10 1HB LEU 10 21.266 -1.582 -7.498 72 HB3 LEU 10 2HB LEU 10 22.057 -2.289 -8.906 73 HG LEU 10 HG LEU 10 22.993 -0.067 -9.452 74 HD11 LEU 10 1HD1 LEU 10 22.304 1.798 -8.469 75 HD12 LEU 10 2HD1 LEU 10 22.604 1.130 -6.865 76 HD13 LEU 10 3HD1 LEU 10 21.056 0.848 -7.662 77 HD21 LEU 10 3HD2 LEU 10 24.508 0.041 -7.397 78 HD22 LEU 10 1HD2 LEU 10 24.462 -1.475 -8.296 79 HD23 LEU 10 2HD2 LEU 10 23.566 -1.319 -6.785 80 H ALA 11 H ALA 11 20.391 1.414 -9.820 81 HA ALA 11 HA ALA 11 20.841 1.202 -12.675 82 HB1 ALA 11 1HB ALA 11 19.267 2.852 -12.008 83 HB2 ALA 11 2HB ALA 11 20.398 3.556 -10.852 84 HB3 ALA 11 3HB ALA 11 20.698 3.706 -12.584 85 H LEU 12 H LEU 12 22.868 0.732 -13.271 86 HA LEU 12 HA LEU 12 25.172 1.500 -11.784 87 HB2 LEU 12 1HB LEU 12 25.074 0.591 -14.651 88 HB3 LEU 12 2HB LEU 12 26.446 0.507 -13.548 89 HG LEU 12 HG LEU 12 23.953 -0.996 -12.885 90 HD11 LEU 12 1HD1 LEU 12 25.784 -2.680 -14.283 91 HD12 LEU 12 2HD1 LEU 12 25.316 -1.339 -15.326 92 HD13 LEU 12 3HD1 LEU 12 24.079 -2.374 -14.614 93 HD21 LEU 12 3HD2 LEU 12 26.166 -0.695 -11.493 94 HD22 LEU 12 1HD2 LEU 12 26.741 -1.983 -12.552 95 HD23 LEU 12 2HD2 LEU 12 25.321 -2.243 -11.539 96 H TYR 13 H TYR 13 23.672 2.671 -14.773 97 HA TYR 13 HA TYR 13 25.295 5.115 -14.523 98 HB2 TYR 13 1HB TYR 13 24.496 3.741 -17.097 99 HB3 TYR 13 2HB TYR 13 25.364 5.267 -16.979 100 HD1 TYR 13 HD1 TYR 13 25.601 1.629 -16.475 101 HD2 TYR 13 HD2 TYR 13 27.711 5.324 -16.479 102 HE1 TYR 13 HE1 TYR 13 27.734 0.404 -16.436 103 HE2 TYR 13 HE2 TYR 13 29.849 4.109 -16.442 104 HH TYR 13 HH TYR 13 30.210 0.995 -17.226 105 H ASP 14 H ASP 14 24.217 6.747 -16.302 106 HA ASP 14 HA ASP 14 21.456 7.042 -15.362 107 HB2 ASP 14 1HB ASP 14 21.737 9.407 -16.248 108 HB3 ASP 14 2HB ASP 14 22.744 8.974 -14.868 109 H TYR 15 H TYR 15 19.785 7.672 -16.825 110 HA TYR 15 HA TYR 15 20.328 7.180 -19.665 111 HB2 TYR 15 1HB TYR 15 19.352 5.150 -18.311 112 HB3 TYR 15 2HB TYR 15 17.840 6.040 -18.449 113 HD1 TYR 15 HD2 TYR 15 20.671 5.399 -20.809 114 HD2 TYR 15 HD1 TYR 15 16.493 5.098 -20.064 115 HE1 TYR 15 HE2 TYR 15 20.341 4.477 -23.065 116 HE2 TYR 15 HE1 TYR 15 16.152 4.174 -22.318 117 HH TYR 15 HH TYR 15 18.762 4.028 -24.658 118 H GLN 16 H GLN 16 18.217 7.666 -20.956 119 HA GLN 16 HA GLN 16 16.583 9.753 -19.784 120 HB2 GLN 16 1HB GLN 16 18.801 10.295 -21.647 121 HB3 GLN 16 2HB GLN 16 17.272 11.049 -22.078 122 HG2 GLN 16 1HG GLN 16 18.245 11.299 -19.280 123 HG3 GLN 16 2HG GLN 16 19.013 12.265 -20.539 124 HE21 GLN 16 2HE2 GLN 16 16.202 11.783 -18.620 125 HE22 GLN 16 1HE2 GLN 16 15.335 13.182 -19.146 126 H GLU 17 H GLU 17 14.769 8.554 -20.210 127 HA GLU 17 HA GLU 17 14.172 7.073 -22.455 128 HB2 GLU 17 1HB GLU 17 11.794 7.414 -21.871 129 HB3 GLU 17 2HB GLU 17 12.779 7.004 -20.474 130 HG2 GLU 17 1HG GLU 17 12.913 9.539 -20.085 131 HG3 GLU 17 2HG GLU 17 11.551 9.632 -21.201 132 H LYS 18 H LYS 18 13.048 7.467 -24.375 133 HA LYS 18 HA LYS 18 13.012 10.291 -25.221 134 HB2 LYS 18 1HB LYS 18 13.208 9.146 -27.577 135 HB3 LYS 18 2HB LYS 18 14.640 9.405 -26.590 136 HG2 LYS 18 1HG LYS 18 14.659 7.190 -27.567 137 HG3 LYS 18 2HG LYS 18 14.523 7.091 -25.810 138 HD2 LYS 18 1HD LYS 18 12.233 6.532 -25.919 139 HD3 LYS 18 2HD LYS 18 12.119 7.006 -27.616 140 HE2 LYS 18 1HE LYS 18 13.789 5.147 -28.083 141 HE3 LYS 18 2HE LYS 18 13.482 4.599 -26.436 142 HZ1 LYS 18 3HZ LYS 18 11.964 3.378 -27.607 143 HZ2 LYS 18 1HZ LYS 18 11.693 4.584 -28.762 144 HZ3 LYS 18 2HZ LYS 18 11.016 4.724 -27.218 145 H SER 19 H SER 19 11.090 7.719 -24.451 146 HA SER 19 HA SER 19 8.849 8.851 -25.963 147 HB2 SER 19 1HB SER 19 8.325 6.947 -27.067 148 HB3 SER 19 2HB SER 19 10.002 6.496 -26.759 149 HG SER 19 HG SER 19 9.229 4.911 -25.638 150 HA PRO 20 HA PRO 20 6.575 8.530 -22.226 151 HB2 PRO 20 1HB PRO 20 4.092 7.882 -23.110 152 HB3 PRO 20 2HB PRO 20 4.804 9.484 -23.335 153 HG2 PRO 20 1HG PRO 20 4.617 7.205 -25.268 154 HG3 PRO 20 2HG PRO 20 4.336 8.934 -25.546 155 HD2 PRO 20 1HD PRO 20 6.646 7.704 -26.240 156 HD3 PRO 20 2HD PRO 20 6.587 9.401 -25.721 157 H ARG 21 H ARG 21 6.889 5.793 -24.275 158 HA ARG 21 HA ARG 21 5.592 3.976 -22.412 159 HB2 ARG 21 1HB ARG 21 5.695 3.874 -25.062 160 HB3 ARG 21 2HB ARG 21 7.188 3.003 -24.735 161 HG2 ARG 21 1HG ARG 21 6.088 1.248 -23.695 162 HG3 ARG 21 2HG ARG 21 4.642 2.210 -23.385 163 HD2 ARG 21 1HD ARG 21 4.239 2.280 -25.839 164 HD3 ARG 21 2HD ARG 21 5.602 1.181 -26.050 165 HE ARG 21 HE ARG 21 3.807 0.049 -24.219 166 HH11 ARG 21 1HH1 ARG 21 4.021 0.849 -27.601 167 HH12 ARG 21 2HH1 ARG 21 2.946 -0.414 -28.101 168 HH21 ARG 21 1HH2 ARG 21 2.391 -1.618 -24.866 169 HH22 ARG 21 2HH2 ARG 21 2.018 -1.816 -26.545 170 H GLU 22 H GLU 22 8.792 5.008 -23.334 171 HA GLU 22 HA GLU 22 10.093 2.883 -21.851 172 HB2 GLU 22 1HB GLU 22 10.877 4.272 -24.017 173 HB3 GLU 22 2HB GLU 22 11.641 5.241 -22.765 174 HG2 GLU 22 1HG GLU 22 13.289 3.729 -23.323 175 HG3 GLU 22 2HG GLU 22 12.558 2.998 -21.895 176 H VAL 23 H VAL 23 11.710 3.405 -20.174 177 HA VAL 23 HA VAL 23 10.837 5.683 -18.518 178 HB VAL 23 HB VAL 23 11.659 4.258 -16.565 179 HG11 VAL 23 1HG1 VAL 23 9.499 2.844 -16.652 180 HG12 VAL 23 2HG1 VAL 23 9.362 4.603 -16.656 181 HG13 VAL 23 3HG1 VAL 23 9.187 3.700 -18.161 182 HG21 VAL 23 3HG2 VAL 23 12.489 2.567 -18.575 183 HG22 VAL 23 1HG2 VAL 23 12.348 2.154 -16.866 184 HG23 VAL 23 2HG2 VAL 23 11.025 1.790 -17.973 185 H THR 24 H THR 24 12.648 5.946 -16.672 186 HA THR 24 HA THR 24 15.325 5.765 -17.813 187 HB THR 24 HB THR 24 14.172 8.009 -18.445 188 HG1 THR 24 HG1 THR 24 16.647 8.311 -17.108 189 HG21 THR 24 3HG2 THR 24 15.171 8.969 -15.812 190 HG22 THR 24 1HG2 THR 24 13.574 8.223 -15.869 191 HG23 THR 24 2HG2 THR 24 13.921 9.641 -16.859 192 H MET 25 H MET 25 16.983 6.614 -16.204 193 HA MET 25 HA MET 25 16.243 6.766 -13.449 194 HB2 MET 25 1HB MET 25 16.841 4.703 -12.646 195 HB3 MET 25 2HB MET 25 16.197 4.237 -14.215 196 HG2 MET 25 1HG MET 25 19.103 4.629 -13.537 197 HG3 MET 25 2HG MET 25 18.278 3.085 -13.739 198 HE1 MET 25 3HE MET 25 18.196 2.154 -17.020 199 HE2 MET 25 1HE MET 25 17.196 2.305 -15.575 200 HE3 MET 25 2HE MET 25 16.814 3.250 -17.014 201 H LYS 26 H LYS 26 18.249 6.749 -12.027 202 HA LYS 26 HA LYS 26 20.571 7.775 -13.522 203 HB2 LYS 26 1HB LYS 26 19.232 8.908 -11.075 204 HB3 LYS 26 2HB LYS 26 20.903 9.288 -11.470 205 HG2 LYS 26 1HG LYS 26 19.858 11.046 -12.463 206 HG3 LYS 26 2HG LYS 26 19.854 9.903 -13.808 207 HD2 LYS 26 1HD LYS 26 17.659 10.530 -13.844 208 HD3 LYS 26 2HD LYS 26 17.553 9.185 -12.707 209 HE2 LYS 26 1HE LYS 26 18.125 11.903 -11.640 210 HE3 LYS 26 2HE LYS 26 16.484 11.542 -12.173 211 HZ1 LYS 26 3HZ LYS 26 17.879 10.652 -9.829 212 HZ2 LYS 26 1HZ LYS 26 17.148 9.382 -10.674 213 HZ3 LYS 26 2HZ LYS 26 16.218 10.692 -10.146 214 H LYS 27 H LYS 27 22.619 7.638 -12.355 215 HA LYS 27 HA LYS 27 23.186 5.114 -11.395 216 HB2 LYS 27 1HB LYS 27 25.269 6.214 -10.414 217 HB3 LYS 27 2HB LYS 27 25.006 6.412 -12.141 218 HG2 LYS 27 1HG LYS 27 23.763 8.555 -10.682 219 HG3 LYS 27 2HG LYS 27 25.468 8.410 -10.253 220 HD2 LYS 27 1HD LYS 27 25.651 8.153 -12.920 221 HD3 LYS 27 2HD LYS 27 24.209 9.166 -12.819 222 HE2 LYS 27 1HE LYS 27 25.848 10.768 -12.881 223 HE3 LYS 27 2HE LYS 27 25.678 10.545 -11.140 224 HZ1 LYS 27 3HZ LYS 27 27.916 9.965 -12.851 225 HZ2 LYS 27 1HZ LYS 27 27.527 8.691 -11.809 226 HZ3 LYS 27 2HZ LYS 27 27.871 10.223 -11.180 227 H GLY 28 H GLY 28 22.777 4.089 -9.550 228 HA2 GLY 28 1HA GLY 28 22.816 3.901 -7.181 229 HA3 GLY 28 2HA GLY 28 22.576 5.638 -7.067 230 H ASP 29 H ASP 29 20.475 4.808 -9.364 231 HA ASP 29 HA ASP 29 18.234 4.903 -7.559 232 HB2 ASP 29 1HB ASP 29 18.470 4.782 -10.564 233 HB3 ASP 29 2HB ASP 29 16.915 4.744 -9.737 234 H ILE 30 H ILE 30 16.409 3.374 -7.744 235 HA ILE 30 HA ILE 30 17.240 0.649 -8.458 236 HB ILE 30 HB ILE 30 15.776 1.316 -5.904 237 HG12 ILE 30 1HG1 ILE 30 18.660 0.480 -6.277 238 HG13 ILE 30 2HG1 ILE 30 18.125 2.104 -5.859 239 HG21 ILE 30 1HG2 ILE 30 15.394 -0.864 -5.690 240 HG22 ILE 30 2HG2 ILE 30 15.924 -1.048 -7.361 241 HG23 ILE 30 3HG2 ILE 30 17.077 -1.257 -6.043 242 HD11 ILE 30 3HD1 ILE 30 18.842 1.071 -3.862 243 HD12 ILE 30 1HD1 ILE 30 17.080 1.113 -3.804 244 HD13 ILE 30 2HD1 ILE 30 17.914 -0.389 -4.201 245 H LEU 31 H LEU 31 15.795 -0.327 -9.708 246 HA LEU 31 HA LEU 31 12.985 0.542 -9.559 247 HB2 LEU 31 1HB LEU 31 14.777 0.193 -11.906 248 HB3 LEU 31 2HB LEU 31 13.077 -0.235 -12.087 249 HG LEU 31 HG LEU 31 12.395 2.013 -11.612 250 HD11 LEU 31 1HD1 LEU 31 15.198 2.290 -10.690 251 HD12 LEU 31 2HD1 LEU 31 13.710 2.956 -10.019 252 HD13 LEU 31 3HD1 LEU 31 14.441 3.695 -11.443 253 HD21 LEU 31 3HD2 LEU 31 12.815 1.895 -13.870 254 HD22 LEU 31 1HD2 LEU 31 14.543 1.621 -13.645 255 HD23 LEU 31 2HD2 LEU 31 13.866 3.231 -13.397 256 H THR 32 H THR 32 11.446 -1.028 -9.584 257 HA THR 32 HA THR 32 12.275 -3.701 -8.987 258 HB THR 32 HB THR 32 9.432 -2.956 -9.603 259 HG1 THR 32 HG1 THR 32 9.285 -2.189 -7.438 260 HG21 THR 32 3HG2 THR 32 9.006 -4.943 -8.692 261 HG22 THR 32 1HG2 THR 32 9.858 -4.486 -7.218 262 HG23 THR 32 2HG2 THR 32 10.742 -5.224 -8.554 263 H LEU 33 H LEU 33 12.655 -5.286 -10.380 264 HA LEU 33 HA LEU 33 12.204 -4.953 -13.182 265 HB2 LEU 33 1HB LEU 33 14.080 -6.243 -11.958 266 HB3 LEU 33 2HB LEU 33 12.909 -7.558 -11.883 267 HG LEU 33 HG LEU 33 14.524 -7.763 -13.750 268 HD11 LEU 33 1HD1 LEU 33 12.979 -8.833 -14.959 269 HD12 LEU 33 2HD1 LEU 33 12.033 -7.368 -15.221 270 HD13 LEU 33 3HD1 LEU 33 11.841 -8.286 -13.727 271 HD21 LEU 33 3HD2 LEU 33 14.727 -6.234 -15.441 272 HD22 LEU 33 1HD2 LEU 33 14.402 -5.156 -14.083 273 HD23 LEU 33 2HD2 LEU 33 13.105 -5.583 -15.199 274 H LEU 34 H LEU 34 10.599 -5.703 -14.436 275 HA LEU 34 HA LEU 34 8.451 -7.213 -13.113 276 HB2 LEU 34 1HB LEU 34 8.522 -5.131 -15.215 277 HB3 LEU 34 2HB LEU 34 7.298 -6.388 -15.384 278 HG LEU 34 HG LEU 34 6.370 -4.435 -14.291 279 HD11 LEU 34 1HD1 LEU 34 6.263 -7.057 -13.332 280 HD12 LEU 34 2HD1 LEU 34 5.093 -5.767 -13.060 281 HD13 LEU 34 3HD1 LEU 34 6.396 -6.033 -11.902 282 HD21 LEU 34 3HD2 LEU 34 7.195 -3.848 -11.991 283 HD22 LEU 34 1HD2 LEU 34 8.284 -3.422 -13.312 284 HD23 LEU 34 2HD2 LEU 34 8.612 -4.845 -12.323 285 H ASN 35 H ASN 35 10.174 -6.965 -16.218 286 HA ASN 35 HA ASN 35 9.944 -9.862 -16.516 287 HB2 ASN 35 1HB ASN 35 8.419 -7.969 -18.046 288 HB3 ASN 35 2HB ASN 35 9.552 -8.800 -19.109 289 HD21 ASN 35 2HD2 ASN 35 8.870 -10.628 -19.942 290 HD22 ASN 35 1HD2 ASN 35 7.638 -11.649 -19.291 291 H SER 36 H SER 36 11.927 -10.603 -16.829 292 HA SER 36 HA SER 36 13.819 -8.956 -18.377 293 HB2 SER 36 1HB SER 36 15.591 -10.226 -17.002 294 HB3 SER 36 2HB SER 36 14.681 -8.955 -16.185 295 HG SER 36 HG SER 36 14.936 -11.183 -15.174 296 H THR 37 H THR 37 12.146 -10.696 -19.690 297 HA THR 37 HA THR 37 13.304 -13.277 -20.054 298 HB THR 37 HB THR 37 10.952 -12.932 -20.553 299 HG1 THR 37 HG1 THR 37 11.170 -13.620 -22.944 300 HG21 THR 37 3HG2 THR 37 10.261 -11.625 -22.528 301 HG22 THR 37 1HG2 THR 37 11.927 -11.086 -22.737 302 HG23 THR 37 2HG2 THR 37 11.022 -10.619 -21.297 303 H ASN 38 H ASN 38 13.832 -10.143 -21.453 304 HA ASN 38 HA ASN 38 15.276 -11.143 -23.742 305 HB2 ASN 38 1HB ASN 38 13.946 -8.870 -23.405 306 HB3 ASN 38 2HB ASN 38 15.519 -8.306 -22.846 307 HD21 ASN 38 2HD2 ASN 38 14.286 -10.354 -25.474 308 HD22 ASN 38 1HD2 ASN 38 15.195 -9.584 -26.726 309 H LYS 39 H LYS 39 17.534 -10.391 -24.160 310 HA LYS 39 HA LYS 39 19.136 -10.616 -21.697 311 HB2 LYS 39 1HB LYS 39 20.939 -11.458 -23.288 312 HB3 LYS 39 2HB LYS 39 19.573 -12.530 -23.006 313 HG2 LYS 39 1HG LYS 39 19.353 -10.695 -25.309 314 HG3 LYS 39 2HG LYS 39 20.542 -11.994 -25.436 315 HD2 LYS 39 1HD LYS 39 17.748 -12.576 -24.528 316 HD3 LYS 39 2HD LYS 39 18.112 -12.409 -26.247 317 HE2 LYS 39 1HE LYS 39 20.016 -14.096 -25.750 318 HE3 LYS 39 2HE LYS 39 19.093 -14.453 -24.291 319 HZ1 LYS 39 3HZ LYS 39 17.789 -14.485 -26.936 320 HZ2 LYS 39 1HZ LYS 39 17.323 -15.269 -25.511 321 HZ3 LYS 39 2HZ LYS 39 18.654 -15.832 -26.389 322 H ASP 40 H ASP 40 18.042 -8.192 -23.121 323 HA ASP 40 HA ASP 40 20.568 -6.718 -23.169 324 HB2 ASP 40 1HB ASP 40 18.514 -6.734 -25.378 325 HB3 ASP 40 2HB ASP 40 19.662 -5.414 -25.172 326 H TRP 41 H TRP 41 17.053 -6.275 -23.598 327 HA TRP 41 HA TRP 41 17.212 -4.036 -21.686 328 HB2 TRP 41 1HB TRP 41 15.220 -4.372 -23.939 329 HB3 TRP 41 2HB TRP 41 15.347 -2.994 -22.849 330 HD1 TRP 41 HD1 TRP 41 17.452 -4.749 -25.589 331 HE1 TRP 41 HE1 TRP 41 18.899 -2.960 -26.744 332 HE3 TRP 41 HE3 TRP 41 16.220 -0.717 -22.697 333 HZ2 TRP 41 HZ2 TRP 41 19.446 -0.205 -26.465 334 HZ3 TRP 41 HZ3 TRP 41 17.249 1.459 -23.207 335 HH2 TRP 41 HH2 TRP 41 18.829 1.707 -25.052 336 H TRP 42 H TRP 42 15.916 -4.086 -19.941 337 HA TRP 42 HA TRP 42 13.979 -6.299 -19.764 338 HB2 TRP 42 1HB TRP 42 15.385 -4.956 -17.451 339 HB3 TRP 42 2HB TRP 42 14.409 -6.422 -17.403 340 HD1 TRP 42 HD1 TRP 42 15.814 -7.819 -19.980 341 HE1 TRP 42 HE1 TRP 42 18.167 -8.817 -19.683 342 HE3 TRP 42 HE3 TRP 42 17.275 -5.228 -15.822 343 HZ2 TRP 42 HZ2 TRP 42 20.354 -8.543 -17.919 344 HZ3 TRP 42 HZ3 TRP 42 19.513 -5.655 -14.892 345 HH2 TRP 42 HH2 TRP 42 21.019 -7.279 -15.920 346 H LYS 43 H LYS 43 12.048 -5.924 -18.522 347 HA LYS 43 HA LYS 43 11.125 -3.157 -18.772 348 HB2 LYS 43 1HB LYS 43 9.724 -4.768 -19.878 349 HB3 LYS 43 2HB LYS 43 9.642 -5.767 -18.433 350 HG2 LYS 43 1HG LYS 43 7.808 -4.704 -17.813 351 HG3 LYS 43 2HG LYS 43 8.713 -3.191 -17.731 352 HD2 LYS 43 1HD LYS 43 7.099 -2.621 -19.256 353 HD3 LYS 43 2HD LYS 43 8.355 -3.224 -20.340 354 HE2 LYS 43 1HE LYS 43 7.253 -5.307 -20.598 355 HE3 LYS 43 2HE LYS 43 6.147 -4.966 -19.269 356 HZ1 LYS 43 3HZ LYS 43 5.896 -4.308 -22.016 357 HZ2 LYS 43 1HZ LYS 43 5.812 -2.908 -21.069 358 HZ3 LYS 43 2HZ LYS 43 4.746 -4.190 -20.781 359 H VAL 44 H VAL 44 11.174 -1.916 -17.028 360 HA VAL 44 HA VAL 44 10.788 -3.175 -14.389 361 HB VAL 44 HB VAL 44 12.132 -1.370 -13.419 362 HG11 VAL 44 1HG1 VAL 44 14.261 -2.178 -14.069 363 HG12 VAL 44 2HG1 VAL 44 13.142 -3.530 -14.248 364 HG13 VAL 44 3HG1 VAL 44 13.678 -2.634 -15.669 365 HG21 VAL 44 3HG2 VAL 44 13.418 0.134 -14.884 366 HG22 VAL 44 1HG2 VAL 44 12.553 -0.511 -16.280 367 HG23 VAL 44 2HG2 VAL 44 11.679 0.382 -15.036 368 H GLU 45 H GLU 45 9.819 -1.759 -12.739 369 HA GLU 45 HA GLU 45 7.797 0.008 -13.947 370 HB2 GLU 45 1HB GLU 45 6.740 -1.863 -12.898 371 HB3 GLU 45 2HB GLU 45 7.721 -1.684 -11.450 372 HG2 GLU 45 1HG GLU 45 6.515 0.126 -10.690 373 HG3 GLU 45 2HG GLU 45 5.916 0.533 -12.297 374 H VAL 46 H VAL 46 8.069 2.101 -13.601 375 HA VAL 46 HA VAL 46 9.682 2.969 -11.305 376 HB VAL 46 HB VAL 46 9.935 5.103 -12.474 377 HG11 VAL 46 1HG1 VAL 46 11.662 4.326 -13.671 378 HG12 VAL 46 2HG1 VAL 46 11.152 2.737 -13.098 379 HG13 VAL 46 3HG1 VAL 46 10.630 3.315 -14.681 380 HG21 VAL 46 3HG2 VAL 46 7.800 5.180 -13.629 381 HG22 VAL 46 1HG2 VAL 46 9.123 5.355 -14.782 382 HG23 VAL 46 2HG2 VAL 46 8.275 3.815 -14.640 383 H LYS 47 H LYS 47 9.022 4.944 -10.182 384 HA LYS 47 HA LYS 47 6.103 5.030 -9.868 385 HB2 LYS 47 1HB LYS 47 8.405 5.418 -8.035 386 HB3 LYS 47 2HB LYS 47 6.990 6.421 -7.744 387 HG2 LYS 47 1HG LYS 47 6.577 3.507 -8.129 388 HG3 LYS 47 2HG LYS 47 7.283 4.060 -6.609 389 HD2 LYS 47 1HD LYS 47 5.324 5.730 -6.554 390 HD3 LYS 47 2HD LYS 47 4.592 4.689 -7.777 391 HE2 LYS 47 1HE LYS 47 3.823 4.087 -5.545 392 HE3 LYS 47 2HE LYS 47 4.767 2.781 -6.260 393 HZ1 LYS 47 3HZ LYS 47 5.202 3.495 -3.827 394 HZ2 LYS 47 1HZ LYS 47 6.093 4.752 -4.526 395 HZ3 LYS 47 2HZ LYS 47 6.515 3.144 -4.835 396 H ALA 48 H ALA 48 4.962 6.930 -9.984 397 HA ALA 48 HA ALA 48 6.448 9.377 -10.637 398 HB1 ALA 48 1HB ALA 48 4.438 9.751 -12.306 399 HB2 ALA 48 2HB ALA 48 5.885 8.867 -12.790 400 HB3 ALA 48 3HB ALA 48 4.431 7.987 -12.320 401 H THR 49 H THR 49 5.283 11.338 -10.260 402 HA THR 49 HA THR 49 2.876 11.045 -8.593 403 HB THR 49 HB THR 49 5.193 12.888 -7.975 404 HG1 THR 49 HG1 THR 49 5.917 11.149 -7.009 405 HG21 THR 49 3HG2 THR 49 3.845 13.109 -5.793 406 HG22 THR 49 1HG2 THR 49 2.489 12.484 -6.731 407 HG23 THR 49 2HG2 THR 49 3.274 13.989 -7.210 408 H ALA 50 H ALA 50 1.299 12.009 -9.695 409 HA ALA 50 HA ALA 50 1.751 14.733 -10.679 410 HB1 ALA 50 1HB ALA 50 0.436 14.194 -12.729 411 HB2 ALA 50 2HB ALA 50 2.010 13.402 -12.649 412 HB3 ALA 50 3HB ALA 50 0.545 12.490 -12.288 413 H ASN 51 H ASN 51 -0.047 16.073 -10.625 414 HA ASN 51 HA ASN 51 -1.986 16.894 -9.762 415 HB2 ASN 51 1HB ASN 51 -3.187 14.173 -10.249 416 HB3 ASN 51 2HB ASN 51 -3.977 15.745 -10.328 417 HD21 ASN 51 2HD2 ASN 51 -2.135 13.392 -12.001 418 HD22 ASN 51 1HD2 ASN 51 -2.097 14.187 -13.534 419 H GLY 52 H GLY 52 -0.164 15.850 -7.875 420 HA2 GLY 52 1HA GLY 52 -0.074 15.392 -5.627 421 HA3 GLY 52 2HA GLY 52 -1.797 15.737 -5.580 422 H LYS 53 H LYS 53 -0.787 13.272 -7.742 423 HA LYS 53 HA LYS 53 -1.554 11.200 -5.795 424 HB2 LYS 53 1HB LYS 53 -3.245 11.916 -7.711 425 HB3 LYS 53 2HB LYS 53 -2.240 10.842 -8.676 426 HG2 LYS 53 1HG LYS 53 -3.907 9.434 -7.944 427 HG3 LYS 53 2HG LYS 53 -2.632 9.149 -6.757 428 HD2 LYS 53 1HD LYS 53 -4.630 9.382 -5.518 429 HD3 LYS 53 2HD LYS 53 -3.763 10.907 -5.324 430 HE2 LYS 53 1HE LYS 53 -5.197 12.033 -6.804 431 HE3 LYS 53 2HE LYS 53 -5.842 10.528 -7.458 432 HZ1 LYS 53 3HZ LYS 53 -7.482 10.706 -6.000 433 HZ2 LYS 53 1HZ LYS 53 -6.768 12.051 -5.263 434 HZ3 LYS 53 2HZ LYS 53 -6.371 10.492 -4.743 435 H THR 54 H THR 54 -0.577 9.169 -6.047 436 HA THR 54 HA THR 54 1.896 9.237 -7.634 437 HB THR 54 HB THR 54 2.313 7.111 -6.075 438 HG1 THR 54 HG1 THR 54 0.198 7.417 -5.075 439 HG21 THR 54 3HG2 THR 54 3.445 9.487 -6.259 440 HG22 THR 54 1HG2 THR 54 3.787 8.421 -4.897 441 HG23 THR 54 2HG2 THR 54 2.634 9.743 -4.714 442 H TYR 55 H TYR 55 2.101 7.958 -9.349 443 HA TYR 55 HA TYR 55 0.485 5.513 -9.511 444 HB2 TYR 55 1HB TYR 55 -0.188 5.965 -11.765 445 HB3 TYR 55 2HB TYR 55 -0.601 7.379 -10.800 446 HD1 TYR 55 HD2 TYR 55 0.690 9.461 -11.035 447 HD2 TYR 55 HD1 TYR 55 1.464 6.084 -13.505 448 HE1 TYR 55 HE2 TYR 55 1.946 10.894 -12.590 449 HE2 TYR 55 HE1 TYR 55 2.724 7.507 -15.066 450 HH TYR 55 HH TYR 55 3.520 9.540 -15.471 451 H GLU 56 H GLU 56 1.475 3.791 -10.468 452 HA GLU 56 HA GLU 56 4.307 4.151 -11.133 453 HB2 GLU 56 1HB GLU 56 2.792 1.597 -10.566 454 HB3 GLU 56 2HB GLU 56 4.531 1.753 -10.764 455 HG2 GLU 56 1HG GLU 56 4.809 2.782 -8.717 456 HG3 GLU 56 2HG GLU 56 3.128 3.307 -8.637 457 H ARG 57 H ARG 57 5.136 3.673 -13.099 458 HA ARG 57 HA ARG 57 3.272 2.638 -15.134 459 HB2 ARG 57 1HB ARG 57 4.475 4.063 -16.780 460 HB3 ARG 57 2HB ARG 57 3.622 4.986 -15.549 461 HG2 ARG 57 1HG ARG 57 5.947 4.939 -14.342 462 HG3 ARG 57 2HG ARG 57 6.546 4.639 -15.975 463 HD2 ARG 57 1HD ARG 57 4.646 6.887 -15.407 464 HD3 ARG 57 2HD ARG 57 6.379 7.074 -15.145 465 HE ARG 57 HE ARG 57 5.006 6.945 -17.674 466 HH11 ARG 57 1HH1 ARG 57 8.043 6.552 -16.019 467 HH12 ARG 57 2HH1 ARG 57 9.000 6.811 -17.440 468 HH21 ARG 57 1HH2 ARG 57 6.255 7.289 -19.552 469 HH22 ARG 57 2HH2 ARG 57 7.982 7.231 -19.449 470 H GLN 58 H GLN 58 4.108 1.256 -16.704 471 HA GLN 58 HA GLN 58 6.598 -0.063 -15.926 472 HB2 GLN 58 1HB GLN 58 4.308 -0.891 -17.704 473 HB3 GLN 58 2HB GLN 58 5.804 -1.809 -17.599 474 HG2 GLN 58 1HG GLN 58 5.424 -2.404 -15.377 475 HG3 GLN 58 2HG GLN 58 4.213 -1.143 -15.153 476 HE21 GLN 58 2HE2 GLN 58 4.871 -4.270 -16.551 477 HE22 GLN 58 1HE2 GLN 58 3.223 -4.742 -16.764 478 H GLY 59 H GLY 59 8.399 -0.076 -17.152 479 HA2 GLY 59 1HA GLY 59 8.255 0.813 -19.934 480 HA3 GLY 59 2HA GLY 59 9.230 1.776 -18.835 481 H PHE 60 H PHE 60 10.626 0.903 -20.832 482 HA PHE 60 HA PHE 60 11.953 -1.568 -19.931 483 HB2 PHE 60 1HB PHE 60 11.912 -0.321 -22.687 484 HB3 PHE 60 2HB PHE 60 12.788 -1.783 -22.247 485 HD1 PHE 60 HD2 PHE 60 9.495 -0.321 -22.878 486 HD2 PHE 60 HD1 PHE 60 11.633 -3.866 -21.887 487 HE1 PHE 60 HE2 PHE 60 7.499 -1.665 -23.390 488 HE2 PHE 60 HE1 PHE 60 9.640 -5.215 -22.398 489 HZ PHE 60 HZ PHE 60 7.569 -4.115 -23.149 490 H VAL 61 H VAL 61 14.166 -1.608 -19.678 491 HA VAL 61 HA VAL 61 15.639 0.890 -20.121 492 HB VAL 61 HB VAL 61 16.762 0.610 -17.910 493 HG11 VAL 61 1HG1 VAL 61 14.636 2.047 -18.474 494 HG12 VAL 61 2HG1 VAL 61 13.854 0.934 -17.349 495 HG13 VAL 61 3HG1 VAL 61 15.223 1.912 -16.817 496 HG21 VAL 61 3HG2 VAL 61 16.139 -0.945 -16.356 497 HG22 VAL 61 1HG2 VAL 61 14.491 -1.063 -16.973 498 HG23 VAL 61 2HG2 VAL 61 15.813 -1.859 -17.828 499 HA PRO 62 HA PRO 62 18.800 -1.741 -21.670 500 HB2 PRO 62 1HB PRO 62 20.987 -0.205 -21.192 501 HB3 PRO 62 2HB PRO 62 19.812 0.165 -22.460 502 HG2 PRO 62 1HG PRO 62 20.064 1.327 -19.712 503 HG3 PRO 62 2HG PRO 62 19.742 2.150 -21.250 504 HD2 PRO 62 1HD PRO 62 17.784 1.566 -19.472 505 HD3 PRO 62 2HD PRO 62 17.506 1.591 -21.225 506 H ALA 63 H ALA 63 19.630 -3.520 -20.791 507 HA ALA 63 HA ALA 63 20.002 -3.886 -18.029 508 HB1 ALA 63 1HB ALA 63 21.024 -5.500 -20.361 509 HB2 ALA 63 2HB ALA 63 21.092 -6.018 -18.676 510 HB3 ALA 63 3HB ALA 63 19.532 -5.762 -19.457 511 H ALA 64 H ALA 64 21.976 -2.379 -20.336 512 HA ALA 64 HA ALA 64 24.512 -2.965 -19.126 513 HB1 ALA 64 1HB ALA 64 25.146 -2.294 -21.147 514 HB2 ALA 64 2HB ALA 64 23.563 -1.585 -21.472 515 HB3 ALA 64 3HB ALA 64 24.798 -0.641 -20.639 516 H TYR 65 H TYR 65 22.014 -0.606 -18.673 517 HA TYR 65 HA TYR 65 23.759 0.963 -16.903 518 HB2 TYR 65 1HB TYR 65 21.055 1.676 -18.059 519 HB3 TYR 65 2HB TYR 65 22.051 2.724 -17.055 520 HD1 TYR 65 HD1 TYR 65 24.696 1.767 -18.447 521 HD2 TYR 65 HD2 TYR 65 20.984 3.266 -19.888 522 HE1 TYR 65 HE1 TYR 65 25.828 2.619 -20.458 523 HE2 TYR 65 HE2 TYR 65 22.105 4.121 -21.903 524 HH TYR 65 HH TYR 65 25.616 3.851 -22.308 525 H VAL 66 H VAL 66 21.576 -1.506 -16.781 526 HA VAL 66 HA VAL 66 21.029 -0.985 -13.954 527 HB VAL 66 HB VAL 66 18.707 -1.665 -14.131 528 HG11 VAL 66 1HG1 VAL 66 19.486 0.578 -15.986 529 HG12 VAL 66 2HG1 VAL 66 17.832 0.274 -15.452 530 HG13 VAL 66 3HG1 VAL 66 19.078 0.688 -14.274 531 HG21 VAL 66 3HG2 VAL 66 18.168 -2.993 -15.846 532 HG22 VAL 66 1HG2 VAL 66 18.024 -1.514 -16.796 533 HG23 VAL 66 2HG2 VAL 66 19.530 -2.432 -16.816 534 H LYS 67 H LYS 67 21.245 -2.746 -12.699 535 HA LYS 67 HA LYS 67 21.313 -5.385 -13.996 536 HB2 LYS 67 1HB LYS 67 23.613 -4.756 -13.664 537 HB3 LYS 67 2HB LYS 67 23.292 -4.270 -12.005 538 HG2 LYS 67 1HG LYS 67 24.424 -6.388 -12.020 539 HG3 LYS 67 2HG LYS 67 22.769 -6.614 -11.450 540 HD2 LYS 67 1HD LYS 67 23.117 -8.386 -12.941 541 HD3 LYS 67 2HD LYS 67 22.211 -7.198 -13.881 542 HE2 LYS 67 1HE LYS 67 24.538 -6.357 -14.622 543 HE3 LYS 67 2HE LYS 67 25.118 -7.915 -14.035 544 HZ1 LYS 67 3HZ LYS 67 23.017 -8.629 -15.548 545 HZ2 LYS 67 1HZ LYS 67 24.619 -8.599 -16.089 546 HZ3 LYS 67 2HZ LYS 67 23.596 -7.291 -16.406 547 H LYS 68 H LYS 68 20.574 -7.111 -12.771 548 HA LYS 68 HA LYS 68 18.585 -6.556 -10.862 549 HB2 LYS 68 1HB LYS 68 18.760 -8.593 -12.365 550 HB3 LYS 68 2HB LYS 68 19.957 -9.218 -11.238 551 HG2 LYS 68 1HG LYS 68 18.280 -9.112 -9.437 552 HG3 LYS 68 2HG LYS 68 17.083 -8.567 -10.616 553 HD2 LYS 68 1HD LYS 68 16.851 -10.950 -10.240 554 HD3 LYS 68 2HD LYS 68 17.421 -10.654 -11.884 555 HE2 LYS 68 1HE LYS 68 19.479 -11.063 -9.794 556 HE3 LYS 68 2HE LYS 68 18.527 -12.470 -10.264 557 HZ1 LYS 68 3HZ LYS 68 19.642 -12.633 -12.160 558 HZ2 LYS 68 1HZ LYS 68 20.720 -11.471 -11.568 559 HZ3 LYS 68 2HZ LYS 68 19.415 -10.999 -12.535 560 H LEU 69 H LEU 69 18.493 -6.966 -8.633 561 HA LEU 69 HA LEU 69 21.123 -7.047 -7.307 562 HB2 LEU 69 1HB LEU 69 18.570 -5.756 -6.358 563 HB3 LEU 69 2HB LEU 69 20.094 -5.788 -5.474 564 HG LEU 69 HG LEU 69 20.043 -4.558 -8.189 565 HD11 LEU 69 1HD1 LEU 69 19.558 -2.377 -6.811 566 HD12 LEU 69 2HD1 LEU 69 18.688 -3.495 -5.762 567 HD13 LEU 69 3HD1 LEU 69 18.240 -3.352 -7.461 568 HD21 LEU 69 3HD2 LEU 69 21.416 -3.195 -6.029 569 HD22 LEU 69 1HD2 LEU 69 22.037 -3.783 -7.571 570 HD23 LEU 69 2HD2 LEU 69 21.930 -4.875 -6.190 571 H ASP 70 H ASP 70 20.308 -9.466 -7.835 572 HA ASP 70 HA ASP 70 19.523 -10.514 -5.235 573 HB2 ASP 70 1HB ASP 70 17.997 -11.037 -7.783 574 HB3 ASP 70 2HB ASP 70 17.929 -12.133 -6.406 Start of MODEL 17 1 H1 MET 1 H MET 1 1.087 -0.458 0.036 2 HA MET 1 HA MET 1 2.434 -1.143 -1.713 3 HB2 MET 1 1HB MET 1 2.529 1.872 -1.772 4 HB3 MET 1 2HB MET 1 3.124 0.869 -3.088 5 HG2 MET 1 1HG MET 1 0.727 -0.186 -2.941 6 HG3 MET 1 2HG MET 1 0.336 1.355 -2.181 7 HE1 MET 1 3HE MET 1 -1.147 1.766 -5.692 8 HE2 MET 1 1HE MET 1 -0.613 0.095 -5.508 9 HE3 MET 1 2HE MET 1 -1.359 0.936 -4.149 10 H ASP 2 H ASP 2 3.884 -1.159 0.759 11 HA ASP 2 HA ASP 2 6.533 -0.154 0.016 12 HB2 ASP 2 1HB ASP 2 7.139 -0.818 2.365 13 HB3 ASP 2 2HB ASP 2 5.893 0.423 2.253 14 H GLU 3 H GLU 3 5.563 -2.294 -1.505 15 HA GLU 3 HA GLU 3 7.221 -4.536 -0.551 16 HB2 GLU 3 1HB GLU 3 5.796 -5.888 -2.201 17 HB3 GLU 3 2HB GLU 3 5.038 -5.375 -0.700 18 HG2 GLU 3 1HG GLU 3 3.878 -3.607 -1.812 19 HG3 GLU 3 2HG GLU 3 4.763 -3.903 -3.307 20 H THR 4 H THR 4 9.155 -4.310 -1.497 21 HA THR 4 HA THR 4 9.372 -4.615 -4.336 22 HB THR 4 HB THR 4 10.985 -2.471 -4.302 23 HG1 THR 4 HG1 THR 4 8.786 -1.582 -2.747 24 HG21 THR 4 3HG2 THR 4 8.063 -1.971 -4.711 25 HG22 THR 4 1HG2 THR 4 8.913 -3.115 -5.748 26 HG23 THR 4 2HG2 THR 4 9.435 -1.432 -5.677 27 H GLY 5 H GLY 5 11.051 -5.918 -4.651 28 HA2 GLY 5 1HA GLY 5 13.648 -5.642 -4.036 29 HA3 GLY 5 2HA GLY 5 13.001 -6.287 -2.534 30 H LYS 6 H LYS 6 10.964 -7.762 -4.307 31 HA LYS 6 HA LYS 6 12.063 -10.278 -4.228 32 HB2 LYS 6 1HB LYS 6 10.201 -11.012 -5.382 33 HB3 LYS 6 2HB LYS 6 9.636 -9.462 -4.774 34 HG2 LYS 6 1HG LYS 6 10.773 -9.877 -7.529 35 HG3 LYS 6 2HG LYS 6 9.050 -9.912 -7.146 36 HD2 LYS 6 1HD LYS 6 10.556 -7.555 -6.195 37 HD3 LYS 6 2HD LYS 6 10.349 -7.697 -7.942 38 HE2 LYS 6 1HE LYS 6 8.563 -6.409 -6.668 39 HE3 LYS 6 2HE LYS 6 8.007 -7.663 -7.775 40 HZ1 LYS 6 3HZ LYS 6 8.330 -8.026 -4.846 41 HZ2 LYS 6 1HZ LYS 6 7.681 -9.146 -5.934 42 HZ3 LYS 6 2HZ LYS 6 6.860 -7.702 -5.617 43 H GLU 7 H GLU 7 12.453 -7.814 -6.671 44 HA GLU 7 HA GLU 7 14.689 -9.208 -7.804 45 HB2 GLU 7 1HB GLU 7 12.069 -9.112 -9.228 46 HB3 GLU 7 2HB GLU 7 13.538 -8.914 -10.174 47 HG2 GLU 7 1HG GLU 7 13.621 -11.124 -10.285 48 HG3 GLU 7 2HG GLU 7 14.081 -11.102 -8.584 49 H LEU 8 H LEU 8 14.709 -6.838 -6.545 50 HA LEU 8 HA LEU 8 14.364 -4.618 -8.319 51 HB2 LEU 8 1HB LEU 8 15.286 -5.052 -5.558 52 HB3 LEU 8 2HB LEU 8 15.997 -3.666 -6.381 53 HG LEU 8 HG LEU 8 13.025 -4.093 -6.150 54 HD11 LEU 8 1HD1 LEU 8 12.944 -3.049 -4.146 55 HD12 LEU 8 2HD1 LEU 8 14.384 -2.082 -4.465 56 HD13 LEU 8 3HD1 LEU 8 14.546 -3.768 -3.976 57 HD21 LEU 8 3HD2 LEU 8 14.094 -1.392 -6.357 58 HD22 LEU 8 1HD2 LEU 8 12.808 -2.177 -7.275 59 HD23 LEU 8 2HD2 LEU 8 14.492 -2.403 -7.748 60 H VAL 9 H VAL 9 15.957 -3.360 -9.309 61 HA VAL 9 HA VAL 9 18.613 -4.619 -9.529 62 HB VAL 9 HB VAL 9 18.727 -4.092 -11.861 63 HG11 VAL 9 1HG1 VAL 9 16.997 -5.960 -10.798 64 HG12 VAL 9 2HG1 VAL 9 16.028 -5.157 -12.035 65 HG13 VAL 9 3HG1 VAL 9 17.569 -5.901 -12.465 66 HG21 VAL 9 3HG2 VAL 9 16.511 -2.318 -11.213 67 HG22 VAL 9 1HG2 VAL 9 17.681 -2.235 -12.530 68 HG23 VAL 9 2HG2 VAL 9 16.242 -3.242 -12.691 69 H LEU 10 H LEU 10 20.380 -3.223 -9.855 70 HA LEU 10 HA LEU 10 19.898 -0.496 -8.903 71 HB2 LEU 10 1HB LEU 10 21.495 -1.532 -7.563 72 HB3 LEU 10 2HB LEU 10 22.282 -2.306 -8.937 73 HG LEU 10 HG LEU 10 23.175 -0.114 -9.628 74 HD11 LEU 10 1HD1 LEU 10 22.846 1.326 -7.203 75 HD12 LEU 10 2HD1 LEU 10 21.251 0.852 -7.787 76 HD13 LEU 10 3HD1 LEU 10 22.334 1.772 -8.831 77 HD21 LEU 10 3HD2 LEU 10 23.785 -1.310 -6.968 78 HD22 LEU 10 1HD2 LEU 10 24.593 0.186 -7.438 79 HD23 LEU 10 2HD2 LEU 10 24.763 -1.259 -8.435 80 H ALA 11 H ALA 11 20.507 1.305 -10.027 81 HA ALA 11 HA ALA 11 21.055 0.911 -12.865 82 HB1 ALA 11 1HB ALA 11 19.951 3.131 -11.222 83 HB2 ALA 11 2HB ALA 11 20.728 3.525 -12.757 84 HB3 ALA 11 3HB ALA 11 19.349 2.425 -12.723 85 H LEU 12 H LEU 12 23.193 0.557 -13.171 86 HA LEU 12 HA LEU 12 25.281 1.710 -11.689 87 HB2 LEU 12 1HB LEU 12 25.458 0.773 -14.543 88 HB3 LEU 12 2HB LEU 12 26.756 0.846 -13.352 89 HG LEU 12 HG LEU 12 24.378 -0.996 -13.140 90 HD11 LEU 12 1HD1 LEU 12 25.336 -2.127 -14.811 91 HD12 LEU 12 2HD1 LEU 12 26.564 -2.564 -13.624 92 HD13 LEU 12 3HD1 LEU 12 26.832 -1.199 -14.708 93 HD21 LEU 12 3HD2 LEU 12 25.595 -2.071 -11.406 94 HD22 LEU 12 1HD2 LEU 12 25.604 -0.344 -11.047 95 HD23 LEU 12 2HD2 LEU 12 27.038 -1.109 -11.733 96 H TYR 13 H TYR 13 24.054 2.542 -14.930 97 HA TYR 13 HA TYR 13 25.304 5.192 -14.616 98 HB2 TYR 13 1HB TYR 13 24.694 3.691 -17.171 99 HB3 TYR 13 2HB TYR 13 25.400 5.301 -17.076 100 HD1 TYR 13 HD2 TYR 13 27.697 5.592 -16.191 101 HD2 TYR 13 HD1 TYR 13 26.019 1.733 -16.824 102 HE1 TYR 13 HE2 TYR 13 29.946 4.603 -16.086 103 HE2 TYR 13 HE1 TYR 13 28.264 0.734 -16.719 104 HH TYR 13 HH TYR 13 31.048 2.431 -17.027 105 H ASP 14 H ASP 14 24.154 7.017 -15.393 106 HA ASP 14 HA ASP 14 21.369 6.940 -14.849 107 HB2 ASP 14 1HB ASP 14 21.373 9.296 -15.332 108 HB3 ASP 14 2HB ASP 14 22.855 8.918 -14.458 109 H TYR 15 H TYR 15 19.701 7.786 -16.362 110 HA TYR 15 HA TYR 15 20.226 7.139 -19.171 111 HB2 TYR 15 1HB TYR 15 19.143 5.211 -17.763 112 HB3 TYR 15 2HB TYR 15 17.680 6.176 -17.918 113 HD1 TYR 15 HD1 TYR 15 20.462 5.078 -20.172 114 HD2 TYR 15 HD2 TYR 15 16.267 5.502 -19.601 115 HE1 TYR 15 HE1 TYR 15 20.067 4.108 -22.398 116 HE2 TYR 15 HE2 TYR 15 15.861 4.532 -21.824 117 HH TYR 15 HH TYR 15 16.822 3.929 -23.773 118 H GLN 16 H GLN 16 18.181 7.706 -20.510 119 HA GLN 16 HA GLN 16 16.649 9.919 -19.423 120 HB2 GLN 16 1HB GLN 16 18.961 10.298 -21.139 121 HB3 GLN 16 2HB GLN 16 17.500 10.959 -21.862 122 HG2 GLN 16 1HG GLN 16 18.147 12.773 -20.682 123 HG3 GLN 16 2HG GLN 16 17.208 11.966 -19.428 124 HE21 GLN 16 2HE2 GLN 16 18.193 12.251 -17.564 125 HE22 GLN 16 1HE2 GLN 16 19.884 12.061 -17.266 126 H GLU 17 H GLU 17 14.731 8.937 -19.827 127 HA GLU 17 HA GLU 17 14.030 7.326 -21.949 128 HB2 GLU 17 1HB GLU 17 11.663 8.139 -21.507 129 HB3 GLU 17 2HB GLU 17 12.526 7.461 -20.133 130 HG2 GLU 17 1HG GLU 17 12.692 9.468 -19.063 131 HG3 GLU 17 2HG GLU 17 12.653 10.396 -20.561 132 H LYS 18 H LYS 18 12.954 7.663 -23.919 133 HA LYS 18 HA LYS 18 13.196 10.393 -25.005 134 HB2 LYS 18 1HB LYS 18 13.426 7.926 -26.704 135 HB3 LYS 18 2HB LYS 18 13.961 9.562 -27.063 136 HG2 LYS 18 1HG LYS 18 15.975 8.666 -26.585 137 HG3 LYS 18 2HG LYS 18 15.499 9.083 -24.937 138 HD2 LYS 18 1HD LYS 18 16.321 6.837 -24.919 139 HD3 LYS 18 2HD LYS 18 14.570 6.773 -24.707 140 HE2 LYS 18 1HE LYS 18 15.452 6.667 -27.498 141 HE3 LYS 18 2HE LYS 18 15.995 5.306 -26.517 142 HZ1 LYS 18 3HZ LYS 18 13.299 5.805 -25.938 143 HZ2 LYS 18 1HZ LYS 18 13.981 4.437 -26.664 144 HZ3 LYS 18 2HZ LYS 18 13.466 5.733 -27.620 145 H SER 19 H SER 19 11.357 7.409 -24.911 146 HA SER 19 HA SER 19 9.160 8.761 -26.335 147 HB2 SER 19 1HB SER 19 10.271 6.086 -26.551 148 HB3 SER 19 2HB SER 19 8.539 6.041 -26.219 149 HG SER 19 HG SER 19 9.562 7.762 -28.196 150 HA PRO 20 HA PRO 20 6.565 8.573 -22.804 151 HB2 PRO 20 1HB PRO 20 4.160 7.906 -23.872 152 HB3 PRO 20 2HB PRO 20 4.902 9.496 -24.091 153 HG2 PRO 20 1HG PRO 20 4.861 7.152 -25.953 154 HG3 PRO 20 2HG PRO 20 4.618 8.871 -26.313 155 HD2 PRO 20 1HD PRO 20 6.969 7.606 -26.766 156 HD3 PRO 20 2HD PRO 20 6.879 9.320 -26.313 157 H ARG 21 H ARG 21 7.035 5.764 -24.719 158 HA ARG 21 HA ARG 21 5.703 4.055 -22.742 159 HB2 ARG 21 1HB ARG 21 5.549 3.923 -25.420 160 HB3 ARG 21 2HB ARG 21 6.942 2.879 -25.168 161 HG2 ARG 21 1HG ARG 21 5.630 1.477 -23.665 162 HG3 ARG 21 2HG ARG 21 4.234 2.531 -23.898 163 HD2 ARG 21 1HD ARG 21 5.545 1.387 -26.307 164 HD3 ARG 21 2HD ARG 21 4.570 0.312 -25.306 165 HE ARG 21 HE ARG 21 3.626 2.408 -27.024 166 HH11 ARG 21 1HH1 ARG 21 2.922 0.505 -24.195 167 HH12 ARG 21 2HH1 ARG 21 1.207 0.716 -24.320 168 HH21 ARG 21 1HH2 ARG 21 1.370 2.694 -27.199 169 HH22 ARG 21 2HH2 ARG 21 0.325 1.960 -26.030 170 H GLU 22 H GLU 22 8.221 5.418 -22.202 171 HA GLU 22 HA GLU 22 9.792 3.058 -21.496 172 HB2 GLU 22 1HB GLU 22 10.617 4.247 -23.667 173 HB3 GLU 22 2HB GLU 22 11.228 5.467 -22.559 174 HG2 GLU 22 1HG GLU 22 12.883 4.146 -21.797 175 HG3 GLU 22 2HG GLU 22 11.913 2.679 -21.906 176 H VAL 23 H VAL 23 11.598 3.679 -19.947 177 HA VAL 23 HA VAL 23 10.737 5.909 -18.222 178 HB VAL 23 HB VAL 23 11.580 4.480 -16.290 179 HG11 VAL 23 1HG1 VAL 23 9.094 3.817 -17.842 180 HG12 VAL 23 2HG1 VAL 23 9.434 3.115 -16.259 181 HG13 VAL 23 3HG1 VAL 23 9.264 4.863 -16.432 182 HG21 VAL 23 3HG2 VAL 23 11.331 2.337 -18.397 183 HG22 VAL 23 1HG2 VAL 23 12.792 2.808 -17.529 184 HG23 VAL 23 2HG2 VAL 23 11.465 2.031 -16.665 185 H THR 24 H THR 24 12.603 6.144 -16.425 186 HA THR 24 HA THR 24 15.229 6.007 -17.712 187 HB THR 24 HB THR 24 14.103 8.283 -18.107 188 HG1 THR 24 HG1 THR 24 16.569 8.441 -16.713 189 HG21 THR 24 3HG2 THR 24 15.029 8.955 -15.348 190 HG22 THR 24 1HG2 THR 24 13.412 8.291 -15.577 191 HG23 THR 24 2HG2 THR 24 13.870 9.794 -16.379 192 H MET 25 H MET 25 16.997 6.617 -16.157 193 HA MET 25 HA MET 25 16.286 6.203 -13.352 194 HB2 MET 25 1HB MET 25 18.540 4.624 -14.563 195 HB3 MET 25 2HB MET 25 17.733 4.378 -13.020 196 HG2 MET 25 1HG MET 25 16.762 2.697 -14.165 197 HG3 MET 25 2HG MET 25 15.650 3.986 -14.622 198 HE1 MET 25 3HE MET 25 19.426 3.517 -16.519 199 HE2 MET 25 1HE MET 25 18.897 2.341 -15.315 200 HE3 MET 25 2HE MET 25 18.866 1.923 -17.028 201 H LYS 26 H LYS 26 18.364 6.391 -11.967 202 HA LYS 26 HA LYS 26 20.112 8.467 -13.110 203 HB2 LYS 26 1HB LYS 26 18.651 8.435 -10.488 204 HB3 LYS 26 2HB LYS 26 20.147 9.343 -10.659 205 HG2 LYS 26 1HG LYS 26 19.007 10.416 -12.703 206 HG3 LYS 26 2HG LYS 26 17.514 9.780 -12.009 207 HD2 LYS 26 1HD LYS 26 19.463 11.528 -10.512 208 HD3 LYS 26 2HD LYS 26 18.037 12.136 -11.357 209 HE2 LYS 26 1HE LYS 26 16.691 10.515 -9.943 210 HE3 LYS 26 2HE LYS 26 18.151 10.294 -8.980 211 HZ1 LYS 26 3HZ LYS 26 18.088 12.865 -8.860 212 HZ2 LYS 26 1HZ LYS 26 17.075 11.960 -7.852 213 HZ3 LYS 26 2HZ LYS 26 16.453 12.679 -9.251 214 H LYS 27 H LYS 27 22.220 8.637 -12.133 215 HA LYS 27 HA LYS 27 23.545 6.220 -11.829 216 HB2 LYS 27 1HB LYS 27 25.388 7.638 -10.798 217 HB3 LYS 27 2HB LYS 27 24.842 8.110 -12.402 218 HG2 LYS 27 1HG LYS 27 23.362 9.446 -10.292 219 HG3 LYS 27 2HG LYS 27 25.098 9.758 -10.213 220 HD2 LYS 27 1HD LYS 27 24.691 10.059 -12.856 221 HD3 LYS 27 2HD LYS 27 23.111 10.558 -12.248 222 HE2 LYS 27 1HE LYS 27 24.124 12.568 -12.079 223 HE3 LYS 27 2HE LYS 27 24.706 11.904 -10.553 224 HZ1 LYS 27 3HZ LYS 27 26.223 12.802 -12.693 225 HZ2 LYS 27 1HZ LYS 27 26.421 11.122 -12.653 226 HZ3 LYS 27 2HZ LYS 27 26.777 12.048 -11.283 227 H GLY 28 H GLY 28 22.876 4.781 -10.325 228 HA2 GLY 28 1HA GLY 28 23.253 3.929 -8.131 229 HA3 GLY 28 2HA GLY 28 23.211 5.576 -7.518 230 H ASP 29 H ASP 29 20.795 4.579 -9.781 231 HA ASP 29 HA ASP 29 18.763 4.886 -7.716 232 HB2 ASP 29 1HB ASP 29 18.752 5.926 -10.122 233 HB3 ASP 29 2HB ASP 29 18.138 4.345 -10.597 234 H ILE 30 H ILE 30 16.770 3.382 -8.068 235 HA ILE 30 HA ILE 30 17.604 0.632 -8.631 236 HB ILE 30 HB ILE 30 16.158 1.377 -6.089 237 HG12 ILE 30 1HG1 ILE 30 19.045 0.563 -6.494 238 HG13 ILE 30 2HG1 ILE 30 18.483 2.162 -6.021 239 HG21 ILE 30 1HG2 ILE 30 15.906 -0.818 -5.681 240 HG22 ILE 30 2HG2 ILE 30 16.104 -0.980 -7.425 241 HG23 ILE 30 3HG2 ILE 30 17.483 -1.228 -6.354 242 HD11 ILE 30 3HD1 ILE 30 17.349 0.557 -4.122 243 HD12 ILE 30 1HD1 ILE 30 18.900 -0.229 -4.418 244 HD13 ILE 30 2HD1 ILE 30 18.848 1.468 -3.940 245 H LEU 31 H LEU 31 16.099 -0.493 -9.698 246 HA LEU 31 HA LEU 31 13.310 0.433 -9.599 247 HB2 LEU 31 1HB LEU 31 14.958 -0.216 -12.028 248 HB3 LEU 31 2HB LEU 31 13.196 -0.195 -12.055 249 HG LEU 31 HG LEU 31 13.939 1.876 -12.942 250 HD11 LEU 31 1HD1 LEU 31 13.354 2.765 -10.173 251 HD12 LEU 31 2HD1 LEU 31 12.160 1.754 -10.986 252 HD13 LEU 31 3HD1 LEU 31 12.653 3.287 -11.705 253 HD21 LEU 31 3HD2 LEU 31 15.743 3.037 -12.272 254 HD22 LEU 31 1HD2 LEU 31 16.192 1.528 -11.477 255 HD23 LEU 31 2HD2 LEU 31 15.388 2.802 -10.560 256 H THR 32 H THR 32 11.779 -1.137 -9.538 257 HA THR 32 HA THR 32 12.641 -3.807 -8.935 258 HB THR 32 HB THR 32 9.764 -3.121 -9.404 259 HG1 THR 32 HG1 THR 32 10.885 -2.573 -6.894 260 HG21 THR 32 3HG2 THR 32 9.335 -4.881 -8.037 261 HG22 THR 32 1HG2 THR 32 10.727 -4.557 -7.003 262 HG23 THR 32 2HG2 THR 32 10.948 -5.377 -8.549 263 H LEU 33 H LEU 33 12.999 -5.361 -10.364 264 HA LEU 33 HA LEU 33 12.387 -5.070 -13.126 265 HB2 LEU 33 1HB LEU 33 14.344 -6.301 -12.271 266 HB3 LEU 33 2HB LEU 33 13.262 -7.529 -11.616 267 HG LEU 33 HG LEU 33 14.475 -8.019 -13.824 268 HD11 LEU 33 1HD1 LEU 33 11.953 -8.751 -12.804 269 HD12 LEU 33 2HD1 LEU 33 12.987 -9.658 -13.906 270 HD13 LEU 33 3HD1 LEU 33 11.767 -8.558 -14.547 271 HD21 LEU 33 3HD2 LEU 33 13.812 -7.021 -15.768 272 HD22 LEU 33 1HD2 LEU 33 13.619 -5.664 -14.658 273 HD23 LEU 33 2HD2 LEU 33 12.213 -6.611 -15.144 274 H LEU 34 H LEU 34 10.683 -5.747 -14.274 275 HA LEU 34 HA LEU 34 8.628 -7.317 -12.868 276 HB2 LEU 34 1HB LEU 34 8.526 -5.054 -14.762 277 HB3 LEU 34 2HB LEU 34 7.301 -6.303 -14.976 278 HG LEU 34 HG LEU 34 6.545 -4.381 -13.604 279 HD11 LEU 34 1HD1 LEU 34 6.288 -6.256 -11.519 280 HD12 LEU 34 2HD1 LEU 34 6.324 -7.168 -13.027 281 HD13 LEU 34 3HD1 LEU 34 5.134 -5.887 -12.801 282 HD21 LEU 34 3HD2 LEU 34 8.642 -5.383 -11.682 283 HD22 LEU 34 1HD2 LEU 34 7.391 -4.202 -11.295 284 HD23 LEU 34 2HD2 LEU 34 8.621 -3.820 -12.500 285 H ASN 35 H ASN 35 10.350 -6.936 -15.926 286 HA ASN 35 HA ASN 35 9.939 -9.754 -16.491 287 HB2 ASN 35 1HB ASN 35 8.553 -7.604 -17.928 288 HB3 ASN 35 2HB ASN 35 9.433 -8.707 -18.983 289 HD21 ASN 35 2HD2 ASN 35 9.009 -11.020 -18.677 290 HD22 ASN 35 1HD2 ASN 35 7.409 -11.511 -18.245 291 H SER 36 H SER 36 11.672 -10.644 -17.453 292 HA SER 36 HA SER 36 13.623 -8.866 -18.746 293 HB2 SER 36 1HB SER 36 14.430 -9.308 -16.478 294 HB3 SER 36 2HB SER 36 14.268 -11.044 -16.743 295 HG SER 36 HG SER 36 16.423 -9.929 -17.076 296 H THR 37 H THR 37 11.625 -10.592 -19.903 297 HA THR 37 HA THR 37 12.596 -13.074 -20.729 298 HB THR 37 HB THR 37 10.286 -12.522 -21.104 299 HG1 THR 37 HG1 THR 37 10.255 -13.633 -22.913 300 HG21 THR 37 3HG2 THR 37 9.605 -10.850 -22.779 301 HG22 THR 37 1HG2 THR 37 11.294 -10.396 -23.000 302 HG23 THR 37 2HG2 THR 37 10.502 -10.119 -21.448 303 H ASN 38 H ASN 38 13.511 -9.894 -21.676 304 HA ASN 38 HA ASN 38 14.782 -10.789 -24.136 305 HB2 ASN 38 1HB ASN 38 13.583 -8.478 -23.629 306 HB3 ASN 38 2HB ASN 38 15.185 -8.040 -23.042 307 HD21 ASN 38 2HD2 ASN 38 13.345 -9.096 -25.821 308 HD22 ASN 38 1HD2 ASN 38 14.480 -8.570 -27.013 309 H LYS 39 H LYS 39 17.081 -9.704 -24.436 310 HA LYS 39 HA LYS 39 18.689 -10.300 -22.042 311 HB2 LYS 39 1HB LYS 39 20.439 -11.169 -23.663 312 HB3 LYS 39 2HB LYS 39 19.016 -12.180 -23.441 313 HG2 LYS 39 1HG LYS 39 18.085 -11.396 -25.526 314 HG3 LYS 39 2HG LYS 39 19.432 -10.275 -25.736 315 HD2 LYS 39 1HD LYS 39 19.752 -12.269 -27.097 316 HD3 LYS 39 2HD LYS 39 20.984 -12.173 -25.837 317 HE2 LYS 39 1HE LYS 39 18.498 -13.683 -25.238 318 HE3 LYS 39 2HE LYS 39 19.654 -14.413 -26.350 319 HZ1 LYS 39 3HZ LYS 39 20.818 -15.059 -24.600 320 HZ2 LYS 39 1HZ LYS 39 19.772 -14.256 -23.540 321 HZ3 LYS 39 2HZ LYS 39 21.104 -13.443 -24.191 322 H ASP 40 H ASP 40 17.682 -7.809 -23.547 323 HA ASP 40 HA ASP 40 20.262 -6.420 -23.468 324 HB2 ASP 40 1HB ASP 40 18.245 -6.262 -25.711 325 HB3 ASP 40 2HB ASP 40 19.521 -5.071 -25.474 326 H TRP 41 H TRP 41 16.735 -6.152 -23.565 327 HA TRP 41 HA TRP 41 16.960 -3.749 -21.874 328 HB2 TRP 41 1HB TRP 41 14.854 -4.323 -23.971 329 HB3 TRP 41 2HB TRP 41 14.876 -2.923 -22.902 330 HD1 TRP 41 HD1 TRP 41 16.638 -4.372 -25.975 331 HE1 TRP 41 HE1 TRP 41 17.989 -2.497 -27.108 332 HE3 TRP 41 HE3 TRP 41 16.064 -0.714 -22.450 333 HZ2 TRP 41 HZ2 TRP 41 18.716 0.178 -26.578 334 HZ3 TRP 41 HZ3 TRP 41 17.119 1.475 -22.839 335 HH2 TRP 41 HH2 TRP 41 18.418 1.909 -24.861 336 H TRP 42 H TRP 42 15.987 -3.871 -19.958 337 HA TRP 42 HA TRP 42 14.174 -6.135 -19.475 338 HB2 TRP 42 1HB TRP 42 15.893 -4.524 -17.581 339 HB3 TRP 42 2HB TRP 42 14.722 -5.728 -17.052 340 HD1 TRP 42 HD1 TRP 42 15.673 -7.622 -19.721 341 HE1 TRP 42 HE1 TRP 42 17.767 -9.071 -19.345 342 HE3 TRP 42 HE3 TRP 42 17.639 -5.174 -15.686 343 HZ2 TRP 42 HZ2 TRP 42 19.961 -9.164 -17.571 344 HZ3 TRP 42 HZ3 TRP 42 19.738 -6.008 -14.709 345 HH2 TRP 42 HH2 TRP 42 20.873 -7.962 -15.633 346 H LYS 43 H LYS 43 12.227 -5.837 -18.373 347 HA LYS 43 HA LYS 43 11.161 -3.115 -18.553 348 HB2 LYS 43 1HB LYS 43 9.920 -4.864 -19.733 349 HB3 LYS 43 2HB LYS 43 9.745 -5.768 -18.234 350 HG2 LYS 43 1HG LYS 43 7.723 -4.751 -18.273 351 HG3 LYS 43 2HG LYS 43 8.638 -3.496 -17.434 352 HD2 LYS 43 1HD LYS 43 7.777 -2.152 -19.024 353 HD3 LYS 43 2HD LYS 43 9.085 -2.806 -20.014 354 HE2 LYS 43 1HE LYS 43 7.024 -2.933 -21.249 355 HE3 LYS 43 2HE LYS 43 7.536 -4.563 -20.817 356 HZ1 LYS 43 3HZ LYS 43 5.211 -3.057 -19.943 357 HZ2 LYS 43 1HZ LYS 43 5.978 -3.978 -18.748 358 HZ3 LYS 43 2HZ LYS 43 5.406 -4.724 -20.154 359 H VAL 44 H VAL 44 11.202 -1.945 -16.758 360 HA VAL 44 HA VAL 44 10.814 -3.314 -14.175 361 HB VAL 44 HB VAL 44 12.005 -1.366 -13.157 362 HG11 VAL 44 1HG1 VAL 44 13.501 -3.046 -13.196 363 HG12 VAL 44 2HG1 VAL 44 13.198 -3.416 -14.894 364 HG13 VAL 44 3HG1 VAL 44 14.268 -2.083 -14.459 365 HG21 VAL 44 3HG2 VAL 44 13.085 0.255 -14.419 366 HG22 VAL 44 1HG2 VAL 44 13.028 -0.712 -15.893 367 HG23 VAL 44 2HG2 VAL 44 11.560 0.050 -15.281 368 H GLU 45 H GLU 45 9.769 -1.992 -12.485 369 HA GLU 45 HA GLU 45 7.656 -0.312 -13.657 370 HB2 GLU 45 1HB GLU 45 6.768 -2.300 -12.609 371 HB3 GLU 45 2HB GLU 45 7.672 -1.976 -11.136 372 HG2 GLU 45 1HG GLU 45 6.345 0.007 -10.723 373 HG3 GLU 45 2HG GLU 45 5.472 -0.241 -12.234 374 H VAL 46 H VAL 46 7.989 1.785 -13.373 375 HA VAL 46 HA VAL 46 9.444 2.699 -10.992 376 HB VAL 46 HB VAL 46 9.822 4.781 -12.154 377 HG11 VAL 46 1HG1 VAL 46 10.418 2.950 -14.380 378 HG12 VAL 46 2HG1 VAL 46 11.493 3.986 -13.440 379 HG13 VAL 46 3HG1 VAL 46 10.983 2.426 -12.794 380 HG21 VAL 46 3HG2 VAL 46 7.683 4.961 -13.309 381 HG22 VAL 46 1HG2 VAL 46 9.022 5.150 -14.441 382 HG23 VAL 46 2HG2 VAL 46 8.132 3.629 -14.374 383 H LYS 47 H LYS 47 8.706 4.956 -10.237 384 HA LYS 47 HA LYS 47 5.765 4.959 -10.038 385 HB2 LYS 47 1HB LYS 47 7.770 5.871 -7.965 386 HB3 LYS 47 2HB LYS 47 6.020 5.918 -7.793 387 HG2 LYS 47 1HG LYS 47 5.959 3.465 -7.965 388 HG3 LYS 47 2HG LYS 47 7.721 3.447 -8.066 389 HD2 LYS 47 1HD LYS 47 7.003 2.969 -5.796 390 HD3 LYS 47 2HD LYS 47 7.840 4.522 -5.856 391 HE2 LYS 47 1HE LYS 47 5.851 5.731 -5.622 392 HE3 LYS 47 2HE LYS 47 4.853 4.348 -6.068 393 HZ1 LYS 47 3HZ LYS 47 5.842 5.120 -3.497 394 HZ2 LYS 47 1HZ LYS 47 6.197 3.505 -3.855 395 HZ3 LYS 47 2HZ LYS 47 4.595 4.048 -3.894 396 H ALA 48 H ALA 48 4.695 6.957 -10.020 397 HA ALA 48 HA ALA 48 6.293 9.341 -10.603 398 HB1 ALA 48 1HB ALA 48 5.858 8.904 -12.796 399 HB2 ALA 48 2HB ALA 48 4.365 8.033 -12.443 400 HB3 ALA 48 3HB ALA 48 4.392 9.795 -12.388 401 H THR 49 H THR 49 4.989 11.346 -10.503 402 HA THR 49 HA THR 49 2.565 11.084 -8.866 403 HB THR 49 HB THR 49 4.657 13.151 -8.218 404 HG1 THR 49 HG1 THR 49 5.767 11.649 -7.241 405 HG21 THR 49 3HG2 THR 49 2.687 13.812 -7.213 406 HG22 THR 49 1HG2 THR 49 3.398 12.818 -5.943 407 HG23 THR 49 2HG2 THR 49 2.129 12.157 -6.973 408 H ALA 50 H ALA 50 1.017 11.997 -10.047 409 HA ALA 50 HA ALA 50 1.487 14.683 -11.126 410 HB1 ALA 50 1HB ALA 50 1.401 12.447 -12.754 411 HB2 ALA 50 2HB ALA 50 -0.221 13.128 -12.877 412 HB3 ALA 50 3HB ALA 50 1.184 14.123 -13.259 413 H ASN 51 H ASN 51 -0.388 15.971 -11.333 414 HA ASN 51 HA ASN 51 -2.366 16.819 -10.593 415 HB2 ASN 51 1HB ASN 51 -3.441 14.005 -10.759 416 HB3 ASN 51 2HB ASN 51 -4.312 15.517 -10.999 417 HD21 ASN 51 2HD2 ASN 51 -2.438 13.065 -12.441 418 HD22 ASN 51 1HD2 ASN 51 -2.411 13.707 -14.044 419 H GLY 52 H GLY 52 -0.469 15.865 -8.608 420 HA2 GLY 52 1HA GLY 52 -0.397 15.750 -6.312 421 HA3 GLY 52 2HA GLY 52 -2.125 16.066 -6.307 422 H LYS 53 H LYS 53 -1.013 13.382 -8.150 423 HA LYS 53 HA LYS 53 -1.704 11.531 -5.974 424 HB2 LYS 53 1HB LYS 53 -3.519 12.011 -7.840 425 HB3 LYS 53 2HB LYS 53 -2.545 10.874 -8.763 426 HG2 LYS 53 1HG LYS 53 -4.203 9.566 -7.776 427 HG3 LYS 53 2HG LYS 53 -2.780 9.310 -6.763 428 HD2 LYS 53 1HD LYS 53 -4.495 9.647 -5.221 429 HD3 LYS 53 2HD LYS 53 -3.718 11.229 -5.326 430 HE2 LYS 53 1HE LYS 53 -5.441 12.039 -6.789 431 HE3 LYS 53 2HE LYS 53 -6.157 10.432 -6.909 432 HZ1 LYS 53 3HZ LYS 53 -6.774 12.409 -5.078 433 HZ2 LYS 53 1HZ LYS 53 -5.959 11.216 -4.199 434 HZ3 LYS 53 2HZ LYS 53 -7.338 10.814 -5.091 435 H THR 54 H THR 54 -0.610 9.585 -5.963 436 HA THR 54 HA THR 54 1.721 9.470 -7.744 437 HB THR 54 HB THR 54 2.412 7.644 -5.996 438 HG1 THR 54 HG1 THR 54 1.503 8.368 -3.883 439 HG21 THR 54 3HG2 THR 54 3.037 10.282 -6.347 440 HG22 THR 54 1HG2 THR 54 3.831 9.199 -5.204 441 HG23 THR 54 2HG2 THR 54 2.523 10.251 -4.660 442 H TYR 55 H TYR 55 1.868 7.962 -9.270 443 HA TYR 55 HA TYR 55 0.234 5.529 -9.020 444 HB2 TYR 55 1HB TYR 55 -0.382 5.634 -11.348 445 HB3 TYR 55 2HB TYR 55 -0.819 7.162 -10.592 446 HD1 TYR 55 HD2 TYR 55 0.409 9.208 -11.121 447 HD2 TYR 55 HD1 TYR 55 1.361 5.521 -13.018 448 HE1 TYR 55 HE2 TYR 55 1.689 10.426 -12.832 449 HE2 TYR 55 HE1 TYR 55 2.645 6.728 -14.734 450 HH TYR 55 HH TYR 55 2.649 9.079 -15.716 451 H GLU 56 H GLU 56 0.958 3.846 -10.683 452 HA GLU 56 HA GLU 56 3.902 3.862 -10.813 453 HB2 GLU 56 1HB GLU 56 1.943 1.684 -10.191 454 HB3 GLU 56 2HB GLU 56 3.500 1.276 -10.897 455 HG2 GLU 56 1HG GLU 56 4.678 1.977 -9.039 456 HG3 GLU 56 2HG GLU 56 3.369 3.013 -8.473 457 H ARG 57 H ARG 57 4.914 3.050 -12.658 458 HA ARG 57 HA ARG 57 3.255 2.255 -14.918 459 HB2 ARG 57 1HB ARG 57 4.243 3.900 -16.420 460 HB3 ARG 57 2HB ARG 57 3.412 4.703 -15.094 461 HG2 ARG 57 1HG ARG 57 5.534 5.112 -13.985 462 HG3 ARG 57 2HG ARG 57 6.385 4.261 -15.276 463 HD2 ARG 57 1HD ARG 57 4.663 6.689 -15.734 464 HD3 ARG 57 2HD ARG 57 6.399 6.772 -15.438 465 HE ARG 57 HE ARG 57 5.685 5.015 -17.594 466 HH11 ARG 57 1HH1 ARG 57 6.378 8.308 -16.700 467 HH12 ARG 57 2HH1 ARG 57 6.864 8.776 -18.295 468 HH21 ARG 57 1HH2 ARG 57 6.324 5.620 -19.699 469 HH22 ARG 57 2HH2 ARG 57 6.832 7.247 -20.001 470 H GLN 58 H GLN 58 4.254 0.852 -16.280 471 HA GLN 58 HA GLN 58 6.923 -0.035 -15.497 472 HB2 GLN 58 1HB GLN 58 4.791 -1.277 -17.235 473 HB3 GLN 58 2HB GLN 58 6.394 -1.971 -17.033 474 HG2 GLN 58 1HG GLN 58 6.028 -2.342 -14.713 475 HG3 GLN 58 2HG GLN 58 4.529 -1.414 -14.743 476 HE21 GLN 58 2HE2 GLN 58 6.075 -4.310 -16.035 477 HE22 GLN 58 1HE2 GLN 58 4.625 -5.237 -16.182 478 H GLY 59 H GLY 59 8.692 0.075 -16.785 479 HA2 GLY 59 1HA GLY 59 8.344 0.989 -19.556 480 HA3 GLY 59 2HA GLY 59 9.380 1.914 -18.480 481 H PHE 60 H PHE 60 10.650 1.149 -20.601 482 HA PHE 60 HA PHE 60 11.987 -1.396 -19.991 483 HB2 PHE 60 1HB PHE 60 11.819 0.223 -22.534 484 HB3 PHE 60 2HB PHE 60 12.902 -1.152 -22.340 485 HD1 PHE 60 HD2 PHE 60 11.848 -3.399 -21.714 486 HD2 PHE 60 HD1 PHE 60 9.625 -0.094 -23.216 487 HE1 PHE 60 HE2 PHE 60 10.032 -4.923 -22.372 488 HE2 PHE 60 HE1 PHE 60 7.805 -1.613 -23.875 489 HZ PHE 60 HZ PHE 60 8.008 -4.031 -23.454 490 H VAL 61 H VAL 61 14.245 -1.523 -19.906 491 HA VAL 61 HA VAL 61 15.777 0.957 -19.990 492 HB VAL 61 HB VAL 61 16.781 0.615 -17.799 493 HG11 VAL 61 1HG1 VAL 61 13.767 0.685 -17.702 494 HG12 VAL 61 2HG1 VAL 61 14.843 1.192 -16.398 495 HG13 VAL 61 3HG1 VAL 61 14.840 2.066 -17.931 496 HG21 VAL 61 3HG2 VAL 61 14.801 -1.637 -17.462 497 HG22 VAL 61 1HG2 VAL 61 16.539 -1.826 -17.698 498 HG23 VAL 61 2HG2 VAL 61 15.926 -1.045 -16.240 499 HA PRO 62 HA PRO 62 18.905 -1.635 -21.660 500 HB2 PRO 62 1HB PRO 62 21.134 -0.264 -20.935 501 HB3 PRO 62 2HB PRO 62 20.033 0.293 -22.201 502 HG2 PRO 62 1HG PRO 62 20.213 1.146 -19.337 503 HG3 PRO 62 2HG PRO 62 19.996 2.140 -20.789 504 HD2 PRO 62 1HD PRO 62 17.938 1.467 -19.162 505 HD3 PRO 62 2HD PRO 62 17.739 1.690 -20.912 506 H ALA 63 H ALA 63 19.222 -3.584 -20.765 507 HA ALA 63 HA ALA 63 19.728 -4.072 -18.042 508 HB1 ALA 63 1HB ALA 63 20.166 -5.802 -20.469 509 HB2 ALA 63 2HB ALA 63 20.333 -6.371 -18.808 510 HB3 ALA 63 3HB ALA 63 18.771 -5.797 -19.391 511 H ALA 64 H ALA 64 21.777 -2.955 -20.498 512 HA ALA 64 HA ALA 64 24.228 -4.074 -19.506 513 HB1 ALA 64 1HB ALA 64 23.724 -1.810 -21.433 514 HB2 ALA 64 2HB ALA 64 25.305 -2.514 -21.086 515 HB3 ALA 64 3HB ALA 64 24.049 -3.494 -21.843 516 H TYR 65 H TYR 65 22.282 -1.327 -18.765 517 HA TYR 65 HA TYR 65 24.466 -0.084 -17.249 518 HB2 TYR 65 1HB TYR 65 21.733 0.997 -17.967 519 HB3 TYR 65 2HB TYR 65 22.977 1.878 -17.087 520 HD1 TYR 65 HD2 TYR 65 25.214 0.553 -18.933 521 HD2 TYR 65 HD1 TYR 65 21.663 2.783 -19.656 522 HE1 TYR 65 HE2 TYR 65 26.156 1.352 -21.059 523 HE2 TYR 65 HE1 TYR 65 22.595 3.588 -21.786 524 HH TYR 65 HH TYR 65 25.906 3.076 -22.652 525 H VAL 66 H VAL 66 21.477 -1.791 -16.908 526 HA VAL 66 HA VAL 66 21.521 -1.326 -13.999 527 HB VAL 66 HB VAL 66 19.193 -1.881 -13.915 528 HG11 VAL 66 1HG1 VAL 66 19.554 0.405 -14.437 529 HG12 VAL 66 2HG1 VAL 66 19.864 0.037 -16.135 530 HG13 VAL 66 3HG1 VAL 66 18.239 -0.149 -15.474 531 HG21 VAL 66 3HG2 VAL 66 17.914 -2.457 -15.945 532 HG22 VAL 66 1HG2 VAL 66 19.423 -2.510 -16.856 533 HG23 VAL 66 2HG2 VAL 66 19.139 -3.665 -15.554 534 H LYS 67 H LYS 67 21.625 -3.029 -12.610 535 HA LYS 67 HA LYS 67 21.673 -5.735 -13.760 536 HB2 LYS 67 1HB LYS 67 23.668 -6.312 -12.702 537 HB3 LYS 67 2HB LYS 67 23.985 -4.679 -13.275 538 HG2 LYS 67 1HG LYS 67 23.343 -3.865 -10.985 539 HG3 LYS 67 2HG LYS 67 23.337 -5.554 -10.473 540 HD2 LYS 67 1HD LYS 67 25.683 -5.759 -11.176 541 HD3 LYS 67 2HD LYS 67 25.681 -4.059 -11.651 542 HE2 LYS 67 1HE LYS 67 26.689 -4.265 -9.476 543 HE3 LYS 67 2HE LYS 67 25.132 -3.455 -9.312 544 HZ1 LYS 67 3HZ LYS 67 24.851 -6.270 -9.053 545 HZ2 LYS 67 1HZ LYS 67 24.416 -5.047 -7.968 546 HZ3 LYS 67 2HZ LYS 67 25.984 -5.681 -7.943 547 H LYS 68 H LYS 68 20.946 -7.388 -12.424 548 HA LYS 68 HA LYS 68 18.916 -6.788 -10.618 549 HB2 LYS 68 1HB LYS 68 18.765 -9.104 -10.196 550 HB3 LYS 68 2HB LYS 68 19.349 -8.978 -11.850 551 HG2 LYS 68 1HG LYS 68 21.699 -9.128 -10.631 552 HG3 LYS 68 2HG LYS 68 20.724 -9.962 -9.419 553 HD2 LYS 68 1HD LYS 68 21.418 -11.693 -10.803 554 HD3 LYS 68 2HD LYS 68 19.811 -11.314 -11.427 555 HE2 LYS 68 1HE LYS 68 21.133 -9.693 -12.998 556 HE3 LYS 68 2HE LYS 68 22.494 -10.742 -12.607 557 HZ1 LYS 68 3HZ LYS 68 21.523 -12.535 -13.642 558 HZ2 LYS 68 1HZ LYS 68 21.022 -11.269 -14.645 559 HZ3 LYS 68 2HZ LYS 68 19.953 -11.921 -13.508 560 H LEU 69 H LEU 69 18.791 -7.302 -8.311 561 HA LEU 69 HA LEU 69 21.344 -6.833 -6.918 562 HB2 LEU 69 1HB LEU 69 18.621 -5.737 -6.233 563 HB3 LEU 69 2HB LEU 69 20.057 -5.571 -5.224 564 HG LEU 69 HG LEU 69 19.916 -4.483 -8.026 565 HD11 LEU 69 1HD1 LEU 69 19.681 -2.288 -6.514 566 HD12 LEU 69 2HD1 LEU 69 18.773 -3.424 -5.517 567 HD13 LEU 69 3HD1 LEU 69 18.297 -3.145 -7.192 568 HD21 LEU 69 3HD2 LEU 69 22.026 -3.907 -7.660 569 HD22 LEU 69 1HD2 LEU 69 21.973 -4.743 -6.108 570 HD23 LEU 69 2HD2 LEU 69 21.559 -3.031 -6.202 571 H ASP 70 H ASP 70 20.956 -9.346 -7.160 572 HA ASP 70 HA ASP 70 19.280 -10.368 -4.998 573 HB2 ASP 70 1HB ASP 70 19.524 -12.508 -5.964 574 HB3 ASP 70 2HB ASP 70 19.373 -11.410 -7.333 Start of MODEL 18 1 H1 MET 1 H MET 1 8.127 0.884 2.266 2 HA MET 1 HA MET 1 5.338 0.348 2.637 3 HB2 MET 1 1HB MET 1 6.375 1.161 -0.060 4 HB3 MET 1 2HB MET 1 5.027 0.040 0.076 5 HG2 MET 1 1HG MET 1 4.000 2.099 -0.166 6 HG3 MET 1 2HG MET 1 3.954 1.820 1.573 7 HE1 MET 1 3HE MET 1 4.507 4.170 -1.101 8 HE2 MET 1 1HE MET 1 5.806 5.270 -0.636 9 HE3 MET 1 2HE MET 1 6.190 3.666 -1.261 10 H ASP 2 H ASP 2 4.745 -1.723 1.326 11 HA ASP 2 HA ASP 2 7.085 -3.510 1.261 12 HB2 ASP 2 1HB ASP 2 4.349 -4.335 2.234 13 HB3 ASP 2 2HB ASP 2 5.851 -5.247 2.343 14 H GLU 3 H GLU 3 6.037 -2.212 -0.988 15 HA GLU 3 HA GLU 3 4.747 -4.442 -2.420 16 HB2 GLU 3 1HB GLU 3 4.415 -1.469 -2.686 17 HB3 GLU 3 2HB GLU 3 4.055 -2.532 -4.039 18 HG2 GLU 3 1HG GLU 3 2.003 -2.225 -3.000 19 HG3 GLU 3 2HG GLU 3 2.546 -3.795 -2.410 20 H THR 4 H THR 4 7.484 -4.442 -2.111 21 HA THR 4 HA THR 4 8.385 -4.671 -4.762 22 HB THR 4 HB THR 4 8.405 -2.211 -4.714 23 HG1 THR 4 HG1 THR 4 10.445 -2.052 -5.567 24 HG21 THR 4 3HG2 THR 4 9.203 -2.478 -2.101 25 HG22 THR 4 1HG2 THR 4 9.248 -0.983 -3.034 26 HG23 THR 4 2HG2 THR 4 10.692 -1.988 -2.908 27 H GLY 5 H GLY 5 9.983 -6.123 -4.753 28 HA2 GLY 5 1HA GLY 5 12.289 -6.201 -3.324 29 HA3 GLY 5 2HA GLY 5 11.128 -6.947 -2.236 30 H LYS 6 H LYS 6 9.656 -7.980 -4.680 31 HA LYS 6 HA LYS 6 10.648 -10.571 -4.695 32 HB2 LYS 6 1HB LYS 6 8.991 -11.047 -6.201 33 HB3 LYS 6 2HB LYS 6 8.404 -9.496 -5.614 34 HG2 LYS 6 1HG LYS 6 10.084 -9.821 -8.089 35 HG3 LYS 6 2HG LYS 6 8.319 -9.782 -8.088 36 HD2 LYS 6 1HD LYS 6 9.775 -7.578 -6.720 37 HD3 LYS 6 2HD LYS 6 9.762 -7.597 -8.485 38 HE2 LYS 6 1HE LYS 6 7.326 -7.682 -6.706 39 HE3 LYS 6 2HE LYS 6 7.922 -6.259 -7.560 40 HZ1 LYS 6 3HZ LYS 6 6.799 -8.739 -8.730 41 HZ2 LYS 6 1HZ LYS 6 7.642 -7.596 -9.650 42 HZ3 LYS 6 2HZ LYS 6 6.205 -7.161 -8.870 43 H GLU 7 H GLU 7 11.679 -7.797 -6.488 44 HA GLU 7 HA GLU 7 14.097 -8.926 -7.292 45 HB2 GLU 7 1HB GLU 7 12.077 -9.925 -8.859 46 HB3 GLU 7 2HB GLU 7 12.640 -8.560 -9.812 47 HG2 GLU 7 1HG GLU 7 14.212 -10.944 -8.891 48 HG3 GLU 7 2HG GLU 7 13.846 -10.450 -10.543 49 H LEU 8 H LEU 8 15.156 -7.072 -6.950 50 HA LEU 8 HA LEU 8 14.250 -4.680 -8.414 51 HB2 LEU 8 1HB LEU 8 15.396 -5.013 -5.678 52 HB3 LEU 8 2HB LEU 8 15.677 -3.513 -6.559 53 HG LEU 8 HG LEU 8 13.793 -3.366 -4.977 54 HD11 LEU 8 1HD1 LEU 8 13.589 -2.875 -7.870 55 HD12 LEU 8 2HD1 LEU 8 13.393 -1.770 -6.511 56 HD13 LEU 8 3HD1 LEU 8 12.066 -2.832 -6.981 57 HD21 LEU 8 3HD2 LEU 8 12.325 -5.257 -6.797 58 HD22 LEU 8 1HD2 LEU 8 11.805 -4.607 -5.242 59 HD23 LEU 8 2HD2 LEU 8 13.117 -5.784 -5.311 60 H VAL 9 H VAL 9 15.854 -3.318 -9.308 61 HA VAL 9 HA VAL 9 18.525 -4.538 -9.551 62 HB VAL 9 HB VAL 9 18.647 -3.941 -11.875 63 HG11 VAL 9 1HG1 VAL 9 16.057 -5.118 -12.220 64 HG12 VAL 9 2HG1 VAL 9 17.651 -5.852 -12.412 65 HG13 VAL 9 3HG1 VAL 9 16.865 -5.848 -10.833 66 HG21 VAL 9 3HG2 VAL 9 17.524 -2.098 -12.475 67 HG22 VAL 9 1HG2 VAL 9 16.159 -3.185 -12.730 68 HG23 VAL 9 2HG2 VAL 9 16.317 -2.309 -11.208 69 H LEU 10 H LEU 10 20.262 -3.079 -9.944 70 HA LEU 10 HA LEU 10 19.715 -0.377 -8.935 71 HB2 LEU 10 1HB LEU 10 21.313 -1.762 -7.676 72 HB3 LEU 10 2HB LEU 10 22.325 -1.877 -9.115 73 HG LEU 10 HG LEU 10 22.654 0.583 -9.016 74 HD11 LEU 10 1HD1 LEU 10 21.500 1.892 -7.645 75 HD12 LEU 10 2HD1 LEU 10 21.899 0.889 -6.250 76 HD13 LEU 10 3HD1 LEU 10 20.503 0.491 -7.252 77 HD21 LEU 10 3HD2 LEU 10 23.522 -1.272 -6.854 78 HD22 LEU 10 1HD2 LEU 10 23.944 0.436 -6.731 79 HD23 LEU 10 2HD2 LEU 10 24.466 -0.503 -8.130 80 H ALA 11 H ALA 11 20.413 1.445 -10.007 81 HA ALA 11 HA ALA 11 21.010 1.065 -12.843 82 HB1 ALA 11 1HB ALA 11 19.293 2.564 -12.758 83 HB2 ALA 11 2HB ALA 11 19.824 3.257 -11.225 84 HB3 ALA 11 3HB ALA 11 20.657 3.681 -12.720 85 H LEU 12 H LEU 12 23.131 0.839 -13.222 86 HA LEU 12 HA LEU 12 25.169 2.017 -11.635 87 HB2 LEU 12 1HB LEU 12 25.489 1.004 -14.446 88 HB3 LEU 12 2HB LEU 12 26.709 1.088 -13.177 89 HG LEU 12 HG LEU 12 24.305 -0.721 -13.032 90 HD11 LEU 12 1HD1 LEU 12 26.717 -0.965 -14.626 91 HD12 LEU 12 2HD1 LEU 12 25.244 -1.934 -14.645 92 HD13 LEU 12 3HD1 LEU 12 26.523 -2.299 -13.488 93 HD21 LEU 12 3HD2 LEU 12 26.126 -1.903 -11.527 94 HD22 LEU 12 1HD2 LEU 12 25.093 -0.621 -10.893 95 HD23 LEU 12 2HD2 LEU 12 26.744 -0.255 -11.396 96 H TYR 13 H TYR 13 24.096 2.682 -14.970 97 HA TYR 13 HA TYR 13 25.269 5.372 -14.707 98 HB2 TYR 13 1HB TYR 13 24.737 3.848 -17.264 99 HB3 TYR 13 2HB TYR 13 25.563 5.395 -17.114 100 HD1 TYR 13 HD1 TYR 13 25.848 1.773 -16.646 101 HD2 TYR 13 HD2 TYR 13 27.852 5.511 -16.315 102 HE1 TYR 13 HE1 TYR 13 27.997 0.595 -16.426 103 HE2 TYR 13 HE2 TYR 13 30.006 4.345 -16.095 104 HH TYR 13 HH TYR 13 30.179 0.842 -15.830 105 H ASP 14 H ASP 14 23.996 7.109 -14.975 106 HA ASP 14 HA ASP 14 21.248 6.986 -14.750 107 HB2 ASP 14 1HB ASP 14 21.208 9.337 -15.235 108 HB3 ASP 14 2HB ASP 14 22.688 9.000 -14.341 109 H TYR 15 H TYR 15 19.635 7.890 -16.343 110 HA TYR 15 HA TYR 15 20.233 7.239 -19.126 111 HB2 TYR 15 1HB TYR 15 19.229 5.232 -17.785 112 HB3 TYR 15 2HB TYR 15 17.719 6.125 -17.928 113 HD1 TYR 15 HD2 TYR 15 20.561 5.359 -20.242 114 HD2 TYR 15 HD1 TYR 15 16.359 5.284 -19.580 115 HE1 TYR 15 HE2 TYR 15 20.230 4.426 -22.493 116 HE2 TYR 15 HE1 TYR 15 16.016 4.350 -21.829 117 HH TYR 15 HH TYR 15 17.483 4.461 -24.112 118 H GLN 16 H GLN 16 18.273 7.777 -20.538 119 HA GLN 16 HA GLN 16 16.585 9.884 -19.446 120 HB2 GLN 16 1HB GLN 16 18.887 10.357 -21.183 121 HB3 GLN 16 2HB GLN 16 17.393 11.026 -21.826 122 HG2 GLN 16 1HG GLN 16 17.859 11.564 -18.982 123 HG3 GLN 16 2HG GLN 16 19.029 12.291 -20.083 124 HE21 GLN 16 2HE2 GLN 16 16.537 13.139 -18.399 125 HE22 GLN 16 1HE2 GLN 16 15.717 14.216 -19.472 126 H GLU 17 H GLU 17 14.757 8.715 -19.873 127 HA GLU 17 HA GLU 17 14.193 7.165 -22.087 128 HB2 GLU 17 1HB GLU 17 11.814 7.522 -21.552 129 HB3 GLU 17 2HB GLU 17 12.770 7.174 -20.118 130 HG2 GLU 17 1HG GLU 17 12.746 9.469 -19.459 131 HG3 GLU 17 2HG GLU 17 11.996 9.948 -20.981 132 H LYS 18 H LYS 18 13.040 7.524 -24.016 133 HA LYS 18 HA LYS 18 12.977 10.329 -24.916 134 HB2 LYS 18 1HB LYS 18 13.419 9.226 -27.242 135 HB3 LYS 18 2HB LYS 18 14.762 9.522 -26.146 136 HG2 LYS 18 1HG LYS 18 14.970 7.333 -27.127 137 HG3 LYS 18 2HG LYS 18 14.642 7.182 -25.399 138 HD2 LYS 18 1HD LYS 18 12.404 6.541 -25.779 139 HD3 LYS 18 2HD LYS 18 12.459 7.062 -27.464 140 HE2 LYS 18 1HE LYS 18 14.161 4.833 -26.371 141 HE3 LYS 18 2HE LYS 18 12.565 4.570 -27.071 142 HZ1 LYS 18 3HZ LYS 18 14.613 6.041 -28.591 143 HZ2 LYS 18 1HZ LYS 18 13.287 5.159 -29.162 144 HZ3 LYS 18 2HZ LYS 18 14.643 4.350 -28.555 145 H SER 19 H SER 19 11.160 7.689 -24.208 146 HA SER 19 HA SER 19 8.974 8.628 -25.919 147 HB2 SER 19 1HB SER 19 10.141 5.890 -25.857 148 HB3 SER 19 2HB SER 19 8.386 6.019 -25.966 149 HG SER 19 HG SER 19 9.318 5.993 -28.033 150 HA PRO 20 HA PRO 20 6.451 8.318 -22.345 151 HB2 PRO 20 1HB PRO 20 4.085 7.467 -23.369 152 HB3 PRO 20 2HB PRO 20 4.709 9.102 -23.622 153 HG2 PRO 20 1HG PRO 20 4.809 6.732 -25.448 154 HG3 PRO 20 2HG PRO 20 4.441 8.423 -25.830 155 HD2 PRO 20 1HD PRO 20 6.869 7.320 -26.298 156 HD3 PRO 20 2HD PRO 20 6.664 9.030 -25.869 157 H ARG 21 H ARG 21 6.790 5.488 -24.358 158 HA ARG 21 HA ARG 21 5.628 3.714 -22.384 159 HB2 ARG 21 1HB ARG 21 5.963 1.969 -23.959 160 HB3 ARG 21 2HB ARG 21 5.441 3.372 -24.882 161 HG2 ARG 21 1HG ARG 21 7.167 2.870 -26.208 162 HG3 ARG 21 2HG ARG 21 8.139 3.658 -24.965 163 HD2 ARG 21 1HD ARG 21 9.262 1.681 -25.108 164 HD3 ARG 21 2HD ARG 21 8.063 1.239 -23.893 165 HE ARG 21 HE ARG 21 7.102 -0.193 -25.405 166 HH11 ARG 21 1HH1 ARG 21 9.305 1.932 -27.063 167 HH12 ARG 21 2HH1 ARG 21 9.215 1.068 -28.562 168 HH21 ARG 21 1HH2 ARG 21 6.975 -1.339 -27.373 169 HH22 ARG 21 2HH2 ARG 21 7.889 -0.791 -28.738 170 H GLU 22 H GLU 22 8.755 4.887 -23.306 171 HA GLU 22 HA GLU 22 10.181 2.812 -21.869 172 HB2 GLU 22 1HB GLU 22 10.911 4.198 -24.007 173 HB3 GLU 22 2HB GLU 22 11.512 5.318 -22.792 174 HG2 GLU 22 1HG GLU 22 13.316 3.919 -23.376 175 HG3 GLU 22 2HG GLU 22 12.768 3.395 -21.784 176 H VAL 23 H VAL 23 11.716 3.348 -20.149 177 HA VAL 23 HA VAL 23 10.727 5.549 -18.453 178 HB VAL 23 HB VAL 23 11.607 4.120 -16.528 179 HG11 VAL 23 1HG1 VAL 23 9.519 2.556 -16.750 180 HG12 VAL 23 2HG1 VAL 23 9.313 4.299 -16.559 181 HG13 VAL 23 3HG1 VAL 23 9.170 3.562 -18.155 182 HG21 VAL 23 3HG2 VAL 23 12.410 2.063 -16.875 183 HG22 VAL 23 1HG2 VAL 23 11.115 1.659 -18.002 184 HG23 VAL 23 2HG2 VAL 23 12.541 2.526 -18.572 185 H THR 24 H THR 24 12.498 5.887 -16.597 186 HA THR 24 HA THR 24 15.191 5.876 -17.726 187 HB THR 24 HB THR 24 13.889 8.080 -18.253 188 HG1 THR 24 HG1 THR 24 16.117 7.856 -18.607 189 HG21 THR 24 3HG2 THR 24 14.921 8.978 -15.611 190 HG22 THR 24 1HG2 THR 24 13.357 8.165 -15.658 191 HG23 THR 24 2HG2 THR 24 13.615 9.636 -16.596 192 H MET 25 H MET 25 16.797 6.755 -16.079 193 HA MET 25 HA MET 25 16.005 6.676 -13.316 194 HB2 MET 25 1HB MET 25 17.693 4.770 -12.867 195 HB3 MET 25 2HB MET 25 16.088 4.350 -13.451 196 HG2 MET 25 1HG MET 25 17.541 3.018 -14.692 197 HG3 MET 25 2HG MET 25 17.108 4.338 -15.776 198 HE1 MET 25 3HE MET 25 20.589 2.516 -15.746 199 HE2 MET 25 1HE MET 25 19.007 2.596 -16.523 200 HE3 MET 25 2HE MET 25 20.329 3.607 -17.108 201 H LYS 26 H LYS 26 18.013 6.793 -11.874 202 HA LYS 26 HA LYS 26 20.118 8.330 -13.251 203 HB2 LYS 26 1HB LYS 26 18.654 8.886 -10.694 204 HB3 LYS 26 2HB LYS 26 20.294 9.482 -10.912 205 HG2 LYS 26 1HG LYS 26 19.653 10.803 -12.781 206 HG3 LYS 26 2HG LYS 26 18.059 10.048 -12.842 207 HD2 LYS 26 1HD LYS 26 19.023 11.595 -10.449 208 HD3 LYS 26 2HD LYS 26 18.190 12.365 -11.802 209 HE2 LYS 26 1HE LYS 26 16.306 10.774 -11.458 210 HE3 LYS 26 2HE LYS 26 17.129 10.177 -10.018 211 HZ1 LYS 26 3HZ LYS 26 15.593 11.763 -9.270 212 HZ2 LYS 26 1HZ LYS 26 15.995 12.871 -10.484 213 HZ3 LYS 26 2HZ LYS 26 17.086 12.558 -9.229 214 H LYS 27 H LYS 27 22.191 8.411 -12.034 215 HA LYS 27 HA LYS 27 23.207 5.876 -11.550 216 HB2 LYS 27 1HB LYS 27 24.308 8.421 -10.355 217 HB3 LYS 27 2HB LYS 27 25.196 6.955 -10.749 218 HG2 LYS 27 1HG LYS 27 25.692 7.856 -12.706 219 HG3 LYS 27 2HG LYS 27 23.983 7.756 -13.136 220 HD2 LYS 27 1HD LYS 27 23.626 9.967 -12.774 221 HD3 LYS 27 2HD LYS 27 24.783 10.045 -11.444 222 HE2 LYS 27 1HE LYS 27 25.864 9.561 -14.161 223 HE3 LYS 27 2HE LYS 27 25.232 11.172 -13.821 224 HZ1 LYS 27 3HZ LYS 27 26.692 10.974 -11.716 225 HZ2 LYS 27 1HZ LYS 27 27.421 11.356 -13.194 226 HZ3 LYS 27 2HZ LYS 27 27.512 9.779 -12.589 227 H GLY 28 H GLY 28 22.832 4.491 -9.957 228 HA2 GLY 28 1HA GLY 28 22.847 3.772 -7.722 229 HA3 GLY 28 2HA GLY 28 22.731 5.447 -7.205 230 H ASP 29 H ASP 29 20.524 4.656 -9.650 231 HA ASP 29 HA ASP 29 18.317 4.902 -7.800 232 HB2 ASP 29 1HB ASP 29 18.368 6.025 -10.047 233 HB3 ASP 29 2HB ASP 29 18.213 4.433 -10.785 234 H ILE 30 H ILE 30 16.444 3.410 -7.942 235 HA ILE 30 HA ILE 30 17.281 0.634 -8.461 236 HB ILE 30 HB ILE 30 15.608 1.546 -6.118 237 HG12 ILE 30 1HG1 ILE 30 18.391 0.372 -6.074 238 HG13 ILE 30 2HG1 ILE 30 18.075 2.103 -6.021 239 HG21 ILE 30 1HG2 ILE 30 16.573 -1.065 -5.754 240 HG22 ILE 30 2HG2 ILE 30 14.907 -0.557 -6.028 241 HG23 ILE 30 3HG2 ILE 30 15.930 -0.998 -7.395 242 HD11 ILE 30 3HD1 ILE 30 16.469 1.036 -4.025 243 HD12 ILE 30 1HD1 ILE 30 17.990 0.151 -3.908 244 HD13 ILE 30 2HD1 ILE 30 17.985 1.913 -3.819 245 H LEU 31 H LEU 31 15.878 -0.577 -9.588 246 HA LEU 31 HA LEU 31 13.114 0.377 -9.879 247 HB2 LEU 31 1HB LEU 31 15.007 -0.449 -12.065 248 HB3 LEU 31 2HB LEU 31 13.261 -0.375 -12.287 249 HG LEU 31 HG LEU 31 14.156 1.616 -13.201 250 HD11 LEU 31 1HD1 LEU 31 13.353 2.697 -10.560 251 HD12 LEU 31 2HD1 LEU 31 12.201 1.668 -11.411 252 HD13 LEU 31 3HD1 LEU 31 12.809 3.134 -12.180 253 HD21 LEU 31 3HD2 LEU 31 16.184 1.283 -11.331 254 HD22 LEU 31 1HD2 LEU 31 15.385 2.783 -10.859 255 HD23 LEU 31 2HD2 LEU 31 16.022 2.600 -12.494 256 H THR 32 H THR 32 11.566 -1.182 -9.917 257 HA THR 32 HA THR 32 12.364 -3.839 -9.121 258 HB THR 32 HB THR 32 9.517 -3.365 -9.736 259 HG1 THR 32 HG1 THR 32 9.645 -1.414 -8.854 260 HG21 THR 32 3HG2 THR 32 10.540 -4.101 -7.046 261 HG22 THR 32 1HG2 THR 32 10.813 -5.244 -8.361 262 HG23 THR 32 2HG2 THR 32 9.171 -4.747 -7.951 263 H LEU 33 H LEU 33 12.632 -5.520 -10.430 264 HA LEU 33 HA LEU 33 12.180 -5.287 -13.245 265 HB2 LEU 33 1HB LEU 33 14.077 -6.526 -12.284 266 HB3 LEU 33 2HB LEU 33 12.950 -7.699 -11.607 267 HG LEU 33 HG LEU 33 14.216 -8.309 -13.758 268 HD11 LEU 33 1HD1 LEU 33 11.615 -8.916 -12.797 269 HD12 LEU 33 2HD1 LEU 33 12.711 -9.932 -13.733 270 HD13 LEU 33 3HD1 LEU 33 11.560 -8.881 -14.559 271 HD21 LEU 33 3HD2 LEU 33 13.361 -5.969 -14.704 272 HD22 LEU 33 1HD2 LEU 33 12.017 -6.982 -15.233 273 HD23 LEU 33 2HD2 LEU 33 13.662 -7.361 -15.745 274 H LEU 34 H LEU 34 10.526 -6.007 -14.447 275 HA LEU 34 HA LEU 34 8.380 -7.473 -13.062 276 HB2 LEU 34 1HB LEU 34 8.389 -5.277 -15.040 277 HB3 LEU 34 2HB LEU 34 7.139 -6.504 -15.234 278 HG LEU 34 HG LEU 34 6.289 -4.611 -13.984 279 HD11 LEU 34 1HD1 LEU 34 6.299 -7.311 -13.078 280 HD12 LEU 34 2HD1 LEU 34 5.034 -6.093 -12.921 281 HD13 LEU 34 3HD1 LEU 34 6.275 -6.240 -11.677 282 HD21 LEU 34 3HD2 LEU 34 8.349 -3.760 -13.050 283 HD22 LEU 34 1HD2 LEU 34 8.528 -5.203 -12.052 284 HD23 LEU 34 2HD2 LEU 34 7.199 -4.082 -11.752 285 H ASN 35 H ASN 35 10.261 -7.243 -16.033 286 HA ASN 35 HA ASN 35 9.761 -10.059 -16.545 287 HB2 ASN 35 1HB ASN 35 8.443 -7.959 -18.024 288 HB3 ASN 35 2HB ASN 35 9.501 -8.883 -19.088 289 HD21 ASN 35 2HD2 ASN 35 9.348 -11.363 -18.492 290 HD22 ASN 35 1HD2 ASN 35 7.731 -11.970 -18.461 291 H SER 36 H SER 36 11.586 -11.019 -17.154 292 HA SER 36 HA SER 36 13.705 -9.357 -18.354 293 HB2 SER 36 1HB SER 36 15.364 -10.561 -17.127 294 HB3 SER 36 2HB SER 36 14.119 -10.101 -15.965 295 HG SER 36 HG SER 36 13.263 -12.344 -16.656 296 H THR 37 H THR 37 11.782 -10.726 -19.873 297 HA THR 37 HA THR 37 12.634 -13.285 -20.717 298 HB THR 37 HB THR 37 10.372 -12.503 -21.178 299 HG1 THR 37 HG1 THR 37 11.705 -12.798 -23.671 300 HG21 THR 37 3HG2 THR 37 11.243 -10.102 -21.663 301 HG22 THR 37 1HG2 THR 37 9.832 -10.698 -22.535 302 HG23 THR 37 2HG2 THR 37 11.412 -10.684 -23.319 303 H ASN 38 H ASN 38 13.718 -10.089 -21.460 304 HA ASN 38 HA ASN 38 15.333 -11.110 -23.695 305 HB2 ASN 38 1HB ASN 38 13.741 -8.959 -23.748 306 HB3 ASN 38 2HB ASN 38 15.198 -8.193 -23.122 307 HD21 ASN 38 2HD2 ASN 38 13.695 -9.705 -25.832 308 HD22 ASN 38 1HD2 ASN 38 14.933 -9.354 -26.985 309 H LYS 39 H LYS 39 17.518 -9.971 -23.889 310 HA LYS 39 HA LYS 39 18.779 -9.924 -21.228 311 HB2 LYS 39 1HB LYS 39 20.828 -10.678 -22.303 312 HB3 LYS 39 2HB LYS 39 19.510 -11.784 -22.667 313 HG2 LYS 39 1HG LYS 39 19.244 -10.437 -24.835 314 HG3 LYS 39 2HG LYS 39 20.848 -9.800 -24.466 315 HD2 LYS 39 1HD LYS 39 20.225 -12.744 -24.604 316 HD3 LYS 39 2HD LYS 39 20.803 -11.809 -25.984 317 HE2 LYS 39 1HE LYS 39 22.267 -11.903 -23.358 318 HE3 LYS 39 2HE LYS 39 22.552 -13.074 -24.645 319 HZ1 LYS 39 3HZ LYS 39 24.147 -11.449 -25.001 320 HZ2 LYS 39 1HZ LYS 39 23.096 -10.174 -24.640 321 HZ3 LYS 39 2HZ LYS 39 22.931 -11.020 -26.095 322 H ASP 40 H ASP 40 18.333 -8.226 -24.218 323 HA ASP 40 HA ASP 40 20.427 -6.312 -23.791 324 HB2 ASP 40 1HB ASP 40 18.040 -6.253 -25.651 325 HB3 ASP 40 2HB ASP 40 19.370 -5.098 -25.679 326 H TRP 41 H TRP 41 16.868 -6.106 -23.675 327 HA TRP 41 HA TRP 41 17.164 -3.913 -21.729 328 HB2 TRP 41 1HB TRP 41 14.954 -4.130 -23.782 329 HB3 TRP 41 2HB TRP 41 15.255 -2.790 -22.679 330 HD1 TRP 41 HD1 TRP 41 16.856 -4.486 -25.762 331 HE1 TRP 41 HE1 TRP 41 18.253 -2.719 -27.009 332 HE3 TRP 41 HE3 TRP 41 16.358 -0.594 -22.484 333 HZ2 TRP 41 HZ2 TRP 41 19.039 -0.032 -26.651 334 HZ3 TRP 41 HZ3 TRP 41 17.464 1.540 -23.010 335 HH2 TRP 41 HH2 TRP 41 18.777 1.813 -25.050 336 H TRP 42 H TRP 42 15.882 -3.977 -19.943 337 HA TRP 42 HA TRP 42 14.139 -6.336 -19.676 338 HB2 TRP 42 1HB TRP 42 15.603 -4.789 -17.526 339 HB3 TRP 42 2HB TRP 42 14.555 -6.178 -17.248 340 HD1 TRP 42 HD1 TRP 42 15.835 -7.760 -19.896 341 HE1 TRP 42 HE1 TRP 42 18.100 -8.931 -19.545 342 HE3 TRP 42 HE3 TRP 42 17.412 -5.245 -15.734 343 HZ2 TRP 42 HZ2 TRP 42 20.268 -8.806 -17.741 344 HZ3 TRP 42 HZ3 TRP 42 19.593 -5.831 -14.758 345 HH2 TRP 42 HH2 TRP 42 20.989 -7.575 -15.741 346 H LYS 43 H LYS 43 12.161 -6.121 -18.540 347 HA LYS 43 HA LYS 43 10.994 -3.455 -18.798 348 HB2 LYS 43 1HB LYS 43 9.814 -5.312 -19.870 349 HB3 LYS 43 2HB LYS 43 9.696 -6.145 -18.325 350 HG2 LYS 43 1HG LYS 43 7.611 -5.209 -18.501 351 HG3 LYS 43 2HG LYS 43 8.464 -3.979 -17.565 352 HD2 LYS 43 1HD LYS 43 7.908 -2.488 -19.119 353 HD3 LYS 43 2HD LYS 43 8.925 -3.363 -20.267 354 HE2 LYS 43 1HE LYS 43 6.636 -3.049 -21.104 355 HE3 LYS 43 2HE LYS 43 7.048 -4.752 -20.915 356 HZ1 LYS 43 3HZ LYS 43 4.851 -3.480 -19.884 357 HZ2 LYS 43 1HZ LYS 43 5.870 -3.690 -18.549 358 HZ3 LYS 43 2HZ LYS 43 5.401 -5.026 -19.474 359 H VAL 44 H VAL 44 11.152 -2.210 -17.051 360 HA VAL 44 HA VAL 44 10.705 -3.445 -14.410 361 HB VAL 44 HB VAL 44 12.071 -1.713 -13.415 362 HG11 VAL 44 1HG1 VAL 44 14.266 -2.276 -14.448 363 HG12 VAL 44 2HG1 VAL 44 13.256 -3.681 -14.104 364 HG13 VAL 44 3HG1 VAL 44 13.394 -3.076 -15.755 365 HG21 VAL 44 3HG2 VAL 44 13.399 -0.223 -15.032 366 HG22 VAL 44 1HG2 VAL 44 12.148 -0.624 -16.208 367 HG23 VAL 44 2HG2 VAL 44 11.718 0.200 -14.709 368 H GLU 45 H GLU 45 9.690 -2.043 -12.793 369 HA GLU 45 HA GLU 45 7.715 -0.252 -14.043 370 HB2 GLU 45 1HB GLU 45 6.715 -2.215 -12.996 371 HB3 GLU 45 2HB GLU 45 7.530 -1.848 -11.483 372 HG2 GLU 45 1HG GLU 45 6.264 0.345 -11.495 373 HG3 GLU 45 2HG GLU 45 5.297 -0.339 -12.801 374 H VAL 46 H VAL 46 7.786 1.838 -13.556 375 HA VAL 46 HA VAL 46 9.381 2.673 -11.224 376 HB VAL 46 HB VAL 46 9.813 4.765 -12.350 377 HG11 VAL 46 1HG1 VAL 46 10.930 2.405 -13.016 378 HG12 VAL 46 2HG1 VAL 46 10.365 2.943 -14.599 379 HG13 VAL 46 3HG1 VAL 46 11.461 3.958 -13.662 380 HG21 VAL 46 3HG2 VAL 46 8.019 3.688 -14.520 381 HG22 VAL 46 1HG2 VAL 46 7.744 5.109 -13.511 382 HG23 VAL 46 2HG2 VAL 46 9.049 5.108 -14.697 383 H LYS 47 H LYS 47 8.697 4.929 -10.425 384 HA LYS 47 HA LYS 47 5.757 4.986 -10.216 385 HB2 LYS 47 1HB LYS 47 7.832 5.790 -8.169 386 HB3 LYS 47 2HB LYS 47 6.098 6.013 -7.977 387 HG2 LYS 47 1HG LYS 47 5.701 3.756 -7.715 388 HG3 LYS 47 2HG LYS 47 7.195 3.293 -8.534 389 HD2 LYS 47 1HD LYS 47 7.449 2.858 -6.188 390 HD3 LYS 47 2HD LYS 47 8.467 4.236 -6.612 391 HE2 LYS 47 1HE LYS 47 6.494 5.685 -5.871 392 HE3 LYS 47 2HE LYS 47 5.852 4.218 -5.134 393 HZ1 LYS 47 3HZ LYS 47 7.077 5.414 -3.497 394 HZ2 LYS 47 1HZ LYS 47 8.429 5.549 -4.506 395 HZ3 LYS 47 2HZ LYS 47 7.975 4.037 -3.897 396 H ALA 48 H ALA 48 4.732 7.033 -10.086 397 HA ALA 48 HA ALA 48 6.359 9.373 -10.748 398 HB1 ALA 48 1HB ALA 48 5.823 9.000 -12.919 399 HB2 ALA 48 2HB ALA 48 4.363 8.094 -12.520 400 HB3 ALA 48 3HB ALA 48 4.357 9.856 -12.440 401 H THR 49 H THR 49 5.564 11.282 -9.977 402 HA THR 49 HA THR 49 2.951 11.193 -8.618 403 HB THR 49 HB THR 49 5.450 12.556 -7.595 404 HG1 THR 49 HG1 THR 49 5.558 10.916 -6.158 405 HG21 THR 49 3HG2 THR 49 3.513 13.853 -7.001 406 HG22 THR 49 1HG2 THR 49 4.050 12.971 -5.572 407 HG23 THR 49 2HG2 THR 49 2.648 12.406 -6.481 408 H ALA 50 H ALA 50 1.585 12.683 -9.335 409 HA ALA 50 HA ALA 50 2.473 15.357 -9.965 410 HB1 ALA 50 1HB ALA 50 1.266 15.182 -12.253 411 HB2 ALA 50 2HB ALA 50 2.925 14.600 -12.105 412 HB3 ALA 50 3HB ALA 50 1.585 13.454 -12.094 413 H ASN 51 H ASN 51 0.755 16.861 -10.128 414 HA ASN 51 HA ASN 51 -1.181 17.725 -9.255 415 HB2 ASN 51 1HB ASN 51 -3.212 16.829 -10.340 416 HB3 ASN 51 2HB ASN 51 -1.898 17.062 -11.491 417 HD21 ASN 51 2HD2 ASN 51 -0.930 15.292 -12.435 418 HD22 ASN 51 1HD2 ASN 51 -1.602 13.703 -12.343 419 H GLY 52 H GLY 52 -0.042 16.303 -7.287 420 HA2 GLY 52 1HA GLY 52 -0.442 15.147 -5.341 421 HA3 GLY 52 2HA GLY 52 -2.077 15.770 -5.502 422 H LYS 53 H LYS 53 -0.397 13.486 -7.619 423 HA LYS 53 HA LYS 53 -2.141 11.333 -6.669 424 HB2 LYS 53 1HB LYS 53 -1.924 12.306 -9.514 425 HB3 LYS 53 2HB LYS 53 -2.498 10.693 -9.113 426 HG2 LYS 53 1HG LYS 53 -3.748 13.205 -8.033 427 HG3 LYS 53 2HG LYS 53 -4.280 12.407 -9.515 428 HD2 LYS 53 1HD LYS 53 -4.125 11.023 -6.842 429 HD3 LYS 53 2HD LYS 53 -5.583 11.814 -7.447 430 HE2 LYS 53 1HE LYS 53 -5.517 10.345 -9.429 431 HE3 LYS 53 2HE LYS 53 -4.109 9.528 -8.752 432 HZ1 LYS 53 3HZ LYS 53 -5.970 9.459 -6.752 433 HZ2 LYS 53 1HZ LYS 53 -5.554 8.176 -7.774 434 HZ3 LYS 53 2HZ LYS 53 -6.874 9.163 -8.151 435 H THR 54 H THR 54 -1.228 9.333 -6.710 436 HA THR 54 HA THR 54 1.531 9.176 -7.737 437 HB THR 54 HB THR 54 1.501 7.120 -6.036 438 HG1 THR 54 HG1 THR 54 0.193 7.517 -4.287 439 HG21 THR 54 3HG2 THR 54 3.155 8.794 -5.843 440 HG22 THR 54 1HG2 THR 54 2.348 8.755 -4.277 441 HG23 THR 54 2HG2 THR 54 1.968 10.032 -5.433 442 H TYR 55 H TYR 55 1.792 7.922 -9.453 443 HA TYR 55 HA TYR 55 0.218 5.462 -9.686 444 HB2 TYR 55 1HB TYR 55 -0.310 5.883 -12.013 445 HB3 TYR 55 2HB TYR 55 -0.911 7.217 -11.034 446 HD1 TYR 55 HD1 TYR 55 0.135 9.422 -11.157 447 HD2 TYR 55 HD2 TYR 55 1.494 6.206 -13.589 448 HE1 TYR 55 HE1 TYR 55 1.356 11.018 -12.576 449 HE2 TYR 55 HE2 TYR 55 2.719 7.793 -15.014 450 HH TYR 55 HH TYR 55 2.769 11.265 -14.276 451 H GLU 56 H GLU 56 1.223 3.797 -10.821 452 HA GLU 56 HA GLU 56 4.084 4.241 -11.355 453 HB2 GLU 56 1HB GLU 56 2.771 1.586 -10.786 454 HB3 GLU 56 2HB GLU 56 4.488 1.964 -10.774 455 HG2 GLU 56 1HG GLU 56 4.074 1.939 -8.541 456 HG3 GLU 56 2HG GLU 56 3.773 3.642 -8.884 457 H ARG 57 H ARG 57 5.018 3.439 -13.224 458 HA ARG 57 HA ARG 57 3.201 2.285 -15.226 459 HB2 ARG 57 1HB ARG 57 4.435 3.705 -16.940 460 HB3 ARG 57 2HB ARG 57 3.303 4.549 -15.892 461 HG2 ARG 57 1HG ARG 57 4.907 5.800 -14.959 462 HG3 ARG 57 2HG ARG 57 6.048 4.455 -14.878 463 HD2 ARG 57 1HD ARG 57 7.085 5.133 -16.726 464 HD3 ARG 57 2HD ARG 57 5.564 5.232 -17.611 465 HE ARG 57 HE ARG 57 7.026 7.399 -16.462 466 HH11 ARG 57 1HH1 ARG 57 3.832 6.280 -17.281 467 HH12 ARG 57 2HH1 ARG 57 3.172 7.875 -17.437 468 HH21 ARG 57 1HH2 ARG 57 6.168 9.503 -16.664 469 HH22 ARG 57 2HH2 ARG 57 4.502 9.707 -17.087 470 H GLN 58 H GLN 58 4.146 0.885 -16.717 471 HA GLN 58 HA GLN 58 6.739 -0.176 -15.879 472 HB2 GLN 58 1HB GLN 58 4.511 -1.300 -17.570 473 HB3 GLN 58 2HB GLN 58 6.081 -2.082 -17.438 474 HG2 GLN 58 1HG GLN 58 5.790 -2.470 -15.119 475 HG3 GLN 58 2HG GLN 58 4.366 -1.433 -15.059 476 HE21 GLN 58 2HE2 GLN 58 5.562 -4.301 -16.771 477 HE22 GLN 58 1HE2 GLN 58 4.063 -5.160 -16.732 478 H GLY 59 H GLY 59 8.520 -0.195 -17.152 479 HA2 GLY 59 1HA GLY 59 8.269 0.603 -19.960 480 HA3 GLY 59 2HA GLY 59 9.258 1.608 -18.911 481 H PHE 60 H PHE 60 10.694 0.806 -20.841 482 HA PHE 60 HA PHE 60 12.038 -1.677 -20.001 483 HB2 PHE 60 1HB PHE 60 12.028 -0.364 -22.727 484 HB3 PHE 60 2HB PHE 60 12.876 -1.849 -22.309 485 HD1 PHE 60 HD2 PHE 60 9.623 -0.326 -22.977 486 HD2 PHE 60 HD1 PHE 60 11.679 -3.921 -21.992 487 HE1 PHE 60 HE2 PHE 60 7.615 -1.627 -23.550 488 HE2 PHE 60 HE1 PHE 60 9.674 -5.228 -22.564 489 HZ PHE 60 HZ PHE 60 7.638 -4.081 -23.343 490 H VAL 61 H VAL 61 14.188 -1.654 -19.563 491 HA VAL 61 HA VAL 61 15.635 0.881 -19.949 492 HB VAL 61 HB VAL 61 16.785 0.461 -17.767 493 HG11 VAL 61 1HG1 VAL 61 13.894 0.709 -17.128 494 HG12 VAL 61 2HG1 VAL 61 15.258 1.704 -16.615 495 HG13 VAL 61 3HG1 VAL 61 14.599 1.880 -18.242 496 HG21 VAL 61 3HG2 VAL 61 15.935 -1.096 -16.200 497 HG22 VAL 61 1HG2 VAL 61 14.523 -1.441 -17.199 498 HG23 VAL 61 2HG2 VAL 61 16.121 -1.980 -17.714 499 HA PRO 62 HA PRO 62 18.892 -1.520 -21.654 500 HB2 PRO 62 1HB PRO 62 21.053 -0.038 -20.942 501 HB3 PRO 62 2HB PRO 62 19.910 0.469 -22.192 502 HG2 PRO 62 1HG PRO 62 20.077 1.310 -19.323 503 HG3 PRO 62 2HG PRO 62 19.791 2.301 -20.765 504 HD2 PRO 62 1HD PRO 62 17.791 1.509 -19.121 505 HD3 PRO 62 2HD PRO 62 17.560 1.733 -20.867 506 H ALA 63 H ALA 63 19.336 -3.454 -20.785 507 HA ALA 63 HA ALA 63 19.895 -3.935 -18.069 508 HB1 ALA 63 1HB ALA 63 19.011 -5.700 -19.407 509 HB2 ALA 63 2HB ALA 63 20.380 -5.622 -20.517 510 HB3 ALA 63 3HB ALA 63 20.615 -6.193 -18.865 511 H ALA 64 H ALA 64 21.847 -2.679 -20.532 512 HA ALA 64 HA ALA 64 24.367 -3.678 -19.572 513 HB1 ALA 64 1HB ALA 64 23.723 -1.453 -21.503 514 HB2 ALA 64 2HB ALA 64 25.342 -2.068 -21.169 515 HB3 ALA 64 3HB ALA 64 24.135 -3.119 -21.909 516 H TYR 65 H TYR 65 22.280 -1.054 -18.798 517 HA TYR 65 HA TYR 65 24.415 0.288 -17.288 518 HB2 TYR 65 1HB TYR 65 21.667 1.290 -18.062 519 HB3 TYR 65 2HB TYR 65 22.872 2.210 -17.168 520 HD1 TYR 65 HD1 TYR 65 25.219 1.036 -18.903 521 HD2 TYR 65 HD2 TYR 65 21.537 2.958 -19.826 522 HE1 TYR 65 HE1 TYR 65 26.177 1.842 -21.020 523 HE2 TYR 65 HE2 TYR 65 22.484 3.768 -21.946 524 HH TYR 65 HH TYR 65 25.878 3.338 -22.725 525 H VAL 66 H VAL 66 21.499 -1.530 -16.981 526 HA VAL 66 HA VAL 66 21.513 -1.072 -14.068 527 HB VAL 66 HB VAL 66 19.170 -1.601 -13.995 528 HG11 VAL 66 1HG1 VAL 66 18.254 0.214 -15.485 529 HG12 VAL 66 2HG1 VAL 66 19.577 0.698 -14.421 530 HG13 VAL 66 3HG1 VAL 66 19.885 0.395 -16.132 531 HG21 VAL 66 3HG2 VAL 66 18.030 -1.824 -16.354 532 HG22 VAL 66 1HG2 VAL 66 19.618 -2.431 -16.820 533 HG23 VAL 66 2HG2 VAL 66 18.708 -3.233 -15.540 534 H LYS 67 H LYS 67 21.456 -2.823 -12.700 535 HA LYS 67 HA LYS 67 21.338 -5.507 -13.843 536 HB2 LYS 67 1HB LYS 67 23.694 -5.066 -13.924 537 HB3 LYS 67 2HB LYS 67 23.686 -4.417 -12.289 538 HG2 LYS 67 1HG LYS 67 23.156 -6.631 -11.408 539 HG3 LYS 67 2HG LYS 67 23.156 -7.284 -13.049 540 HD2 LYS 67 1HD LYS 67 25.535 -5.893 -11.836 541 HD3 LYS 67 2HD LYS 67 25.276 -7.635 -11.715 542 HE2 LYS 67 1HE LYS 67 25.537 -6.040 -14.263 543 HE3 LYS 67 2HE LYS 67 26.762 -7.101 -13.570 544 HZ1 LYS 67 3HZ LYS 67 24.561 -7.763 -15.229 545 HZ2 LYS 67 1HZ LYS 67 24.474 -8.625 -13.776 546 HZ3 LYS 67 2HZ LYS 67 25.858 -8.732 -14.742 547 H LYS 68 H LYS 68 20.563 -7.046 -12.454 548 HA LYS 68 HA LYS 68 18.934 -6.306 -10.347 549 HB2 LYS 68 1HB LYS 68 20.160 -8.897 -11.197 550 HB3 LYS 68 2HB LYS 68 19.315 -8.822 -9.656 551 HG2 LYS 68 1HG LYS 68 17.644 -9.504 -11.072 552 HG3 LYS 68 2HG LYS 68 17.404 -7.755 -11.062 553 HD2 LYS 68 1HD LYS 68 17.272 -8.478 -13.329 554 HD3 LYS 68 2HD LYS 68 18.816 -7.645 -13.134 555 HE2 LYS 68 1HE LYS 68 20.036 -9.568 -13.350 556 HE3 LYS 68 2HE LYS 68 18.747 -10.587 -12.709 557 HZ1 LYS 68 3HZ LYS 68 19.314 -9.848 -15.426 558 HZ2 LYS 68 1HZ LYS 68 17.690 -9.620 -15.008 559 HZ3 LYS 68 2HZ LYS 68 18.405 -11.142 -14.825 560 H LEU 69 H LEU 69 19.100 -6.580 -8.070 561 HA LEU 69 HA LEU 69 21.630 -5.755 -7.016 562 HB2 LEU 69 1HB LEU 69 18.906 -6.236 -5.921 563 HB3 LEU 69 2HB LEU 69 20.264 -6.193 -4.798 564 HG LEU 69 HG LEU 69 19.226 -4.033 -4.850 565 HD11 LEU 69 1HD1 LEU 69 21.137 -2.833 -4.944 566 HD12 LEU 69 2HD1 LEU 69 21.575 -3.445 -6.539 567 HD13 LEU 69 3HD1 LEU 69 21.861 -4.433 -5.107 568 HD21 LEU 69 3HD2 LEU 69 18.074 -4.062 -6.930 569 HD22 LEU 69 1HD2 LEU 69 19.580 -4.223 -7.834 570 HD23 LEU 69 2HD2 LEU 69 19.216 -2.718 -6.990 571 H ASP 70 H ASP 70 20.419 -8.732 -7.834 572 HA ASP 70 HA ASP 70 21.934 -10.131 -5.739 573 HB2 ASP 70 1HB ASP 70 20.681 -12.115 -6.318 574 HB3 ASP 70 2HB ASP 70 19.552 -10.786 -6.069 Start of MODEL 19 1 H1 MET 1 H MET 1 19.806 -2.335 -1.156 2 HA MET 1 HA MET 1 18.450 -3.571 1.142 3 HB2 MET 1 1HB MET 1 17.438 -2.227 -1.344 4 HB3 MET 1 2HB MET 1 16.414 -3.349 -0.458 5 HG2 MET 1 1HG MET 1 16.527 -1.989 1.512 6 HG3 MET 1 2HG MET 1 17.712 -0.925 0.758 7 HE1 MET 1 3HE MET 1 15.248 0.607 2.013 8 HE2 MET 1 1HE MET 1 13.701 0.348 1.206 9 HE3 MET 1 2HE MET 1 14.497 -0.989 2.035 10 H ASP 2 H ASP 2 18.575 -5.709 1.197 11 HA ASP 2 HA ASP 2 18.821 -7.191 -1.326 12 HB2 ASP 2 1HB ASP 2 19.282 -8.277 1.452 13 HB3 ASP 2 2HB ASP 2 19.801 -8.972 -0.081 14 H GLU 3 H GLU 3 16.292 -6.177 -0.611 15 HA GLU 3 HA GLU 3 14.835 -8.699 -0.258 16 HB2 GLU 3 1HB GLU 3 13.224 -7.685 1.219 17 HB3 GLU 3 2HB GLU 3 14.831 -7.452 1.894 18 HG2 GLU 3 1HG GLU 3 14.837 -5.160 0.949 19 HG3 GLU 3 2HG GLU 3 13.169 -5.411 0.438 20 H THR 4 H THR 4 12.817 -8.801 -1.298 21 HA THR 4 HA THR 4 11.549 -6.692 -2.626 22 HB THR 4 HB THR 4 13.444 -6.525 -4.086 23 HG1 THR 4 HG1 THR 4 11.651 -6.293 -5.312 24 HG21 THR 4 3HG2 THR 4 13.121 -9.450 -4.746 25 HG22 THR 4 1HG2 THR 4 14.310 -8.832 -3.600 26 HG23 THR 4 2HG2 THR 4 14.390 -8.357 -5.297 27 H GLY 5 H GLY 5 9.531 -7.347 -3.030 28 HA2 GLY 5 1HA GLY 5 8.573 -9.870 -2.448 29 HA3 GLY 5 2HA GLY 5 7.736 -8.711 -3.470 30 H LYS 6 H LYS 6 9.842 -8.671 -5.489 31 HA LYS 6 HA LYS 6 9.631 -11.399 -6.567 32 HB2 LYS 6 1HB LYS 6 9.479 -9.238 -8.559 33 HB3 LYS 6 2HB LYS 6 8.593 -10.755 -8.471 34 HG2 LYS 6 1HG LYS 6 6.882 -9.301 -8.140 35 HG3 LYS 6 2HG LYS 6 7.391 -9.527 -6.465 36 HD2 LYS 6 1HD LYS 6 8.994 -7.464 -7.497 37 HD3 LYS 6 2HD LYS 6 7.351 -7.130 -8.049 38 HE2 LYS 6 1HE LYS 6 8.298 -7.525 -5.217 39 HE3 LYS 6 2HE LYS 6 7.649 -6.053 -5.938 40 HZ1 LYS 6 3HZ LYS 6 5.840 -6.872 -4.816 41 HZ2 LYS 6 1HZ LYS 6 6.234 -8.492 -5.107 42 HZ3 LYS 6 2HZ LYS 6 5.584 -7.543 -6.348 43 H GLU 7 H GLU 7 11.058 -8.224 -7.368 44 HA GLU 7 HA GLU 7 13.722 -9.027 -7.054 45 HB2 GLU 7 1HB GLU 7 13.429 -10.488 -8.928 46 HB3 GLU 7 2HB GLU 7 12.645 -9.225 -9.866 47 HG2 GLU 7 1HG GLU 7 14.879 -9.542 -10.671 48 HG3 GLU 7 2HG GLU 7 14.761 -7.966 -9.891 49 H LEU 8 H LEU 8 15.189 -7.350 -7.459 50 HA LEU 8 HA LEU 8 14.082 -4.855 -8.532 51 HB2 LEU 8 1HB LEU 8 15.178 -5.342 -5.810 52 HB3 LEU 8 2HB LEU 8 15.525 -3.798 -6.586 53 HG LEU 8 HG LEU 8 12.702 -4.768 -6.365 54 HD11 LEU 8 1HD1 LEU 8 12.471 -4.234 -4.186 55 HD12 LEU 8 2HD1 LEU 8 13.701 -2.973 -4.250 56 HD13 LEU 8 3HD1 LEU 8 14.180 -4.665 -4.126 57 HD21 LEU 8 3HD2 LEU 8 12.237 -2.760 -7.188 58 HD22 LEU 8 1HD2 LEU 8 13.967 -2.504 -7.421 59 HD23 LEU 8 2HD2 LEU 8 13.189 -1.970 -5.930 60 H VAL 9 H VAL 9 15.536 -3.547 -9.582 61 HA VAL 9 HA VAL 9 18.278 -4.605 -9.833 62 HB VAL 9 HB VAL 9 18.347 -3.833 -12.113 63 HG11 VAL 9 1HG1 VAL 9 16.746 -5.912 -11.200 64 HG12 VAL 9 2HG1 VAL 9 15.763 -5.096 -12.417 65 HG13 VAL 9 3HG1 VAL 9 17.368 -5.697 -12.836 66 HG21 VAL 9 3HG2 VAL 9 15.630 -2.687 -11.515 67 HG22 VAL 9 1HG2 VAL 9 17.076 -1.842 -12.069 68 HG23 VAL 9 2HG2 VAL 9 16.220 -2.934 -13.158 69 H LEU 10 H LEU 10 19.984 -3.150 -9.909 70 HA LEU 10 HA LEU 10 19.376 -0.509 -8.807 71 HB2 LEU 10 1HB LEU 10 20.960 -1.664 -7.506 72 HB3 LEU 10 2HB LEU 10 21.865 -2.184 -8.927 73 HG LEU 10 HG LEU 10 22.593 0.153 -9.275 74 HD11 LEU 10 1HD1 LEU 10 20.499 0.824 -7.663 75 HD12 LEU 10 2HD1 LEU 10 21.836 1.892 -8.090 76 HD13 LEU 10 3HD1 LEU 10 21.872 0.998 -6.570 77 HD21 LEU 10 3HD2 LEU 10 24.258 0.143 -7.591 78 HD22 LEU 10 1HD2 LEU 10 23.880 -1.547 -7.926 79 HD23 LEU 10 2HD2 LEU 10 23.233 -0.769 -6.482 80 H ALA 11 H ALA 11 20.050 1.395 -9.744 81 HA ALA 11 HA ALA 11 20.604 1.245 -12.600 82 HB1 ALA 11 1HB ALA 11 20.439 3.922 -11.933 83 HB2 ALA 11 2HB ALA 11 19.133 2.918 -12.565 84 HB3 ALA 11 3HB ALA 11 19.310 3.141 -10.825 85 H LEU 12 H LEU 12 22.740 0.802 -12.886 86 HA LEU 12 HA LEU 12 24.834 1.885 -11.323 87 HB2 LEU 12 1HB LEU 12 25.067 0.878 -14.148 88 HB3 LEU 12 2HB LEU 12 26.323 0.924 -12.912 89 HG LEU 12 HG LEU 12 23.873 -0.767 -12.551 90 HD11 LEU 12 1HD1 LEU 12 24.439 -2.080 -14.243 91 HD12 LEU 12 2HD1 LEU 12 25.970 -2.406 -13.431 92 HD13 LEU 12 3HD1 LEU 12 25.854 -1.088 -14.597 93 HD21 LEU 12 3HD2 LEU 12 25.646 -2.131 -11.306 94 HD22 LEU 12 1HD2 LEU 12 25.116 -0.615 -10.577 95 HD23 LEU 12 2HD2 LEU 12 26.657 -0.691 -11.433 96 H TYR 13 H TYR 13 23.270 2.910 -14.296 97 HA TYR 13 HA TYR 13 24.755 5.442 -14.122 98 HB2 TYR 13 1HB TYR 13 24.155 3.890 -16.648 99 HB3 TYR 13 2HB TYR 13 24.802 5.526 -16.609 100 HD1 TYR 13 HD2 TYR 13 25.531 2.001 -15.770 101 HD2 TYR 13 HD1 TYR 13 27.113 5.924 -16.228 102 HE1 TYR 13 HE2 TYR 13 27.812 1.090 -15.646 103 HE2 TYR 13 HE1 TYR 13 29.399 5.023 -16.107 104 HH TYR 13 HH TYR 13 30.079 1.703 -16.341 105 H ASP 14 H ASP 14 23.619 6.998 -15.880 106 HA ASP 14 HA ASP 14 20.816 7.089 -15.040 107 HB2 ASP 14 1HB ASP 14 20.960 9.455 -15.979 108 HB3 ASP 14 2HB ASP 14 21.926 9.120 -14.545 109 H TYR 15 H TYR 15 19.249 7.979 -16.674 110 HA TYR 15 HA TYR 15 19.873 7.221 -19.428 111 HB2 TYR 15 1HB TYR 15 18.731 5.328 -18.021 112 HB3 TYR 15 2HB TYR 15 17.276 6.290 -18.257 113 HD1 TYR 15 HD2 TYR 15 20.139 5.418 -20.501 114 HD2 TYR 15 HD1 TYR 15 15.936 5.295 -19.849 115 HE1 TYR 15 HE2 TYR 15 19.831 4.399 -22.718 116 HE2 TYR 15 HE1 TYR 15 15.617 4.274 -22.064 117 HH TYR 15 HH TYR 15 17.053 4.312 -24.333 118 H GLN 16 H GLN 16 17.902 7.766 -20.871 119 HA GLN 16 HA GLN 16 16.365 10.038 -19.893 120 HB2 GLN 16 1HB GLN 16 18.705 10.303 -21.565 121 HB3 GLN 16 2HB GLN 16 17.276 10.883 -22.410 122 HG2 GLN 16 1HG GLN 16 17.357 11.826 -19.678 123 HG3 GLN 16 2HG GLN 16 18.807 12.277 -20.574 124 HE21 GLN 16 2HE2 GLN 16 15.665 13.104 -19.868 125 HE22 GLN 16 1HE2 GLN 16 15.397 14.255 -21.129 126 H GLU 17 H GLU 17 14.468 8.944 -20.222 127 HA GLU 17 HA GLU 17 13.762 7.294 -22.307 128 HB2 GLU 17 1HB GLU 17 11.417 7.891 -21.805 129 HB3 GLU 17 2HB GLU 17 12.352 7.557 -20.355 130 HG2 GLU 17 1HG GLU 17 12.685 10.074 -20.186 131 HG3 GLU 17 2HG GLU 17 11.411 10.205 -21.398 132 H LYS 18 H LYS 18 12.991 7.533 -24.353 133 HA LYS 18 HA LYS 18 12.931 10.277 -25.429 134 HB2 LYS 18 1HB LYS 18 13.672 9.314 -27.582 135 HB3 LYS 18 2HB LYS 18 14.848 9.073 -26.298 136 HG2 LYS 18 1HG LYS 18 12.860 6.927 -26.859 137 HG3 LYS 18 2HG LYS 18 14.239 7.135 -27.942 138 HD2 LYS 18 1HD LYS 18 15.113 7.239 -25.209 139 HD3 LYS 18 2HD LYS 18 14.169 5.773 -25.483 140 HE2 LYS 18 1HE LYS 18 16.214 5.010 -26.129 141 HE3 LYS 18 2HE LYS 18 15.666 5.671 -27.669 142 HZ1 LYS 18 3HZ LYS 18 17.126 7.432 -25.835 143 HZ2 LYS 18 1HZ LYS 18 17.087 7.431 -27.527 144 HZ3 LYS 18 2HZ LYS 18 18.003 6.273 -26.701 145 H SER 19 H SER 19 11.334 7.223 -25.165 146 HA SER 19 HA SER 19 9.113 8.274 -26.794 147 HB2 SER 19 1HB SER 19 10.536 5.740 -26.987 148 HB3 SER 19 2HB SER 19 8.802 5.508 -26.772 149 HG SER 19 HG SER 19 9.542 5.756 -28.996 150 HA PRO 20 HA PRO 20 6.423 7.706 -23.376 151 HB2 PRO 20 1HB PRO 20 4.149 6.820 -24.566 152 HB3 PRO 20 2HB PRO 20 4.722 8.486 -24.709 153 HG2 PRO 20 1HG PRO 20 5.010 6.212 -26.634 154 HG3 PRO 20 2HG PRO 20 4.597 7.906 -26.957 155 HD2 PRO 20 1HD PRO 20 7.087 6.915 -27.343 156 HD3 PRO 20 2HD PRO 20 6.794 8.594 -26.847 157 H ARG 21 H ARG 21 7.159 5.010 -25.410 158 HA ARG 21 HA ARG 21 5.924 3.097 -23.587 159 HB2 ARG 21 1HB ARG 21 6.545 1.409 -25.231 160 HB3 ARG 21 2HB ARG 21 5.694 2.737 -26.008 161 HG2 ARG 21 1HG ARG 21 7.940 3.665 -26.646 162 HG3 ARG 21 2HG ARG 21 8.640 2.149 -26.074 163 HD2 ARG 21 1HD ARG 21 8.371 1.760 -28.342 164 HD3 ARG 21 2HD ARG 21 6.918 1.038 -27.651 165 HE ARG 21 HE ARG 21 6.317 3.677 -28.295 166 HH11 ARG 21 1HH1 ARG 21 7.210 0.731 -29.919 167 HH12 ARG 21 2HH1 ARG 21 6.367 1.127 -31.380 168 HH21 ARG 21 1HH2 ARG 21 5.203 4.210 -30.213 169 HH22 ARG 21 2HH2 ARG 21 5.227 3.107 -31.546 170 H GLU 22 H GLU 22 8.383 4.824 -23.039 171 HA GLU 22 HA GLU 22 10.041 2.625 -22.023 172 HB2 GLU 22 1HB GLU 22 10.885 4.016 -24.151 173 HB3 GLU 22 2HB GLU 22 11.440 5.100 -22.883 174 HG2 GLU 22 1HG GLU 22 13.215 3.830 -22.572 175 HG3 GLU 22 2HG GLU 22 12.175 2.476 -22.135 176 H VAL 23 H VAL 23 11.805 3.717 -20.493 177 HA VAL 23 HA VAL 23 10.565 5.843 -18.902 178 HB VAL 23 HB VAL 23 11.243 4.523 -16.816 179 HG11 VAL 23 1HG1 VAL 23 8.935 3.658 -18.550 180 HG12 VAL 23 2HG1 VAL 23 9.110 3.221 -16.849 181 HG13 VAL 23 3HG1 VAL 23 8.938 4.914 -17.312 182 HG21 VAL 23 3HG2 VAL 23 12.578 2.811 -17.885 183 HG22 VAL 23 1HG2 VAL 23 11.197 2.069 -17.078 184 HG23 VAL 23 2HG2 VAL 23 11.188 2.276 -18.830 185 H THR 24 H THR 24 12.088 6.643 -17.182 186 HA THR 24 HA THR 24 14.888 6.424 -18.077 187 HB THR 24 HB THR 24 13.526 8.648 -18.540 188 HG1 THR 24 HG1 THR 24 16.120 8.833 -17.392 189 HG21 THR 24 3HG2 THR 24 13.681 10.274 -16.800 190 HG22 THR 24 1HG2 THR 24 14.602 9.175 -15.773 191 HG23 THR 24 2HG2 THR 24 12.902 8.850 -16.111 192 H MET 25 H MET 25 16.475 6.449 -16.500 193 HA MET 25 HA MET 25 15.570 6.517 -13.705 194 HB2 MET 25 1HB MET 25 17.449 4.464 -14.889 195 HB3 MET 25 2HB MET 25 17.018 4.599 -13.190 196 HG2 MET 25 1HG MET 25 15.177 3.901 -15.464 197 HG3 MET 25 2HG MET 25 15.773 2.816 -14.211 198 HE1 MET 25 3HE MET 25 15.762 4.089 -11.733 199 HE2 MET 25 1HE MET 25 15.185 5.746 -11.913 200 HE3 MET 25 2HE MET 25 14.213 4.564 -11.037 201 H LYS 26 H LYS 26 17.589 6.504 -12.210 202 HA LYS 26 HA LYS 26 19.718 8.154 -13.390 203 HB2 LYS 26 1HB LYS 26 17.955 9.476 -12.088 204 HB3 LYS 26 2HB LYS 26 18.580 8.681 -10.649 205 HG2 LYS 26 1HG LYS 26 20.754 9.657 -10.999 206 HG3 LYS 26 2HG LYS 26 20.226 10.362 -12.528 207 HD2 LYS 26 1HD LYS 26 18.611 11.750 -11.352 208 HD3 LYS 26 2HD LYS 26 19.069 11.011 -9.816 209 HE2 LYS 26 1HE LYS 26 20.162 13.144 -10.015 210 HE3 LYS 26 2HE LYS 26 21.371 11.868 -10.147 211 HZ1 LYS 26 3HZ LYS 26 21.688 12.272 -12.367 212 HZ2 LYS 26 1HZ LYS 26 21.375 13.839 -11.810 213 HZ3 LYS 26 2HZ LYS 26 20.159 12.960 -12.591 214 H LYS 27 H LYS 27 21.764 7.859 -12.560 215 HA LYS 27 HA LYS 27 22.492 5.379 -11.602 216 HB2 LYS 27 1HB LYS 27 24.639 6.534 -10.879 217 HB3 LYS 27 2HB LYS 27 24.180 6.725 -12.566 218 HG2 LYS 27 1HG LYS 27 23.121 8.826 -10.852 219 HG3 LYS 27 2HG LYS 27 24.885 8.742 -10.849 220 HD2 LYS 27 1HD LYS 27 23.526 8.557 -13.477 221 HD3 LYS 27 2HD LYS 27 23.506 10.127 -12.670 222 HE2 LYS 27 1HE LYS 27 26.075 8.625 -12.864 223 HE3 LYS 27 2HE LYS 27 25.465 9.464 -14.289 224 HZ1 LYS 27 3HZ LYS 27 26.694 10.536 -11.945 225 HZ2 LYS 27 1HZ LYS 27 25.213 11.285 -12.271 226 HZ3 LYS 27 2HZ LYS 27 26.427 11.265 -13.448 227 H GLY 28 H GLY 28 21.770 4.460 -9.788 228 HA2 GLY 28 1HA GLY 28 22.252 4.321 -7.383 229 HA3 GLY 28 2HA GLY 28 21.931 6.047 -7.300 230 H ASP 29 H ASP 29 19.772 4.667 -9.417 231 HA ASP 29 HA ASP 29 17.673 4.719 -7.378 232 HB2 ASP 29 1HB ASP 29 17.655 5.983 -9.691 233 HB3 ASP 29 2HB ASP 29 17.098 4.426 -10.299 234 H ILE 30 H ILE 30 15.985 3.085 -7.414 235 HA ILE 30 HA ILE 30 16.916 0.483 -8.434 236 HB ILE 30 HB ILE 30 15.475 0.867 -5.811 237 HG12 ILE 30 1HG1 ILE 30 18.416 0.349 -6.303 238 HG13 ILE 30 2HG1 ILE 30 17.730 1.864 -5.726 239 HG21 ILE 30 1HG2 ILE 30 15.903 -1.388 -7.442 240 HG22 ILE 30 2HG2 ILE 30 16.967 -1.559 -6.047 241 HG23 ILE 30 3HG2 ILE 30 15.233 -1.338 -5.812 242 HD11 ILE 30 3HD1 ILE 30 16.833 0.549 -3.763 243 HD12 ILE 30 1HD1 ILE 30 17.868 -0.772 -4.304 244 HD13 ILE 30 2HD1 ILE 30 18.581 0.771 -3.833 245 H LEU 31 H LEU 31 15.445 -0.712 -9.496 246 HA LEU 31 HA LEU 31 12.622 0.109 -9.346 247 HB2 LEU 31 1HB LEU 31 14.094 -0.735 -11.838 248 HB3 LEU 31 2HB LEU 31 12.393 -0.288 -11.732 249 HG LEU 31 HG LEU 31 13.452 1.574 -12.674 250 HD11 LEU 31 1HD1 LEU 31 12.174 1.783 -10.270 251 HD12 LEU 31 2HD1 LEU 31 12.614 3.135 -11.312 252 HD13 LEU 31 3HD1 LEU 31 13.668 2.674 -9.977 253 HD21 LEU 31 3HD2 LEU 31 15.589 2.172 -12.364 254 HD22 LEU 31 1HD2 LEU 31 15.747 0.608 -11.564 255 HD23 LEU 31 2HD2 LEU 31 15.467 2.064 -10.607 256 H THR 32 H THR 32 11.082 -1.525 -9.597 257 HA THR 32 HA THR 32 11.993 -4.146 -8.801 258 HB THR 32 HB THR 32 9.203 -3.106 -9.328 259 HG1 THR 32 HG1 THR 32 9.220 -3.400 -6.914 260 HG21 THR 32 3HG2 THR 32 10.121 -5.722 -8.130 261 HG22 THR 32 1HG2 THR 32 9.266 -5.510 -9.658 262 HG23 THR 32 2HG2 THR 32 8.457 -5.139 -8.136 263 H LEU 33 H LEU 33 12.524 -5.702 -10.174 264 HA LEU 33 HA LEU 33 12.219 -5.504 -12.964 265 HB2 LEU 33 1HB LEU 33 13.886 -6.886 -11.576 266 HB3 LEU 33 2HB LEU 33 12.610 -8.101 -11.516 267 HG LEU 33 HG LEU 33 14.342 -8.501 -13.263 268 HD11 LEU 33 1HD1 LEU 33 12.805 -9.591 -14.454 269 HD12 LEU 33 2HD1 LEU 33 11.976 -8.103 -14.911 270 HD13 LEU 33 3HD1 LEU 33 11.622 -8.870 -13.363 271 HD21 LEU 33 3HD2 LEU 33 14.487 -7.136 -15.190 272 HD22 LEU 33 1HD2 LEU 33 14.597 -6.049 -13.806 273 HD23 LEU 33 2HD2 LEU 33 13.087 -6.178 -14.708 274 H LEU 34 H LEU 34 10.688 -6.199 -14.345 275 HA LEU 34 HA LEU 34 8.384 -7.633 -13.197 276 HB2 LEU 34 1HB LEU 34 8.587 -5.302 -14.987 277 HB3 LEU 34 2HB LEU 34 7.367 -6.495 -15.427 278 HG LEU 34 HG LEU 34 6.402 -4.694 -14.105 279 HD11 LEU 34 1HD1 LEU 34 5.006 -6.263 -13.401 280 HD12 LEU 34 2HD1 LEU 34 6.049 -6.526 -12.003 281 HD13 LEU 34 3HD1 LEU 34 6.282 -7.480 -13.469 282 HD21 LEU 34 3HD2 LEU 34 8.412 -4.066 -12.854 283 HD22 LEU 34 1HD2 LEU 34 8.309 -5.568 -11.937 284 HD23 LEU 34 2HD2 LEU 34 7.041 -4.351 -11.781 285 H ASN 35 H ASN 35 10.323 -7.169 -16.131 286 HA ASN 35 HA ASN 35 9.944 -9.979 -16.789 287 HB2 ASN 35 1HB ASN 35 8.477 -7.927 -18.101 288 HB3 ASN 35 2HB ASN 35 9.680 -8.527 -19.239 289 HD21 ASN 35 2HD2 ASN 35 8.320 -9.607 -20.572 290 HD22 ASN 35 1HD2 ASN 35 7.405 -10.993 -20.097 291 H SER 36 H SER 36 11.884 -10.787 -17.193 292 HA SER 36 HA SER 36 13.914 -9.032 -18.413 293 HB2 SER 36 1HB SER 36 15.620 -10.199 -17.159 294 HB3 SER 36 2HB SER 36 14.376 -9.656 -16.033 295 HG SER 36 HG SER 36 13.658 -11.703 -15.815 296 H THR 37 H THR 37 12.002 -10.723 -19.794 297 HA THR 37 HA THR 37 13.000 -13.179 -20.616 298 HB THR 37 HB THR 37 10.755 -12.441 -21.217 299 HG1 THR 37 HG1 THR 37 10.939 -12.986 -23.545 300 HG21 THR 37 3HG2 THR 37 11.882 -10.668 -23.350 301 HG22 THR 37 1HG2 THR 37 11.625 -10.042 -21.722 302 HG23 THR 37 2HG2 THR 37 10.265 -10.680 -22.647 303 H ASN 38 H ASN 38 13.928 -9.947 -21.567 304 HA ASN 38 HA ASN 38 15.680 -10.989 -23.665 305 HB2 ASN 38 1HB ASN 38 14.132 -8.755 -23.620 306 HB3 ASN 38 2HB ASN 38 15.678 -8.090 -23.101 307 HD21 ASN 38 2HD2 ASN 38 13.932 -9.620 -25.678 308 HD22 ASN 38 1HD2 ASN 38 15.095 -9.318 -26.920 309 H LYS 39 H LYS 39 17.860 -9.706 -23.771 310 HA LYS 39 HA LYS 39 19.067 -9.804 -21.084 311 HB2 LYS 39 1HB LYS 39 21.195 -10.390 -22.292 312 HB3 LYS 39 2HB LYS 39 19.939 -11.619 -22.363 313 HG2 LYS 39 1HG LYS 39 19.331 -10.833 -24.615 314 HG3 LYS 39 2HG LYS 39 20.650 -9.662 -24.539 315 HD2 LYS 39 1HD LYS 39 21.015 -12.643 -24.263 316 HD3 LYS 39 2HD LYS 39 21.203 -11.759 -25.779 317 HE2 LYS 39 1HE LYS 39 22.924 -10.343 -24.630 318 HE3 LYS 39 2HE LYS 39 22.819 -11.442 -23.255 319 HZ1 LYS 39 3HZ LYS 39 24.014 -11.862 -25.881 320 HZ2 LYS 39 1HZ LYS 39 23.239 -13.191 -25.178 321 HZ3 LYS 39 2HZ LYS 39 24.508 -12.425 -24.365 322 H ASP 40 H ASP 40 18.669 -8.005 -24.013 323 HA ASP 40 HA ASP 40 20.751 -6.096 -23.420 324 HB2 ASP 40 1HB ASP 40 18.552 -6.101 -25.496 325 HB3 ASP 40 2HB ASP 40 19.797 -4.861 -25.375 326 H TRP 41 H TRP 41 17.200 -6.123 -23.380 327 HA TRP 41 HA TRP 41 17.297 -3.844 -21.522 328 HB2 TRP 41 1HB TRP 41 15.153 -4.196 -23.619 329 HB3 TRP 41 2HB TRP 41 15.420 -2.803 -22.575 330 HD1 TRP 41 HD1 TRP 41 17.044 -4.595 -25.586 331 HE1 TRP 41 HE1 TRP 41 18.435 -2.867 -26.892 332 HE3 TRP 41 HE3 TRP 41 16.532 -0.598 -22.440 333 HZ2 TRP 41 HZ2 TRP 41 19.213 -0.167 -26.623 334 HZ3 TRP 41 HZ3 TRP 41 17.631 1.521 -23.037 335 HH2 TRP 41 HH2 TRP 41 18.944 1.730 -25.085 336 H TRP 42 H TRP 42 15.786 -3.844 -19.872 337 HA TRP 42 HA TRP 42 14.116 -6.262 -19.659 338 HB2 TRP 42 1HB TRP 42 15.524 -4.872 -17.371 339 HB3 TRP 42 2HB TRP 42 14.572 -6.351 -17.279 340 HD1 TRP 42 HD1 TRP 42 15.922 -7.725 -19.910 341 HE1 TRP 42 HE1 TRP 42 18.294 -8.696 -19.677 342 HE3 TRP 42 HE3 TRP 42 17.455 -5.136 -15.777 343 HZ2 TRP 42 HZ2 TRP 42 20.520 -8.404 -17.966 344 HZ3 TRP 42 HZ3 TRP 42 19.720 -5.541 -14.905 345 HH2 TRP 42 HH2 TRP 42 21.219 -7.141 -15.978 346 H LYS 43 H LYS 43 12.196 -6.044 -18.349 347 HA LYS 43 HA LYS 43 11.059 -3.358 -18.564 348 HB2 LYS 43 1HB LYS 43 9.811 -5.201 -19.591 349 HB3 LYS 43 2HB LYS 43 9.729 -6.023 -18.038 350 HG2 LYS 43 1HG LYS 43 7.686 -5.053 -18.024 351 HG3 LYS 43 2HG LYS 43 8.611 -3.726 -17.316 352 HD2 LYS 43 1HD LYS 43 7.544 -2.551 -18.941 353 HD3 LYS 43 2HD LYS 43 8.918 -3.114 -19.897 354 HE2 LYS 43 1HE LYS 43 7.638 -4.872 -20.853 355 HE3 LYS 43 2HE LYS 43 6.318 -4.619 -19.712 356 HZ1 LYS 43 3HZ LYS 43 5.991 -3.710 -22.023 357 HZ2 LYS 43 1HZ LYS 43 7.157 -2.543 -21.648 358 HZ3 LYS 43 2HZ LYS 43 5.721 -2.620 -20.758 359 H VAL 44 H VAL 44 11.318 -2.126 -16.819 360 HA VAL 44 HA VAL 44 10.943 -3.363 -14.168 361 HB VAL 44 HB VAL 44 12.376 -1.622 -13.229 362 HG11 VAL 44 1HG1 VAL 44 13.278 -3.596 -15.180 363 HG12 VAL 44 2HG1 VAL 44 14.443 -2.301 -14.897 364 HG13 VAL 44 3HG1 VAL 44 13.855 -3.271 -13.546 365 HG21 VAL 44 3HG2 VAL 44 11.860 0.118 -14.912 366 HG22 VAL 44 1HG2 VAL 44 13.589 -0.066 -14.620 367 HG23 VAL 44 2HG2 VAL 44 12.863 -0.748 -16.076 368 H GLU 45 H GLU 45 9.790 -2.193 -12.595 369 HA GLU 45 HA GLU 45 7.860 -0.315 -13.732 370 HB2 GLU 45 1HB GLU 45 7.021 -2.282 -12.490 371 HB3 GLU 45 2HB GLU 45 7.851 -1.709 -11.050 372 HG2 GLU 45 1HG GLU 45 6.142 0.333 -12.167 373 HG3 GLU 45 2HG GLU 45 5.249 -1.145 -11.813 374 H VAL 46 H VAL 46 8.042 1.795 -13.411 375 HA VAL 46 HA VAL 46 9.732 2.738 -11.189 376 HB VAL 46 HB VAL 46 10.201 4.725 -12.456 377 HG11 VAL 46 1HG1 VAL 46 10.470 2.347 -14.290 378 HG12 VAL 46 2HG1 VAL 46 11.462 3.807 -14.293 379 HG13 VAL 46 3HG1 VAL 46 11.534 2.692 -12.928 380 HG21 VAL 46 3HG2 VAL 46 8.038 5.042 -13.513 381 HG22 VAL 46 1HG2 VAL 46 9.317 5.058 -14.728 382 HG23 VAL 46 2HG2 VAL 46 8.305 3.627 -14.531 383 H LYS 47 H LYS 47 9.079 4.609 -10.030 384 HA LYS 47 HA LYS 47 6.163 4.961 -9.984 385 HB2 LYS 47 1HB LYS 47 8.312 5.238 -7.910 386 HB3 LYS 47 2HB LYS 47 6.782 6.081 -7.706 387 HG2 LYS 47 1HG LYS 47 6.613 3.211 -8.368 388 HG3 LYS 47 2HG LYS 47 7.247 3.619 -6.772 389 HD2 LYS 47 1HD LYS 47 4.844 5.111 -7.566 390 HD3 LYS 47 2HD LYS 47 4.607 3.372 -7.370 391 HE2 LYS 47 1HE LYS 47 5.057 3.425 -5.130 392 HE3 LYS 47 2HE LYS 47 6.129 4.819 -5.268 393 HZ1 LYS 47 3HZ LYS 47 3.582 5.662 -5.997 394 HZ2 LYS 47 1HZ LYS 47 4.456 6.085 -4.611 395 HZ3 LYS 47 2HZ LYS 47 3.402 4.763 -4.576 396 H ALA 48 H ALA 48 5.259 7.058 -9.779 397 HA ALA 48 HA ALA 48 7.021 9.331 -10.289 398 HB1 ALA 48 1HB ALA 48 4.748 9.619 -11.990 399 HB2 ALA 48 2HB ALA 48 6.459 9.590 -12.418 400 HB3 ALA 48 3HB ALA 48 5.543 8.085 -12.343 401 H THR 49 H THR 49 5.996 11.396 -9.930 402 HA THR 49 HA THR 49 3.492 11.253 -8.392 403 HB THR 49 HB THR 49 5.893 12.911 -7.597 404 HG1 THR 49 HG1 THR 49 6.500 11.142 -6.621 405 HG21 THR 49 3HG2 THR 49 3.310 12.403 -6.121 406 HG22 THR 49 1HG2 THR 49 3.667 13.869 -7.032 407 HG23 THR 49 2HG2 THR 49 4.631 13.455 -5.615 408 H ALA 50 H ALA 50 2.024 12.470 -9.370 409 HA ALA 50 HA ALA 50 2.739 15.156 -10.252 410 HB1 ALA 50 1HB ALA 50 1.999 14.942 -12.454 411 HB2 ALA 50 2HB ALA 50 2.952 13.482 -12.184 412 HB3 ALA 50 3HB ALA 50 1.190 13.408 -12.133 413 H ASN 51 H ASN 51 1.013 16.603 -10.285 414 HA ASN 51 HA ASN 51 -0.918 17.502 -9.478 415 HB2 ASN 51 1HB ASN 51 -2.339 14.963 -10.213 416 HB3 ASN 51 2HB ASN 51 -2.885 16.629 -10.381 417 HD21 ASN 51 2HD2 ASN 51 -1.363 13.997 -11.879 418 HD22 ASN 51 1HD2 ASN 51 -0.961 14.771 -13.371 419 H GLY 52 H GLY 52 0.651 16.203 -7.537 420 HA2 GLY 52 1HA GLY 52 0.522 15.533 -5.345 421 HA3 GLY 52 2HA GLY 52 -1.160 16.042 -5.395 422 H LYS 53 H LYS 53 -0.024 13.613 -7.596 423 HA LYS 53 HA LYS 53 -1.304 11.530 -5.955 424 HB2 LYS 53 1HB LYS 53 -1.677 12.142 -8.875 425 HB3 LYS 53 2HB LYS 53 -1.980 10.530 -8.240 426 HG2 LYS 53 1HG LYS 53 -3.300 13.000 -7.149 427 HG3 LYS 53 2HG LYS 53 -3.988 12.021 -8.447 428 HD2 LYS 53 1HD LYS 53 -4.310 10.180 -7.050 429 HD3 LYS 53 2HD LYS 53 -3.164 10.775 -5.847 430 HE2 LYS 53 1HE LYS 53 -4.801 12.717 -5.526 431 HE3 LYS 53 2HE LYS 53 -5.957 11.724 -6.413 432 HZ1 LYS 53 3HZ LYS 53 -4.663 11.125 -3.818 433 HZ2 LYS 53 1HZ LYS 53 -5.464 9.944 -4.727 434 HZ3 LYS 53 2HZ LYS 53 -6.314 11.286 -4.147 435 H THR 54 H THR 54 -0.427 9.463 -6.079 436 HA THR 54 HA THR 54 2.241 9.340 -7.321 437 HB THR 54 HB THR 54 2.353 7.281 -5.623 438 HG1 THR 54 HG1 THR 54 0.374 7.468 -4.662 439 HG21 THR 54 3HG2 THR 54 4.049 8.775 -5.320 440 HG22 THR 54 1HG2 THR 54 3.101 9.159 -3.884 441 HG23 THR 54 2HG2 THR 54 2.970 10.169 -5.324 442 H TYR 55 H TYR 55 2.395 8.106 -9.064 443 HA TYR 55 HA TYR 55 0.928 5.582 -9.179 444 HB2 TYR 55 1HB TYR 55 0.005 5.982 -11.339 445 HB3 TYR 55 2HB TYR 55 -0.408 7.381 -10.353 446 HD1 TYR 55 HD2 TYR 55 1.024 9.476 -10.597 447 HD2 TYR 55 HD1 TYR 55 1.170 6.242 -13.358 448 HE1 TYR 55 HE2 TYR 55 2.035 10.963 -12.276 449 HE2 TYR 55 HE1 TYR 55 2.182 7.719 -15.044 450 HH TYR 55 HH TYR 55 3.345 10.864 -14.271 451 H GLU 56 H GLU 56 1.952 3.976 -10.323 452 HA GLU 56 HA GLU 56 4.632 4.653 -11.341 453 HB2 GLU 56 1HB GLU 56 5.087 2.172 -10.884 454 HB3 GLU 56 2HB GLU 56 4.960 3.243 -9.496 455 HG2 GLU 56 1HG GLU 56 3.786 1.221 -9.016 456 HG3 GLU 56 2HG GLU 56 2.611 2.521 -9.209 457 H ARG 57 H ARG 57 5.423 3.453 -13.165 458 HA ARG 57 HA ARG 57 3.375 2.121 -14.785 459 HB2 ARG 57 1HB ARG 57 4.344 3.374 -16.794 460 HB3 ARG 57 2HB ARG 57 3.288 4.278 -15.716 461 HG2 ARG 57 1HG ARG 57 5.294 5.210 -14.604 462 HG3 ARG 57 2HG ARG 57 6.294 4.384 -15.801 463 HD2 ARG 57 1HD ARG 57 4.090 6.190 -16.697 464 HD3 ARG 57 2HD ARG 57 5.617 6.880 -16.150 465 HE ARG 57 HE ARG 57 6.019 4.821 -18.076 466 HH11 ARG 57 1HH1 ARG 57 5.118 8.164 -17.710 467 HH12 ARG 57 2HH1 ARG 57 5.655 8.617 -19.293 468 HH21 ARG 57 1HH2 ARG 57 6.730 5.406 -20.163 469 HH22 ARG 57 2HH2 ARG 57 6.570 7.047 -20.688 470 H GLN 58 H GLN 58 4.245 0.787 -16.493 471 HA GLN 58 HA GLN 58 6.839 -0.330 -15.750 472 HB2 GLN 58 1HB GLN 58 4.609 -1.369 -17.500 473 HB3 GLN 58 2HB GLN 58 6.147 -2.196 -17.296 474 HG2 GLN 58 1HG GLN 58 5.730 -2.660 -15.041 475 HG3 GLN 58 2HG GLN 58 4.421 -1.482 -14.954 476 HE21 GLN 58 2HE2 GLN 58 5.373 -4.558 -16.378 477 HE22 GLN 58 1HE2 GLN 58 3.774 -5.197 -16.518 478 H GLY 59 H GLY 59 8.617 -0.170 -16.978 479 HA2 GLY 59 1HA GLY 59 8.343 0.619 -19.790 480 HA3 GLY 59 2HA GLY 59 9.300 1.644 -18.731 481 H PHE 60 H PHE 60 10.628 0.757 -20.809 482 HA PHE 60 HA PHE 60 12.087 -1.644 -19.943 483 HB2 PHE 60 1HB PHE 60 11.722 -0.342 -22.631 484 HB3 PHE 60 2HB PHE 60 13.030 -1.484 -22.342 485 HD1 PHE 60 HD1 PHE 60 12.287 -3.762 -21.262 486 HD2 PHE 60 HD2 PHE 60 9.710 -1.136 -23.403 487 HE1 PHE 60 HE1 PHE 60 10.751 -5.633 -21.702 488 HE2 PHE 60 HE2 PHE 60 8.170 -3.002 -23.845 489 HZ PHE 60 HZ PHE 60 8.689 -5.254 -22.994 490 H VAL 61 H VAL 61 14.287 -1.613 -19.651 491 HA VAL 61 HA VAL 61 15.683 0.944 -20.012 492 HB VAL 61 HB VAL 61 16.797 0.644 -17.806 493 HG11 VAL 61 1HG1 VAL 61 15.270 1.975 -16.833 494 HG12 VAL 61 2HG1 VAL 61 14.429 1.846 -18.379 495 HG13 VAL 61 3HG1 VAL 61 13.970 0.801 -17.034 496 HG21 VAL 61 3HG2 VAL 61 15.905 -0.867 -16.171 497 HG22 VAL 61 1HG2 VAL 61 14.624 -1.376 -17.271 498 HG23 VAL 61 2HG2 VAL 61 16.302 -1.792 -17.619 499 HA PRO 62 HA PRO 62 18.950 -1.518 -21.616 500 HB2 PRO 62 1HB PRO 62 21.085 0.054 -21.033 501 HB3 PRO 62 2HB PRO 62 19.919 0.449 -22.301 502 HG2 PRO 62 1HG PRO 62 20.097 1.490 -19.500 503 HG3 PRO 62 2HG PRO 62 19.774 2.373 -21.003 504 HD2 PRO 62 1HD PRO 62 17.808 1.655 -19.286 505 HD3 PRO 62 2HD PRO 62 17.555 1.752 -21.041 506 H ALA 63 H ALA 63 19.741 -3.332 -20.771 507 HA ALA 63 HA ALA 63 20.135 -3.763 -18.020 508 HB1 ALA 63 1HB ALA 63 21.223 -5.886 -18.742 509 HB2 ALA 63 2HB ALA 63 19.630 -5.613 -19.449 510 HB3 ALA 63 3HB ALA 63 21.081 -5.333 -20.411 511 H ALA 64 H ALA 64 22.090 -2.212 -20.307 512 HA ALA 64 HA ALA 64 24.636 -2.853 -19.137 513 HB1 ALA 64 1HB ALA 64 24.550 -2.305 -21.476 514 HB2 ALA 64 2HB ALA 64 23.830 -0.733 -21.123 515 HB3 ALA 64 3HB ALA 64 25.491 -1.073 -20.635 516 H TYR 65 H TYR 65 22.152 -0.515 -18.589 517 HA TYR 65 HA TYR 65 23.934 1.027 -16.828 518 HB2 TYR 65 1HB TYR 65 21.221 1.790 -17.928 519 HB3 TYR 65 2HB TYR 65 22.263 2.814 -16.946 520 HD1 TYR 65 HD1 TYR 65 24.850 1.809 -18.417 521 HD2 TYR 65 HD2 TYR 65 21.133 3.400 -19.742 522 HE1 TYR 65 HE1 TYR 65 25.944 2.651 -20.452 523 HE2 TYR 65 HE2 TYR 65 22.216 4.246 -21.782 524 HH TYR 65 HH TYR 65 25.669 4.193 -22.187 525 H VAL 66 H VAL 66 21.657 -1.388 -16.755 526 HA VAL 66 HA VAL 66 21.145 -0.903 -13.908 527 HB VAL 66 HB VAL 66 18.825 -1.603 -14.100 528 HG11 VAL 66 1HG1 VAL 66 19.252 0.576 -16.126 529 HG12 VAL 66 2HG1 VAL 66 17.931 0.393 -14.970 530 HG13 VAL 66 3HG1 VAL 66 19.547 0.816 -14.404 531 HG21 VAL 66 3HG2 VAL 66 19.666 -2.348 -16.775 532 HG22 VAL 66 1HG2 VAL 66 18.270 -2.883 -15.840 533 HG23 VAL 66 2HG2 VAL 66 18.181 -1.397 -16.785 534 H LYS 67 H LYS 67 21.372 -2.666 -12.661 535 HA LYS 67 HA LYS 67 21.472 -5.298 -13.976 536 HB2 LYS 67 1HB LYS 67 23.756 -4.684 -13.594 537 HB3 LYS 67 2HB LYS 67 23.402 -4.160 -11.953 538 HG2 LYS 67 1HG LYS 67 22.869 -6.493 -11.357 539 HG3 LYS 67 2HG LYS 67 23.329 -6.987 -12.988 540 HD2 LYS 67 1HD LYS 67 25.513 -6.901 -12.506 541 HD3 LYS 67 2HD LYS 67 25.354 -5.349 -11.681 542 HE2 LYS 67 1HE LYS 67 24.698 -8.052 -10.512 543 HE3 LYS 67 2HE LYS 67 26.140 -7.099 -10.163 544 HZ1 LYS 67 3HZ LYS 67 24.656 -6.689 -8.412 545 HZ2 LYS 67 1HZ LYS 67 23.333 -6.488 -9.448 546 HZ3 LYS 67 2HZ LYS 67 24.551 -5.316 -9.395 547 H LYS 68 H LYS 68 20.538 -6.969 -12.892 548 HA LYS 68 HA LYS 68 18.750 -6.314 -10.750 549 HB2 LYS 68 1HB LYS 68 18.010 -8.620 -10.914 550 HB3 LYS 68 2HB LYS 68 18.156 -7.927 -12.524 551 HG2 LYS 68 1HG LYS 68 20.352 -9.034 -12.761 552 HG3 LYS 68 2HG LYS 68 20.102 -9.796 -11.189 553 HD2 LYS 68 1HD LYS 68 19.380 -11.441 -12.647 554 HD3 LYS 68 2HD LYS 68 17.871 -10.622 -12.238 555 HE2 LYS 68 1HE LYS 68 17.726 -10.790 -14.539 556 HE3 LYS 68 2HE LYS 68 18.393 -9.172 -14.327 557 HZ1 LYS 68 3HZ LYS 68 19.824 -9.976 -15.873 558 HZ2 LYS 68 1HZ LYS 68 19.666 -11.585 -15.374 559 HZ3 LYS 68 2HZ LYS 68 20.636 -10.517 -14.491 560 H LEU 69 H LEU 69 18.830 -6.930 -8.621 561 HA LEU 69 HA LEU 69 21.466 -7.731 -7.644 562 HB2 LEU 69 1HB LEU 69 19.055 -6.596 -6.240 563 HB3 LEU 69 2HB LEU 69 20.541 -7.073 -5.421 564 HG LEU 69 HG LEU 69 20.658 -4.737 -5.635 565 HD11 LEU 69 1HD1 LEU 69 22.593 -6.274 -6.616 566 HD12 LEU 69 2HD1 LEU 69 22.690 -4.513 -6.618 567 HD13 LEU 69 3HD1 LEU 69 22.204 -5.372 -8.080 568 HD21 LEU 69 3HD2 LEU 69 18.820 -4.673 -7.387 569 HD22 LEU 69 1HD2 LEU 69 20.095 -4.909 -8.583 570 HD23 LEU 69 2HD2 LEU 69 20.110 -3.480 -7.548 571 H ASP 70 H ASP 70 19.523 -9.609 -8.869 572 HA ASP 70 HA ASP 70 18.674 -11.696 -8.539 573 HB2 ASP 70 1HB ASP 70 20.600 -11.815 -6.213 574 HB3 ASP 70 2HB ASP 70 19.963 -13.169 -7.141 Start of MODEL 20 1 H1 MET 1 H MET 1 6.337 0.029 -1.364 2 HA MET 1 HA MET 1 7.020 -0.960 1.324 3 HB2 MET 1 1HB MET 1 4.440 -0.009 0.119 4 HB3 MET 1 2HB MET 1 4.429 -1.091 1.505 5 HG2 MET 1 1HG MET 1 5.523 0.487 2.872 6 HG3 MET 1 2HG MET 1 5.945 1.498 1.492 7 HE1 MET 1 3HE MET 1 3.754 1.007 4.388 8 HE2 MET 1 1HE MET 1 2.138 1.558 3.946 9 HE3 MET 1 2HE MET 1 2.724 -0.004 3.374 10 H ASP 2 H ASP 2 4.902 -1.782 -1.429 11 HA ASP 2 HA ASP 2 5.394 -4.624 -0.833 12 HB2 ASP 2 1HB ASP 2 3.266 -4.978 -2.197 13 HB3 ASP 2 2HB ASP 2 3.072 -4.232 -0.613 14 H GLU 3 H GLU 3 7.141 -2.895 -2.393 15 HA GLU 3 HA GLU 3 6.986 -4.328 -4.961 16 HB2 GLU 3 1HB GLU 3 8.122 -2.261 -5.942 17 HB3 GLU 3 2HB GLU 3 6.413 -2.124 -5.551 18 HG2 GLU 3 1HG GLU 3 8.250 -1.342 -3.400 19 HG3 GLU 3 2HG GLU 3 8.297 -0.327 -4.840 20 H THR 4 H THR 4 8.363 -5.494 -3.004 21 HA THR 4 HA THR 4 11.036 -5.517 -4.020 22 HB THR 4 HB THR 4 11.833 -5.194 -1.462 23 HG1 THR 4 HG1 THR 4 10.686 -3.544 -0.507 24 HG21 THR 4 3HG2 THR 4 11.729 -2.583 -2.626 25 HG22 THR 4 1HG2 THR 4 12.032 -3.770 -3.893 26 HG23 THR 4 2HG2 THR 4 13.101 -3.682 -2.493 27 H GLY 5 H GLY 5 11.554 -7.600 -4.049 28 HA2 GLY 5 1HA GLY 5 11.989 -9.376 -2.146 29 HA3 GLY 5 2HA GLY 5 10.233 -9.427 -2.188 30 H LYS 6 H LYS 6 10.630 -8.793 -5.214 31 HA LYS 6 HA LYS 6 10.770 -11.609 -5.990 32 HB2 LYS 6 1HB LYS 6 10.089 -9.549 -8.004 33 HB3 LYS 6 2HB LYS 6 9.356 -11.120 -7.707 34 HG2 LYS 6 1HG LYS 6 7.640 -9.871 -6.974 35 HG3 LYS 6 2HG LYS 6 8.583 -9.828 -5.483 36 HD2 LYS 6 1HD LYS 6 9.647 -7.758 -6.952 37 HD3 LYS 6 2HD LYS 6 7.929 -7.684 -7.348 38 HE2 LYS 6 1HE LYS 6 9.053 -7.773 -4.550 39 HE3 LYS 6 2HE LYS 6 8.549 -6.304 -5.385 40 HZ1 LYS 6 3HZ LYS 6 6.755 -6.970 -4.031 41 HZ2 LYS 6 1HZ LYS 6 6.849 -8.580 -4.542 42 HZ3 LYS 6 2HZ LYS 6 6.314 -7.383 -5.611 43 H GLU 7 H GLU 7 11.960 -8.472 -7.207 44 HA GLU 7 HA GLU 7 14.615 -9.270 -7.515 45 HB2 GLU 7 1HB GLU 7 12.906 -10.301 -9.551 46 HB3 GLU 7 2HB GLU 7 13.937 -9.074 -10.274 47 HG2 GLU 7 1HG GLU 7 14.767 -11.575 -8.837 48 HG3 GLU 7 2HG GLU 7 15.053 -11.137 -10.520 49 H LEU 8 H LEU 8 15.325 -7.288 -7.010 50 HA LEU 8 HA LEU 8 14.278 -4.993 -8.521 51 HB2 LEU 8 1HB LEU 8 15.449 -5.311 -5.799 52 HB3 LEU 8 2HB LEU 8 15.624 -3.765 -6.626 53 HG LEU 8 HG LEU 8 13.678 -4.048 -4.985 54 HD11 LEU 8 1HD1 LEU 8 12.177 -3.068 -7.091 55 HD12 LEU 8 2HD1 LEU 8 13.844 -2.744 -7.566 56 HD13 LEU 8 3HD1 LEU 8 13.232 -2.136 -6.028 57 HD21 LEU 8 3HD2 LEU 8 12.979 -6.263 -5.839 58 HD22 LEU 8 1HD2 LEU 8 12.496 -5.496 -7.352 59 HD23 LEU 8 2HD2 LEU 8 11.675 -5.075 -5.849 60 H VAL 9 H VAL 9 15.621 -3.656 -9.657 61 HA VAL 9 HA VAL 9 18.433 -4.518 -9.877 62 HB VAL 9 HB VAL 9 18.444 -3.872 -12.180 63 HG11 VAL 9 1HG1 VAL 9 15.866 -5.215 -12.348 64 HG12 VAL 9 2HG1 VAL 9 17.461 -5.754 -12.876 65 HG13 VAL 9 3HG1 VAL 9 16.966 -5.974 -11.197 66 HG21 VAL 9 3HG2 VAL 9 16.091 -2.358 -11.411 67 HG22 VAL 9 1HG2 VAL 9 17.188 -2.128 -12.772 68 HG23 VAL 9 2HG2 VAL 9 15.844 -3.262 -12.905 69 H LEU 10 H LEU 10 20.028 -2.922 -10.142 70 HA LEU 10 HA LEU 10 19.210 -0.263 -9.191 71 HB2 LEU 10 1HB LEU 10 20.736 -1.383 -7.702 72 HB3 LEU 10 2HB LEU 10 21.854 -1.698 -9.027 73 HG LEU 10 HG LEU 10 21.785 0.986 -9.127 74 HD11 LEU 10 1HD1 LEU 10 20.621 0.276 -6.576 75 HD12 LEU 10 2HD1 LEU 10 20.758 1.851 -7.357 76 HD13 LEU 10 3HD1 LEU 10 22.091 1.231 -6.384 77 HD21 LEU 10 3HD2 LEU 10 23.942 0.894 -8.380 78 HD22 LEU 10 1HD2 LEU 10 23.666 -0.817 -8.711 79 HD23 LEU 10 2HD2 LEU 10 23.556 -0.210 -7.059 80 H ALA 11 H ALA 11 19.781 1.566 -10.283 81 HA ALA 11 HA ALA 11 20.539 1.238 -13.049 82 HB1 ALA 11 1HB ALA 11 20.277 3.781 -13.040 83 HB2 ALA 11 2HB ALA 11 18.836 2.811 -12.733 84 HB3 ALA 11 3HB ALA 11 19.679 3.587 -11.392 85 H LEU 12 H LEU 12 22.699 0.517 -12.882 86 HA LEU 12 HA LEU 12 24.759 1.638 -11.436 87 HB2 LEU 12 1HB LEU 12 25.001 0.590 -14.249 88 HB3 LEU 12 2HB LEU 12 26.272 0.667 -13.031 89 HG LEU 12 HG LEU 12 23.814 -1.069 -12.820 90 HD11 LEU 12 1HD1 LEU 12 26.516 -1.559 -13.986 91 HD12 LEU 12 2HD1 LEU 12 24.931 -2.072 -14.564 92 HD13 LEU 12 3HD1 LEU 12 25.663 -2.870 -13.172 93 HD21 LEU 12 3HD2 LEU 12 26.195 -1.779 -11.305 94 HD22 LEU 12 1HD2 LEU 12 24.516 -1.644 -10.782 95 HD23 LEU 12 2HD2 LEU 12 25.535 -0.206 -10.853 96 H TYR 13 H TYR 13 23.596 2.574 -14.656 97 HA TYR 13 HA TYR 13 25.049 5.117 -14.338 98 HB2 TYR 13 1HB TYR 13 24.597 3.554 -16.888 99 HB3 TYR 13 2HB TYR 13 25.300 5.165 -16.809 100 HD1 TYR 13 HD1 TYR 13 27.502 5.477 -15.635 101 HD2 TYR 13 HD2 TYR 13 25.912 1.627 -16.504 102 HE1 TYR 13 HE1 TYR 13 29.734 4.492 -15.324 103 HE2 TYR 13 HE2 TYR 13 28.140 0.631 -16.194 104 HH TYR 13 HH TYR 13 30.344 1.081 -15.980 105 H ASP 14 H ASP 14 24.034 6.985 -15.115 106 HA ASP 14 HA ASP 14 21.221 7.041 -14.842 107 HB2 ASP 14 1HB ASP 14 22.583 8.978 -14.277 108 HB3 ASP 14 2HB ASP 14 23.117 9.121 -15.950 109 H TYR 15 H TYR 15 19.686 7.845 -16.459 110 HA TYR 15 HA TYR 15 20.414 7.308 -19.239 111 HB2 TYR 15 1HB TYR 15 19.387 5.247 -18.009 112 HB3 TYR 15 2HB TYR 15 17.871 6.125 -18.171 113 HD1 TYR 15 HD2 TYR 15 20.799 5.471 -20.412 114 HD2 TYR 15 HD1 TYR 15 16.577 5.331 -19.899 115 HE1 TYR 15 HE2 TYR 15 20.554 4.614 -22.704 116 HE2 TYR 15 HE1 TYR 15 16.321 4.472 -22.189 117 HH TYR 15 HH TYR 15 17.376 4.132 -24.157 118 H GLN 16 H GLN 16 18.462 7.833 -20.699 119 HA GLN 16 HA GLN 16 16.736 9.912 -19.614 120 HB2 GLN 16 1HB GLN 16 19.089 10.445 -21.236 121 HB3 GLN 16 2HB GLN 16 17.623 11.054 -21.993 122 HG2 GLN 16 1HG GLN 16 17.722 11.686 -19.171 123 HG3 GLN 16 2HG GLN 16 19.123 12.307 -20.041 124 HE21 GLN 16 2HE2 GLN 16 15.720 12.535 -19.559 125 HE22 GLN 16 1HE2 GLN 16 15.458 13.941 -20.528 126 H GLU 17 H GLU 17 14.984 8.597 -20.083 127 HA GLU 17 HA GLU 17 14.519 7.193 -22.435 128 HB2 GLU 17 1HB GLU 17 12.159 7.210 -21.808 129 HB3 GLU 17 2HB GLU 17 13.174 6.907 -20.405 130 HG2 GLU 17 1HG GLU 17 11.648 8.405 -19.574 131 HG3 GLU 17 2HG GLU 17 12.981 9.464 -20.030 132 H LYS 18 H LYS 18 13.100 7.646 -24.219 133 HA LYS 18 HA LYS 18 12.796 10.507 -24.832 134 HB2 LYS 18 1HB LYS 18 13.783 10.331 -26.906 135 HB3 LYS 18 2HB LYS 18 14.765 9.202 -25.982 136 HG2 LYS 18 1HG LYS 18 12.469 8.492 -27.796 137 HG3 LYS 18 2HG LYS 18 14.187 8.266 -28.136 138 HD2 LYS 18 1HD LYS 18 12.616 6.939 -25.925 139 HD3 LYS 18 2HD LYS 18 13.161 6.174 -27.420 140 HE2 LYS 18 1HE LYS 18 14.937 7.343 -25.279 141 HE3 LYS 18 2HE LYS 18 14.628 5.627 -25.539 142 HZ1 LYS 18 3HZ LYS 18 15.937 7.462 -27.473 143 HZ2 LYS 18 1HZ LYS 18 15.633 5.817 -27.730 144 HZ3 LYS 18 2HZ LYS 18 16.721 6.298 -26.528 145 H SER 19 H SER 19 11.206 7.774 -24.237 146 HA SER 19 HA SER 19 8.951 8.560 -25.935 147 HB2 SER 19 1HB SER 19 10.454 6.094 -26.168 148 HB3 SER 19 2HB SER 19 8.769 5.768 -25.762 149 HG SER 19 HG SER 19 9.400 6.035 -28.086 150 HA PRO 20 HA PRO 20 6.482 8.046 -22.347 151 HB2 PRO 20 1HB PRO 20 4.169 7.059 -23.370 152 HB3 PRO 20 2HB PRO 20 4.685 8.733 -23.604 153 HG2 PRO 20 1HG PRO 20 4.926 6.400 -25.464 154 HG3 PRO 20 2HG PRO 20 4.447 8.070 -25.820 155 HD2 PRO 20 1HD PRO 20 6.938 7.132 -26.316 156 HD3 PRO 20 2HD PRO 20 6.627 8.819 -25.862 157 H ARG 21 H ARG 21 6.696 5.241 -24.480 158 HA ARG 21 HA ARG 21 5.752 3.386 -22.508 159 HB2 ARG 21 1HB ARG 21 5.538 3.019 -24.965 160 HB3 ARG 21 2HB ARG 21 7.284 2.826 -25.052 161 HG2 ARG 21 1HG ARG 21 6.463 1.061 -23.059 162 HG3 ARG 21 2HG ARG 21 5.258 0.912 -24.340 163 HD2 ARG 21 1HD ARG 21 7.579 0.959 -25.766 164 HD3 ARG 21 2HD ARG 21 8.082 0.122 -24.298 165 HE ARG 21 HE ARG 21 6.930 -1.699 -25.030 166 HH11 ARG 21 1HH1 ARG 21 5.618 1.127 -26.582 167 HH12 ARG 21 2HH1 ARG 21 4.518 0.231 -27.576 168 HH21 ARG 21 1HH2 ARG 21 5.486 -2.890 -26.333 169 HH22 ARG 21 2HH2 ARG 21 4.443 -2.054 -27.433 170 H GLU 22 H GLU 22 8.825 4.719 -23.416 171 HA GLU 22 HA GLU 22 10.335 2.708 -21.969 172 HB2 GLU 22 1HB GLU 22 11.132 3.845 -24.095 173 HB3 GLU 22 2HB GLU 22 11.376 5.291 -23.126 174 HG2 GLU 22 1HG GLU 22 13.192 4.447 -22.063 175 HG3 GLU 22 2HG GLU 22 12.614 2.784 -22.156 176 H VAL 23 H VAL 23 11.901 3.372 -20.290 177 HA VAL 23 HA VAL 23 10.875 5.592 -18.644 178 HB VAL 23 HB VAL 23 11.646 4.169 -16.655 179 HG11 VAL 23 1HG1 VAL 23 9.357 4.534 -16.807 180 HG12 VAL 23 2HG1 VAL 23 9.214 3.638 -18.321 181 HG13 VAL 23 3HG1 VAL 23 9.477 2.775 -16.805 182 HG21 VAL 23 3HG2 VAL 23 12.328 2.060 -16.941 183 HG22 VAL 23 1HG2 VAL 23 11.028 1.708 -18.080 184 HG23 VAL 23 2HG2 VAL 23 12.514 2.472 -18.646 185 H THR 24 H THR 24 12.533 6.126 -16.848 186 HA THR 24 HA THR 24 15.280 5.916 -17.861 187 HB THR 24 HB THR 24 14.059 8.151 -18.438 188 HG1 THR 24 HG1 THR 24 16.530 8.456 -17.094 189 HG21 THR 24 3HG2 THR 24 13.947 9.795 -16.783 190 HG22 THR 24 1HG2 THR 24 14.992 8.895 -15.684 191 HG23 THR 24 2HG2 THR 24 13.337 8.355 -15.969 192 H MET 25 H MET 25 16.915 6.509 -16.232 193 HA MET 25 HA MET 25 16.012 6.461 -13.462 194 HB2 MET 25 1HB MET 25 18.093 4.482 -14.366 195 HB3 MET 25 2HB MET 25 17.242 4.543 -12.828 196 HG2 MET 25 1HG MET 25 15.181 3.881 -13.903 197 HG3 MET 25 2HG MET 25 15.968 3.911 -15.480 198 HE1 MET 25 3HE MET 25 15.103 0.422 -15.168 199 HE2 MET 25 1HE MET 25 14.760 0.697 -13.460 200 HE3 MET 25 2HE MET 25 14.271 1.892 -14.661 201 H LYS 26 H LYS 26 18.039 6.545 -11.976 202 HA LYS 26 HA LYS 26 20.053 8.300 -13.220 203 HB2 LYS 26 1HB LYS 26 18.269 9.368 -11.654 204 HB3 LYS 26 2HB LYS 26 19.198 8.622 -10.360 205 HG2 LYS 26 1HG LYS 26 21.108 9.908 -10.851 206 HG3 LYS 26 2HG LYS 26 20.452 10.427 -12.406 207 HD2 LYS 26 1HD LYS 26 19.133 11.110 -9.790 208 HD3 LYS 26 2HD LYS 26 20.388 12.122 -10.509 209 HE2 LYS 26 1HE LYS 26 17.871 11.312 -11.951 210 HE3 LYS 26 2HE LYS 26 18.022 12.803 -11.023 211 HZ1 LYS 26 3HZ LYS 26 18.668 13.618 -13.000 212 HZ2 LYS 26 1HZ LYS 26 19.135 12.111 -13.612 213 HZ3 LYS 26 2HZ LYS 26 20.172 12.964 -12.583 214 H LYS 27 H LYS 27 22.108 8.411 -12.008 215 HA LYS 27 HA LYS 27 23.191 5.877 -11.560 216 HB2 LYS 27 1HB LYS 27 24.300 8.445 -10.429 217 HB3 LYS 27 2HB LYS 27 25.189 6.994 -10.872 218 HG2 LYS 27 1HG LYS 27 25.594 7.946 -12.829 219 HG3 LYS 27 2HG LYS 27 23.879 7.759 -13.203 220 HD2 LYS 27 1HD LYS 27 23.397 9.948 -12.729 221 HD3 LYS 27 2HD LYS 27 24.719 10.100 -11.569 222 HE2 LYS 27 1HE LYS 27 25.266 9.727 -14.492 223 HE3 LYS 27 2HE LYS 27 24.897 11.322 -13.839 224 HZ1 LYS 27 3HZ LYS 27 26.852 11.422 -12.721 225 HZ2 LYS 27 1HZ LYS 27 27.350 10.411 -13.983 226 HZ3 LYS 27 2HZ LYS 27 26.949 9.750 -12.479 227 H GLY 28 H GLY 28 22.298 4.595 -10.029 228 HA2 GLY 28 1HA GLY 28 22.612 3.904 -7.727 229 HA3 GLY 28 2HA GLY 28 22.440 5.587 -7.254 230 H ASP 29 H ASP 29 20.267 4.600 -9.674 231 HA ASP 29 HA ASP 29 18.049 4.841 -7.830 232 HB2 ASP 29 1HB ASP 29 18.125 5.859 -10.164 233 HB3 ASP 29 2HB ASP 29 17.887 4.226 -10.779 234 H ILE 30 H ILE 30 16.190 3.272 -8.063 235 HA ILE 30 HA ILE 30 17.026 0.533 -8.632 236 HB ILE 30 HB ILE 30 15.797 1.288 -5.979 237 HG12 ILE 30 1HG1 ILE 30 18.618 0.374 -6.584 238 HG13 ILE 30 2HG1 ILE 30 18.158 2.026 -6.187 239 HG21 ILE 30 1HG2 ILE 30 16.949 -1.271 -5.913 240 HG22 ILE 30 2HG2 ILE 30 15.236 -0.856 -5.865 241 HG23 ILE 30 3HG2 ILE 30 16.020 -1.186 -7.410 242 HD11 ILE 30 3HD1 ILE 30 19.054 1.009 -4.235 243 HD12 ILE 30 1HD1 ILE 30 17.315 1.186 -4.002 244 HD13 ILE 30 2HD1 ILE 30 17.995 -0.390 -4.409 245 H LEU 31 H LEU 31 15.470 -0.557 -9.645 246 HA LEU 31 HA LEU 31 12.676 0.272 -9.264 247 HB2 LEU 31 1HB LEU 31 14.082 -0.254 -11.874 248 HB3 LEU 31 2HB LEU 31 12.329 -0.172 -11.709 249 HG LEU 31 HG LEU 31 12.996 1.921 -12.552 250 HD11 LEU 31 1HD1 LEU 31 11.871 3.211 -11.105 251 HD12 LEU 31 2HD1 LEU 31 12.952 2.830 -9.765 252 HD13 LEU 31 3HD1 LEU 31 11.658 1.713 -10.199 253 HD21 LEU 31 3HD2 LEU 31 14.958 2.932 -12.164 254 HD22 LEU 31 1HD2 LEU 31 15.435 1.391 -11.453 255 HD23 LEU 31 2HD2 LEU 31 14.848 2.694 -10.420 256 H THR 32 H THR 32 11.116 -1.359 -9.562 257 HA THR 32 HA THR 32 12.048 -3.994 -8.891 258 HB THR 32 HB THR 32 9.218 -3.770 -9.616 259 HG1 THR 32 HG1 THR 32 9.930 -2.342 -7.301 260 HG21 THR 32 3HG2 THR 32 8.931 -5.132 -7.812 261 HG22 THR 32 1HG2 THR 32 10.152 -4.299 -6.851 262 HG23 THR 32 2HG2 THR 32 10.643 -5.443 -8.100 263 H LEU 33 H LEU 33 12.114 -5.790 -10.144 264 HA LEU 33 HA LEU 33 11.971 -5.415 -13.005 265 HB2 LEU 33 1HB LEU 33 13.790 -6.694 -11.937 266 HB3 LEU 33 2HB LEU 33 12.610 -7.889 -11.405 267 HG LEU 33 HG LEU 33 14.041 -8.425 -13.464 268 HD11 LEU 33 1HD1 LEU 33 11.372 -9.046 -12.752 269 HD12 LEU 33 2HD1 LEU 33 12.519 -10.020 -13.671 270 HD13 LEU 33 3HD1 LEU 33 11.442 -8.902 -14.509 271 HD21 LEU 33 3HD2 LEU 33 12.004 -7.009 -15.076 272 HD22 LEU 33 1HD2 LEU 33 13.690 -7.373 -15.440 273 HD23 LEU 33 2HD2 LEU 33 13.290 -6.028 -14.371 274 H LEU 34 H LEU 34 10.425 -6.130 -14.356 275 HA LEU 34 HA LEU 34 8.205 -7.670 -13.179 276 HB2 LEU 34 1HB LEU 34 8.267 -5.359 -15.047 277 HB3 LEU 34 2HB LEU 34 6.990 -6.556 -15.249 278 HG LEU 34 HG LEU 34 6.251 -4.634 -13.925 279 HD11 LEU 34 1HD1 LEU 34 6.284 -6.638 -11.810 280 HD12 LEU 34 2HD1 LEU 34 5.841 -7.292 -13.386 281 HD13 LEU 34 3HD1 LEU 34 4.927 -5.948 -12.700 282 HD21 LEU 34 3HD2 LEU 34 8.313 -5.512 -11.908 283 HD22 LEU 34 1HD2 LEU 34 7.164 -4.184 -11.739 284 HD23 LEU 34 2HD2 LEU 34 8.451 -4.089 -12.941 285 H ASN 35 H ASN 35 10.284 -7.217 -15.973 286 HA ASN 35 HA ASN 35 9.789 -9.965 -16.771 287 HB2 ASN 35 1HB ASN 35 8.452 -7.848 -18.071 288 HB3 ASN 35 2HB ASN 35 9.737 -8.360 -19.162 289 HD21 ASN 35 2HD2 ASN 35 8.405 -9.290 -20.656 290 HD22 ASN 35 1HD2 ASN 35 7.499 -10.730 -20.353 291 H SER 36 H SER 36 11.647 -10.897 -17.316 292 HA SER 36 HA SER 36 13.831 -9.204 -18.331 293 HB2 SER 36 1HB SER 36 15.431 -10.323 -16.955 294 HB3 SER 36 2HB SER 36 14.100 -9.858 -15.895 295 HG SER 36 HG SER 36 14.717 -12.414 -16.931 296 H THR 37 H THR 37 11.941 -10.825 -19.795 297 HA THR 37 HA THR 37 12.985 -13.327 -20.527 298 HB THR 37 HB THR 37 10.698 -12.675 -21.092 299 HG1 THR 37 HG1 THR 37 10.923 -14.070 -22.656 300 HG21 THR 37 3HG2 THR 37 11.785 -10.913 -23.268 301 HG22 THR 37 1HG2 THR 37 11.413 -10.272 -21.668 302 HG23 THR 37 2HG2 THR 37 10.139 -11.009 -22.641 303 H ASN 38 H ASN 38 13.912 -10.111 -21.388 304 HA ASN 38 HA ASN 38 15.635 -11.124 -23.542 305 HB2 ASN 38 1HB ASN 38 13.977 -9.042 -23.693 306 HB3 ASN 38 2HB ASN 38 15.368 -8.203 -23.012 307 HD21 ASN 38 2HD2 ASN 38 14.371 -10.318 -25.653 308 HD22 ASN 38 1HD2 ASN 38 15.522 -9.727 -26.798 309 H LYS 39 H LYS 39 17.777 -9.874 -23.708 310 HA LYS 39 HA LYS 39 18.972 -9.729 -21.018 311 HB2 LYS 39 1HB LYS 39 21.107 -10.376 -22.124 312 HB3 LYS 39 2HB LYS 39 19.860 -11.612 -22.230 313 HG2 LYS 39 1HG LYS 39 19.874 -9.771 -24.495 314 HG3 LYS 39 2HG LYS 39 21.369 -10.692 -24.311 315 HD2 LYS 39 1HD LYS 39 20.393 -12.550 -25.058 316 HD3 LYS 39 2HD LYS 39 19.063 -12.380 -23.911 317 HE2 LYS 39 1HE LYS 39 17.929 -10.854 -25.428 318 HE3 LYS 39 2HE LYS 39 19.276 -10.951 -26.560 319 HZ1 LYS 39 3HZ LYS 39 18.061 -13.477 -25.785 320 HZ2 LYS 39 1HZ LYS 39 18.633 -12.967 -27.294 321 HZ3 LYS 39 2HZ LYS 39 17.112 -12.463 -26.751 322 H ASP 40 H ASP 40 18.537 -8.147 -24.066 323 HA ASP 40 HA ASP 40 20.575 -6.161 -23.649 324 HB2 ASP 40 1HB ASP 40 18.277 -6.281 -25.613 325 HB3 ASP 40 2HB ASP 40 19.541 -5.055 -25.626 326 H TRP 41 H TRP 41 17.083 -6.371 -23.214 327 HA TRP 41 HA TRP 41 17.211 -3.953 -21.561 328 HB2 TRP 41 1HB TRP 41 15.022 -4.453 -23.587 329 HB3 TRP 41 2HB TRP 41 15.192 -3.047 -22.540 330 HD1 TRP 41 HD1 TRP 41 17.017 -4.730 -25.511 331 HE1 TRP 41 HE1 TRP 41 18.234 -2.892 -26.841 332 HE3 TRP 41 HE3 TRP 41 16.014 -0.736 -22.482 333 HZ2 TRP 41 HZ2 TRP 41 18.707 -0.117 -26.632 334 HZ3 TRP 41 HZ3 TRP 41 16.886 1.475 -23.118 335 HH2 TRP 41 HH2 TRP 41 18.204 1.776 -25.150 336 H TRP 42 H TRP 42 15.752 -3.886 -19.853 337 HA TRP 42 HA TRP 42 14.175 -6.339 -19.430 338 HB2 TRP 42 1HB TRP 42 15.684 -4.776 -17.323 339 HB3 TRP 42 2HB TRP 42 14.712 -6.219 -17.045 340 HD1 TRP 42 HD1 TRP 42 15.896 -7.827 -19.639 341 HE1 TRP 42 HE1 TRP 42 18.254 -8.838 -19.441 342 HE3 TRP 42 HE3 TRP 42 17.680 -4.979 -15.786 343 HZ2 TRP 42 HZ2 TRP 42 20.565 -8.478 -17.861 344 HZ3 TRP 42 HZ3 TRP 42 19.974 -5.376 -14.991 345 HH2 TRP 42 HH2 TRP 42 21.385 -7.090 -16.007 346 H LYS 43 H LYS 43 12.215 -6.125 -18.316 347 HA LYS 43 HA LYS 43 11.028 -3.476 -18.530 348 HB2 LYS 43 1HB LYS 43 9.816 -5.393 -19.459 349 HB3 LYS 43 2HB LYS 43 9.784 -6.154 -17.874 350 HG2 LYS 43 1HG LYS 43 7.688 -5.239 -17.977 351 HG3 LYS 43 2HG LYS 43 8.579 -3.955 -17.156 352 HD2 LYS 43 1HD LYS 43 7.937 -2.550 -18.755 353 HD3 LYS 43 2HD LYS 43 8.878 -3.491 -19.915 354 HE2 LYS 43 1HE LYS 43 5.984 -3.893 -19.171 355 HE3 LYS 43 2HE LYS 43 6.609 -3.288 -20.704 356 HZ1 LYS 43 3HZ LYS 43 6.773 -6.029 -19.612 357 HZ2 LYS 43 1HZ LYS 43 7.804 -5.508 -20.848 358 HZ3 LYS 43 2HZ LYS 43 6.130 -5.521 -21.092 359 H VAL 44 H VAL 44 10.994 -2.144 -16.855 360 HA VAL 44 HA VAL 44 10.845 -3.293 -14.143 361 HB VAL 44 HB VAL 44 12.089 -1.287 -13.348 362 HG11 VAL 44 1HG1 VAL 44 13.970 -2.453 -15.279 363 HG12 VAL 44 2HG1 VAL 44 14.036 -2.401 -13.517 364 HG13 VAL 44 3HG1 VAL 44 13.057 -3.624 -14.328 365 HG21 VAL 44 3HG2 VAL 44 13.436 -0.541 -15.707 366 HG22 VAL 44 1HG2 VAL 44 11.710 -0.478 -16.065 367 HG23 VAL 44 2HG2 VAL 44 12.365 0.445 -14.712 368 H GLU 45 H GLU 45 9.824 -1.906 -12.531 369 HA GLU 45 HA GLU 45 7.729 -0.221 -13.735 370 HB2 GLU 45 1HB GLU 45 6.892 -2.263 -12.635 371 HB3 GLU 45 2HB GLU 45 7.654 -1.760 -11.133 372 HG2 GLU 45 1HG GLU 45 6.158 -0.001 -10.820 373 HG3 GLU 45 2HG GLU 45 5.633 -0.028 -12.503 374 H VAL 46 H VAL 46 8.157 1.866 -13.479 375 HA VAL 46 HA VAL 46 9.616 2.762 -11.101 376 HB VAL 46 HB VAL 46 9.991 4.848 -12.271 377 HG11 VAL 46 1HG1 VAL 46 11.094 2.438 -12.939 378 HG12 VAL 46 2HG1 VAL 46 10.607 3.074 -14.512 379 HG13 VAL 46 3HG1 VAL 46 11.684 4.011 -13.475 380 HG21 VAL 46 3HG2 VAL 46 7.865 5.048 -13.425 381 HG22 VAL 46 1HG2 VAL 46 9.195 5.178 -14.576 382 HG23 VAL 46 2HG2 VAL 46 8.273 3.679 -14.459 383 H LYS 47 H LYS 47 8.922 4.992 -10.288 384 HA LYS 47 HA LYS 47 5.988 5.012 -10.019 385 HB2 LYS 47 1HB LYS 47 8.202 5.559 -8.087 386 HB3 LYS 47 2HB LYS 47 6.673 6.403 -7.879 387 HG2 LYS 47 1HG LYS 47 5.498 4.428 -7.481 388 HG3 LYS 47 2HG LYS 47 6.778 3.422 -8.165 389 HD2 LYS 47 1HD LYS 47 7.103 3.092 -5.909 390 HD3 LYS 47 2HD LYS 47 8.206 4.434 -6.221 391 HE2 LYS 47 1HE LYS 47 6.600 6.015 -5.380 392 HE3 LYS 47 2HE LYS 47 5.381 4.751 -5.217 393 HZ1 LYS 47 3HZ LYS 47 6.930 5.565 -3.217 394 HZ2 LYS 47 1HZ LYS 47 7.875 4.291 -3.805 395 HZ3 LYS 47 2HZ LYS 47 6.283 4.005 -3.312 396 H ALA 48 H ALA 48 4.889 6.986 -10.062 397 HA ALA 48 HA ALA 48 6.447 9.333 -10.902 398 HB1 ALA 48 1HB ALA 48 5.668 8.624 -12.971 399 HB2 ALA 48 2HB ALA 48 4.122 8.085 -12.316 400 HB3 ALA 48 3HB ALA 48 4.459 9.809 -12.476 401 H THR 49 H THR 49 5.348 11.373 -10.591 402 HA THR 49 HA THR 49 3.071 11.286 -8.741 403 HB THR 49 HB THR 49 5.446 13.086 -8.259 404 HG1 THR 49 HG1 THR 49 6.261 11.581 -6.946 405 HG21 THR 49 3HG2 THR 49 2.791 12.916 -7.187 406 HG22 THR 49 1HG2 THR 49 4.065 14.078 -6.819 407 HG23 THR 49 2HG2 THR 49 3.966 12.565 -5.920 408 H ALA 50 H ALA 50 1.499 12.493 -9.553 409 HA ALA 50 HA ALA 50 2.032 15.157 -10.535 410 HB1 ALA 50 1HB ALA 50 1.811 14.840 -12.729 411 HB2 ALA 50 2HB ALA 50 2.037 13.121 -12.404 412 HB3 ALA 50 3HB ALA 50 0.410 13.791 -12.515 413 H ASN 51 H ASN 51 0.130 16.438 -10.747 414 HA ASN 51 HA ASN 51 -1.883 17.196 -10.005 415 HB2 ASN 51 1HB ASN 51 -2.986 14.425 -10.375 416 HB3 ASN 51 2HB ASN 51 -3.765 15.975 -10.679 417 HD21 ASN 51 2HD2 ASN 51 -2.203 13.375 -12.053 418 HD22 ASN 51 1HD2 ASN 51 -1.879 14.052 -13.610 419 H GLY 52 H GLY 52 -0.048 16.116 -8.035 420 HA2 GLY 52 1HA GLY 52 -0.050 15.791 -5.759 421 HA3 GLY 52 2HA GLY 52 -1.779 16.107 -5.787 422 H LYS 53 H LYS 53 -0.632 13.591 -7.824 423 HA LYS 53 HA LYS 53 -1.398 11.564 -5.835 424 HB2 LYS 53 1HB LYS 53 -3.175 12.146 -7.635 425 HB3 LYS 53 2HB LYS 53 -2.121 11.267 -8.735 426 HG2 LYS 53 1HG LYS 53 -3.751 9.732 -8.003 427 HG3 LYS 53 2HG LYS 53 -2.267 9.323 -7.139 428 HD2 LYS 53 1HD LYS 53 -3.797 9.263 -5.425 429 HD3 LYS 53 2HD LYS 53 -3.251 10.939 -5.321 430 HE2 LYS 53 1HE LYS 53 -5.191 11.601 -6.718 431 HE3 LYS 53 2HE LYS 53 -5.754 9.931 -6.670 432 HZ1 LYS 53 3HZ LYS 53 -6.904 10.732 -4.916 433 HZ2 LYS 53 1HZ LYS 53 -5.795 11.966 -4.586 434 HZ3 LYS 53 2HZ LYS 53 -5.473 10.383 -4.086 435 H THR 54 H THR 54 -0.536 9.431 -6.243 436 HA THR 54 HA THR 54 1.948 9.514 -7.830 437 HB THR 54 HB THR 54 2.481 7.499 -6.159 438 HG1 THR 54 HG1 THR 54 1.199 7.484 -4.485 439 HG21 THR 54 3HG2 THR 54 3.538 9.896 -6.550 440 HG22 THR 54 1HG2 THR 54 3.994 8.904 -5.166 441 HG23 THR 54 2HG2 THR 54 2.820 10.207 -4.970 442 H TYR 55 H TYR 55 2.120 8.116 -9.455 443 HA TYR 55 HA TYR 55 0.547 5.640 -9.389 444 HB2 TYR 55 1HB TYR 55 -0.239 5.931 -11.632 445 HB3 TYR 55 2HB TYR 55 -0.637 7.397 -10.744 446 HD1 TYR 55 HD1 TYR 55 1.513 5.944 -13.343 447 HD2 TYR 55 HD2 TYR 55 0.414 9.502 -11.285 448 HE1 TYR 55 HE1 TYR 55 2.670 7.282 -15.052 449 HE2 TYR 55 HE2 TYR 55 1.567 10.850 -12.989 450 HH TYR 55 HH TYR 55 2.191 10.414 -15.569 451 H GLU 56 H GLU 56 1.600 3.880 -10.123 452 HA GLU 56 HA GLU 56 4.382 4.224 -10.912 453 HB2 GLU 56 1HB GLU 56 2.939 1.616 -10.460 454 HB3 GLU 56 2HB GLU 56 4.671 1.915 -10.412 455 HG2 GLU 56 1HG GLU 56 4.260 1.843 -8.189 456 HG3 GLU 56 2HG GLU 56 3.965 3.558 -8.466 457 H ARG 57 H ARG 57 5.253 3.576 -12.839 458 HA ARG 57 HA ARG 57 3.388 2.565 -14.879 459 HB2 ARG 57 1HB ARG 57 4.603 3.994 -16.540 460 HB3 ARG 57 2HB ARG 57 3.662 4.895 -15.358 461 HG2 ARG 57 1HG ARG 57 5.837 5.129 -14.052 462 HG3 ARG 57 2HG ARG 57 6.638 4.575 -15.523 463 HD2 ARG 57 1HD ARG 57 4.726 6.897 -15.477 464 HD3 ARG 57 2HD ARG 57 6.459 7.082 -15.213 465 HE ARG 57 HE ARG 57 6.032 5.645 -17.591 466 HH11 ARG 57 1HH1 ARG 57 5.659 8.848 -16.279 467 HH12 ARG 57 2HH1 ARG 57 5.847 9.638 -17.810 468 HH21 ARG 57 1HH2 ARG 57 6.281 6.673 -19.612 469 HH22 ARG 57 2HH2 ARG 57 6.200 8.400 -19.705 470 H GLN 58 H GLN 58 4.215 1.114 -16.357 471 HA GLN 58 HA GLN 58 6.795 -0.056 -15.623 472 HB2 GLN 58 1HB GLN 58 4.438 -1.093 -17.188 473 HB3 GLN 58 2HB GLN 58 5.982 -1.934 -17.155 474 HG2 GLN 58 1HG GLN 58 5.820 -2.338 -14.832 475 HG3 GLN 58 2HG GLN 58 4.462 -1.227 -14.665 476 HE21 GLN 58 2HE2 GLN 58 5.326 -4.068 -16.614 477 HE22 GLN 58 1HE2 GLN 58 3.810 -4.873 -16.421 478 H GLY 59 H GLY 59 8.500 -0.214 -17.005 479 HA2 GLY 59 1HA GLY 59 8.166 0.546 -19.802 480 HA3 GLY 59 2HA GLY 59 9.184 1.594 -18.825 481 H PHE 60 H PHE 60 10.603 0.767 -20.723 482 HA PHE 60 HA PHE 60 11.986 -1.679 -19.833 483 HB2 PHE 60 1HB PHE 60 11.903 -0.533 -22.632 484 HB3 PHE 60 2HB PHE 60 12.688 -2.030 -22.140 485 HD1 PHE 60 HD1 PHE 60 9.448 -0.368 -22.655 486 HD2 PHE 60 HD2 PHE 60 11.447 -4.036 -21.839 487 HE1 PHE 60 HE1 PHE 60 7.364 -1.598 -23.098 488 HE2 PHE 60 HE2 PHE 60 9.366 -5.273 -22.282 489 HZ PHE 60 HZ PHE 60 7.321 -4.054 -22.913 490 H VAL 61 H VAL 61 14.153 -1.607 -19.495 491 HA VAL 61 HA VAL 61 15.548 0.915 -20.096 492 HB VAL 61 HB VAL 61 16.778 0.692 -17.953 493 HG11 VAL 61 1HG1 VAL 61 13.954 0.794 -17.093 494 HG12 VAL 61 2HG1 VAL 61 15.260 1.955 -16.848 495 HG13 VAL 61 3HG1 VAL 61 14.418 1.887 -18.397 496 HG21 VAL 61 3HG2 VAL 61 14.674 -1.278 -17.107 497 HG22 VAL 61 1HG2 VAL 61 16.225 -1.795 -17.770 498 HG23 VAL 61 2HG2 VAL 61 16.174 -0.844 -16.286 499 HA PRO 62 HA PRO 62 18.749 -1.559 -21.805 500 HB2 PRO 62 1HB PRO 62 20.916 -0.001 -21.312 501 HB3 PRO 62 2HB PRO 62 19.702 0.400 -22.533 502 HG2 PRO 62 1HG PRO 62 20.000 1.445 -19.743 503 HG3 PRO 62 2HG PRO 62 19.623 2.328 -21.234 504 HD2 PRO 62 1HD PRO 62 17.723 1.625 -19.437 505 HD3 PRO 62 2HD PRO 62 17.400 1.721 -21.180 506 H ALA 63 H ALA 63 19.497 -3.390 -20.956 507 HA ALA 63 HA ALA 63 20.048 -3.777 -18.222 508 HB1 ALA 63 1HB ALA 63 19.381 -5.647 -19.535 509 HB2 ALA 63 2HB ALA 63 20.737 -5.431 -20.643 510 HB3 ALA 63 3HB ALA 63 21.028 -5.955 -18.984 511 H ALA 64 H ALA 64 21.903 -2.351 -20.665 512 HA ALA 64 HA ALA 64 24.496 -3.073 -19.660 513 HB1 ALA 64 1HB ALA 64 23.743 -0.845 -21.548 514 HB2 ALA 64 2HB ALA 64 25.360 -1.498 -21.280 515 HB3 ALA 64 3HB ALA 64 24.116 -2.501 -22.026 516 H TYR 65 H TYR 65 22.133 -0.685 -18.921 517 HA TYR 65 HA TYR 65 24.089 0.900 -17.409 518 HB2 TYR 65 1HB TYR 65 21.262 1.517 -18.280 519 HB3 TYR 65 2HB TYR 65 22.206 2.559 -17.222 520 HD1 TYR 65 HD2 TYR 65 22.567 0.837 -20.525 521 HD2 TYR 65 HD1 TYR 65 23.308 4.327 -18.206 522 HE1 TYR 65 HE2 TYR 65 23.556 1.929 -22.494 523 HE2 TYR 65 HE1 TYR 65 24.298 5.429 -20.169 524 HH TYR 65 HH TYR 65 24.007 5.119 -22.795 525 H VAL 66 H VAL 66 21.403 -1.251 -17.082 526 HA VAL 66 HA VAL 66 21.379 -0.793 -14.170 527 HB VAL 66 HB VAL 66 19.134 -1.599 -14.076 528 HG11 VAL 66 1HG1 VAL 66 19.530 0.341 -16.346 529 HG12 VAL 66 2HG1 VAL 66 17.964 -0.001 -15.607 530 HG13 VAL 66 3HG1 VAL 66 19.257 0.716 -14.644 531 HG21 VAL 66 3HG2 VAL 66 19.452 -2.261 -17.001 532 HG22 VAL 66 1HG2 VAL 66 19.240 -3.397 -15.668 533 HG23 VAL 66 2HG2 VAL 66 17.923 -2.316 -16.124 534 H LYS 67 H LYS 67 21.182 -2.649 -12.800 535 HA LYS 67 HA LYS 67 21.719 -5.253 -13.994 536 HB2 LYS 67 1HB LYS 67 23.954 -4.502 -13.688 537 HB3 LYS 67 2HB LYS 67 23.589 -3.834 -12.102 538 HG2 LYS 67 1HG LYS 67 23.551 -5.925 -11.091 539 HG3 LYS 67 2HG LYS 67 23.324 -6.769 -12.625 540 HD2 LYS 67 1HD LYS 67 25.562 -7.173 -12.051 541 HD3 LYS 67 2HD LYS 67 25.638 -5.881 -13.252 542 HE2 LYS 67 1HE LYS 67 27.095 -5.150 -11.597 543 HE3 LYS 67 2HE LYS 67 25.601 -4.295 -11.219 544 HZ1 LYS 67 3HZ LYS 67 26.335 -6.863 -9.939 545 HZ2 LYS 67 1HZ LYS 67 25.143 -5.763 -9.457 546 HZ3 LYS 67 2HZ LYS 67 26.779 -5.365 -9.293 547 H LYS 68 H LYS 68 20.646 -6.814 -12.965 548 HA LYS 68 HA LYS 68 18.961 -6.218 -10.762 549 HB2 LYS 68 1HB LYS 68 18.366 -8.595 -10.829 550 HB3 LYS 68 2HB LYS 68 18.352 -7.888 -12.440 551 HG2 LYS 68 1HG LYS 68 20.848 -8.808 -12.433 552 HG3 LYS 68 2HG LYS 68 20.138 -9.942 -11.281 553 HD2 LYS 68 1HD LYS 68 18.908 -9.367 -13.968 554 HD3 LYS 68 2HD LYS 68 20.107 -10.639 -13.721 555 HE2 LYS 68 1HE LYS 68 17.659 -10.494 -12.002 556 HE3 LYS 68 2HE LYS 68 17.585 -11.228 -13.603 557 HZ1 LYS 68 3HZ LYS 68 19.312 -12.771 -12.951 558 HZ2 LYS 68 1HZ LYS 68 18.014 -12.866 -11.870 559 HZ3 LYS 68 2HZ LYS 68 19.428 -12.052 -11.425 560 H LEU 69 H LEU 69 19.043 -6.936 -8.628 561 HA LEU 69 HA LEU 69 21.743 -7.606 -7.685 562 HB2 LEU 69 1HB LEU 69 19.384 -6.393 -6.257 563 HB3 LEU 69 2HB LEU 69 20.900 -6.831 -5.473 564 HG LEU 69 HG LEU 69 21.019 -4.512 -5.801 565 HD11 LEU 69 1HD1 LEU 69 23.023 -4.390 -6.815 566 HD12 LEU 69 2HD1 LEU 69 22.445 -5.159 -8.292 567 HD13 LEU 69 3HD1 LEU 69 22.868 -6.145 -6.893 568 HD21 LEU 69 3HD2 LEU 69 20.377 -3.339 -7.739 569 HD22 LEU 69 1HD2 LEU 69 19.094 -4.515 -7.456 570 HD23 LEU 69 2HD2 LEU 69 20.303 -4.812 -8.706 571 H ASP 70 H ASP 70 20.518 -9.749 -8.726 572 HA ASP 70 HA ASP 70 18.869 -11.221 -6.975 573 HB2 ASP 70 1HB ASP 70 19.079 -11.770 -9.356 574 HB3 ASP 70 2HB ASP 70 20.766 -12.216 -9.113
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