NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653391 | 6z5n | 50167 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 8.235 -4.091 0.279 2 H2 MET 1 2H MET 1 6.776 -3.661 -0.312 3 H3 MET 1 3H MET 1 8.134 -3.001 -0.932 4 HA MET 1 HA MET 1 7.112 -2.632 1.768 5 HB2 MET 1 HB2 MET 1 9.592 -1.566 0.373 6 HB3 MET 1 HB3 MET 1 8.954 -0.885 1.862 7 HG2 MET 1 HG2 MET 1 9.318 -2.996 3.029 8 HG3 MET 1 HG3 MET 1 9.858 -3.760 1.531 9 HE1 MET 1 HE1 MET 1 12.163 -0.512 3.876 10 HE2 MET 1 HE2 MET 1 10.592 -0.183 3.106 11 HE3 MET 1 HE3 MET 1 10.699 -1.343 4.454 12 H GLY 2 H GLY 2 8.494 -0.223 -0.365 13 HA2 GLY 2 HA2 GLY 2 5.779 1.023 -0.599 14 HA3 GLY 2 HA3 GLY 2 7.285 1.922 -0.550 15 H LYS 3 H LYS 3 4.976 1.519 -2.571 16 HA LYS 3 HA LYS 3 6.487 0.503 -4.904 17 HB2 LYS 3 HB2 LYS 3 3.598 1.418 -4.618 18 HB3 LYS 3 HB3 LYS 3 4.309 0.800 -6.103 19 HG2 LYS 3 HG2 LYS 3 4.017 -0.745 -3.509 20 HG3 LYS 3 HG3 LYS 3 2.993 -0.907 -4.943 21 HD2 LYS 3 HD2 LYS 3 5.011 -1.573 -6.262 22 HD3 LYS 3 HD3 LYS 3 5.971 -1.500 -4.778 23 HE2 LYS 3 HE2 LYS 3 4.461 -3.210 -3.758 24 HE3 LYS 3 HE3 LYS 3 3.595 -3.325 -5.292 25 HZ1 LYS 3 HZ1 LYS 3 5.243 -5.036 -5.079 26 HZ2 LYS 3 HZ2 LYS 3 5.641 -4.033 -6.328 27 HZ3 LYS 3 HZ3 LYS 3 6.450 -3.927 -4.895 28 H ASP 4 H ASP 4 7.603 2.793 -3.849 29 HA ASP 4 HA ASP 4 6.610 5.224 -4.939 30 HB2 ASP 4 HB2 ASP 4 8.329 5.077 -3.138 31 HB3 ASP 4 HB3 ASP 4 9.492 4.470 -4.308 32 H TYR 5 H TYR 5 6.325 5.755 -6.976 33 HA TYR 5 HA TYR 5 7.155 4.181 -9.149 34 HB2 TYR 5 HB2 TYR 5 6.400 7.129 -9.068 35 HB3 TYR 5 HB3 TYR 5 6.590 6.204 -10.550 36 HD1 TYR 5 HD1 TYR 5 5.360 3.916 -8.257 37 HD2 TYR 5 HD2 TYR 5 4.132 7.347 -10.523 38 HE1 TYR 5 HE1 TYR 5 3.007 3.178 -8.099 39 HE2 TYR 5 HE2 TYR 5 1.779 6.608 -10.365 40 HH TYR 5 HH TYR 5 0.903 3.605 -8.671 41 H TYR 6 H TYR 6 8.732 6.990 -7.675 42 HA TYR 6 HA TYR 6 10.663 7.306 -9.796 43 HB2 TYR 6 HB2 TYR 6 10.725 8.279 -6.910 44 HB3 TYR 6 HB3 TYR 6 11.821 8.806 -8.179 45 HD1 TYR 6 HD1 TYR 6 8.602 9.258 -6.638 46 HD2 TYR 6 HD2 TYR 6 10.879 10.018 -10.193 47 HE1 TYR 6 HE1 TYR 6 7.008 11.034 -7.280 48 HE2 TYR 6 HE2 TYR 6 9.285 11.795 -10.835 49 HH TYR 6 HH TYR 6 6.305 12.309 -9.089 50 H GLN 7 H GLN 7 10.572 5.470 -6.793 51 HA GLN 7 HA GLN 7 13.374 4.697 -6.951 52 HB2 GLN 7 HB2 GLN 7 11.034 3.611 -5.337 53 HB3 GLN 7 HB3 GLN 7 12.677 3.003 -5.198 54 HG2 GLN 7 HG2 GLN 7 13.443 5.244 -4.510 55 HG3 GLN 7 HG3 GLN 7 11.756 5.822 -4.603 56 HE21 GLN 7 HE21 GLN 7 11.187 4.998 -1.292 57 HE22 GLN 7 HE22 GLN 7 10.989 6.097 -2.617 58 H THR 8 H THR 8 10.371 3.559 -8.286 59 HA THR 8 HA THR 8 11.542 1.000 -9.138 60 HB THR 8 HB THR 8 9.389 0.664 -10.319 61 HG1 THR 8 HG1 THR 8 9.290 3.300 -10.246 62 HG21 THR 8 HG21 THR 8 7.922 0.663 -8.340 63 HG22 THR 8 HG22 THR 8 9.553 0.088 -7.923 64 HG23 THR 8 HG23 THR 8 9.054 1.741 -7.493 65 H LEU 9 H LEU 9 11.027 4.231 -10.425 66 HA LEU 9 HA LEU 9 12.030 3.554 -13.068 67 HB2 LEU 9 HB2 LEU 9 11.812 6.175 -11.549 68 HB3 LEU 9 HB3 LEU 9 12.412 6.055 -13.206 69 HG LEU 9 HG LEU 9 9.636 5.172 -12.346 70 HD11 LEU 9 HD11 LEU 9 8.870 7.275 -13.356 71 HD12 LEU 9 HD12 LEU 9 9.934 7.565 -11.960 72 HD13 LEU 9 HD13 LEU 9 10.560 7.767 -13.613 73 HD21 LEU 9 HD21 LEU 9 9.218 5.238 -14.781 74 HD22 LEU 9 HD22 LEU 9 10.914 5.702 -15.060 75 HD23 LEU 9 HD23 LEU 9 10.529 4.100 -14.388 76 H GLY 10 H GLY 10 13.428 4.541 -9.982 77 HA2 GLY 10 HA2 GLY 10 15.639 3.998 -9.301 78 HA3 GLY 10 HA3 GLY 10 16.081 3.695 -10.970 79 H LEU 11 H LEU 11 14.543 6.536 -9.426 80 HA LEU 11 HA LEU 11 16.981 8.124 -9.673 81 HB2 LEU 11 HB2 LEU 11 15.800 9.858 -11.120 82 HB3 LEU 11 HB3 LEU 11 16.353 8.393 -11.936 83 HG LEU 11 HG LEU 11 14.089 7.522 -12.027 84 HD11 LEU 11 HD11 LEU 11 12.193 8.811 -11.152 85 HD12 LEU 11 HD12 LEU 11 13.319 8.337 -9.859 86 HD13 LEU 11 HD13 LEU 11 13.320 10.007 -10.472 87 HD21 LEU 11 HD21 LEU 11 13.069 9.257 -13.461 88 HD22 LEU 11 HD22 LEU 11 14.209 10.462 -12.814 89 HD23 LEU 11 HD23 LEU 11 14.812 9.099 -13.788 90 H ALA 12 H ALA 12 16.246 10.595 -9.331 91 HA ALA 12 HA ALA 12 15.190 10.457 -6.626 92 HB1 ALA 12 HB1 ALA 12 15.741 12.867 -6.548 93 HB2 ALA 12 HB2 ALA 12 17.104 11.897 -7.157 94 HB3 ALA 12 HB3 ALA 12 16.100 12.833 -8.289 95 H ARG 13 H ARG 13 13.423 11.543 -5.760 96 HA ARG 13 HA ARG 13 11.059 11.440 -7.347 97 HB2 ARG 13 HB2 ARG 13 11.631 12.774 -4.683 98 HB3 ARG 13 HB3 ARG 13 10.027 12.688 -5.398 99 HG2 ARG 13 HG2 ARG 13 10.072 10.254 -5.297 100 HG3 ARG 13 HG3 ARG 13 11.733 10.297 -4.658 101 HD2 ARG 13 HD2 ARG 13 10.977 11.465 -2.696 102 HD3 ARG 13 HD3 ARG 13 9.322 11.527 -3.344 103 HE ARG 13 HE ARG 13 9.947 8.854 -3.347 104 HH11 ARG 13 HH11 ARG 13 9.939 11.391 -0.918 105 HH12 ARG 13 HH12 ARG 13 9.578 10.300 0.401 106 HH21 ARG 13 HH21 ARG 13 9.477 7.447 -1.627 107 HH22 ARG 13 HH22 ARG 13 9.316 8.068 0.001 108 H GLY 14 H GLY 14 13.499 13.812 -7.131 109 HA2 GLY 14 HA2 GLY 14 11.643 15.974 -8.040 110 HA3 GLY 14 HA3 GLY 14 13.212 16.235 -7.301 111 H ALA 15 H ALA 15 12.931 13.654 -9.608 112 HA ALA 15 HA ALA 15 14.897 14.879 -11.332 113 HB1 ALA 15 HB1 ALA 15 14.584 12.861 -12.728 114 HB2 ALA 15 HB2 ALA 15 14.801 12.448 -11.010 115 HB3 ALA 15 HB3 ALA 15 13.179 12.404 -11.737 116 H SER 16 H SER 16 14.459 14.695 -13.821 117 HA SER 16 HA SER 16 12.164 16.531 -14.267 118 HB2 SER 16 HB2 SER 16 13.333 17.264 -16.241 119 HB3 SER 16 HB3 SER 16 14.463 17.268 -14.896 120 HG SER 16 HG SER 16 15.549 15.747 -15.768 121 H ASP 17 H ASP 17 10.993 16.377 -16.320 122 HA ASP 17 HA ASP 17 9.809 13.861 -16.727 123 HB2 ASP 17 HB2 ASP 17 10.025 16.283 -18.550 124 HB3 ASP 17 HB3 ASP 17 9.078 14.863 -18.972 125 H GLU 18 H GLU 18 12.524 15.387 -18.444 126 HA GLU 18 HA GLU 18 12.826 13.358 -20.429 127 HB2 GLU 18 HB2 GLU 18 13.891 15.578 -20.602 128 HB3 GLU 18 HB3 GLU 18 14.900 15.223 -19.207 129 HG2 GLU 18 HG2 GLU 18 15.990 13.403 -20.443 130 HG3 GLU 18 HG3 GLU 18 14.965 13.731 -21.839 131 H GLU 19 H GLU 19 14.366 13.795 -17.238 132 HA GLU 19 HA GLU 19 16.004 11.459 -17.396 133 HB2 GLU 19 HB2 GLU 19 14.903 13.030 -15.038 134 HB3 GLU 19 HB3 GLU 19 15.986 11.659 -14.841 135 HG2 GLU 19 HG2 GLU 19 17.746 12.788 -16.034 136 HG3 GLU 19 HG3 GLU 19 16.666 14.106 -16.484 137 H ILE 20 H ILE 20 12.687 11.990 -16.263 138 HA ILE 20 HA ILE 20 12.228 9.373 -15.242 139 HB ILE 20 HB ILE 20 10.375 11.458 -16.448 140 HG12 ILE 20 HG12 ILE 20 10.616 10.460 -13.605 141 HG13 ILE 20 HG13 ILE 20 11.510 11.839 -14.225 142 HG21 ILE 20 HG21 ILE 20 8.500 10.089 -15.629 143 HG22 ILE 20 HG22 ILE 20 9.420 9.226 -16.883 144 HG23 ILE 20 HG23 ILE 20 9.636 8.799 -15.170 145 HD11 ILE 20 HD11 ILE 20 9.509 12.551 -13.041 146 HD12 ILE 20 HD12 ILE 20 9.401 12.979 -14.766 147 HD13 ILE 20 HD13 ILE 20 8.496 11.582 -14.136 148 H LYS 21 H LYS 21 11.998 10.716 -18.519 149 HA LYS 21 HA LYS 21 10.905 8.334 -19.707 150 HB2 LYS 21 HB2 LYS 21 12.428 10.698 -20.860 151 HB3 LYS 21 HB3 LYS 21 11.814 9.385 -21.855 152 HG2 LYS 21 HG2 LYS 21 9.520 9.889 -21.153 153 HG3 LYS 21 HG3 LYS 21 10.114 11.175 -20.094 154 HD2 LYS 21 HD2 LYS 21 11.060 12.351 -22.060 155 HD3 LYS 21 HD3 LYS 21 10.445 11.070 -23.116 156 HE2 LYS 21 HE2 LYS 21 8.137 11.588 -22.421 157 HE3 LYS 21 HE3 LYS 21 8.735 12.843 -21.332 158 HZ1 LYS 21 HZ1 LYS 21 7.988 13.757 -23.405 159 HZ2 LYS 21 HZ2 LYS 21 9.611 14.003 -23.242 160 HZ3 LYS 21 HZ3 LYS 21 9.052 12.830 -24.259 161 H ARG 22 H ARG 22 14.228 9.600 -19.417 162 HA ARG 22 HA ARG 22 15.459 7.422 -20.810 163 HB2 ARG 22 HB2 ARG 22 16.543 9.356 -18.738 164 HB3 ARG 22 HB3 ARG 22 17.540 8.192 -19.598 165 HG2 ARG 22 HG2 ARG 22 16.972 9.255 -21.733 166 HG3 ARG 22 HG3 ARG 22 15.936 10.423 -20.875 167 HD2 ARG 22 HD2 ARG 22 17.919 11.131 -19.581 168 HD3 ARG 22 HD3 ARG 22 18.910 10.067 -20.607 169 HE ARG 22 HE ARG 22 17.721 12.627 -21.322 170 HH11 ARG 22 HH11 ARG 22 19.129 9.630 -22.493 171 HH12 ARG 22 HH12 ARG 22 19.577 10.300 -24.045 172 HH21 ARG 22 HH21 ARG 22 18.308 13.486 -23.340 173 HH22 ARG 22 HH22 ARG 22 19.113 12.483 -24.526 174 H ALA 23 H ALA 23 15.164 8.101 -17.300 175 HA ALA 23 HA ALA 23 16.190 5.686 -16.328 176 HB1 ALA 23 HB1 ALA 23 14.762 6.068 -14.344 177 HB2 ALA 23 HB2 ALA 23 15.563 7.565 -14.878 178 HB3 ALA 23 HB3 ALA 23 13.845 7.293 -15.250 179 H TYR 24 H TYR 24 12.907 6.396 -17.495 180 HA TYR 24 HA TYR 24 11.816 3.824 -16.880 181 HB2 TYR 24 HB2 TYR 24 10.369 5.734 -17.360 182 HB3 TYR 24 HB3 TYR 24 11.033 5.879 -18.983 183 HD1 TYR 24 HD1 TYR 24 9.500 3.192 -16.852 184 HD2 TYR 24 HD2 TYR 24 9.714 5.104 -20.687 185 HE1 TYR 24 HE1 TYR 24 7.746 1.676 -17.706 186 HE2 TYR 24 HE2 TYR 24 7.959 3.587 -21.541 187 HH TYR 24 HH TYR 24 6.697 1.805 -21.105 188 H ARG 25 H ARG 25 13.427 5.110 -19.775 189 HA ARG 25 HA ARG 25 13.087 2.884 -21.468 190 HB2 ARG 25 HB2 ARG 25 14.066 5.031 -22.189 191 HB3 ARG 25 HB3 ARG 25 15.499 4.716 -21.222 192 HG2 ARG 25 HG2 ARG 25 15.706 2.555 -22.670 193 HG3 ARG 25 HG3 ARG 25 14.614 3.420 -23.778 194 HD2 ARG 25 HD2 ARG 25 16.839 3.854 -24.447 195 HD3 ARG 25 HD3 ARG 25 16.197 5.336 -23.701 196 HE ARG 25 HE ARG 25 17.528 3.792 -21.730 197 HH11 ARG 25 HH11 ARG 25 18.202 5.740 -24.574 198 HH12 ARG 25 HH12 ARG 25 19.797 6.209 -24.029 199 HH21 ARG 25 HH21 ARG 25 19.600 4.407 -21.033 200 HH22 ARG 25 HH22 ARG 25 20.589 5.455 -22.026 201 H ARG 26 H ARG 26 15.755 3.564 -19.174 202 HA ARG 26 HA ARG 26 17.229 1.212 -19.526 203 HB2 ARG 26 HB2 ARG 26 18.015 3.030 -18.114 204 HB3 ARG 26 HB3 ARG 26 16.694 2.783 -16.983 205 HG2 ARG 26 HG2 ARG 26 17.609 0.550 -16.425 206 HG3 ARG 26 HG3 ARG 26 18.973 0.863 -17.526 207 HD2 ARG 26 HD2 ARG 26 19.563 1.320 -15.227 208 HD3 ARG 26 HD3 ARG 26 19.588 2.806 -16.205 209 HE ARG 26 HE ARG 26 17.058 2.390 -14.888 210 HH11 ARG 26 HH11 ARG 26 20.337 3.572 -14.446 211 HH12 ARG 26 HH12 ARG 26 19.905 4.654 -13.141 212 HH21 ARG 26 HH21 ARG 26 16.510 3.798 -13.192 213 HH22 ARG 26 HH22 ARG 26 17.739 4.783 -12.431 214 H GLN 27 H GLN 27 14.365 1.768 -17.480 215 HA GLN 27 HA GLN 27 14.549 -0.846 -16.237 216 HB2 GLN 27 HB2 GLN 27 12.337 1.243 -16.278 217 HB3 GLN 27 HB3 GLN 27 12.258 -0.244 -15.344 218 HG2 GLN 27 HG2 GLN 27 14.295 1.968 -15.022 219 HG3 GLN 27 HG3 GLN 27 12.928 1.593 -13.936 220 HE21 GLN 27 HE21 GLN 27 14.702 -0.695 -12.041 221 HE22 GLN 27 HE22 GLN 27 13.329 0.343 -12.231 222 H ALA 28 H ALA 28 12.508 0.597 -18.775 223 HA ALA 28 HA ALA 28 10.959 -1.753 -19.263 224 HB1 ALA 28 HB1 ALA 28 10.427 -0.687 -21.432 225 HB2 ALA 28 HB2 ALA 28 10.289 0.462 -20.080 226 HB3 ALA 28 HB3 ALA 28 11.710 0.511 -21.148 227 H LEU 29 H LEU 29 14.067 -0.625 -20.552 228 HA LEU 29 HA LEU 29 14.497 -2.854 -22.300 229 HB2 LEU 29 HB2 LEU 29 16.407 -1.037 -20.795 230 HB3 LEU 29 HB3 LEU 29 16.945 -2.278 -21.931 231 HG LEU 29 HG LEU 29 15.137 0.053 -22.660 232 HD11 LEU 29 HD11 LEU 29 17.138 0.985 -23.731 233 HD12 LEU 29 HD12 LEU 29 17.351 0.819 -21.972 234 HD13 LEU 29 HD13 LEU 29 18.112 -0.352 -23.074 235 HD21 LEU 29 HD21 LEU 29 15.684 -0.645 -24.966 236 HD22 LEU 29 HD22 LEU 29 16.638 -2.007 -24.329 237 HD23 LEU 29 HD23 LEU 29 14.877 -1.957 -24.076 238 H ARG 30 H ARG 30 15.070 -2.335 -18.841 239 HA ARG 30 HA ARG 30 16.625 -4.664 -18.363 240 HB2 ARG 30 HB2 ARG 30 16.280 -2.760 -16.762 241 HB3 ARG 30 HB3 ARG 30 14.652 -3.349 -16.464 242 HG2 ARG 30 HG2 ARG 30 15.584 -5.471 -15.605 243 HG3 ARG 30 HG3 ARG 30 17.225 -4.829 -15.864 244 HD2 ARG 30 HD2 ARG 30 15.114 -3.620 -14.092 245 HD3 ARG 30 HD3 ARG 30 16.503 -4.596 -13.559 246 HE ARG 30 HE ARG 30 16.505 -1.816 -14.384 247 HH11 ARG 30 HH11 ARG 30 18.443 -4.718 -13.979 248 HH12 ARG 30 HH12 ARG 30 19.950 -3.843 -13.831 249 HH21 ARG 30 HH21 ARG 30 18.468 -0.691 -14.191 250 HH22 ARG 30 HH22 ARG 30 19.965 -1.563 -13.951 251 H TYR 31 H TYR 31 13.119 -4.153 -18.500 252 HA TYR 31 HA TYR 31 12.741 -7.055 -17.906 253 HB2 TYR 31 HB2 TYR 31 10.834 -4.702 -17.599 254 HB3 TYR 31 HB3 TYR 31 10.372 -6.382 -17.367 255 HD1 TYR 31 HD1 TYR 31 12.004 -3.487 -15.926 256 HD2 TYR 31 HD2 TYR 31 11.384 -7.713 -15.513 257 HE1 TYR 31 HE1 TYR 31 12.731 -3.364 -13.567 258 HE2 TYR 31 HE2 TYR 31 12.109 -7.589 -13.153 259 HH TYR 31 HH TYR 31 13.059 -4.493 -11.681 260 H HIS 32 H HIS 32 13.070 -5.121 -20.485 261 HA HIS 32 HA HIS 32 11.055 -5.777 -22.307 262 HB2 HIS 32 HB2 HIS 32 13.209 -4.468 -22.733 263 HB3 HIS 32 HB3 HIS 32 14.015 -6.018 -22.922 264 HD2 HIS 32 HD2 HIS 32 11.850 -3.583 -24.966 265 HE1 HIS 32 HE1 HIS 32 12.282 -7.141 -27.272 266 HE2 HIS 32 HE2 HIS 32 11.506 -4.712 -27.286 267 HA PRO 33 HA PRO 33 10.518 -10.028 -22.307 268 HB2 PRO 33 HB2 PRO 33 10.285 -9.614 -25.325 269 HB3 PRO 33 HB3 PRO 33 9.251 -10.576 -24.261 270 HG2 PRO 33 HG2 PRO 33 8.396 -8.168 -24.983 271 HG3 PRO 33 HG3 PRO 33 8.220 -8.655 -23.295 272 HD2 PRO 33 HD2 PRO 33 10.277 -6.816 -24.558 273 HD3 PRO 33 HD3 PRO 33 9.453 -6.680 -22.954 274 H ASP 34 H ASP 34 12.680 -8.574 -24.731 275 HA ASP 34 HA ASP 34 14.059 -11.139 -25.190 276 HB2 ASP 34 HB2 ASP 34 14.478 -8.350 -26.335 277 HB3 ASP 34 HB3 ASP 34 15.462 -9.742 -26.765 278 H LYS 35 H LYS 35 14.108 -9.221 -22.665 279 HA LYS 35 HA LYS 35 17.081 -9.318 -22.373 280 HB2 LYS 35 HB2 LYS 35 15.177 -7.157 -21.383 281 HB3 LYS 35 HB3 LYS 35 16.877 -7.265 -20.947 282 HG2 LYS 35 HG2 LYS 35 15.827 -6.905 -23.770 283 HG3 LYS 35 HG3 LYS 35 16.443 -5.615 -22.727 284 HD2 LYS 35 HD2 LYS 35 18.634 -6.813 -22.600 285 HD3 LYS 35 HD3 LYS 35 18.007 -8.024 -23.728 286 HE2 LYS 35 HE2 LYS 35 17.641 -6.245 -25.418 287 HE3 LYS 35 HE3 LYS 35 18.297 -5.050 -24.295 288 HZ1 LYS 35 HZ1 LYS 35 19.943 -5.794 -25.852 289 HZ2 LYS 35 HZ2 LYS 35 20.375 -6.247 -24.325 290 HZ3 LYS 35 HZ3 LYS 35 19.764 -7.362 -25.376 291 H ASN 36 H ASN 36 13.909 -9.628 -20.877 292 HA ASN 36 HA ASN 36 15.123 -11.251 -18.732 293 HB2 ASN 36 HB2 ASN 36 15.127 -8.912 -17.871 294 HB3 ASN 36 HB3 ASN 36 13.387 -8.837 -18.114 295 HD21 ASN 36 HD21 ASN 36 14.480 -9.890 -14.605 296 HD22 ASN 36 HD22 ASN 36 15.147 -8.715 -15.687 297 H LYS 37 H LYS 37 14.032 -13.041 -18.567 298 HA LYS 37 HA LYS 37 11.091 -12.941 -19.092 299 HB2 LYS 37 HB2 LYS 37 13.070 -15.110 -19.895 300 HB3 LYS 37 HB3 LYS 37 11.324 -15.270 -20.008 301 HG2 LYS 37 HG2 LYS 37 11.262 -13.359 -21.590 302 HG3 LYS 37 HG3 LYS 37 13.027 -13.255 -21.500 303 HD2 LYS 37 HD2 LYS 37 13.203 -15.579 -22.344 304 HD3 LYS 37 HD3 LYS 37 11.439 -15.671 -22.445 305 HE2 LYS 37 HE2 LYS 37 11.439 -13.792 -24.059 306 HE3 LYS 37 HE3 LYS 37 13.200 -13.713 -23.965 307 HZ1 LYS 37 HZ1 LYS 37 12.473 -14.961 -25.863 308 HZ2 LYS 37 HZ2 LYS 37 13.287 -15.951 -24.826 309 HZ3 LYS 37 HZ3 LYS 37 11.642 -16.024 -24.914 310 H GLU 38 H GLU 38 10.581 -12.770 -16.921 311 HA GLU 38 HA GLU 38 10.808 -15.306 -15.431 312 HB2 GLU 38 HB2 GLU 38 12.828 -14.039 -14.754 313 HB3 GLU 38 HB3 GLU 38 11.827 -12.666 -14.303 314 HG2 GLU 38 HG2 GLU 38 10.746 -14.002 -12.558 315 HG3 GLU 38 HG3 GLU 38 11.703 -15.406 -13.025 316 HA PRO 39 HA PRO 39 6.718 -14.026 -14.493 317 HB2 PRO 39 HB2 PRO 39 6.122 -16.008 -12.672 318 HB3 PRO 39 HB3 PRO 39 6.182 -16.300 -14.415 319 HG2 PRO 39 HG2 PRO 39 8.341 -16.787 -12.318 320 HG3 PRO 39 HG3 PRO 39 7.777 -17.883 -13.583 321 HD2 PRO 39 HD2 PRO 39 10.025 -16.403 -13.930 322 HD3 PRO 39 HD3 PRO 39 8.895 -16.715 -15.308 323 H GLY 40 H GLY 40 5.926 -12.588 -13.039 324 HA2 GLY 40 HA2 GLY 40 5.690 -11.608 -10.850 325 HA3 GLY 40 HA3 GLY 40 7.178 -12.386 -10.345 326 H ALA 41 H ALA 41 9.037 -11.703 -12.181 327 HA ALA 41 HA ALA 41 9.504 -8.900 -12.009 328 HB1 ALA 41 HB1 ALA 41 11.205 -9.290 -13.763 329 HB2 ALA 41 HB2 ALA 41 11.291 -10.516 -12.475 330 HB3 ALA 41 HB3 ALA 41 10.538 -10.916 -14.036 331 H GLU 42 H GLU 42 7.977 -10.888 -14.537 332 HA GLU 42 HA GLU 42 7.335 -8.852 -16.369 333 HB2 GLU 42 HB2 GLU 42 5.778 -11.310 -15.492 334 HB3 GLU 42 HB3 GLU 42 5.247 -10.266 -16.803 335 HG2 GLU 42 HG2 GLU 42 7.249 -10.754 -18.075 336 HG3 GLU 42 HG3 GLU 42 7.920 -11.680 -16.733 337 H GLU 43 H GLU 43 5.882 -9.644 -13.249 338 HA GLU 43 HA GLU 43 3.722 -7.706 -13.578 339 HB2 GLU 43 HB2 GLU 43 4.736 -9.222 -11.139 340 HB3 GLU 43 HB3 GLU 43 3.313 -8.190 -11.145 341 HG2 GLU 43 HG2 GLU 43 3.686 -10.679 -12.826 342 HG3 GLU 43 HG3 GLU 43 2.759 -10.570 -11.332 343 H LYS 44 H LYS 44 6.858 -7.837 -11.903 344 HA LYS 44 HA LYS 44 6.801 -5.242 -10.766 345 HB2 LYS 44 HB2 LYS 44 9.091 -6.891 -11.896 346 HB3 LYS 44 HB3 LYS 44 9.333 -5.353 -11.078 347 HG2 LYS 44 HG2 LYS 44 8.326 -6.265 -9.028 348 HG3 LYS 44 HG3 LYS 44 8.047 -7.808 -9.848 349 HD2 LYS 44 HD2 LYS 44 10.488 -8.043 -10.222 350 HD3 LYS 44 HD3 LYS 44 10.758 -6.511 -9.378 351 HE2 LYS 44 HE2 LYS 44 9.763 -7.458 -7.326 352 HE3 LYS 44 HE3 LYS 44 9.468 -8.984 -8.164 353 HZ1 LYS 44 HZ1 LYS 44 11.470 -9.062 -6.868 354 HZ2 LYS 44 HZ2 LYS 44 11.838 -9.207 -8.470 355 HZ3 LYS 44 HZ3 LYS 44 12.114 -7.782 -7.685 356 H PHE 45 H PHE 45 7.655 -6.313 -14.049 357 HA PHE 45 HA PHE 45 8.379 -3.754 -15.066 358 HB2 PHE 45 HB2 PHE 45 8.775 -5.913 -16.249 359 HB3 PHE 45 HB3 PHE 45 7.048 -6.072 -16.523 360 HD1 PHE 45 HD1 PHE 45 8.501 -2.737 -16.680 361 HD2 PHE 45 HD2 PHE 45 7.494 -6.222 -18.935 362 HE1 PHE 45 HE1 PHE 45 8.713 -1.441 -18.775 363 HE2 PHE 45 HE2 PHE 45 7.707 -4.932 -21.032 364 HZ PHE 45 HZ PHE 45 8.316 -2.539 -20.951 365 H LYS 46 H LYS 46 5.227 -5.408 -14.862 366 HA LYS 46 HA LYS 46 3.671 -3.364 -16.074 367 HB2 LYS 46 HB2 LYS 46 3.017 -5.398 -13.915 368 HB3 LYS 46 HB3 LYS 46 1.813 -4.306 -14.585 369 HG2 LYS 46 HG2 LYS 46 2.157 -5.252 -16.820 370 HG3 LYS 46 HG3 LYS 46 3.421 -6.317 -16.187 371 HD2 LYS 46 HD2 LYS 46 1.747 -7.345 -14.648 372 HD3 LYS 46 HD3 LYS 46 0.493 -6.322 -15.365 373 HE2 LYS 46 HE2 LYS 46 0.845 -7.353 -17.552 374 HE3 LYS 46 HE3 LYS 46 2.195 -8.301 -16.924 375 HZ1 LYS 46 HZ1 LYS 46 0.186 -9.584 -17.023 376 HZ2 LYS 46 HZ2 LYS 46 0.657 -9.408 -15.452 377 HZ3 LYS 46 HZ3 LYS 46 -0.605 -8.522 -16.039 378 H GLU 47 H GLU 47 4.728 -3.802 -12.705 379 HA GLU 47 HA GLU 47 3.326 -1.530 -11.672 380 HB2 GLU 47 HB2 GLU 47 5.807 -3.004 -10.712 381 HB3 GLU 47 HB3 GLU 47 5.065 -1.690 -9.812 382 HG2 GLU 47 HG2 GLU 47 2.963 -2.978 -9.673 383 HG3 GLU 47 HG3 GLU 47 3.728 -4.300 -10.554 384 H ILE 48 H ILE 48 6.562 -1.939 -13.072 385 HA ILE 48 HA ILE 48 7.347 0.809 -12.678 386 HB ILE 48 HB ILE 48 8.332 -1.365 -14.564 387 HG12 ILE 48 HG12 ILE 48 9.676 -0.106 -12.167 388 HG13 ILE 48 HG13 ILE 48 8.703 -1.565 -12.076 389 HG21 ILE 48 HG21 ILE 48 10.226 0.127 -15.060 390 HG22 ILE 48 HG22 ILE 48 8.690 0.840 -15.607 391 HG23 ILE 48 HG23 ILE 48 9.459 1.423 -14.112 392 HD11 ILE 48 HD11 ILE 48 11.072 -2.097 -12.215 393 HD12 ILE 48 HD12 ILE 48 10.213 -2.686 -13.659 394 HD13 ILE 48 HD13 ILE 48 11.200 -1.207 -13.750 395 H ALA 49 H ALA 49 6.026 -0.979 -15.482 396 HA ALA 49 HA ALA 49 5.666 1.202 -17.216 397 HB1 ALA 49 HB1 ALA 49 3.819 -0.113 -18.203 398 HB2 ALA 49 HB2 ALA 49 5.247 -1.124 -17.878 399 HB3 ALA 49 HB3 ALA 49 3.842 -1.192 -16.790 400 H GLU 50 H GLU 50 3.638 0.106 -14.514 401 HA GLU 50 HA GLU 50 1.589 2.083 -14.873 402 HB2 GLU 50 HB2 GLU 50 1.280 0.074 -13.469 403 HB3 GLU 50 HB3 GLU 50 2.514 0.642 -12.354 404 HG2 GLU 50 HG2 GLU 50 0.465 1.140 -11.336 405 HG3 GLU 50 HG3 GLU 50 1.066 2.679 -11.952 406 H ALA 51 H ALA 51 4.497 1.998 -12.789 407 HA ALA 51 HA ALA 51 4.355 4.499 -11.615 408 HB1 ALA 51 HB1 ALA 51 6.828 4.520 -11.659 409 HB2 ALA 51 HB2 ALA 51 6.189 2.921 -11.211 410 HB3 ALA 51 HB3 ALA 51 6.809 3.202 -12.854 411 H TYR 52 H TYR 52 5.838 3.835 -14.810 412 HA TYR 52 HA TYR 52 6.167 6.618 -15.443 413 HB2 TYR 52 HB2 TYR 52 7.469 4.775 -16.510 414 HB3 TYR 52 HB3 TYR 52 6.008 4.222 -17.315 415 HD1 TYR 52 HD1 TYR 52 8.156 7.262 -16.941 416 HD2 TYR 52 HD2 TYR 52 5.477 5.014 -19.426 417 HE1 TYR 52 HE1 TYR 52 8.608 8.801 -18.821 418 HE2 TYR 52 HE2 TYR 52 5.930 6.552 -21.307 419 HH TYR 52 HH TYR 52 7.528 9.526 -20.906 420 H ASP 53 H ASP 53 3.712 4.209 -16.403 421 HA ASP 53 HA ASP 53 2.056 5.411 -18.102 422 HB2 ASP 53 HB2 ASP 53 1.506 3.384 -16.693 423 HB3 ASP 53 HB3 ASP 53 1.016 4.471 -15.401 424 H VAL 54 H VAL 54 2.064 6.368 -14.646 425 HA VAL 54 HA VAL 54 0.153 8.493 -15.134 426 HB VAL 54 HB VAL 54 0.194 8.850 -12.824 427 HG11 VAL 54 HG11 VAL 54 0.329 6.660 -11.740 428 HG12 VAL 54 HG12 VAL 54 -0.513 6.578 -13.306 429 HG13 VAL 54 HG13 VAL 54 1.168 6.007 -13.167 430 HG21 VAL 54 HG21 VAL 54 2.135 8.323 -11.384 431 HG22 VAL 54 HG22 VAL 54 3.026 7.726 -12.803 432 HG23 VAL 54 HG23 VAL 54 2.587 9.448 -12.686 433 H LEU 55 H LEU 55 3.665 8.265 -14.812 434 HA LEU 55 HA LEU 55 4.177 11.082 -14.702 435 HB2 LEU 55 HB2 LEU 55 5.739 8.606 -15.267 436 HB3 LEU 55 HB3 LEU 55 6.407 10.117 -15.893 437 HG LEU 55 HG LEU 55 7.456 9.933 -13.833 438 HD11 LEU 55 HD11 LEU 55 6.434 11.603 -12.353 439 HD12 LEU 55 HD12 LEU 55 6.374 12.110 -14.057 440 HD13 LEU 55 HD13 LEU 55 4.911 11.478 -13.265 441 HD21 LEU 55 HD21 LEU 55 6.320 9.162 -11.777 442 HD22 LEU 55 HD22 LEU 55 4.794 9.003 -12.681 443 HD23 LEU 55 HD23 LEU 55 6.177 7.956 -13.079 444 H SER 56 H SER 56 3.495 8.853 -17.323 445 HA SER 56 HA SER 56 4.123 10.913 -19.347 446 HB2 SER 56 HB2 SER 56 3.627 9.198 -20.973 447 HB3 SER 56 HB3 SER 56 4.685 8.522 -19.743 448 HG SER 56 HG SER 56 2.358 8.110 -18.810 449 H ASP 57 H ASP 57 1.447 9.746 -17.510 450 HA ASP 57 HA ASP 57 -0.446 11.069 -19.410 451 HB2 ASP 57 HB2 ASP 57 -0.704 8.572 -19.220 452 HB3 ASP 57 HB3 ASP 57 -1.043 8.770 -17.507 453 HA PRO 58 HA PRO 58 -0.525 13.863 -16.018 454 HB2 PRO 58 HB2 PRO 58 -2.739 15.034 -17.752 455 HB3 PRO 58 HB3 PRO 58 -1.401 15.866 -16.950 456 HG2 PRO 58 HG2 PRO 58 -1.204 15.390 -19.560 457 HG3 PRO 58 HG3 PRO 58 0.207 15.111 -18.536 458 HD2 PRO 58 HD2 PRO 58 -1.776 13.099 -19.662 459 HD3 PRO 58 HD3 PRO 58 0.023 12.969 -19.512 460 H ARG 59 H ARG 59 -3.077 11.884 -17.222 461 HA ARG 59 HA ARG 59 -5.214 12.933 -15.568 462 HB2 ARG 59 HB2 ARG 59 -4.936 10.355 -17.147 463 HB3 ARG 59 HB3 ARG 59 -6.400 10.825 -16.295 464 HG2 ARG 59 HG2 ARG 59 -6.590 12.828 -17.706 465 HG3 ARG 59 HG3 ARG 59 -5.106 12.355 -18.567 466 HD2 ARG 59 HD2 ARG 59 -7.632 10.726 -18.398 467 HD3 ARG 59 HD3 ARG 59 -7.132 11.737 -19.772 468 HE ARG 59 HE ARG 59 -5.020 9.985 -19.231 469 HH11 ARG 59 HH11 ARG 59 -8.373 9.807 -20.264 470 HH12 ARG 59 HH12 ARG 59 -8.141 8.339 -21.188 471 HH21 ARG 59 HH21 ARG 59 -4.732 8.079 -20.433 472 HH22 ARG 59 HH22 ARG 59 -6.081 7.360 -21.283 473 H LYS 60 H LYS 60 -2.872 10.294 -15.307 474 HA LYS 60 HA LYS 60 -3.908 9.743 -12.567 475 HB2 LYS 60 HB2 LYS 60 -1.858 8.175 -14.180 476 HB3 LYS 60 HB3 LYS 60 -2.555 7.705 -12.635 477 HG2 LYS 60 HG2 LYS 60 -4.029 7.948 -15.273 478 HG3 LYS 60 HG3 LYS 60 -3.584 6.455 -14.437 479 HD2 LYS 60 HD2 LYS 60 -5.003 7.180 -12.497 480 HD3 LYS 60 HD3 LYS 60 -5.521 8.578 -13.449 481 HE2 LYS 60 HE2 LYS 60 -6.400 7.034 -15.194 482 HE3 LYS 60 HE3 LYS 60 -5.931 5.657 -14.192 483 HZ1 LYS 60 HZ1 LYS 60 -8.235 6.210 -13.910 484 HZ2 LYS 60 HZ2 LYS 60 -7.426 6.460 -12.494 485 HZ3 LYS 60 HZ3 LYS 60 -7.865 7.745 -13.431 486 H ARG 61 H ARG 61 -1.638 11.597 -14.165 487 HA ARG 61 HA ARG 61 0.595 11.375 -12.373 488 HB2 ARG 61 HB2 ARG 61 0.629 12.437 -14.659 489 HB3 ARG 61 HB3 ARG 61 -0.257 13.799 -13.991 490 HG2 ARG 61 HG2 ARG 61 1.561 14.466 -12.639 491 HG3 ARG 61 HG3 ARG 61 2.405 12.917 -12.872 492 HD2 ARG 61 HD2 ARG 61 2.676 13.433 -15.236 493 HD3 ARG 61 HD3 ARG 61 1.857 14.991 -14.982 494 HE ARG 61 HE ARG 61 3.876 15.068 -13.163 495 HH11 ARG 61 HH11 ARG 61 3.767 14.383 -16.607 496 HH12 ARG 61 HH12 ARG 61 5.374 15.006 -16.908 497 HH21 ARG 61 HH21 ARG 61 5.960 15.873 -13.568 498 HH22 ARG 61 HH22 ARG 61 6.616 15.850 -15.189 499 H GLU 62 H GLU 62 -2.043 13.799 -12.590 500 HA GLU 62 HA GLU 62 -1.494 15.223 -10.241 501 HB2 GLU 62 HB2 GLU 62 -3.259 15.839 -11.871 502 HB3 GLU 62 HB3 GLU 62 -4.219 14.457 -11.365 503 HG2 GLU 62 HG2 GLU 62 -4.435 15.405 -9.118 504 HG3 GLU 62 HG3 GLU 62 -3.431 16.775 -9.587 505 H ILE 63 H ILE 63 -3.054 12.076 -10.638 506 HA ILE 63 HA ILE 63 -4.129 11.994 -7.962 507 HB ILE 63 HB ILE 63 -3.668 9.837 -10.058 508 HG12 ILE 63 HG12 ILE 63 -6.236 11.075 -9.048 509 HG13 ILE 63 HG13 ILE 63 -5.376 11.632 -10.475 510 HG21 ILE 63 HG21 ILE 63 -5.054 8.378 -8.640 511 HG22 ILE 63 HG22 ILE 63 -3.549 8.837 -7.807 512 HG23 ILE 63 HG23 ILE 63 -5.082 9.628 -7.374 513 HD11 ILE 63 HD11 ILE 63 -7.200 10.142 -11.075 514 HD12 ILE 63 HD12 ILE 63 -5.633 9.418 -11.510 515 HD13 ILE 63 HD13 ILE 63 -6.505 8.854 -10.065 516 H PHE 64 H PHE 64 -1.599 9.905 -9.423 517 HA PHE 64 HA PHE 64 -0.298 9.003 -7.178 518 HB2 PHE 64 HB2 PHE 64 0.508 8.403 -9.368 519 HB3 PHE 64 HB3 PHE 64 0.887 10.072 -9.762 520 HD1 PHE 64 HD1 PHE 64 1.678 7.820 -6.871 521 HD2 PHE 64 HD2 PHE 64 3.142 10.430 -9.919 522 HE1 PHE 64 HE1 PHE 64 3.983 7.491 -6.042 523 HE2 PHE 64 HE2 PHE 64 5.449 10.101 -9.095 524 HZ PHE 64 HZ PHE 64 5.870 8.632 -7.154 525 H ASP 65 H ASP 65 0.423 12.138 -8.766 526 HA ASP 65 HA ASP 65 2.353 12.981 -6.886 527 HB2 ASP 65 HB2 ASP 65 0.486 14.535 -8.708 528 HB3 ASP 65 HB3 ASP 65 1.679 15.333 -7.692 529 H ARG 66 H ARG 66 -1.176 13.380 -6.899 530 HA ARG 66 HA ARG 66 -1.224 15.333 -4.799 531 HB2 ARG 66 HB2 ARG 66 -3.080 15.020 -6.395 532 HB3 ARG 66 HB3 ARG 66 -3.394 13.423 -5.733 533 HG2 ARG 66 HG2 ARG 66 -4.023 14.400 -3.586 534 HG3 ARG 66 HG3 ARG 66 -3.642 16.026 -4.203 535 HD2 ARG 66 HD2 ARG 66 -5.687 14.170 -5.396 536 HD3 ARG 66 HD3 ARG 66 -6.040 15.475 -4.239 537 HE ARG 66 HE ARG 66 -5.416 15.729 -7.064 538 HH11 ARG 66 HH11 ARG 66 -5.497 17.356 -3.951 539 HH12 ARG 66 HH12 ARG 66 -5.605 18.956 -4.649 540 HH21 ARG 66 HH21 ARG 66 -5.557 17.812 -7.958 541 HH22 ARG 66 HH22 ARG 66 -5.640 19.215 -6.917 542 H TYR 67 H TYR 67 -1.992 11.830 -4.795 543 HA TYR 67 HA TYR 67 -1.794 11.926 -1.815 544 HB2 TYR 67 HB2 TYR 67 -3.434 10.113 -3.629 545 HB3 TYR 67 HB3 TYR 67 -3.255 9.862 -1.898 546 HD1 TYR 67 HD1 TYR 67 -5.452 11.010 -4.230 547 HD2 TYR 67 HD2 TYR 67 -3.620 12.284 -0.566 548 HE1 TYR 67 HE1 TYR 67 -7.350 12.534 -3.811 549 HE2 TYR 67 HE2 TYR 67 -5.519 13.809 -0.146 550 HH TYR 67 HH TYR 67 -7.519 14.489 -0.836 551 H GLY 68 H GLY 68 -1.067 9.971 -4.700 552 HA2 GLY 68 HA2 GLY 68 1.336 9.069 -4.586 553 HA3 GLY 68 HA3 GLY 68 0.866 8.402 -3.035 554 H GLU 69 H GLU 69 1.182 6.255 -3.643 555 HA GLU 69 HA GLU 69 0.064 5.256 -6.148 556 HB2 GLU 69 HB2 GLU 69 1.317 3.692 -3.857 557 HB3 GLU 69 HB3 GLU 69 1.062 3.124 -5.501 558 HG2 GLU 69 HG2 GLU 69 3.297 3.642 -5.519 559 HG3 GLU 69 HG3 GLU 69 2.587 5.112 -6.184 560 H GLU 70 H GLU 70 -0.760 5.152 -2.720 561 HA GLU 70 HA GLU 70 -2.606 2.966 -2.902 562 HB2 GLU 70 HB2 GLU 70 -2.364 5.239 -0.893 563 HB3 GLU 70 HB3 GLU 70 -3.463 3.881 -0.702 564 HG2 GLU 70 HG2 GLU 70 -1.600 2.324 -0.626 565 HG3 GLU 70 HG3 GLU 70 -0.459 3.626 -0.953 566 H GLY 71 H GLY 71 -2.875 6.394 -3.541 567 HA2 GLY 71 HA2 GLY 71 -5.795 6.434 -3.481 568 HA3 GLY 71 HA3 GLY 71 -4.741 7.728 -4.020 569 H LEU 72 H LEU 72 -3.564 5.123 -5.597 570 HA LEU 72 HA LEU 72 -5.353 5.567 -7.946 571 HB2 LEU 72 HB2 LEU 72 -3.027 6.298 -8.283 572 HB3 LEU 72 HB3 LEU 72 -2.444 4.692 -7.835 573 HG LEU 72 HG LEU 72 -3.482 3.728 -9.838 574 HD11 LEU 72 HD11 LEU 72 -4.529 5.187 -11.511 575 HD12 LEU 72 HD12 LEU 72 -5.418 5.209 -9.971 576 HD13 LEU 72 HD13 LEU 72 -4.361 6.573 -10.409 577 HD21 LEU 72 HD21 LEU 72 -2.042 4.847 -11.506 578 HD22 LEU 72 HD22 LEU 72 -1.838 6.231 -10.404 579 HD23 LEU 72 HD23 LEU 72 -1.185 4.635 -9.961 580 H LYS 73 H LYS 73 -3.883 3.196 -5.829 581 HA LYS 73 HA LYS 73 -4.810 0.922 -7.418 582 HB2 LYS 73 HB2 LYS 73 -2.791 0.749 -5.996 583 HB3 LYS 73 HB3 LYS 73 -3.758 1.071 -4.564 584 HG2 LYS 73 HG2 LYS 73 -5.007 -1.016 -4.914 585 HG3 LYS 73 HG3 LYS 73 -4.074 -1.335 -6.384 586 HD2 LYS 73 HD2 LYS 73 -1.988 -1.384 -5.049 587 HD3 LYS 73 HD3 LYS 73 -2.925 -1.071 -3.580 588 HE2 LYS 73 HE2 LYS 73 -4.193 -3.176 -3.963 589 HE3 LYS 73 HE3 LYS 73 -3.209 -3.496 -5.393 590 HZ1 LYS 73 HZ1 LYS 73 -2.391 -4.663 -3.481 591 HZ2 LYS 73 HZ2 LYS 73 -1.273 -3.555 -3.977 592 HZ3 LYS 73 HZ3 LYS 73 -2.192 -3.258 -2.640 593 H GLY 74 H GLY 74 -5.893 2.725 -4.569 594 HA2 GLY 74 HA2 GLY 74 -8.375 2.937 -4.381 595 HA3 GLY 74 HA3 GLY 74 -8.485 1.227 -4.748 596 H SER 75 H SER 75 -5.988 2.610 -2.670 597 HA SER 75 HA SER 75 -7.373 1.513 -0.274 598 HB2 SER 75 HB2 SER 75 -5.296 0.432 0.462 599 HB3 SER 75 HB3 SER 75 -5.859 -0.239 -1.061 600 HG SER 75 HG SER 75 -3.882 1.734 -0.715 601 H GLY 76 H GLY 76 -6.597 4.218 -1.497 602 HA2 GLY 76 HA2 GLY 76 -4.629 5.244 0.451 603 HA3 GLY 76 HA3 GLY 76 -5.332 6.130 -0.890 604 HA PRO 77 HA PRO 77 -7.125 8.236 2.570 605 HB2 PRO 77 HB2 PRO 77 -8.620 9.514 0.235 606 HB3 PRO 77 HB3 PRO 77 -7.918 10.296 1.658 607 HG2 PRO 77 HG2 PRO 77 -6.557 10.396 -0.621 608 HG3 PRO 77 HG3 PRO 77 -5.683 10.038 0.870 609 HD2 PRO 77 HD2 PRO 77 -6.596 8.145 -1.321 610 HD3 PRO 77 HD3 PRO 77 -5.060 8.134 -0.367 611 H SER 78 H SER 78 -9.179 7.275 -0.225 612 HA SER 78 HA SER 78 -11.314 6.470 1.684 613 HB2 SER 78 HB2 SER 78 -12.735 6.268 -0.305 614 HB3 SER 78 HB3 SER 78 -12.009 7.865 -0.205 615 HG SER 78 HG SER 78 -11.970 6.453 -2.231 616 H GLY 79 H GLY 79 -9.060 4.902 1.845 617 HA2 GLY 79 HA2 GLY 79 -8.801 2.848 -0.105 618 HA3 GLY 79 HA3 GLY 79 -8.189 2.776 1.537 619 H GLY 80 H GLY 80 -9.762 0.914 -0.397 620 HA2 GLY 80 HA2 GLY 80 -10.932 -1.049 0.473 621 HA3 GLY 80 HA3 GLY 80 -11.716 -0.025 1.661 622 H SER 81 H SER 81 -12.453 2.140 -0.025 623 HA SER 81 HA SER 81 -14.669 0.906 -1.531 624 HB2 SER 81 HB2 SER 81 -15.563 3.142 -1.679 625 HB3 SER 81 HB3 SER 81 -15.054 2.847 -0.023 626 HG SER 81 HG SER 81 -13.060 3.866 -0.616 627 H GLY 82 H GLY 82 -11.562 2.313 -2.096 628 HA2 GLY 82 HA2 GLY 82 -10.447 2.884 -4.065 629 HA3 GLY 82 HA3 GLY 82 -11.200 1.418 -4.665 630 H GLY 83 H GLY 83 -11.901 4.883 -4.095 631 HA2 GLY 83 HA2 GLY 83 -13.176 6.404 -5.296 632 HA3 GLY 83 HA3 GLY 83 -12.905 5.402 -6.711 633 H GLY 84 H GLY 84 -14.526 4.134 -7.483 634 HA2 GLY 84 HA2 GLY 84 -17.102 4.201 -5.953 635 HA3 GLY 84 HA3 GLY 84 -16.992 4.229 -7.704 636 H ALA 85 H ALA 85 -14.653 2.200 -6.273 637 HA ALA 85 HA ALA 85 -15.770 -0.154 -7.469 638 HB1 ALA 85 HB1 ALA 85 -13.917 -1.336 -6.334 639 HB2 ALA 85 HB2 ALA 85 -13.353 0.136 -7.158 640 HB3 ALA 85 HB3 ALA 85 -13.567 0.131 -5.392 641 H ASN 86 H ASN 86 -15.784 1.133 -4.173 642 HA ASN 86 HA ASN 86 -17.249 0.704 -2.448 643 HB2 ASN 86 HB2 ASN 86 -18.711 -0.836 -4.614 644 HB3 ASN 86 HB3 ASN 86 -19.326 -0.642 -2.978 645 HD21 ASN 86 HD21 ASN 86 -20.634 1.994 -5.333 646 HD22 ASN 86 HD22 ASN 86 -20.490 0.273 -5.456 647 H GLY 87 H GLY 87 -17.800 -2.430 -3.995 648 HA2 GLY 87 HA2 GLY 87 -16.327 -3.689 -1.705 649 HA3 GLY 87 HA3 GLY 87 -17.815 -4.341 -2.366 650 H THR 88 H THR 88 -15.700 -2.940 -4.692 651 HA THR 88 HA THR 88 -15.256 -5.675 -5.771 652 HB THR 88 HB THR 88 -15.133 -2.962 -7.159 653 HG1 THR 88 HG1 THR 88 -17.237 -3.315 -7.044 654 HG21 THR 88 HG21 THR 88 -15.024 -4.293 -9.230 655 HG22 THR 88 HG22 THR 88 -13.625 -4.631 -8.182 656 HG23 THR 88 HG23 THR 88 -14.971 -5.790 -8.272 657 H SER 89 H SER 89 -13.309 -6.530 -6.093 658 HA SER 89 HA SER 89 -10.957 -5.166 -5.070 659 HB2 SER 89 HB2 SER 89 -9.772 -7.182 -5.671 660 HB3 SER 89 HB3 SER 89 -11.297 -7.625 -4.919 661 HG SER 89 HG SER 89 -10.442 -8.467 -7.133 662 H PHE 90 H PHE 90 -8.990 -4.799 -6.287 663 HA PHE 90 HA PHE 90 -9.106 -4.363 -9.134 664 HB2 PHE 90 HB2 PHE 90 -10.718 -2.609 -8.421 665 HB3 PHE 90 HB3 PHE 90 -9.499 -1.918 -7.361 666 HD1 PHE 90 HD1 PHE 90 -9.903 -2.911 -10.949 667 HD2 PHE 90 HD2 PHE 90 -8.283 -0.132 -8.138 668 HE1 PHE 90 HE1 PHE 90 -9.081 -1.509 -12.811 669 HE2 PHE 90 HE2 PHE 90 -7.461 1.275 -9.998 670 HZ PHE 90 HZ PHE 90 -7.860 0.584 -12.336 671 H SER 91 H SER 91 -7.077 -4.576 -9.737 672 HA SER 91 HA SER 91 -4.903 -3.684 -7.944 673 HB2 SER 91 HB2 SER 91 -3.423 -4.805 -9.465 674 HB3 SER 91 HB3 SER 91 -4.790 -5.866 -9.167 675 HG SER 91 HG SER 91 -4.406 -4.160 -11.372 676 H TYR 92 H TYR 92 -3.020 -2.538 -9.042 677 HA TYR 92 HA TYR 92 -3.609 -0.029 -10.066 678 HB2 TYR 92 HB2 TYR 92 -1.239 -1.844 -10.639 679 HB3 TYR 92 HB3 TYR 92 -1.317 -0.175 -11.187 680 HD1 TYR 92 HD1 TYR 92 -0.524 -2.375 -8.476 681 HD2 TYR 92 HD2 TYR 92 -1.620 1.662 -9.433 682 HE1 TYR 92 HE1 TYR 92 0.360 -1.617 -6.296 683 HE2 TYR 92 HE2 TYR 92 -0.735 2.419 -7.253 684 HH TYR 92 HH TYR 92 0.666 0.113 -4.935 685 H THR 93 H THR 93 -3.877 0.928 -12.037 686 HA THR 93 HA THR 93 -5.355 -0.691 -13.919 687 HB THR 93 HB THR 93 -5.930 1.687 -13.466 688 HG1 THR 93 HG1 THR 93 -5.781 2.246 -15.898 689 HG21 THR 93 HG21 THR 93 -4.545 3.468 -14.457 690 HG22 THR 93 HG22 THR 93 -3.630 2.558 -13.233 691 HG23 THR 93 HG23 THR 93 -3.343 2.259 -14.962 692 H PHE 94 H PHE 94 -3.625 -2.251 -14.367 693 HA PHE 94 HA PHE 94 -1.234 -1.338 -15.736 694 HB2 PHE 94 HB2 PHE 94 -2.432 -4.097 -15.292 695 HB3 PHE 94 HB3 PHE 94 -0.916 -3.832 -16.139 696 HD1 PHE 94 HD1 PHE 94 -1.817 -5.190 -13.341 697 HD2 PHE 94 HD2 PHE 94 0.280 -1.657 -14.512 698 HE1 PHE 94 HE1 PHE 94 -0.613 -5.190 -11.182 699 HE2 PHE 94 HE2 PHE 94 1.487 -1.655 -12.356 700 HZ PHE 94 HZ PHE 94 1.039 -3.423 -10.689 701 H HIS 95 H HIS 95 -4.453 -1.970 -16.714 702 HA HIS 95 HA HIS 95 -4.182 -2.537 -19.455 703 HB2 HIS 95 HB2 HIS 95 -6.359 -2.228 -18.348 704 HB3 HIS 95 HB3 HIS 95 -6.022 -0.517 -18.120 705 HD2 HIS 95 HD2 HIS 95 -6.859 1.122 -20.305 706 HE1 HIS 95 HE1 HIS 95 -7.482 -2.110 -22.991 707 H GLY 96 H GLY 96 -4.256 0.789 -18.058 708 HA2 GLY 96 HA2 GLY 96 -2.824 2.133 -20.057 709 HA3 GLY 96 HA3 GLY 96 -2.702 2.487 -18.343 710 H ASP 97 H ASP 97 -1.336 0.679 -21.035 711 HA ASP 97 HA ASP 97 1.048 0.050 -19.342 712 HB2 ASP 97 HB2 ASP 97 -0.200 -1.994 -19.959 713 HB3 ASP 97 HB3 ASP 97 -0.105 -1.557 -21.659 714 HA PRO 98 HA PRO 98 2.618 2.718 -22.587 715 HB2 PRO 98 HB2 PRO 98 4.603 3.896 -21.134 716 HB3 PRO 98 HB3 PRO 98 2.911 4.371 -20.941 717 HG2 PRO 98 HG2 PRO 98 4.556 2.436 -19.252 718 HG3 PRO 98 HG3 PRO 98 3.540 3.771 -18.702 719 HD2 PRO 98 HD2 PRO 98 2.621 1.199 -18.749 720 HD3 PRO 98 HD3 PRO 98 1.533 2.605 -19.085 721 H HIS 99 H HIS 99 3.236 -0.144 -22.286 722 HA HIS 99 HA HIS 99 6.052 -0.141 -23.199 723 HB2 HIS 99 HB2 HIS 99 5.010 -2.134 -22.056 724 HB3 HIS 99 HB3 HIS 99 3.955 -2.326 -23.448 725 HD2 HIS 99 HD2 HIS 99 4.997 -3.946 -25.372 726 HE1 HIS 99 HE1 HIS 99 9.082 -3.705 -24.181 727 H ALA 100 H ALA 100 2.821 0.216 -24.498 728 HA ALA 100 HA ALA 100 3.685 0.177 -27.260 729 HB1 ALA 100 HB1 ALA 100 1.545 1.340 -27.696 730 HB2 ALA 100 HB2 ALA 100 1.321 -0.087 -26.656 731 HB3 ALA 100 HB3 ALA 100 1.308 1.544 -25.945 732 H MET 101 H MET 101 3.179 2.772 -24.852 733 HA MET 101 HA MET 101 4.232 4.904 -26.386 734 HB2 MET 101 HB2 MET 101 4.355 4.330 -23.405 735 HB3 MET 101 HB3 MET 101 4.913 5.837 -24.116 736 HG2 MET 101 HG2 MET 101 2.641 6.263 -24.989 737 HG3 MET 101 HG3 MET 101 2.084 4.756 -24.260 738 HE1 MET 101 HE1 MET 101 0.403 7.367 -21.916 739 HE2 MET 101 HE2 MET 101 0.607 7.450 -23.684 740 HE3 MET 101 HE3 MET 101 0.177 5.907 -22.907 741 H PHE 102 H PHE 102 5.931 2.620 -24.224 742 HA PHE 102 HA PHE 102 8.535 3.654 -24.650 743 HB2 PHE 102 HB2 PHE 102 8.043 2.055 -22.863 744 HB3 PHE 102 HB3 PHE 102 7.628 0.815 -24.034 745 HD1 PHE 102 HD1 PHE 102 10.497 3.141 -23.387 746 HD2 PHE 102 HD2 PHE 102 9.203 -0.812 -24.368 747 HE1 PHE 102 HE1 PHE 102 12.849 2.380 -23.413 748 HE2 PHE 102 HE2 PHE 102 11.554 -1.577 -24.392 749 HZ PHE 102 HZ PHE 102 13.377 0.021 -23.916 750 H ALA 103 H ALA 103 6.864 0.947 -26.300 751 HA ALA 103 HA ALA 103 8.872 0.352 -28.171 752 HB1 ALA 103 HB1 ALA 103 7.050 -0.556 -29.575 753 HB2 ALA 103 HB2 ALA 103 6.866 -1.027 -27.868 754 HB3 ALA 103 HB3 ALA 103 5.857 0.271 -28.547 755 H GLU 104 H GLU 104 6.459 2.928 -28.185 756 HA GLU 104 HA GLU 104 7.086 3.790 -30.886 757 HB2 GLU 104 HB2 GLU 104 4.891 4.254 -29.852 758 HB3 GLU 104 HB3 GLU 104 5.663 5.227 -28.608 759 HG2 GLU 104 HG2 GLU 104 4.692 6.679 -30.238 760 HG3 GLU 104 HG3 GLU 104 6.445 6.802 -30.350 761 H PHE 105 H PHE 105 8.037 4.808 -27.612 762 HA PHE 105 HA PHE 105 9.417 7.172 -28.524 763 HB2 PHE 105 HB2 PHE 105 9.583 5.625 -25.908 764 HB3 PHE 105 HB3 PHE 105 10.371 7.169 -26.191 765 HD1 PHE 105 HD1 PHE 105 7.782 7.923 -28.037 766 HD2 PHE 105 HD2 PHE 105 8.478 6.770 -23.982 767 HE1 PHE 105 HE1 PHE 105 5.721 9.103 -27.349 768 HE2 PHE 105 HE2 PHE 105 6.416 7.946 -23.290 769 HZ PHE 105 HZ PHE 105 5.038 9.115 -24.976 770 H PHE 106 H PHE 106 10.570 3.980 -27.361 771 HA PHE 106 HA PHE 106 13.272 4.745 -28.391 772 HB2 PHE 106 HB2 PHE 106 12.571 2.980 -26.009 773 HB3 PHE 106 HB3 PHE 106 14.197 3.301 -26.592 774 HD1 PHE 106 HD1 PHE 106 11.443 4.505 -24.599 775 HD2 PHE 106 HD2 PHE 106 15.111 5.635 -26.474 776 HE1 PHE 106 HE1 PHE 106 11.562 6.509 -23.156 777 HE2 PHE 106 HE2 PHE 106 15.234 7.638 -25.032 778 HZ PHE 106 HZ PHE 106 13.457 8.076 -23.373 779 H GLY 107 H GLY 107 10.815 2.245 -28.122 780 HA2 GLY 107 HA2 GLY 107 10.411 0.498 -29.622 781 HA3 GLY 107 HA3 GLY 107 11.825 0.980 -30.541 782 H GLY 108 H GLY 108 12.009 0.400 -27.082 783 HA2 GLY 108 HA2 GLY 108 12.976 -1.309 -25.837 784 HA3 GLY 108 HA3 GLY 108 12.732 -2.387 -27.199 785 H ARG 109 H ARG 109 14.528 0.660 -27.367 786 HA ARG 109 HA ARG 109 17.093 -0.848 -27.261 787 HB2 ARG 109 HB2 ARG 109 16.334 1.195 -29.377 788 HB3 ARG 109 HB3 ARG 109 17.945 0.534 -29.152 789 HG2 ARG 109 HG2 ARG 109 15.522 -1.157 -29.796 790 HG3 ARG 109 HG3 ARG 109 16.639 -0.492 -31.011 791 HD2 ARG 109 HD2 ARG 109 18.486 -1.662 -29.876 792 HD3 ARG 109 HD3 ARG 109 17.295 -2.404 -28.783 793 HE ARG 109 HE ARG 109 17.749 -3.017 -31.610 794 HH11 ARG 109 HH11 ARG 109 15.707 -3.414 -28.779 795 HH12 ARG 109 HH12 ARG 109 14.929 -4.858 -29.387 796 HH21 ARG 109 HH21 ARG 109 16.732 -4.893 -32.389 797 HH22 ARG 109 HH22 ARG 109 15.508 -5.696 -31.430 798 H ASN 110 H ASN 110 18.961 0.902 -27.408 799 HA ASN 110 HA ASN 110 18.495 2.654 -25.101 800 HB2 ASN 110 HB2 ASN 110 20.955 2.053 -26.771 801 HB3 ASN 110 HB3 ASN 110 20.947 3.182 -25.423 802 HD21 ASN 110 HD21 ASN 110 21.628 -0.615 -24.699 803 HD22 ASN 110 HD22 ASN 110 21.843 0.205 -26.210 Start of MODEL 2 1 H1 MET 1 1H MET 1 10.071 -0.977 3.116 2 H2 MET 1 2H MET 1 10.501 0.155 2.020 3 H3 MET 1 3H MET 1 8.925 -0.199 2.252 4 HA MET 1 HA MET 1 10.953 -1.980 1.160 5 HB2 MET 1 HB2 MET 1 7.964 -2.404 1.543 6 HB3 MET 1 HB3 MET 1 9.064 -3.525 0.756 7 HG2 MET 1 HG2 MET 1 9.215 -2.686 3.666 8 HG3 MET 1 HG3 MET 1 8.513 -4.189 3.063 9 HE1 MET 1 HE1 MET 1 11.549 -6.204 1.791 10 HE2 MET 1 HE2 MET 1 9.830 -6.240 2.256 11 HE3 MET 1 HE3 MET 1 10.355 -5.267 0.860 12 H GLY 2 H GLY 2 9.641 -2.893 -0.974 13 HA2 GLY 2 HA2 GLY 2 9.855 -0.719 -2.846 14 HA3 GLY 2 HA3 GLY 2 9.299 -2.344 -3.205 15 H LYS 3 H LYS 3 8.405 0.918 -2.666 16 HA LYS 3 HA LYS 3 5.669 0.400 -3.482 17 HB2 LYS 3 HB2 LYS 3 4.514 1.152 -1.517 18 HB3 LYS 3 HB3 LYS 3 5.600 -0.136 -1.016 19 HG2 LYS 3 HG2 LYS 3 7.142 1.428 -0.043 20 HG3 LYS 3 HG3 LYS 3 6.280 2.803 -0.746 21 HD2 LYS 3 HD2 LYS 3 5.071 0.865 1.261 22 HD3 LYS 3 HD3 LYS 3 5.780 2.432 1.681 23 HE2 LYS 3 HE2 LYS 3 4.138 3.527 0.127 24 HE3 LYS 3 HE3 LYS 3 3.383 1.952 -0.126 25 HZ1 LYS 3 HZ1 LYS 3 2.255 3.211 1.557 26 HZ2 LYS 3 HZ2 LYS 3 2.923 1.859 2.228 27 HZ3 LYS 3 HZ3 LYS 3 3.627 3.332 2.464 28 H ASP 4 H ASP 4 7.596 1.838 -4.731 29 HA ASP 4 HA ASP 4 6.565 4.579 -4.606 30 HB2 ASP 4 HB2 ASP 4 8.303 4.559 -2.817 31 HB3 ASP 4 HB3 ASP 4 9.495 4.018 -3.990 32 H TYR 5 H TYR 5 6.270 5.137 -6.635 33 HA TYR 5 HA TYR 5 7.134 3.557 -8.800 34 HB2 TYR 5 HB2 TYR 5 6.261 6.476 -8.789 35 HB3 TYR 5 HB3 TYR 5 6.403 5.477 -10.229 36 HD1 TYR 5 HD1 TYR 5 5.315 3.530 -7.459 37 HD2 TYR 5 HD2 TYR 5 3.959 6.311 -10.431 38 HE1 TYR 5 HE1 TYR 5 2.995 2.740 -7.140 39 HE2 TYR 5 HE2 TYR 5 1.640 5.521 -10.112 40 HH TYR 5 HH TYR 5 0.801 2.761 -8.789 41 H TYR 6 H TYR 6 8.591 6.450 -7.377 42 HA TYR 6 HA TYR 6 10.503 6.815 -9.514 43 HB2 TYR 6 HB2 TYR 6 10.578 7.835 -6.644 44 HB3 TYR 6 HB3 TYR 6 11.578 8.416 -7.968 45 HD1 TYR 6 HD1 TYR 6 8.979 9.358 -6.035 46 HD2 TYR 6 HD2 TYR 6 9.899 8.856 -10.196 47 HE1 TYR 6 HE1 TYR 6 7.244 11.019 -6.620 48 HE2 TYR 6 HE2 TYR 6 8.164 10.517 -10.780 49 HH TYR 6 HH TYR 6 6.376 12.268 -8.274 50 H GLN 7 H GLN 7 10.466 5.002 -6.504 51 HA GLN 7 HA GLN 7 13.329 4.406 -6.648 52 HB2 GLN 7 HB2 GLN 7 11.095 3.324 -4.888 53 HB3 GLN 7 HB3 GLN 7 12.776 2.830 -4.748 54 HG2 GLN 7 HG2 GLN 7 13.402 5.185 -4.283 55 HG3 GLN 7 HG3 GLN 7 11.668 5.612 -4.325 56 HE21 GLN 7 HE21 GLN 7 11.245 4.916 -0.966 57 HE22 GLN 7 HE22 GLN 7 10.835 5.848 -2.369 58 H THR 8 H THR 8 10.433 3.142 -7.994 59 HA THR 8 HA THR 8 11.691 0.549 -8.630 60 HB THR 8 HB THR 8 9.569 0.086 -9.849 61 HG1 THR 8 HG1 THR 8 9.360 2.733 -9.800 62 HG21 THR 8 HG21 THR 8 8.086 0.074 -7.882 63 HG22 THR 8 HG22 THR 8 9.736 -0.423 -7.438 64 HG23 THR 8 HG23 THR 8 9.168 1.218 -7.054 65 H LEU 9 H LEU 9 11.074 3.676 -10.096 66 HA LEU 9 HA LEU 9 12.086 2.813 -12.706 67 HB2 LEU 9 HB2 LEU 9 11.453 5.523 -11.499 68 HB3 LEU 9 HB3 LEU 9 12.131 5.330 -13.118 69 HG LEU 9 HG LEU 9 9.478 4.149 -12.224 70 HD11 LEU 9 HD11 LEU 9 8.471 5.969 -13.526 71 HD12 LEU 9 HD12 LEU 9 9.423 6.588 -12.157 72 HD13 LEU 9 HD13 LEU 9 10.085 6.662 -13.808 73 HD21 LEU 9 HD21 LEU 9 9.159 3.835 -14.656 74 HD22 LEU 9 HD22 LEU 9 10.785 4.498 -14.954 75 HD23 LEU 9 HD23 LEU 9 10.598 2.959 -14.081 76 H GLY 10 H GLY 10 13.328 4.310 -9.769 77 HA2 GLY 10 HA2 GLY 10 15.571 4.129 -9.039 78 HA3 GLY 10 HA3 GLY 10 16.057 3.628 -10.648 79 H LEU 11 H LEU 11 14.195 6.507 -9.633 80 HA LEU 11 HA LEU 11 16.570 8.207 -10.077 81 HB2 LEU 11 HB2 LEU 11 15.613 9.592 -11.705 82 HB3 LEU 11 HB3 LEU 11 15.202 7.963 -12.251 83 HG LEU 11 HG LEU 11 13.321 9.846 -10.782 84 HD11 LEU 11 HD11 LEU 11 12.208 10.038 -12.961 85 HD12 LEU 11 HD12 LEU 11 13.881 10.641 -13.021 86 HD13 LEU 11 HD13 LEU 11 13.485 9.045 -13.701 87 HD21 LEU 11 HD21 LEU 11 11.619 8.164 -11.400 88 HD22 LEU 11 HD22 LEU 11 12.888 7.143 -12.118 89 HD23 LEU 11 HD23 LEU 11 12.879 7.449 -10.365 90 H ALA 12 H ALA 12 15.922 10.592 -9.629 91 HA ALA 12 HA ALA 12 14.791 10.576 -6.945 92 HB1 ALA 12 HB1 ALA 12 15.379 12.979 -6.948 93 HB2 ALA 12 HB2 ALA 12 16.745 11.966 -7.474 94 HB3 ALA 12 HB3 ALA 12 15.791 12.868 -8.674 95 H ARG 13 H ARG 13 12.979 11.609 -6.185 96 HA ARG 13 HA ARG 13 10.705 11.499 -7.904 97 HB2 ARG 13 HB2 ARG 13 9.452 12.361 -6.031 98 HB3 ARG 13 HB3 ARG 13 10.634 11.209 -5.430 99 HG2 ARG 13 HG2 ARG 13 12.101 13.109 -4.771 100 HG3 ARG 13 HG3 ARG 13 10.812 14.227 -5.283 101 HD2 ARG 13 HD2 ARG 13 9.295 13.179 -3.686 102 HD3 ARG 13 HD3 ARG 13 10.611 12.105 -3.157 103 HE ARG 13 HE ARG 13 10.265 14.935 -2.543 104 HH11 ARG 13 HH11 ARG 13 12.454 12.188 -2.602 105 HH12 ARG 13 HH12 ARG 13 13.538 12.866 -1.408 106 HH21 ARG 13 HH21 ARG 13 11.679 15.805 -0.993 107 HH22 ARG 13 HH22 ARG 13 13.100 14.913 -0.496 108 H GLY 14 H GLY 14 13.097 13.885 -7.527 109 HA2 GLY 14 HA2 GLY 14 11.251 16.051 -8.457 110 HA3 GLY 14 HA3 GLY 14 12.765 16.317 -7.613 111 H ALA 15 H ALA 15 12.710 13.802 -9.999 112 HA ALA 15 HA ALA 15 14.764 15.125 -11.536 113 HB1 ALA 15 HB1 ALA 15 14.622 13.134 -12.998 114 HB2 ALA 15 HB2 ALA 15 14.719 12.686 -11.278 115 HB3 ALA 15 HB3 ALA 15 13.160 12.612 -12.130 116 H SER 16 H SER 16 14.480 14.898 -14.083 117 HA SER 16 HA SER 16 12.205 16.726 -14.662 118 HB2 SER 16 HB2 SER 16 13.489 17.492 -16.543 119 HB3 SER 16 HB3 SER 16 14.542 17.481 -15.138 120 HG SER 16 HG SER 16 15.679 15.971 -15.966 121 H ASP 17 H ASP 17 11.225 16.577 -16.837 122 HA ASP 17 HA ASP 17 10.036 14.077 -17.300 123 HB2 ASP 17 HB2 ASP 17 10.470 16.438 -19.165 124 HB3 ASP 17 HB3 ASP 17 9.512 15.034 -19.613 125 H GLU 18 H GLU 18 12.945 15.498 -18.764 126 HA GLU 18 HA GLU 18 13.329 13.411 -20.698 127 HB2 GLU 18 HB2 GLU 18 14.410 15.582 -20.965 128 HB3 GLU 18 HB3 GLU 18 15.275 15.389 -19.448 129 HG2 GLU 18 HG2 GLU 18 16.779 14.983 -21.262 130 HG3 GLU 18 HG3 GLU 18 16.501 13.467 -20.407 131 H GLU 19 H GLU 19 14.621 13.952 -17.420 132 HA GLU 19 HA GLU 19 16.267 11.607 -17.386 133 HB2 GLU 19 HB2 GLU 19 15.017 13.266 -15.166 134 HB3 GLU 19 HB3 GLU 19 16.081 11.903 -14.852 135 HG2 GLU 19 HG2 GLU 19 17.920 12.989 -15.958 136 HG3 GLU 19 HG3 GLU 19 16.876 14.290 -16.528 137 H ILE 20 H ILE 20 12.886 12.209 -16.503 138 HA ILE 20 HA ILE 20 12.321 9.634 -15.434 139 HB ILE 20 HB ILE 20 10.583 11.679 -16.861 140 HG12 ILE 20 HG12 ILE 20 10.597 10.820 -13.965 141 HG13 ILE 20 HG13 ILE 20 11.570 12.149 -14.577 142 HG21 ILE 20 HG21 ILE 20 8.643 10.363 -16.110 143 HG22 ILE 20 HG22 ILE 20 9.641 9.435 -17.253 144 HG23 ILE 20 HG23 ILE 20 9.733 9.090 -15.510 145 HD11 ILE 20 HD11 ILE 20 9.502 12.959 -13.588 146 HD12 ILE 20 HD12 ILE 20 9.538 13.304 -15.334 147 HD13 ILE 20 HD13 ILE 20 8.552 11.958 -14.712 148 H LYS 21 H LYS 21 12.311 10.863 -18.767 149 HA LYS 21 HA LYS 21 11.183 8.477 -19.913 150 HB2 LYS 21 HB2 LYS 21 12.778 10.781 -21.084 151 HB3 LYS 21 HB3 LYS 21 12.192 9.445 -22.066 152 HG2 LYS 21 HG2 LYS 21 9.877 9.984 -21.461 153 HG3 LYS 21 HG3 LYS 21 10.443 11.297 -20.419 154 HD2 LYS 21 HD2 LYS 21 11.465 12.411 -22.380 155 HD3 LYS 21 HD3 LYS 21 10.887 11.102 -23.421 156 HE2 LYS 21 HE2 LYS 21 8.554 11.647 -22.822 157 HE3 LYS 21 HE3 LYS 21 9.120 12.941 -21.764 158 HZ1 LYS 21 HZ1 LYS 21 8.449 13.776 -23.894 159 HZ2 LYS 21 HZ2 LYS 21 10.066 14.022 -23.686 160 HZ3 LYS 21 HZ3 LYS 21 9.537 12.813 -24.675 161 H ARG 22 H ARG 22 14.519 9.623 -19.443 162 HA ARG 22 HA ARG 22 15.773 7.373 -20.697 163 HB2 ARG 22 HB2 ARG 22 16.746 9.268 -18.535 164 HB3 ARG 22 HB3 ARG 22 17.762 8.058 -19.302 165 HG2 ARG 22 HG2 ARG 22 17.483 9.140 -21.467 166 HG3 ARG 22 HG3 ARG 22 16.376 10.331 -20.745 167 HD2 ARG 22 HD2 ARG 22 18.211 11.003 -19.222 168 HD3 ARG 22 HD3 ARG 22 19.293 9.930 -20.141 169 HE ARG 22 HE ARG 22 17.894 11.756 -21.858 170 HH11 ARG 22 HH11 ARG 22 20.589 11.499 -19.620 171 HH12 ARG 22 HH12 ARG 22 21.491 12.801 -20.362 172 HH21 ARG 22 HH21 ARG 22 19.075 13.446 -22.812 173 HH22 ARG 22 HH22 ARG 22 20.636 13.904 -22.168 174 H ALA 23 H ALA 23 15.072 8.096 -17.258 175 HA ALA 23 HA ALA 23 15.880 5.640 -16.163 176 HB1 ALA 23 HB1 ALA 23 14.248 6.104 -14.363 177 HB2 ALA 23 HB2 ALA 23 15.181 7.555 -14.797 178 HB3 ALA 23 HB3 ALA 23 13.507 7.368 -15.372 179 H TYR 24 H TYR 24 12.756 6.516 -17.637 180 HA TYR 24 HA TYR 24 11.487 4.004 -17.179 181 HB2 TYR 24 HB2 TYR 24 10.188 5.963 -17.812 182 HB3 TYR 24 HB3 TYR 24 11.056 6.108 -19.334 183 HD1 TYR 24 HD1 TYR 24 9.088 3.521 -17.455 184 HD2 TYR 24 HD2 TYR 24 10.000 5.352 -21.226 185 HE1 TYR 24 HE1 TYR 24 7.393 2.099 -18.556 186 HE2 TYR 24 HE2 TYR 24 8.306 3.930 -22.327 187 HH TYR 24 HH TYR 24 6.366 1.603 -20.463 188 H ARG 25 H ARG 25 13.374 5.213 -19.952 189 HA ARG 25 HA ARG 25 13.080 2.996 -21.650 190 HB2 ARG 25 HB2 ARG 25 14.195 5.109 -22.290 191 HB3 ARG 25 HB3 ARG 25 15.551 4.717 -21.243 192 HG2 ARG 25 HG2 ARG 25 15.779 2.576 -22.683 193 HG3 ARG 25 HG3 ARG 25 14.741 3.442 -23.841 194 HD2 ARG 25 HD2 ARG 25 16.972 3.860 -24.452 195 HD3 ARG 25 HD3 ARG 25 16.356 5.345 -23.692 196 HE ARG 25 HE ARG 25 17.620 3.710 -21.739 197 HH11 ARG 25 HH11 ARG 25 18.358 5.770 -24.487 198 HH12 ARG 25 HH12 ARG 25 19.945 6.206 -23.894 199 HH21 ARG 25 HH21 ARG 25 19.683 4.282 -20.980 200 HH22 ARG 25 HH22 ARG 25 20.696 5.363 -21.909 201 H ARG 26 H ARG 26 15.605 3.571 -19.176 202 HA ARG 26 HA ARG 26 17.036 1.180 -19.497 203 HB2 ARG 26 HB2 ARG 26 17.803 2.987 -18.044 204 HB3 ARG 26 HB3 ARG 26 16.448 2.733 -16.954 205 HG2 ARG 26 HG2 ARG 26 17.317 0.512 -16.369 206 HG3 ARG 26 HG3 ARG 26 18.685 0.760 -17.481 207 HD2 ARG 26 HD2 ARG 26 19.356 1.229 -15.231 208 HD3 ARG 26 HD3 ARG 26 19.338 2.733 -16.181 209 HE ARG 26 HE ARG 26 16.863 2.262 -14.771 210 HH11 ARG 26 HH11 ARG 26 20.132 3.515 -14.474 211 HH12 ARG 26 HH12 ARG 26 19.736 4.584 -13.148 212 HH21 ARG 26 HH21 ARG 26 16.361 3.655 -13.048 213 HH22 ARG 26 HH22 ARG 26 17.602 4.664 -12.339 214 H GLN 27 H GLN 27 14.093 1.806 -17.591 215 HA GLN 27 HA GLN 27 14.210 -0.799 -16.305 216 HB2 GLN 27 HB2 GLN 27 12.069 1.360 -16.378 217 HB3 GLN 27 HB3 GLN 27 11.916 -0.127 -15.453 218 HG2 GLN 27 HG2 GLN 27 13.921 2.095 -15.066 219 HG3 GLN 27 HG3 GLN 27 12.632 1.553 -13.956 220 HE21 GLN 27 HE21 GLN 27 14.706 -0.629 -12.259 221 HE22 GLN 27 HE22 GLN 27 13.303 0.387 -12.292 222 H ALA 28 H ALA 28 12.263 0.676 -18.894 223 HA ALA 28 HA ALA 28 10.672 -1.655 -19.390 224 HB1 ALA 28 HB1 ALA 28 10.173 -0.578 -21.559 225 HB2 ALA 28 HB2 ALA 28 10.031 0.569 -20.207 226 HB3 ALA 28 HB3 ALA 28 11.464 0.608 -21.260 227 H LEU 29 H LEU 29 13.828 -0.579 -20.595 228 HA LEU 29 HA LEU 29 14.270 -2.834 -22.311 229 HB2 LEU 29 HB2 LEU 29 16.155 -1.033 -20.760 230 HB3 LEU 29 HB3 LEU 29 16.717 -2.308 -21.845 231 HG LEU 29 HG LEU 29 14.996 0.048 -22.697 232 HD11 LEU 29 HD11 LEU 29 17.062 0.902 -23.708 233 HD12 LEU 29 HD12 LEU 29 17.202 0.770 -21.940 234 HD13 LEU 29 HD13 LEU 29 17.973 -0.444 -22.988 235 HD21 LEU 29 HD21 LEU 29 15.612 -0.717 -24.965 236 HD22 LEU 29 HD22 LEU 29 16.503 -2.087 -24.262 237 HD23 LEU 29 HD23 LEU 29 14.736 -1.987 -24.078 238 H ARG 30 H ARG 30 14.700 -2.290 -18.838 239 HA ARG 30 HA ARG 30 16.180 -4.657 -18.278 240 HB2 ARG 30 HB2 ARG 30 15.862 -2.732 -16.709 241 HB3 ARG 30 HB3 ARG 30 14.194 -3.232 -16.473 242 HG2 ARG 30 HG2 ARG 30 14.965 -5.374 -15.533 243 HG3 ARG 30 HG3 ARG 30 16.652 -4.852 -15.757 244 HD2 ARG 30 HD2 ARG 30 14.584 -3.449 -14.079 245 HD3 ARG 30 HD3 ARG 30 15.870 -4.522 -13.477 246 HE ARG 30 HE ARG 30 16.130 -1.772 -14.380 247 HH11 ARG 30 HH11 ARG 30 17.796 -4.804 -13.764 248 HH12 ARG 30 HH12 ARG 30 19.360 -4.046 -13.560 249 HH21 ARG 30 HH21 ARG 30 18.166 -0.802 -14.113 250 HH22 ARG 30 HH22 ARG 30 19.571 -1.782 -13.757 251 H TYR 31 H TYR 31 12.693 -4.031 -18.503 252 HA TYR 31 HA TYR 31 12.196 -6.897 -17.840 253 HB2 TYR 31 HB2 TYR 31 10.303 -4.510 -17.786 254 HB3 TYR 31 HB3 TYR 31 9.856 -6.166 -17.396 255 HD1 TYR 31 HD1 TYR 31 10.878 -3.085 -16.072 256 HD2 TYR 31 HD2 TYR 31 11.368 -7.313 -15.532 257 HE1 TYR 31 HE1 TYR 31 11.537 -2.709 -13.720 258 HE2 TYR 31 HE2 TYR 31 12.026 -6.937 -13.180 259 HH TYR 31 HH TYR 31 12.044 -3.675 -11.774 260 H HIS 32 H HIS 32 12.770 -5.174 -20.496 261 HA HIS 32 HA HIS 32 10.832 -5.943 -22.387 262 HB2 HIS 32 HB2 HIS 32 13.003 -4.659 -22.788 263 HB3 HIS 32 HB3 HIS 32 13.826 -6.213 -22.795 264 HD2 HIS 32 HD2 HIS 32 11.822 -3.966 -25.178 265 HE1 HIS 32 HE1 HIS 32 12.352 -7.718 -27.129 266 HE2 HIS 32 HE2 HIS 32 11.613 -5.294 -27.406 267 HA PRO 33 HA PRO 33 10.292 -10.180 -22.076 268 HB2 PRO 33 HB2 PRO 33 10.253 -10.015 -25.127 269 HB3 PRO 33 HB3 PRO 33 9.154 -10.893 -24.056 270 HG2 PRO 33 HG2 PRO 33 8.346 -8.556 -25.023 271 HG3 PRO 33 HG3 PRO 33 8.062 -8.906 -23.316 272 HD2 PRO 33 HD2 PRO 33 10.193 -7.162 -24.589 273 HD3 PRO 33 HD3 PRO 33 9.270 -6.905 -23.053 274 H ASP 34 H ASP 34 12.612 -8.919 -24.460 275 HA ASP 34 HA ASP 34 14.013 -11.515 -24.596 276 HB2 ASP 34 HB2 ASP 34 14.467 -8.865 -26.022 277 HB3 ASP 34 HB3 ASP 34 15.477 -10.286 -26.252 278 H LYS 35 H LYS 35 13.927 -9.348 -22.291 279 HA LYS 35 HA LYS 35 16.886 -9.364 -21.861 280 HB2 LYS 35 HB2 LYS 35 14.896 -7.171 -21.157 281 HB3 LYS 35 HB3 LYS 35 16.570 -7.204 -20.619 282 HG2 LYS 35 HG2 LYS 35 15.678 -7.107 -23.517 283 HG3 LYS 35 HG3 LYS 35 16.215 -5.721 -22.557 284 HD2 LYS 35 HD2 LYS 35 18.412 -6.860 -22.206 285 HD3 LYS 35 HD3 LYS 35 17.868 -8.176 -23.257 286 HE2 LYS 35 HE2 LYS 35 17.571 -6.556 -25.114 287 HE3 LYS 35 HE3 LYS 35 18.144 -5.256 -24.065 288 HZ1 LYS 35 HZ1 LYS 35 19.886 -6.099 -25.458 289 HZ2 LYS 35 HZ2 LYS 35 20.239 -6.410 -23.877 290 HZ3 LYS 35 HZ3 LYS 35 19.705 -7.624 -24.857 291 H ASN 36 H ASN 36 13.656 -9.536 -20.443 292 HA ASN 36 HA ASN 36 14.769 -11.135 -18.236 293 HB2 ASN 36 HB2 ASN 36 14.881 -8.775 -17.432 294 HB3 ASN 36 HB3 ASN 36 13.147 -8.630 -17.682 295 HD21 ASN 36 HD21 ASN 36 13.901 -9.478 -14.126 296 HD22 ASN 36 HD22 ASN 36 14.444 -8.250 -15.221 297 H LYS 37 H LYS 37 13.644 -12.916 -18.408 298 HA LYS 37 HA LYS 37 10.673 -12.644 -18.615 299 HB2 LYS 37 HB2 LYS 37 10.606 -14.705 -19.911 300 HB3 LYS 37 HB3 LYS 37 11.654 -13.543 -20.714 301 HG2 LYS 37 HG2 LYS 37 13.636 -14.705 -19.784 302 HG3 LYS 37 HG3 LYS 37 12.565 -15.890 -19.024 303 HD2 LYS 37 HD2 LYS 37 11.674 -16.504 -21.258 304 HD3 LYS 37 HD3 LYS 37 12.776 -15.339 -22.007 305 HE2 LYS 37 HE2 LYS 37 14.709 -16.580 -21.074 306 HE3 LYS 37 HE3 LYS 37 13.604 -17.750 -20.350 307 HZ1 LYS 37 HZ1 LYS 37 14.475 -18.530 -22.429 308 HZ2 LYS 37 HZ2 LYS 37 12.844 -18.311 -22.555 309 HZ3 LYS 37 HZ3 LYS 37 13.877 -17.219 -23.233 310 H GLU 38 H GLU 38 12.175 -12.675 -16.197 311 HA GLU 38 HA GLU 38 11.891 -15.392 -15.110 312 HB2 GLU 38 HB2 GLU 38 12.640 -12.763 -13.765 313 HB3 GLU 38 HB3 GLU 38 12.677 -14.341 -12.991 314 HG2 GLU 38 HG2 GLU 38 14.321 -13.596 -15.419 315 HG3 GLU 38 HG3 GLU 38 14.891 -13.496 -13.753 316 HA PRO 39 HA PRO 39 7.830 -15.175 -13.595 317 HB2 PRO 39 HB2 PRO 39 9.025 -16.216 -10.999 318 HB3 PRO 39 HB3 PRO 39 7.634 -16.826 -11.906 319 HG2 PRO 39 HG2 PRO 39 9.936 -18.140 -12.110 320 HG3 PRO 39 HG3 PRO 39 8.990 -17.853 -13.573 321 HD2 PRO 39 HD2 PRO 39 11.430 -16.350 -12.540 322 HD3 PRO 39 HD3 PRO 39 11.051 -16.885 -14.227 323 H GLY 40 H GLY 40 6.838 -13.359 -12.960 324 HA2 GLY 40 HA2 GLY 40 6.128 -11.870 -11.203 325 HA3 GLY 40 HA3 GLY 40 7.692 -12.044 -10.429 326 H ALA 41 H ALA 41 9.016 -11.765 -13.159 327 HA ALA 41 HA ALA 41 9.560 -8.977 -13.031 328 HB1 ALA 41 HB1 ALA 41 10.733 -9.317 -15.182 329 HB2 ALA 41 HB2 ALA 41 11.129 -10.592 -14.006 330 HB3 ALA 41 HB3 ALA 41 9.984 -10.924 -15.327 331 H GLU 42 H GLU 42 7.304 -10.847 -15.023 332 HA GLU 42 HA GLU 42 6.348 -8.805 -16.697 333 HB2 GLU 42 HB2 GLU 42 5.624 -11.169 -16.837 334 HB3 GLU 42 HB3 GLU 42 4.759 -11.006 -15.316 335 HG2 GLU 42 HG2 GLU 42 3.252 -9.364 -16.316 336 HG3 GLU 42 HG3 GLU 42 4.142 -9.450 -17.835 337 H GLU 43 H GLU 43 5.479 -9.544 -13.324 338 HA GLU 43 HA GLU 43 3.513 -7.415 -13.181 339 HB2 GLU 43 HB2 GLU 43 4.912 -9.035 -11.017 340 HB3 GLU 43 HB3 GLU 43 3.621 -7.884 -10.706 341 HG2 GLU 43 HG2 GLU 43 3.388 -10.370 -12.415 342 HG3 GLU 43 HG3 GLU 43 2.830 -10.203 -10.752 343 H LYS 44 H LYS 44 6.940 -7.761 -12.374 344 HA LYS 44 HA LYS 44 7.233 -5.195 -11.128 345 HB2 LYS 44 HB2 LYS 44 9.208 -6.972 -12.606 346 HB3 LYS 44 HB3 LYS 44 9.669 -5.483 -11.795 347 HG2 LYS 44 HG2 LYS 44 8.907 -6.395 -9.644 348 HG3 LYS 44 HG3 LYS 44 8.400 -7.886 -10.450 349 HD2 LYS 44 HD2 LYS 44 10.733 -8.289 -11.176 350 HD3 LYS 44 HD3 LYS 44 11.239 -6.799 -10.365 351 HE2 LYS 44 HE2 LYS 44 10.496 -7.716 -8.198 352 HE3 LYS 44 HE3 LYS 44 9.961 -9.196 -8.997 353 HZ1 LYS 44 HZ1 LYS 44 12.122 -9.453 -8.020 354 HZ2 LYS 44 HZ2 LYS 44 12.234 -9.590 -9.660 355 HZ3 LYS 44 HZ3 LYS 44 12.733 -8.207 -8.911 356 H PHE 45 H PHE 45 7.260 -6.267 -14.493 357 HA PHE 45 HA PHE 45 7.994 -3.719 -15.607 358 HB2 PHE 45 HB2 PHE 45 7.931 -6.018 -16.773 359 HB3 PHE 45 HB3 PHE 45 6.197 -5.780 -16.925 360 HD1 PHE 45 HD1 PHE 45 7.663 -2.611 -17.059 361 HD2 PHE 45 HD2 PHE 45 7.124 -6.148 -19.395 362 HE1 PHE 45 HE1 PHE 45 8.023 -1.300 -19.123 363 HE2 PHE 45 HE2 PHE 45 7.486 -4.840 -21.462 364 HZ PHE 45 HZ PHE 45 7.934 -2.415 -21.325 365 H LYS 46 H LYS 46 4.884 -5.215 -14.740 366 HA LYS 46 HA LYS 46 3.228 -3.047 -15.578 367 HB2 LYS 46 HB2 LYS 46 2.903 -5.114 -13.372 368 HB3 LYS 46 HB3 LYS 46 1.653 -3.947 -13.785 369 HG2 LYS 46 HG2 LYS 46 1.521 -4.859 -16.061 370 HG3 LYS 46 HG3 LYS 46 2.812 -6.010 -15.682 371 HD2 LYS 46 HD2 LYS 46 1.377 -6.939 -13.845 372 HD3 LYS 46 HD3 LYS 46 0.076 -5.859 -14.366 373 HE2 LYS 46 HE2 LYS 46 0.031 -6.921 -16.572 374 HE3 LYS 46 HE3 LYS 46 1.403 -7.943 -16.137 375 HZ1 LYS 46 HZ1 LYS 46 -0.668 -9.103 -15.908 376 HZ2 LYS 46 HZ2 LYS 46 0.045 -8.941 -14.429 377 HZ3 LYS 46 HZ3 LYS 46 -1.237 -7.986 -14.836 378 H GLU 47 H GLU 47 5.000 -3.655 -12.559 379 HA GLU 47 HA GLU 47 4.143 -1.371 -11.127 380 HB2 GLU 47 HB2 GLU 47 6.788 -2.867 -11.161 381 HB3 GLU 47 HB3 GLU 47 6.478 -1.526 -10.066 382 HG2 GLU 47 HG2 GLU 47 4.606 -2.738 -9.067 383 HG3 GLU 47 HG3 GLU 47 4.842 -4.068 -10.199 384 H ILE 48 H ILE 48 6.701 -1.744 -13.572 385 HA ILE 48 HA ILE 48 7.577 0.984 -13.494 386 HB ILE 48 HB ILE 48 7.667 -1.080 -15.733 387 HG12 ILE 48 HG12 ILE 48 8.916 -1.771 -13.790 388 HG13 ILE 48 HG13 ILE 48 10.020 -1.308 -15.075 389 HG21 ILE 48 HG21 ILE 48 9.364 0.381 -16.753 390 HG22 ILE 48 HG22 ILE 48 7.794 1.209 -16.639 391 HG23 ILE 48 HG23 ILE 48 9.089 1.596 -15.482 392 HD11 ILE 48 HD11 ILE 48 10.795 -0.497 -12.919 393 HD12 ILE 48 HD12 ILE 48 10.391 0.866 -13.991 394 HD13 ILE 48 HD13 ILE 48 9.274 0.395 -12.687 395 H ALA 49 H ALA 49 5.132 -0.707 -15.463 396 HA ALA 49 HA ALA 49 4.229 1.339 -17.085 397 HB1 ALA 49 HB1 ALA 49 1.983 0.317 -16.916 398 HB2 ALA 49 HB2 ALA 49 3.256 -0.913 -17.087 399 HB3 ALA 49 HB3 ALA 49 2.521 -0.609 -15.496 400 H GLU 50 H GLU 50 2.395 0.664 -14.109 401 HA GLU 50 HA GLU 50 1.125 3.085 -13.830 402 HB2 GLU 50 HB2 GLU 50 1.044 2.658 -11.402 403 HB3 GLU 50 HB3 GLU 50 0.735 1.189 -12.318 404 HG2 GLU 50 HG2 GLU 50 2.998 0.404 -11.905 405 HG3 GLU 50 HG3 GLU 50 3.403 1.912 -11.088 406 H ALA 51 H ALA 51 4.500 2.384 -13.112 407 HA ALA 51 HA ALA 51 4.980 4.795 -11.619 408 HB1 ALA 51 HB1 ALA 51 7.370 4.249 -11.949 409 HB2 ALA 51 HB2 ALA 51 6.437 2.830 -11.418 410 HB3 ALA 51 HB3 ALA 51 6.913 2.994 -13.123 411 H TYR 52 H TYR 52 5.056 3.972 -15.033 412 HA TYR 52 HA TYR 52 6.069 6.698 -15.660 413 HB2 TYR 52 HB2 TYR 52 7.100 4.662 -16.763 414 HB3 TYR 52 HB3 TYR 52 5.560 4.377 -17.561 415 HD1 TYR 52 HD1 TYR 52 7.795 7.341 -16.975 416 HD2 TYR 52 HD2 TYR 52 5.492 5.022 -19.756 417 HE1 TYR 52 HE1 TYR 52 8.455 8.873 -18.799 418 HE2 TYR 52 HE2 TYR 52 6.152 6.553 -21.579 419 HH TYR 52 HH TYR 52 6.936 9.138 -21.618 420 H ASP 53 H ASP 53 3.337 4.507 -16.423 421 HA ASP 53 HA ASP 53 1.475 6.017 -17.625 422 HB2 ASP 53 HB2 ASP 53 1.149 4.658 -14.923 423 HB3 ASP 53 HB3 ASP 53 -0.200 5.279 -15.865 424 H VAL 54 H VAL 54 2.283 6.543 -14.170 425 HA VAL 54 HA VAL 54 0.790 8.937 -13.874 426 HB VAL 54 HB VAL 54 3.289 7.920 -12.467 427 HG11 VAL 54 HG11 VAL 54 2.872 9.608 -10.746 428 HG12 VAL 54 HG12 VAL 54 3.271 10.342 -12.318 429 HG13 VAL 54 HG13 VAL 54 1.583 10.312 -11.751 430 HG21 VAL 54 HG21 VAL 54 1.676 7.437 -10.654 431 HG22 VAL 54 HG22 VAL 54 0.354 8.071 -11.663 432 HG23 VAL 54 HG23 VAL 54 1.224 6.599 -12.157 433 H LEU 55 H LEU 55 4.097 8.361 -15.042 434 HA LEU 55 HA LEU 55 4.636 11.272 -14.925 435 HB2 LEU 55 HB2 LEU 55 6.518 8.977 -15.575 436 HB3 LEU 55 HB3 LEU 55 6.972 10.655 -15.263 437 HG LEU 55 HG LEU 55 5.777 8.728 -13.240 438 HD11 LEU 55 HD11 LEU 55 8.005 8.846 -12.216 439 HD12 LEU 55 HD12 LEU 55 8.074 8.185 -13.867 440 HD13 LEU 55 HD13 LEU 55 8.568 9.867 -13.559 441 HD21 LEU 55 HD21 LEU 55 6.249 10.541 -11.627 442 HD22 LEU 55 HD22 LEU 55 6.788 11.587 -12.962 443 HD23 LEU 55 HD23 LEU 55 5.087 11.072 -12.867 444 H SER 56 H SER 56 3.417 9.093 -17.114 445 HA SER 56 HA SER 56 4.454 10.703 -19.406 446 HB2 SER 56 HB2 SER 56 3.645 8.869 -20.831 447 HB3 SER 56 HB3 SER 56 4.814 8.301 -19.649 448 HG SER 56 HG SER 56 3.056 7.673 -18.351 449 H ASP 57 H ASP 57 1.644 9.873 -17.526 450 HA ASP 57 HA ASP 57 -0.071 11.330 -19.493 451 HB2 ASP 57 HB2 ASP 57 -0.456 8.836 -19.469 452 HB3 ASP 57 HB3 ASP 57 -0.914 8.961 -17.777 453 HA PRO 58 HA PRO 58 -0.489 14.009 -16.043 454 HB2 PRO 58 HB2 PRO 58 -2.785 14.991 -17.785 455 HB3 PRO 58 HB3 PRO 58 -1.544 15.933 -16.951 456 HG2 PRO 58 HG2 PRO 58 -1.275 15.537 -19.567 457 HG3 PRO 58 HG3 PRO 58 0.147 15.374 -18.531 458 HD2 PRO 58 HD2 PRO 58 -1.622 13.202 -19.718 459 HD3 PRO 58 HD3 PRO 58 0.181 13.248 -19.561 460 H ARG 59 H ARG 59 -2.851 11.864 -17.383 461 HA ARG 59 HA ARG 59 -5.090 12.514 -15.716 462 HB2 ARG 59 HB2 ARG 59 -4.333 9.978 -17.199 463 HB3 ARG 59 HB3 ARG 59 -5.851 10.173 -16.336 464 HG2 ARG 59 HG2 ARG 59 -6.434 12.074 -17.798 465 HG3 ARG 59 HG3 ARG 59 -4.911 11.834 -18.686 466 HD2 ARG 59 HD2 ARG 59 -5.636 9.536 -19.201 467 HD3 ARG 59 HD3 ARG 59 -7.196 9.898 -18.428 468 HE ARG 59 HE ARG 59 -7.732 11.356 -20.193 469 HH11 ARG 59 HH11 ARG 59 -4.581 9.863 -20.614 470 HH12 ARG 59 HH12 ARG 59 -4.480 10.261 -22.314 471 HH21 ARG 59 HH21 ARG 59 -7.591 11.867 -22.401 472 HH22 ARG 59 HH22 ARG 59 -6.183 11.396 -23.327 473 H LYS 60 H LYS 60 -2.352 10.293 -15.357 474 HA LYS 60 HA LYS 60 -3.349 9.594 -12.637 475 HB2 LYS 60 HB2 LYS 60 -1.190 8.307 -14.354 476 HB3 LYS 60 HB3 LYS 60 -1.599 7.802 -12.722 477 HG2 LYS 60 HG2 LYS 60 -3.743 7.021 -13.384 478 HG3 LYS 60 HG3 LYS 60 -3.643 7.839 -14.949 479 HD2 LYS 60 HD2 LYS 60 -1.909 6.344 -15.709 480 HD3 LYS 60 HD3 LYS 60 -1.731 5.640 -14.094 481 HE2 LYS 60 HE2 LYS 60 -3.016 4.095 -15.398 482 HE3 LYS 60 HE3 LYS 60 -4.128 4.856 -14.258 483 HZ1 LYS 60 HZ1 LYS 60 -5.053 4.747 -16.454 484 HZ2 LYS 60 HZ2 LYS 60 -4.836 6.324 -16.020 485 HZ3 LYS 60 HZ3 LYS 60 -3.799 5.611 -17.085 486 H ARG 61 H ARG 61 -1.173 11.624 -14.254 487 HA ARG 61 HA ARG 61 0.914 11.897 -12.370 488 HB2 ARG 61 HB2 ARG 61 0.856 13.065 -14.544 489 HB3 ARG 61 HB3 ARG 61 -0.477 14.064 -13.984 490 HG2 ARG 61 HG2 ARG 61 0.953 15.088 -12.295 491 HG3 ARG 61 HG3 ARG 61 2.303 14.034 -12.781 492 HD2 ARG 61 HD2 ARG 61 2.298 15.011 -14.985 493 HD3 ARG 61 HD3 ARG 61 0.906 16.028 -14.549 494 HE ARG 61 HE ARG 61 2.973 16.471 -12.676 495 HH11 ARG 61 HH11 ARG 61 2.244 17.036 -16.065 496 HH12 ARG 61 HH12 ARG 61 3.241 18.469 -16.170 497 HH21 ARG 61 HH21 ARG 61 4.263 18.334 -12.824 498 HH22 ARG 61 HH22 ARG 61 4.383 19.205 -14.336 499 H GLU 62 H GLU 62 -2.057 13.902 -12.574 500 HA GLU 62 HA GLU 62 -1.719 15.271 -10.155 501 HB2 GLU 62 HB2 GLU 62 -3.447 15.816 -11.855 502 HB3 GLU 62 HB3 GLU 62 -4.335 14.361 -11.424 503 HG2 GLU 62 HG2 GLU 62 -4.715 15.231 -9.171 504 HG3 GLU 62 HG3 GLU 62 -3.771 16.670 -9.550 505 H ILE 63 H ILE 63 -3.025 12.038 -10.733 506 HA ILE 63 HA ILE 63 -4.262 11.767 -8.154 507 HB ILE 63 HB ILE 63 -3.387 9.716 -10.225 508 HG12 ILE 63 HG12 ILE 63 -6.152 10.659 -9.444 509 HG13 ILE 63 HG13 ILE 63 -5.232 11.324 -10.785 510 HG21 ILE 63 HG21 ILE 63 -4.730 8.091 -8.955 511 HG22 ILE 63 HG22 ILE 63 -3.365 8.690 -7.984 512 HG23 ILE 63 HG23 ILE 63 -5.007 9.307 -7.685 513 HD11 ILE 63 HD11 ILE 63 -6.829 9.661 -11.556 514 HD12 ILE 63 HD12 ILE 63 -5.162 9.111 -11.851 515 HD13 ILE 63 HD13 ILE 63 -6.096 8.438 -10.493 516 H PHE 64 H PHE 64 -1.506 9.832 -9.372 517 HA PHE 64 HA PHE 64 -0.328 9.089 -7.001 518 HB2 PHE 64 HB2 PHE 64 0.587 8.454 -9.181 519 HB3 PHE 64 HB3 PHE 64 1.063 10.112 -9.507 520 HD1 PHE 64 HD1 PHE 64 1.830 7.074 -7.614 521 HD2 PHE 64 HD2 PHE 64 2.991 11.106 -8.416 522 HE1 PHE 64 HE1 PHE 64 4.031 6.644 -6.574 523 HE2 PHE 64 HE2 PHE 64 5.194 10.680 -7.380 524 HZ PHE 64 HZ PHE 64 5.714 8.449 -6.456 525 H ASP 65 H ASP 65 0.420 12.153 -8.713 526 HA ASP 65 HA ASP 65 2.221 13.189 -6.850 527 HB2 ASP 65 HB2 ASP 65 0.230 14.556 -8.685 528 HB3 ASP 65 HB3 ASP 65 1.330 15.478 -7.668 529 H ARG 66 H ARG 66 -1.329 13.366 -6.831 530 HA ARG 66 HA ARG 66 -1.435 15.208 -4.609 531 HB2 ARG 66 HB2 ARG 66 -3.256 14.957 -6.286 532 HB3 ARG 66 HB3 ARG 66 -3.581 13.341 -5.676 533 HG2 ARG 66 HG2 ARG 66 -4.208 14.271 -3.495 534 HG3 ARG 66 HG3 ARG 66 -3.856 15.910 -4.095 535 HD2 ARG 66 HD2 ARG 66 -5.883 14.024 -5.274 536 HD3 ARG 66 HD3 ARG 66 -6.238 15.351 -4.144 537 HE ARG 66 HE ARG 66 -5.618 15.548 -6.976 538 HH11 ARG 66 HH11 ARG 66 -5.720 17.239 -3.898 539 HH12 ARG 66 HH12 ARG 66 -5.844 18.823 -4.630 540 HH21 ARG 66 HH21 ARG 66 -5.780 17.608 -7.915 541 HH22 ARG 66 HH22 ARG 66 -5.878 19.033 -6.904 542 H TYR 67 H TYR 67 -2.168 11.708 -4.900 543 HA TYR 67 HA TYR 67 -2.109 11.575 -1.919 544 HB2 TYR 67 HB2 TYR 67 -3.445 9.750 -3.960 545 HB3 TYR 67 HB3 TYR 67 -3.416 9.453 -2.227 546 HD1 TYR 67 HD1 TYR 67 -5.416 10.583 -4.770 547 HD2 TYR 67 HD2 TYR 67 -4.133 11.729 -0.839 548 HE1 TYR 67 HE1 TYR 67 -7.457 11.950 -4.502 549 HE2 TYR 67 HE2 TYR 67 -6.175 13.095 -0.572 550 HH TYR 67 HH TYR 67 -8.657 13.213 -3.112 551 H GLY 68 H GLY 68 -1.030 9.903 -4.871 552 HA2 GLY 68 HA2 GLY 68 1.353 9.147 -4.830 553 HA3 GLY 68 HA3 GLY 68 1.072 8.569 -3.200 554 H GLU 69 H GLU 69 1.407 6.407 -3.454 555 HA GLU 69 HA GLU 69 0.514 5.001 -5.832 556 HB2 GLU 69 HB2 GLU 69 2.575 4.332 -4.680 557 HB3 GLU 69 HB3 GLU 69 1.680 3.995 -3.205 558 HG2 GLU 69 HG2 GLU 69 0.553 2.135 -4.221 559 HG3 GLU 69 HG3 GLU 69 1.198 2.541 -5.811 560 H GLU 70 H GLU 70 -0.496 5.096 -2.417 561 HA GLU 70 HA GLU 70 -2.425 3.016 -2.590 562 HB2 GLU 70 HB2 GLU 70 -2.235 5.442 -0.764 563 HB3 GLU 70 HB3 GLU 70 -3.447 4.184 -0.566 564 HG2 GLU 70 HG2 GLU 70 -1.834 3.511 0.916 565 HG3 GLU 70 HG3 GLU 70 -1.413 2.561 -0.507 566 H GLY 71 H GLY 71 -2.508 6.335 -3.637 567 HA2 GLY 71 HA2 GLY 71 -5.439 6.476 -3.723 568 HA3 GLY 71 HA3 GLY 71 -4.314 7.712 -4.255 569 H LEU 72 H LEU 72 -3.061 5.056 -5.632 570 HA LEU 72 HA LEU 72 -4.808 5.249 -8.048 571 HB2 LEU 72 HB2 LEU 72 -2.446 6.100 -8.274 572 HB3 LEU 72 HB3 LEU 72 -1.876 4.463 -7.931 573 HG LEU 72 HG LEU 72 -2.971 3.638 -9.976 574 HD11 LEU 72 HD11 LEU 72 -3.978 5.227 -11.553 575 HD12 LEU 72 HD12 LEU 72 -4.858 5.188 -10.007 576 HD13 LEU 72 HD13 LEU 72 -3.758 6.540 -10.371 577 HD21 LEU 72 HD21 LEU 72 -1.504 4.806 -11.586 578 HD22 LEU 72 HD22 LEU 72 -1.248 6.114 -10.405 579 HD23 LEU 72 HD23 LEU 72 -0.645 4.474 -10.061 580 H LYS 73 H LYS 73 -3.254 3.140 -5.727 581 HA LYS 73 HA LYS 73 -4.069 0.675 -7.003 582 HB2 LYS 73 HB2 LYS 73 -2.319 0.828 -5.212 583 HB3 LYS 73 HB3 LYS 73 -3.575 1.239 -4.052 584 HG2 LYS 73 HG2 LYS 73 -4.638 -0.937 -4.374 585 HG3 LYS 73 HG3 LYS 73 -3.454 -1.353 -5.621 586 HD2 LYS 73 HD2 LYS 73 -1.631 -1.132 -3.940 587 HD3 LYS 73 HD3 LYS 73 -2.841 -0.775 -2.699 588 HE2 LYS 73 HE2 LYS 73 -3.888 -2.982 -3.081 589 HE3 LYS 73 HE3 LYS 73 -2.686 -3.341 -4.325 590 HZ1 LYS 73 HZ1 LYS 73 -2.102 -4.313 -2.226 591 HZ2 LYS 73 HZ2 LYS 73 -0.982 -3.174 -2.642 592 HZ3 LYS 73 HZ3 LYS 73 -2.106 -2.841 -1.481 593 H GLY 74 H GLY 74 -5.443 2.544 -4.269 594 HA2 GLY 74 HA2 GLY 74 -7.826 0.828 -4.250 595 HA3 GLY 74 HA3 GLY 74 -7.481 2.155 -3.157 596 H SER 75 H SER 75 -7.836 1.836 -6.719 597 HA SER 75 HA SER 75 -9.840 4.052 -6.596 598 HB2 SER 75 HB2 SER 75 -9.223 4.545 -8.921 599 HB3 SER 75 HB3 SER 75 -7.834 4.662 -7.851 600 HG SER 75 HG SER 75 -7.264 3.528 -9.630 601 H GLY 76 H GLY 76 -10.081 1.013 -6.343 602 HA2 GLY 76 HA2 GLY 76 -12.195 0.708 -8.435 603 HA3 GLY 76 HA3 GLY 76 -11.009 -0.562 -8.200 604 HA PRO 77 HA PRO 77 -14.618 -0.961 -5.290 605 HB2 PRO 77 HB2 PRO 77 -15.952 -3.088 -6.371 606 HB3 PRO 77 HB3 PRO 77 -16.178 -1.444 -6.979 607 HG2 PRO 77 HG2 PRO 77 -14.377 -3.652 -8.064 608 HG3 PRO 77 HG3 PRO 77 -15.510 -2.629 -8.954 609 HD2 PRO 77 HD2 PRO 77 -12.841 -2.053 -8.841 610 HD3 PRO 77 HD3 PRO 77 -14.095 -0.751 -8.901 611 H SER 78 H SER 78 -12.437 -1.601 -4.232 612 HA SER 78 HA SER 78 -11.546 -4.312 -4.255 613 HB2 SER 78 HB2 SER 78 -11.237 -2.130 -2.167 614 HB3 SER 78 HB3 SER 78 -10.389 -3.668 -2.121 615 HG SER 78 HG SER 78 -10.168 -1.545 -3.906 616 H GLY 79 H GLY 79 -12.328 -6.087 -3.380 617 HA2 GLY 79 HA2 GLY 79 -13.259 -7.310 -1.503 618 HA3 GLY 79 HA3 GLY 79 -14.129 -5.868 -1.011 619 H GLY 80 H GLY 80 -14.723 -5.464 -4.034 620 HA2 GLY 80 HA2 GLY 80 -17.124 -7.245 -4.054 621 HA3 GLY 80 HA3 GLY 80 -17.017 -5.682 -4.842 622 H SER 81 H SER 81 -14.338 -7.941 -4.970 623 HA SER 81 HA SER 81 -14.101 -7.857 -7.779 624 HB2 SER 81 HB2 SER 81 -12.268 -8.551 -6.340 625 HB3 SER 81 HB3 SER 81 -13.172 -9.953 -5.791 626 HG SER 81 HG SER 81 -13.191 -10.681 -7.934 627 H GLY 82 H GLY 82 -14.650 -9.227 -9.444 628 HA2 GLY 82 HA2 GLY 82 -17.280 -10.422 -9.142 629 HA3 GLY 82 HA3 GLY 82 -16.330 -10.345 -10.615 630 H GLY 83 H GLY 83 -16.936 -12.148 -7.648 631 HA2 GLY 83 HA2 GLY 83 -16.878 -14.559 -7.573 632 HA3 GLY 83 HA3 GLY 83 -15.722 -14.566 -8.891 633 H GLY 84 H GLY 84 -15.282 -12.235 -6.349 634 HA2 GLY 84 HA2 GLY 84 -12.870 -13.737 -5.432 635 HA3 GLY 84 HA3 GLY 84 -13.105 -12.004 -5.299 636 H ALA 85 H ALA 85 -12.972 -11.663 -3.141 637 HA ALA 85 HA ALA 85 -15.234 -12.582 -1.530 638 HB1 ALA 85 HB1 ALA 85 -13.826 -13.500 0.286 639 HB2 ALA 85 HB2 ALA 85 -13.661 -14.441 -1.216 640 HB3 ALA 85 HB3 ALA 85 -12.386 -13.295 -0.738 641 H ASN 86 H ASN 86 -15.421 -11.488 0.510 642 HA ASN 86 HA ASN 86 -14.987 -8.726 0.327 643 HB2 ASN 86 HB2 ASN 86 -15.360 -10.483 2.771 644 HB3 ASN 86 HB3 ASN 86 -15.363 -8.725 2.829 645 HD21 ASN 86 HD21 ASN 86 -18.832 -10.142 2.489 646 HD22 ASN 86 HD22 ASN 86 -17.498 -10.517 3.529 647 H GLY 87 H GLY 87 -13.364 -7.394 0.580 648 HA2 GLY 87 HA2 GLY 87 -11.428 -6.614 1.822 649 HA3 GLY 87 HA3 GLY 87 -11.016 -8.277 2.198 650 H THR 88 H THR 88 -11.771 -8.934 -0.730 651 HA THR 88 HA THR 88 -9.206 -9.151 -1.790 652 HB THR 88 HB THR 88 -11.820 -8.808 -3.324 653 HG1 THR 88 HG1 THR 88 -11.522 -10.605 -1.738 654 HG21 THR 88 HG21 THR 88 -10.643 -9.977 -5.145 655 HG22 THR 88 HG22 THR 88 -9.838 -8.439 -4.753 656 HG23 THR 88 HG23 THR 88 -9.146 -9.976 -4.185 657 H SER 89 H SER 89 -7.835 -7.474 -1.749 658 HA SER 89 HA SER 89 -8.643 -4.784 -2.445 659 HB2 SER 89 HB2 SER 89 -6.830 -5.177 -0.868 660 HB3 SER 89 HB3 SER 89 -5.912 -6.057 -2.081 661 HG SER 89 HG SER 89 -6.108 -4.063 -3.339 662 H PHE 90 H PHE 90 -8.595 -3.732 -4.321 663 HA PHE 90 HA PHE 90 -7.942 -5.147 -6.774 664 HB2 PHE 90 HB2 PHE 90 -9.737 -3.465 -6.714 665 HB3 PHE 90 HB3 PHE 90 -8.588 -2.218 -6.253 666 HD1 PHE 90 HD1 PHE 90 -8.946 -4.815 -8.934 667 HD2 PHE 90 HD2 PHE 90 -7.894 -0.802 -7.914 668 HE1 PHE 90 HE1 PHE 90 -8.527 -4.320 -11.319 669 HE2 PHE 90 HE2 PHE 90 -7.478 -0.302 -10.300 670 HZ PHE 90 HZ PHE 90 -7.793 -2.063 -12.002 671 H SER 91 H SER 91 -6.092 -5.235 -7.852 672 HA SER 91 HA SER 91 -3.649 -4.133 -6.977 673 HB2 SER 91 HB2 SER 91 -3.851 -5.947 -8.640 674 HB3 SER 91 HB3 SER 91 -4.518 -4.814 -9.805 675 HG SER 91 HG SER 91 -2.126 -5.354 -9.655 676 H TYR 92 H TYR 92 -2.730 -2.918 -9.464 677 HA TYR 92 HA TYR 92 -3.585 -0.176 -8.721 678 HB2 TYR 92 HB2 TYR 92 -1.207 -1.066 -10.402 679 HB3 TYR 92 HB3 TYR 92 -1.512 0.556 -9.797 680 HD1 TYR 92 HD1 TYR 92 -0.310 -2.790 -8.993 681 HD2 TYR 92 HD2 TYR 92 -1.285 1.072 -7.398 682 HE1 TYR 92 HE1 TYR 92 0.955 -3.319 -6.936 683 HE2 TYR 92 HE2 TYR 92 -0.020 0.542 -5.342 684 HH TYR 92 HH TYR 92 1.675 -0.914 -4.548 685 H THR 93 H THR 93 -4.186 1.387 -10.198 686 HA THR 93 HA THR 93 -5.547 0.499 -12.575 687 HB THR 93 HB THR 93 -4.709 3.302 -11.714 688 HG1 THR 93 HG1 THR 93 -6.245 2.036 -10.381 689 HG21 THR 93 HG21 THR 93 -6.421 4.062 -13.314 690 HG22 THR 93 HG22 THR 93 -5.134 3.155 -14.144 691 HG23 THR 93 HG23 THR 93 -6.702 2.380 -13.820 692 H PHE 94 H PHE 94 -3.821 -0.739 -13.563 693 HA PHE 94 HA PHE 94 -1.546 0.678 -14.691 694 HB2 PHE 94 HB2 PHE 94 -2.715 -2.069 -15.284 695 HB3 PHE 94 HB3 PHE 94 -1.218 -1.461 -15.971 696 HD1 PHE 94 HD1 PHE 94 -2.419 -3.582 -13.594 697 HD2 PHE 94 HD2 PHE 94 0.341 -0.341 -13.964 698 HE1 PHE 94 HE1 PHE 94 -1.179 -4.415 -11.625 699 HE2 PHE 94 HE2 PHE 94 1.585 -1.173 -11.997 700 HZ PHE 94 HZ PHE 94 0.823 -3.210 -10.825 701 H HIS 95 H HIS 95 -1.284 1.568 -16.651 702 HA HIS 95 HA HIS 95 -3.776 2.227 -18.069 703 HB2 HIS 95 HB2 HIS 95 -1.838 3.850 -17.489 704 HB3 HIS 95 HB3 HIS 95 -0.989 3.116 -18.843 705 HD2 HIS 95 HD2 HIS 95 -2.019 3.757 -21.401 706 HE1 HIS 95 HE1 HIS 95 -4.798 6.654 -19.968 707 H GLY 96 H GLY 96 -4.105 -0.045 -18.744 708 HA2 GLY 96 HA2 GLY 96 -3.829 -1.839 -20.223 709 HA3 GLY 96 HA3 GLY 96 -3.821 -0.548 -21.411 710 H ASP 97 H ASP 97 -2.091 -0.432 -22.703 711 HA ASP 97 HA ASP 97 0.157 -2.249 -22.059 712 HB2 ASP 97 HB2 ASP 97 -1.075 -2.435 -24.248 713 HB3 ASP 97 HB3 ASP 97 -0.496 -0.831 -24.673 714 HA PRO 98 HA PRO 98 2.492 1.452 -21.210 715 HB2 PRO 98 HB2 PRO 98 4.482 0.281 -19.780 716 HB3 PRO 98 HB3 PRO 98 2.873 0.511 -19.083 717 HG2 PRO 98 HG2 PRO 98 4.058 -1.987 -20.372 718 HG3 PRO 98 HG3 PRO 98 3.212 -1.852 -18.827 719 HD2 PRO 98 HD2 PRO 98 1.934 -2.634 -21.126 720 HD3 PRO 98 HD3 PRO 98 1.093 -1.698 -19.826 721 H HIS 99 H HIS 99 2.978 -1.229 -23.184 722 HA HIS 99 HA HIS 99 5.859 -0.739 -23.705 723 HB2 HIS 99 HB2 HIS 99 4.919 -3.072 -23.353 724 HB3 HIS 99 HB3 HIS 99 4.066 -2.889 -24.878 725 HD2 HIS 99 HD2 HIS 99 5.525 -3.659 -27.053 726 HE1 HIS 99 HE1 HIS 99 9.364 -3.618 -25.202 727 H ALA 100 H ALA 100 2.722 -0.224 -25.134 728 HA ALA 100 HA ALA 100 3.590 0.334 -27.794 729 HB1 ALA 100 HB1 ALA 100 1.496 1.638 -27.973 730 HB2 ALA 100 HB2 ALA 100 1.223 0.054 -27.210 731 HB3 ALA 100 HB3 ALA 100 1.284 1.525 -26.211 732 H MET 101 H MET 101 3.084 2.516 -25.001 733 HA MET 101 HA MET 101 4.101 4.864 -26.201 734 HB2 MET 101 HB2 MET 101 4.159 3.896 -23.323 735 HB3 MET 101 HB3 MET 101 4.697 5.499 -23.802 736 HG2 MET 101 HG2 MET 101 2.396 5.876 -24.782 737 HG3 MET 101 HG3 MET 101 1.906 4.352 -24.038 738 HE1 MET 101 HE1 MET 101 2.105 5.051 -20.246 739 HE2 MET 101 HE2 MET 101 1.507 3.968 -21.528 740 HE3 MET 101 HE3 MET 101 3.258 4.181 -21.287 741 H PHE 102 H PHE 102 5.817 2.291 -24.425 742 HA PHE 102 HA PHE 102 8.390 3.526 -24.587 743 HB2 PHE 102 HB2 PHE 102 7.891 1.711 -23.002 744 HB3 PHE 102 HB3 PHE 102 7.627 0.590 -24.328 745 HD1 PHE 102 HD1 PHE 102 10.310 3.092 -23.555 746 HD2 PHE 102 HD2 PHE 102 9.306 -0.965 -24.442 747 HE1 PHE 102 HE1 PHE 102 12.708 2.493 -23.525 748 HE2 PHE 102 HE2 PHE 102 11.703 -1.568 -24.411 749 HZ PHE 102 HZ PHE 102 13.404 0.163 -23.952 750 H ALA 103 H ALA 103 6.884 0.954 -26.571 751 HA ALA 103 HA ALA 103 9.040 0.612 -28.359 752 HB1 ALA 103 HB1 ALA 103 7.360 -0.336 -29.908 753 HB2 ALA 103 HB2 ALA 103 7.137 -0.934 -28.246 754 HB3 ALA 103 HB3 ALA 103 6.061 0.327 -28.891 755 H GLU 104 H GLU 104 6.459 3.012 -28.306 756 HA GLU 104 HA GLU 104 7.079 4.100 -30.914 757 HB2 GLU 104 HB2 GLU 104 4.871 4.420 -29.866 758 HB3 GLU 104 HB3 GLU 104 5.603 5.311 -28.541 759 HG2 GLU 104 HG2 GLU 104 4.595 6.863 -30.052 760 HG3 GLU 104 HG3 GLU 104 6.346 7.047 -30.143 761 H PHE 105 H PHE 105 7.939 4.988 -27.570 762 HA PHE 105 HA PHE 105 9.289 7.413 -28.358 763 HB2 PHE 105 HB2 PHE 105 9.417 5.777 -25.795 764 HB3 PHE 105 HB3 PHE 105 10.177 7.346 -26.001 765 HD1 PHE 105 HD1 PHE 105 8.227 6.815 -23.863 766 HD2 PHE 105 HD2 PHE 105 7.629 8.121 -27.887 767 HE1 PHE 105 HE1 PHE 105 6.121 7.920 -23.190 768 HE2 PHE 105 HE2 PHE 105 5.523 9.228 -27.218 769 HZ PHE 105 HZ PHE 105 4.768 9.126 -24.868 770 H PHE 106 H PHE 106 10.452 4.174 -27.361 771 HA PHE 106 HA PHE 106 13.184 5.047 -28.208 772 HB2 PHE 106 HB2 PHE 106 12.393 3.188 -25.930 773 HB3 PHE 106 HB3 PHE 106 14.043 3.496 -26.444 774 HD1 PHE 106 HD1 PHE 106 11.272 4.654 -24.468 775 HD2 PHE 106 HD2 PHE 106 14.965 5.840 -26.258 776 HE1 PHE 106 HE1 PHE 106 11.376 6.606 -22.956 777 HE2 PHE 106 HE2 PHE 106 15.074 7.793 -24.745 778 HZ PHE 106 HZ PHE 106 13.277 8.176 -23.094 779 H GLY 107 H GLY 107 10.795 2.457 -28.113 780 HA2 GLY 107 HA2 GLY 107 10.480 0.779 -29.715 781 HA3 GLY 107 HA3 GLY 107 11.911 1.335 -30.561 782 H GLY 108 H GLY 108 12.081 0.666 -27.136 783 HA2 GLY 108 HA2 GLY 108 13.075 -1.050 -25.922 784 HA3 GLY 108 HA3 GLY 108 12.815 -2.114 -27.292 785 H ARG 109 H ARG 109 14.632 0.941 -27.335 786 HA ARG 109 HA ARG 109 17.180 -0.595 -27.313 787 HB2 ARG 109 HB2 ARG 109 16.445 1.565 -29.319 788 HB3 ARG 109 HB3 ARG 109 18.055 0.889 -29.118 789 HG2 ARG 109 HG2 ARG 109 15.632 -0.763 -29.866 790 HG3 ARG 109 HG3 ARG 109 16.755 -0.032 -31.039 791 HD2 ARG 109 HD2 ARG 109 18.598 -1.259 -29.951 792 HD3 ARG 109 HD3 ARG 109 17.395 -2.070 -28.922 793 HE ARG 109 HE ARG 109 17.899 -2.516 -31.769 794 HH11 ARG 109 HH11 ARG 109 15.778 -3.053 -29.020 795 HH12 ARG 109 HH12 ARG 109 15.001 -4.449 -29.732 796 HH21 ARG 109 HH21 ARG 109 16.883 -4.329 -32.683 797 HH22 ARG 109 HH22 ARG 109 15.625 -5.172 -31.807 798 H ASN 110 H ASN 110 19.085 1.041 -27.240 799 HA ASN 110 HA ASN 110 18.550 2.826 -24.968 800 HB2 ASN 110 HB2 ASN 110 21.085 2.053 -26.442 801 HB3 ASN 110 HB3 ASN 110 21.052 3.215 -25.123 802 HD21 ASN 110 HD21 ASN 110 21.462 -0.585 -24.259 803 HD22 ASN 110 HD22 ASN 110 21.845 0.187 -25.761 Start of MODEL 3 1 H1 MET 1 1H MET 1 1.852 1.842 4.203 2 H2 MET 1 2H MET 1 2.802 2.791 3.274 3 H3 MET 1 3H MET 1 1.178 2.889 3.146 4 HA MET 1 HA MET 1 2.831 0.598 2.442 5 HB2 MET 1 HB2 MET 1 -0.171 1.023 2.167 6 HB3 MET 1 HB3 MET 1 0.723 -0.367 1.569 7 HG2 MET 1 HG2 MET 1 0.466 0.426 4.484 8 HG3 MET 1 HG3 MET 1 -0.460 -0.838 3.673 9 HE1 MET 1 HE1 MET 1 2.143 -3.601 2.966 10 HE2 MET 1 HE2 MET 1 0.416 -3.174 3.050 11 HE3 MET 1 HE3 MET 1 1.473 -2.384 1.854 12 H GLY 2 H GLY 2 2.615 0.047 0.127 13 HA2 GLY 2 HA2 GLY 2 2.055 0.825 -2.133 14 HA3 GLY 2 HA3 GLY 2 2.202 2.478 -1.568 15 H LYS 3 H LYS 3 3.561 1.191 -3.807 16 HA LYS 3 HA LYS 3 6.385 1.173 -2.846 17 HB2 LYS 3 HB2 LYS 3 5.630 -0.857 -4.063 18 HB3 LYS 3 HB3 LYS 3 5.202 0.131 -5.453 19 HG2 LYS 3 HG2 LYS 3 7.522 0.724 -5.824 20 HG3 LYS 3 HG3 LYS 3 8.010 -0.091 -4.331 21 HD2 LYS 3 HD2 LYS 3 6.618 -1.525 -6.618 22 HD3 LYS 3 HD3 LYS 3 8.378 -1.401 -6.482 23 HE2 LYS 3 HE2 LYS 3 8.224 -2.460 -4.211 24 HE3 LYS 3 HE3 LYS 3 6.493 -2.688 -4.475 25 HZ1 LYS 3 HZ1 LYS 3 7.735 -4.647 -5.030 26 HZ2 LYS 3 HZ2 LYS 3 7.022 -4.038 -6.387 27 HZ3 LYS 3 HZ3 LYS 3 8.639 -3.826 -6.139 28 H ASP 4 H ASP 4 7.496 2.955 -3.091 29 HA ASP 4 HA ASP 4 6.672 5.208 -4.583 30 HB2 ASP 4 HB2 ASP 4 8.411 5.168 -2.749 31 HB3 ASP 4 HB3 ASP 4 9.537 4.444 -3.889 32 H TYR 5 H TYR 5 6.475 5.509 -6.672 33 HA TYR 5 HA TYR 5 7.503 3.661 -8.610 34 HB2 TYR 5 HB2 TYR 5 6.405 6.479 -8.966 35 HB3 TYR 5 HB3 TYR 5 6.706 5.346 -10.275 36 HD1 TYR 5 HD1 TYR 5 5.693 3.342 -7.644 37 HD2 TYR 5 HD2 TYR 5 4.141 6.234 -10.408 38 HE1 TYR 5 HE1 TYR 5 3.424 2.404 -7.353 39 HE2 TYR 5 HE2 TYR 5 1.872 5.296 -10.117 40 HH TYR 5 HH TYR 5 1.194 2.432 -9.014 41 H TYR 6 H TYR 6 8.821 6.501 -7.117 42 HA TYR 6 HA TYR 6 10.772 6.994 -9.235 43 HB2 TYR 6 HB2 TYR 6 10.698 8.072 -6.388 44 HB3 TYR 6 HB3 TYR 6 11.667 8.697 -7.716 45 HD1 TYR 6 HD1 TYR 6 8.940 9.425 -5.825 46 HD2 TYR 6 HD2 TYR 6 10.032 9.046 -9.957 47 HE1 TYR 6 HE1 TYR 6 7.099 10.951 -6.451 48 HE2 TYR 6 HE2 TYR 6 8.192 10.573 -10.583 49 HH TYR 6 HH TYR 6 6.143 12.094 -8.116 50 H GLN 7 H GLN 7 10.679 5.280 -6.154 51 HA GLN 7 HA GLN 7 13.491 4.504 -6.351 52 HB2 GLN 7 HB2 GLN 7 11.201 3.463 -4.637 53 HB3 GLN 7 HB3 GLN 7 12.858 2.887 -4.520 54 HG2 GLN 7 HG2 GLN 7 13.625 5.093 -3.854 55 HG3 GLN 7 HG3 GLN 7 11.974 5.743 -4.057 56 HE21 GLN 7 HE21 GLN 7 11.113 5.057 -0.781 57 HE22 GLN 7 HE22 GLN 7 10.965 6.048 -2.195 58 H THR 8 H THR 8 10.521 3.488 -7.745 59 HA THR 8 HA THR 8 11.495 0.843 -8.506 60 HB THR 8 HB THR 8 9.206 2.488 -9.669 61 HG1 THR 8 HG1 THR 8 8.943 1.974 -7.437 62 HG21 THR 8 HG21 THR 8 8.403 0.310 -10.494 63 HG22 THR 8 HG22 THR 8 10.005 0.694 -11.168 64 HG23 THR 8 HG23 THR 8 9.855 -0.479 -9.839 65 H LEU 9 H LEU 9 11.517 4.095 -9.856 66 HA LEU 9 HA LEU 9 12.804 3.072 -12.326 67 HB2 LEU 9 HB2 LEU 9 11.396 5.573 -11.525 68 HB3 LEU 9 HB3 LEU 9 12.731 5.759 -12.667 69 HG LEU 9 HG LEU 9 11.569 4.006 -14.116 70 HD11 LEU 9 HD11 LEU 9 9.171 3.684 -13.705 71 HD12 LEU 9 HD12 LEU 9 10.158 3.046 -12.369 72 HD13 LEU 9 HD13 LEU 9 9.308 4.599 -12.185 73 HD21 LEU 9 HD21 LEU 9 9.976 5.674 -15.006 74 HD22 LEU 9 HD22 LEU 9 10.124 6.618 -13.504 75 HD23 LEU 9 HD23 LEU 9 11.528 6.435 -14.582 76 H GLY 10 H GLY 10 13.614 4.271 -9.263 77 HA2 GLY 10 HA2 GLY 10 15.722 4.662 -8.342 78 HA3 GLY 10 HA3 GLY 10 16.445 4.309 -9.900 79 H LEU 11 H LEU 11 13.904 6.716 -9.446 80 HA LEU 11 HA LEU 11 15.910 8.840 -10.071 81 HB2 LEU 11 HB2 LEU 11 12.933 8.714 -10.670 82 HB3 LEU 11 HB3 LEU 11 13.962 10.114 -10.981 83 HG LEU 11 HG LEU 11 14.288 7.387 -12.283 84 HD11 LEU 11 HD11 LEU 11 13.419 8.508 -14.286 85 HD12 LEU 11 HD12 LEU 11 12.225 8.503 -12.966 86 HD13 LEU 11 HD13 LEU 11 13.136 9.987 -13.337 87 HD21 LEU 11 HD21 LEU 11 15.869 8.598 -13.747 88 HD22 LEU 11 HD22 LEU 11 15.622 10.079 -12.790 89 HD23 LEU 11 HD23 LEU 11 16.395 8.658 -12.047 90 H ALA 12 H ALA 12 15.492 10.988 -9.163 91 HA ALA 12 HA ALA 12 14.225 10.979 -6.532 92 HB1 ALA 12 HB1 ALA 12 14.740 13.399 -6.548 93 HB2 ALA 12 HB2 ALA 12 16.165 12.419 -6.970 94 HB3 ALA 12 HB3 ALA 12 15.260 13.269 -8.244 95 H ARG 13 H ARG 13 12.430 12.263 -5.910 96 HA ARG 13 HA ARG 13 10.119 11.881 -7.425 97 HB2 ARG 13 HB2 ARG 13 10.093 12.471 -5.042 98 HB3 ARG 13 HB3 ARG 13 10.689 14.082 -5.409 99 HG2 ARG 13 HG2 ARG 13 8.632 14.617 -6.597 100 HG3 ARG 13 HG3 ARG 13 8.029 12.964 -6.328 101 HD2 ARG 13 HD2 ARG 13 8.118 13.333 -3.925 102 HD3 ARG 13 HD3 ARG 13 8.696 14.991 -4.207 103 HE ARG 13 HE ARG 13 6.280 14.564 -5.637 104 HH11 ARG 13 HH11 ARG 13 7.485 14.967 -2.362 105 HH12 ARG 13 HH12 ARG 13 5.990 15.651 -1.763 106 HH21 ARG 13 HH21 ARG 13 4.345 15.453 -4.848 107 HH22 ARG 13 HH22 ARG 13 4.213 15.927 -3.168 108 H GLY 14 H GLY 14 12.524 14.409 -7.697 109 HA2 GLY 14 HA2 GLY 14 10.641 16.099 -9.282 110 HA3 GLY 14 HA3 GLY 14 12.092 16.670 -8.477 111 H ALA 15 H ALA 15 12.062 13.659 -10.289 112 HA ALA 15 HA ALA 15 14.208 14.532 -11.996 113 HB1 ALA 15 HB1 ALA 15 13.888 12.354 -13.124 114 HB2 ALA 15 HB2 ALA 15 13.934 12.179 -11.353 115 HB3 ALA 15 HB3 ALA 15 12.378 12.114 -12.213 116 H SER 16 H SER 16 13.996 15.991 -13.530 117 HA SER 16 HA SER 16 11.715 16.769 -14.919 118 HB2 SER 16 HB2 SER 16 13.183 17.639 -16.613 119 HB3 SER 16 HB3 SER 16 13.971 17.835 -15.055 120 HG SER 16 HG SER 16 15.456 16.995 -16.342 121 H ASP 17 H ASP 17 11.211 16.411 -17.264 122 HA ASP 17 HA ASP 17 10.243 13.735 -17.389 123 HB2 ASP 17 HB2 ASP 17 10.350 15.950 -19.469 124 HB3 ASP 17 HB3 ASP 17 9.564 14.404 -19.759 125 H GLU 18 H GLU 18 13.153 15.220 -18.586 126 HA GLU 18 HA GLU 18 13.688 13.317 -20.682 127 HB2 GLU 18 HB2 GLU 18 14.749 15.529 -20.659 128 HB3 GLU 18 HB3 GLU 18 15.542 15.170 -19.132 129 HG2 GLU 18 HG2 GLU 18 17.126 14.963 -20.917 130 HG3 GLU 18 HG3 GLU 18 16.824 13.369 -20.231 131 H GLU 19 H GLU 19 14.728 13.590 -17.284 132 HA GLU 19 HA GLU 19 16.324 11.186 -17.348 133 HB2 GLU 19 HB2 GLU 19 15.083 12.776 -15.073 134 HB3 GLU 19 HB3 GLU 19 16.084 11.355 -14.811 135 HG2 GLU 19 HG2 GLU 19 16.947 13.906 -16.192 136 HG3 GLU 19 HG3 GLU 19 17.346 13.425 -14.545 137 H ILE 20 H ILE 20 12.940 11.901 -16.603 138 HA ILE 20 HA ILE 20 12.196 9.314 -15.682 139 HB ILE 20 HB ILE 20 10.644 11.482 -17.144 140 HG12 ILE 20 HG12 ILE 20 10.457 10.528 -14.280 141 HG13 ILE 20 HG13 ILE 20 11.487 11.855 -14.797 142 HG21 ILE 20 HG21 ILE 20 8.606 10.225 -16.567 143 HG22 ILE 20 HG22 ILE 20 9.640 9.293 -17.674 144 HG23 ILE 20 HG23 ILE 20 9.601 8.889 -15.943 145 HD11 ILE 20 HD11 ILE 20 9.383 12.677 -13.895 146 HD12 ILE 20 HD12 ILE 20 9.522 13.075 -15.625 147 HD13 ILE 20 HD13 ILE 20 8.478 11.732 -15.102 148 H LYS 21 H LYS 21 12.429 10.676 -18.960 149 HA LYS 21 HA LYS 21 11.353 8.337 -20.259 150 HB2 LYS 21 HB2 LYS 21 12.998 10.689 -21.251 151 HB3 LYS 21 HB3 LYS 21 12.474 9.391 -22.315 152 HG2 LYS 21 HG2 LYS 21 10.129 9.899 -21.834 153 HG3 LYS 21 HG3 LYS 21 10.619 11.156 -20.691 154 HD2 LYS 21 HD2 LYS 21 11.763 12.371 -22.530 155 HD3 LYS 21 HD3 LYS 21 11.236 11.122 -23.669 156 HE2 LYS 21 HE2 LYS 21 8.880 11.650 -23.177 157 HE3 LYS 21 HE3 LYS 21 9.385 12.872 -22.008 158 HZ1 LYS 21 HZ1 LYS 21 8.840 13.842 -24.117 159 HZ2 LYS 21 HZ2 LYS 21 10.443 14.065 -23.800 160 HZ3 LYS 21 HZ3 LYS 21 9.970 12.924 -24.892 161 H ARG 22 H ARG 22 14.646 9.458 -19.527 162 HA ARG 22 HA ARG 22 15.997 7.305 -20.840 163 HB2 ARG 22 HB2 ARG 22 16.786 9.080 -18.512 164 HB3 ARG 22 HB3 ARG 22 17.865 7.886 -19.215 165 HG2 ARG 22 HG2 ARG 22 17.900 9.037 -21.319 166 HG3 ARG 22 HG3 ARG 22 16.615 10.149 -20.788 167 HD2 ARG 22 HD2 ARG 22 18.072 11.040 -19.080 168 HD3 ARG 22 HD3 ARG 22 19.354 9.905 -19.565 169 HE ARG 22 HE ARG 22 18.687 11.273 -21.871 170 HH11 ARG 22 HH11 ARG 22 19.826 12.135 -18.663 171 HH12 ARG 22 HH12 ARG 22 20.685 13.556 -19.212 172 HH21 ARG 22 HH21 ARG 22 19.805 13.121 -22.574 173 HH22 ARG 22 HH22 ARG 22 20.673 14.115 -21.427 174 H ALA 23 H ALA 23 15.308 7.793 -17.349 175 HA ALA 23 HA ALA 23 15.945 5.234 -16.438 176 HB1 ALA 23 HB1 ALA 23 14.300 5.635 -14.635 177 HB2 ALA 23 HB2 ALA 23 15.299 7.074 -14.948 178 HB3 ALA 23 HB3 ALA 23 13.630 6.999 -15.559 179 H TYR 24 H TYR 24 12.919 6.341 -17.946 180 HA TYR 24 HA TYR 24 11.493 3.893 -17.639 181 HB2 TYR 24 HB2 TYR 24 10.353 5.970 -18.237 182 HB3 TYR 24 HB3 TYR 24 11.258 6.082 -19.741 183 HD1 TYR 24 HD1 TYR 24 9.121 3.558 -17.961 184 HD2 TYR 24 HD2 TYR 24 10.148 5.485 -21.654 185 HE1 TYR 24 HE1 TYR 24 7.353 2.277 -19.122 186 HE2 TYR 24 HE2 TYR 24 8.381 4.204 -22.815 187 HH TYR 24 HH TYR 24 6.341 1.877 -21.059 188 H ARG 25 H ARG 25 13.542 5.097 -20.300 189 HA ARG 25 HA ARG 25 13.272 2.899 -22.040 190 HB2 ARG 25 HB2 ARG 25 14.457 4.971 -22.636 191 HB3 ARG 25 HB3 ARG 25 15.734 4.591 -21.491 192 HG2 ARG 25 HG2 ARG 25 16.151 2.477 -22.846 193 HG3 ARG 25 HG3 ARG 25 15.073 3.182 -24.075 194 HD2 ARG 25 HD2 ARG 25 17.501 4.559 -22.956 195 HD3 ARG 25 HD3 ARG 25 17.484 3.594 -24.449 196 HE ARG 25 HE ARG 25 15.433 5.437 -24.728 197 HH11 ARG 25 HH11 ARG 25 18.908 5.544 -24.223 198 HH12 ARG 25 HH12 ARG 25 19.110 7.062 -25.068 199 HH21 ARG 25 HH21 ARG 25 15.709 7.409 -25.821 200 HH22 ARG 25 HH22 ARG 25 17.300 8.119 -25.973 201 H ARG 26 H ARG 26 15.550 3.378 -19.331 202 HA ARG 26 HA ARG 26 17.016 0.968 -19.800 203 HB2 ARG 26 HB2 ARG 26 16.665 2.677 -17.319 204 HB3 ARG 26 HB3 ARG 26 17.743 1.290 -17.386 205 HG2 ARG 26 HG2 ARG 26 19.064 2.354 -19.136 206 HG3 ARG 26 HG3 ARG 26 17.941 3.736 -19.163 207 HD2 ARG 26 HD2 ARG 26 18.489 4.232 -16.855 208 HD3 ARG 26 HD3 ARG 26 19.600 2.844 -16.815 209 HE ARG 26 HE ARG 26 20.396 4.417 -18.968 210 HH11 ARG 26 HH11 ARG 26 20.075 4.778 -15.488 211 HH12 ARG 26 HH12 ARG 26 21.375 5.941 -15.363 212 HH21 ARG 26 HH21 ARG 26 22.082 5.929 -18.792 213 HH22 ARG 26 HH22 ARG 26 22.512 6.594 -17.232 214 H GLN 27 H GLN 27 14.191 1.725 -17.790 215 HA GLN 27 HA GLN 27 14.195 -0.862 -16.473 216 HB2 GLN 27 HB2 GLN 27 12.091 1.329 -16.657 217 HB3 GLN 27 HB3 GLN 27 11.907 -0.126 -15.688 218 HG2 GLN 27 HG2 GLN 27 13.934 2.084 -15.334 219 HG3 GLN 27 HG3 GLN 27 12.607 1.606 -14.237 220 HE21 GLN 27 HE21 GLN 27 14.726 -0.383 -12.364 221 HE22 GLN 27 HE22 GLN 27 13.421 0.753 -12.445 222 H ALA 28 H ALA 28 12.431 0.597 -19.189 223 HA ALA 28 HA ALA 28 10.715 -1.653 -19.642 224 HB1 ALA 28 HB1 ALA 28 10.351 -0.642 -21.870 225 HB2 ALA 28 HB2 ALA 28 10.237 0.568 -20.571 226 HB3 ALA 28 HB3 ALA 28 11.703 0.477 -21.575 227 H LEU 29 H LEU 29 13.956 -0.807 -20.793 228 HA LEU 29 HA LEU 29 14.209 -3.161 -22.463 229 HB2 LEU 29 HB2 LEU 29 16.249 -1.285 -21.226 230 HB3 LEU 29 HB3 LEU 29 16.678 -2.620 -22.300 231 HG LEU 29 HG LEU 29 14.918 -0.262 -23.064 232 HD11 LEU 29 HD11 LEU 29 16.861 0.451 -24.382 233 HD12 LEU 29 HD12 LEU 29 17.228 0.404 -22.642 234 HD13 LEU 29 HD13 LEU 29 17.811 -0.895 -23.712 235 HD21 LEU 29 HD21 LEU 29 15.202 -1.166 -25.347 236 HD22 LEU 29 HD22 LEU 29 16.130 -2.536 -24.690 237 HD23 LEU 29 HD23 LEU 29 14.407 -2.352 -24.285 238 H ARG 30 H ARG 30 14.830 -2.389 -19.080 239 HA ARG 30 HA ARG 30 16.271 -4.744 -18.390 240 HB2 ARG 30 HB2 ARG 30 16.012 -2.764 -16.911 241 HB3 ARG 30 HB3 ARG 30 14.314 -3.157 -16.693 242 HG2 ARG 30 HG2 ARG 30 14.961 -5.305 -15.642 243 HG3 ARG 30 HG3 ARG 30 16.671 -4.842 -15.815 244 HD2 ARG 30 HD2 ARG 30 14.583 -3.293 -14.299 245 HD3 ARG 30 HD3 ARG 30 15.787 -4.393 -13.586 246 HE ARG 30 HE ARG 30 16.214 -1.697 -14.578 247 HH11 ARG 30 HH11 ARG 30 17.718 -4.773 -13.791 248 HH12 ARG 30 HH12 ARG 30 19.304 -4.078 -13.547 249 HH21 ARG 30 HH21 ARG 30 18.279 -0.807 -14.260 250 HH22 ARG 30 HH22 ARG 30 19.624 -1.833 -13.812 251 H TYR 31 H TYR 31 12.808 -4.091 -18.730 252 HA TYR 31 HA TYR 31 12.258 -6.931 -18.001 253 HB2 TYR 31 HB2 TYR 31 10.383 -4.534 -18.126 254 HB3 TYR 31 HB3 TYR 31 9.896 -6.174 -17.722 255 HD1 TYR 31 HD1 TYR 31 10.829 -3.072 -16.407 256 HD2 TYR 31 HD2 TYR 31 11.318 -7.284 -15.752 257 HE1 TYR 31 HE1 TYR 31 11.348 -2.642 -14.029 258 HE2 TYR 31 HE2 TYR 31 11.837 -6.854 -13.374 259 HH TYR 31 HH TYR 31 11.459 -3.692 -11.951 260 H HIS 32 H HIS 32 13.045 -5.368 -20.666 261 HA HIS 32 HA HIS 32 11.174 -6.094 -22.643 262 HB2 HIS 32 HB2 HIS 32 13.427 -4.926 -22.949 263 HB3 HIS 32 HB3 HIS 32 14.168 -6.518 -22.882 264 HD2 HIS 32 HD2 HIS 32 12.677 -4.187 -25.463 265 HE1 HIS 32 HE1 HIS 32 12.641 -8.072 -27.218 266 HE2 HIS 32 HE2 HIS 32 12.372 -5.573 -27.646 267 HA PRO 33 HA PRO 33 10.456 -10.315 -22.191 268 HB2 PRO 33 HB2 PRO 33 10.389 -10.195 -25.242 269 HB3 PRO 33 HB3 PRO 33 9.263 -11.004 -24.143 270 HG2 PRO 33 HG2 PRO 33 8.550 -8.651 -25.152 271 HG3 PRO 33 HG3 PRO 33 8.262 -8.959 -23.437 272 HD2 PRO 33 HD2 PRO 33 10.463 -7.336 -24.752 273 HD3 PRO 33 HD3 PRO 33 9.556 -7.005 -23.223 274 H ASP 34 H ASP 34 12.806 -9.138 -24.582 275 HA ASP 34 HA ASP 34 14.125 -11.789 -24.682 276 HB2 ASP 34 HB2 ASP 34 14.585 -9.220 -26.249 277 HB3 ASP 34 HB3 ASP 34 15.550 -10.676 -26.447 278 H LYS 35 H LYS 35 14.159 -9.502 -22.491 279 HA LYS 35 HA LYS 35 17.118 -9.675 -22.099 280 HB2 LYS 35 HB2 LYS 35 15.234 -7.410 -21.330 281 HB3 LYS 35 HB3 LYS 35 16.914 -7.518 -20.825 282 HG2 LYS 35 HG2 LYS 35 15.975 -7.349 -23.704 283 HG3 LYS 35 HG3 LYS 35 16.581 -5.997 -22.736 284 HD2 LYS 35 HD2 LYS 35 18.740 -7.217 -22.439 285 HD3 LYS 35 HD3 LYS 35 18.129 -8.504 -23.489 286 HE2 LYS 35 HE2 LYS 35 17.858 -6.860 -25.328 287 HE3 LYS 35 HE3 LYS 35 18.497 -5.590 -24.281 288 HZ1 LYS 35 HZ1 LYS 35 20.182 -6.484 -25.711 289 HZ2 LYS 35 HZ2 LYS 35 20.552 -6.821 -24.139 290 HZ3 LYS 35 HZ3 LYS 35 19.956 -8.006 -25.119 291 H ASN 36 H ASN 36 13.914 -9.649 -20.587 292 HA ASN 36 HA ASN 36 15.011 -11.265 -18.370 293 HB2 ASN 36 HB2 ASN 36 15.216 -8.901 -17.626 294 HB3 ASN 36 HB3 ASN 36 13.490 -8.682 -17.882 295 HD21 ASN 36 HD21 ASN 36 14.811 -10.085 -14.417 296 HD22 ASN 36 HD22 ASN 36 15.788 -9.311 -15.619 297 H LYS 37 H LYS 37 13.794 -12.989 -18.252 298 HA LYS 37 HA LYS 37 10.850 -12.525 -18.124 299 HB2 LYS 37 HB2 LYS 37 12.265 -14.869 -19.456 300 HB3 LYS 37 HB3 LYS 37 10.538 -14.806 -19.132 301 HG2 LYS 37 HG2 LYS 37 10.356 -12.804 -20.595 302 HG3 LYS 37 HG3 LYS 37 12.082 -12.941 -20.956 303 HD2 LYS 37 HD2 LYS 37 10.114 -15.203 -21.432 304 HD3 LYS 37 HD3 LYS 37 10.497 -13.984 -22.657 305 HE2 LYS 37 HE2 LYS 37 12.928 -14.605 -22.413 306 HE3 LYS 37 HE3 LYS 37 12.436 -15.920 -21.343 307 HZ1 LYS 37 HZ1 LYS 37 12.716 -16.669 -23.590 308 HZ2 LYS 37 HZ2 LYS 37 11.135 -16.822 -23.146 309 HZ3 LYS 37 HZ3 LYS 37 11.596 -15.594 -24.146 310 H GLU 38 H GLU 38 11.020 -12.390 -15.870 311 HA GLU 38 HA GLU 38 11.759 -14.966 -14.546 312 HB2 GLU 38 HB2 GLU 38 12.303 -12.126 -13.590 313 HB3 GLU 38 HB3 GLU 38 12.528 -13.562 -12.601 314 HG2 GLU 38 HG2 GLU 38 14.194 -14.402 -14.228 315 HG3 GLU 38 HG3 GLU 38 13.991 -12.929 -15.172 316 HA PRO 39 HA PRO 39 7.861 -15.024 -12.586 317 HB2 PRO 39 HB2 PRO 39 9.432 -15.609 -10.054 318 HB3 PRO 39 HB3 PRO 39 8.055 -16.482 -10.736 319 HG2 PRO 39 HG2 PRO 39 10.482 -17.525 -11.044 320 HG3 PRO 39 HG3 PRO 39 9.373 -17.535 -12.418 321 HD2 PRO 39 HD2 PRO 39 11.669 -15.620 -11.823 322 HD3 PRO 39 HD3 PRO 39 11.228 -16.417 -13.386 323 H GLY 40 H GLY 40 6.829 -13.162 -12.178 324 HA2 GLY 40 HA2 GLY 40 6.118 -11.461 -10.638 325 HA3 GLY 40 HA3 GLY 40 7.695 -11.501 -9.870 326 H ALA 41 H ALA 41 8.909 -11.563 -12.702 327 HA ALA 41 HA ALA 41 9.481 -8.773 -12.843 328 HB1 ALA 41 HB1 ALA 41 10.624 -9.332 -14.965 329 HB2 ALA 41 HB2 ALA 41 11.033 -10.485 -13.672 330 HB3 ALA 41 HB3 ALA 41 9.870 -10.943 -14.937 331 H GLU 42 H GLU 42 7.212 -10.829 -14.635 332 HA GLU 42 HA GLU 42 6.198 -8.946 -16.453 333 HB2 GLU 42 HB2 GLU 42 5.478 -11.309 -16.373 334 HB3 GLU 42 HB3 GLU 42 4.666 -11.026 -14.839 335 HG2 GLU 42 HG2 GLU 42 3.117 -9.471 -15.923 336 HG3 GLU 42 HG3 GLU 42 3.949 -9.696 -17.460 337 H GLU 43 H GLU 43 5.352 -9.418 -13.019 338 HA GLU 43 HA GLU 43 3.453 -7.224 -13.016 339 HB2 GLU 43 HB2 GLU 43 4.828 -8.710 -10.742 340 HB3 GLU 43 HB3 GLU 43 3.556 -7.517 -10.521 341 HG2 GLU 43 HG2 GLU 43 3.286 -10.132 -12.021 342 HG3 GLU 43 HG3 GLU 43 2.718 -9.810 -10.384 343 H LYS 44 H LYS 44 6.877 -7.612 -12.239 344 HA LYS 44 HA LYS 44 7.249 -4.991 -11.131 345 HB2 LYS 44 HB2 LYS 44 9.164 -6.914 -12.503 346 HB3 LYS 44 HB3 LYS 44 9.675 -5.389 -11.791 347 HG2 LYS 44 HG2 LYS 44 8.902 -6.136 -9.582 348 HG3 LYS 44 HG3 LYS 44 8.337 -7.657 -10.286 349 HD2 LYS 44 HD2 LYS 44 10.649 -8.186 -11.000 350 HD3 LYS 44 HD3 LYS 44 11.213 -6.668 -10.286 351 HE2 LYS 44 HE2 LYS 44 10.444 -7.423 -8.062 352 HE3 LYS 44 HE3 LYS 44 9.868 -8.934 -8.768 353 HZ1 LYS 44 HZ1 LYS 44 12.023 -9.188 -7.779 354 HZ2 LYS 44 HZ2 LYS 44 12.127 -9.430 -9.408 355 HZ3 LYS 44 HZ3 LYS 44 12.666 -8.018 -8.746 356 H PHE 45 H PHE 45 7.080 -6.223 -14.412 357 HA PHE 45 HA PHE 45 7.964 -3.735 -15.631 358 HB2 PHE 45 HB2 PHE 45 7.973 -6.079 -16.695 359 HB3 PHE 45 HB3 PHE 45 6.243 -5.877 -16.921 360 HD1 PHE 45 HD1 PHE 45 7.522 -2.674 -17.167 361 HD2 PHE 45 HD2 PHE 45 7.410 -6.363 -19.319 362 HE1 PHE 45 HE1 PHE 45 7.938 -1.454 -19.276 363 HE2 PHE 45 HE2 PHE 45 7.829 -5.147 -21.430 364 HZ PHE 45 HZ PHE 45 8.092 -2.691 -21.407 365 H LYS 46 H LYS 46 4.839 -5.192 -14.772 366 HA LYS 46 HA LYS 46 3.197 -3.065 -15.737 367 HB2 LYS 46 HB2 LYS 46 2.850 -4.998 -13.416 368 HB3 LYS 46 HB3 LYS 46 1.609 -3.853 -13.907 369 HG2 LYS 46 HG2 LYS 46 1.484 -4.901 -16.122 370 HG3 LYS 46 HG3 LYS 46 2.773 -6.027 -15.673 371 HD2 LYS 46 HD2 LYS 46 1.326 -6.834 -13.780 372 HD3 LYS 46 HD3 LYS 46 0.025 -5.803 -14.394 373 HE2 LYS 46 HE2 LYS 46 0.021 -7.018 -16.520 374 HE3 LYS 46 HE3 LYS 46 1.393 -7.997 -15.994 375 HZ1 LYS 46 HZ1 LYS 46 -0.676 -9.152 -15.713 376 HZ2 LYS 46 HZ2 LYS 46 0.013 -8.881 -14.239 377 HZ3 LYS 46 HZ3 LYS 46 -1.267 -7.966 -14.732 378 H GLU 47 H GLU 47 4.917 -3.528 -12.655 379 HA GLU 47 HA GLU 47 4.093 -1.154 -11.370 380 HB2 GLU 47 HB2 GLU 47 6.718 -2.682 -11.307 381 HB3 GLU 47 HB3 GLU 47 6.426 -1.275 -10.294 382 HG2 GLU 47 HG2 GLU 47 4.538 -2.397 -9.227 383 HG3 GLU 47 HG3 GLU 47 4.750 -3.794 -10.282 384 H ILE 48 H ILE 48 6.600 -1.685 -13.830 385 HA ILE 48 HA ILE 48 7.400 1.088 -13.948 386 HB ILE 48 HB ILE 48 7.633 -1.159 -15.994 387 HG12 ILE 48 HG12 ILE 48 8.848 -1.592 -13.931 388 HG13 ILE 48 HG13 ILE 48 9.948 -1.285 -15.265 389 HG21 ILE 48 HG21 ILE 48 9.293 0.286 -17.095 390 HG22 ILE 48 HG22 ILE 48 7.688 1.052 -17.082 391 HG23 ILE 48 HG23 ILE 48 8.937 1.587 -15.934 392 HD11 ILE 48 HD11 ILE 48 10.713 -0.199 -13.230 393 HD12 ILE 48 HD12 ILE 48 10.295 1.012 -14.466 394 HD13 ILE 48 HD13 ILE 48 9.182 0.700 -13.113 395 H ALA 49 H ALA 49 5.091 -0.910 -15.792 396 HA ALA 49 HA ALA 49 4.173 0.944 -17.639 397 HB1 ALA 49 HB1 ALA 49 1.990 -0.213 -17.511 398 HB2 ALA 49 HB2 ALA 49 3.347 -1.364 -17.517 399 HB3 ALA 49 HB3 ALA 49 2.502 -0.992 -15.997 400 H GLU 50 H GLU 50 2.870 0.525 -14.326 401 HA GLU 50 HA GLU 50 1.118 2.802 -14.591 402 HB2 GLU 50 HB2 GLU 50 0.664 0.894 -13.059 403 HB3 GLU 50 HB3 GLU 50 2.060 1.342 -12.089 404 HG2 GLU 50 HG2 GLU 50 1.032 3.416 -11.435 405 HG3 GLU 50 HG3 GLU 50 -0.303 3.167 -12.557 406 H ALA 51 H ALA 51 4.331 2.292 -13.180 407 HA ALA 51 HA ALA 51 4.763 4.794 -12.014 408 HB1 ALA 51 HB1 ALA 51 7.151 4.460 -12.566 409 HB2 ALA 51 HB2 ALA 51 6.405 2.971 -11.940 410 HB3 ALA 51 HB3 ALA 51 6.701 3.152 -13.685 411 H TYR 52 H TYR 52 5.691 3.951 -15.374 412 HA TYR 52 HA TYR 52 6.088 6.667 -16.161 413 HB2 TYR 52 HB2 TYR 52 6.936 4.541 -17.321 414 HB3 TYR 52 HB3 TYR 52 5.325 4.380 -18.007 415 HD1 TYR 52 HD1 TYR 52 7.814 7.156 -17.542 416 HD2 TYR 52 HD2 TYR 52 5.129 5.088 -20.174 417 HE1 TYR 52 HE1 TYR 52 8.445 8.679 -19.384 418 HE2 TYR 52 HE2 TYR 52 5.760 6.612 -22.015 419 HH TYR 52 HH TYR 52 7.108 8.261 -22.659 420 H ASP 53 H ASP 53 3.280 4.493 -16.470 421 HA ASP 53 HA ASP 53 1.425 6.064 -17.743 422 HB2 ASP 53 HB2 ASP 53 1.014 3.839 -16.606 423 HB3 ASP 53 HB3 ASP 53 0.898 4.697 -15.075 424 H VAL 54 H VAL 54 2.215 6.355 -14.253 425 HA VAL 54 HA VAL 54 0.879 8.833 -13.847 426 HB VAL 54 HB VAL 54 3.310 7.587 -12.506 427 HG11 VAL 54 HG11 VAL 54 3.034 9.240 -10.724 428 HG12 VAL 54 HG12 VAL 54 3.471 9.998 -12.273 429 HG13 VAL 54 HG13 VAL 54 1.791 10.072 -11.688 430 HG21 VAL 54 HG21 VAL 54 1.682 7.160 -10.692 431 HG22 VAL 54 HG22 VAL 54 0.402 7.926 -11.662 432 HG23 VAL 54 HG23 VAL 54 1.155 6.412 -12.218 433 H LEU 55 H LEU 55 4.179 8.080 -14.964 434 HA LEU 55 HA LEU 55 4.891 10.939 -14.799 435 HB2 LEU 55 HB2 LEU 55 6.590 8.556 -15.615 436 HB3 LEU 55 HB3 LEU 55 7.169 10.185 -15.251 437 HG LEU 55 HG LEU 55 5.934 8.233 -13.276 438 HD11 LEU 55 HD11 LEU 55 8.189 8.223 -12.310 439 HD12 LEU 55 HD12 LEU 55 8.191 7.639 -13.990 440 HD13 LEU 55 HD13 LEU 55 8.756 9.285 -13.619 441 HD21 LEU 55 HD21 LEU 55 6.515 9.950 -11.596 442 HD22 LEU 55 HD22 LEU 55 7.058 11.039 -12.894 443 HD23 LEU 55 HD23 LEU 55 5.342 10.582 -12.777 444 H SER 56 H SER 56 3.277 9.184 -16.992 445 HA SER 56 HA SER 56 4.328 10.930 -19.180 446 HB2 SER 56 HB2 SER 56 3.614 9.254 -20.794 447 HB3 SER 56 HB3 SER 56 4.752 8.548 -19.656 448 HG SER 56 HG SER 56 2.956 7.769 -18.493 449 H ASP 57 H ASP 57 1.543 9.555 -17.515 450 HA ASP 57 HA ASP 57 -0.248 11.254 -19.192 451 HB2 ASP 57 HB2 ASP 57 -0.679 8.764 -19.138 452 HB3 ASP 57 HB3 ASP 57 -1.001 8.900 -17.415 453 HA PRO 58 HA PRO 58 -0.232 13.879 -15.692 454 HB2 PRO 58 HB2 PRO 58 -2.540 15.107 -17.248 455 HB3 PRO 58 HB3 PRO 58 -1.149 15.909 -16.508 456 HG2 PRO 58 HG2 PRO 58 -1.127 15.527 -19.140 457 HG3 PRO 58 HG3 PRO 58 0.348 15.208 -18.223 458 HD2 PRO 58 HD2 PRO 58 -1.724 13.240 -19.270 459 HD3 PRO 58 HD3 PRO 58 0.080 13.109 -19.280 460 H ARG 59 H ARG 59 -2.772 11.867 -16.808 461 HA ARG 59 HA ARG 59 -4.846 12.821 -15.001 462 HB2 ARG 59 HB2 ARG 59 -4.623 10.372 -16.776 463 HB3 ARG 59 HB3 ARG 59 -6.028 10.711 -15.779 464 HG2 ARG 59 HG2 ARG 59 -6.375 12.831 -16.997 465 HG3 ARG 59 HG3 ARG 59 -4.974 12.447 -18.026 466 HD2 ARG 59 HD2 ARG 59 -7.407 10.705 -17.730 467 HD3 ARG 59 HD3 ARG 59 -7.157 11.893 -19.029 468 HE ARG 59 HE ARG 59 -4.901 10.240 -18.983 469 HH11 ARG 59 HH11 ARG 59 -8.351 9.947 -19.576 470 HH12 ARG 59 HH12 ARG 59 -8.173 8.608 -20.689 471 HH21 ARG 59 HH21 ARG 59 -4.683 8.502 -20.428 472 HH22 ARG 59 HH22 ARG 59 -6.098 7.789 -21.172 473 H LYS 60 H LYS 60 -2.307 10.420 -14.912 474 HA LYS 60 HA LYS 60 -3.271 9.605 -12.208 475 HB2 LYS 60 HB2 LYS 60 -1.136 8.324 -13.961 476 HB3 LYS 60 HB3 LYS 60 -1.669 7.734 -12.393 477 HG2 LYS 60 HG2 LYS 60 -2.884 6.371 -13.768 478 HG3 LYS 60 HG3 LYS 60 -4.043 7.693 -13.565 479 HD2 LYS 60 HD2 LYS 60 -3.331 8.691 -15.684 480 HD3 LYS 60 HD3 LYS 60 -2.079 7.455 -15.874 481 HE2 LYS 60 HE2 LYS 60 -4.104 5.780 -15.656 482 HE3 LYS 60 HE3 LYS 60 -5.069 7.186 -16.112 483 HZ1 LYS 60 HZ1 LYS 60 -4.415 5.909 -18.017 484 HZ2 LYS 60 HZ2 LYS 60 -3.715 7.402 -18.082 485 HZ3 LYS 60 HZ3 LYS 60 -2.815 6.087 -17.656 486 H ARG 61 H ARG 61 -1.050 11.601 -13.830 487 HA ARG 61 HA ARG 61 1.085 11.724 -11.980 488 HB2 ARG 61 HB2 ARG 61 1.088 12.919 -14.129 489 HB3 ARG 61 HB3 ARG 61 -0.206 13.967 -13.570 490 HG2 ARG 61 HG2 ARG 61 1.468 14.586 -11.657 491 HG3 ARG 61 HG3 ARG 61 2.684 13.933 -12.781 492 HD2 ARG 61 HD2 ARG 61 2.413 16.331 -13.027 493 HD3 ARG 61 HD3 ARG 61 1.925 15.460 -14.500 494 HE ARG 61 HE ARG 61 -0.186 16.287 -14.248 495 HH11 ARG 61 HH11 ARG 61 1.473 16.524 -11.160 496 HH12 ARG 61 HH12 ARG 61 0.178 17.412 -10.390 497 HH21 ARG 61 HH21 ARG 61 -1.861 17.440 -13.237 498 HH22 ARG 61 HH22 ARG 61 -1.710 17.931 -11.564 499 H GLU 62 H GLU 62 -1.793 13.866 -12.112 500 HA GLU 62 HA GLU 62 -1.365 15.188 -9.679 501 HB2 GLU 62 HB2 GLU 62 -3.091 15.856 -11.310 502 HB3 GLU 62 HB3 GLU 62 -4.013 14.399 -10.963 503 HG2 GLU 62 HG2 GLU 62 -5.034 16.224 -9.825 504 HG3 GLU 62 HG3 GLU 62 -4.296 15.172 -8.619 505 H ILE 63 H ILE 63 -2.876 12.039 -10.283 506 HA ILE 63 HA ILE 63 -4.004 11.803 -7.642 507 HB ILE 63 HB ILE 63 -3.450 9.751 -9.821 508 HG12 ILE 63 HG12 ILE 63 -6.064 10.926 -8.855 509 HG13 ILE 63 HG13 ILE 63 -5.159 11.548 -10.225 510 HG21 ILE 63 HG21 ILE 63 -4.874 8.221 -8.518 511 HG22 ILE 63 HG22 ILE 63 -3.406 8.655 -7.612 512 HG23 ILE 63 HG23 ILE 63 -4.961 9.416 -7.202 513 HD11 ILE 63 HD11 ILE 63 -6.947 10.072 -10.953 514 HD12 ILE 63 HD12 ILE 63 -5.359 9.378 -11.359 515 HD13 ILE 63 HD13 ILE 63 -6.278 8.747 -9.971 516 H PHE 64 H PHE 64 -1.511 9.690 -9.100 517 HA PHE 64 HA PHE 64 -0.372 8.643 -6.829 518 HB2 PHE 64 HB2 PHE 64 0.430 8.014 -9.024 519 HB3 PHE 64 HB3 PHE 64 1.014 9.639 -9.345 520 HD1 PHE 64 HD1 PHE 64 1.533 6.675 -7.165 521 HD2 PHE 64 HD2 PHE 64 3.183 10.289 -8.737 522 HE1 PHE 64 HE1 PHE 64 3.747 6.056 -6.258 523 HE2 PHE 64 HE2 PHE 64 5.400 9.672 -7.834 524 HZ PHE 64 HZ PHE 64 5.681 7.555 -6.592 525 H ASP 65 H ASP 65 0.665 11.727 -8.342 526 HA ASP 65 HA ASP 65 2.623 12.387 -6.434 527 HB2 ASP 65 HB2 ASP 65 2.287 13.558 -8.613 528 HB3 ASP 65 HB3 ASP 65 0.827 14.302 -7.977 529 H ARG 66 H ARG 66 -0.867 13.079 -6.435 530 HA ARG 66 HA ARG 66 -0.750 14.855 -4.174 531 HB2 ARG 66 HB2 ARG 66 -2.593 14.867 -5.831 532 HB3 ARG 66 HB3 ARG 66 -3.097 13.275 -5.284 533 HG2 ARG 66 HG2 ARG 66 -4.538 14.932 -4.322 534 HG3 ARG 66 HG3 ARG 66 -3.539 14.233 -3.025 535 HD2 ARG 66 HD2 ARG 66 -3.721 16.631 -2.805 536 HD3 ARG 66 HD3 ARG 66 -2.046 16.145 -3.152 537 HE ARG 66 HE ARG 66 -3.416 16.762 -5.573 538 HH11 ARG 66 HH11 ARG 66 -2.010 18.283 -2.736 539 HH12 ARG 66 HH12 ARG 66 -1.658 19.785 -3.560 540 HH21 ARG 66 HH21 ARG 66 -2.955 18.717 -6.632 541 HH22 ARG 66 HH22 ARG 66 -2.193 20.032 -5.766 542 H TYR 67 H TYR 67 -1.852 11.460 -4.512 543 HA TYR 67 HA TYR 67 -1.476 11.186 -1.559 544 HB2 TYR 67 HB2 TYR 67 -3.554 9.818 -3.318 545 HB3 TYR 67 HB3 TYR 67 -3.314 9.515 -1.603 546 HD1 TYR 67 HD1 TYR 67 -5.254 11.238 -3.916 547 HD2 TYR 67 HD2 TYR 67 -3.334 11.766 -0.116 548 HE1 TYR 67 HE1 TYR 67 -6.828 13.064 -3.373 549 HE2 TYR 67 HE2 TYR 67 -4.909 13.591 0.427 550 HH TYR 67 HH TYR 67 -7.530 14.481 -1.797 551 H GLY 68 H GLY 68 -1.375 9.537 -4.709 552 HA2 GLY 68 HA2 GLY 68 0.631 8.098 -5.107 553 HA3 GLY 68 HA3 GLY 68 0.449 7.507 -3.467 554 H GLU 69 H GLU 69 -0.220 5.459 -3.507 555 HA GLU 69 HA GLU 69 -1.864 4.474 -5.731 556 HB2 GLU 69 HB2 GLU 69 -0.756 3.070 -3.264 557 HB3 GLU 69 HB3 GLU 69 -1.607 2.270 -4.578 558 HG2 GLU 69 HG2 GLU 69 0.146 2.862 -6.144 559 HG3 GLU 69 HG3 GLU 69 0.971 3.816 -4.913 560 H GLU 70 H GLU 70 -2.494 6.020 -2.846 561 HA GLU 70 HA GLU 70 -4.614 4.443 -1.763 562 HB2 GLU 70 HB2 GLU 70 -4.057 7.429 -1.572 563 HB3 GLU 70 HB3 GLU 70 -5.277 6.592 -0.623 564 HG2 GLU 70 HG2 GLU 70 -3.510 5.179 0.377 565 HG3 GLU 70 HG3 GLU 70 -2.299 6.062 -0.549 566 H GLY 71 H GLY 71 -4.481 6.763 -4.382 567 HA2 GLY 71 HA2 GLY 71 -7.468 6.655 -4.602 568 HA3 GLY 71 HA3 GLY 71 -6.493 8.019 -5.116 569 H LEU 72 H LEU 72 -4.420 5.959 -6.108 570 HA LEU 72 HA LEU 72 -5.475 5.852 -8.828 571 HB2 LEU 72 HB2 LEU 72 -3.105 6.413 -8.325 572 HB3 LEU 72 HB3 LEU 72 -2.871 4.786 -7.679 573 HG LEU 72 HG LEU 72 -3.220 3.810 -9.883 574 HD11 LEU 72 HD11 LEU 72 -3.583 5.234 -11.849 575 HD12 LEU 72 HD12 LEU 72 -4.921 5.368 -10.685 576 HD13 LEU 72 HD13 LEU 72 -3.703 6.661 -10.794 577 HD21 LEU 72 HD21 LEU 72 -1.256 4.785 -11.023 578 HD22 LEU 72 HD22 LEU 72 -1.341 6.207 -9.956 579 HD23 LEU 72 HD23 LEU 72 -0.960 4.607 -9.276 580 H LYS 73 H LYS 73 -4.545 3.482 -6.318 581 HA LYS 73 HA LYS 73 -5.994 1.381 -7.812 582 HB2 LYS 73 HB2 LYS 73 -3.949 0.714 -6.650 583 HB3 LYS 73 HB3 LYS 73 -4.559 1.354 -5.129 584 HG2 LYS 73 HG2 LYS 73 -6.259 -0.352 -5.007 585 HG3 LYS 73 HG3 LYS 73 -5.880 -0.916 -6.640 586 HD2 LYS 73 HD2 LYS 73 -3.612 -1.562 -5.897 587 HD3 LYS 73 HD3 LYS 73 -3.983 -0.989 -4.264 588 HE2 LYS 73 HE2 LYS 73 -5.823 -2.646 -4.111 589 HE3 LYS 73 HE3 LYS 73 -5.427 -3.228 -5.730 590 HZ1 LYS 73 HZ1 LYS 73 -4.444 -4.591 -4.038 591 HZ2 LYS 73 HZ2 LYS 73 -3.259 -3.849 -4.914 592 HZ3 LYS 73 HZ3 LYS 73 -3.629 -3.307 -3.401 593 H GLY 74 H GLY 74 -6.441 3.605 -5.143 594 HA2 GLY 74 HA2 GLY 74 -8.524 4.107 -4.099 595 HA3 GLY 74 HA3 GLY 74 -9.217 2.643 -4.769 596 H SER 75 H SER 75 -6.079 2.661 -3.174 597 HA SER 75 HA SER 75 -7.234 0.795 -1.158 598 HB2 SER 75 HB2 SER 75 -4.946 -0.053 -0.916 599 HB3 SER 75 HB3 SER 75 -5.476 -0.134 -2.589 600 HG SER 75 HG SER 75 -3.692 1.622 -1.359 601 H GLY 76 H GLY 76 -7.104 3.850 -1.122 602 HA2 GLY 76 HA2 GLY 76 -5.361 4.709 0.944 603 HA3 GLY 76 HA3 GLY 76 -6.912 5.433 0.559 604 HA PRO 77 HA PRO 77 -6.868 3.280 4.669 605 HB2 PRO 77 HB2 PRO 77 -7.469 5.448 6.277 606 HB3 PRO 77 HB3 PRO 77 -5.820 5.048 5.776 607 HG2 PRO 77 HG2 PRO 77 -7.763 7.046 4.541 608 HG3 PRO 77 HG3 PRO 77 -6.063 7.286 4.956 609 HD2 PRO 77 HD2 PRO 77 -6.792 6.709 2.411 610 HD3 PRO 77 HD3 PRO 77 -5.277 6.018 3.118 611 H SER 78 H SER 78 -9.126 5.463 3.114 612 HA SER 78 HA SER 78 -11.397 4.600 4.772 613 HB2 SER 78 HB2 SER 78 -12.704 6.118 3.445 614 HB3 SER 78 HB3 SER 78 -11.199 6.921 3.865 615 HG SER 78 HG SER 78 -10.642 6.955 1.886 616 H GLY 79 H GLY 79 -13.411 3.851 3.645 617 HA2 GLY 79 HA2 GLY 79 -12.681 1.788 1.594 618 HA3 GLY 79 HA3 GLY 79 -13.913 1.558 2.820 619 H GLY 80 H GLY 80 -14.444 4.639 2.216 620 HA2 GLY 80 HA2 GLY 80 -16.717 4.068 0.462 621 HA3 GLY 80 HA3 GLY 80 -16.351 5.597 1.237 622 H SER 81 H SER 81 -13.525 5.505 0.209 623 HA SER 81 HA SER 81 -14.111 6.472 -2.533 624 HB2 SER 81 HB2 SER 81 -11.936 7.523 -2.436 625 HB3 SER 81 HB3 SER 81 -12.824 7.913 -0.972 626 HG SER 81 HG SER 81 -11.652 6.486 0.147 627 H GLY 82 H GLY 82 -13.582 3.570 -1.304 628 HA2 GLY 82 HA2 GLY 82 -11.196 2.634 -2.616 629 HA3 GLY 82 HA3 GLY 82 -12.471 1.632 -1.945 630 H GLY 83 H GLY 83 -14.649 2.688 -3.485 631 HA2 GLY 83 HA2 GLY 83 -15.582 2.727 -5.631 632 HA3 GLY 83 HA3 GLY 83 -13.974 2.602 -6.320 633 H GLY 84 H GLY 84 -13.344 0.702 -7.174 634 HA2 GLY 84 HA2 GLY 84 -15.056 -1.693 -6.662 635 HA3 GLY 84 HA3 GLY 84 -14.071 -1.439 -8.089 636 H ALA 85 H ALA 85 -12.422 -0.373 -5.344 637 HA ALA 85 HA ALA 85 -10.493 -2.530 -5.622 638 HB1 ALA 85 HB1 ALA 85 -9.212 -1.276 -3.917 639 HB2 ALA 85 HB2 ALA 85 -9.757 -0.220 -5.241 640 HB3 ALA 85 HB3 ALA 85 -10.603 -0.196 -3.678 641 H ASN 86 H ASN 86 -13.272 -2.017 -3.719 642 HA ASN 86 HA ASN 86 -12.334 -3.991 -1.691 643 HB2 ASN 86 HB2 ASN 86 -14.704 -2.095 -1.691 644 HB3 ASN 86 HB3 ASN 86 -14.391 -3.290 -0.439 645 HD21 ASN 86 HD21 ASN 86 -12.908 0.225 0.138 646 HD22 ASN 86 HD22 ASN 86 -14.377 -0.226 -0.660 647 H GLY 87 H GLY 87 -13.603 -5.775 -1.115 648 HA2 GLY 87 HA2 GLY 87 -15.003 -7.583 -1.533 649 HA3 GLY 87 HA3 GLY 87 -15.986 -6.532 -2.536 650 H THR 88 H THR 88 -15.351 -6.181 -4.770 651 HA THR 88 HA THR 88 -14.651 -8.637 -6.055 652 HB THR 88 HB THR 88 -14.766 -5.812 -7.199 653 HG1 THR 88 HG1 THR 88 -16.843 -6.129 -7.040 654 HG21 THR 88 HG21 THR 88 -15.042 -6.950 -9.366 655 HG22 THR 88 HG22 THR 88 -13.477 -7.361 -8.627 656 HG23 THR 88 HG23 THR 88 -14.821 -8.525 -8.572 657 H SER 89 H SER 89 -12.832 -9.400 -6.963 658 HA SER 89 HA SER 89 -10.304 -8.579 -6.023 659 HB2 SER 89 HB2 SER 89 -10.692 -10.791 -6.960 660 HB3 SER 89 HB3 SER 89 -11.058 -10.105 -8.536 661 HG SER 89 HG SER 89 -8.914 -9.175 -8.418 662 H PHE 90 H PHE 90 -8.799 -7.146 -6.643 663 HA PHE 90 HA PHE 90 -9.130 -5.604 -9.116 664 HB2 PHE 90 HB2 PHE 90 -10.824 -4.667 -7.446 665 HB3 PHE 90 HB3 PHE 90 -9.460 -4.176 -6.453 666 HD1 PHE 90 HD1 PHE 90 -11.109 -3.692 -9.728 667 HD2 PHE 90 HD2 PHE 90 -8.182 -2.248 -6.971 668 HE1 PHE 90 HE1 PHE 90 -10.920 -1.597 -11.028 669 HE2 PHE 90 HE2 PHE 90 -7.993 -0.152 -8.267 670 HZ PHE 90 HZ PHE 90 -9.362 0.173 -10.297 671 H SER 91 H SER 91 -7.279 -4.698 -9.768 672 HA SER 91 HA SER 91 -4.981 -4.885 -7.866 673 HB2 SER 91 HB2 SER 91 -4.902 -6.378 -9.870 674 HB3 SER 91 HB3 SER 91 -4.950 -4.956 -10.901 675 HG SER 91 HG SER 91 -2.879 -6.065 -9.908 676 H TYR 92 H TYR 92 -3.408 -3.470 -10.049 677 HA TYR 92 HA TYR 92 -4.090 -0.736 -9.108 678 HB2 TYR 92 HB2 TYR 92 -1.579 -1.929 -10.340 679 HB3 TYR 92 HB3 TYR 92 -1.789 -0.201 -10.093 680 HD1 TYR 92 HD1 TYR 92 -1.138 -3.418 -8.514 681 HD2 TYR 92 HD2 TYR 92 -1.940 0.738 -7.816 682 HE1 TYR 92 HE1 TYR 92 -0.324 -3.651 -6.191 683 HE2 TYR 92 HE2 TYR 92 -1.126 0.506 -5.494 684 HH TYR 92 HH TYR 92 0.121 -0.866 -4.110 685 H THR 93 H THR 93 -3.998 1.066 -10.566 686 HA THR 93 HA THR 93 -5.258 0.555 -13.124 687 HB THR 93 HB THR 93 -4.048 3.106 -11.974 688 HG1 THR 93 HG1 THR 93 -5.829 2.978 -10.838 689 HG21 THR 93 HG21 THR 93 -5.365 4.254 -13.711 690 HG22 THR 93 HG22 THR 93 -4.162 3.163 -14.442 691 HG23 THR 93 HG23 THR 93 -5.873 2.681 -14.371 692 H PHE 94 H PHE 94 -3.395 -1.019 -13.634 693 HA PHE 94 HA PHE 94 -0.998 0.180 -14.740 694 HB2 PHE 94 HB2 PHE 94 -2.285 -2.543 -15.181 695 HB3 PHE 94 HB3 PHE 94 -0.719 -2.074 -15.823 696 HD1 PHE 94 HD1 PHE 94 -2.123 -3.967 -13.397 697 HD2 PHE 94 HD2 PHE 94 0.737 -0.817 -13.782 698 HE1 PHE 94 HE1 PHE 94 -1.047 -4.690 -11.293 699 HE2 PHE 94 HE2 PHE 94 1.818 -1.539 -11.679 700 HZ PHE 94 HZ PHE 94 0.924 -3.475 -10.433 701 H HIS 95 H HIS 95 -0.538 0.834 -16.767 702 HA HIS 95 HA HIS 95 -2.635 1.409 -18.652 703 HB2 HIS 95 HB2 HIS 95 -0.317 2.519 -18.443 704 HB3 HIS 95 HB3 HIS 95 0.305 1.133 -19.328 705 HD2 HIS 95 HD2 HIS 95 -1.150 4.539 -20.066 706 HE1 HIS 95 HE1 HIS 95 -1.650 2.254 -23.629 707 H GLY 96 H GLY 96 -3.432 0.356 -20.351 708 HA2 GLY 96 HA2 GLY 96 -3.362 -2.447 -20.525 709 HA3 GLY 96 HA3 GLY 96 -3.852 -1.381 -21.828 710 H ASP 97 H ASP 97 -2.005 -0.326 -23.070 711 HA ASP 97 HA ASP 97 0.239 -2.275 -23.357 712 HB2 ASP 97 HB2 ASP 97 -1.242 -1.962 -25.359 713 HB3 ASP 97 HB3 ASP 97 -0.800 -0.261 -25.390 714 HA PRO 98 HA PRO 98 2.319 1.453 -21.822 715 HB2 PRO 98 HB2 PRO 98 3.948 0.258 -20.011 716 HB3 PRO 98 HB3 PRO 98 2.250 0.574 -19.633 717 HG2 PRO 98 HG2 PRO 98 3.549 -2.013 -20.587 718 HG3 PRO 98 HG3 PRO 98 2.412 -1.785 -19.255 719 HD2 PRO 98 HD2 PRO 98 1.615 -2.597 -21.765 720 HD3 PRO 98 HD3 PRO 98 0.552 -1.629 -20.667 721 H HIS 99 H HIS 99 2.940 -1.187 -23.712 722 HA HIS 99 HA HIS 99 5.853 -0.710 -24.023 723 HB2 HIS 99 HB2 HIS 99 4.079 -2.637 -25.561 724 HB3 HIS 99 HB3 HIS 99 5.837 -2.622 -25.498 725 HD2 HIS 99 HD2 HIS 99 5.174 -2.241 -21.837 726 HE1 HIS 99 HE1 HIS 99 4.612 -6.377 -22.624 727 H ALA 100 H ALA 100 2.875 0.341 -25.334 728 HA ALA 100 HA ALA 100 3.788 0.810 -28.031 729 HB1 ALA 100 HB1 ALA 100 1.743 2.189 -28.231 730 HB2 ALA 100 HB2 ALA 100 1.402 0.605 -27.495 731 HB3 ALA 100 HB3 ALA 100 1.495 2.060 -26.475 732 H MET 101 H MET 101 3.345 2.946 -25.196 733 HA MET 101 HA MET 101 4.394 5.305 -26.314 734 HB2 MET 101 HB2 MET 101 4.556 4.202 -23.486 735 HB3 MET 101 HB3 MET 101 5.100 5.817 -23.917 736 HG2 MET 101 HG2 MET 101 2.781 6.308 -24.749 737 HG3 MET 101 HG3 MET 101 2.279 4.735 -24.124 738 HE1 MET 101 HE1 MET 101 2.419 5.089 -20.319 739 HE2 MET 101 HE2 MET 101 1.734 4.212 -21.709 740 HE3 MET 101 HE3 MET 101 3.494 4.213 -21.434 741 H PHE 102 H PHE 102 6.081 2.502 -24.950 742 HA PHE 102 HA PHE 102 8.691 3.769 -25.121 743 HB2 PHE 102 HB2 PHE 102 8.092 1.932 -23.498 744 HB3 PHE 102 HB3 PHE 102 8.017 0.814 -24.851 745 HD1 PHE 102 HD1 PHE 102 10.459 3.555 -24.165 746 HD2 PHE 102 HD2 PHE 102 9.785 -0.647 -24.547 747 HE1 PHE 102 HE1 PHE 102 12.889 3.148 -23.963 748 HE2 PHE 102 HE2 PHE 102 12.214 -1.057 -24.343 749 HZ PHE 102 HZ PHE 102 13.767 0.842 -24.052 750 H ALA 103 H ALA 103 6.929 1.324 -27.034 751 HA ALA 103 HA ALA 103 8.892 0.841 -28.987 752 HB1 ALA 103 HB1 ALA 103 7.008 0.244 -30.477 753 HB2 ALA 103 HB2 ALA 103 6.798 -0.432 -28.844 754 HB3 ALA 103 HB3 ALA 103 5.876 1.008 -29.338 755 H GLU 104 H GLU 104 6.664 3.556 -28.635 756 HA GLU 104 HA GLU 104 7.423 4.781 -31.156 757 HB2 GLU 104 HB2 GLU 104 5.263 5.272 -30.034 758 HB3 GLU 104 HB3 GLU 104 6.123 5.989 -28.679 759 HG2 GLU 104 HG2 GLU 104 5.287 7.733 -30.086 760 HG3 GLU 104 HG3 GLU 104 7.045 7.712 -30.194 761 H PHE 105 H PHE 105 8.490 5.029 -27.788 762 HA PHE 105 HA PHE 105 10.080 7.406 -28.245 763 HB2 PHE 105 HB2 PHE 105 9.207 6.909 -26.018 764 HB3 PHE 105 HB3 PHE 105 10.067 5.378 -25.977 765 HD1 PHE 105 HD1 PHE 105 10.800 9.012 -26.506 766 HD2 PHE 105 HD2 PHE 105 12.041 5.294 -24.809 767 HE1 PHE 105 HE1 PHE 105 12.747 10.135 -25.475 768 HE2 PHE 105 HE2 PHE 105 13.988 6.413 -23.774 769 HZ PHE 105 HZ PHE 105 14.340 8.834 -24.110 770 H PHE 106 H PHE 106 10.956 3.979 -27.620 771 HA PHE 106 HA PHE 106 13.695 4.666 -28.605 772 HB2 PHE 106 HB2 PHE 106 13.626 4.190 -26.178 773 HB3 PHE 106 HB3 PHE 106 12.868 2.637 -26.490 774 HD1 PHE 106 HD1 PHE 106 15.936 4.593 -27.327 775 HD2 PHE 106 HD2 PHE 106 14.178 0.745 -26.728 776 HE1 PHE 106 HE1 PHE 106 18.168 3.545 -27.522 777 HE2 PHE 106 HE2 PHE 106 16.408 -0.306 -26.919 778 HZ PHE 106 HZ PHE 106 18.403 1.095 -27.318 779 H GLY 107 H GLY 107 11.052 2.339 -28.633 780 HA2 GLY 107 HA2 GLY 107 10.605 0.725 -30.299 781 HA3 GLY 107 HA3 GLY 107 12.176 1.029 -31.017 782 H GLY 108 H GLY 108 11.670 0.370 -27.574 783 HA2 GLY 108 HA2 GLY 108 13.258 -2.087 -27.691 784 HA3 GLY 108 HA3 GLY 108 12.505 -1.393 -26.267 785 H ARG 109 H ARG 109 11.648 -3.004 -29.360 786 HA ARG 109 HA ARG 109 8.915 -3.239 -28.925 787 HB2 ARG 109 HB2 ARG 109 10.072 -3.810 -31.045 788 HB3 ARG 109 HB3 ARG 109 10.701 -5.274 -30.303 789 HG2 ARG 109 HG2 ARG 109 8.439 -6.158 -30.052 790 HG3 ARG 109 HG3 ARG 109 7.767 -4.657 -30.733 791 HD2 ARG 109 HD2 ARG 109 8.927 -5.067 -32.814 792 HD3 ARG 109 HD3 ARG 109 9.637 -6.551 -32.135 793 HE ARG 109 HE ARG 109 6.852 -6.740 -31.854 794 HH11 ARG 109 HH11 ARG 109 9.243 -6.583 -34.423 795 HH12 ARG 109 HH12 ARG 109 8.279 -7.515 -35.547 796 HH21 ARG 109 HH21 ARG 109 5.611 -7.949 -33.321 797 HH22 ARG 109 HH22 ARG 109 6.223 -8.289 -34.924 798 H ASN 110 H ASN 110 7.903 -3.983 -27.197 799 HA ASN 110 HA ASN 110 8.968 -6.439 -25.882 800 HB2 ASN 110 HB2 ASN 110 7.013 -4.344 -24.877 801 HB3 ASN 110 HB3 ASN 110 7.498 -5.779 -23.983 802 HD21 ASN 110 HD21 ASN 110 9.581 -2.544 -23.436 803 HD22 ASN 110 HD22 ASN 110 7.909 -2.681 -23.869 Start of MODEL 4 1 H1 MET 1 1H MET 1 5.415 0.460 3.879 2 H2 MET 1 2H MET 1 5.493 -0.514 2.571 3 H3 MET 1 3H MET 1 5.464 1.107 2.381 4 HA MET 1 HA MET 1 3.316 -0.546 3.442 5 HB2 MET 1 HB2 MET 1 3.546 2.454 3.009 6 HB3 MET 1 HB3 MET 1 2.015 1.631 3.266 7 HG2 MET 1 HG2 MET 1 2.726 0.908 5.481 8 HG3 MET 1 HG3 MET 1 4.329 1.602 5.225 9 HE1 MET 1 HE1 MET 1 0.422 4.014 5.766 10 HE2 MET 1 HE2 MET 1 0.697 2.964 4.355 11 HE3 MET 1 HE3 MET 1 0.570 2.253 5.981 12 H GLY 2 H GLY 2 3.727 2.034 1.002 13 HA2 GLY 2 HA2 GLY 2 2.106 0.420 -0.887 14 HA3 GLY 2 HA3 GLY 2 2.518 2.116 -1.058 15 H LYS 3 H LYS 3 3.149 1.635 -3.246 16 HA LYS 3 HA LYS 3 5.829 0.319 -3.405 17 HB2 LYS 3 HB2 LYS 3 3.609 0.362 -5.486 18 HB3 LYS 3 HB3 LYS 3 5.232 -0.251 -5.772 19 HG2 LYS 3 HG2 LYS 3 4.880 -1.961 -4.007 20 HG3 LYS 3 HG3 LYS 3 3.231 -1.363 -3.784 21 HD2 LYS 3 HD2 LYS 3 2.740 -1.870 -6.168 22 HD3 LYS 3 HD3 LYS 3 4.380 -2.506 -6.358 23 HE2 LYS 3 HE2 LYS 3 3.923 -4.221 -4.644 24 HE3 LYS 3 HE3 LYS 3 2.293 -3.580 -4.424 25 HZ1 LYS 3 HZ1 LYS 3 2.308 -5.471 -5.876 26 HZ2 LYS 3 HZ2 LYS 3 1.830 -4.132 -6.713 27 HZ3 LYS 3 HZ3 LYS 3 3.352 -4.733 -6.917 28 H ASP 4 H ASP 4 7.344 1.794 -3.617 29 HA ASP 4 HA ASP 4 6.664 4.480 -4.504 30 HB2 ASP 4 HB2 ASP 4 8.299 4.021 -2.669 31 HB3 ASP 4 HB3 ASP 4 9.380 3.274 -3.837 32 H TYR 5 H TYR 5 6.364 4.910 -6.574 33 HA TYR 5 HA TYR 5 7.334 3.318 -8.714 34 HB2 TYR 5 HB2 TYR 5 6.425 6.226 -8.708 35 HB3 TYR 5 HB3 TYR 5 6.673 5.259 -10.155 36 HD1 TYR 5 HD1 TYR 5 5.451 3.195 -7.550 37 HD2 TYR 5 HD2 TYR 5 4.223 6.110 -10.449 38 HE1 TYR 5 HE1 TYR 5 3.127 2.369 -7.397 39 HE2 TYR 5 HE2 TYR 5 1.899 5.284 -10.295 40 HH TYR 5 HH TYR 5 0.615 3.525 -9.570 41 H TYR 6 H TYR 6 8.742 6.074 -7.046 42 HA TYR 6 HA TYR 6 10.658 6.624 -9.168 43 HB2 TYR 6 HB2 TYR 6 10.603 7.611 -6.287 44 HB3 TYR 6 HB3 TYR 6 11.590 8.268 -7.585 45 HD1 TYR 6 HD1 TYR 6 8.979 9.117 -5.685 46 HD2 TYR 6 HD2 TYR 6 9.853 8.544 -9.846 47 HE1 TYR 6 HE1 TYR 6 7.157 10.677 -6.282 48 HE2 TYR 6 HE2 TYR 6 8.032 10.104 -10.444 49 HH TYR 6 HH TYR 6 6.132 11.760 -7.940 50 H GLN 7 H GLN 7 10.662 4.837 -6.124 51 HA GLN 7 HA GLN 7 13.487 4.131 -6.389 52 HB2 GLN 7 HB2 GLN 7 11.256 3.080 -4.609 53 HB3 GLN 7 HB3 GLN 7 12.902 2.469 -4.557 54 HG2 GLN 7 HG2 GLN 7 13.707 4.746 -3.996 55 HG3 GLN 7 HG3 GLN 7 12.007 5.294 -3.956 56 HE21 GLN 7 HE21 GLN 7 11.508 4.333 -0.672 57 HE22 GLN 7 HE22 GLN 7 11.040 5.287 -2.040 58 H THR 8 H THR 8 10.459 2.977 -7.605 59 HA THR 8 HA THR 8 11.481 0.385 -8.441 60 HB THR 8 HB THR 8 9.097 1.996 -9.451 61 HG1 THR 8 HG1 THR 8 8.865 1.374 -7.285 62 HG21 THR 8 HG21 THR 8 8.329 -0.154 -10.374 63 HG22 THR 8 HG22 THR 8 9.882 0.329 -11.097 64 HG23 THR 8 HG23 THR 8 9.839 -0.928 -9.839 65 H LEU 9 H LEU 9 11.224 3.614 -9.878 66 HA LEU 9 HA LEU 9 12.242 2.648 -12.457 67 HB2 LEU 9 HB2 LEU 9 11.493 5.381 -11.380 68 HB3 LEU 9 HB3 LEU 9 12.221 5.158 -12.973 69 HG LEU 9 HG LEU 9 9.587 3.927 -12.091 70 HD11 LEU 9 HD11 LEU 9 8.566 5.629 -13.535 71 HD12 LEU 9 HD12 LEU 9 9.460 6.364 -12.182 72 HD13 LEU 9 HD13 LEU 9 10.168 6.351 -13.815 73 HD21 LEU 9 HD21 LEU 9 9.350 3.450 -14.504 74 HD22 LEU 9 HD22 LEU 9 10.964 4.141 -14.799 75 HD23 LEU 9 HD23 LEU 9 10.796 2.655 -13.833 76 H GLY 10 H GLY 10 13.460 4.139 -9.543 77 HA2 GLY 10 HA2 GLY 10 15.711 4.216 -8.862 78 HA3 GLY 10 HA3 GLY 10 16.211 3.697 -10.460 79 H LEU 11 H LEU 11 14.154 6.463 -9.508 80 HA LEU 11 HA LEU 11 16.398 8.311 -10.063 81 HB2 LEU 11 HB2 LEU 11 15.293 9.584 -11.681 82 HB3 LEU 11 HB3 LEU 11 14.938 7.922 -12.164 83 HG LEU 11 HG LEU 11 13.056 9.821 -10.720 84 HD11 LEU 11 HD11 LEU 11 11.782 9.690 -12.814 85 HD12 LEU 11 HD12 LEU 11 13.412 10.351 -13.077 86 HD13 LEU 11 HD13 LEU 11 13.052 8.666 -13.523 87 HD21 LEU 11 HD21 LEU 11 11.403 8.004 -10.992 88 HD22 LEU 11 HD22 LEU 11 12.668 6.955 -11.676 89 HD23 LEU 11 HD23 LEU 11 12.770 7.480 -9.979 90 H ALA 12 H ALA 12 15.666 10.640 -9.587 91 HA ALA 12 HA ALA 12 14.581 10.622 -6.891 92 HB1 ALA 12 HB1 ALA 12 15.007 13.058 -6.964 93 HB2 ALA 12 HB2 ALA 12 16.425 12.124 -7.499 94 HB3 ALA 12 HB3 ALA 12 15.387 12.931 -8.697 95 H ARG 13 H ARG 13 12.748 11.652 -6.112 96 HA ARG 13 HA ARG 13 10.418 11.377 -7.740 97 HB2 ARG 13 HB2 ARG 13 9.206 12.318 -5.879 98 HB3 ARG 13 HB3 ARG 13 10.439 11.234 -5.252 99 HG2 ARG 13 HG2 ARG 13 11.876 13.210 -4.762 100 HG3 ARG 13 HG3 ARG 13 10.537 14.259 -5.288 101 HD2 ARG 13 HD2 ARG 13 9.110 13.267 -3.578 102 HD3 ARG 13 HD3 ARG 13 10.474 12.262 -3.038 103 HE ARG 13 HE ARG 13 10.071 15.112 -2.576 104 HH11 ARG 13 HH11 ARG 13 12.332 12.425 -2.556 105 HH12 ARG 13 HH12 ARG 13 13.438 13.199 -1.444 106 HH21 ARG 13 HH21 ARG 13 11.514 16.108 -1.132 107 HH22 ARG 13 HH22 ARG 13 12.975 15.285 -0.637 108 H GLY 14 H GLY 14 12.727 13.897 -7.466 109 HA2 GLY 14 HA2 GLY 14 10.818 15.910 -8.573 110 HA3 GLY 14 HA3 GLY 14 12.350 16.278 -7.805 111 H ALA 15 H ALA 15 12.205 13.579 -9.999 112 HA ALA 15 HA ALA 15 14.175 14.815 -11.731 113 HB1 ALA 15 HB1 ALA 15 14.031 12.698 -13.002 114 HB2 ALA 15 HB2 ALA 15 14.227 12.407 -11.257 115 HB3 ALA 15 HB3 ALA 15 12.632 12.211 -12.019 116 H SER 16 H SER 16 13.697 16.321 -13.156 117 HA SER 16 HA SER 16 11.278 16.876 -14.414 118 HB2 SER 16 HB2 SER 16 12.554 17.957 -16.141 119 HB3 SER 16 HB3 SER 16 13.391 18.196 -14.615 120 HG SER 16 HG SER 16 14.893 17.570 -16.005 121 H ASP 17 H ASP 17 10.779 16.553 -16.801 122 HA ASP 17 HA ASP 17 10.026 13.792 -16.883 123 HB2 ASP 17 HB2 ASP 17 9.743 16.061 -18.882 124 HB3 ASP 17 HB3 ASP 17 9.123 14.446 -19.197 125 H GLU 18 H GLU 18 12.664 15.580 -18.283 126 HA GLU 18 HA GLU 18 13.273 13.686 -20.377 127 HB2 GLU 18 HB2 GLU 18 14.948 15.828 -19.010 128 HB3 GLU 18 HB3 GLU 18 15.518 14.869 -20.369 129 HG2 GLU 18 HG2 GLU 18 13.151 16.754 -20.377 130 HG3 GLU 18 HG3 GLU 18 14.733 17.049 -21.093 131 H GLU 19 H GLU 19 14.334 14.113 -17.018 132 HA GLU 19 HA GLU 19 16.169 11.868 -17.097 133 HB2 GLU 19 HB2 GLU 19 14.837 13.342 -14.793 134 HB3 GLU 19 HB3 GLU 19 16.014 12.055 -14.574 135 HG2 GLU 19 HG2 GLU 19 16.499 14.696 -15.971 136 HG3 GLU 19 HG3 GLU 19 17.032 14.255 -14.349 137 H ILE 20 H ILE 20 12.737 12.292 -16.482 138 HA ILE 20 HA ILE 20 12.264 9.640 -15.470 139 HB ILE 20 HB ILE 20 10.467 11.670 -16.849 140 HG12 ILE 20 HG12 ILE 20 10.503 10.708 -13.982 141 HG13 ILE 20 HG13 ILE 20 11.367 12.131 -14.543 142 HG21 ILE 20 HG21 ILE 20 8.578 10.235 -16.187 143 HG22 ILE 20 HG22 ILE 20 9.643 9.398 -17.341 144 HG23 ILE 20 HG23 ILE 20 9.718 8.995 -15.609 145 HD11 ILE 20 HD11 ILE 20 9.237 12.737 -13.541 146 HD12 ILE 20 HD12 ILE 20 9.250 13.144 -15.273 147 HD13 ILE 20 HD13 ILE 20 8.375 11.703 -14.704 148 H LYS 21 H LYS 21 11.956 11.065 -18.743 149 HA LYS 21 HA LYS 21 11.396 8.769 -20.216 150 HB2 LYS 21 HB2 LYS 21 13.230 11.106 -20.848 151 HB3 LYS 21 HB3 LYS 21 12.864 9.849 -22.021 152 HG2 LYS 21 HG2 LYS 21 10.496 10.413 -21.959 153 HG3 LYS 21 HG3 LYS 21 10.783 11.594 -20.673 154 HD2 LYS 21 HD2 LYS 21 12.302 12.848 -22.220 155 HD3 LYS 21 HD3 LYS 21 11.885 11.704 -23.505 156 HE2 LYS 21 HE2 LYS 21 9.528 12.354 -23.363 157 HE3 LYS 21 HE3 LYS 21 9.878 13.431 -22.008 158 HZ1 LYS 21 HZ1 LYS 21 9.741 14.623 -24.070 159 HZ2 LYS 21 HZ2 LYS 21 11.275 14.721 -23.471 160 HZ3 LYS 21 HZ3 LYS 21 10.946 13.717 -24.737 161 H ARG 22 H ARG 22 14.627 9.908 -19.188 162 HA ARG 22 HA ARG 22 16.057 7.725 -20.332 163 HB2 ARG 22 HB2 ARG 22 17.149 9.808 -19.625 164 HB3 ARG 22 HB3 ARG 22 16.751 9.472 -17.946 165 HG2 ARG 22 HG2 ARG 22 18.182 7.450 -18.031 166 HG3 ARG 22 HG3 ARG 22 18.625 7.870 -19.702 167 HD2 ARG 22 HD2 ARG 22 20.316 8.610 -18.161 168 HD3 ARG 22 HD3 ARG 22 19.504 10.005 -18.908 169 HE ARG 22 HE ARG 22 18.747 10.646 -16.847 170 HH11 ARG 22 HH11 ARG 22 19.817 7.304 -16.670 171 HH12 ARG 22 HH12 ARG 22 19.657 7.214 -14.931 172 HH21 ARG 22 HH21 ARG 22 18.544 10.516 -14.588 173 HH22 ARG 22 HH22 ARG 22 18.937 9.031 -13.752 174 H ALA 23 H ALA 23 15.198 8.306 -16.896 175 HA ALA 23 HA ALA 23 16.048 5.885 -15.839 176 HB1 ALA 23 HB1 ALA 23 14.333 6.206 -14.086 177 HB2 ALA 23 HB2 ALA 23 15.176 7.726 -14.469 178 HB3 ALA 23 HB3 ALA 23 13.539 7.434 -15.100 179 H TYR 24 H TYR 24 12.917 6.570 -17.397 180 HA TYR 24 HA TYR 24 11.824 3.964 -16.901 181 HB2 TYR 24 HB2 TYR 24 10.359 5.840 -17.405 182 HB3 TYR 24 HB3 TYR 24 11.135 6.091 -18.963 183 HD1 TYR 24 HD1 TYR 24 9.354 3.405 -17.047 184 HD2 TYR 24 HD2 TYR 24 10.140 5.226 -20.852 185 HE1 TYR 24 HE1 TYR 24 7.710 1.895 -18.110 186 HE2 TYR 24 HE2 TYR 24 8.495 3.716 -21.914 187 HH TYR 24 HH TYR 24 6.689 2.324 -21.420 188 H ARG 25 H ARG 25 13.506 5.376 -19.705 189 HA ARG 25 HA ARG 25 13.246 3.205 -21.472 190 HB2 ARG 25 HB2 ARG 25 14.187 5.378 -22.127 191 HB3 ARG 25 HB3 ARG 25 15.599 5.096 -21.122 192 HG2 ARG 25 HG2 ARG 25 15.982 3.002 -22.588 193 HG3 ARG 25 HG3 ARG 25 14.830 3.769 -23.708 194 HD2 ARG 25 HD2 ARG 25 17.060 4.346 -24.331 195 HD3 ARG 25 HD3 ARG 25 16.234 5.788 -23.695 196 HE ARG 25 HE ARG 25 17.807 4.294 -21.745 197 HH11 ARG 25 HH11 ARG 25 17.757 6.900 -24.102 198 HH12 ARG 25 HH12 ARG 25 19.123 7.734 -23.394 199 HH21 ARG 25 HH21 ARG 25 19.577 5.387 -20.835 200 HH22 ARG 25 HH22 ARG 25 20.154 6.879 -21.546 201 H ARG 26 H ARG 26 15.883 3.856 -19.133 202 HA ARG 26 HA ARG 26 17.365 1.507 -19.493 203 HB2 ARG 26 HB2 ARG 26 18.116 3.305 -18.032 204 HB3 ARG 26 HB3 ARG 26 16.773 3.030 -16.932 205 HG2 ARG 26 HG2 ARG 26 17.687 0.778 -16.419 206 HG3 ARG 26 HG3 ARG 26 19.082 1.145 -17.463 207 HD2 ARG 26 HD2 ARG 26 19.635 1.549 -15.167 208 HD3 ARG 26 HD3 ARG 26 19.581 3.087 -16.058 209 HE ARG 26 HE ARG 26 17.078 2.437 -14.770 210 HH11 ARG 26 HH11 ARG 26 20.260 3.848 -14.299 211 HH12 ARG 26 HH12 ARG 26 19.756 4.845 -12.953 212 HH21 ARG 26 HH21 ARG 26 16.436 3.736 -13.023 213 HH22 ARG 26 HH22 ARG 26 17.592 4.783 -12.230 214 H GLN 27 H GLN 27 14.473 2.035 -17.474 215 HA GLN 27 HA GLN 27 14.614 -0.581 -16.259 216 HB2 GLN 27 HB2 GLN 27 12.409 1.507 -16.402 217 HB3 GLN 27 HB3 GLN 27 12.236 -0.008 -15.527 218 HG2 GLN 27 HG2 GLN 27 14.321 2.116 -14.983 219 HG3 GLN 27 HG3 GLN 27 12.834 1.817 -14.039 220 HE21 GLN 27 HE21 GLN 27 15.693 0.214 -12.295 221 HE22 GLN 27 HE22 GLN 27 15.279 1.824 -12.782 222 H ALA 28 H ALA 28 12.646 0.829 -18.876 223 HA ALA 28 HA ALA 28 11.112 -1.544 -19.340 224 HB1 ALA 28 HB1 ALA 28 10.515 -0.472 -21.487 225 HB2 ALA 28 HB2 ALA 28 10.383 0.664 -20.123 226 HB3 ALA 28 HB3 ALA 28 11.780 0.749 -21.220 227 H LEU 29 H LEU 29 14.182 -0.358 -20.656 228 HA LEU 29 HA LEU 29 14.625 -2.516 -22.473 229 HB2 LEU 29 HB2 LEU 29 16.519 -0.766 -20.875 230 HB3 LEU 29 HB3 LEU 29 17.078 -1.972 -22.039 231 HG LEU 29 HG LEU 29 15.281 0.379 -22.733 232 HD11 LEU 29 HD11 LEU 29 17.303 1.352 -23.727 233 HD12 LEU 29 HD12 LEU 29 17.475 1.132 -21.969 234 HD13 LEU 29 HD13 LEU 29 18.267 -0.002 -23.090 235 HD21 LEU 29 HD21 LEU 29 15.885 -0.244 -25.047 236 HD22 LEU 29 HD22 LEU 29 16.830 -1.621 -24.430 237 HD23 LEU 29 HD23 LEU 29 15.063 -1.587 -24.216 238 H ARG 30 H ARG 30 15.245 -2.146 -18.995 239 HA ARG 30 HA ARG 30 16.775 -4.537 -18.689 240 HB2 ARG 30 HB2 ARG 30 16.710 -2.733 -17.004 241 HB3 ARG 30 HB3 ARG 30 15.023 -3.093 -16.669 242 HG2 ARG 30 HG2 ARG 30 16.399 -4.038 -14.944 243 HG3 ARG 30 HG3 ARG 30 15.693 -5.363 -15.900 244 HD2 ARG 30 HD2 ARG 30 17.751 -5.625 -17.113 245 HD3 ARG 30 HD3 ARG 30 18.463 -4.241 -16.251 246 HE ARG 30 HE ARG 30 17.606 -6.047 -14.302 247 HH11 ARG 30 HH11 ARG 30 19.905 -5.981 -16.957 248 HH12 ARG 30 HH12 ARG 30 21.004 -7.111 -16.199 249 HH21 ARG 30 HH21 ARG 30 19.040 -7.514 -13.328 250 HH22 ARG 30 HH22 ARG 30 20.515 -7.979 -14.145 251 H TYR 31 H TYR 31 13.290 -3.881 -18.515 252 HA TYR 31 HA TYR 31 12.834 -6.756 -17.875 253 HB2 TYR 31 HB2 TYR 31 11.123 -4.275 -17.494 254 HB3 TYR 31 HB3 TYR 31 10.469 -5.901 -17.346 255 HD1 TYR 31 HD1 TYR 31 12.940 -3.521 -15.940 256 HD2 TYR 31 HD2 TYR 31 10.819 -7.211 -15.404 257 HE1 TYR 31 HE1 TYR 31 13.684 -3.607 -13.585 258 HE2 TYR 31 HE2 TYR 31 11.562 -7.297 -13.049 259 HH TYR 31 HH TYR 31 13.527 -4.690 -11.644 260 H HIS 32 H HIS 32 13.090 -4.894 -20.533 261 HA HIS 32 HA HIS 32 11.016 -5.631 -22.257 262 HB2 HIS 32 HB2 HIS 32 13.152 -4.351 -22.819 263 HB3 HIS 32 HB3 HIS 32 13.957 -5.908 -22.945 264 HD2 HIS 32 HD2 HIS 32 11.735 -3.590 -25.059 265 HE1 HIS 32 HE1 HIS 32 12.106 -7.271 -27.175 266 HE2 HIS 32 HE2 HIS 32 11.328 -4.847 -27.303 267 HA PRO 33 HA PRO 33 10.465 -9.873 -22.031 268 HB2 PRO 33 HB2 PRO 33 10.161 -9.612 -25.061 269 HB3 PRO 33 HB3 PRO 33 9.152 -10.515 -23.925 270 HG2 PRO 33 HG2 PRO 33 8.284 -8.145 -24.746 271 HG3 PRO 33 HG3 PRO 33 8.147 -8.546 -23.032 272 HD2 PRO 33 HD2 PRO 33 10.176 -6.778 -24.433 273 HD3 PRO 33 HD3 PRO 33 9.392 -6.561 -22.817 274 H ASP 34 H ASP 34 12.564 -8.564 -24.592 275 HA ASP 34 HA ASP 34 13.954 -11.143 -24.911 276 HB2 ASP 34 HB2 ASP 34 14.332 -8.431 -26.239 277 HB3 ASP 34 HB3 ASP 34 15.319 -9.841 -26.596 278 H LYS 35 H LYS 35 14.029 -9.079 -22.509 279 HA LYS 35 HA LYS 35 17.003 -9.163 -22.247 280 HB2 LYS 35 HB2 LYS 35 15.142 -6.898 -21.429 281 HB3 LYS 35 HB3 LYS 35 16.846 -6.992 -21.008 282 HG2 LYS 35 HG2 LYS 35 15.761 -6.863 -23.837 283 HG3 LYS 35 HG3 LYS 35 16.407 -5.495 -22.919 284 HD2 LYS 35 HD2 LYS 35 18.585 -6.704 -22.715 285 HD3 LYS 35 HD3 LYS 35 17.929 -8.003 -23.722 286 HE2 LYS 35 HE2 LYS 35 17.557 -6.376 -25.559 287 HE3 LYS 35 HE3 LYS 35 18.244 -5.096 -24.557 288 HZ1 LYS 35 HZ1 LYS 35 19.858 -5.998 -26.064 289 HZ2 LYS 35 HZ2 LYS 35 20.308 -6.319 -24.509 290 HZ3 LYS 35 HZ3 LYS 35 19.667 -7.515 -25.447 291 H ASN 36 H ASN 36 13.843 -9.407 -20.756 292 HA ASN 36 HA ASN 36 15.030 -11.026 -18.620 293 HB2 ASN 36 HB2 ASN 36 15.183 -8.703 -17.731 294 HB3 ASN 36 HB3 ASN 36 13.443 -8.532 -17.927 295 HD21 ASN 36 HD21 ASN 36 14.171 -9.464 -14.423 296 HD22 ASN 36 HD22 ASN 36 14.622 -8.174 -15.486 297 H LYS 37 H LYS 37 13.894 -12.797 -18.802 298 HA LYS 37 HA LYS 37 10.925 -12.517 -19.032 299 HB2 LYS 37 HB2 LYS 37 12.528 -13.617 -20.949 300 HB3 LYS 37 HB3 LYS 37 12.200 -15.040 -19.971 301 HG2 LYS 37 HG2 LYS 37 10.035 -13.231 -21.080 302 HG3 LYS 37 HG3 LYS 37 10.631 -14.686 -21.891 303 HD2 LYS 37 HD2 LYS 37 10.007 -16.024 -19.872 304 HD3 LYS 37 HD3 LYS 37 9.327 -14.559 -19.147 305 HE2 LYS 37 HE2 LYS 37 7.867 -14.372 -21.247 306 HE3 LYS 37 HE3 LYS 37 8.391 -16.013 -21.637 307 HZ1 LYS 37 HZ1 LYS 37 6.328 -16.007 -20.441 308 HZ2 LYS 37 HZ2 LYS 37 7.495 -16.738 -19.532 309 HZ3 LYS 37 HZ3 LYS 37 7.004 -15.206 -19.169 310 H GLU 38 H GLU 38 10.546 -12.595 -16.838 311 HA GLU 38 HA GLU 38 10.731 -15.303 -15.688 312 HB2 GLU 38 HB2 GLU 38 12.841 -14.204 -14.976 313 HB3 GLU 38 HB3 GLU 38 11.920 -12.873 -14.287 314 HG2 GLU 38 HG2 GLU 38 10.891 -14.386 -12.669 315 HG3 GLU 38 HG3 GLU 38 11.738 -15.756 -13.384 316 HA PRO 39 HA PRO 39 6.669 -14.172 -14.450 317 HB2 PRO 39 HB2 PRO 39 7.258 -16.333 -12.393 318 HB3 PRO 39 HB3 PRO 39 5.828 -16.131 -13.416 319 HG2 PRO 39 HG2 PRO 39 7.619 -17.969 -14.111 320 HG3 PRO 39 HG3 PRO 39 6.938 -16.930 -15.366 321 HD2 PRO 39 HD2 PRO 39 9.625 -16.716 -13.947 322 HD3 PRO 39 HD3 PRO 39 9.246 -16.517 -15.706 323 H GLY 40 H GLY 40 6.072 -12.578 -13.097 324 HA2 GLY 40 HA2 GLY 40 5.865 -11.573 -10.914 325 HA3 GLY 40 HA3 GLY 40 7.358 -12.349 -10.423 326 H ALA 41 H ALA 41 9.194 -11.692 -12.291 327 HA ALA 41 HA ALA 41 9.649 -8.881 -12.194 328 HB1 ALA 41 HB1 ALA 41 11.322 -9.306 -13.966 329 HB2 ALA 41 HB2 ALA 41 11.439 -10.498 -12.649 330 HB3 ALA 41 HB3 ALA 41 10.662 -10.942 -14.187 331 H GLU 42 H GLU 42 8.075 -10.941 -14.634 332 HA GLU 42 HA GLU 42 7.361 -8.953 -16.493 333 HB2 GLU 42 HB2 GLU 42 5.803 -11.371 -15.500 334 HB3 GLU 42 HB3 GLU 42 5.293 -10.382 -16.861 335 HG2 GLU 42 HG2 GLU 42 7.248 -10.979 -18.124 336 HG3 GLU 42 HG3 GLU 42 7.965 -11.788 -16.733 337 H GLU 43 H GLU 43 6.001 -9.690 -13.313 338 HA GLU 43 HA GLU 43 3.862 -7.722 -13.595 339 HB2 GLU 43 HB2 GLU 43 4.945 -9.199 -11.162 340 HB3 GLU 43 HB3 GLU 43 3.529 -8.157 -11.146 341 HG2 GLU 43 HG2 GLU 43 3.823 -10.671 -12.805 342 HG3 GLU 43 HG3 GLU 43 2.981 -10.557 -11.262 343 H LYS 44 H LYS 44 7.074 -7.865 -12.084 344 HA LYS 44 HA LYS 44 7.089 -5.262 -10.958 345 HB2 LYS 44 HB2 LYS 44 9.309 -6.945 -12.173 346 HB3 LYS 44 HB3 LYS 44 9.603 -5.400 -11.388 347 HG2 LYS 44 HG2 LYS 44 8.673 -6.280 -9.283 348 HG3 LYS 44 HG3 LYS 44 8.361 -7.833 -10.072 349 HD2 LYS 44 HD2 LYS 44 10.786 -8.072 -10.543 350 HD3 LYS 44 HD3 LYS 44 11.087 -6.529 -9.729 351 HE2 LYS 44 HE2 LYS 44 10.174 -7.454 -7.627 352 HE3 LYS 44 HE3 LYS 44 9.856 -8.991 -8.435 353 HZ1 LYS 44 HZ1 LYS 44 11.905 -9.042 -7.216 354 HZ2 LYS 44 HZ2 LYS 44 12.214 -9.205 -8.828 355 HZ3 LYS 44 HZ3 LYS 44 12.510 -7.769 -8.072 356 H PHE 45 H PHE 45 7.613 -6.368 -14.278 357 HA PHE 45 HA PHE 45 8.365 -3.798 -15.323 358 HB2 PHE 45 HB2 PHE 45 8.679 -6.048 -16.463 359 HB3 PHE 45 HB3 PHE 45 6.956 -6.052 -16.801 360 HD1 PHE 45 HD1 PHE 45 8.532 -2.802 -16.840 361 HD2 PHE 45 HD2 PHE 45 7.639 -6.250 -19.199 362 HE1 PHE 45 HE1 PHE 45 8.932 -1.495 -18.900 363 HE2 PHE 45 HE2 PHE 45 8.041 -4.947 -21.261 364 HZ PHE 45 HZ PHE 45 8.687 -2.567 -21.110 365 H LYS 46 H LYS 46 5.241 -5.472 -14.954 366 HA LYS 46 HA LYS 46 3.606 -3.410 -16.034 367 HB2 LYS 46 HB2 LYS 46 3.104 -5.461 -13.847 368 HB3 LYS 46 HB3 LYS 46 1.859 -4.361 -14.426 369 HG2 LYS 46 HG2 LYS 46 2.052 -5.298 -16.687 370 HG3 LYS 46 HG3 LYS 46 3.342 -6.376 -16.140 371 HD2 LYS 46 HD2 LYS 46 1.761 -7.392 -14.499 372 HD3 LYS 46 HD3 LYS 46 0.474 -6.354 -15.131 373 HE2 LYS 46 HE2 LYS 46 0.665 -7.382 -17.336 374 HE3 LYS 46 HE3 LYS 46 2.051 -8.340 -16.807 375 HZ1 LYS 46 HZ1 LYS 46 0.034 -9.613 -16.771 376 HZ2 LYS 46 HZ2 LYS 46 0.614 -9.446 -15.236 377 HZ3 LYS 46 HZ3 LYS 46 -0.681 -8.552 -15.730 378 H GLU 47 H GLU 47 4.951 -3.878 -12.775 379 HA GLU 47 HA GLU 47 3.750 -1.577 -11.592 380 HB2 GLU 47 HB2 GLU 47 6.357 -3.030 -11.003 381 HB3 GLU 47 HB3 GLU 47 5.749 -1.707 -10.017 382 HG2 GLU 47 HG2 GLU 47 3.786 -2.968 -9.414 383 HG3 GLU 47 HG3 GLU 47 4.205 -4.252 -10.547 384 H ILE 48 H ILE 48 6.757 -2.006 -13.441 385 HA ILE 48 HA ILE 48 7.574 0.739 -13.305 386 HB ILE 48 HB ILE 48 8.126 -1.463 -15.329 387 HG12 ILE 48 HG12 ILE 48 10.002 -0.181 -13.343 388 HG13 ILE 48 HG13 ILE 48 9.014 -1.577 -12.941 389 HG21 ILE 48 HG21 ILE 48 9.873 0.013 -16.239 390 HG22 ILE 48 HG22 ILE 48 8.257 0.727 -16.454 391 HG23 ILE 48 HG23 ILE 48 9.330 1.326 -15.167 392 HD11 ILE 48 HD11 ILE 48 11.257 -2.249 -13.595 393 HD12 ILE 48 HD12 ILE 48 10.057 -2.855 -14.762 394 HD13 ILE 48 HD13 ILE 48 11.059 -1.442 -15.168 395 H ALA 49 H ALA 49 5.672 -1.077 -15.729 396 HA ALA 49 HA ALA 49 5.038 1.022 -17.458 397 HB1 ALA 49 HB1 ALA 49 2.962 -0.227 -17.958 398 HB2 ALA 49 HB2 ALA 49 4.374 -1.306 -17.864 399 HB3 ALA 49 HB3 ALA 49 3.224 -1.225 -16.510 400 H GLU 50 H GLU 50 3.499 0.173 -14.362 401 HA GLU 50 HA GLU 50 1.628 2.366 -14.427 402 HB2 GLU 50 HB2 GLU 50 1.413 0.317 -12.976 403 HB3 GLU 50 HB3 GLU 50 2.757 0.904 -12.007 404 HG2 GLU 50 HG2 GLU 50 0.810 1.491 -10.836 405 HG3 GLU 50 HG3 GLU 50 1.398 2.987 -11.560 406 H ALA 51 H ALA 51 4.881 1.929 -13.056 407 HA ALA 51 HA ALA 51 5.084 4.405 -11.722 408 HB1 ALA 51 HB1 ALA 51 7.528 4.135 -11.985 409 HB2 ALA 51 HB2 ALA 51 6.747 2.615 -11.486 410 HB3 ALA 51 HB3 ALA 51 7.249 2.845 -13.177 411 H TYR 52 H TYR 52 5.141 3.662 -15.120 412 HA TYR 52 HA TYR 52 6.047 6.422 -15.745 413 HB2 TYR 52 HB2 TYR 52 7.031 4.369 -16.921 414 HB3 TYR 52 HB3 TYR 52 5.470 4.174 -17.705 415 HD1 TYR 52 HD1 TYR 52 7.613 7.166 -16.963 416 HD2 TYR 52 HD2 TYR 52 5.587 4.795 -19.910 417 HE1 TYR 52 HE1 TYR 52 8.294 8.766 -18.719 418 HE2 TYR 52 HE2 TYR 52 6.268 6.395 -21.666 419 HH TYR 52 HH TYR 52 7.410 8.236 -22.135 420 H ASP 53 H ASP 53 3.334 4.183 -16.389 421 HA ASP 53 HA ASP 53 1.414 5.633 -17.570 422 HB2 ASP 53 HB2 ASP 53 1.045 3.513 -16.268 423 HB3 ASP 53 HB3 ASP 53 1.021 4.461 -14.787 424 H VAL 54 H VAL 54 2.280 6.220 -14.139 425 HA VAL 54 HA VAL 54 0.719 8.588 -13.872 426 HB VAL 54 HB VAL 54 3.184 7.574 -12.410 427 HG11 VAL 54 HG11 VAL 54 2.776 9.299 -10.723 428 HG12 VAL 54 HG12 VAL 54 3.215 9.998 -12.299 429 HG13 VAL 54 HG13 VAL 54 1.519 10.015 -11.758 430 HG21 VAL 54 HG21 VAL 54 1.531 7.155 -10.615 431 HG22 VAL 54 HG22 VAL 54 0.240 7.802 -11.655 432 HG23 VAL 54 HG23 VAL 54 1.085 6.303 -12.113 433 H LEU 55 H LEU 55 4.083 8.056 -14.908 434 HA LEU 55 HA LEU 55 4.596 10.958 -14.798 435 HB2 LEU 55 HB2 LEU 55 6.446 8.668 -15.549 436 HB3 LEU 55 HB3 LEU 55 6.924 10.342 -15.253 437 HG LEU 55 HG LEU 55 5.812 8.404 -13.193 438 HD11 LEU 55 HD11 LEU 55 8.070 8.553 -12.244 439 HD12 LEU 55 HD12 LEU 55 8.095 7.902 -13.900 440 HD13 LEU 55 HD13 LEU 55 8.572 9.591 -13.600 441 HD21 LEU 55 HD21 LEU 55 6.309 10.216 -11.589 442 HD22 LEU 55 HD22 LEU 55 6.785 11.279 -12.935 443 HD23 LEU 55 HD23 LEU 55 5.097 10.735 -12.785 444 H SER 56 H SER 56 3.322 8.838 -17.016 445 HA SER 56 HA SER 56 4.288 10.530 -19.283 446 HB2 SER 56 HB2 SER 56 3.648 8.683 -20.754 447 HB3 SER 56 HB3 SER 56 4.809 8.148 -19.549 448 HG SER 56 HG SER 56 3.037 7.403 -18.321 449 H ASP 57 H ASP 57 1.596 9.631 -17.336 450 HA ASP 57 HA ASP 57 -0.267 10.859 -19.326 451 HB2 ASP 57 HB2 ASP 57 -0.565 8.369 -18.981 452 HB3 ASP 57 HB3 ASP 57 -0.952 8.697 -17.297 453 HA PRO 58 HA PRO 58 -0.462 13.884 -16.160 454 HB2 PRO 58 HB2 PRO 58 -2.819 14.751 -17.881 455 HB3 PRO 58 HB3 PRO 58 -1.511 15.737 -17.213 456 HG2 PRO 58 HG2 PRO 58 -1.390 15.061 -19.783 457 HG3 PRO 58 HG3 PRO 58 0.079 14.963 -18.808 458 HD2 PRO 58 HD2 PRO 58 -1.804 12.735 -19.670 459 HD3 PRO 58 HD3 PRO 58 0.005 12.741 -19.607 460 H ARG 59 H ARG 59 -2.918 11.655 -17.121 461 HA ARG 59 HA ARG 59 -5.016 12.659 -15.372 462 HB2 ARG 59 HB2 ARG 59 -4.714 10.078 -16.939 463 HB3 ARG 59 HB3 ARG 59 -6.138 10.478 -15.988 464 HG2 ARG 59 HG2 ARG 59 -6.547 12.443 -17.396 465 HG3 ARG 59 HG3 ARG 59 -5.095 12.060 -18.352 466 HD2 ARG 59 HD2 ARG 59 -7.461 10.234 -18.001 467 HD3 ARG 59 HD3 ARG 59 -7.194 11.315 -19.389 468 HE ARG 59 HE ARG 59 -4.885 9.750 -19.080 469 HH11 ARG 59 HH11 ARG 59 -8.283 9.317 -19.862 470 HH12 ARG 59 HH12 ARG 59 -8.003 7.907 -20.859 471 HH21 ARG 59 HH21 ARG 59 -4.535 7.919 -20.377 472 HH22 ARG 59 HH22 ARG 59 -5.882 7.115 -21.151 473 H LYS 60 H LYS 60 -2.409 10.332 -15.143 474 HA LYS 60 HA LYS 60 -3.318 9.706 -12.368 475 HB2 LYS 60 HB2 LYS 60 -1.236 8.274 -14.067 476 HB3 LYS 60 HB3 LYS 60 -1.756 7.802 -12.456 477 HG2 LYS 60 HG2 LYS 60 -3.052 6.379 -13.659 478 HG3 LYS 60 HG3 LYS 60 -4.152 7.764 -13.650 479 HD2 LYS 60 HD2 LYS 60 -3.372 8.462 -15.851 480 HD3 LYS 60 HD3 LYS 60 -2.136 7.194 -15.853 481 HE2 LYS 60 HE2 LYS 60 -4.206 5.591 -15.491 482 HE3 LYS 60 HE3 LYS 60 -5.120 6.945 -16.161 483 HZ1 LYS 60 HZ1 LYS 60 -4.427 5.421 -17.860 484 HZ2 LYS 60 HZ2 LYS 60 -3.692 6.879 -18.088 485 HZ3 LYS 60 HZ3 LYS 60 -2.839 5.613 -17.463 486 H ARG 61 H ARG 61 -1.148 11.575 -14.179 487 HA ARG 61 HA ARG 61 1.005 11.754 -12.283 488 HB2 ARG 61 HB2 ARG 61 1.128 12.552 -14.644 489 HB3 ARG 61 HB3 ARG 61 0.011 13.850 -14.246 490 HG2 ARG 61 HG2 ARG 61 2.203 14.761 -14.251 491 HG3 ARG 61 HG3 ARG 61 1.687 14.664 -12.550 492 HD2 ARG 61 HD2 ARG 61 2.937 12.587 -12.305 493 HD3 ARG 61 HD3 ARG 61 3.475 12.723 -13.995 494 HE ARG 61 HE ARG 61 4.314 14.397 -11.720 495 HH11 ARG 61 HH11 ARG 61 4.518 13.633 -15.142 496 HH12 ARG 61 HH12 ARG 61 5.997 14.537 -15.384 497 HH21 ARG 61 HH21 ARG 61 6.232 15.567 -12.046 498 HH22 ARG 61 HH22 ARG 61 6.968 15.631 -13.632 499 H GLU 62 H GLU 62 -1.858 13.834 -12.861 500 HA GLU 62 HA GLU 62 -1.523 15.550 -10.648 501 HB2 GLU 62 HB2 GLU 62 -4.046 14.511 -11.993 502 HB3 GLU 62 HB3 GLU 62 -4.059 15.760 -10.756 503 HG2 GLU 62 HG2 GLU 62 -2.547 15.970 -13.368 504 HG3 GLU 62 HG3 GLU 62 -4.171 16.600 -13.097 505 H ILE 63 H ILE 63 -2.914 12.298 -10.840 506 HA ILE 63 HA ILE 63 -4.076 12.391 -8.197 507 HB ILE 63 HB ILE 63 -3.471 10.090 -10.096 508 HG12 ILE 63 HG12 ILE 63 -6.108 11.326 -9.278 509 HG13 ILE 63 HG13 ILE 63 -5.221 11.772 -10.726 510 HG21 ILE 63 HG21 ILE 63 -4.855 8.704 -8.606 511 HG22 ILE 63 HG22 ILE 63 -3.398 9.284 -7.767 512 HG23 ILE 63 HG23 ILE 63 -4.972 10.052 -7.450 513 HD11 ILE 63 HD11 ILE 63 -6.984 10.176 -11.233 514 HD12 ILE 63 HD12 ILE 63 -5.385 9.463 -11.553 515 HD13 ILE 63 HD13 ILE 63 -6.285 9.012 -10.085 516 H PHE 64 H PHE 64 -1.529 10.167 -9.368 517 HA PHE 64 HA PHE 64 -0.399 9.377 -7.013 518 HB2 PHE 64 HB2 PHE 64 0.432 8.709 -9.251 519 HB3 PHE 64 HB3 PHE 64 1.148 10.297 -9.469 520 HD1 PHE 64 HD1 PHE 64 1.565 7.007 -8.086 521 HD2 PHE 64 HD2 PHE 64 2.999 11.028 -7.910 522 HE1 PHE 64 HE1 PHE 64 3.644 6.216 -7.009 523 HE2 PHE 64 HE2 PHE 64 5.081 10.241 -6.833 524 HZ PHE 64 HZ PHE 64 5.402 7.833 -6.382 525 H ASP 65 H ASP 65 0.486 12.413 -8.704 526 HA ASP 65 HA ASP 65 2.481 13.166 -6.831 527 HB2 ASP 65 HB2 ASP 65 0.817 14.758 -8.807 528 HB3 ASP 65 HB3 ASP 65 2.030 15.523 -7.789 529 H ARG 66 H ARG 66 -0.988 13.938 -6.993 530 HA ARG 66 HA ARG 66 -0.747 15.832 -4.768 531 HB2 ARG 66 HB2 ARG 66 -3.111 14.823 -6.379 532 HB3 ARG 66 HB3 ARG 66 -3.268 15.957 -5.047 533 HG2 ARG 66 HG2 ARG 66 -1.866 17.579 -6.236 534 HG3 ARG 66 HG3 ARG 66 -1.675 16.427 -7.579 535 HD2 ARG 66 HD2 ARG 66 -4.143 16.424 -7.823 536 HD3 ARG 66 HD3 ARG 66 -4.207 17.728 -6.615 537 HE ARG 66 HE ARG 66 -3.324 17.910 -9.385 538 HH11 ARG 66 HH11 ARG 66 -3.316 19.404 -6.205 539 HH12 ARG 66 HH12 ARG 66 -2.989 21.008 -6.821 540 HH21 ARG 66 HH21 ARG 66 -2.900 19.996 -10.173 541 HH22 ARG 66 HH22 ARG 66 -2.753 21.344 -9.068 542 H TYR 67 H TYR 67 -1.457 12.477 -5.216 543 HA TYR 67 HA TYR 67 -2.410 12.322 -2.388 544 HB2 TYR 67 HB2 TYR 67 -3.400 10.665 -4.746 545 HB3 TYR 67 HB3 TYR 67 -3.884 10.447 -3.070 546 HD1 TYR 67 HD1 TYR 67 -4.584 12.101 -6.139 547 HD2 TYR 67 HD2 TYR 67 -4.985 12.470 -1.884 548 HE1 TYR 67 HE1 TYR 67 -6.410 13.736 -6.453 549 HE2 TYR 67 HE2 TYR 67 -6.813 14.105 -2.198 550 HH TYR 67 HH TYR 67 -8.048 14.886 -5.421 551 H GLY 68 H GLY 68 -1.445 10.056 -4.990 552 HA2 GLY 68 HA2 GLY 68 0.988 9.236 -4.607 553 HA3 GLY 68 HA3 GLY 68 0.403 8.767 -3.022 554 H GLU 69 H GLU 69 0.820 6.567 -3.383 555 HA GLU 69 HA GLU 69 -0.211 5.201 -5.727 556 HB2 GLU 69 HB2 GLU 69 0.922 4.141 -3.107 557 HB3 GLU 69 HB3 GLU 69 0.519 3.137 -4.494 558 HG2 GLU 69 HG2 GLU 69 2.788 3.424 -4.739 559 HG3 GLU 69 HG3 GLU 69 2.144 4.668 -5.808 560 H GLU 70 H GLU 70 -1.220 5.538 -2.339 561 HA GLU 70 HA GLU 70 -3.133 3.427 -2.369 562 HB2 GLU 70 HB2 GLU 70 -2.906 5.930 -0.657 563 HB3 GLU 70 HB3 GLU 70 -4.113 4.685 -0.376 564 HG2 GLU 70 HG2 GLU 70 -2.391 3.035 0.050 565 HG3 GLU 70 HG3 GLU 70 -1.130 4.190 -0.376 566 H GLY 71 H GLY 71 -3.320 6.805 -3.340 567 HA2 GLY 71 HA2 GLY 71 -6.251 6.768 -3.530 568 HA3 GLY 71 HA3 GLY 71 -5.191 8.101 -3.947 569 H LEU 72 H LEU 72 -3.636 5.757 -5.457 570 HA LEU 72 HA LEU 72 -5.129 6.178 -7.990 571 HB2 LEU 72 HB2 LEU 72 -2.780 6.811 -8.027 572 HB3 LEU 72 HB3 LEU 72 -2.302 5.222 -7.423 573 HG LEU 72 HG LEU 72 -3.012 4.177 -9.521 574 HD11 LEU 72 HD11 LEU 72 -3.775 5.558 -11.401 575 HD12 LEU 72 HD12 LEU 72 -4.895 5.648 -10.022 576 HD13 LEU 72 HD13 LEU 72 -3.774 6.992 -10.349 577 HD21 LEU 72 HD21 LEU 72 -1.322 5.222 -10.991 578 HD22 LEU 72 HD22 LEU 72 -1.285 6.652 -9.934 579 HD23 LEU 72 HD23 LEU 72 -0.718 5.079 -9.323 580 H LYS 73 H LYS 73 -3.888 3.645 -5.853 581 HA LYS 73 HA LYS 73 -4.934 1.500 -7.537 582 HB2 LYS 73 HB2 LYS 73 -2.986 1.150 -6.036 583 HB3 LYS 73 HB3 LYS 73 -4.002 1.474 -4.637 584 HG2 LYS 73 HG2 LYS 73 -5.358 -0.511 -5.134 585 HG3 LYS 73 HG3 LYS 73 -4.385 -0.826 -6.576 586 HD2 LYS 73 HD2 LYS 73 -2.373 -1.102 -5.183 587 HD3 LYS 73 HD3 LYS 73 -3.316 -0.736 -3.731 588 HE2 LYS 73 HE2 LYS 73 -4.755 -2.717 -4.199 589 HE3 LYS 73 HE3 LYS 73 -3.745 -3.099 -5.596 590 HZ1 LYS 73 HZ1 LYS 73 -3.103 -4.357 -3.675 591 HZ2 LYS 73 HZ2 LYS 73 -1.878 -3.340 -4.108 592 HZ3 LYS 73 HZ3 LYS 73 -2.822 -2.986 -2.803 593 H GLY 74 H GLY 74 -6.017 3.350 -4.726 594 HA2 GLY 74 HA2 GLY 74 -8.276 3.552 -4.004 595 HA3 GLY 74 HA3 GLY 74 -8.719 2.173 -4.991 596 H SER 75 H SER 75 -6.186 2.613 -2.491 597 HA SER 75 HA SER 75 -7.480 0.469 -0.886 598 HB2 SER 75 HB2 SER 75 -5.326 -0.672 -0.612 599 HB3 SER 75 HB3 SER 75 -5.822 -0.646 -2.297 600 HG SER 75 HG SER 75 -4.063 1.180 -1.074 601 H GLY 76 H GLY 76 -7.081 3.442 -0.683 602 HA2 GLY 76 HA2 GLY 76 -5.075 3.822 1.412 603 HA3 GLY 76 HA3 GLY 76 -6.173 5.035 0.781 604 HA PRO 77 HA PRO 77 -7.345 3.592 5.078 605 HB2 PRO 77 HB2 PRO 77 -7.495 6.603 5.413 606 HB3 PRO 77 HB3 PRO 77 -6.877 5.387 6.538 607 HG2 PRO 77 HG2 PRO 77 -5.128 6.855 5.160 608 HG3 PRO 77 HG3 PRO 77 -4.832 5.125 5.358 609 HD2 PRO 77 HD2 PRO 77 -5.995 6.611 2.966 610 HD3 PRO 77 HD3 PRO 77 -4.766 5.284 2.994 611 H SER 78 H SER 78 -9.428 3.860 6.134 612 HA SER 78 HA SER 78 -11.608 3.943 4.350 613 HB2 SER 78 HB2 SER 78 -13.020 3.907 6.322 614 HB3 SER 78 HB3 SER 78 -11.637 2.853 6.571 615 HG SER 78 HG SER 78 -12.427 4.935 7.975 616 H GLY 79 H GLY 79 -10.357 6.479 6.530 617 HA2 GLY 79 HA2 GLY 79 -11.888 8.454 4.871 618 HA3 GLY 79 HA3 GLY 79 -11.377 8.744 6.523 619 H GLY 80 H GLY 80 -9.635 7.364 3.714 620 HA2 GLY 80 HA2 GLY 80 -7.810 9.718 3.716 621 HA3 GLY 80 HA3 GLY 80 -7.112 8.129 3.961 622 H SER 81 H SER 81 -9.423 7.090 2.155 623 HA SER 81 HA SER 81 -7.816 7.275 -0.304 624 HB2 SER 81 HB2 SER 81 -9.078 5.424 -1.078 625 HB3 SER 81 HB3 SER 81 -8.778 5.116 0.626 626 HG SER 81 HG SER 81 -10.788 5.377 1.064 627 H GLY 82 H GLY 82 -9.313 7.166 -2.392 628 HA2 GLY 82 HA2 GLY 82 -11.070 9.575 -2.297 629 HA3 GLY 82 HA3 GLY 82 -10.337 8.900 -3.740 630 H GLY 83 H GLY 83 -11.831 6.853 -1.306 631 HA2 GLY 83 HA2 GLY 83 -14.299 6.327 -1.480 632 HA3 GLY 83 HA3 GLY 83 -14.074 6.302 -3.218 633 H GLY 84 H GLY 84 -11.327 5.055 -2.798 634 HA2 GLY 84 HA2 GLY 84 -12.144 2.293 -3.015 635 HA3 GLY 84 HA3 GLY 84 -10.496 2.889 -2.972 636 H ALA 85 H ALA 85 -13.332 2.273 -0.889 637 HA ALA 85 HA ALA 85 -11.542 1.072 1.113 638 HB1 ALA 85 HB1 ALA 85 -12.487 2.406 2.970 639 HB2 ALA 85 HB2 ALA 85 -11.603 3.425 1.809 640 HB3 ALA 85 HB3 ALA 85 -13.382 3.396 1.793 641 H ASN 86 H ASN 86 -13.163 -0.335 -0.464 642 HA ASN 86 HA ASN 86 -15.649 -0.800 1.113 643 HB2 ASN 86 HB2 ASN 86 -14.867 -1.633 -1.698 644 HB3 ASN 86 HB3 ASN 86 -16.338 -2.157 -0.890 645 HD21 ASN 86 HD21 ASN 86 -16.620 1.043 -3.014 646 HD22 ASN 86 HD22 ASN 86 -15.647 -0.366 -3.271 647 H GLY 87 H GLY 87 -12.527 -1.972 0.712 648 HA2 GLY 87 HA2 GLY 87 -11.963 -3.774 2.369 649 HA3 GLY 87 HA3 GLY 87 -13.360 -4.651 1.774 650 H THR 88 H THR 88 -13.260 -4.632 -0.871 651 HA THR 88 HA THR 88 -10.652 -5.895 -1.519 652 HB THR 88 HB THR 88 -13.307 -5.933 -3.018 653 HG1 THR 88 HG1 THR 88 -11.988 -8.108 -1.755 654 HG21 THR 88 HG21 THR 88 -12.235 -7.655 -4.415 655 HG22 THR 88 HG22 THR 88 -11.367 -6.107 -4.539 656 HG23 THR 88 HG23 THR 88 -10.705 -7.421 -3.538 657 H SER 89 H SER 89 -9.149 -4.762 -2.487 658 HA SER 89 HA SER 89 -9.982 -2.361 -4.043 659 HB2 SER 89 HB2 SER 89 -7.322 -3.114 -2.788 660 HB3 SER 89 HB3 SER 89 -7.591 -1.676 -3.759 661 HG SER 89 HG SER 89 -8.609 -0.784 -2.204 662 H PHE 90 H PHE 90 -9.488 -2.100 -6.142 663 HA PHE 90 HA PHE 90 -8.492 -4.407 -7.627 664 HB2 PHE 90 HB2 PHE 90 -10.282 -2.922 -8.518 665 HB3 PHE 90 HB3 PHE 90 -9.144 -1.586 -8.570 666 HD1 PHE 90 HD1 PHE 90 -9.468 -5.106 -9.799 667 HD2 PHE 90 HD2 PHE 90 -8.061 -1.142 -10.550 668 HE1 PHE 90 HE1 PHE 90 -8.776 -5.785 -12.073 669 HE2 PHE 90 HE2 PHE 90 -7.371 -1.817 -12.827 670 HZ PHE 90 HZ PHE 90 -7.727 -4.139 -13.587 671 H SER 91 H SER 91 -6.613 -4.582 -8.807 672 HA SER 91 HA SER 91 -4.298 -3.434 -7.586 673 HB2 SER 91 HB2 SER 91 -3.043 -4.615 -9.261 674 HB3 SER 91 HB3 SER 91 -4.385 -5.637 -8.767 675 HG SER 91 HG SER 91 -4.261 -3.977 -11.037 676 H TYR 92 H TYR 92 -2.639 -2.132 -8.585 677 HA TYR 92 HA TYR 92 -3.350 0.286 -9.722 678 HB2 TYR 92 HB2 TYR 92 -0.839 -1.332 -10.323 679 HB3 TYR 92 HB3 TYR 92 -1.038 0.386 -10.641 680 HD1 TYR 92 HD1 TYR 92 -0.255 -2.136 -8.180 681 HD2 TYR 92 HD2 TYR 92 -1.371 1.972 -8.716 682 HE1 TYR 92 HE1 TYR 92 0.539 -1.622 -5.897 683 HE2 TYR 92 HE2 TYR 92 -0.577 2.486 -6.433 684 HH TYR 92 HH TYR 92 0.811 -0.046 -4.354 685 H THR 93 H THR 93 -3.470 1.179 -11.779 686 HA THR 93 HA THR 93 -5.020 -0.542 -13.508 687 HB THR 93 HB THR 93 -5.557 1.870 -13.175 688 HG1 THR 93 HG1 THR 93 -6.451 1.622 -15.067 689 HG21 THR 93 HG21 THR 93 -4.206 3.566 -14.346 690 HG22 THR 93 HG22 THR 93 -3.241 2.731 -13.105 691 HG23 THR 93 HG23 THR 93 -3.037 2.313 -14.823 692 H PHE 94 H PHE 94 -3.344 -2.144 -13.942 693 HA PHE 94 HA PHE 94 -1.002 -1.321 -15.471 694 HB2 PHE 94 HB2 PHE 94 -2.136 -4.061 -14.785 695 HB3 PHE 94 HB3 PHE 94 -0.628 -3.813 -15.653 696 HD1 PHE 94 HD1 PHE 94 -1.604 -4.905 -12.708 697 HD2 PHE 94 HD2 PHE 94 0.623 -1.596 -14.238 698 HE1 PHE 94 HE1 PHE 94 -0.398 -4.724 -10.557 699 HE2 PHE 94 HE2 PHE 94 1.833 -1.414 -12.090 700 HZ PHE 94 HZ PHE 94 1.320 -2.978 -10.248 701 H HIS 95 H HIS 95 -4.235 -1.832 -16.259 702 HA HIS 95 HA HIS 95 -4.017 -2.761 -18.952 703 HB2 HIS 95 HB2 HIS 95 -6.178 -2.455 -17.793 704 HB3 HIS 95 HB3 HIS 95 -5.929 -0.716 -17.765 705 HD2 HIS 95 HD2 HIS 95 -6.988 0.613 -20.053 706 HE1 HIS 95 HE1 HIS 95 -7.375 -2.900 -22.410 707 H GLY 96 H GLY 96 -4.274 0.665 -17.865 708 HA2 GLY 96 HA2 GLY 96 -2.988 1.890 -20.044 709 HA3 GLY 96 HA3 GLY 96 -2.889 2.452 -18.386 710 H ASP 97 H ASP 97 -1.360 0.532 -20.893 711 HA ASP 97 HA ASP 97 1.053 0.242 -19.152 712 HB2 ASP 97 HB2 ASP 97 -0.034 -1.942 -19.467 713 HB3 ASP 97 HB3 ASP 97 -0.033 -1.720 -21.211 714 HA PRO 98 HA PRO 98 2.441 2.573 -22.719 715 HB2 PRO 98 HB2 PRO 98 4.399 3.995 -21.458 716 HB3 PRO 98 HB3 PRO 98 2.690 4.414 -21.277 717 HG2 PRO 98 HG2 PRO 98 4.456 2.756 -19.422 718 HG3 PRO 98 HG3 PRO 98 3.391 4.099 -19.001 719 HD2 PRO 98 HD2 PRO 98 2.590 1.500 -18.736 720 HD3 PRO 98 HD3 PRO 98 1.431 2.810 -19.202 721 H HIS 99 H HIS 99 3.168 -0.187 -22.245 722 HA HIS 99 HA HIS 99 6.001 -0.146 -23.119 723 HB2 HIS 99 HB2 HIS 99 5.129 -2.076 -21.808 724 HB3 HIS 99 HB3 HIS 99 3.981 -2.417 -23.095 725 HD2 HIS 99 HD2 HIS 99 4.923 -4.292 -24.816 726 HE1 HIS 99 HE1 HIS 99 9.088 -3.645 -24.186 727 H ALA 100 H ALA 100 2.795 0.067 -24.438 728 HA ALA 100 HA ALA 100 3.706 -0.335 -27.183 729 HB1 ALA 100 HB1 ALA 100 1.467 0.525 -27.791 730 HB2 ALA 100 HB2 ALA 100 1.368 -0.772 -26.576 731 HB3 ALA 100 HB3 ALA 100 1.167 0.925 -26.085 732 H MET 101 H MET 101 2.895 2.475 -25.126 733 HA MET 101 HA MET 101 3.812 4.481 -26.913 734 HB2 MET 101 HB2 MET 101 3.858 4.325 -23.878 735 HB3 MET 101 HB3 MET 101 4.296 5.771 -24.778 736 HG2 MET 101 HG2 MET 101 2.084 6.045 -25.613 737 HG3 MET 101 HG3 MET 101 1.606 4.425 -25.097 738 HE1 MET 101 HE1 MET 101 2.436 7.946 -22.210 739 HE2 MET 101 HE2 MET 101 3.726 7.136 -23.134 740 HE3 MET 101 HE3 MET 101 2.477 8.078 -23.985 741 H PHE 102 H PHE 102 5.576 2.453 -24.586 742 HA PHE 102 HA PHE 102 8.146 3.606 -25.040 743 HB2 PHE 102 HB2 PHE 102 7.708 2.107 -23.150 744 HB3 PHE 102 HB3 PHE 102 7.358 0.776 -24.241 745 HD1 PHE 102 HD1 PHE 102 10.090 3.205 -23.451 746 HD2 PHE 102 HD2 PHE 102 9.033 -0.728 -24.740 747 HE1 PHE 102 HE1 PHE 102 12.475 2.555 -23.417 748 HE2 PHE 102 HE2 PHE 102 11.416 -1.383 -24.705 749 HZ PHE 102 HZ PHE 102 13.137 0.260 -24.044 750 H ALA 103 H ALA 103 6.539 0.782 -26.541 751 HA ALA 103 HA ALA 103 8.536 0.147 -28.415 752 HB1 ALA 103 HB1 ALA 103 6.707 -0.819 -29.771 753 HB2 ALA 103 HB2 ALA 103 6.545 -1.241 -28.050 754 HB3 ALA 103 HB3 ALA 103 5.517 0.027 -28.756 755 H GLU 104 H GLU 104 6.126 2.721 -28.457 756 HA GLU 104 HA GLU 104 6.760 3.545 -31.175 757 HB2 GLU 104 HB2 GLU 104 4.560 4.024 -30.145 758 HB3 GLU 104 HB3 GLU 104 5.336 5.021 -28.922 759 HG2 GLU 104 HG2 GLU 104 4.369 6.444 -30.579 760 HG3 GLU 104 HG3 GLU 104 6.124 6.556 -30.699 761 H PHE 105 H PHE 105 7.729 4.545 -27.906 762 HA PHE 105 HA PHE 105 9.106 6.918 -28.812 763 HB2 PHE 105 HB2 PHE 105 9.253 5.359 -26.203 764 HB3 PHE 105 HB3 PHE 105 10.075 6.887 -26.478 765 HD1 PHE 105 HD1 PHE 105 7.559 7.784 -28.307 766 HD2 PHE 105 HD2 PHE 105 8.115 6.440 -24.290 767 HE1 PHE 105 HE1 PHE 105 5.522 9.005 -27.618 768 HE2 PHE 105 HE2 PHE 105 6.079 7.658 -23.598 769 HZ PHE 105 HZ PHE 105 4.783 8.942 -25.263 770 H PHE 106 H PHE 106 10.255 3.724 -27.651 771 HA PHE 106 HA PHE 106 12.930 4.435 -28.784 772 HB2 PHE 106 HB2 PHE 106 12.281 2.779 -26.312 773 HB3 PHE 106 HB3 PHE 106 13.891 2.993 -26.982 774 HD1 PHE 106 HD1 PHE 106 11.299 4.414 -24.917 775 HD2 PHE 106 HD2 PHE 106 14.920 5.282 -27.014 776 HE1 PHE 106 HE1 PHE 106 11.584 6.468 -23.572 777 HE2 PHE 106 HE2 PHE 106 15.210 7.335 -25.668 778 HZ PHE 106 HZ PHE 106 13.539 7.929 -23.947 779 H GLY 107 H GLY 107 10.464 1.967 -28.324 780 HA2 GLY 107 HA2 GLY 107 10.079 0.017 -29.546 781 HA3 GLY 107 HA3 GLY 107 11.404 0.449 -30.611 782 H GLY 108 H GLY 108 11.975 0.381 -27.170 783 HA2 GLY 108 HA2 GLY 108 13.287 -1.046 -25.867 784 HA3 GLY 108 HA3 GLY 108 13.110 -2.295 -27.084 785 H ARG 109 H ARG 109 14.616 0.958 -26.817 786 HA ARG 109 HA ARG 109 17.193 -0.124 -27.720 787 HB2 ARG 109 HB2 ARG 109 15.640 1.868 -29.408 788 HB3 ARG 109 HB3 ARG 109 17.335 1.466 -29.639 789 HG2 ARG 109 HG2 ARG 109 16.685 -0.891 -30.086 790 HG3 ARG 109 HG3 ARG 109 14.977 -0.406 -29.955 791 HD2 ARG 109 HD2 ARG 109 16.965 0.767 -31.886 792 HD3 ARG 109 HD3 ARG 109 15.796 -0.519 -32.265 793 HE ARG 109 HE ARG 109 14.325 1.579 -31.174 794 HH11 ARG 109 HH11 ARG 109 16.402 1.054 -33.959 795 HH12 ARG 109 HH12 ARG 109 15.572 2.227 -34.957 796 HH21 ARG 109 HH21 ARG 109 13.257 3.100 -32.479 797 HH22 ARG 109 HH22 ARG 109 13.792 3.386 -34.121 798 H ASN 110 H ASN 110 18.920 1.434 -27.624 799 HA ASN 110 HA ASN 110 18.198 3.940 -26.163 800 HB2 ASN 110 HB2 ASN 110 19.279 2.343 -24.631 801 HB3 ASN 110 HB3 ASN 110 20.644 2.192 -25.730 802 HD21 ASN 110 HD21 ASN 110 21.846 4.536 -23.283 803 HD22 ASN 110 HD22 ASN 110 21.553 2.842 -23.494 Start of MODEL 5 1 H1 MET 1 1H MET 1 5.194 -6.281 -4.510 2 H2 MET 1 2H MET 1 4.922 -5.177 -5.682 3 H3 MET 1 3H MET 1 6.449 -5.499 -5.203 4 HA MET 1 HA MET 1 4.361 -4.261 -3.597 5 HB2 MET 1 HB2 MET 1 7.266 -4.896 -2.952 6 HB3 MET 1 HB3 MET 1 6.208 -3.918 -1.944 7 HG2 MET 1 HG2 MET 1 5.763 -6.836 -2.638 8 HG3 MET 1 HG3 MET 1 6.429 -6.225 -1.122 9 HE1 MET 1 HE1 MET 1 3.430 -4.480 0.580 10 HE2 MET 1 HE2 MET 1 5.080 -5.124 0.773 11 HE3 MET 1 HE3 MET 1 4.781 -3.753 -0.323 12 H GLY 2 H GLY 2 5.095 -3.494 -6.258 13 HA2 GLY 2 HA2 GLY 2 6.946 -1.272 -6.161 14 HA3 GLY 2 HA3 GLY 2 5.792 -1.611 -7.437 15 H LYS 3 H LYS 3 6.153 -0.213 -4.191 16 HA LYS 3 HA LYS 3 3.560 1.209 -4.530 17 HB2 LYS 3 HB2 LYS 3 5.339 0.755 -2.104 18 HB3 LYS 3 HB3 LYS 3 3.933 1.810 -2.087 19 HG2 LYS 3 HG2 LYS 3 2.503 -0.132 -2.715 20 HG3 LYS 3 HG3 LYS 3 3.930 -1.173 -2.622 21 HD2 LYS 3 HD2 LYS 3 4.233 -0.603 -0.256 22 HD3 LYS 3 HD3 LYS 3 2.868 0.523 -0.331 23 HE2 LYS 3 HE2 LYS 3 1.353 -1.354 -0.887 24 HE3 LYS 3 HE3 LYS 3 2.713 -2.477 -0.805 25 HZ1 LYS 3 HZ1 LYS 3 1.462 -2.454 1.226 26 HZ2 LYS 3 HZ2 LYS 3 2.986 -1.885 1.505 27 HZ3 LYS 3 HZ3 LYS 3 1.715 -0.837 1.428 28 H ASP 4 H ASP 4 7.026 1.719 -4.211 29 HA ASP 4 HA ASP 4 6.574 4.643 -4.558 30 HB2 ASP 4 HB2 ASP 4 8.106 3.948 -2.725 31 HB3 ASP 4 HB3 ASP 4 9.129 3.123 -3.892 32 H TYR 5 H TYR 5 6.158 4.963 -6.675 33 HA TYR 5 HA TYR 5 7.196 3.308 -8.753 34 HB2 TYR 5 HB2 TYR 5 6.074 6.135 -8.937 35 HB3 TYR 5 HB3 TYR 5 6.288 5.029 -10.287 36 HD1 TYR 5 HD1 TYR 5 5.398 2.985 -7.636 37 HD2 TYR 5 HD2 TYR 5 3.731 5.936 -10.267 38 HE1 TYR 5 HE1 TYR 5 3.139 2.064 -7.240 39 HE2 TYR 5 HE2 TYR 5 1.472 5.014 -9.871 40 HH TYR 5 HH TYR 5 0.986 2.055 -8.051 41 H TYR 6 H TYR 6 8.452 6.159 -7.183 42 HA TYR 6 HA TYR 6 10.408 6.742 -9.256 43 HB2 TYR 6 HB2 TYR 6 10.397 7.619 -6.341 44 HB3 TYR 6 HB3 TYR 6 11.325 8.339 -7.649 45 HD1 TYR 6 HD1 TYR 6 8.626 8.887 -5.638 46 HD2 TYR 6 HD2 TYR 6 9.653 8.877 -9.804 47 HE1 TYR 6 HE1 TYR 6 6.767 10.448 -6.100 48 HE2 TYR 6 HE2 TYR 6 7.794 10.439 -10.267 49 HH TYR 6 HH TYR 6 5.997 11.968 -7.709 50 H GLN 7 H GLN 7 10.338 4.837 -6.289 51 HA GLN 7 HA GLN 7 13.153 4.188 -6.339 52 HB2 GLN 7 HB2 GLN 7 11.710 3.949 -4.314 53 HB3 GLN 7 HB3 GLN 7 10.831 2.651 -5.108 54 HG2 GLN 7 HG2 GLN 7 12.434 1.735 -3.567 55 HG3 GLN 7 HG3 GLN 7 12.922 1.335 -5.238 56 HE21 GLN 7 HE21 GLN 7 16.136 2.468 -4.628 57 HE22 GLN 7 HE22 GLN 7 15.076 1.259 -5.273 58 H THR 8 H THR 8 10.380 3.098 -8.100 59 HA THR 8 HA THR 8 11.752 0.605 -8.926 60 HB THR 8 HB THR 8 9.621 0.048 -10.052 61 HG1 THR 8 HG1 THR 8 9.234 2.682 -9.879 62 HG21 THR 8 HG21 THR 8 8.207 -0.123 -8.042 63 HG22 THR 8 HG22 THR 8 9.899 -0.521 -7.665 64 HG23 THR 8 HG23 THR 8 9.235 1.066 -7.211 65 H LEU 9 H LEU 9 10.844 3.771 -10.136 66 HA LEU 9 HA LEU 9 11.745 3.154 -12.854 67 HB2 LEU 9 HB2 LEU 9 9.979 4.859 -12.333 68 HB3 LEU 9 HB3 LEU 9 11.215 5.847 -11.548 69 HG LEU 9 HG LEU 9 12.394 6.099 -13.696 70 HD11 LEU 9 HD11 LEU 9 11.358 5.275 -15.764 71 HD12 LEU 9 HD12 LEU 9 11.800 3.941 -14.672 72 HD13 LEU 9 HD13 LEU 9 10.101 4.456 -14.807 73 HD21 LEU 9 HD21 LEU 9 10.680 7.494 -14.804 74 HD22 LEU 9 HD22 LEU 9 9.412 6.706 -13.834 75 HD23 LEU 9 HD23 LEU 9 10.643 7.716 -13.038 76 H GLY 10 H GLY 10 12.997 4.856 -9.989 77 HA2 GLY 10 HA2 GLY 10 15.332 4.499 -9.394 78 HA3 GLY 10 HA3 GLY 10 15.733 4.400 -11.098 79 H LEU 11 H LEU 11 13.548 6.819 -9.733 80 HA LEU 11 HA LEU 11 15.654 8.895 -10.135 81 HB2 LEU 11 HB2 LEU 11 12.770 8.980 -11.084 82 HB3 LEU 11 HB3 LEU 11 13.846 10.380 -11.055 83 HG LEU 11 HG LEU 11 14.313 7.863 -12.695 84 HD11 LEU 11 HD11 LEU 11 13.690 9.274 -14.603 85 HD12 LEU 11 HD12 LEU 11 12.347 9.099 -13.450 86 HD13 LEU 11 HD13 LEU 11 13.295 10.605 -13.491 87 HD21 LEU 11 HD21 LEU 11 16.058 9.245 -13.769 88 HD22 LEU 11 HD22 LEU 11 15.696 10.577 -12.646 89 HD23 LEU 11 HD23 LEU 11 16.376 9.052 -12.028 90 H ALA 12 H ALA 12 14.980 11.040 -9.150 91 HA ALA 12 HA ALA 12 13.621 10.668 -6.580 92 HB1 ALA 12 HB1 ALA 12 14.058 13.083 -6.277 93 HB2 ALA 12 HB2 ALA 12 15.533 12.198 -6.734 94 HB3 ALA 12 HB3 ALA 12 14.669 13.174 -7.945 95 H ARG 13 H ARG 13 11.842 12.100 -5.913 96 HA ARG 13 HA ARG 13 9.631 11.625 -7.672 97 HB2 ARG 13 HB2 ARG 13 8.271 12.582 -5.973 98 HB3 ARG 13 HB3 ARG 13 9.557 11.719 -5.144 99 HG2 ARG 13 HG2 ARG 13 10.737 13.833 -4.741 100 HG3 ARG 13 HG3 ARG 13 9.447 14.713 -5.595 101 HD2 ARG 13 HD2 ARG 13 9.079 13.022 -3.134 102 HD3 ARG 13 HD3 ARG 13 9.200 14.796 -3.171 103 HE ARG 13 HE ARG 13 7.159 14.022 -4.948 104 HH11 ARG 13 HH11 ARG 13 7.847 13.988 -1.503 105 HH12 ARG 13 HH12 ARG 13 6.164 14.098 -1.039 106 HH21 ARG 13 HH21 ARG 13 4.977 14.165 -4.332 107 HH22 ARG 13 HH22 ARG 13 4.539 14.199 -2.639 108 H GLY 14 H GLY 14 11.936 14.107 -7.596 109 HA2 GLY 14 HA2 GLY 14 10.042 16.051 -8.869 110 HA3 GLY 14 HA3 GLY 14 11.430 16.522 -7.907 111 H ALA 15 H ALA 15 11.776 13.776 -10.008 112 HA ALA 15 HA ALA 15 13.958 14.974 -11.415 113 HB1 ALA 15 HB1 ALA 15 13.898 12.928 -12.804 114 HB2 ALA 15 HB2 ALA 15 13.790 12.550 -11.068 115 HB3 ALA 15 HB3 ALA 15 12.330 12.495 -12.083 116 H SER 16 H SER 16 14.000 14.762 -13.934 117 HA SER 16 HA SER 16 11.868 16.652 -14.788 118 HB2 SER 16 HB2 SER 16 13.435 17.376 -16.496 119 HB3 SER 16 HB3 SER 16 14.215 17.418 -14.922 120 HG SER 16 HG SER 16 15.229 15.528 -15.377 121 H ASP 17 H ASP 17 11.106 16.559 -17.012 122 HA ASP 17 HA ASP 17 9.993 14.071 -17.682 123 HB2 ASP 17 HB2 ASP 17 10.563 16.516 -19.395 124 HB3 ASP 17 HB3 ASP 17 9.677 15.121 -19.996 125 H GLU 18 H GLU 18 12.969 15.602 -18.896 126 HA GLU 18 HA GLU 18 13.574 13.612 -20.848 127 HB2 GLU 18 HB2 GLU 18 14.666 15.828 -20.792 128 HB3 GLU 18 HB3 GLU 18 15.444 15.425 -19.267 129 HG2 GLU 18 HG2 GLU 18 16.699 13.625 -20.370 130 HG3 GLU 18 HG3 GLU 18 15.906 14.003 -21.898 131 H GLU 19 H GLU 19 14.636 13.974 -17.455 132 HA GLU 19 HA GLU 19 16.243 11.627 -17.383 133 HB2 GLU 19 HB2 GLU 19 14.747 13.155 -15.226 134 HB3 GLU 19 HB3 GLU 19 15.735 11.747 -14.862 135 HG2 GLU 19 HG2 GLU 19 17.723 12.836 -15.623 136 HG3 GLU 19 HG3 GLU 19 16.804 14.175 -16.306 137 H ILE 20 H ILE 20 12.785 12.139 -16.743 138 HA ILE 20 HA ILE 20 12.181 9.511 -15.858 139 HB ILE 20 HB ILE 20 10.508 11.597 -17.304 140 HG12 ILE 20 HG12 ILE 20 10.362 10.636 -14.444 141 HG13 ILE 20 HG13 ILE 20 11.358 11.991 -14.949 142 HG21 ILE 20 HG21 ILE 20 8.545 10.233 -16.714 143 HG22 ILE 20 HG22 ILE 20 9.620 9.358 -17.828 144 HG23 ILE 20 HG23 ILE 20 9.615 8.953 -16.096 145 HD11 ILE 20 HD11 ILE 20 9.227 12.753 -14.059 146 HD12 ILE 20 HD12 ILE 20 9.365 13.160 -15.786 147 HD13 ILE 20 HD13 ILE 20 8.356 11.788 -15.273 148 H LYS 21 H LYS 21 12.288 10.908 -19.130 149 HA LYS 21 HA LYS 21 11.347 8.564 -20.474 150 HB2 LYS 21 HB2 LYS 21 13.040 10.911 -21.399 151 HB3 LYS 21 HB3 LYS 21 12.523 9.626 -22.483 152 HG2 LYS 21 HG2 LYS 21 10.171 10.168 -22.043 153 HG3 LYS 21 HG3 LYS 21 10.663 11.425 -20.900 154 HD2 LYS 21 HD2 LYS 21 11.860 12.605 -22.728 155 HD3 LYS 21 HD3 LYS 21 11.333 11.356 -23.866 156 HE2 LYS 21 HE2 LYS 21 8.974 11.927 -23.409 157 HE3 LYS 21 HE3 LYS 21 9.488 13.161 -22.256 158 HZ1 LYS 21 HZ1 LYS 21 8.988 14.101 -24.391 159 HZ2 LYS 21 HZ2 LYS 21 10.591 14.301 -24.058 160 HZ3 LYS 21 HZ3 LYS 21 10.109 13.148 -25.135 161 H ARG 22 H ARG 22 14.650 9.765 -19.834 162 HA ARG 22 HA ARG 22 15.987 7.552 -21.048 163 HB2 ARG 22 HB2 ARG 22 16.857 9.438 -18.835 164 HB3 ARG 22 HB3 ARG 22 17.921 8.267 -19.599 165 HG2 ARG 22 HG2 ARG 22 17.610 9.380 -21.767 166 HG3 ARG 22 HG3 ARG 22 16.530 10.567 -20.995 167 HD2 ARG 22 HD2 ARG 22 18.405 11.149 -19.471 168 HD3 ARG 22 HD3 ARG 22 19.452 10.108 -20.463 169 HE ARG 22 HE ARG 22 18.411 12.737 -21.136 170 HH11 ARG 22 HH11 ARG 22 19.773 9.742 -22.367 171 HH12 ARG 22 HH12 ARG 22 20.355 10.470 -23.848 172 HH21 ARG 22 HH21 ARG 22 19.171 13.670 -23.062 173 HH22 ARG 22 HH22 ARG 22 20.014 12.693 -24.242 174 H ALA 23 H ALA 23 15.285 8.239 -17.598 175 HA ALA 23 HA ALA 23 16.220 5.859 -16.494 176 HB1 ALA 23 HB1 ALA 23 14.567 6.223 -14.691 177 HB2 ALA 23 HB2 ALA 23 15.387 7.734 -15.148 178 HB3 ALA 23 HB3 ALA 23 13.730 7.416 -15.710 179 H TYR 24 H TYR 24 13.019 6.482 -17.936 180 HA TYR 24 HA TYR 24 11.962 3.891 -17.326 181 HB2 TYR 24 HB2 TYR 24 10.492 5.772 -17.853 182 HB3 TYR 24 HB3 TYR 24 11.189 5.918 -19.461 183 HD1 TYR 24 HD1 TYR 24 9.417 3.447 -17.277 184 HD2 TYR 24 HD2 TYR 24 10.168 4.874 -21.253 185 HE1 TYR 24 HE1 TYR 24 7.713 1.889 -18.159 186 HE2 TYR 24 HE2 TYR 24 8.463 3.316 -22.135 187 HH TYR 24 HH TYR 24 6.401 2.136 -21.218 188 H ARG 25 H ARG 25 12.915 5.167 -20.549 189 HA ARG 25 HA ARG 25 13.308 3.072 -22.125 190 HB2 ARG 25 HB2 ARG 25 14.351 5.331 -22.453 191 HB3 ARG 25 HB3 ARG 25 15.652 4.853 -21.373 192 HG2 ARG 25 HG2 ARG 25 15.915 2.844 -23.059 193 HG3 ARG 25 HG3 ARG 25 15.063 3.952 -24.162 194 HD2 ARG 25 HD2 ARG 25 17.600 4.520 -22.647 195 HD3 ARG 25 HD3 ARG 25 17.443 4.192 -24.388 196 HE ARG 25 HE ARG 25 15.802 6.401 -23.571 197 HH11 ARG 25 HH11 ARG 25 19.103 5.480 -24.341 198 HH12 ARG 25 HH12 ARG 25 19.570 7.091 -24.836 199 HH21 ARG 25 HH21 ARG 25 16.420 8.488 -24.215 200 HH22 ARG 25 HH22 ARG 25 18.052 8.796 -24.764 201 H ARG 26 H ARG 26 15.734 3.725 -19.559 202 HA ARG 26 HA ARG 26 17.229 1.374 -19.989 203 HB2 ARG 26 HB2 ARG 26 16.838 3.055 -17.496 204 HB3 ARG 26 HB3 ARG 26 17.976 1.719 -17.578 205 HG2 ARG 26 HG2 ARG 26 19.225 2.839 -19.343 206 HG3 ARG 26 HG3 ARG 26 18.039 4.166 -19.363 207 HD2 ARG 26 HD2 ARG 26 18.591 4.708 -17.072 208 HD3 ARG 26 HD3 ARG 26 19.753 3.361 -17.023 209 HE ARG 26 HE ARG 26 20.482 4.937 -19.197 210 HH11 ARG 26 HH11 ARG 26 20.160 5.331 -15.722 211 HH12 ARG 26 HH12 ARG 26 21.417 6.544 -15.616 212 HH21 ARG 26 HH21 ARG 26 22.111 6.512 -19.049 213 HH22 ARG 26 HH22 ARG 26 22.522 7.213 -17.499 214 H GLN 27 H GLN 27 14.435 1.966 -17.870 215 HA GLN 27 HA GLN 27 14.689 -0.614 -16.554 216 HB2 GLN 27 HB2 GLN 27 12.503 1.500 -16.546 217 HB3 GLN 27 HB3 GLN 27 12.410 0.017 -15.607 218 HG2 GLN 27 HG2 GLN 27 14.516 2.172 -15.342 219 HG3 GLN 27 HG3 GLN 27 13.162 1.846 -14.224 220 HE21 GLN 27 HE21 GLN 27 14.886 -0.508 -12.364 221 HE22 GLN 27 HE22 GLN 27 13.531 0.557 -12.538 222 H ALA 28 H ALA 28 12.495 0.775 -18.999 223 HA ALA 28 HA ALA 28 10.973 -1.596 -19.420 224 HB1 ALA 28 HB1 ALA 28 10.374 -0.573 -21.591 225 HB2 ALA 28 HB2 ALA 28 10.263 0.599 -20.257 226 HB3 ALA 28 HB3 ALA 28 11.655 0.640 -21.364 227 H LEU 29 H LEU 29 14.040 -0.472 -20.806 228 HA LEU 29 HA LEU 29 14.455 -2.719 -22.525 229 HB2 LEU 29 HB2 LEU 29 16.370 -0.885 -21.052 230 HB3 LEU 29 HB3 LEU 29 16.913 -2.151 -22.157 231 HG LEU 29 HG LEU 29 15.101 0.155 -22.951 232 HD11 LEU 29 HD11 LEU 29 17.108 1.078 -24.023 233 HD12 LEU 29 HD12 LEU 29 17.303 0.952 -22.259 234 HD13 LEU 29 HD13 LEU 29 18.084 -0.237 -23.328 235 HD21 LEU 29 HD21 LEU 29 15.677 -0.590 -25.236 236 HD22 LEU 29 HD22 LEU 29 16.634 -1.930 -24.559 237 HD23 LEU 29 HD23 LEU 29 14.870 -1.888 -24.324 238 H ARG 30 H ARG 30 15.056 -2.181 -19.074 239 HA ARG 30 HA ARG 30 16.612 -4.514 -18.603 240 HB2 ARG 30 HB2 ARG 30 16.328 -2.605 -17.009 241 HB3 ARG 30 HB3 ARG 30 14.687 -3.146 -16.691 242 HG2 ARG 30 HG2 ARG 30 15.572 -5.285 -15.821 243 HG3 ARG 30 HG3 ARG 30 17.226 -4.687 -16.097 244 HD2 ARG 30 HD2 ARG 30 15.163 -3.394 -14.328 245 HD3 ARG 30 HD3 ARG 30 16.512 -4.420 -13.786 246 HE ARG 30 HE ARG 30 16.624 -1.650 -14.643 247 HH11 ARG 30 HH11 ARG 30 18.444 -4.621 -14.192 248 HH12 ARG 30 HH12 ARG 30 19.983 -3.804 -14.047 249 HH21 ARG 30 HH21 ARG 30 18.630 -0.600 -14.453 250 HH22 ARG 30 HH22 ARG 30 20.090 -1.529 -14.196 251 H TYR 31 H TYR 31 13.104 -3.974 -18.645 252 HA TYR 31 HA TYR 31 12.710 -6.859 -18.001 253 HB2 TYR 31 HB2 TYR 31 10.816 -4.485 -17.796 254 HB3 TYR 31 HB3 TYR 31 10.335 -6.154 -17.521 255 HD1 TYR 31 HD1 TYR 31 12.005 -3.238 -16.153 256 HD2 TYR 31 HD2 TYR 31 11.279 -7.431 -15.604 257 HE1 TYR 31 HE1 TYR 31 12.700 -3.049 -13.788 258 HE2 TYR 31 HE2 TYR 31 11.973 -7.242 -13.240 259 HH TYR 31 HH TYR 31 12.769 -5.907 -11.657 260 H HIS 32 H HIS 32 13.092 -5.040 -20.648 261 HA HIS 32 HA HIS 32 11.092 -5.800 -22.464 262 HB2 HIS 32 HB2 HIS 32 13.208 -4.451 -22.929 263 HB3 HIS 32 HB3 HIS 32 14.067 -5.982 -23.030 264 HD2 HIS 32 HD2 HIS 32 11.844 -3.724 -25.217 265 HE1 HIS 32 HE1 HIS 32 12.451 -7.366 -27.347 266 HE2 HIS 32 HE2 HIS 32 11.582 -4.973 -27.486 267 HA PRO 33 HA PRO 33 10.654 -10.057 -22.307 268 HB2 PRO 33 HB2 PRO 33 10.496 -9.773 -25.346 269 HB3 PRO 33 HB3 PRO 33 9.458 -10.720 -24.272 270 HG2 PRO 33 HG2 PRO 33 8.560 -8.368 -25.112 271 HG3 PRO 33 HG3 PRO 33 8.351 -8.790 -23.411 272 HD2 PRO 33 HD2 PRO 33 10.391 -6.947 -24.695 273 HD3 PRO 33 HD3 PRO 33 9.522 -6.771 -23.117 274 H ASP 34 H ASP 34 12.843 -8.664 -24.747 275 HA ASP 34 HA ASP 34 14.286 -11.212 -25.056 276 HB2 ASP 34 HB2 ASP 34 14.675 -8.468 -26.312 277 HB3 ASP 34 HB3 ASP 34 15.700 -9.854 -26.657 278 H LYS 35 H LYS 35 14.237 -9.169 -22.622 279 HA LYS 35 HA LYS 35 17.205 -9.170 -22.269 280 HB2 LYS 35 HB2 LYS 35 15.219 -7.020 -21.431 281 HB3 LYS 35 HB3 LYS 35 16.910 -7.056 -20.950 282 HG2 LYS 35 HG2 LYS 35 15.917 -6.863 -23.811 283 HG3 LYS 35 HG3 LYS 35 16.483 -5.510 -22.820 284 HD2 LYS 35 HD2 LYS 35 18.696 -6.651 -22.590 285 HD3 LYS 35 HD3 LYS 35 18.118 -7.929 -23.670 286 HE2 LYS 35 HE2 LYS 35 17.751 -6.243 -25.451 287 HE3 LYS 35 HE3 LYS 35 18.356 -4.980 -24.376 288 HZ1 LYS 35 HZ1 LYS 35 20.051 -5.761 -25.860 289 HZ2 LYS 35 HZ2 LYS 35 20.460 -6.130 -24.306 290 HZ3 LYS 35 HZ3 LYS 35 19.896 -7.308 -25.312 291 H ASN 36 H ASN 36 14.014 -9.494 -20.816 292 HA ASN 36 HA ASN 36 15.241 -11.062 -18.636 293 HB2 ASN 36 HB2 ASN 36 15.149 -8.755 -17.753 294 HB3 ASN 36 HB3 ASN 36 13.427 -8.687 -18.102 295 HD21 ASN 36 HD21 ASN 36 14.814 -10.472 -14.755 296 HD22 ASN 36 HD22 ASN 36 15.861 -9.758 -15.935 297 H LYS 37 H LYS 37 14.186 -12.867 -18.358 298 HA LYS 37 HA LYS 37 11.233 -12.838 -18.792 299 HB2 LYS 37 HB2 LYS 37 13.194 -15.004 -19.647 300 HB3 LYS 37 HB3 LYS 37 11.446 -15.190 -19.653 301 HG2 LYS 37 HG2 LYS 37 11.272 -13.316 -21.278 302 HG3 LYS 37 HG3 LYS 37 13.038 -13.209 -21.304 303 HD2 LYS 37 HD2 LYS 37 13.164 -15.559 -22.086 304 HD3 LYS 37 HD3 LYS 37 11.397 -15.649 -22.077 305 HE2 LYS 37 HE2 LYS 37 11.304 -13.808 -23.738 306 HE3 LYS 37 HE3 LYS 37 13.068 -13.749 -23.762 307 HZ1 LYS 37 HZ1 LYS 37 12.205 -15.042 -25.571 308 HZ2 LYS 37 HZ2 LYS 37 13.076 -16.011 -24.560 309 HZ3 LYS 37 HZ3 LYS 37 11.428 -16.067 -24.539 310 H GLU 38 H GLU 38 10.924 -12.566 -16.570 311 HA GLU 38 HA GLU 38 11.408 -15.041 -14.999 312 HB2 GLU 38 HB2 GLU 38 12.172 -12.226 -14.128 313 HB3 GLU 38 HB3 GLU 38 12.074 -13.597 -13.033 314 HG2 GLU 38 HG2 GLU 38 13.816 -14.757 -14.359 315 HG3 GLU 38 HG3 GLU 38 13.935 -13.344 -15.406 316 HA PRO 39 HA PRO 39 7.270 -14.281 -13.859 317 HB2 PRO 39 HB2 PRO 39 7.053 -16.035 -11.756 318 HB3 PRO 39 HB3 PRO 39 7.155 -16.582 -13.434 319 HG2 PRO 39 HG2 PRO 39 9.376 -16.360 -11.357 320 HG3 PRO 39 HG3 PRO 39 9.007 -17.718 -12.423 321 HD2 PRO 39 HD2 PRO 39 10.954 -15.919 -13.049 322 HD3 PRO 39 HD3 PRO 39 9.919 -16.670 -14.328 323 H GLY 40 H GLY 40 6.418 -12.649 -12.707 324 HA2 GLY 40 HA2 GLY 40 5.981 -11.407 -10.701 325 HA3 GLY 40 HA3 GLY 40 7.461 -12.028 -9.994 326 H ALA 41 H ALA 41 9.315 -11.488 -12.022 327 HA ALA 41 HA ALA 41 9.752 -8.676 -11.974 328 HB1 ALA 41 HB1 ALA 41 11.394 -9.112 -13.772 329 HB2 ALA 41 HB2 ALA 41 11.542 -10.287 -12.444 330 HB3 ALA 41 HB3 ALA 41 10.739 -10.755 -13.960 331 H GLU 42 H GLU 42 8.166 -10.775 -14.374 332 HA GLU 42 HA GLU 42 7.426 -8.817 -16.251 333 HB2 GLU 42 HB2 GLU 42 5.927 -11.255 -15.227 334 HB3 GLU 42 HB3 GLU 42 5.348 -10.271 -16.563 335 HG2 GLU 42 HG2 GLU 42 7.344 -10.784 -17.857 336 HG3 GLU 42 HG3 GLU 42 8.022 -11.686 -16.503 337 H GLU 43 H GLU 43 6.044 -9.556 -13.076 338 HA GLU 43 HA GLU 43 3.873 -7.639 -13.382 339 HB2 GLU 43 HB2 GLU 43 4.993 -9.041 -10.920 340 HB3 GLU 43 HB3 GLU 43 3.541 -8.049 -10.932 341 HG2 GLU 43 HG2 GLU 43 3.947 -10.600 -12.508 342 HG3 GLU 43 HG3 GLU 43 3.042 -10.445 -11.004 343 H LYS 44 H LYS 44 7.063 -7.677 -11.807 344 HA LYS 44 HA LYS 44 7.029 -5.059 -10.745 345 HB2 LYS 44 HB2 LYS 44 9.280 -6.705 -11.952 346 HB3 LYS 44 HB3 LYS 44 9.546 -5.137 -11.201 347 HG2 LYS 44 HG2 LYS 44 8.660 -5.995 -9.069 348 HG3 LYS 44 HG3 LYS 44 8.370 -7.570 -9.822 349 HD2 LYS 44 HD2 LYS 44 10.794 -7.770 -10.318 350 HD3 LYS 44 HD3 LYS 44 11.075 -6.208 -9.538 351 HE2 LYS 44 HE2 LYS 44 10.206 -7.108 -7.409 352 HE3 LYS 44 HE3 LYS 44 9.905 -8.666 -8.183 353 HZ1 LYS 44 HZ1 LYS 44 11.970 -8.658 -6.990 354 HZ2 LYS 44 HZ2 LYS 44 12.261 -8.847 -8.602 355 HZ3 LYS 44 HZ3 LYS 44 12.542 -7.393 -7.878 356 H PHE 45 H PHE 45 7.718 -6.186 -14.047 357 HA PHE 45 HA PHE 45 8.306 -3.618 -15.146 358 HB2 PHE 45 HB2 PHE 45 8.708 -5.836 -16.273 359 HB3 PHE 45 HB3 PHE 45 6.977 -5.979 -16.534 360 HD1 PHE 45 HD1 PHE 45 8.376 -2.639 -16.726 361 HD2 PHE 45 HD2 PHE 45 7.494 -6.177 -18.952 362 HE1 PHE 45 HE1 PHE 45 8.590 -1.364 -18.834 363 HE2 PHE 45 HE2 PHE 45 7.710 -4.906 -21.062 364 HZ PHE 45 HZ PHE 45 8.255 -2.498 -21.001 365 H LYS 46 H LYS 46 5.249 -5.371 -14.664 366 HA LYS 46 HA LYS 46 3.569 -3.377 -15.853 367 HB2 LYS 46 HB2 LYS 46 3.048 -5.467 -13.708 368 HB3 LYS 46 HB3 LYS 46 1.791 -4.422 -14.354 369 HG2 LYS 46 HG2 LYS 46 2.130 -5.345 -16.595 370 HG3 LYS 46 HG3 LYS 46 3.458 -6.350 -15.997 371 HD2 LYS 46 HD2 LYS 46 1.856 -7.449 -14.414 372 HD3 LYS 46 HD3 LYS 46 0.545 -6.506 -15.140 373 HE2 LYS 46 HE2 LYS 46 0.953 -7.541 -17.317 374 HE3 LYS 46 HE3 LYS 46 2.350 -8.410 -16.677 375 HZ1 LYS 46 HZ1 LYS 46 0.412 -9.797 -16.760 376 HZ2 LYS 46 HZ2 LYS 46 0.871 -9.577 -15.191 377 HZ3 LYS 46 HZ3 LYS 46 -0.435 -8.767 -15.790 378 H GLU 47 H GLU 47 4.768 -3.847 -12.536 379 HA GLU 47 HA GLU 47 3.480 -1.590 -11.379 380 HB2 GLU 47 HB2 GLU 47 6.131 -2.941 -10.744 381 HB3 GLU 47 HB3 GLU 47 5.447 -1.651 -9.764 382 HG2 GLU 47 HG2 GLU 47 3.498 -3.011 -9.257 383 HG3 GLU 47 HG3 GLU 47 4.071 -4.285 -10.332 384 H ILE 48 H ILE 48 6.395 -1.888 -13.346 385 HA ILE 48 HA ILE 48 7.086 0.928 -13.086 386 HB ILE 48 HB ILE 48 7.983 -1.278 -14.973 387 HG12 ILE 48 HG12 ILE 48 9.476 0.265 -12.841 388 HG13 ILE 48 HG13 ILE 48 8.743 -1.312 -12.599 389 HG21 ILE 48 HG21 ILE 48 9.644 0.317 -15.844 390 HG22 ILE 48 HG22 ILE 48 7.987 0.858 -16.205 391 HG23 ILE 48 HG23 ILE 48 8.903 1.619 -14.883 392 HD11 ILE 48 HD11 ILE 48 11.127 -1.511 -13.028 393 HD12 ILE 48 HD12 ILE 48 10.189 -2.268 -14.339 394 HD13 ILE 48 HD13 ILE 48 10.935 -0.670 -14.584 395 H ALA 49 H ALA 49 5.394 -1.081 -15.504 396 HA ALA 49 HA ALA 49 4.635 0.888 -17.325 397 HB1 ALA 49 HB1 ALA 49 2.584 -0.449 -17.680 398 HB2 ALA 49 HB2 ALA 49 4.030 -1.479 -17.565 399 HB3 ALA 49 HB3 ALA 49 2.919 -1.347 -16.183 400 H GLU 50 H GLU 50 3.186 0.173 -14.147 401 HA GLU 50 HA GLU 50 1.321 2.372 -14.258 402 HB2 GLU 50 HB2 GLU 50 2.424 0.602 -12.077 403 HB3 GLU 50 HB3 GLU 50 1.522 2.045 -11.641 404 HG2 GLU 50 HG2 GLU 50 0.437 -0.065 -13.510 405 HG3 GLU 50 HG3 GLU 50 0.224 -0.119 -11.761 406 H ALA 51 H ALA 51 4.630 1.983 -13.029 407 HA ALA 51 HA ALA 51 4.858 4.493 -11.748 408 HB1 ALA 51 HB1 ALA 51 7.297 4.208 -12.051 409 HB2 ALA 51 HB2 ALA 51 6.522 2.707 -11.493 410 HB3 ALA 51 HB3 ALA 51 6.991 2.885 -13.199 411 H TYR 52 H TYR 52 4.974 3.626 -15.139 412 HA TYR 52 HA TYR 52 6.007 6.323 -15.830 413 HB2 TYR 52 HB2 TYR 52 7.031 4.247 -16.852 414 HB3 TYR 52 HB3 TYR 52 5.498 3.945 -17.659 415 HD1 TYR 52 HD1 TYR 52 7.913 6.782 -17.190 416 HD2 TYR 52 HD2 TYR 52 5.305 4.637 -19.838 417 HE1 TYR 52 HE1 TYR 52 8.610 8.241 -19.059 418 HE2 TYR 52 HE2 TYR 52 6.002 6.096 -21.706 419 HH TYR 52 HH TYR 52 8.607 8.416 -21.357 420 H ASP 53 H ASP 53 3.314 4.129 -16.764 421 HA ASP 53 HA ASP 53 1.505 5.751 -17.953 422 HB2 ASP 53 HB2 ASP 53 1.049 3.470 -16.966 423 HB3 ASP 53 HB3 ASP 53 0.860 4.236 -15.393 424 H VAL 54 H VAL 54 2.296 5.952 -14.466 425 HA VAL 54 HA VAL 54 0.853 8.376 -13.994 426 HB VAL 54 HB VAL 54 3.288 7.137 -12.657 427 HG11 VAL 54 HG11 VAL 54 2.981 8.748 -10.841 428 HG12 VAL 54 HG12 VAL 54 3.424 9.544 -12.371 429 HG13 VAL 54 HG13 VAL 54 1.740 9.589 -11.799 430 HG21 VAL 54 HG21 VAL 54 1.650 6.655 -10.868 431 HG22 VAL 54 HG22 VAL 54 0.370 7.429 -11.834 432 HG23 VAL 54 HG23 VAL 54 1.145 5.935 -12.415 433 H LEU 55 H LEU 55 4.373 7.868 -14.555 434 HA LEU 55 HA LEU 55 4.836 10.720 -14.412 435 HB2 LEU 55 HB2 LEU 55 6.465 8.255 -14.781 436 HB3 LEU 55 HB3 LEU 55 7.148 9.743 -15.443 437 HG LEU 55 HG LEU 55 8.085 9.711 -13.334 438 HD11 LEU 55 HD11 LEU 55 6.919 11.382 -11.965 439 HD12 LEU 55 HD12 LEU 55 6.917 11.826 -13.688 440 HD13 LEU 55 HD13 LEU 55 5.449 11.154 -12.940 441 HD21 LEU 55 HD21 LEU 55 6.888 8.960 -11.306 442 HD22 LEU 55 HD22 LEU 55 5.416 8.698 -12.272 443 HD23 LEU 55 HD23 LEU 55 6.862 7.704 -12.567 444 H SER 56 H SER 56 3.679 8.744 -16.864 445 HA SER 56 HA SER 56 4.768 10.507 -18.998 446 HB2 SER 56 HB2 SER 56 3.931 8.864 -20.559 447 HB3 SER 56 HB3 SER 56 4.869 8.044 -19.320 448 HG SER 56 HG SER 56 2.927 7.575 -18.266 449 H ASP 57 H ASP 57 2.062 10.153 -16.985 450 HA ASP 57 HA ASP 57 0.374 11.719 -18.877 451 HB2 ASP 57 HB2 ASP 57 -0.234 9.263 -18.939 452 HB3 ASP 57 HB3 ASP 57 -0.641 9.368 -17.232 453 HA PRO 58 HA PRO 58 0.448 14.219 -15.297 454 HB2 PRO 58 HB2 PRO 58 -1.763 15.617 -16.856 455 HB3 PRO 58 HB3 PRO 58 -0.359 16.324 -16.048 456 HG2 PRO 58 HG2 PRO 58 -0.278 16.035 -18.692 457 HG3 PRO 58 HG3 PRO 58 1.153 15.614 -17.746 458 HD2 PRO 58 HD2 PRO 58 -0.968 13.788 -18.936 459 HD3 PRO 58 HD3 PRO 58 0.826 13.564 -18.872 460 H ARG 59 H ARG 59 -2.164 12.362 -16.489 461 HA ARG 59 HA ARG 59 -4.244 13.426 -14.758 462 HB2 ARG 59 HB2 ARG 59 -4.076 10.978 -16.539 463 HB3 ARG 59 HB3 ARG 59 -5.493 11.353 -15.570 464 HG2 ARG 59 HG2 ARG 59 -5.705 13.520 -16.765 465 HG3 ARG 59 HG3 ARG 59 -4.328 13.051 -17.789 466 HD2 ARG 59 HD2 ARG 59 -6.859 11.453 -17.502 467 HD3 ARG 59 HD3 ARG 59 -6.544 12.633 -18.795 468 HE ARG 59 HE ARG 59 -4.380 10.882 -18.793 469 HH11 ARG 59 HH11 ARG 59 -7.856 10.688 -19.265 470 HH12 ARG 59 HH12 ARG 59 -7.758 9.325 -20.357 471 HH21 ARG 59 HH21 ARG 59 -4.266 9.114 -20.213 472 HH22 ARG 59 HH22 ARG 59 -5.727 8.433 -20.895 473 H LYS 60 H LYS 60 -1.941 10.762 -14.648 474 HA LYS 60 HA LYS 60 -2.943 10.159 -11.897 475 HB2 LYS 60 HB2 LYS 60 -1.258 8.446 -13.768 476 HB3 LYS 60 HB3 LYS 60 -1.687 8.012 -12.119 477 HG2 LYS 60 HG2 LYS 60 -4.061 7.959 -12.715 478 HG3 LYS 60 HG3 LYS 60 -3.672 8.473 -14.363 479 HD2 LYS 60 HD2 LYS 60 -2.244 6.415 -14.603 480 HD3 LYS 60 HD3 LYS 60 -2.816 5.888 -13.013 481 HE2 LYS 60 HE2 LYS 60 -5.133 5.871 -13.822 482 HE3 LYS 60 HE3 LYS 60 -4.612 6.478 -15.395 483 HZ1 LYS 60 HZ1 LYS 60 -4.926 4.114 -15.423 484 HZ2 LYS 60 HZ2 LYS 60 -3.336 4.467 -15.685 485 HZ3 LYS 60 HZ3 LYS 60 -3.825 3.898 -14.215 486 H ARG 61 H ARG 61 -0.546 11.759 -13.622 487 HA ARG 61 HA ARG 61 1.721 11.431 -11.949 488 HB2 ARG 61 HB2 ARG 61 1.702 12.678 -14.105 489 HB3 ARG 61 HB3 ARG 61 0.772 13.959 -13.341 490 HG2 ARG 61 HG2 ARG 61 2.628 14.433 -11.818 491 HG3 ARG 61 HG3 ARG 61 3.568 13.107 -12.544 492 HD2 ARG 61 HD2 ARG 61 2.490 15.425 -14.119 493 HD3 ARG 61 HD3 ARG 61 4.098 15.410 -13.359 494 HE ARG 61 HE ARG 61 4.162 13.127 -14.779 495 HH11 ARG 61 HH11 ARG 61 3.151 16.375 -15.656 496 HH12 ARG 61 HH12 ARG 61 3.610 16.200 -17.334 497 HH21 ARG 61 HH21 ARG 61 4.753 12.912 -16.960 498 HH22 ARG 61 HH22 ARG 61 4.516 14.240 -18.074 499 H GLU 62 H GLU 62 -0.792 13.992 -11.809 500 HA GLU 62 HA GLU 62 -0.074 15.081 -9.319 501 HB2 GLU 62 HB2 GLU 62 -1.783 16.039 -10.860 502 HB3 GLU 62 HB3 GLU 62 -2.880 14.727 -10.450 503 HG2 GLU 62 HG2 GLU 62 -2.953 15.477 -8.127 504 HG3 GLU 62 HG3 GLU 62 -1.795 16.756 -8.484 505 H ILE 63 H ILE 63 -2.000 12.198 -10.060 506 HA ILE 63 HA ILE 63 -3.189 11.988 -7.464 507 HB ILE 63 HB ILE 63 -2.786 9.950 -9.687 508 HG12 ILE 63 HG12 ILE 63 -5.265 11.413 -8.753 509 HG13 ILE 63 HG13 ILE 63 -4.276 11.900 -10.121 510 HG21 ILE 63 HG21 ILE 63 -4.402 8.541 -8.477 511 HG22 ILE 63 HG22 ILE 63 -2.925 8.788 -7.518 512 HG23 ILE 63 HG23 ILE 63 -4.403 9.698 -7.125 513 HD11 ILE 63 HD11 ILE 63 -6.232 10.655 -10.852 514 HD12 ILE 63 HD12 ILE 63 -4.741 9.760 -11.236 515 HD13 ILE 63 HD13 ILE 63 -5.745 9.268 -9.851 516 H PHE 64 H PHE 64 -0.935 9.606 -8.882 517 HA PHE 64 HA PHE 64 -0.077 8.355 -6.594 518 HB2 PHE 64 HB2 PHE 64 0.757 7.587 -8.695 519 HB3 PHE 64 HB3 PHE 64 1.481 9.142 -9.073 520 HD1 PHE 64 HD1 PHE 64 1.660 6.727 -6.209 521 HD2 PHE 64 HD2 PHE 64 3.769 9.128 -9.044 522 HE1 PHE 64 HE1 PHE 64 3.808 5.955 -5.261 523 HE2 PHE 64 HE2 PHE 64 5.919 8.355 -8.102 524 HZ PHE 64 HZ PHE 64 5.939 6.770 -6.208 525 H ASP 65 H ASP 65 1.321 11.379 -7.917 526 HA ASP 65 HA ASP 65 3.405 11.442 -5.926 527 HB2 ASP 65 HB2 ASP 65 3.517 12.496 -8.227 528 HB3 ASP 65 HB3 ASP 65 2.407 13.736 -7.659 529 H ARG 66 H ARG 66 0.356 13.263 -6.345 530 HA ARG 66 HA ARG 66 1.002 14.890 -3.983 531 HB2 ARG 66 HB2 ARG 66 -0.021 15.865 -6.054 532 HB3 ARG 66 HB3 ARG 66 -1.476 14.930 -5.740 533 HG2 ARG 66 HG2 ARG 66 -1.865 16.140 -3.671 534 HG3 ARG 66 HG3 ARG 66 -0.334 17.026 -3.874 535 HD2 ARG 66 HD2 ARG 66 -1.168 18.004 -5.929 536 HD3 ARG 66 HD3 ARG 66 -2.695 17.111 -5.738 537 HE ARG 66 HE ARG 66 -2.070 18.702 -3.424 538 HH11 ARG 66 HH11 ARG 66 -3.391 18.828 -6.676 539 HH12 ARG 66 HH12 ARG 66 -4.372 20.243 -6.357 540 HH21 ARG 66 HH21 ARG 66 -3.346 20.536 -3.022 541 HH22 ARG 66 HH22 ARG 66 -4.346 21.210 -4.290 542 H TYR 67 H TYR 67 -1.040 12.176 -4.846 543 HA TYR 67 HA TYR 67 -2.490 12.477 -2.250 544 HB2 TYR 67 HB2 TYR 67 -3.552 11.489 -4.927 545 HB3 TYR 67 HB3 TYR 67 -4.439 11.399 -3.413 546 HD1 TYR 67 HD1 TYR 67 -3.796 13.340 -6.293 547 HD2 TYR 67 HD2 TYR 67 -4.744 13.661 -2.121 548 HE1 TYR 67 HE1 TYR 67 -4.669 15.622 -6.668 549 HE2 TYR 67 HE2 TYR 67 -5.618 15.944 -2.495 550 HH TYR 67 HH TYR 67 -5.677 17.380 -5.746 551 H GLY 68 H GLY 68 -0.171 10.741 -3.661 552 HA2 GLY 68 HA2 GLY 68 0.800 8.772 -2.806 553 HA3 GLY 68 HA3 GLY 68 -0.655 8.460 -1.877 554 H GLU 69 H GLU 69 0.501 6.360 -3.119 555 HA GLU 69 HA GLU 69 -0.769 5.909 -5.725 556 HB2 GLU 69 HB2 GLU 69 0.361 3.783 -5.709 557 HB3 GLU 69 HB3 GLU 69 1.497 4.990 -5.124 558 HG2 GLU 69 HG2 GLU 69 -0.132 3.362 -3.191 559 HG3 GLU 69 HG3 GLU 69 1.323 2.700 -3.931 560 H GLU 70 H GLU 70 -1.497 5.388 -2.383 561 HA GLU 70 HA GLU 70 -3.371 3.256 -2.639 562 HB2 GLU 70 HB2 GLU 70 -3.210 5.577 -0.680 563 HB3 GLU 70 HB3 GLU 70 -4.377 4.271 -0.532 564 HG2 GLU 70 HG2 GLU 70 -2.566 2.643 -0.315 565 HG3 GLU 70 HG3 GLU 70 -1.371 3.920 -0.533 566 H GLY 71 H GLY 71 -3.561 6.657 -3.412 567 HA2 GLY 71 HA2 GLY 71 -6.486 6.693 -3.580 568 HA3 GLY 71 HA3 GLY 71 -5.394 7.989 -4.033 569 H LEU 72 H LEU 72 -3.959 5.545 -5.530 570 HA LEU 72 HA LEU 72 -5.465 5.990 -8.049 571 HB2 LEU 72 HB2 LEU 72 -3.053 6.448 -8.076 572 HB3 LEU 72 HB3 LEU 72 -2.715 4.803 -7.528 573 HG LEU 72 HG LEU 72 -3.555 3.893 -9.640 574 HD11 LEU 72 HD11 LEU 72 -4.222 5.394 -11.463 575 HD12 LEU 72 HD12 LEU 72 -5.303 5.545 -10.058 576 HD13 LEU 72 HD13 LEU 72 -4.069 6.789 -10.371 577 HD21 LEU 72 HD21 LEU 72 -1.803 4.823 -11.115 578 HD22 LEU 72 HD22 LEU 72 -1.615 6.211 -10.017 579 HD23 LEU 72 HD23 LEU 72 -1.185 4.575 -9.465 580 H LYS 73 H LYS 73 -4.479 3.470 -5.796 581 HA LYS 73 HA LYS 73 -5.696 1.372 -7.467 582 HB2 LYS 73 HB2 LYS 73 -3.678 0.857 -6.136 583 HB3 LYS 73 HB3 LYS 73 -4.530 1.275 -4.656 584 HG2 LYS 73 HG2 LYS 73 -6.063 -0.597 -4.958 585 HG3 LYS 73 HG3 LYS 73 -5.317 -0.987 -6.514 586 HD2 LYS 73 HD2 LYS 73 -3.169 -1.433 -5.388 587 HD3 LYS 73 HD3 LYS 73 -3.889 -1.008 -3.829 588 HE2 LYS 73 HE2 LYS 73 -5.519 -2.865 -4.093 589 HE3 LYS 73 HE3 LYS 73 -4.760 -3.301 -5.627 590 HZ1 LYS 73 HZ1 LYS 73 -3.951 -4.643 -3.829 591 HZ2 LYS 73 HZ2 LYS 73 -2.722 -3.722 -4.432 592 HZ3 LYS 73 HZ3 LYS 73 -3.431 -3.315 -2.999 593 H GLY 74 H GLY 74 -6.510 3.393 -4.716 594 HA2 GLY 74 HA2 GLY 74 -8.649 3.645 -3.724 595 HA3 GLY 74 HA3 GLY 74 -9.227 2.246 -4.609 596 H SER 75 H SER 75 -6.310 2.524 -2.571 597 HA SER 75 HA SER 75 -7.433 0.324 -0.885 598 HB2 SER 75 HB2 SER 75 -5.128 -0.468 -0.604 599 HB3 SER 75 HB3 SER 75 -5.592 -0.448 -2.299 600 HG SER 75 HG SER 75 -4.356 1.763 -1.127 601 H GLY 76 H GLY 76 -7.296 3.415 -0.667 602 HA2 GLY 76 HA2 GLY 76 -5.502 3.699 1.690 603 HA3 GLY 76 HA3 GLY 76 -6.151 5.011 0.724 604 HA PRO 77 HA PRO 77 -8.636 5.720 4.242 605 HB2 PRO 77 HB2 PRO 77 -10.328 7.145 2.138 606 HB3 PRO 77 HB3 PRO 77 -9.867 7.708 3.750 607 HG2 PRO 77 HG2 PRO 77 -8.508 8.641 1.666 608 HG3 PRO 77 HG3 PRO 77 -7.613 8.145 3.106 609 HD2 PRO 77 HD2 PRO 77 -8.001 6.667 0.482 610 HD3 PRO 77 HD3 PRO 77 -6.529 6.774 1.529 611 H SER 78 H SER 78 -10.222 4.883 1.137 612 HA SER 78 HA SER 78 -12.195 3.254 2.679 613 HB2 SER 78 HB2 SER 78 -13.619 3.383 0.685 614 HB3 SER 78 HB3 SER 78 -13.222 4.985 1.286 615 HG SER 78 HG SER 78 -12.086 5.374 -0.401 616 H GLY 79 H GLY 79 -9.584 2.291 2.296 617 HA2 GLY 79 HA2 GLY 79 -8.887 0.714 0.199 618 HA3 GLY 79 HA3 GLY 79 -8.761 0.141 1.852 619 H GLY 80 H GLY 80 -9.990 -0.568 -1.130 620 HA2 GLY 80 HA2 GLY 80 -11.067 -2.852 -1.191 621 HA3 GLY 80 HA3 GLY 80 -12.185 -2.256 0.022 622 H SER 81 H SER 81 -12.291 0.449 -1.227 623 HA SER 81 HA SER 81 -14.532 -0.022 -2.961 624 HB2 SER 81 HB2 SER 81 -14.602 2.372 -3.214 625 HB3 SER 81 HB3 SER 81 -14.223 2.003 -1.539 626 HG SER 81 HG SER 81 -12.621 3.236 -1.848 627 H GLY 82 H GLY 82 -11.105 0.444 -3.501 628 HA2 GLY 82 HA2 GLY 82 -9.908 0.683 -5.518 629 HA3 GLY 82 HA3 GLY 82 -10.780 -0.799 -5.862 630 H GLY 83 H GLY 83 -11.225 2.757 -5.941 631 HA2 GLY 83 HA2 GLY 83 -12.208 4.128 -7.537 632 HA3 GLY 83 HA3 GLY 83 -12.028 2.821 -8.691 633 H GLY 84 H GLY 84 -13.802 1.740 -9.353 634 HA2 GLY 84 HA2 GLY 84 -16.380 2.357 -7.973 635 HA3 GLY 84 HA3 GLY 84 -16.219 1.905 -9.659 636 H ALA 85 H ALA 85 -14.113 0.105 -7.706 637 HA ALA 85 HA ALA 85 -15.439 -2.353 -8.321 638 HB1 ALA 85 HB1 ALA 85 -13.719 -3.388 -6.875 639 HB2 ALA 85 HB2 ALA 85 -13.009 -2.213 -8.007 640 HB3 ALA 85 HB3 ALA 85 -13.244 -1.774 -6.300 641 H ASN 86 H ASN 86 -15.443 -0.265 -5.480 642 HA ASN 86 HA ASN 86 -16.972 -0.144 -3.762 643 HB2 ASN 86 HB2 ASN 86 -18.453 -2.160 -5.478 644 HB3 ASN 86 HB3 ASN 86 -19.098 -1.502 -3.981 645 HD21 ASN 86 HD21 ASN 86 -20.213 0.436 -7.019 646 HD22 ASN 86 HD22 ASN 86 -20.144 -1.259 -6.667 647 H GLY 87 H GLY 87 -17.613 -3.562 -4.427 648 HA2 GLY 87 HA2 GLY 87 -16.289 -4.196 -1.811 649 HA3 GLY 87 HA3 GLY 87 -17.841 -4.872 -2.269 650 H THR 88 H THR 88 -15.775 -4.476 -4.946 651 HA THR 88 HA THR 88 -15.207 -7.405 -4.912 652 HB THR 88 HB THR 88 -15.151 -7.296 -7.358 653 HG1 THR 88 HG1 THR 88 -15.908 -4.562 -7.195 654 HG21 THR 88 HG21 THR 88 -17.498 -6.687 -7.790 655 HG22 THR 88 HG22 THR 88 -17.349 -7.600 -6.271 656 HG23 THR 88 HG23 THR 88 -17.570 -5.836 -6.230 657 H SER 89 H SER 89 -13.287 -7.952 -6.431 658 HA SER 89 HA SER 89 -10.962 -6.750 -5.173 659 HB2 SER 89 HB2 SER 89 -10.992 -9.127 -5.671 660 HB3 SER 89 HB3 SER 89 -11.260 -8.812 -7.379 661 HG SER 89 HG SER 89 -9.278 -7.905 -7.527 662 H PHE 90 H PHE 90 -9.246 -5.659 -6.153 663 HA PHE 90 HA PHE 90 -9.485 -4.665 -8.878 664 HB2 PHE 90 HB2 PHE 90 -11.171 -3.262 -7.651 665 HB3 PHE 90 HB3 PHE 90 -9.887 -2.689 -6.598 666 HD1 PHE 90 HD1 PHE 90 -11.217 -2.630 -10.030 667 HD2 PHE 90 HD2 PHE 90 -8.288 -1.064 -7.343 668 HE1 PHE 90 HE1 PHE 90 -10.697 -0.833 -11.646 669 HE2 PHE 90 HE2 PHE 90 -7.769 0.737 -8.955 670 HZ PHE 90 HZ PHE 90 -8.973 0.851 -11.109 671 H SER 91 H SER 91 -7.504 -4.448 -9.616 672 HA SER 91 HA SER 91 -5.349 -3.753 -7.664 673 HB2 SER 91 HB2 SER 91 -3.808 -4.928 -9.066 674 HB3 SER 91 HB3 SER 91 -5.191 -5.982 -8.813 675 HG SER 91 HG SER 91 -4.724 -4.317 -11.035 676 H TYR 92 H TYR 92 -3.405 -2.696 -8.833 677 HA TYR 92 HA TYR 92 -4.083 -0.229 -10.020 678 HB2 TYR 92 HB2 TYR 92 -1.556 -1.910 -10.187 679 HB3 TYR 92 HB3 TYR 92 -1.678 -0.308 -10.903 680 HD1 TYR 92 HD1 TYR 92 -1.018 -2.179 -7.930 681 HD2 TYR 92 HD2 TYR 92 -2.306 1.652 -9.371 682 HE1 TYR 92 HE1 TYR 92 -0.419 -1.160 -5.759 683 HE2 TYR 92 HE2 TYR 92 -1.706 2.671 -7.200 684 HH TYR 92 HH TYR 92 -1.296 2.111 -4.956 685 H THR 93 H THR 93 -3.850 0.566 -12.156 686 HA THR 93 HA THR 93 -5.117 -1.207 -14.078 687 HB THR 93 HB THR 93 -4.073 1.643 -14.350 688 HG1 THR 93 HG1 THR 93 -6.541 0.453 -13.671 689 HG21 THR 93 HG21 THR 93 -5.405 1.716 -16.420 690 HG22 THR 93 HG22 THR 93 -4.124 0.486 -16.532 691 HG23 THR 93 HG23 THR 93 -5.806 -0.006 -16.229 692 H PHE 94 H PHE 94 -3.209 -2.752 -13.846 693 HA PHE 94 HA PHE 94 -0.749 -2.081 -15.196 694 HB2 PHE 94 HB2 PHE 94 -2.011 -4.757 -14.485 695 HB3 PHE 94 HB3 PHE 94 -0.408 -4.589 -15.183 696 HD1 PHE 94 HD1 PHE 94 -1.613 -5.577 -12.350 697 HD2 PHE 94 HD2 PHE 94 0.589 -2.189 -13.737 698 HE1 PHE 94 HE1 PHE 94 -0.663 -5.271 -10.088 699 HE2 PHE 94 HE2 PHE 94 1.544 -1.882 -11.478 700 HZ PHE 94 HZ PHE 94 0.916 -3.422 -9.653 701 H HIS 95 H HIS 95 -3.888 -3.139 -16.250 702 HA HIS 95 HA HIS 95 -3.261 -4.148 -18.830 703 HB2 HIS 95 HB2 HIS 95 -5.528 -4.220 -17.874 704 HB3 HIS 95 HB3 HIS 95 -5.634 -2.467 -17.948 705 HD2 HIS 95 HD2 HIS 95 -6.672 -1.482 -20.422 706 HE1 HIS 95 HE1 HIS 95 -6.270 -5.166 -22.500 707 H GLY 96 H GLY 96 -4.215 -0.780 -18.011 708 HA2 GLY 96 HA2 GLY 96 -3.224 0.488 -20.323 709 HA3 GLY 96 HA3 GLY 96 -3.297 1.223 -18.733 710 H ASP 97 H ASP 97 -1.299 -0.488 -21.046 711 HA ASP 97 HA ASP 97 1.057 -0.146 -19.236 712 HB2 ASP 97 HB2 ASP 97 0.439 -2.529 -19.526 713 HB3 ASP 97 HB3 ASP 97 0.550 -2.354 -21.272 714 HA PRO 98 HA PRO 98 2.300 2.320 -22.724 715 HB2 PRO 98 HB2 PRO 98 4.300 3.683 -21.468 716 HB3 PRO 98 HB3 PRO 98 2.599 4.059 -21.167 717 HG2 PRO 98 HG2 PRO 98 4.485 2.308 -19.532 718 HG3 PRO 98 HG3 PRO 98 3.425 3.599 -18.961 719 HD2 PRO 98 HD2 PRO 98 2.680 0.970 -18.844 720 HD3 PRO 98 HD3 PRO 98 1.479 2.290 -19.140 721 H HIS 99 H HIS 99 3.052 -0.434 -22.528 722 HA HIS 99 HA HIS 99 5.899 -0.371 -23.347 723 HB2 HIS 99 HB2 HIS 99 4.907 -2.365 -22.172 724 HB3 HIS 99 HB3 HIS 99 3.878 -2.629 -23.572 725 HD2 HIS 99 HD2 HIS 99 5.001 -4.243 -25.461 726 HE1 HIS 99 HE1 HIS 99 9.051 -3.891 -24.178 727 H ALA 100 H ALA 100 2.734 0.000 -24.713 728 HA ALA 100 HA ALA 100 3.714 -0.225 -27.459 729 HB1 ALA 100 HB1 ALA 100 1.503 0.705 -28.064 730 HB2 ALA 100 HB2 ALA 100 1.356 -0.678 -26.953 731 HB3 ALA 100 HB3 ALA 100 1.157 0.980 -26.341 732 H MET 101 H MET 101 2.908 2.425 -25.201 733 HA MET 101 HA MET 101 3.894 4.552 -26.803 734 HB2 MET 101 HB2 MET 101 3.884 4.142 -23.793 735 HB3 MET 101 HB3 MET 101 4.377 5.645 -24.558 736 HG2 MET 101 HG2 MET 101 2.185 6.034 -25.422 737 HG3 MET 101 HG3 MET 101 1.656 4.400 -25.012 738 HE1 MET 101 HE1 MET 101 2.565 7.701 -21.896 739 HE2 MET 101 HE2 MET 101 3.837 6.903 -22.854 740 HE3 MET 101 HE3 MET 101 2.639 7.945 -23.658 741 H PHE 102 H PHE 102 5.593 2.414 -24.503 742 HA PHE 102 HA PHE 102 8.193 3.459 -24.884 743 HB2 PHE 102 HB2 PHE 102 7.693 1.822 -23.137 744 HB3 PHE 102 HB3 PHE 102 7.288 0.605 -24.337 745 HD1 PHE 102 HD1 PHE 102 10.152 2.929 -23.655 746 HD2 PHE 102 HD2 PHE 102 8.866 -1.021 -24.653 747 HE1 PHE 102 HE1 PHE 102 12.505 2.170 -23.677 748 HE2 PHE 102 HE2 PHE 102 11.217 -1.784 -24.673 749 HZ PHE 102 HZ PHE 102 13.038 -0.186 -24.187 750 H ALA 103 H ALA 103 6.561 0.779 -26.610 751 HA ALA 103 HA ALA 103 8.603 0.241 -28.467 752 HB1 ALA 103 HB1 ALA 103 6.811 -0.674 -29.905 753 HB2 ALA 103 HB2 ALA 103 6.617 -1.176 -28.209 754 HB3 ALA 103 HB3 ALA 103 5.594 0.117 -28.876 755 H GLU 104 H GLU 104 6.168 2.792 -28.447 756 HA GLU 104 HA GLU 104 6.803 3.727 -31.119 757 HB2 GLU 104 HB2 GLU 104 4.614 4.176 -30.063 758 HB3 GLU 104 HB3 GLU 104 5.397 5.116 -28.801 759 HG2 GLU 104 HG2 GLU 104 4.427 6.611 -30.393 760 HG3 GLU 104 HG3 GLU 104 6.182 6.727 -30.507 761 H PHE 105 H PHE 105 7.774 4.637 -27.820 762 HA PHE 105 HA PHE 105 9.175 7.015 -28.666 763 HB2 PHE 105 HB2 PHE 105 9.338 5.394 -26.095 764 HB3 PHE 105 HB3 PHE 105 10.124 6.946 -26.338 765 HD1 PHE 105 HD1 PHE 105 7.579 7.826 -28.136 766 HD2 PHE 105 HD2 PHE 105 8.189 6.408 -24.153 767 HE1 PHE 105 HE1 PHE 105 5.520 8.986 -27.409 768 HE2 PHE 105 HE2 PHE 105 6.130 7.565 -23.422 769 HZ PHE 105 HZ PHE 105 4.795 8.855 -25.052 770 H PHE 106 H PHE 106 10.310 3.789 -27.570 771 HA PHE 106 HA PHE 106 13.016 4.572 -28.575 772 HB2 PHE 106 HB2 PHE 106 12.317 2.858 -26.157 773 HB3 PHE 106 HB3 PHE 106 13.944 3.173 -26.740 774 HD1 PHE 106 HD1 PHE 106 11.363 4.253 -24.572 775 HD2 PHE 106 HD2 PHE 106 14.656 5.672 -26.893 776 HE1 PHE 106 HE1 PHE 106 11.465 6.292 -23.178 777 HE2 PHE 106 HE2 PHE 106 14.763 7.711 -25.500 778 HZ PHE 106 HZ PHE 106 13.165 8.021 -23.642 779 H GLY 107 H GLY 107 10.574 2.063 -28.281 780 HA2 GLY 107 HA2 GLY 107 10.194 0.274 -29.728 781 HA3 GLY 107 HA3 GLY 107 11.569 0.786 -30.688 782 H GLY 108 H GLY 108 11.862 0.237 -27.233 783 HA2 GLY 108 HA2 GLY 108 12.899 -1.439 -25.999 784 HA3 GLY 108 HA3 GLY 108 12.619 -2.538 -27.338 785 H ARG 109 H ARG 109 14.376 0.521 -27.615 786 HA ARG 109 HA ARG 109 16.962 -0.949 -27.550 787 HB2 ARG 109 HB2 ARG 109 16.089 0.974 -29.732 788 HB3 ARG 109 HB3 ARG 109 17.731 0.384 -29.522 789 HG2 ARG 109 HG2 ARG 109 15.354 -1.424 -30.015 790 HG3 ARG 109 HG3 ARG 109 16.413 -0.778 -31.293 791 HD2 ARG 109 HD2 ARG 109 18.331 -1.826 -30.167 792 HD3 ARG 109 HD3 ARG 109 17.207 -2.549 -28.993 793 HE ARG 109 HE ARG 109 17.594 -3.307 -31.791 794 HH11 ARG 109 HH11 ARG 109 15.630 -3.591 -28.891 795 HH12 ARG 109 HH12 ARG 109 14.876 -5.087 -29.398 796 HH21 ARG 109 HH21 ARG 109 16.608 -5.249 -32.436 797 HH22 ARG 109 HH22 ARG 109 15.429 -6.025 -31.404 798 H ASN 110 H ASN 110 18.831 0.451 -27.278 799 HA ASN 110 HA ASN 110 18.117 2.637 -25.415 800 HB2 ASN 110 HB2 ASN 110 19.704 0.842 -24.716 801 HB3 ASN 110 HB3 ASN 110 20.812 1.360 -25.980 802 HD21 ASN 110 HD21 ASN 110 22.147 3.038 -23.114 803 HD22 ASN 110 HD22 ASN 110 22.122 1.496 -23.901 Start of MODEL 6 1 H1 MET 1 1H MET 1 7.877 8.543 0.432 2 H2 MET 1 2H MET 1 8.850 7.570 -0.447 3 H3 MET 1 3H MET 1 7.229 7.440 -0.582 4 HA MET 1 HA MET 1 8.818 6.839 1.781 5 HB2 MET 1 HB2 MET 1 5.828 6.567 1.286 6 HB3 MET 1 HB3 MET 1 6.674 6.004 2.719 7 HG2 MET 1 HG2 MET 1 6.431 8.890 1.822 8 HG3 MET 1 HG3 MET 1 5.524 8.120 3.126 9 HE1 MET 1 HE1 MET 1 8.227 7.464 5.838 10 HE2 MET 1 HE2 MET 1 6.490 7.470 5.449 11 HE3 MET 1 HE3 MET 1 7.583 6.326 4.630 12 H GLY 2 H GLY 2 9.400 4.776 2.089 13 HA2 GLY 2 HA2 GLY 2 9.813 2.551 1.580 14 HA3 GLY 2 HA3 GLY 2 8.246 2.510 0.792 15 H LYS 3 H LYS 3 8.474 1.716 -1.201 16 HA LYS 3 HA LYS 3 10.547 2.963 -2.945 17 HB2 LYS 3 HB2 LYS 3 9.810 0.011 -2.821 18 HB3 LYS 3 HB3 LYS 3 10.802 0.736 -4.079 19 HG2 LYS 3 HG2 LYS 3 12.470 1.400 -2.371 20 HG3 LYS 3 HG3 LYS 3 11.478 0.628 -1.126 21 HD2 LYS 3 HD2 LYS 3 11.693 -1.542 -2.298 22 HD3 LYS 3 HD3 LYS 3 12.688 -0.769 -3.540 23 HE2 LYS 3 HE2 LYS 3 14.368 -0.168 -1.833 24 HE3 LYS 3 HE3 LYS 3 13.373 -0.917 -0.580 25 HZ1 LYS 3 HZ1 LYS 3 15.100 -2.382 -1.328 26 HZ2 LYS 3 HZ2 LYS 3 13.626 -3.016 -1.716 27 HZ3 LYS 3 HZ3 LYS 3 14.557 -2.317 -2.884 28 H ASP 4 H ASP 4 8.497 4.291 -3.250 29 HA ASP 4 HA ASP 4 6.369 3.099 -4.815 30 HB2 ASP 4 HB2 ASP 4 5.544 5.368 -5.069 31 HB3 ASP 4 HB3 ASP 4 6.058 5.132 -3.404 32 H TYR 5 H TYR 5 6.129 5.251 -6.761 33 HA TYR 5 HA TYR 5 7.240 3.640 -8.863 34 HB2 TYR 5 HB2 TYR 5 5.931 6.388 -8.981 35 HB3 TYR 5 HB3 TYR 5 6.268 5.368 -10.373 36 HD1 TYR 5 HD1 TYR 5 5.447 3.207 -7.754 37 HD2 TYR 5 HD2 TYR 5 3.671 6.002 -10.482 38 HE1 TYR 5 HE1 TYR 5 3.258 2.096 -7.469 39 HE2 TYR 5 HE2 TYR 5 1.483 4.890 -10.197 40 HH TYR 5 HH TYR 5 1.136 2.011 -8.144 41 H TYR 6 H TYR 6 8.362 6.458 -7.176 42 HA TYR 6 HA TYR 6 10.247 7.257 -9.252 43 HB2 TYR 6 HB2 TYR 6 9.911 8.057 -6.337 44 HB3 TYR 6 HB3 TYR 6 11.169 8.715 -7.374 45 HD1 TYR 6 HD1 TYR 6 8.566 9.912 -5.906 46 HD2 TYR 6 HD2 TYR 6 9.650 8.964 -9.947 47 HE1 TYR 6 HE1 TYR 6 6.989 11.626 -6.732 48 HE2 TYR 6 HE2 TYR 6 8.074 10.679 -10.774 49 HH TYR 6 HH TYR 6 5.717 12.101 -8.824 50 H GLN 7 H GLN 7 10.350 5.324 -6.291 51 HA GLN 7 HA GLN 7 13.218 4.784 -6.657 52 HB2 GLN 7 HB2 GLN 7 11.187 3.607 -4.717 53 HB3 GLN 7 HB3 GLN 7 12.912 3.271 -4.697 54 HG2 GLN 7 HG2 GLN 7 11.639 5.982 -4.272 55 HG3 GLN 7 HG3 GLN 7 12.301 4.908 -3.007 56 HE21 GLN 7 HE21 GLN 7 14.667 7.609 -4.646 57 HE22 GLN 7 HE22 GLN 7 12.936 7.660 -4.578 58 H THR 8 H THR 8 10.186 3.464 -7.657 59 HA THR 8 HA THR 8 11.307 0.881 -8.435 60 HB THR 8 HB THR 8 8.729 2.256 -9.310 61 HG1 THR 8 HG1 THR 8 8.818 1.772 -7.062 62 HG21 THR 8 HG21 THR 8 8.043 -0.008 -9.996 63 HG22 THR 8 HG22 THR 8 9.489 0.517 -10.891 64 HG23 THR 8 HG23 THR 8 9.646 -0.635 -9.545 65 H LEU 9 H LEU 9 10.748 4.029 -9.941 66 HA LEU 9 HA LEU 9 11.612 3.125 -12.571 67 HB2 LEU 9 HB2 LEU 9 10.071 5.041 -12.251 68 HB3 LEU 9 HB3 LEU 9 11.355 5.931 -11.427 69 HG LEU 9 HG LEU 9 12.684 5.918 -13.529 70 HD11 LEU 9 HD11 LEU 9 11.599 5.214 -15.615 71 HD12 LEU 9 HD12 LEU 9 11.792 3.854 -14.484 72 HD13 LEU 9 HD13 LEU 9 10.201 4.623 -14.688 73 HD21 LEU 9 HD21 LEU 9 11.244 7.533 -14.723 74 HD22 LEU 9 HD22 LEU 9 9.839 6.976 -13.783 75 HD23 LEU 9 HD23 LEU 9 11.186 7.802 -12.964 76 H GLY 10 H GLY 10 13.067 5.023 -9.918 77 HA2 GLY 10 HA2 GLY 10 15.378 4.476 -9.284 78 HA3 GLY 10 HA3 GLY 10 15.742 4.200 -10.977 79 H LEU 11 H LEU 11 13.882 6.886 -9.555 80 HA LEU 11 HA LEU 11 16.156 8.718 -10.121 81 HB2 LEU 11 HB2 LEU 11 13.276 9.120 -10.997 82 HB3 LEU 11 HB3 LEU 11 14.509 10.384 -11.023 83 HG LEU 11 HG LEU 11 14.655 7.802 -12.619 84 HD11 LEU 11 HD11 LEU 11 14.098 9.221 -14.543 85 HD12 LEU 11 HD12 LEU 11 12.787 9.200 -13.341 86 HD13 LEU 11 HD13 LEU 11 13.869 10.609 -13.453 87 HD21 LEU 11 HD21 LEU 11 16.481 8.989 -13.789 88 HD22 LEU 11 HD22 LEU 11 16.286 10.375 -12.687 89 HD23 LEU 11 HD23 LEU 11 16.843 8.807 -12.055 90 H ALA 12 H ALA 12 15.628 10.985 -9.209 91 HA ALA 12 HA ALA 12 14.465 10.763 -6.537 92 HB1 ALA 12 HB1 ALA 12 14.975 13.179 -6.383 93 HB2 ALA 12 HB2 ALA 12 16.386 12.241 -6.928 94 HB3 ALA 12 HB3 ALA 12 15.437 13.184 -8.100 95 H ARG 13 H ARG 13 12.707 12.042 -5.757 96 HA ARG 13 HA ARG 13 10.391 11.721 -7.397 97 HB2 ARG 13 HB2 ARG 13 9.171 12.749 -5.590 98 HB3 ARG 13 HB3 ARG 13 10.390 11.687 -4.902 99 HG2 ARG 13 HG2 ARG 13 11.833 13.669 -4.482 100 HG3 ARG 13 HG3 ARG 13 10.515 14.706 -5.078 101 HD2 ARG 13 HD2 ARG 13 9.051 13.811 -3.345 102 HD3 ARG 13 HD3 ARG 13 10.398 12.821 -2.737 103 HE ARG 13 HE ARG 13 10.014 15.694 -2.417 104 HH11 ARG 13 HH11 ARG 13 12.251 12.991 -2.236 105 HH12 ARG 13 HH12 ARG 13 13.347 13.809 -1.147 106 HH21 ARG 13 HH21 ARG 13 11.445 16.746 -1.002 107 HH22 ARG 13 HH22 ARG 13 12.893 15.934 -0.447 108 H GLY 14 H GLY 14 12.767 14.131 -7.382 109 HA2 GLY 14 HA2 GLY 14 10.869 16.165 -8.495 110 HA3 GLY 14 HA3 GLY 14 12.370 16.554 -7.675 111 H ALA 15 H ALA 15 12.394 13.802 -9.781 112 HA ALA 15 HA ALA 15 14.458 14.929 -11.417 113 HB1 ALA 15 HB1 ALA 15 14.218 12.862 -12.754 114 HB2 ALA 15 HB2 ALA 15 14.281 12.516 -11.009 115 HB3 ALA 15 HB3 ALA 15 12.724 12.474 -11.870 116 H SER 16 H SER 16 14.264 14.722 -13.909 117 HA SER 16 HA SER 16 12.059 16.599 -14.587 118 HB2 SER 16 HB2 SER 16 13.450 17.339 -16.403 119 HB3 SER 16 HB3 SER 16 14.430 17.302 -14.945 120 HG SER 16 HG SER 16 15.645 15.935 -15.843 121 H ASP 17 H ASP 17 11.094 16.476 -16.732 122 HA ASP 17 HA ASP 17 9.936 13.966 -17.260 123 HB2 ASP 17 HB2 ASP 17 10.291 16.409 -19.033 124 HB3 ASP 17 HB3 ASP 17 9.364 15.000 -19.530 125 H GLU 18 H GLU 18 12.765 15.522 -18.754 126 HA GLU 18 HA GLU 18 13.215 13.526 -20.743 127 HB2 GLU 18 HB2 GLU 18 14.290 15.746 -20.803 128 HB3 GLU 18 HB3 GLU 18 15.189 15.373 -19.340 129 HG2 GLU 18 HG2 GLU 18 16.362 13.558 -20.522 130 HG3 GLU 18 HG3 GLU 18 15.461 13.936 -21.988 131 H GLU 19 H GLU 19 14.583 13.927 -17.464 132 HA GLU 19 HA GLU 19 16.192 11.583 -17.509 133 HB2 GLU 19 HB2 GLU 19 14.871 13.099 -15.229 134 HB3 GLU 19 HB3 GLU 19 15.932 11.723 -14.963 135 HG2 GLU 19 HG2 GLU 19 17.798 12.876 -15.948 136 HG3 GLU 19 HG3 GLU 19 16.765 14.200 -16.482 137 H ILE 20 H ILE 20 12.789 12.088 -16.647 138 HA ILE 20 HA ILE 20 12.294 9.464 -15.647 139 HB ILE 20 HB ILE 20 10.484 11.544 -16.925 140 HG12 ILE 20 HG12 ILE 20 10.616 10.563 -14.070 141 HG13 ILE 20 HG13 ILE 20 11.539 11.936 -14.661 142 HG21 ILE 20 HG21 ILE 20 8.586 10.172 -16.167 143 HG22 ILE 20 HG22 ILE 20 9.554 9.307 -17.382 144 HG23 ILE 20 HG23 ILE 20 9.710 8.890 -15.659 145 HD11 ILE 20 HD11 ILE 20 9.496 12.660 -13.561 146 HD12 ILE 20 HD12 ILE 20 9.459 13.080 -15.292 147 HD13 ILE 20 HD13 ILE 20 8.523 11.689 -14.690 148 H LYS 21 H LYS 21 12.092 10.835 -18.925 149 HA LYS 21 HA LYS 21 11.061 8.469 -20.164 150 HB2 LYS 21 HB2 LYS 21 12.646 10.824 -21.248 151 HB3 LYS 21 HB3 LYS 21 12.054 9.524 -22.273 152 HG2 LYS 21 HG2 LYS 21 9.741 10.043 -21.643 153 HG3 LYS 21 HG3 LYS 21 10.314 11.318 -20.558 154 HD2 LYS 21 HD2 LYS 21 11.337 12.493 -22.489 155 HD3 LYS 21 HD3 LYS 21 10.737 11.226 -23.568 156 HE2 LYS 21 HE2 LYS 21 8.416 11.770 -22.932 157 HE3 LYS 21 HE3 LYS 21 9.001 13.019 -21.831 158 HZ1 LYS 21 HZ1 LYS 21 8.320 13.936 -23.924 159 HZ2 LYS 21 HZ2 LYS 21 9.942 14.161 -23.720 160 HZ3 LYS 21 HZ3 LYS 21 9.394 12.994 -24.748 161 H ARG 22 H ARG 22 14.388 9.693 -19.751 162 HA ARG 22 HA ARG 22 15.676 7.507 -21.054 163 HB2 ARG 22 HB2 ARG 22 16.629 9.359 -18.846 164 HB3 ARG 22 HB3 ARG 22 17.666 8.197 -19.661 165 HG2 ARG 22 HG2 ARG 22 17.293 9.335 -21.800 166 HG3 ARG 22 HG3 ARG 22 16.219 10.502 -20.991 167 HD2 ARG 22 HD2 ARG 22 18.114 11.109 -19.515 168 HD3 ARG 22 HD3 ARG 22 19.156 10.072 -20.518 169 HE ARG 22 HE ARG 22 18.067 12.685 -21.194 170 HH11 ARG 22 HH11 ARG 22 19.487 9.711 -22.407 171 HH12 ARG 22 HH12 ARG 22 20.051 10.438 -23.894 172 HH21 ARG 22 HH21 ARG 22 18.804 13.619 -23.128 173 HH22 ARG 22 HH22 ARG 22 19.665 12.652 -24.304 174 H ALA 23 H ALA 23 15.106 8.113 -17.565 175 HA ALA 23 HA ALA 23 16.005 5.635 -16.597 176 HB1 ALA 23 HB1 ALA 23 14.493 6.033 -14.681 177 HB2 ALA 23 HB2 ALA 23 15.384 7.505 -15.133 178 HB3 ALA 23 HB3 ALA 23 13.677 7.318 -15.601 179 H TYR 24 H TYR 24 12.808 6.519 -17.885 180 HA TYR 24 HA TYR 24 11.558 4.004 -17.419 181 HB2 TYR 24 HB2 TYR 24 10.244 5.967 -18.004 182 HB3 TYR 24 HB3 TYR 24 11.066 6.118 -19.549 183 HD1 TYR 24 HD1 TYR 24 9.110 3.567 -17.616 184 HD2 TYR 24 HD2 TYR 24 9.998 5.330 -21.425 185 HE1 TYR 24 HE1 TYR 24 7.384 2.150 -18.674 186 HE2 TYR 24 HE2 TYR 24 8.272 3.913 -22.483 187 HH TYR 24 HH TYR 24 6.611 2.466 -22.133 188 H ARG 25 H ARG 25 13.374 5.226 -20.234 189 HA ARG 25 HA ARG 25 13.174 2.955 -21.880 190 HB2 ARG 25 HB2 ARG 25 14.226 5.053 -22.600 191 HB3 ARG 25 HB3 ARG 25 15.549 4.806 -21.471 192 HG2 ARG 25 HG2 ARG 25 15.982 2.608 -22.767 193 HG3 ARG 25 HG3 ARG 25 14.943 3.330 -24.020 194 HD2 ARG 25 HD2 ARG 25 17.235 3.806 -24.494 195 HD3 ARG 25 HD3 ARG 25 16.402 5.307 -24.028 196 HE ARG 25 HE ARG 25 17.553 4.198 -21.714 197 HH11 ARG 25 HH11 ARG 25 18.555 5.618 -24.766 198 HH12 ARG 25 HH12 ARG 25 20.060 6.238 -24.128 199 HH21 ARG 25 HH21 ARG 25 19.511 5.007 -20.897 200 HH22 ARG 25 HH22 ARG 25 20.603 5.892 -21.938 201 H ARG 26 H ARG 26 15.570 3.664 -19.319 202 HA ARG 26 HA ARG 26 17.102 1.315 -19.554 203 HB2 ARG 26 HB2 ARG 26 17.774 3.173 -18.124 204 HB3 ARG 26 HB3 ARG 26 16.389 2.918 -17.075 205 HG2 ARG 26 HG2 ARG 26 17.289 0.726 -16.408 206 HG3 ARG 26 HG3 ARG 26 18.699 0.998 -17.461 207 HD2 ARG 26 HD2 ARG 26 19.234 1.529 -15.182 208 HD3 ARG 26 HD3 ARG 26 19.239 3.006 -16.174 209 HE ARG 26 HE ARG 26 16.710 2.488 -14.854 210 HH11 ARG 26 HH11 ARG 26 19.894 3.938 -14.537 211 HH12 ARG 26 HH12 ARG 26 19.396 5.061 -13.292 212 HH21 ARG 26 HH21 ARG 26 16.076 3.951 -13.237 213 HH22 ARG 26 HH22 ARG 26 17.235 5.069 -12.555 214 H GLN 27 H GLN 27 14.087 1.898 -17.745 215 HA GLN 27 HA GLN 27 14.255 -0.677 -16.398 216 HB2 GLN 27 HB2 GLN 27 12.083 1.447 -16.537 217 HB3 GLN 27 HB3 GLN 27 11.916 -0.038 -15.612 218 HG2 GLN 27 HG2 GLN 27 14.060 2.055 -15.196 219 HG3 GLN 27 HG3 GLN 27 12.588 1.839 -14.209 220 HE21 GLN 27 HE21 GLN 27 15.731 0.125 -12.818 221 HE22 GLN 27 HE22 GLN 27 15.536 1.670 -13.577 222 H ALA 28 H ALA 28 12.334 0.696 -19.058 223 HA ALA 28 HA ALA 28 10.776 -1.650 -19.536 224 HB1 ALA 28 HB1 ALA 28 10.371 -0.663 -21.767 225 HB2 ALA 28 HB2 ALA 28 10.180 0.540 -20.468 226 HB3 ALA 28 HB3 ALA 28 11.654 0.531 -21.462 227 H LEU 29 H LEU 29 13.966 -0.615 -20.695 228 HA LEU 29 HA LEU 29 14.442 -2.955 -22.297 229 HB2 LEU 29 HB2 LEU 29 16.306 -1.038 -20.861 230 HB3 LEU 29 HB3 LEU 29 16.876 -2.354 -21.893 231 HG LEU 29 HG LEU 29 15.099 -0.074 -22.833 232 HD11 LEU 29 HD11 LEU 29 17.136 0.778 -23.904 233 HD12 LEU 29 HD12 LEU 29 17.295 0.732 -22.132 234 HD13 LEU 29 HD13 LEU 29 18.084 -0.514 -23.129 235 HD21 LEU 29 HD21 LEU 29 15.712 -0.928 -25.070 236 HD22 LEU 29 HD22 LEU 29 16.640 -2.245 -24.313 237 HD23 LEU 29 HD23 LEU 29 14.873 -2.175 -24.117 238 H ARG 30 H ARG 30 14.827 -2.205 -18.864 239 HA ARG 30 HA ARG 30 16.370 -4.470 -18.128 240 HB2 ARG 30 HB2 ARG 30 15.929 -2.525 -16.650 241 HB3 ARG 30 HB3 ARG 30 14.250 -3.022 -16.503 242 HG2 ARG 30 HG2 ARG 30 14.956 -5.112 -15.413 243 HG3 ARG 30 HG3 ARG 30 16.655 -4.599 -15.554 244 HD2 ARG 30 HD2 ARG 30 16.187 -2.652 -14.193 245 HD3 ARG 30 HD3 ARG 30 14.482 -3.142 -14.065 246 HE ARG 30 HE ARG 30 16.303 -5.206 -13.201 247 HH11 ARG 30 HH11 ARG 30 14.669 -2.252 -12.227 248 HH12 ARG 30 HH12 ARG 30 14.712 -2.642 -10.523 249 HH21 ARG 30 HH21 ARG 30 16.354 -5.700 -10.985 250 HH22 ARG 30 HH22 ARG 30 15.666 -4.594 -9.819 251 H TYR 31 H TYR 31 12.863 -4.035 -18.493 252 HA TYR 31 HA TYR 31 12.501 -6.907 -17.771 253 HB2 TYR 31 HB2 TYR 31 10.483 -4.625 -17.814 254 HB3 TYR 31 HB3 TYR 31 10.113 -6.294 -17.401 255 HD1 TYR 31 HD1 TYR 31 11.037 -3.128 -16.143 256 HD2 TYR 31 HD2 TYR 31 11.532 -7.333 -15.451 257 HE1 TYR 31 HE1 TYR 31 11.612 -2.672 -13.783 258 HE2 TYR 31 HE2 TYR 31 12.108 -6.878 -13.091 259 HH TYR 31 HH TYR 31 11.999 -3.589 -11.773 260 H HIS 32 H HIS 32 12.999 -5.140 -20.433 261 HA HIS 32 HA HIS 32 11.034 -5.805 -22.311 262 HB2 HIS 32 HB2 HIS 32 13.198 -4.502 -22.687 263 HB3 HIS 32 HB3 HIS 32 14.013 -6.054 -22.826 264 HD2 HIS 32 HD2 HIS 32 11.957 -3.639 -24.988 265 HE1 HIS 32 HE1 HIS 32 12.398 -7.252 -27.206 266 HE2 HIS 32 HE2 HIS 32 11.671 -4.810 -27.296 267 HA PRO 33 HA PRO 33 10.493 -10.061 -22.267 268 HB2 PRO 33 HB2 PRO 33 10.322 -9.670 -25.293 269 HB3 PRO 33 HB3 PRO 33 9.268 -10.625 -24.244 270 HG2 PRO 33 HG2 PRO 33 8.425 -8.225 -25.001 271 HG3 PRO 33 HG3 PRO 33 8.211 -8.700 -23.314 272 HD2 PRO 33 HD2 PRO 33 10.292 -6.866 -24.545 273 HD3 PRO 33 HD3 PRO 33 9.433 -6.720 -22.959 274 H ASP 34 H ASP 34 12.693 -8.628 -24.674 275 HA ASP 34 HA ASP 34 14.091 -11.199 -25.048 276 HB2 ASP 34 HB2 ASP 34 14.473 -8.458 -26.312 277 HB3 ASP 34 HB3 ASP 34 15.470 -9.856 -26.688 278 H LYS 35 H LYS 35 14.114 -9.231 -22.586 279 HA LYS 35 HA LYS 35 17.090 -9.259 -22.303 280 HB2 LYS 35 HB2 LYS 35 15.133 -7.140 -21.329 281 HB3 LYS 35 HB3 LYS 35 16.831 -7.206 -20.878 282 HG2 LYS 35 HG2 LYS 35 15.806 -6.893 -23.715 283 HG3 LYS 35 HG3 LYS 35 16.363 -5.575 -22.674 284 HD2 LYS 35 HD2 LYS 35 18.590 -6.702 -22.501 285 HD3 LYS 35 HD3 LYS 35 18.020 -7.938 -23.633 286 HE2 LYS 35 HE2 LYS 35 17.623 -6.180 -25.338 287 HE3 LYS 35 HE3 LYS 35 18.223 -4.959 -24.212 288 HZ1 LYS 35 HZ1 LYS 35 19.916 -5.659 -25.740 289 HZ2 LYS 35 HZ2 LYS 35 20.339 -6.091 -24.205 290 HZ3 LYS 35 HZ3 LYS 35 19.779 -7.231 -25.257 291 H ASN 36 H ASN 36 13.930 -9.567 -20.751 292 HA ASN 36 HA ASN 36 15.173 -11.129 -18.580 293 HB2 ASN 36 HB2 ASN 36 15.255 -8.764 -17.805 294 HB3 ASN 36 HB3 ASN 36 13.512 -8.653 -18.006 295 HD21 ASN 36 HD21 ASN 36 14.464 -9.472 -14.466 296 HD22 ASN 36 HD22 ASN 36 15.001 -8.274 -15.595 297 H LYS 37 H LYS 37 14.074 -12.921 -18.485 298 HA LYS 37 HA LYS 37 11.099 -12.738 -18.729 299 HB2 LYS 37 HB2 LYS 37 12.951 -14.969 -19.658 300 HB3 LYS 37 HB3 LYS 37 11.198 -15.094 -19.609 301 HG2 LYS 37 HG2 LYS 37 11.048 -13.186 -21.208 302 HG3 LYS 37 HG3 LYS 37 12.814 -13.169 -21.302 303 HD2 LYS 37 HD2 LYS 37 12.787 -15.518 -22.101 304 HD3 LYS 37 HD3 LYS 37 11.017 -15.513 -22.028 305 HE2 LYS 37 HE2 LYS 37 10.978 -13.639 -23.667 306 HE3 LYS 37 HE3 LYS 37 12.739 -13.708 -23.768 307 HZ1 LYS 37 HZ1 LYS 37 11.705 -14.919 -25.544 308 HZ2 LYS 37 HZ2 LYS 37 12.546 -15.959 -24.578 309 HZ3 LYS 37 HZ3 LYS 37 10.900 -15.894 -24.484 310 H GLU 38 H GLU 38 10.728 -12.540 -16.546 311 HA GLU 38 HA GLU 38 11.043 -15.067 -15.046 312 HB2 GLU 38 HB2 GLU 38 13.048 -13.734 -14.454 313 HB3 GLU 38 HB3 GLU 38 12.023 -12.385 -13.984 314 HG2 GLU 38 HG2 GLU 38 11.045 -13.726 -12.185 315 HG3 GLU 38 HG3 GLU 38 12.017 -15.113 -12.673 316 HA PRO 39 HA PRO 39 6.865 -13.989 -14.063 317 HB2 PRO 39 HB2 PRO 39 7.444 -16.069 -11.928 318 HB3 PRO 39 HB3 PRO 39 6.053 -15.944 -13.012 319 HG2 PRO 39 HG2 PRO 39 7.923 -17.751 -13.570 320 HG3 PRO 39 HG3 PRO 39 7.260 -16.779 -14.888 321 HD2 PRO 39 HD2 PRO 39 9.878 -16.417 -13.370 322 HD3 PRO 39 HD3 PRO 39 9.572 -16.319 -15.152 323 H GLY 40 H GLY 40 6.204 -12.376 -12.761 324 HA2 GLY 40 HA2 GLY 40 5.980 -11.280 -10.622 325 HA3 GLY 40 HA3 GLY 40 7.495 -11.995 -10.104 326 H ALA 41 H ALA 41 9.253 -11.391 -12.114 327 HA ALA 41 HA ALA 41 9.644 -8.553 -12.079 328 HB1 ALA 41 HB1 ALA 41 11.332 -8.989 -13.834 329 HB2 ALA 41 HB2 ALA 41 11.485 -10.127 -12.475 330 HB3 ALA 41 HB3 ALA 41 10.724 -10.652 -13.994 331 H GLU 42 H GLU 42 8.094 -10.749 -14.407 332 HA GLU 42 HA GLU 42 7.306 -8.856 -16.336 333 HB2 GLU 42 HB2 GLU 42 5.830 -11.264 -15.206 334 HB3 GLU 42 HB3 GLU 42 5.248 -10.337 -16.583 335 HG2 GLU 42 HG2 GLU 42 7.260 -10.895 -17.847 336 HG3 GLU 42 HG3 GLU 42 7.916 -11.760 -16.459 337 H GLU 43 H GLU 43 5.980 -9.518 -13.119 338 HA GLU 43 HA GLU 43 3.804 -7.608 -13.424 339 HB2 GLU 43 HB2 GLU 43 5.000 -8.928 -10.954 340 HB3 GLU 43 HB3 GLU 43 3.554 -7.929 -10.947 341 HG2 GLU 43 HG2 GLU 43 3.883 -10.518 -12.482 342 HG3 GLU 43 HG3 GLU 43 3.070 -10.342 -10.928 343 H LYS 44 H LYS 44 7.042 -7.585 -11.943 344 HA LYS 44 HA LYS 44 7.047 -4.925 -10.995 345 HB2 LYS 44 HB2 LYS 44 9.250 -6.614 -12.232 346 HB3 LYS 44 HB3 LYS 44 9.541 -5.020 -11.552 347 HG2 LYS 44 HG2 LYS 44 8.743 -5.801 -9.354 348 HG3 LYS 44 HG3 LYS 44 8.438 -7.404 -10.038 349 HD2 LYS 44 HD2 LYS 44 10.843 -7.602 -10.623 350 HD3 LYS 44 HD3 LYS 44 11.138 -6.010 -9.907 351 HE2 LYS 44 HE2 LYS 44 10.366 -6.844 -7.716 352 HE3 LYS 44 HE3 LYS 44 10.041 -8.428 -8.423 353 HZ1 LYS 44 HZ1 LYS 44 12.153 -8.373 -7.316 354 HZ2 LYS 44 HZ2 LYS 44 12.379 -8.615 -8.932 355 HZ3 LYS 44 HZ3 LYS 44 12.682 -7.135 -8.270 356 H PHE 45 H PHE 45 7.603 -6.183 -14.276 357 HA PHE 45 HA PHE 45 8.116 -3.677 -15.523 358 HB2 PHE 45 HB2 PHE 45 8.356 -6.019 -16.528 359 HB3 PHE 45 HB3 PHE 45 6.617 -6.006 -16.773 360 HD1 PHE 45 HD1 PHE 45 8.066 -2.751 -17.074 361 HD2 PHE 45 HD2 PHE 45 7.344 -6.392 -19.189 362 HE1 PHE 45 HE1 PHE 45 8.375 -1.564 -19.219 363 HE2 PHE 45 HE2 PHE 45 7.656 -5.209 -21.337 364 HZ PHE 45 HZ PHE 45 8.170 -2.793 -21.351 365 H LYS 46 H LYS 46 5.076 -5.371 -14.780 366 HA LYS 46 HA LYS 46 3.349 -3.386 -15.920 367 HB2 LYS 46 HB2 LYS 46 2.933 -5.405 -13.685 368 HB3 LYS 46 HB3 LYS 46 1.652 -4.367 -14.295 369 HG2 LYS 46 HG2 LYS 46 1.873 -5.364 -16.526 370 HG3 LYS 46 HG3 LYS 46 3.202 -6.379 -15.950 371 HD2 LYS 46 HD2 LYS 46 1.656 -7.395 -14.272 372 HD3 LYS 46 HD3 LYS 46 0.333 -6.430 -14.942 373 HE2 LYS 46 HE2 LYS 46 0.565 -7.528 -17.107 374 HE3 LYS 46 HE3 LYS 46 1.991 -8.406 -16.549 375 HZ1 LYS 46 HZ1 LYS 46 0.031 -9.763 -16.465 376 HZ2 LYS 46 HZ2 LYS 46 0.604 -9.519 -14.938 377 HZ3 LYS 46 HZ3 LYS 46 -0.728 -8.699 -15.459 378 H GLU 47 H GLU 47 4.796 -3.764 -12.692 379 HA GLU 47 HA GLU 47 3.667 -1.437 -11.516 380 HB2 GLU 47 HB2 GLU 47 6.347 -2.814 -11.107 381 HB3 GLU 47 HB3 GLU 47 5.817 -1.450 -10.133 382 HG2 GLU 47 HG2 GLU 47 3.893 -2.720 -9.340 383 HG3 GLU 47 HG3 GLU 47 4.332 -4.075 -10.379 384 H ILE 48 H ILE 48 6.513 -1.873 -13.601 385 HA ILE 48 HA ILE 48 7.394 0.832 -13.573 386 HB ILE 48 HB ILE 48 7.601 -1.351 -15.681 387 HG12 ILE 48 HG12 ILE 48 8.810 -1.733 -13.587 388 HG13 ILE 48 HG13 ILE 48 9.898 -1.507 -14.947 389 HG21 ILE 48 HG21 ILE 48 9.262 0.080 -16.799 390 HG22 ILE 48 HG22 ILE 48 7.658 0.848 -16.794 391 HG23 ILE 48 HG23 ILE 48 8.908 1.395 -15.653 392 HD11 ILE 48 HD11 ILE 48 10.716 -0.354 -12.970 393 HD12 ILE 48 HD12 ILE 48 10.308 0.813 -14.251 394 HD13 ILE 48 HD13 ILE 48 9.207 0.583 -12.871 395 H ALA 49 H ALA 49 5.074 -0.852 -15.708 396 HA ALA 49 HA ALA 49 4.253 1.272 -17.306 397 HB1 ALA 49 HB1 ALA 49 2.036 0.178 -17.368 398 HB2 ALA 49 HB2 ALA 49 3.358 -1.004 -17.521 399 HB3 ALA 49 HB3 ALA 49 2.500 -0.824 -15.974 400 H GLU 50 H GLU 50 2.468 0.365 -14.331 401 HA GLU 50 HA GLU 50 1.120 2.665 -13.757 402 HB2 GLU 50 HB2 GLU 50 2.737 0.885 -11.906 403 HB3 GLU 50 HB3 GLU 50 1.781 2.227 -11.292 404 HG2 GLU 50 HG2 GLU 50 0.655 -0.035 -12.956 405 HG3 GLU 50 HG3 GLU 50 0.665 -0.002 -11.193 406 H ALA 51 H ALA 51 4.604 2.164 -13.160 407 HA ALA 51 HA ALA 51 4.988 4.643 -11.807 408 HB1 ALA 51 HB1 ALA 51 7.395 4.251 -12.218 409 HB2 ALA 51 HB2 ALA 51 6.578 2.782 -11.634 410 HB3 ALA 51 HB3 ALA 51 6.981 2.950 -13.358 411 H TYR 52 H TYR 52 4.941 3.785 -15.206 412 HA TYR 52 HA TYR 52 5.899 6.501 -15.931 413 HB2 TYR 52 HB2 TYR 52 6.780 4.351 -17.046 414 HB3 TYR 52 HB3 TYR 52 5.211 4.234 -17.829 415 HD1 TYR 52 HD1 TYR 52 7.656 7.008 -17.165 416 HD2 TYR 52 HD2 TYR 52 5.232 4.909 -20.016 417 HE1 TYR 52 HE1 TYR 52 8.431 8.534 -18.947 418 HE2 TYR 52 HE2 TYR 52 6.008 6.435 -21.798 419 HH TYR 52 HH TYR 52 7.259 8.193 -22.300 420 H ASP 53 H ASP 53 3.131 4.313 -16.596 421 HA ASP 53 HA ASP 53 1.225 5.881 -17.672 422 HB2 ASP 53 HB2 ASP 53 1.048 4.266 -15.109 423 HB3 ASP 53 HB3 ASP 53 -0.361 5.044 -15.815 424 H VAL 54 H VAL 54 2.228 6.225 -14.247 425 HA VAL 54 HA VAL 54 0.795 8.634 -13.755 426 HB VAL 54 HB VAL 54 3.350 7.500 -12.553 427 HG11 VAL 54 HG11 VAL 54 3.096 9.135 -10.750 428 HG12 VAL 54 HG12 VAL 54 3.413 9.915 -12.318 429 HG13 VAL 54 HG13 VAL 54 1.766 9.911 -11.642 430 HG21 VAL 54 HG21 VAL 54 1.845 6.995 -10.656 431 HG22 VAL 54 HG22 VAL 54 0.480 7.702 -11.553 432 HG23 VAL 54 HG23 VAL 54 1.271 6.226 -12.155 433 H LEU 55 H LEU 55 4.100 8.059 -14.994 434 HA LEU 55 HA LEU 55 4.602 10.974 -14.846 435 HB2 LEU 55 HB2 LEU 55 6.512 8.696 -15.471 436 HB3 LEU 55 HB3 LEU 55 6.953 10.380 -15.168 437 HG LEU 55 HG LEU 55 5.727 8.482 -13.134 438 HD11 LEU 55 HD11 LEU 55 7.951 8.566 -12.100 439 HD12 LEU 55 HD12 LEU 55 8.015 7.884 -13.743 440 HD13 LEU 55 HD13 LEU 55 8.542 9.559 -13.453 441 HD21 LEU 55 HD21 LEU 55 6.228 10.304 -11.542 442 HD22 LEU 55 HD22 LEU 55 6.797 11.323 -12.886 443 HD23 LEU 55 HD23 LEU 55 5.085 10.845 -12.793 444 H SER 56 H SER 56 3.352 8.895 -17.061 445 HA SER 56 HA SER 56 4.426 10.543 -19.311 446 HB2 SER 56 HB2 SER 56 3.689 8.765 -20.801 447 HB3 SER 56 HB3 SER 56 4.760 8.112 -19.570 448 HG SER 56 HG SER 56 2.888 7.524 -18.404 449 H ASP 57 H ASP 57 1.721 9.949 -17.315 450 HA ASP 57 HA ASP 57 -0.055 11.373 -19.239 451 HB2 ASP 57 HB2 ASP 57 -0.483 8.896 -19.328 452 HB3 ASP 57 HB3 ASP 57 -0.864 8.929 -17.611 453 HA PRO 58 HA PRO 58 -0.302 13.932 -15.724 454 HB2 PRO 58 HB2 PRO 58 -2.710 14.967 -17.278 455 HB3 PRO 58 HB3 PRO 58 -1.417 15.885 -16.497 456 HG2 PRO 58 HG2 PRO 58 -1.311 15.562 -19.134 457 HG3 PRO 58 HG3 PRO 58 0.171 15.366 -18.194 458 HD2 PRO 58 HD2 PRO 58 -1.670 13.236 -19.340 459 HD3 PRO 58 HD3 PRO 58 0.138 13.267 -19.272 460 H ARG 59 H ARG 59 -2.716 11.766 -16.870 461 HA ARG 59 HA ARG 59 -4.887 12.539 -15.143 462 HB2 ARG 59 HB2 ARG 59 -4.296 10.031 -16.735 463 HB3 ARG 59 HB3 ARG 59 -5.741 10.197 -15.748 464 HG2 ARG 59 HG2 ARG 59 -6.329 12.246 -17.081 465 HG3 ARG 59 HG3 ARG 59 -4.965 11.852 -18.155 466 HD2 ARG 59 HD2 ARG 59 -7.218 9.966 -17.524 467 HD3 ARG 59 HD3 ARG 59 -7.175 11.050 -18.935 468 HE ARG 59 HE ARG 59 -4.785 9.641 -18.989 469 HH11 ARG 59 HH11 ARG 59 -8.210 8.869 -19.071 470 HH12 ARG 59 HH12 ARG 59 -7.990 7.424 -20.033 471 HH21 ARG 59 HH21 ARG 59 -4.511 7.764 -20.238 472 HH22 ARG 59 HH22 ARG 59 -5.897 6.797 -20.693 473 H LYS 60 H LYS 60 -2.226 10.222 -14.888 474 HA LYS 60 HA LYS 60 -3.122 9.615 -12.107 475 HB2 LYS 60 HB2 LYS 60 -1.136 8.187 -13.919 476 HB3 LYS 60 HB3 LYS 60 -1.425 7.758 -12.238 477 HG2 LYS 60 HG2 LYS 60 -3.768 7.223 -12.759 478 HG3 LYS 60 HG3 LYS 60 -3.502 7.684 -14.446 479 HD2 LYS 60 HD2 LYS 60 -1.774 5.919 -14.651 480 HD3 LYS 60 HD3 LYS 60 -2.059 5.452 -12.968 481 HE2 LYS 60 HE2 LYS 60 -4.360 4.832 -13.480 482 HE3 LYS 60 HE3 LYS 60 -4.189 5.423 -15.136 483 HZ1 LYS 60 HZ1 LYS 60 -3.946 3.052 -15.015 484 HZ2 LYS 60 HZ2 LYS 60 -2.525 3.733 -15.504 485 HZ3 LYS 60 HZ3 LYS 60 -2.686 3.180 -13.959 486 H ARG 61 H ARG 61 -0.935 11.480 -13.909 487 HA ARG 61 HA ARG 61 1.311 11.613 -12.204 488 HB2 ARG 61 HB2 ARG 61 1.165 12.720 -14.413 489 HB3 ARG 61 HB3 ARG 61 -0.001 13.866 -13.767 490 HG2 ARG 61 HG2 ARG 61 2.139 14.923 -13.870 491 HG3 ARG 61 HG3 ARG 61 1.742 14.653 -12.155 492 HD2 ARG 61 HD2 ARG 61 3.110 12.595 -12.232 493 HD3 ARG 61 HD3 ARG 61 3.600 13.039 -13.883 494 HE ARG 61 HE ARG 61 4.388 14.349 -11.375 495 HH11 ARG 61 HH11 ARG 61 4.442 14.330 -14.888 496 HH12 ARG 61 HH12 ARG 61 5.808 15.418 -14.997 497 HH21 ARG 61 HH21 ARG 61 6.159 15.761 -11.530 498 HH22 ARG 61 HH22 ARG 61 6.780 16.230 -13.097 499 H GLU 62 H GLU 62 -1.488 13.861 -12.238 500 HA GLU 62 HA GLU 62 -0.905 15.223 -9.865 501 HB2 GLU 62 HB2 GLU 62 -2.720 15.856 -11.433 502 HB3 GLU 62 HB3 GLU 62 -3.648 14.447 -10.940 503 HG2 GLU 62 HG2 GLU 62 -3.817 15.333 -8.661 504 HG3 GLU 62 HG3 GLU 62 -2.848 16.730 -9.122 505 H ILE 63 H ILE 63 -2.486 12.081 -10.300 506 HA ILE 63 HA ILE 63 -3.555 11.994 -7.624 507 HB ILE 63 HB ILE 63 -3.148 9.838 -9.736 508 HG12 ILE 63 HG12 ILE 63 -5.686 11.154 -8.751 509 HG13 ILE 63 HG13 ILE 63 -4.790 11.698 -10.160 510 HG21 ILE 63 HG21 ILE 63 -4.600 8.423 -8.340 511 HG22 ILE 63 HG22 ILE 63 -3.091 8.826 -7.489 512 HG23 ILE 63 HG23 ILE 63 -4.600 9.669 -7.069 513 HD11 ILE 63 HD11 ILE 63 -6.652 10.273 -10.801 514 HD12 ILE 63 HD12 ILE 63 -5.102 9.504 -11.221 515 HD13 ILE 63 HD13 ILE 63 -6.012 8.954 -9.793 516 H PHE 64 H PHE 64 -1.147 9.779 -9.086 517 HA PHE 64 HA PHE 64 0.018 8.746 -6.825 518 HB2 PHE 64 HB2 PHE 64 0.760 8.099 -9.050 519 HB3 PHE 64 HB3 PHE 64 1.398 9.705 -9.360 520 HD1 PHE 64 HD1 PHE 64 1.792 6.801 -7.051 521 HD2 PHE 64 HD2 PHE 64 3.624 10.179 -8.915 522 HE1 PHE 64 HE1 PHE 64 3.989 6.097 -6.162 523 HE2 PHE 64 HE2 PHE 64 5.823 9.478 -8.030 524 HZ PHE 64 HZ PHE 64 6.004 7.437 -6.651 525 H ASP 65 H ASP 65 0.982 11.834 -8.366 526 HA ASP 65 HA ASP 65 3.005 12.458 -6.471 527 HB2 ASP 65 HB2 ASP 65 1.349 14.154 -8.362 528 HB3 ASP 65 HB3 ASP 65 2.537 14.878 -7.287 529 H ARG 66 H ARG 66 -0.473 13.097 -6.499 530 HA ARG 66 HA ARG 66 -0.446 15.026 -4.378 531 HB2 ARG 66 HB2 ARG 66 -2.329 14.772 -5.954 532 HB3 ARG 66 HB3 ARG 66 -2.675 13.178 -5.301 533 HG2 ARG 66 HG2 ARG 66 -3.242 14.159 -3.134 534 HG3 ARG 66 HG3 ARG 66 -2.844 15.779 -3.757 535 HD2 ARG 66 HD2 ARG 66 -4.932 13.966 -4.939 536 HD3 ARG 66 HD3 ARG 66 -5.257 15.243 -3.745 537 HE ARG 66 HE ARG 66 -4.681 15.562 -6.571 538 HH11 ARG 66 HH11 ARG 66 -4.675 17.113 -3.419 539 HH12 ARG 66 HH12 ARG 66 -4.776 18.732 -4.076 540 HH21 ARG 66 HH21 ARG 66 -4.812 17.667 -7.413 541 HH22 ARG 66 HH22 ARG 66 -4.853 19.046 -6.336 542 H TYR 67 H TYR 67 -1.264 11.536 -4.409 543 HA TYR 67 HA TYR 67 -0.929 11.567 -1.438 544 HB2 TYR 67 HB2 TYR 67 -2.766 9.871 -3.174 545 HB3 TYR 67 HB3 TYR 67 -2.496 9.586 -1.461 546 HD1 TYR 67 HD1 TYR 67 -4.712 10.956 -3.700 547 HD2 TYR 67 HD2 TYR 67 -2.719 11.920 -0.024 548 HE1 TYR 67 HE1 TYR 67 -6.506 12.564 -3.148 549 HE2 TYR 67 HE2 TYR 67 -4.514 13.528 0.527 550 HH TYR 67 HH TYR 67 -6.459 14.396 -0.090 551 H GLY 68 H GLY 68 -0.495 9.635 -4.398 552 HA2 GLY 68 HA2 GLY 68 1.863 8.543 -4.366 553 HA3 GLY 68 HA3 GLY 68 1.325 7.827 -2.858 554 H GLU 69 H GLU 69 1.530 5.715 -3.708 555 HA GLU 69 HA GLU 69 0.138 5.054 -6.209 556 HB2 GLU 69 HB2 GLU 69 1.220 2.917 -6.047 557 HB3 GLU 69 HB3 GLU 69 2.409 4.131 -5.598 558 HG2 GLU 69 HG2 GLU 69 0.795 2.742 -3.478 559 HG3 GLU 69 HG3 GLU 69 2.182 1.943 -4.216 560 H GLU 70 H GLU 70 -0.495 4.963 -2.826 561 HA GLU 70 HA GLU 70 -2.386 2.846 -2.711 562 HB2 GLU 70 HB2 GLU 70 -2.198 5.459 -1.166 563 HB3 GLU 70 HB3 GLU 70 -3.366 4.200 -0.791 564 HG2 GLU 70 HG2 GLU 70 -1.528 2.618 -0.365 565 HG3 GLU 70 HG3 GLU 70 -0.357 3.879 -0.743 566 H GLY 71 H GLY 71 -2.577 6.054 -4.067 567 HA2 GLY 71 HA2 GLY 71 -5.492 6.161 -4.122 568 HA3 GLY 71 HA3 GLY 71 -4.388 7.273 -4.909 569 H LEU 72 H LEU 72 -3.196 4.411 -5.851 570 HA LEU 72 HA LEU 72 -4.969 4.271 -8.249 571 HB2 LEU 72 HB2 LEU 72 -2.049 3.527 -7.870 572 HB3 LEU 72 HB3 LEU 72 -2.977 3.156 -9.326 573 HG LEU 72 HG LEU 72 -2.403 5.952 -8.281 574 HD11 LEU 72 HD11 LEU 72 -0.884 6.091 -10.204 575 HD12 LEU 72 HD12 LEU 72 -0.391 4.814 -9.068 576 HD13 LEU 72 HD13 LEU 72 -1.213 4.385 -10.587 577 HD21 LEU 72 HD21 LEU 72 -3.318 6.647 -10.470 578 HD22 LEU 72 HD22 LEU 72 -3.681 4.948 -10.858 579 HD23 LEU 72 HD23 LEU 72 -4.534 5.757 -9.522 580 H LYS 73 H LYS 73 -3.528 2.470 -5.611 581 HA LYS 73 HA LYS 73 -4.530 -0.102 -6.595 582 HB2 LYS 73 HB2 LYS 73 -2.492 0.007 -5.201 583 HB3 LYS 73 HB3 LYS 73 -3.413 0.711 -3.880 584 HG2 LYS 73 HG2 LYS 73 -4.711 -1.338 -3.634 585 HG3 LYS 73 HG3 LYS 73 -3.902 -2.048 -5.037 586 HD2 LYS 73 HD2 LYS 73 -1.727 -1.891 -3.863 587 HD3 LYS 73 HD3 LYS 73 -2.540 -1.186 -2.457 588 HE2 LYS 73 HE2 LYS 73 -3.899 -3.244 -2.218 589 HE3 LYS 73 HE3 LYS 73 -3.074 -3.949 -3.611 590 HZ1 LYS 73 HZ1 LYS 73 -2.119 -4.688 -1.554 591 HZ2 LYS 73 HZ2 LYS 73 -1.012 -3.798 -2.393 592 HZ3 LYS 73 HZ3 LYS 73 -1.783 -3.141 -1.091 593 H GLY 74 H GLY 74 -5.451 2.287 -4.119 594 HA2 GLY 74 HA2 GLY 74 -7.795 2.617 -3.531 595 HA3 GLY 74 HA3 GLY 74 -8.108 0.936 -3.924 596 H SER 75 H SER 75 -5.262 1.963 -2.117 597 HA SER 75 HA SER 75 -6.072 0.135 0.046 598 HB2 SER 75 HB2 SER 75 -3.797 0.001 -0.854 599 HB3 SER 75 HB3 SER 75 -3.509 1.686 -0.450 600 HG SER 75 HG SER 75 -3.289 1.205 1.549 601 H GLY 76 H GLY 76 -4.880 3.510 -0.196 602 HA2 GLY 76 HA2 GLY 76 -6.409 4.095 2.316 603 HA3 GLY 76 HA3 GLY 76 -4.939 4.930 1.851 604 HA PRO 77 HA PRO 77 -7.491 8.055 -0.031 605 HB2 PRO 77 HB2 PRO 77 -5.021 8.367 -1.755 606 HB3 PRO 77 HB3 PRO 77 -5.928 9.602 -0.872 607 HG2 PRO 77 HG2 PRO 77 -3.602 8.768 0.132 608 HG3 PRO 77 HG3 PRO 77 -4.970 9.014 1.222 609 HD2 PRO 77 HD2 PRO 77 -3.928 6.414 0.014 610 HD3 PRO 77 HD3 PRO 77 -4.419 6.757 1.721 611 H SER 78 H SER 78 -8.097 8.632 -2.355 612 HA SER 78 HA SER 78 -7.733 6.446 -4.299 613 HB2 SER 78 HB2 SER 78 -9.611 5.646 -2.954 614 HB3 SER 78 HB3 SER 78 -10.443 7.181 -3.146 615 HG SER 78 HG SER 78 -9.946 6.571 -5.525 616 H GLY 79 H GLY 79 -7.343 7.365 -6.171 617 HA2 GLY 79 HA2 GLY 79 -8.525 10.054 -6.728 618 HA3 GLY 79 HA3 GLY 79 -7.070 9.415 -7.470 619 H GLY 80 H GLY 80 -8.373 10.193 -9.408 620 HA2 GLY 80 HA2 GLY 80 -9.364 9.564 -11.411 621 HA3 GLY 80 HA3 GLY 80 -9.245 7.898 -10.877 622 H SER 81 H SER 81 -11.141 6.889 -10.830 623 HA SER 81 HA SER 81 -13.569 8.498 -10.151 624 HB2 SER 81 HB2 SER 81 -14.831 7.137 -11.700 625 HB3 SER 81 HB3 SER 81 -13.455 7.834 -12.542 626 HG SER 81 HG SER 81 -14.055 5.250 -11.955 627 H GLY 82 H GLY 82 -12.383 5.117 -10.320 628 HA2 GLY 82 HA2 GLY 82 -12.651 3.351 -8.841 629 HA3 GLY 82 HA3 GLY 82 -12.924 4.537 -7.578 630 H GLY 83 H GLY 83 -14.837 4.398 -6.604 631 HA2 GLY 83 HA2 GLY 83 -17.135 4.126 -6.310 632 HA3 GLY 83 HA3 GLY 83 -17.330 4.074 -8.052 633 H GLY 84 H GLY 84 -18.690 2.317 -8.152 634 HA2 GLY 84 HA2 GLY 84 -18.352 -0.106 -6.662 635 HA3 GLY 84 HA3 GLY 84 -19.358 0.095 -8.085 636 H ALA 85 H ALA 85 -16.777 1.150 -9.469 637 HA ALA 85 HA ALA 85 -16.046 -1.268 -10.770 638 HB1 ALA 85 HB1 ALA 85 -14.195 0.056 -11.740 639 HB2 ALA 85 HB2 ALA 85 -15.738 0.941 -11.797 640 HB3 ALA 85 HB3 ALA 85 -14.521 1.355 -10.569 641 H ASN 86 H ASN 86 -14.975 0.156 -7.802 642 HA ASN 86 HA ASN 86 -12.415 -1.205 -7.706 643 HB2 ASN 86 HB2 ASN 86 -14.114 0.162 -5.602 644 HB3 ASN 86 HB3 ASN 86 -12.566 -0.589 -5.240 645 HD21 ASN 86 HD21 ASN 86 -12.160 3.060 -5.960 646 HD22 ASN 86 HD22 ASN 86 -13.186 2.148 -4.904 647 H GLY 87 H GLY 87 -15.581 -2.293 -7.436 648 HA2 GLY 87 HA2 GLY 87 -14.969 -4.534 -5.628 649 HA3 GLY 87 HA3 GLY 87 -16.475 -4.261 -6.485 650 H THR 88 H THR 88 -14.161 -3.781 -8.766 651 HA THR 88 HA THR 88 -14.056 -6.675 -9.506 652 HB THR 88 HB THR 88 -13.881 -5.955 -11.859 653 HG1 THR 88 HG1 THR 88 -14.010 -3.360 -10.688 654 HG21 THR 88 HG21 THR 88 -16.160 -5.057 -12.132 655 HG22 THR 88 HG22 THR 88 -16.126 -6.345 -10.903 656 HG23 THR 88 HG23 THR 88 -16.207 -4.639 -10.404 657 H SER 89 H SER 89 -12.266 -3.589 -9.609 658 HA SER 89 HA SER 89 -9.742 -5.140 -9.866 659 HB2 SER 89 HB2 SER 89 -9.970 -3.273 -11.399 660 HB3 SER 89 HB3 SER 89 -10.350 -2.175 -10.081 661 HG SER 89 HG SER 89 -8.348 -1.911 -9.829 662 H PHE 90 H PHE 90 -8.244 -5.272 -8.297 663 HA PHE 90 HA PHE 90 -8.966 -3.996 -5.692 664 HB2 PHE 90 HB2 PHE 90 -7.900 -6.824 -6.039 665 HB3 PHE 90 HB3 PHE 90 -8.404 -6.063 -4.539 666 HD1 PHE 90 HD1 PHE 90 -9.370 -8.267 -7.049 667 HD2 PHE 90 HD2 PHE 90 -10.914 -5.110 -4.620 668 HE1 PHE 90 HE1 PHE 90 -11.661 -9.132 -7.384 669 HE2 PHE 90 HE2 PHE 90 -13.206 -5.973 -4.950 670 HZ PHE 90 HZ PHE 90 -13.580 -7.984 -6.335 671 H SER 91 H SER 91 -6.782 -3.954 -8.063 672 HA SER 91 HA SER 91 -4.533 -3.457 -6.178 673 HB2 SER 91 HB2 SER 91 -4.330 -5.749 -7.185 674 HB3 SER 91 HB3 SER 91 -4.269 -5.004 -8.775 675 HG SER 91 HG SER 91 -2.267 -5.493 -7.476 676 H TYR 92 H TYR 92 -2.718 -3.140 -8.488 677 HA TYR 92 HA TYR 92 -3.409 -0.357 -9.085 678 HB2 TYR 92 HB2 TYR 92 -1.035 -2.027 -10.011 679 HB3 TYR 92 HB3 TYR 92 -1.197 -0.283 -10.171 680 HD1 TYR 92 HD1 TYR 92 -0.286 -3.026 -8.000 681 HD2 TYR 92 HD2 TYR 92 -1.240 1.155 -8.116 682 HE1 TYR 92 HE1 TYR 92 0.761 -2.725 -5.781 683 HE2 TYR 92 HE2 TYR 92 -0.193 1.456 -5.899 684 HH TYR 92 HH TYR 92 1.317 -1.274 -4.190 685 H THR 93 H THR 93 -3.712 0.563 -11.098 686 HA THR 93 HA THR 93 -5.260 -1.044 -12.915 687 HB THR 93 HB THR 93 -5.373 0.986 -14.308 688 HG1 THR 93 HG1 THR 93 -3.019 1.502 -13.130 689 HG21 THR 93 HG21 THR 93 -6.321 2.527 -12.637 690 HG22 THR 93 HG22 THR 93 -6.813 0.850 -12.305 691 HG23 THR 93 HG23 THR 93 -5.530 1.610 -11.335 692 H PHE 94 H PHE 94 -3.579 -2.729 -13.209 693 HA PHE 94 HA PHE 94 -1.322 -2.055 -14.936 694 HB2 PHE 94 HB2 PHE 94 -2.474 -4.702 -13.976 695 HB3 PHE 94 HB3 PHE 94 -1.070 -4.585 -15.025 696 HD1 PHE 94 HD1 PHE 94 -1.497 -5.655 -12.067 697 HD2 PHE 94 HD2 PHE 94 0.188 -2.120 -13.773 698 HE1 PHE 94 HE1 PHE 94 -0.043 -5.394 -10.085 699 HE2 PHE 94 HE2 PHE 94 1.647 -1.857 -11.795 700 HZ PHE 94 HZ PHE 94 1.529 -3.495 -9.949 701 H HIS 95 H HIS 95 -3.035 -0.982 -16.425 702 HA HIS 95 HA HIS 95 -3.504 -2.973 -18.610 703 HB2 HIS 95 HB2 HIS 95 -5.364 -0.703 -17.811 704 HB3 HIS 95 HB3 HIS 95 -5.532 -1.686 -19.258 705 HD2 HIS 95 HD2 HIS 95 -6.676 -1.706 -15.636 706 HE1 HIS 95 HE1 HIS 95 -7.245 -5.669 -17.098 707 H GLY 96 H GLY 96 -3.541 0.585 -18.017 708 HA2 GLY 96 HA2 GLY 96 -2.412 1.821 -20.049 709 HA3 GLY 96 HA3 GLY 96 -1.598 1.892 -18.497 710 H ASP 97 H ASP 97 -1.336 0.978 -21.745 711 HA ASP 97 HA ASP 97 0.444 -1.309 -21.340 712 HB2 ASP 97 HB2 ASP 97 -1.175 -1.156 -23.255 713 HB3 ASP 97 HB3 ASP 97 -0.244 0.188 -23.901 714 HA PRO 98 HA PRO 98 3.924 1.431 -21.098 715 HB2 PRO 98 HB2 PRO 98 5.751 -0.434 -20.284 716 HB3 PRO 98 HB3 PRO 98 4.530 0.215 -19.183 717 HG2 PRO 98 HG2 PRO 98 4.475 -2.384 -20.776 718 HG3 PRO 98 HG3 PRO 98 4.128 -2.147 -19.061 719 HD2 PRO 98 HD2 PRO 98 2.126 -2.276 -20.908 720 HD3 PRO 98 HD3 PRO 98 2.010 -1.196 -19.461 721 H HIS 99 H HIS 99 3.341 -1.351 -23.058 722 HA HIS 99 HA HIS 99 5.945 -1.418 -24.383 723 HB2 HIS 99 HB2 HIS 99 4.537 -3.450 -24.111 724 HB3 HIS 99 HB3 HIS 99 3.315 -2.735 -25.152 725 HD2 HIS 99 HD2 HIS 99 3.645 -3.328 -27.796 726 HE1 HIS 99 HE1 HIS 99 7.709 -4.594 -27.591 727 H ALA 100 H ALA 100 2.640 -0.467 -25.373 728 HA ALA 100 HA ALA 100 3.226 0.422 -27.951 729 HB1 ALA 100 HB1 ALA 100 1.275 1.923 -27.710 730 HB2 ALA 100 HB2 ALA 100 0.946 0.303 -27.051 731 HB3 ALA 100 HB3 ALA 100 1.297 1.657 -25.951 732 H MET 101 H MET 101 3.194 2.450 -24.996 733 HA MET 101 HA MET 101 4.232 4.785 -26.195 734 HB2 MET 101 HB2 MET 101 4.480 3.708 -23.365 735 HB3 MET 101 HB3 MET 101 5.056 5.300 -23.835 736 HG2 MET 101 HG2 MET 101 2.718 5.849 -24.584 737 HG3 MET 101 HG3 MET 101 2.198 4.303 -23.907 738 HE1 MET 101 HE1 MET 101 2.585 4.722 -20.112 739 HE2 MET 101 HE2 MET 101 1.822 3.812 -21.439 740 HE3 MET 101 HE3 MET 101 3.595 3.821 -21.268 741 H PHE 102 H PHE 102 6.015 2.200 -24.472 742 HA PHE 102 HA PHE 102 8.559 3.457 -24.808 743 HB2 PHE 102 HB2 PHE 102 8.181 1.770 -23.078 744 HB3 PHE 102 HB3 PHE 102 7.825 0.549 -24.288 745 HD1 PHE 102 HD1 PHE 102 10.568 3.037 -23.697 746 HD2 PHE 102 HD2 PHE 102 9.483 -1.000 -24.576 747 HE1 PHE 102 HE1 PHE 102 12.959 2.412 -23.767 748 HE2 PHE 102 HE2 PHE 102 11.872 -1.630 -24.644 749 HZ PHE 102 HZ PHE 102 13.611 0.078 -24.242 750 H ALA 103 H ALA 103 7.060 0.703 -26.543 751 HA ALA 103 HA ALA 103 9.167 0.273 -28.364 752 HB1 ALA 103 HB1 ALA 103 7.466 -0.820 -29.788 753 HB2 ALA 103 HB2 ALA 103 7.300 -1.293 -28.081 754 HB3 ALA 103 HB3 ALA 103 6.181 -0.104 -28.789 755 H GLU 104 H GLU 104 6.596 2.668 -28.375 756 HA GLU 104 HA GLU 104 7.135 3.584 -31.075 757 HB2 GLU 104 HB2 GLU 104 4.948 3.956 -29.993 758 HB3 GLU 104 HB3 GLU 104 5.710 4.940 -28.751 759 HG2 GLU 104 HG2 GLU 104 4.651 6.376 -30.342 760 HG3 GLU 104 HG3 GLU 104 6.397 6.565 -30.487 761 H PHE 105 H PHE 105 8.110 4.612 -27.810 762 HA PHE 105 HA PHE 105 9.436 7.003 -28.755 763 HB2 PHE 105 HB2 PHE 105 9.615 5.499 -26.115 764 HB3 PHE 105 HB3 PHE 105 10.385 7.048 -26.420 765 HD1 PHE 105 HD1 PHE 105 8.226 6.256 -24.333 766 HD2 PHE 105 HD2 PHE 105 8.057 8.145 -28.162 767 HE1 PHE 105 HE1 PHE 105 6.147 7.418 -23.666 768 HE2 PHE 105 HE2 PHE 105 5.980 9.310 -27.498 769 HZ PHE 105 HZ PHE 105 5.024 8.944 -25.250 770 H PHE 106 H PHE 106 10.650 3.863 -27.511 771 HA PHE 106 HA PHE 106 13.341 4.672 -28.536 772 HB2 PHE 106 HB2 PHE 106 12.656 2.937 -26.128 773 HB3 PHE 106 HB3 PHE 106 14.281 3.285 -26.699 774 HD1 PHE 106 HD1 PHE 106 11.445 4.494 -24.805 775 HD2 PHE 106 HD2 PHE 106 15.170 5.610 -26.576 776 HE1 PHE 106 HE1 PHE 106 11.501 6.530 -23.402 777 HE2 PHE 106 HE2 PHE 106 15.230 7.644 -25.174 778 HZ PHE 106 HZ PHE 106 13.393 8.104 -23.587 779 H GLY 107 H GLY 107 10.966 2.088 -28.209 780 HA2 GLY 107 HA2 GLY 107 10.576 0.367 -29.742 781 HA3 GLY 107 HA3 GLY 107 11.961 0.904 -30.675 782 H GLY 108 H GLY 108 12.224 0.253 -27.235 783 HA2 GLY 108 HA2 GLY 108 13.199 -1.491 -26.042 784 HA3 GLY 108 HA3 GLY 108 12.958 -2.529 -27.435 785 H ARG 109 H ARG 109 14.743 0.532 -27.486 786 HA ARG 109 HA ARG 109 17.310 -0.976 -27.449 787 HB2 ARG 109 HB2 ARG 109 16.538 1.168 -29.456 788 HB3 ARG 109 HB3 ARG 109 18.162 0.529 -29.253 789 HG2 ARG 109 HG2 ARG 109 15.775 -1.175 -30.001 790 HG3 ARG 109 HG3 ARG 109 16.889 -0.427 -31.173 791 HD2 ARG 109 HD2 ARG 109 18.750 -1.618 -30.096 792 HD3 ARG 109 HD3 ARG 109 17.575 -2.430 -29.036 793 HE ARG 109 HE ARG 109 18.053 -2.923 -31.878 794 HH11 ARG 109 HH11 ARG 109 15.958 -3.430 -29.102 795 HH12 ARG 109 HH12 ARG 109 15.191 -4.848 -29.783 796 HH21 ARG 109 HH21 ARG 109 17.050 -4.764 -32.749 797 HH22 ARG 109 HH22 ARG 109 15.808 -5.603 -31.847 798 H ASN 110 H ASN 110 19.157 0.275 -26.855 799 HA ASN 110 HA ASN 110 18.439 2.255 -24.813 800 HB2 ASN 110 HB2 ASN 110 20.113 0.465 -24.384 801 HB3 ASN 110 HB3 ASN 110 21.156 1.164 -25.615 802 HD21 ASN 110 HD21 ASN 110 21.500 2.428 -21.917 803 HD22 ASN 110 HD22 ASN 110 20.835 0.915 -22.437 Start of MODEL 7 1 H1 MET 1 1H MET 1 9.227 9.271 0.646 2 H2 MET 1 2H MET 1 9.694 8.070 -0.356 3 H3 MET 1 3H MET 1 8.114 8.460 -0.230 4 HA MET 1 HA MET 1 9.782 7.317 1.863 5 HB2 MET 1 HB2 MET 1 6.820 8.013 1.853 6 HB3 MET 1 HB3 MET 1 7.660 7.169 3.145 7 HG2 MET 1 HG2 MET 1 8.200 10.011 2.240 8 HG3 MET 1 HG3 MET 1 7.311 9.525 3.686 9 HE1 MET 1 HE1 MET 1 10.063 7.966 5.946 10 HE2 MET 1 HE2 MET 1 8.375 8.527 5.838 11 HE3 MET 1 HE3 MET 1 8.913 7.128 4.876 12 H GLY 2 H GLY 2 9.785 5.172 2.056 13 HA2 GLY 2 HA2 GLY 2 9.243 2.940 1.599 14 HA3 GLY 2 HA3 GLY 2 7.821 3.476 0.725 15 H LYS 3 H LYS 3 8.147 2.123 -1.041 16 HA LYS 3 HA LYS 3 10.375 2.975 -2.831 17 HB2 LYS 3 HB2 LYS 3 9.475 0.114 -2.303 18 HB3 LYS 3 HB3 LYS 3 10.566 0.591 -3.599 19 HG2 LYS 3 HG2 LYS 3 12.180 1.434 -1.916 20 HG3 LYS 3 HG3 LYS 3 11.088 0.903 -0.628 21 HD2 LYS 3 HD2 LYS 3 11.248 -1.426 -1.450 22 HD3 LYS 3 HD3 LYS 3 12.341 -0.895 -2.737 23 HE2 LYS 3 HE2 LYS 3 13.966 -0.117 -1.048 24 HE3 LYS 3 HE3 LYS 3 12.874 -0.623 0.245 25 HZ1 LYS 3 HZ1 LYS 3 14.556 -2.259 -0.180 26 HZ2 LYS 3 HZ2 LYS 3 13.072 -2.879 -0.548 27 HZ3 LYS 3 HZ3 LYS 3 14.092 -2.407 -1.755 28 H ASP 4 H ASP 4 8.310 4.307 -3.347 29 HA ASP 4 HA ASP 4 6.315 2.898 -4.943 30 HB2 ASP 4 HB2 ASP 4 5.341 5.078 -5.313 31 HB3 ASP 4 HB3 ASP 4 5.807 4.969 -3.622 32 H TYR 5 H TYR 5 6.054 4.938 -6.997 33 HA TYR 5 HA TYR 5 7.273 3.254 -8.943 34 HB2 TYR 5 HB2 TYR 5 6.134 6.047 -9.364 35 HB3 TYR 5 HB3 TYR 5 6.366 4.814 -10.596 36 HD1 TYR 5 HD1 TYR 5 5.400 2.980 -7.851 37 HD2 TYR 5 HD2 TYR 5 3.810 5.807 -10.660 38 HE1 TYR 5 HE1 TYR 5 3.122 2.124 -7.423 39 HE2 TYR 5 HE2 TYR 5 1.532 4.951 -10.231 40 HH TYR 5 HH TYR 5 0.826 2.151 -8.977 41 H TYR 6 H TYR 6 8.258 6.327 -7.541 42 HA TYR 6 HA TYR 6 10.307 6.900 -9.479 43 HB2 TYR 6 HB2 TYR 6 9.926 7.809 -6.599 44 HB3 TYR 6 HB3 TYR 6 11.191 8.423 -7.656 45 HD1 TYR 6 HD1 TYR 6 8.553 9.652 -6.241 46 HD2 TYR 6 HD2 TYR 6 9.716 8.621 -10.239 47 HE1 TYR 6 HE1 TYR 6 6.988 11.345 -7.132 48 HE2 TYR 6 HE2 TYR 6 8.151 10.314 -11.131 49 HH TYR 6 HH TYR 6 5.865 11.963 -9.086 50 H GLN 7 H GLN 7 10.175 4.912 -6.595 51 HA GLN 7 HA GLN 7 13.091 4.521 -6.592 52 HB2 GLN 7 HB2 GLN 7 10.889 3.230 -4.930 53 HB3 GLN 7 HB3 GLN 7 12.612 2.968 -4.697 54 HG2 GLN 7 HG2 GLN 7 11.167 5.611 -4.409 55 HG3 GLN 7 HG3 GLN 7 11.737 4.556 -3.085 56 HE21 GLN 7 HE21 GLN 7 14.129 7.394 -4.433 57 HE22 GLN 7 HE22 GLN 7 12.402 7.354 -4.571 58 H THR 8 H THR 8 10.403 3.213 -8.200 59 HA THR 8 HA THR 8 11.847 0.709 -8.829 60 HB THR 8 HB THR 8 9.889 0.160 -10.220 61 HG1 THR 8 HG1 THR 8 9.532 2.818 -10.151 62 HG21 THR 8 HG21 THR 8 8.184 0.084 -8.444 63 HG22 THR 8 HG22 THR 8 9.791 -0.331 -7.801 64 HG23 THR 8 HG23 THR 8 9.104 1.282 -7.505 65 H LEU 9 H LEU 9 11.182 3.883 -10.174 66 HA LEU 9 HA LEU 9 12.583 3.234 -12.671 67 HB2 LEU 9 HB2 LEU 9 11.617 5.859 -11.486 68 HB3 LEU 9 HB3 LEU 9 12.402 5.710 -13.062 69 HG LEU 9 HG LEU 9 9.771 4.390 -12.303 70 HD11 LEU 9 HD11 LEU 9 8.762 6.107 -13.740 71 HD12 LEU 9 HD12 LEU 9 9.592 6.825 -12.341 72 HD13 LEU 9 HD13 LEU 9 10.355 6.870 -13.947 73 HD21 LEU 9 HD21 LEU 9 9.626 3.970 -14.735 74 HD22 LEU 9 HD22 LEU 9 11.233 4.704 -14.958 75 HD23 LEU 9 HD23 LEU 9 11.065 3.191 -14.035 76 H GLY 10 H GLY 10 13.303 4.494 -9.497 77 HA2 GLY 10 HA2 GLY 10 15.465 4.585 -8.537 78 HA3 GLY 10 HA3 GLY 10 16.181 4.400 -10.127 79 H LEU 11 H LEU 11 13.655 6.753 -9.368 80 HA LEU 11 HA LEU 11 15.658 8.917 -9.859 81 HB2 LEU 11 HB2 LEU 11 12.704 8.864 -10.569 82 HB3 LEU 11 HB3 LEU 11 13.804 10.217 -10.845 83 HG LEU 11 HG LEU 11 14.001 7.485 -12.163 84 HD11 LEU 11 HD11 LEU 11 13.297 8.691 -14.181 85 HD12 LEU 11 HD12 LEU 11 12.057 8.764 -12.906 86 HD13 LEU 11 HD13 LEU 11 13.093 10.177 -13.223 87 HD21 LEU 11 HD21 LEU 11 15.724 8.587 -13.552 88 HD22 LEU 11 HD22 LEU 11 15.556 10.071 -12.584 89 HD23 LEU 11 HD23 LEU 11 16.190 8.586 -11.833 90 H ALA 12 H ALA 12 15.252 10.978 -8.834 91 HA ALA 12 HA ALA 12 13.880 10.815 -6.258 92 HB1 ALA 12 HB1 ALA 12 14.519 13.196 -6.045 93 HB2 ALA 12 HB2 ALA 12 15.908 12.177 -6.491 94 HB3 ALA 12 HB3 ALA 12 15.108 13.179 -7.723 95 H ARG 13 H ARG 13 12.093 12.053 -5.604 96 HA ARG 13 HA ARG 13 9.859 11.950 -7.261 97 HB2 ARG 13 HB2 ARG 13 10.480 13.758 -4.911 98 HB3 ARG 13 HB3 ARG 13 8.912 13.753 -5.705 99 HG2 ARG 13 HG2 ARG 13 8.575 11.416 -5.123 100 HG3 ARG 13 HG3 ARG 13 10.203 11.340 -4.405 101 HD2 ARG 13 HD2 ARG 13 8.529 11.606 -2.699 102 HD3 ARG 13 HD3 ARG 13 9.554 13.056 -2.798 103 HE ARG 13 HE ARG 13 7.743 14.290 -3.530 104 HH11 ARG 13 HH11 ARG 13 6.922 10.875 -3.463 105 HH12 ARG 13 HH12 ARG 13 5.209 11.154 -3.681 106 HH21 ARG 13 HH21 ARG 13 5.518 14.639 -3.814 107 HH22 ARG 13 HH22 ARG 13 4.413 13.284 -3.881 108 H GLY 14 H GLY 14 12.404 14.326 -7.217 109 HA2 GLY 14 HA2 GLY 14 10.665 16.313 -8.614 110 HA3 GLY 14 HA3 GLY 14 12.120 16.694 -7.714 111 H ALA 15 H ALA 15 12.151 13.880 -9.757 112 HA ALA 15 HA ALA 15 14.260 14.924 -11.408 113 HB1 ALA 15 HB1 ALA 15 13.986 12.825 -12.688 114 HB2 ALA 15 HB2 ALA 15 14.045 12.525 -10.934 115 HB3 ALA 15 HB3 ALA 15 12.487 12.485 -11.792 116 H SER 16 H SER 16 14.096 14.728 -13.873 117 HA SER 16 HA SER 16 11.883 16.545 -14.638 118 HB2 SER 16 HB2 SER 16 13.241 17.114 -16.546 119 HB3 SER 16 HB3 SER 16 14.246 17.180 -15.107 120 HG SER 16 HG SER 16 15.408 16.051 -16.464 121 H ASP 17 H ASP 17 10.770 16.285 -16.657 122 HA ASP 17 HA ASP 17 9.702 13.676 -17.015 123 HB2 ASP 17 HB2 ASP 17 9.651 16.132 -18.806 124 HB3 ASP 17 HB3 ASP 17 8.761 14.661 -19.169 125 H GLU 18 H GLU 18 12.316 15.397 -18.661 126 HA GLU 18 HA GLU 18 12.713 13.500 -20.762 127 HB2 GLU 18 HB2 GLU 18 13.710 15.774 -20.747 128 HB3 GLU 18 HB3 GLU 18 14.734 15.320 -19.392 129 HG2 GLU 18 HG2 GLU 18 15.876 13.662 -20.764 130 HG3 GLU 18 HG3 GLU 18 14.807 14.016 -22.120 131 H GLU 19 H GLU 19 14.166 13.790 -17.514 132 HA GLU 19 HA GLU 19 15.838 11.465 -17.813 133 HB2 GLU 19 HB2 GLU 19 16.248 13.285 -16.151 134 HB3 GLU 19 HB3 GLU 19 14.811 12.788 -15.270 135 HG2 GLU 19 HG2 GLU 19 16.778 11.926 -14.187 136 HG3 GLU 19 HG3 GLU 19 15.825 10.593 -14.835 137 H ILE 20 H ILE 20 12.558 12.000 -16.598 138 HA ILE 20 HA ILE 20 12.062 9.370 -15.645 139 HB ILE 20 HB ILE 20 10.251 11.487 -16.853 140 HG12 ILE 20 HG12 ILE 20 10.390 10.414 -14.031 141 HG13 ILE 20 HG13 ILE 20 11.333 11.790 -14.584 142 HG21 ILE 20 HG21 ILE 20 8.345 10.111 -16.122 143 HG22 ILE 20 HG22 ILE 20 9.295 9.276 -17.373 144 HG23 ILE 20 HG23 ILE 20 9.461 8.802 -15.666 145 HD11 ILE 20 HD11 ILE 20 9.307 12.513 -13.449 146 HD12 ILE 20 HD12 ILE 20 9.268 12.988 -15.165 147 HD13 ILE 20 HD13 ILE 20 8.313 11.594 -14.603 148 H LYS 21 H LYS 21 11.851 10.768 -18.907 149 HA LYS 21 HA LYS 21 10.898 8.382 -20.182 150 HB2 LYS 21 HB2 LYS 21 12.443 10.788 -21.208 151 HB3 LYS 21 HB3 LYS 21 11.937 9.472 -22.259 152 HG2 LYS 21 HG2 LYS 21 9.586 9.907 -21.716 153 HG3 LYS 21 HG3 LYS 21 10.069 11.193 -20.602 154 HD2 LYS 21 HD2 LYS 21 11.117 12.423 -22.482 155 HD3 LYS 21 HD3 LYS 21 10.620 11.139 -23.593 156 HE2 LYS 21 HE2 LYS 21 8.253 11.580 -23.066 157 HE3 LYS 21 HE3 LYS 21 8.730 12.837 -21.921 158 HZ1 LYS 21 HZ1 LYS 21 8.111 13.755 -24.034 159 HZ2 LYS 21 HZ2 LYS 21 9.709 14.047 -23.748 160 HZ3 LYS 21 HZ3 LYS 21 9.262 12.873 -24.817 161 H ARG 22 H ARG 22 14.141 9.592 -19.423 162 HA ARG 22 HA ARG 22 15.571 7.510 -20.775 163 HB2 ARG 22 HB2 ARG 22 16.297 9.251 -18.399 164 HB3 ARG 22 HB3 ARG 22 17.417 8.123 -19.148 165 HG2 ARG 22 HG2 ARG 22 17.357 9.347 -21.228 166 HG3 ARG 22 HG3 ARG 22 16.077 10.416 -20.605 167 HD2 ARG 22 HD2 ARG 22 17.603 11.201 -18.871 168 HD3 ARG 22 HD3 ARG 22 18.881 10.159 -19.540 169 HE ARG 22 HE ARG 22 18.095 11.649 -21.687 170 HH11 ARG 22 HH11 ARG 22 19.125 12.445 -18.424 171 HH12 ARG 22 HH12 ARG 22 19.828 13.979 -18.886 172 HH21 ARG 22 HH21 ARG 22 19.011 13.641 -22.275 173 HH22 ARG 22 HH22 ARG 22 19.764 14.657 -21.065 174 H ALA 23 H ALA 23 14.659 7.900 -17.329 175 HA ALA 23 HA ALA 23 15.495 5.331 -16.482 176 HB1 ALA 23 HB1 ALA 23 13.914 5.651 -14.607 177 HB2 ALA 23 HB2 ALA 23 14.874 7.117 -14.917 178 HB3 ALA 23 HB3 ALA 23 13.185 7.027 -15.467 179 H TYR 24 H TYR 24 12.475 6.412 -17.985 180 HA TYR 24 HA TYR 24 11.078 3.930 -17.744 181 HB2 TYR 24 HB2 TYR 24 9.910 5.991 -18.337 182 HB3 TYR 24 HB3 TYR 24 10.860 6.156 -19.807 183 HD1 TYR 24 HD1 TYR 24 8.797 3.474 -18.175 184 HD2 TYR 24 HD2 TYR 24 9.753 5.651 -21.746 185 HE1 TYR 24 HE1 TYR 24 7.097 2.180 -19.419 186 HE2 TYR 24 HE2 TYR 24 8.054 4.357 -22.991 187 HH TYR 24 HH TYR 24 6.199 1.767 -21.417 188 H ARG 25 H ARG 25 13.117 5.239 -20.372 189 HA ARG 25 HA ARG 25 13.089 3.038 -22.099 190 HB2 ARG 25 HB2 ARG 25 14.262 5.132 -22.606 191 HB3 ARG 25 HB3 ARG 25 15.439 4.810 -21.341 192 HG2 ARG 25 HG2 ARG 25 16.108 2.735 -22.608 193 HG3 ARG 25 HG3 ARG 25 15.063 3.303 -23.935 194 HD2 ARG 25 HD2 ARG 25 17.310 3.967 -24.362 195 HD3 ARG 25 HD3 ARG 25 16.347 5.409 -23.966 196 HE ARG 25 HE ARG 25 17.539 4.430 -21.598 197 HH11 ARG 25 HH11 ARG 25 18.428 5.960 -24.632 198 HH12 ARG 25 HH12 ARG 25 19.842 6.746 -23.967 199 HH21 ARG 25 HH21 ARG 25 19.378 5.455 -20.746 200 HH22 ARG 25 HH22 ARG 25 20.381 6.461 -21.768 201 H ARG 26 H ARG 26 15.394 3.609 -19.406 202 HA ARG 26 HA ARG 26 16.865 1.229 -19.827 203 HB2 ARG 26 HB2 ARG 26 16.451 2.905 -17.334 204 HB3 ARG 26 HB3 ARG 26 17.568 1.551 -17.404 205 HG2 ARG 26 HG2 ARG 26 18.713 2.733 -19.333 206 HG3 ARG 26 HG3 ARG 26 17.706 4.147 -18.939 207 HD2 ARG 26 HD2 ARG 26 19.482 2.740 -16.964 208 HD3 ARG 26 HD3 ARG 26 19.972 4.152 -17.930 209 HE ARG 26 HE ARG 26 18.076 4.091 -15.694 210 HH11 ARG 26 HH11 ARG 26 19.521 5.913 -18.328 211 HH12 ARG 26 HH12 ARG 26 19.072 7.468 -17.665 212 HH21 ARG 26 HH21 ARG 26 17.500 6.117 -14.843 213 HH22 ARG 26 HH22 ARG 26 17.928 7.584 -15.692 214 H GLN 27 H GLN 27 14.004 1.874 -17.827 215 HA GLN 27 HA GLN 27 14.177 -0.680 -16.452 216 HB2 GLN 27 HB2 GLN 27 12.029 1.465 -16.587 217 HB3 GLN 27 HB3 GLN 27 11.837 -0.013 -15.656 218 HG2 GLN 27 HG2 GLN 27 14.003 2.063 -15.259 219 HG3 GLN 27 HG3 GLN 27 12.549 1.828 -14.247 220 HE21 GLN 27 HE21 GLN 27 15.827 0.022 -13.133 221 HE22 GLN 27 HE22 GLN 27 15.672 1.519 -13.992 222 H ALA 28 H ALA 28 12.263 0.635 -19.141 223 HA ALA 28 HA ALA 28 10.767 -1.766 -19.612 224 HB1 ALA 28 HB1 ALA 28 10.372 -0.811 -21.860 225 HB2 ALA 28 HB2 ALA 28 10.113 0.395 -20.576 226 HB3 ALA 28 HB3 ALA 28 11.607 0.429 -21.541 227 H LEU 29 H LEU 29 13.983 -0.684 -20.589 228 HA LEU 29 HA LEU 29 14.539 -3.019 -22.201 229 HB2 LEU 29 HB2 LEU 29 16.341 -1.060 -20.740 230 HB3 LEU 29 HB3 LEU 29 16.942 -2.358 -21.774 231 HG LEU 29 HG LEU 29 15.129 -0.115 -22.726 232 HD11 LEU 29 HD11 LEU 29 17.160 0.805 -23.749 233 HD12 LEU 29 HD12 LEU 29 17.286 0.750 -21.976 234 HD13 LEU 29 HD13 LEU 29 18.130 -0.464 -22.966 235 HD21 LEU 29 HD21 LEU 29 15.811 -0.933 -24.956 236 HD22 LEU 29 HD22 LEU 29 16.763 -2.229 -24.190 237 HD23 LEU 29 HD23 LEU 29 14.990 -2.212 -24.029 238 H ARG 30 H ARG 30 14.730 -2.240 -18.770 239 HA ARG 30 HA ARG 30 16.272 -4.508 -17.965 240 HB2 ARG 30 HB2 ARG 30 15.839 -2.532 -16.526 241 HB3 ARG 30 HB3 ARG 30 14.148 -2.991 -16.411 242 HG2 ARG 30 HG2 ARG 30 14.786 -5.082 -15.277 243 HG3 ARG 30 HG3 ARG 30 16.498 -4.602 -15.383 244 HD2 ARG 30 HD2 ARG 30 16.043 -2.635 -14.055 245 HD3 ARG 30 HD3 ARG 30 14.321 -3.074 -13.975 246 HE ARG 30 HE ARG 30 16.050 -5.179 -13.029 247 HH11 ARG 30 HH11 ARG 30 14.482 -2.164 -12.143 248 HH12 ARG 30 HH12 ARG 30 14.462 -2.532 -10.432 249 HH21 ARG 30 HH21 ARG 30 16.020 -5.645 -10.807 250 HH22 ARG 30 HH22 ARG 30 15.333 -4.502 -9.676 251 H TYR 31 H TYR 31 12.836 -4.039 -18.612 252 HA TYR 31 HA TYR 31 12.365 -6.888 -17.842 253 HB2 TYR 31 HB2 TYR 31 10.398 -4.565 -17.973 254 HB3 TYR 31 HB3 TYR 31 9.974 -6.228 -17.588 255 HD1 TYR 31 HD1 TYR 31 10.843 -3.092 -16.256 256 HD2 TYR 31 HD2 TYR 31 11.329 -7.302 -15.589 257 HE1 TYR 31 HE1 TYR 31 11.312 -2.660 -13.868 258 HE2 TYR 31 HE2 TYR 31 11.796 -6.870 -13.201 259 HH TYR 31 HH TYR 31 11.582 -3.606 -11.845 260 H HIS 32 H HIS 32 13.065 -5.175 -20.479 261 HA HIS 32 HA HIS 32 11.291 -5.951 -22.500 262 HB2 HIS 32 HB2 HIS 32 13.507 -4.702 -22.736 263 HB3 HIS 32 HB3 HIS 32 14.302 -6.268 -22.687 264 HD2 HIS 32 HD2 HIS 32 12.471 -3.996 -25.195 265 HE1 HIS 32 HE1 HIS 32 13.156 -7.732 -27.127 266 HE2 HIS 32 HE2 HIS 32 12.425 -5.310 -27.442 267 HA PRO 33 HA PRO 33 10.669 -10.183 -22.247 268 HB2 PRO 33 HB2 PRO 33 10.890 -10.010 -25.291 269 HB3 PRO 33 HB3 PRO 33 9.694 -10.879 -24.319 270 HG2 PRO 33 HG2 PRO 33 8.997 -8.531 -25.343 271 HG3 PRO 33 HG3 PRO 33 8.567 -8.881 -23.666 272 HD2 PRO 33 HD2 PRO 33 10.817 -7.159 -24.752 273 HD3 PRO 33 HD3 PRO 33 9.772 -6.894 -23.298 274 H ASP 34 H ASP 34 13.190 -8.957 -24.444 275 HA ASP 34 HA ASP 34 14.561 -11.564 -24.485 276 HB2 ASP 34 HB2 ASP 34 15.197 -8.891 -25.793 277 HB3 ASP 34 HB3 ASP 34 16.200 -10.325 -25.961 278 H LYS 35 H LYS 35 14.286 -9.539 -22.107 279 HA LYS 35 HA LYS 35 17.196 -9.547 -21.427 280 HB2 LYS 35 HB2 LYS 35 15.157 -7.356 -20.870 281 HB3 LYS 35 HB3 LYS 35 16.770 -7.409 -20.172 282 HG2 LYS 35 HG2 LYS 35 16.167 -7.256 -23.141 283 HG3 LYS 35 HG3 LYS 35 16.606 -5.888 -22.108 284 HD2 LYS 35 HD2 LYS 35 18.758 -7.034 -21.560 285 HD3 LYS 35 HD3 LYS 35 18.321 -8.332 -22.682 286 HE2 LYS 35 HE2 LYS 35 18.210 -6.680 -24.531 287 HE3 LYS 35 HE3 LYS 35 18.675 -5.400 -23.409 288 HZ1 LYS 35 HZ1 LYS 35 20.548 -6.222 -24.637 289 HZ2 LYS 35 HZ2 LYS 35 20.742 -6.561 -23.034 290 HZ3 LYS 35 HZ3 LYS 35 20.307 -7.756 -24.083 291 H ASN 36 H ASN 36 13.851 -9.732 -20.306 292 HA ASN 36 HA ASN 36 14.761 -11.186 -17.908 293 HB2 ASN 36 HB2 ASN 36 14.753 -8.752 -17.292 294 HB3 ASN 36 HB3 ASN 36 13.036 -8.701 -17.671 295 HD21 ASN 36 HD21 ASN 36 13.813 -9.388 -14.007 296 HD22 ASN 36 HD22 ASN 36 14.538 -8.299 -15.142 297 H LYS 37 H LYS 37 13.647 -12.974 -17.926 298 HA LYS 37 HA LYS 37 10.711 -12.755 -18.444 299 HB2 LYS 37 HB2 LYS 37 12.587 -15.048 -19.143 300 HB3 LYS 37 HB3 LYS 37 10.835 -15.131 -19.255 301 HG2 LYS 37 HG2 LYS 37 10.897 -13.244 -20.900 302 HG3 LYS 37 HG3 LYS 37 12.664 -13.316 -20.848 303 HD2 LYS 37 HD2 LYS 37 12.584 -15.680 -21.591 304 HD3 LYS 37 HD3 LYS 37 10.818 -15.594 -21.657 305 HE2 LYS 37 HE2 LYS 37 10.991 -13.770 -23.340 306 HE3 LYS 37 HE3 LYS 37 12.750 -13.919 -23.302 307 HZ1 LYS 37 HZ1 LYS 37 11.801 -15.134 -25.122 308 HZ2 LYS 37 HZ2 LYS 37 12.516 -16.181 -24.066 309 HZ3 LYS 37 HZ3 LYS 37 10.873 -16.042 -24.104 310 H GLU 38 H GLU 38 12.070 -12.428 -15.922 311 HA GLU 38 HA GLU 38 11.778 -14.954 -14.475 312 HB2 GLU 38 HB2 GLU 38 13.537 -13.301 -13.875 313 HB3 GLU 38 HB3 GLU 38 12.295 -12.131 -13.457 314 HG2 GLU 38 HG2 GLU 38 11.491 -13.609 -11.666 315 HG3 GLU 38 HG3 GLU 38 12.720 -14.798 -12.092 316 HA PRO 39 HA PRO 39 7.487 -14.624 -13.588 317 HB2 PRO 39 HB2 PRO 39 8.420 -16.118 -11.107 318 HB3 PRO 39 HB3 PRO 39 7.051 -16.474 -12.169 319 HG2 PRO 39 HG2 PRO 39 9.255 -17.933 -12.439 320 HG3 PRO 39 HG3 PRO 39 8.437 -17.357 -13.895 321 HD2 PRO 39 HD2 PRO 39 10.908 -16.237 -12.512 322 HD3 PRO 39 HD3 PRO 39 10.603 -16.481 -14.279 323 H GLY 40 H GLY 40 6.641 -12.792 -12.807 324 HA2 GLY 40 HA2 GLY 40 5.953 -11.455 -10.902 325 HA3 GLY 40 HA3 GLY 40 7.460 -11.850 -10.096 326 H ALA 41 H ALA 41 9.149 -11.403 -12.441 327 HA ALA 41 HA ALA 41 9.546 -8.577 -12.326 328 HB1 ALA 41 HB1 ALA 41 11.112 -8.940 -14.207 329 HB2 ALA 41 HB2 ALA 41 11.347 -10.138 -12.911 330 HB3 ALA 41 HB3 ALA 41 10.484 -10.594 -14.399 331 H GLU 42 H GLU 42 7.717 -10.649 -14.527 332 HA GLU 42 HA GLU 42 6.935 -8.689 -16.411 333 HB2 GLU 42 HB2 GLU 42 5.431 -11.066 -15.255 334 HB3 GLU 42 HB3 GLU 42 4.807 -10.085 -16.574 335 HG2 GLU 42 HG2 GLU 42 6.708 -10.686 -17.971 336 HG3 GLU 42 HG3 GLU 42 7.431 -11.591 -16.643 337 H GLU 43 H GLU 43 5.612 -9.459 -13.195 338 HA GLU 43 HA GLU 43 3.596 -7.387 -13.297 339 HB2 GLU 43 HB2 GLU 43 4.866 -8.857 -10.952 340 HB3 GLU 43 HB3 GLU 43 3.509 -7.751 -10.805 341 HG2 GLU 43 HG2 GLU 43 3.522 -10.311 -12.420 342 HG3 GLU 43 HG3 GLU 43 2.824 -10.107 -10.814 343 H LYS 44 H LYS 44 6.947 -7.568 -12.160 344 HA LYS 44 HA LYS 44 7.029 -4.905 -11.078 345 HB2 LYS 44 HB2 LYS 44 9.206 -6.719 -12.182 346 HB3 LYS 44 HB3 LYS 44 9.529 -5.161 -11.433 347 HG2 LYS 44 HG2 LYS 44 8.544 -5.948 -9.324 348 HG3 LYS 44 HG3 LYS 44 8.178 -7.509 -10.072 349 HD2 LYS 44 HD2 LYS 44 10.593 -7.870 -10.493 350 HD3 LYS 44 HD3 LYS 44 10.954 -6.313 -9.734 351 HE2 LYS 44 HE2 LYS 44 9.982 -7.115 -7.610 352 HE3 LYS 44 HE3 LYS 44 9.595 -8.664 -8.363 353 HZ1 LYS 44 HZ1 LYS 44 11.630 -8.770 -7.123 354 HZ2 LYS 44 HZ2 LYS 44 11.942 -9.010 -8.724 355 HZ3 LYS 44 HZ3 LYS 44 12.304 -7.563 -8.020 356 H PHE 45 H PHE 45 7.277 -6.210 -14.324 357 HA PHE 45 HA PHE 45 8.097 -3.731 -15.560 358 HB2 PHE 45 HB2 PHE 45 8.206 -6.037 -16.617 359 HB3 PHE 45 HB3 PHE 45 6.459 -5.978 -16.793 360 HD1 PHE 45 HD1 PHE 45 7.646 -2.702 -17.136 361 HD2 PHE 45 HD2 PHE 45 7.415 -6.420 -19.230 362 HE1 PHE 45 HE1 PHE 45 7.901 -1.506 -19.285 363 HE2 PHE 45 HE2 PHE 45 7.674 -5.227 -21.380 364 HZ PHE 45 HZ PHE 45 7.914 -2.769 -21.407 365 H LYS 46 H LYS 46 4.946 -5.237 -14.848 366 HA LYS 46 HA LYS 46 3.324 -3.138 -15.886 367 HB2 LYS 46 HB2 LYS 46 2.891 -5.085 -13.592 368 HB3 LYS 46 HB3 LYS 46 1.656 -3.959 -14.138 369 HG2 LYS 46 HG2 LYS 46 1.659 -4.994 -16.362 370 HG3 LYS 46 HG3 LYS 46 2.945 -6.100 -15.857 371 HD2 LYS 46 HD2 LYS 46 1.440 -6.983 -14.070 372 HD3 LYS 46 HD3 LYS 46 0.151 -5.927 -14.668 373 HE2 LYS 46 HE2 LYS 46 0.161 -7.057 -16.828 374 HE3 LYS 46 HE3 LYS 46 1.550 -8.037 -16.350 375 HZ1 LYS 46 HZ1 LYS 46 -0.497 -9.240 -16.124 376 HZ2 LYS 46 HZ2 LYS 46 0.190 -9.027 -14.639 377 HZ3 LYS 46 HZ3 LYS 46 -1.108 -8.112 -15.086 378 H GLU 47 H GLU 47 4.912 -3.557 -12.734 379 HA GLU 47 HA GLU 47 3.927 -1.218 -11.482 380 HB2 GLU 47 HB2 GLU 47 6.585 -2.672 -11.255 381 HB3 GLU 47 HB3 GLU 47 6.182 -1.284 -10.254 382 HG2 GLU 47 HG2 GLU 47 4.256 -2.478 -9.334 383 HG3 GLU 47 HG3 GLU 47 4.597 -3.859 -10.372 384 H ILE 48 H ILE 48 6.757 -1.665 -13.615 385 HA ILE 48 HA ILE 48 7.446 1.119 -13.718 386 HB ILE 48 HB ILE 48 7.951 -1.150 -15.686 387 HG12 ILE 48 HG12 ILE 48 8.992 -1.484 -13.518 388 HG13 ILE 48 HG13 ILE 48 10.199 -1.145 -14.749 389 HG21 ILE 48 HG21 ILE 48 9.645 0.334 -16.678 390 HG22 ILE 48 HG22 ILE 48 8.017 1.030 -16.835 391 HG23 ILE 48 HG23 ILE 48 9.132 1.650 -15.596 392 HD11 ILE 48 HD11 ILE 48 10.712 0.015 -12.675 393 HD12 ILE 48 HD12 ILE 48 10.356 1.181 -13.973 394 HD13 ILE 48 HD13 ILE 48 9.136 0.837 -12.724 395 H ALA 49 H ALA 49 5.390 -0.945 -15.776 396 HA ALA 49 HA ALA 49 4.599 0.892 -17.701 397 HB1 ALA 49 HB1 ALA 49 2.454 -0.336 -17.792 398 HB2 ALA 49 HB2 ALA 49 3.844 -1.443 -17.672 399 HB3 ALA 49 HB3 ALA 49 2.843 -1.112 -16.238 400 H GLU 50 H GLU 50 3.066 0.430 -14.497 401 HA GLU 50 HA GLU 50 1.349 2.725 -14.785 402 HB2 GLU 50 HB2 GLU 50 1.022 0.743 -13.206 403 HB3 GLU 50 HB3 GLU 50 2.270 1.444 -12.186 404 HG2 GLU 50 HG2 GLU 50 0.923 3.459 -11.875 405 HG3 GLU 50 HG3 GLU 50 -0.314 2.819 -12.954 406 H ALA 51 H ALA 51 4.617 2.236 -13.599 407 HA ALA 51 HA ALA 51 4.882 4.717 -12.210 408 HB1 ALA 51 HB1 ALA 51 7.316 4.349 -12.462 409 HB2 ALA 51 HB2 ALA 51 6.477 2.871 -11.933 410 HB3 ALA 51 HB3 ALA 51 6.990 3.045 -13.626 411 H TYR 52 H TYR 52 4.935 3.895 -15.595 412 HA TYR 52 HA TYR 52 5.739 6.694 -16.237 413 HB2 TYR 52 HB2 TYR 52 6.937 4.727 -17.341 414 HB3 TYR 52 HB3 TYR 52 5.427 4.365 -18.167 415 HD1 TYR 52 HD1 TYR 52 7.610 7.351 -17.520 416 HD2 TYR 52 HD2 TYR 52 5.199 5.155 -20.306 417 HE1 TYR 52 HE1 TYR 52 8.195 8.965 -19.298 418 HE2 TYR 52 HE2 TYR 52 5.783 6.769 -22.085 419 HH TYR 52 HH TYR 52 7.477 9.725 -21.401 420 H ASP 53 H ASP 53 3.103 4.372 -16.452 421 HA ASP 53 HA ASP 53 1.211 5.852 -17.881 422 HB2 ASP 53 HB2 ASP 53 0.873 3.605 -16.749 423 HB3 ASP 53 HB3 ASP 53 0.690 4.461 -15.224 424 H VAL 54 H VAL 54 1.912 6.143 -14.367 425 HA VAL 54 HA VAL 54 0.561 8.538 -13.856 426 HB VAL 54 HB VAL 54 3.236 7.518 -12.825 427 HG11 VAL 54 HG11 VAL 54 3.037 9.157 -11.020 428 HG12 VAL 54 HG12 VAL 54 3.213 9.935 -12.610 429 HG13 VAL 54 HG13 VAL 54 1.618 9.869 -11.824 430 HG21 VAL 54 HG21 VAL 54 1.886 6.967 -10.825 431 HG22 VAL 54 HG22 VAL 54 0.435 7.609 -11.632 432 HG23 VAL 54 HG23 VAL 54 1.245 6.162 -12.277 433 H LEU 55 H LEU 55 3.713 8.049 -15.456 434 HA LEU 55 HA LEU 55 4.198 10.975 -15.210 435 HB2 LEU 55 HB2 LEU 55 6.146 8.732 -15.850 436 HB3 LEU 55 HB3 LEU 55 6.558 10.424 -15.555 437 HG LEU 55 HG LEU 55 5.363 8.529 -13.501 438 HD11 LEU 55 HD11 LEU 55 7.602 8.598 -12.497 439 HD12 LEU 55 HD12 LEU 55 7.638 7.907 -14.137 440 HD13 LEU 55 HD13 LEU 55 8.184 9.578 -13.863 441 HD21 LEU 55 HD21 LEU 55 5.904 10.355 -11.925 442 HD22 LEU 55 HD22 LEU 55 6.462 11.362 -13.283 443 HD23 LEU 55 HD23 LEU 55 4.748 10.900 -13.164 444 H SER 56 H SER 56 3.081 8.776 -17.452 445 HA SER 56 HA SER 56 3.952 10.566 -19.674 446 HB2 SER 56 HB2 SER 56 3.139 8.851 -21.180 447 HB3 SER 56 HB3 SER 56 4.242 8.129 -20.020 448 HG SER 56 HG SER 56 2.483 7.428 -18.843 449 H ASP 57 H ASP 57 1.143 9.329 -17.914 450 HA ASP 57 HA ASP 57 -0.543 11.326 -19.345 451 HB2 ASP 57 HB2 ASP 57 -1.401 8.990 -19.245 452 HB3 ASP 57 HB3 ASP 57 -1.362 9.056 -17.488 453 HA PRO 58 HA PRO 58 0.577 13.960 -16.114 454 HB2 PRO 58 HB2 PRO 58 -1.947 15.392 -17.084 455 HB3 PRO 58 HB3 PRO 58 -0.382 16.093 -16.651 456 HG2 PRO 58 HG2 PRO 58 -0.922 15.722 -19.229 457 HG3 PRO 58 HG3 PRO 58 0.682 15.294 -18.627 458 HD2 PRO 58 HD2 PRO 58 -1.660 13.493 -19.297 459 HD3 PRO 58 HD3 PRO 58 0.111 13.198 -19.514 460 H ARG 59 H ARG 59 -2.746 12.747 -16.464 461 HA ARG 59 HA ARG 59 -3.637 14.145 -14.051 462 HB2 ARG 59 HB2 ARG 59 -5.114 12.205 -15.862 463 HB3 ARG 59 HB3 ARG 59 -5.842 13.182 -14.595 464 HG2 ARG 59 HG2 ARG 59 -5.573 15.171 -15.795 465 HG3 ARG 59 HG3 ARG 59 -4.344 14.466 -16.873 466 HD2 ARG 59 HD2 ARG 59 -7.256 13.710 -16.774 467 HD3 ARG 59 HD3 ARG 59 -6.480 14.754 -17.988 468 HE ARG 59 HE ARG 59 -5.042 12.371 -17.980 469 HH11 ARG 59 HH11 ARG 59 -8.346 13.386 -18.613 470 HH12 ARG 59 HH12 ARG 59 -8.649 12.108 -19.768 471 HH21 ARG 59 HH21 ARG 59 -5.450 10.716 -19.481 472 HH22 ARG 59 HH22 ARG 59 -7.011 10.596 -20.259 473 H LYS 60 H LYS 60 -1.821 11.501 -14.369 474 HA LYS 60 HA LYS 60 -3.076 10.239 -11.966 475 HB2 LYS 60 HB2 LYS 60 -1.258 9.046 -14.093 476 HB3 LYS 60 HB3 LYS 60 -1.622 8.240 -12.574 477 HG2 LYS 60 HG2 LYS 60 -4.040 8.270 -13.162 478 HG3 LYS 60 HG3 LYS 60 -3.624 9.005 -14.717 479 HD2 LYS 60 HD2 LYS 60 -2.267 7.055 -15.317 480 HD3 LYS 60 HD3 LYS 60 -2.567 6.330 -13.730 481 HE2 LYS 60 HE2 LYS 60 -4.078 5.282 -15.255 482 HE3 LYS 60 HE3 LYS 60 -5.044 6.390 -14.278 483 HZ1 LYS 60 HZ1 LYS 60 -5.591 6.549 -16.594 484 HZ2 LYS 60 HZ2 LYS 60 -4.939 7.975 -16.078 485 HZ3 LYS 60 HZ3 LYS 60 -4.038 6.937 -16.990 486 H ARG 61 H ARG 61 -0.603 12.236 -13.018 487 HA ARG 61 HA ARG 61 1.248 11.467 -10.853 488 HB2 ARG 61 HB2 ARG 61 2.096 12.278 -13.059 489 HB3 ARG 61 HB3 ARG 61 1.344 13.837 -12.753 490 HG2 ARG 61 HG2 ARG 61 2.804 14.241 -10.870 491 HG3 ARG 61 HG3 ARG 61 3.491 12.604 -11.009 492 HD2 ARG 61 HD2 ARG 61 4.309 13.165 -13.243 493 HD3 ARG 61 HD3 ARG 61 3.670 14.813 -13.045 494 HE ARG 61 HE ARG 61 5.327 14.270 -10.844 495 HH11 ARG 61 HH11 ARG 61 5.589 14.652 -14.326 496 HH12 ARG 61 HH12 ARG 61 7.232 15.250 -14.262 497 HH21 ARG 61 HH21 ARG 61 7.459 15.047 -10.774 498 HH22 ARG 61 HH22 ARG 61 8.291 15.474 -12.252 499 H GLU 62 H GLU 62 -1.033 14.077 -11.677 500 HA GLU 62 HA GLU 62 -0.772 15.531 -9.235 501 HB2 GLU 62 HB2 GLU 62 -2.935 16.471 -9.758 502 HB3 GLU 62 HB3 GLU 62 -2.034 16.309 -11.258 503 HG2 GLU 62 HG2 GLU 62 -3.279 14.238 -11.771 504 HG3 GLU 62 HG3 GLU 62 -4.197 14.434 -10.280 505 H ILE 63 H ILE 63 -1.929 12.375 -9.855 506 HA ILE 63 HA ILE 63 -3.222 12.289 -7.178 507 HB ILE 63 HB ILE 63 -3.095 10.227 -9.419 508 HG12 ILE 63 HG12 ILE 63 -5.472 11.723 -8.295 509 HG13 ILE 63 HG13 ILE 63 -4.585 12.229 -9.725 510 HG21 ILE 63 HG21 ILE 63 -4.612 8.892 -8.014 511 HG22 ILE 63 HG22 ILE 63 -3.044 9.136 -7.208 512 HG23 ILE 63 HG23 ILE 63 -4.461 10.089 -6.705 513 HD11 ILE 63 HD11 ILE 63 -6.587 10.990 -10.328 514 HD12 ILE 63 HD12 ILE 63 -5.128 10.103 -10.831 515 HD13 ILE 63 HD13 ILE 63 -6.029 9.591 -9.384 516 H PHE 64 H PHE 64 -0.839 10.401 -9.079 517 HA PHE 64 HA PHE 64 0.191 8.823 -7.040 518 HB2 PHE 64 HB2 PHE 64 0.890 8.578 -9.372 519 HB3 PHE 64 HB3 PHE 64 1.684 10.144 -9.339 520 HD1 PHE 64 HD1 PHE 64 1.714 7.097 -7.152 521 HD2 PHE 64 HD2 PHE 64 3.967 10.003 -9.327 522 HE1 PHE 64 HE1 PHE 64 3.813 6.017 -6.418 523 HE2 PHE 64 HE2 PHE 64 6.068 8.924 -8.597 524 HZ PHE 64 HZ PHE 64 5.990 6.930 -7.140 525 H ASP 65 H ASP 65 1.553 11.983 -8.059 526 HA ASP 65 HA ASP 65 3.424 12.114 -5.908 527 HB2 ASP 65 HB2 ASP 65 2.216 14.252 -7.698 528 HB3 ASP 65 HB3 ASP 65 3.440 14.611 -6.488 529 H ARG 66 H ARG 66 0.101 13.301 -6.261 530 HA ARG 66 HA ARG 66 0.068 14.967 -3.958 531 HB2 ARG 66 HB2 ARG 66 -1.665 14.980 -5.741 532 HB3 ARG 66 HB3 ARG 66 -2.230 13.409 -5.194 533 HG2 ARG 66 HG2 ARG 66 -2.917 14.347 -3.061 534 HG3 ARG 66 HG3 ARG 66 -2.248 15.932 -3.519 535 HD2 ARG 66 HD2 ARG 66 -4.466 14.474 -4.938 536 HD3 ARG 66 HD3 ARG 66 -4.657 15.835 -3.810 537 HE ARG 66 HE ARG 66 -3.729 15.928 -6.574 538 HH11 ARG 66 HH11 ARG 66 -3.972 17.604 -3.496 539 HH12 ARG 66 HH12 ARG 66 -3.789 19.194 -4.205 540 HH21 ARG 66 HH21 ARG 66 -3.494 17.996 -7.482 541 HH22 ARG 66 HH22 ARG 66 -3.519 19.416 -6.460 542 H TYR 67 H TYR 67 -1.071 11.590 -4.364 543 HA TYR 67 HA TYR 67 -1.118 11.390 -1.383 544 HB2 TYR 67 HB2 TYR 67 -2.800 9.935 -3.463 545 HB3 TYR 67 HB3 TYR 67 -2.822 9.582 -1.741 546 HD1 TYR 67 HD1 TYR 67 -4.599 11.140 -4.204 547 HD2 TYR 67 HD2 TYR 67 -3.034 11.938 -0.290 548 HE1 TYR 67 HE1 TYR 67 -6.326 12.876 -3.867 549 HE2 TYR 67 HE2 TYR 67 -4.760 13.675 0.047 550 HH TYR 67 HH TYR 67 -7.252 14.290 -2.403 551 H GLY 68 H GLY 68 -0.468 9.575 -4.383 552 HA2 GLY 68 HA2 GLY 68 1.823 8.358 -4.131 553 HA3 GLY 68 HA3 GLY 68 1.058 7.584 -2.756 554 H GLU 69 H GLU 69 1.260 5.522 -3.711 555 HA GLU 69 HA GLU 69 0.084 5.068 -6.367 556 HB2 GLU 69 HB2 GLU 69 0.978 2.824 -6.174 557 HB3 GLU 69 HB3 GLU 69 2.217 3.965 -5.670 558 HG2 GLU 69 HG2 GLU 69 0.432 2.682 -3.622 559 HG3 GLU 69 HG3 GLU 69 1.793 1.793 -4.304 560 H GLU 70 H GLU 70 -0.919 4.965 -3.102 561 HA GLU 70 HA GLU 70 -2.794 2.822 -3.195 562 HB2 GLU 70 HB2 GLU 70 -2.771 5.391 -1.561 563 HB3 GLU 70 HB3 GLU 70 -3.915 4.081 -1.303 564 HG2 GLU 70 HG2 GLU 70 -2.087 2.554 -0.762 565 HG3 GLU 70 HG3 GLU 70 -0.908 3.822 -1.088 566 H GLY 71 H GLY 71 -2.872 6.044 -4.505 567 HA2 GLY 71 HA2 GLY 71 -5.782 6.178 -4.735 568 HA3 GLY 71 HA3 GLY 71 -4.624 7.311 -5.409 569 H LEU 72 H LEU 72 -3.438 4.406 -6.324 570 HA LEU 72 HA LEU 72 -4.974 4.445 -8.886 571 HB2 LEU 72 HB2 LEU 72 -2.097 3.662 -8.307 572 HB3 LEU 72 HB3 LEU 72 -2.899 3.397 -9.859 573 HG LEU 72 HG LEU 72 -2.451 6.121 -8.590 574 HD11 LEU 72 HD11 LEU 72 -0.708 6.378 -10.300 575 HD12 LEU 72 HD12 LEU 72 -0.342 5.042 -9.184 576 HD13 LEU 72 HD13 LEU 72 -0.965 4.695 -10.815 577 HD21 LEU 72 HD21 LEU 72 -3.098 6.933 -10.833 578 HD22 LEU 72 HD22 LEU 72 -3.388 5.258 -11.357 579 HD23 LEU 72 HD23 LEU 72 -4.409 5.985 -10.094 580 H LYS 73 H LYS 73 -3.883 2.518 -6.195 581 HA LYS 73 HA LYS 73 -4.916 0.035 -7.383 582 HB2 LYS 73 HB2 LYS 73 -3.013 0.002 -5.776 583 HB3 LYS 73 HB3 LYS 73 -4.064 0.653 -4.526 584 HG2 LYS 73 HG2 LYS 73 -5.426 -1.351 -4.542 585 HG3 LYS 73 HG3 LYS 73 -4.533 -1.994 -5.927 586 HD2 LYS 73 HD2 LYS 73 -2.457 -2.018 -4.565 587 HD3 LYS 73 HD3 LYS 73 -3.370 -1.405 -3.179 588 HE2 LYS 73 HE2 LYS 73 -4.811 -3.418 -3.241 589 HE3 LYS 73 HE3 LYS 73 -3.892 -4.033 -4.617 590 HZ1 LYS 73 HZ1 LYS 73 -3.147 -4.987 -2.563 591 HZ2 LYS 73 HZ2 LYS 73 -1.940 -4.075 -3.223 592 HZ3 LYS 73 HZ3 LYS 73 -2.799 -3.502 -1.935 593 H GLY 74 H GLY 74 -5.977 2.560 -5.157 594 HA2 GLY 74 HA2 GLY 74 -8.333 3.004 -4.792 595 HA3 GLY 74 HA3 GLY 74 -8.691 1.320 -5.128 596 H SER 75 H SER 75 -6.021 2.406 -3.076 597 HA SER 75 HA SER 75 -7.437 1.172 -0.748 598 HB2 SER 75 HB2 SER 75 -5.253 0.326 0.002 599 HB3 SER 75 HB3 SER 75 -5.693 -0.324 -1.570 600 HG SER 75 HG SER 75 -3.599 1.156 -0.851 601 H GLY 76 H GLY 76 -6.828 4.035 -1.834 602 HA2 GLY 76 HA2 GLY 76 -6.125 5.135 0.831 603 HA3 GLY 76 HA3 GLY 76 -5.084 5.577 -0.509 604 HA PRO 77 HA PRO 77 -8.433 8.672 -0.215 605 HB2 PRO 77 HB2 PRO 77 -6.179 10.434 -1.189 606 HB3 PRO 77 HB3 PRO 77 -7.319 10.709 0.135 607 HG2 PRO 77 HG2 PRO 77 -4.811 10.002 0.725 608 HG3 PRO 77 HG3 PRO 77 -6.147 9.287 1.632 609 HD2 PRO 77 HD2 PRO 77 -4.589 8.118 -0.718 610 HD3 PRO 77 HD3 PRO 77 -5.042 7.329 0.847 611 H SER 78 H SER 78 -9.333 7.524 -2.066 612 HA SER 78 HA SER 78 -8.877 9.058 -4.577 613 HB2 SER 78 HB2 SER 78 -7.710 6.931 -4.846 614 HB3 SER 78 HB3 SER 78 -9.138 6.043 -4.339 615 HG SER 78 HG SER 78 -9.978 7.578 -6.205 616 H GLY 79 H GLY 79 -10.699 10.214 -4.657 617 HA2 GLY 79 HA2 GLY 79 -13.307 8.859 -4.232 618 HA3 GLY 79 HA3 GLY 79 -13.056 10.581 -4.441 619 H GLY 80 H GLY 80 -14.891 10.292 -5.969 620 HA2 GLY 80 HA2 GLY 80 -14.683 10.854 -8.480 621 HA3 GLY 80 HA3 GLY 80 -13.988 9.250 -8.627 622 H SER 81 H SER 81 -15.654 8.568 -10.026 623 HA SER 81 HA SER 81 -18.345 8.295 -8.779 624 HB2 SER 81 HB2 SER 81 -19.143 7.778 -11.016 625 HB3 SER 81 HB3 SER 81 -18.243 9.286 -11.038 626 HG SER 81 HG SER 81 -17.496 6.748 -11.933 627 H GLY 82 H GLY 82 -15.641 6.463 -10.138 628 HA2 GLY 82 HA2 GLY 82 -15.182 4.174 -10.071 629 HA3 GLY 82 HA3 GLY 82 -15.716 4.338 -8.409 630 H GLY 83 H GLY 83 -17.291 2.999 -7.812 631 HA2 GLY 83 HA2 GLY 83 -19.260 1.769 -7.864 632 HA3 GLY 83 HA3 GLY 83 -19.744 2.703 -9.267 633 H GLY 84 H GLY 84 -19.887 1.673 -11.164 634 HA2 GLY 84 HA2 GLY 84 -19.441 -1.130 -11.412 635 HA3 GLY 84 HA3 GLY 84 -19.755 -0.024 -12.738 636 H ALA 85 H ALA 85 -17.402 1.670 -12.042 637 HA ALA 85 HA ALA 85 -15.419 0.279 -13.598 638 HB1 ALA 85 HB1 ALA 85 -13.991 2.236 -13.101 639 HB2 ALA 85 HB2 ALA 85 -15.617 2.726 -13.634 640 HB3 ALA 85 HB3 ALA 85 -15.187 2.796 -11.909 641 H ASN 86 H ASN 86 -15.515 1.253 -10.154 642 HA ASN 86 HA ASN 86 -13.064 -0.121 -9.513 643 HB2 ASN 86 HB2 ASN 86 -15.340 0.956 -7.830 644 HB3 ASN 86 HB3 ASN 86 -13.948 0.144 -7.124 645 HD21 ASN 86 HD21 ASN 86 -13.350 3.797 -7.124 646 HD22 ASN 86 HD22 ASN 86 -14.559 2.737 -6.480 647 H GLY 87 H GLY 87 -16.330 -1.159 -9.918 648 HA2 GLY 87 HA2 GLY 87 -16.240 -3.534 -8.302 649 HA3 GLY 87 HA3 GLY 87 -17.337 -3.234 -9.637 650 H THR 88 H THR 88 -14.779 -2.659 -11.310 651 HA THR 88 HA THR 88 -14.385 -5.514 -12.053 652 HB THR 88 HB THR 88 -13.615 -4.640 -14.241 653 HG1 THR 88 HG1 THR 88 -14.028 -2.150 -12.934 654 HG21 THR 88 HG21 THR 88 -15.772 -3.731 -15.011 655 HG22 THR 88 HG22 THR 88 -16.018 -5.101 -13.902 656 HG23 THR 88 HG23 THR 88 -16.253 -3.436 -13.324 657 H SER 89 H SER 89 -12.642 -2.524 -11.291 658 HA SER 89 HA SER 89 -10.018 -3.695 -11.627 659 HB2 SER 89 HB2 SER 89 -10.341 -1.284 -11.748 660 HB3 SER 89 HB3 SER 89 -10.971 -1.247 -10.109 661 HG SER 89 HG SER 89 -8.899 -0.718 -9.956 662 H PHE 90 H PHE 90 -8.544 -4.371 -10.079 663 HA PHE 90 HA PHE 90 -9.403 -4.617 -7.284 664 HB2 PHE 90 HB2 PHE 90 -9.116 -7.065 -7.203 665 HB3 PHE 90 HB3 PHE 90 -10.441 -6.613 -8.263 666 HD1 PHE 90 HD1 PHE 90 -7.040 -7.977 -8.101 667 HD2 PHE 90 HD2 PHE 90 -10.312 -6.959 -10.653 668 HE1 PHE 90 HE1 PHE 90 -6.023 -9.296 -9.929 669 HE2 PHE 90 HE2 PHE 90 -9.299 -8.278 -12.481 670 HZ PHE 90 HZ PHE 90 -7.154 -9.446 -12.120 671 H SER 91 H SER 91 -7.222 -3.484 -9.090 672 HA SER 91 HA SER 91 -5.085 -4.000 -7.187 673 HB2 SER 91 HB2 SER 91 -4.916 -5.943 -8.782 674 HB3 SER 91 HB3 SER 91 -4.617 -4.796 -10.078 675 HG SER 91 HG SER 91 -2.795 -5.778 -8.885 676 H TYR 92 H TYR 92 -2.936 -3.130 -8.787 677 HA TYR 92 HA TYR 92 -3.380 -0.291 -8.831 678 HB2 TYR 92 HB2 TYR 92 -1.140 -2.037 -9.919 679 HB3 TYR 92 HB3 TYR 92 -1.116 -0.282 -10.015 680 HD1 TYR 92 HD1 TYR 92 -0.406 -3.144 -7.998 681 HD2 TYR 92 HD2 TYR 92 -1.306 1.048 -7.828 682 HE1 TYR 92 HE1 TYR 92 0.553 -3.028 -5.723 683 HE2 TYR 92 HE2 TYR 92 -0.347 1.162 -5.553 684 HH TYR 92 HH TYR 92 0.640 0.045 -3.915 685 H THR 93 H THR 93 -3.714 1.139 -10.448 686 HA THR 93 HA THR 93 -5.129 0.266 -12.765 687 HB THR 93 HB THR 93 -3.751 2.932 -12.223 688 HG1 THR 93 HG1 THR 93 -5.425 2.338 -10.733 689 HG21 THR 93 HG21 THR 93 -5.286 3.815 -13.935 690 HG22 THR 93 HG22 THR 93 -4.206 2.579 -14.625 691 HG23 THR 93 HG23 THR 93 -5.895 2.173 -14.244 692 H PHE 94 H PHE 94 -3.585 -1.419 -13.477 693 HA PHE 94 HA PHE 94 -1.481 -0.337 -15.245 694 HB2 PHE 94 HB2 PHE 94 -2.525 -3.182 -14.947 695 HB3 PHE 94 HB3 PHE 94 -1.114 -2.695 -15.871 696 HD1 PHE 94 HD1 PHE 94 -1.774 -4.467 -13.187 697 HD2 PHE 94 HD2 PHE 94 0.243 -0.814 -14.100 698 HE1 PHE 94 HE1 PHE 94 -0.364 -4.745 -11.176 699 HE2 PHE 94 HE2 PHE 94 1.657 -1.090 -12.091 700 HZ PHE 94 HZ PHE 94 1.352 -3.057 -10.628 701 H HIS 95 H HIS 95 -3.482 0.993 -16.129 702 HA HIS 95 HA HIS 95 -5.527 -0.522 -17.523 703 HB2 HIS 95 HB2 HIS 95 -5.970 1.680 -16.471 704 HB3 HIS 95 HB3 HIS 95 -4.881 2.447 -17.618 705 HD2 HIS 95 HD2 HIS 95 -6.183 3.316 -19.999 706 HE1 HIS 95 HE1 HIS 95 -9.679 0.973 -19.421 707 H GLY 96 H GLY 96 -2.733 1.442 -18.580 708 HA2 GLY 96 HA2 GLY 96 -3.609 1.100 -21.391 709 HA3 GLY 96 HA3 GLY 96 -2.395 2.223 -20.807 710 H ASP 97 H ASP 97 -1.930 0.662 -23.047 711 HA ASP 97 HA ASP 97 -0.130 -1.513 -22.218 712 HB2 ASP 97 HB2 ASP 97 -1.471 -1.612 -24.344 713 HB3 ASP 97 HB3 ASP 97 -0.529 -0.265 -24.966 714 HA PRO 98 HA PRO 98 3.059 1.490 -21.663 715 HB2 PRO 98 HB2 PRO 98 4.913 -0.195 -20.542 716 HB3 PRO 98 HB3 PRO 98 3.508 0.390 -19.642 717 HG2 PRO 98 HG2 PRO 98 3.864 -2.254 -21.121 718 HG3 PRO 98 HG3 PRO 98 3.270 -1.993 -19.478 719 HD2 PRO 98 HD2 PRO 98 1.546 -2.345 -21.552 720 HD3 PRO 98 HD3 PRO 98 1.165 -1.205 -20.200 721 H HIS 99 H HIS 99 2.981 -1.313 -23.646 722 HA HIS 99 HA HIS 99 5.788 -1.276 -24.470 723 HB2 HIS 99 HB2 HIS 99 3.400 -2.768 -25.619 724 HB3 HIS 99 HB3 HIS 99 5.078 -3.026 -26.073 725 HD2 HIS 99 HD2 HIS 99 6.620 -4.637 -24.190 726 HE1 HIS 99 HE1 HIS 99 3.305 -5.274 -21.609 727 H ALA 100 H ALA 100 2.687 -0.207 -25.824 728 HA ALA 100 HA ALA 100 3.610 0.527 -28.388 729 HB1 ALA 100 HB1 ALA 100 1.686 2.081 -28.428 730 HB2 ALA 100 HB2 ALA 100 1.232 0.485 -27.782 731 HB3 ALA 100 HB3 ALA 100 1.478 1.857 -26.676 732 H MET 101 H MET 101 3.307 2.592 -25.475 733 HA MET 101 HA MET 101 4.505 4.899 -26.559 734 HB2 MET 101 HB2 MET 101 4.497 3.804 -23.724 735 HB3 MET 101 HB3 MET 101 5.135 5.389 -24.138 736 HG2 MET 101 HG2 MET 101 2.872 5.971 -25.079 737 HG3 MET 101 HG3 MET 101 2.277 4.437 -24.440 738 HE1 MET 101 HE1 MET 101 2.487 4.872 -20.608 739 HE2 MET 101 HE2 MET 101 1.832 3.916 -21.962 740 HE3 MET 101 HE3 MET 101 3.591 4.000 -21.698 741 H PHE 102 H PHE 102 6.073 2.251 -24.730 742 HA PHE 102 HA PHE 102 8.693 3.353 -24.883 743 HB2 PHE 102 HB2 PHE 102 8.139 1.598 -23.279 744 HB3 PHE 102 HB3 PHE 102 7.759 0.473 -24.573 745 HD1 PHE 102 HD1 PHE 102 10.635 2.749 -23.787 746 HD2 PHE 102 HD2 PHE 102 9.318 -1.182 -24.818 747 HE1 PHE 102 HE1 PHE 102 12.980 1.967 -23.794 748 HE2 PHE 102 HE2 PHE 102 11.662 -1.968 -24.823 749 HZ PHE 102 HZ PHE 102 13.494 -0.392 -24.313 750 H ALA 103 H ALA 103 7.139 0.804 -26.863 751 HA ALA 103 HA ALA 103 9.332 0.339 -28.572 752 HB1 ALA 103 HB1 ALA 103 7.667 -0.583 -30.152 753 HB2 ALA 103 HB2 ALA 103 7.367 -1.128 -28.485 754 HB3 ALA 103 HB3 ALA 103 6.362 0.156 -29.195 755 H GLU 104 H GLU 104 6.778 2.783 -28.734 756 HA GLU 104 HA GLU 104 7.541 3.801 -31.317 757 HB2 GLU 104 HB2 GLU 104 5.320 4.232 -30.338 758 HB3 GLU 104 HB3 GLU 104 6.053 5.131 -29.017 759 HG2 GLU 104 HG2 GLU 104 5.146 6.678 -30.595 760 HG3 GLU 104 HG3 GLU 104 6.904 6.793 -30.643 761 H PHE 105 H PHE 105 8.358 4.729 -27.974 762 HA PHE 105 HA PHE 105 9.844 7.069 -28.787 763 HB2 PHE 105 HB2 PHE 105 9.821 5.501 -26.177 764 HB3 PHE 105 HB3 PHE 105 10.656 7.030 -26.404 765 HD1 PHE 105 HD1 PHE 105 8.274 7.973 -28.355 766 HD2 PHE 105 HD2 PHE 105 8.552 6.538 -24.341 767 HE1 PHE 105 HE1 PHE 105 6.203 9.192 -27.777 768 HE2 PHE 105 HE2 PHE 105 6.481 7.754 -23.759 769 HZ PHE 105 HZ PHE 105 5.306 9.084 -25.478 770 H PHE 106 H PHE 106 10.868 3.854 -27.542 771 HA PHE 106 HA PHE 106 13.651 4.634 -28.314 772 HB2 PHE 106 HB2 PHE 106 12.764 2.918 -25.960 773 HB3 PHE 106 HB3 PHE 106 14.423 3.315 -26.374 774 HD1 PHE 106 HD1 PHE 106 11.499 4.326 -24.591 775 HD2 PHE 106 HD2 PHE 106 15.106 5.781 -26.361 776 HE1 PHE 106 HE1 PHE 106 11.357 6.366 -23.202 777 HE2 PHE 106 HE2 PHE 106 14.968 7.820 -24.971 778 HZ PHE 106 HZ PHE 106 13.091 8.114 -23.393 779 H GLY 107 H GLY 107 11.174 2.164 -28.331 780 HA2 GLY 107 HA2 GLY 107 10.932 0.427 -29.855 781 HA3 GLY 107 HA3 GLY 107 12.343 1.033 -30.702 782 H GLY 108 H GLY 108 12.243 0.063 -27.288 783 HA2 GLY 108 HA2 GLY 108 13.141 -1.757 -26.164 784 HA3 GLY 108 HA3 GLY 108 13.032 -2.661 -27.663 785 H ARG 109 H ARG 109 14.817 0.361 -27.468 786 HA ARG 109 HA ARG 109 17.372 -1.110 -27.102 787 HB2 ARG 109 HB2 ARG 109 16.792 0.836 -29.361 788 HB3 ARG 109 HB3 ARG 109 18.396 0.261 -28.932 789 HG2 ARG 109 HG2 ARG 109 16.136 -1.570 -29.763 790 HG3 ARG 109 HG3 ARG 109 17.346 -0.893 -30.879 791 HD2 ARG 109 HD2 ARG 109 19.112 -1.926 -29.506 792 HD3 ARG 109 HD3 ARG 109 17.843 -2.690 -28.519 793 HE ARG 109 HE ARG 109 18.645 -3.387 -31.243 794 HH11 ARG 109 HH11 ARG 109 16.278 -3.751 -28.673 795 HH12 ARG 109 HH12 ARG 109 15.629 -5.244 -29.312 796 HH21 ARG 109 HH21 ARG 109 17.794 -5.326 -32.063 797 HH22 ARG 109 HH22 ARG 109 16.486 -6.136 -31.231 798 H ASN 110 H ASN 110 19.204 0.349 -26.654 799 HA ASN 110 HA ASN 110 18.299 2.346 -24.702 800 HB2 ASN 110 HB2 ASN 110 20.098 0.714 -24.168 801 HB3 ASN 110 HB3 ASN 110 21.104 1.430 -25.419 802 HD21 ASN 110 HD21 ASN 110 21.235 2.906 -21.768 803 HD22 ASN 110 HD22 ASN 110 20.655 1.337 -22.216 Start of MODEL 8 1 H1 MET 1 1H MET 1 5.986 -6.323 -0.789 2 H2 MET 1 2H MET 1 5.615 -5.270 -1.981 3 H3 MET 1 3H MET 1 7.174 -5.514 -1.564 4 HA MET 1 HA MET 1 5.111 -4.309 0.099 5 HB2 MET 1 HB2 MET 1 8.058 -4.856 0.621 6 HB3 MET 1 HB3 MET 1 7.057 -3.819 1.627 7 HG2 MET 1 HG2 MET 1 6.631 -6.782 1.151 8 HG3 MET 1 HG3 MET 1 7.298 -6.038 2.606 9 HE1 MET 1 HE1 MET 1 4.257 -4.191 4.157 10 HE2 MET 1 HE2 MET 1 5.936 -4.737 4.390 11 HE3 MET 1 HE3 MET 1 5.560 -3.518 3.147 12 H GLY 2 H GLY 2 7.418 -3.987 -2.403 13 HA2 GLY 2 HA2 GLY 2 8.188 -1.249 -2.016 14 HA3 GLY 2 HA3 GLY 2 8.271 -2.140 -3.524 15 H LYS 3 H LYS 3 7.077 0.574 -2.297 16 HA LYS 3 HA LYS 3 4.564 0.442 -3.912 17 HB2 LYS 3 HB2 LYS 3 5.181 2.036 -1.397 18 HB3 LYS 3 HB3 LYS 3 3.785 2.349 -2.418 19 HG2 LYS 3 HG2 LYS 3 2.950 0.071 -1.997 20 HG3 LYS 3 HG3 LYS 3 4.362 -0.260 -0.985 21 HD2 LYS 3 HD2 LYS 3 3.705 1.550 0.552 22 HD3 LYS 3 HD3 LYS 3 2.312 1.929 -0.474 23 HE2 LYS 3 HE2 LYS 3 1.353 -0.281 -0.053 24 HE3 LYS 3 HE3 LYS 3 2.778 -0.757 0.874 25 HZ1 LYS 3 HZ1 LYS 3 0.986 -0.083 2.295 26 HZ2 LYS 3 HZ2 LYS 3 2.249 0.965 2.460 27 HZ3 LYS 3 HZ3 LYS 3 0.918 1.408 1.594 28 H ASP 4 H ASP 4 7.211 2.588 -2.822 29 HA ASP 4 HA ASP 4 6.288 4.862 -4.241 30 HB2 ASP 4 HB2 ASP 4 7.971 4.897 -2.386 31 HB3 ASP 4 HB3 ASP 4 9.155 4.183 -3.472 32 H TYR 5 H TYR 5 6.101 5.204 -6.326 33 HA TYR 5 HA TYR 5 7.032 3.417 -8.305 34 HB2 TYR 5 HB2 TYR 5 6.175 6.329 -8.494 35 HB3 TYR 5 HB3 TYR 5 6.526 5.336 -9.902 36 HD1 TYR 5 HD1 TYR 5 5.179 3.254 -7.402 37 HD2 TYR 5 HD2 TYR 5 4.070 6.210 -10.307 38 HE1 TYR 5 HE1 TYR 5 2.859 2.404 -7.382 39 HE2 TYR 5 HE2 TYR 5 1.749 5.360 -10.286 40 HH TYR 5 HH TYR 5 0.452 3.567 -9.662 41 H TYR 6 H TYR 6 8.527 6.310 -6.946 42 HA TYR 6 HA TYR 6 10.486 6.529 -9.080 43 HB2 TYR 6 HB2 TYR 6 10.501 7.821 -6.323 44 HB3 TYR 6 HB3 TYR 6 11.463 8.311 -7.711 45 HD1 TYR 6 HD1 TYR 6 8.716 9.170 -5.840 46 HD2 TYR 6 HD2 TYR 6 9.878 8.646 -9.937 47 HE1 TYR 6 HE1 TYR 6 6.913 10.705 -6.547 48 HE2 TYR 6 HE2 TYR 6 8.075 10.181 -10.644 49 HH TYR 6 HH TYR 6 6.472 11.569 -9.976 50 H GLN 7 H GLN 7 10.410 5.121 -5.842 51 HA GLN 7 HA GLN 7 13.231 4.454 -5.826 52 HB2 GLN 7 HB2 GLN 7 10.875 3.418 -4.203 53 HB3 GLN 7 HB3 GLN 7 12.538 2.918 -3.931 54 HG2 GLN 7 HG2 GLN 7 13.162 5.249 -3.448 55 HG3 GLN 7 HG3 GLN 7 11.461 5.735 -3.691 56 HE21 GLN 7 HE21 GLN 7 10.684 5.204 -0.366 57 HE22 GLN 7 HE22 GLN 7 10.485 6.117 -1.824 58 H THR 8 H THR 8 10.463 3.147 -7.367 59 HA THR 8 HA THR 8 11.815 0.541 -7.803 60 HB THR 8 HB THR 8 9.705 -0.111 -8.951 61 HG1 THR 8 HG1 THR 8 9.346 2.504 -9.085 62 HG21 THR 8 HG21 THR 8 8.256 -0.092 -6.959 63 HG22 THR 8 HG22 THR 8 9.939 -0.467 -6.518 64 HG23 THR 8 HG23 THR 8 9.281 1.159 -6.220 65 H LEU 9 H LEU 9 10.992 3.540 -9.425 66 HA LEU 9 HA LEU 9 11.836 2.591 -12.048 67 HB2 LEU 9 HB2 LEU 9 10.217 4.428 -11.800 68 HB3 LEU 9 HB3 LEU 9 11.431 5.402 -10.965 69 HG LEU 9 HG LEU 9 12.792 5.463 -13.035 70 HD11 LEU 9 HD11 LEU 9 11.820 4.643 -15.135 71 HD12 LEU 9 HD12 LEU 9 12.087 3.322 -13.973 72 HD13 LEU 9 HD13 LEU 9 10.447 3.961 -14.232 73 HD21 LEU 9 HD21 LEU 9 11.264 6.942 -14.295 74 HD22 LEU 9 HD22 LEU 9 9.882 6.294 -13.381 75 HD23 LEU 9 HD23 LEU 9 11.140 7.235 -12.543 76 H GLY 10 H GLY 10 13.232 4.770 -9.573 77 HA2 GLY 10 HA2 GLY 10 15.608 4.235 -8.971 78 HA3 GLY 10 HA3 GLY 10 15.931 4.085 -10.688 79 H LEU 11 H LEU 11 13.773 6.548 -9.399 80 HA LEU 11 HA LEU 11 15.894 8.602 -9.841 81 HB2 LEU 11 HB2 LEU 11 12.995 8.693 -10.741 82 HB3 LEU 11 HB3 LEU 11 14.078 10.089 -10.746 83 HG LEU 11 HG LEU 11 14.492 7.551 -12.368 84 HD11 LEU 11 HD11 LEU 11 13.867 8.959 -14.279 85 HD12 LEU 11 HD12 LEU 11 12.538 8.816 -13.105 86 HD13 LEU 11 HD13 LEU 11 13.510 10.305 -13.171 87 HD21 LEU 11 HD21 LEU 11 16.245 8.895 -13.477 88 HD22 LEU 11 HD22 LEU 11 15.922 10.241 -12.358 89 HD23 LEU 11 HD23 LEU 11 16.584 8.709 -11.740 90 H ALA 12 H ALA 12 15.355 10.726 -8.822 91 HA ALA 12 HA ALA 12 14.037 10.430 -6.233 92 HB1 ALA 12 HB1 ALA 12 14.537 12.839 -5.979 93 HB2 ALA 12 HB2 ALA 12 15.976 11.916 -6.471 94 HB3 ALA 12 HB3 ALA 12 15.095 12.893 -7.667 95 H ARG 13 H ARG 13 12.278 11.805 -5.518 96 HA ARG 13 HA ARG 13 10.029 11.535 -7.275 97 HB2 ARG 13 HB2 ARG 13 8.747 12.573 -5.519 98 HB3 ARG 13 HB3 ARG 13 9.902 11.472 -4.784 99 HG2 ARG 13 HG2 ARG 13 11.373 13.409 -4.264 100 HG3 ARG 13 HG3 ARG 13 10.116 14.488 -4.917 101 HD2 ARG 13 HD2 ARG 13 8.538 13.616 -3.274 102 HD3 ARG 13 HD3 ARG 13 9.822 12.581 -2.607 103 HE ARG 13 HE ARG 13 9.503 15.462 -2.276 104 HH11 ARG 13 HH11 ARG 13 11.647 12.692 -2.003 105 HH12 ARG 13 HH12 ARG 13 12.706 13.467 -0.846 106 HH21 ARG 13 HH21 ARG 13 10.885 16.457 -0.773 107 HH22 ARG 13 HH22 ARG 13 12.276 15.598 -0.150 108 H GLY 14 H GLY 14 12.463 13.885 -7.095 109 HA2 GLY 14 HA2 GLY 14 10.684 15.985 -8.276 110 HA3 GLY 14 HA3 GLY 14 12.175 16.311 -7.413 111 H ALA 15 H ALA 15 12.112 13.576 -9.555 112 HA ALA 15 HA ALA 15 14.270 14.617 -11.131 113 HB1 ALA 15 HB1 ALA 15 13.954 12.580 -12.499 114 HB2 ALA 15 HB2 ALA 15 13.962 12.210 -10.758 115 HB3 ALA 15 HB3 ALA 15 12.425 12.256 -11.650 116 H SER 16 H SER 16 14.122 14.460 -13.625 117 HA SER 16 HA SER 16 11.965 16.385 -14.343 118 HB2 SER 16 HB2 SER 16 13.440 17.183 -16.067 119 HB3 SER 16 HB3 SER 16 14.344 17.112 -14.561 120 HG SER 16 HG SER 16 15.584 16.200 -16.066 121 H ASP 17 H ASP 17 11.114 16.318 -16.541 122 HA ASP 17 HA ASP 17 10.006 13.802 -17.181 123 HB2 ASP 17 HB2 ASP 17 10.374 16.308 -18.861 124 HB3 ASP 17 HB3 ASP 17 9.483 14.903 -19.426 125 H GLU 18 H GLU 18 12.878 15.444 -18.476 126 HA GLU 18 HA GLU 18 13.411 13.565 -20.559 127 HB2 GLU 18 HB2 GLU 18 14.457 15.811 -20.426 128 HB3 GLU 18 HB3 GLU 18 15.348 15.318 -18.993 129 HG2 GLU 18 HG2 GLU 18 16.560 13.640 -20.291 130 HG3 GLU 18 HG3 GLU 18 15.629 14.055 -21.729 131 H GLU 19 H GLU 19 14.578 13.771 -17.192 132 HA GLU 19 HA GLU 19 16.250 11.438 -17.389 133 HB2 GLU 19 HB2 GLU 19 15.047 12.920 -15.023 134 HB3 GLU 19 HB3 GLU 19 16.100 11.526 -14.834 135 HG2 GLU 19 HG2 GLU 19 16.833 14.127 -16.195 136 HG3 GLU 19 HG3 GLU 19 17.301 13.637 -14.568 137 H ILE 20 H ILE 20 12.875 11.970 -16.473 138 HA ILE 20 HA ILE 20 12.323 9.334 -15.545 139 HB ILE 20 HB ILE 20 10.573 11.458 -16.834 140 HG12 ILE 20 HG12 ILE 20 10.592 10.418 -13.998 141 HG13 ILE 20 HG13 ILE 20 11.573 11.775 -14.526 142 HG21 ILE 20 HG21 ILE 20 8.639 10.093 -16.160 143 HG22 ILE 20 HG22 ILE 20 9.634 9.242 -17.364 144 HG23 ILE 20 HG23 ILE 20 9.733 8.788 -15.646 145 HD11 ILE 20 HD11 ILE 20 9.512 12.536 -13.486 146 HD12 ILE 20 HD12 ILE 20 9.550 12.991 -15.207 147 HD13 ILE 20 HD13 ILE 20 8.555 11.617 -14.670 148 H LYS 21 H LYS 21 12.326 10.757 -18.797 149 HA LYS 21 HA LYS 21 11.277 8.418 -20.107 150 HB2 LYS 21 HB2 LYS 21 12.878 10.801 -21.104 151 HB3 LYS 21 HB3 LYS 21 12.330 9.514 -22.171 152 HG2 LYS 21 HG2 LYS 21 9.995 10.005 -21.608 153 HG3 LYS 21 HG3 LYS 21 10.518 11.259 -20.475 154 HD2 LYS 21 HD2 LYS 21 11.595 12.488 -22.342 155 HD3 LYS 21 HD3 LYS 21 11.044 11.241 -23.470 156 HE2 LYS 21 HE2 LYS 21 8.697 11.749 -22.901 157 HE3 LYS 21 HE3 LYS 21 9.233 12.978 -21.751 158 HZ1 LYS 21 HZ1 LYS 21 8.615 13.938 -23.845 159 HZ2 LYS 21 HZ2 LYS 21 10.226 14.172 -23.580 160 HZ3 LYS 21 HZ3 LYS 21 9.725 13.026 -24.655 161 H ARG 22 H ARG 22 14.588 9.627 -19.566 162 HA ARG 22 HA ARG 22 15.902 7.461 -20.889 163 HB2 ARG 22 HB2 ARG 22 17.013 9.593 -20.292 164 HB3 ARG 22 HB3 ARG 22 16.880 9.188 -18.588 165 HG2 ARG 22 HG2 ARG 22 18.338 7.229 -18.941 166 HG3 ARG 22 HG3 ARG 22 18.489 7.672 -20.658 167 HD2 ARG 22 HD2 ARG 22 20.396 8.481 -19.525 168 HD3 ARG 22 HD3 ARG 22 19.369 9.879 -19.919 169 HE ARG 22 HE ARG 22 19.029 10.255 -17.677 170 HH11 ARG 22 HH11 ARG 22 20.497 7.095 -18.117 171 HH12 ARG 22 HH12 ARG 22 20.814 6.865 -16.412 172 HH21 ARG 22 HH21 ARG 22 19.446 9.947 -15.467 173 HH22 ARG 22 HH22 ARG 22 20.220 8.480 -14.911 174 H ALA 23 H ALA 23 15.383 8.050 -17.387 175 HA ALA 23 HA ALA 23 16.339 5.597 -16.443 176 HB1 ALA 23 HB1 ALA 23 14.870 5.963 -14.485 177 HB2 ALA 23 HB2 ALA 23 15.710 7.456 -14.969 178 HB3 ALA 23 HB3 ALA 23 13.997 7.224 -15.387 179 H TYR 24 H TYR 24 13.082 6.395 -17.635 180 HA TYR 24 HA TYR 24 11.929 3.837 -17.104 181 HB2 TYR 24 HB2 TYR 24 10.517 5.758 -17.584 182 HB3 TYR 24 HB3 TYR 24 11.248 5.964 -19.170 183 HD1 TYR 24 HD1 TYR 24 9.483 3.318 -17.180 184 HD2 TYR 24 HD2 TYR 24 10.111 5.167 -21.001 185 HE1 TYR 24 HE1 TYR 24 7.750 1.861 -18.170 186 HE2 TYR 24 HE2 TYR 24 8.377 3.710 -21.991 187 HH TYR 24 HH TYR 24 6.627 2.319 -21.472 188 H ARG 25 H ARG 25 13.619 5.132 -19.953 189 HA ARG 25 HA ARG 25 13.239 2.937 -21.681 190 HB2 ARG 25 HB2 ARG 25 14.240 5.053 -22.409 191 HB3 ARG 25 HB3 ARG 25 15.651 4.764 -21.401 192 HG2 ARG 25 HG2 ARG 25 16.044 2.659 -22.789 193 HG3 ARG 25 HG3 ARG 25 14.817 3.305 -23.906 194 HD2 ARG 25 HD2 ARG 25 16.996 3.918 -24.662 195 HD3 ARG 25 HD3 ARG 25 16.140 5.370 -24.091 196 HE ARG 25 HE ARG 25 17.635 4.343 -21.941 197 HH11 ARG 25 HH11 ARG 25 18.165 5.797 -25.094 198 HH12 ARG 25 HH12 ARG 25 19.701 6.506 -24.648 199 HH21 ARG 25 HH21 ARG 25 19.630 5.267 -21.374 200 HH22 ARG 25 HH22 ARG 25 20.531 6.206 -22.543 201 H ARG 26 H ARG 26 15.838 3.522 -19.294 202 HA ARG 26 HA ARG 26 17.313 1.164 -19.730 203 HB2 ARG 26 HB2 ARG 26 18.077 2.994 -18.277 204 HB3 ARG 26 HB3 ARG 26 16.805 2.634 -17.120 205 HG2 ARG 26 HG2 ARG 26 17.812 0.447 -16.663 206 HG3 ARG 26 HG3 ARG 26 19.089 0.785 -17.856 207 HD2 ARG 26 HD2 ARG 26 19.831 2.675 -16.557 208 HD3 ARG 26 HD3 ARG 26 18.520 2.405 -15.385 209 HE ARG 26 HE ARG 26 20.060 0.034 -15.662 210 HH11 ARG 26 HH11 ARG 26 20.248 3.278 -14.325 211 HH12 ARG 26 HH12 ARG 26 21.383 2.830 -13.072 212 HH21 ARG 26 HH21 ARG 26 21.534 -0.534 -14.031 213 HH22 ARG 26 HH22 ARG 26 22.111 0.673 -12.904 214 H GLN 27 H GLN 27 14.470 1.724 -17.653 215 HA GLN 27 HA GLN 27 14.648 -0.927 -16.471 216 HB2 GLN 27 HB2 GLN 27 12.500 1.224 -16.361 217 HB3 GLN 27 HB3 GLN 27 12.406 -0.291 -15.476 218 HG2 GLN 27 HG2 GLN 27 14.544 1.826 -15.159 219 HG3 GLN 27 HG3 GLN 27 13.187 1.496 -14.045 220 HE21 GLN 27 HE21 GLN 27 16.599 -0.237 -13.281 221 HE22 GLN 27 HE22 GLN 27 16.325 1.292 -14.048 222 H ALA 28 H ALA 28 12.665 0.622 -18.973 223 HA ALA 28 HA ALA 28 10.999 -1.648 -19.480 224 HB1 ALA 28 HB1 ALA 28 10.544 -0.552 -21.650 225 HB2 ALA 28 HB2 ALA 28 10.444 0.599 -20.297 226 HB3 ALA 28 HB3 ALA 28 11.879 0.584 -21.348 227 H LEU 29 H LEU 29 14.141 -0.630 -20.802 228 HA LEU 29 HA LEU 29 14.486 -2.922 -22.493 229 HB2 LEU 29 HB2 LEU 29 16.483 -1.116 -21.088 230 HB3 LEU 29 HB3 LEU 29 16.940 -2.378 -22.237 231 HG LEU 29 HG LEU 29 15.172 0.003 -22.899 232 HD11 LEU 29 HD11 LEU 29 17.148 0.855 -24.080 233 HD12 LEU 29 HD12 LEU 29 17.445 0.694 -22.333 234 HD13 LEU 29 HD13 LEU 29 18.106 -0.512 -23.463 235 HD21 LEU 29 HD21 LEU 29 15.575 -0.731 -25.225 236 HD22 LEU 29 HD22 LEU 29 16.510 -2.122 -24.625 237 HD23 LEU 29 HD23 LEU 29 14.768 -2.007 -24.282 238 H ARG 30 H ARG 30 15.054 -2.315 -19.059 239 HA ARG 30 HA ARG 30 16.609 -4.629 -18.504 240 HB2 ARG 30 HB2 ARG 30 16.313 -2.742 -16.928 241 HB3 ARG 30 HB3 ARG 30 14.628 -3.188 -16.706 242 HG2 ARG 30 HG2 ARG 30 15.321 -5.341 -15.733 243 HG3 ARG 30 HG3 ARG 30 17.026 -4.875 -15.946 244 HD2 ARG 30 HD2 ARG 30 16.699 -2.972 -14.491 245 HD3 ARG 30 HD3 ARG 30 14.985 -3.405 -14.296 246 HE ARG 30 HE ARG 30 16.745 -5.574 -13.600 247 HH11 ARG 30 HH11 ARG 30 15.351 -2.568 -12.434 248 HH12 ARG 30 HH12 ARG 30 15.482 -3.016 -10.749 249 HH21 ARG 30 HH21 ARG 30 16.909 -6.144 -11.408 250 HH22 ARG 30 HH22 ARG 30 16.362 -5.039 -10.167 251 H TYR 31 H TYR 31 13.101 -4.123 -18.677 252 HA TYR 31 HA TYR 31 12.714 -6.997 -17.977 253 HB2 TYR 31 HB2 TYR 31 10.765 -4.659 -17.866 254 HB3 TYR 31 HB3 TYR 31 10.353 -6.327 -17.492 255 HD1 TYR 31 HD1 TYR 31 11.351 -3.249 -16.143 256 HD2 TYR 31 HD2 TYR 31 11.916 -7.476 -15.674 257 HE1 TYR 31 HE1 TYR 31 12.048 -2.896 -13.799 258 HE2 TYR 31 HE2 TYR 31 12.613 -7.123 -13.330 259 HH TYR 31 HH TYR 31 12.573 -3.891 -11.866 260 H HIS 32 H HIS 32 13.073 -5.155 -20.632 261 HA HIS 32 HA HIS 32 11.029 -5.776 -22.424 262 HB2 HIS 32 HB2 HIS 32 13.211 -4.519 -22.878 263 HB3 HIS 32 HB3 HIS 32 13.971 -6.090 -23.088 264 HD2 HIS 32 HD2 HIS 32 11.835 -3.587 -25.080 265 HE1 HIS 32 HE1 HIS 32 12.136 -7.142 -27.413 266 HE2 HIS 32 HE2 HIS 32 11.422 -4.694 -27.400 267 HA PRO 33 HA PRO 33 10.391 -10.017 -22.425 268 HB2 PRO 33 HB2 PRO 33 10.144 -9.584 -25.440 269 HB3 PRO 33 HB3 PRO 33 9.100 -10.533 -24.374 270 HG2 PRO 33 HG2 PRO 33 8.284 -8.106 -25.075 271 HG3 PRO 33 HG3 PRO 33 8.113 -8.599 -23.387 272 HD2 PRO 33 HD2 PRO 33 10.191 -6.790 -24.658 273 HD3 PRO 33 HD3 PRO 33 9.385 -6.649 -23.045 274 H ASP 34 H ASP 34 12.547 -8.613 -24.889 275 HA ASP 34 HA ASP 34 13.891 -11.185 -25.354 276 HB2 ASP 34 HB2 ASP 34 14.388 -8.381 -26.425 277 HB3 ASP 34 HB3 ASP 34 15.359 -9.779 -26.867 278 H LYS 35 H LYS 35 13.942 -9.344 -22.778 279 HA LYS 35 HA LYS 35 16.904 -9.530 -22.433 280 HB2 LYS 35 HB2 LYS 35 15.063 -7.304 -21.471 281 HB3 LYS 35 HB3 LYS 35 16.747 -7.479 -20.999 282 HG2 LYS 35 HG2 LYS 35 15.774 -7.064 -23.842 283 HG3 LYS 35 HG3 LYS 35 16.413 -5.804 -22.779 284 HD2 LYS 35 HD2 LYS 35 18.556 -7.080 -22.610 285 HD3 LYS 35 HD3 LYS 35 17.909 -8.264 -23.756 286 HE2 LYS 35 HE2 LYS 35 17.644 -6.467 -25.446 287 HE3 LYS 35 HE3 LYS 35 18.319 -5.302 -24.306 288 HZ1 LYS 35 HZ1 LYS 35 19.969 -6.100 -25.830 289 HZ2 LYS 35 HZ2 LYS 35 20.353 -6.575 -24.298 290 HZ3 LYS 35 HZ3 LYS 35 19.722 -7.663 -25.364 291 H ASN 36 H ASN 36 13.691 -9.715 -20.998 292 HA ASN 36 HA ASN 36 14.775 -11.371 -18.816 293 HB2 ASN 36 HB2 ASN 36 14.961 -9.028 -17.985 294 HB3 ASN 36 HB3 ASN 36 13.232 -8.821 -18.235 295 HD21 ASN 36 HD21 ASN 36 14.195 -9.877 -14.703 296 HD22 ASN 36 HD22 ASN 36 14.931 -8.752 -15.796 297 H LYS 37 H LYS 37 13.592 -13.114 -18.918 298 HA LYS 37 HA LYS 37 10.632 -12.754 -19.149 299 HB2 LYS 37 HB2 LYS 37 12.368 -15.056 -20.128 300 HB3 LYS 37 HB3 LYS 37 10.610 -15.083 -20.102 301 HG2 LYS 37 HG2 LYS 37 10.590 -13.116 -21.639 302 HG3 LYS 37 HG3 LYS 37 12.355 -13.205 -21.718 303 HD2 LYS 37 HD2 LYS 37 12.195 -15.519 -22.594 304 HD3 LYS 37 HD3 LYS 37 10.429 -15.413 -22.531 305 HE2 LYS 37 HE2 LYS 37 10.508 -13.492 -24.110 306 HE3 LYS 37 HE3 LYS 37 12.263 -13.656 -24.202 307 HZ1 LYS 37 HZ1 LYS 37 11.179 -14.750 -26.022 308 HZ2 LYS 37 HZ2 LYS 37 11.953 -15.865 -25.084 309 HZ3 LYS 37 HZ3 LYS 37 10.313 -15.712 -25.000 310 H GLU 38 H GLU 38 10.105 -12.681 -17.026 311 HA GLU 38 HA GLU 38 10.105 -15.282 -15.683 312 HB2 GLU 38 HB2 GLU 38 12.282 -14.349 -14.953 313 HB3 GLU 38 HB3 GLU 38 11.478 -12.892 -14.385 314 HG2 GLU 38 HG2 GLU 38 10.247 -14.190 -12.718 315 HG3 GLU 38 HG3 GLU 38 10.989 -15.676 -13.306 316 HA PRO 39 HA PRO 39 6.256 -13.527 -14.495 317 HB2 PRO 39 HB2 PRO 39 5.408 -15.546 -12.838 318 HB3 PRO 39 HB3 PRO 39 5.426 -15.715 -14.597 319 HG2 PRO 39 HG2 PRO 39 7.501 -16.647 -12.568 320 HG3 PRO 39 HG3 PRO 39 6.786 -17.561 -13.900 321 HD2 PRO 39 HD2 PRO 39 9.218 -16.366 -14.156 322 HD3 PRO 39 HD3 PRO 39 8.064 -16.457 -15.547 323 H GLY 40 H GLY 40 5.749 -12.097 -12.912 324 HA2 GLY 40 HA2 GLY 40 5.819 -11.099 -10.756 325 HA3 GLY 40 HA3 GLY 40 6.997 -12.290 -10.239 326 H ALA 41 H ALA 41 8.239 -11.523 -13.101 327 HA ALA 41 HA ALA 41 9.578 -9.034 -12.143 328 HB1 ALA 41 HB1 ALA 41 11.413 -9.621 -13.693 329 HB2 ALA 41 HB2 ALA 41 11.132 -10.902 -12.491 330 HB3 ALA 41 HB3 ALA 41 10.540 -11.099 -14.156 331 H GLU 42 H GLU 42 8.108 -10.607 -15.004 332 HA GLU 42 HA GLU 42 7.694 -8.222 -16.495 333 HB2 GLU 42 HB2 GLU 42 5.951 -10.695 -16.163 334 HB3 GLU 42 HB3 GLU 42 5.620 -9.416 -17.324 335 HG2 GLU 42 HG2 GLU 42 7.734 -9.853 -18.459 336 HG3 GLU 42 HG3 GLU 42 8.149 -11.076 -17.259 337 H GLU 43 H GLU 43 6.219 -9.421 -13.548 338 HA GLU 43 HA GLU 43 4.128 -7.415 -13.476 339 HB2 GLU 43 HB2 GLU 43 5.416 -9.056 -11.258 340 HB3 GLU 43 HB3 GLU 43 4.003 -8.034 -11.048 341 HG2 GLU 43 HG2 GLU 43 4.179 -10.430 -12.889 342 HG3 GLU 43 HG3 GLU 43 3.436 -10.409 -11.291 343 H LYS 44 H LYS 44 7.424 -7.664 -12.134 344 HA LYS 44 HA LYS 44 7.552 -5.077 -10.979 345 HB2 LYS 44 HB2 LYS 44 9.658 -6.803 -12.327 346 HB3 LYS 44 HB3 LYS 44 10.039 -5.257 -11.582 347 HG2 LYS 44 HG2 LYS 44 9.259 -6.082 -9.408 348 HG3 LYS 44 HG3 LYS 44 8.805 -7.625 -10.144 349 HD2 LYS 44 HD2 LYS 44 11.168 -7.999 -10.803 350 HD3 LYS 44 HD3 LYS 44 11.615 -6.465 -10.043 351 HE2 LYS 44 HE2 LYS 44 10.831 -7.311 -7.859 352 HE3 LYS 44 HE3 LYS 44 10.363 -8.838 -8.611 353 HZ1 LYS 44 HZ1 LYS 44 12.500 -8.989 -7.563 354 HZ2 LYS 44 HZ2 LYS 44 12.665 -9.190 -9.192 355 HZ3 LYS 44 HZ3 LYS 44 13.101 -7.764 -8.488 356 H PHE 45 H PHE 45 8.061 -6.146 -14.338 357 HA PHE 45 HA PHE 45 8.656 -3.603 -15.446 358 HB2 PHE 45 HB2 PHE 45 8.775 -5.845 -16.623 359 HB3 PHE 45 HB3 PHE 45 7.023 -5.811 -16.755 360 HD1 PHE 45 HD1 PHE 45 8.551 -2.567 -16.971 361 HD2 PHE 45 HD2 PHE 45 7.520 -6.046 -19.226 362 HE1 PHE 45 HE1 PHE 45 8.733 -1.263 -19.064 363 HE2 PHE 45 HE2 PHE 45 7.705 -4.746 -21.320 364 HZ PHE 45 HZ PHE 45 8.310 -2.353 -21.238 365 H LYS 46 H LYS 46 5.538 -5.181 -14.763 366 HA LYS 46 HA LYS 46 3.890 -3.101 -15.816 367 HB2 LYS 46 HB2 LYS 46 3.430 -5.182 -13.652 368 HB3 LYS 46 HB3 LYS 46 2.182 -4.051 -14.154 369 HG2 LYS 46 HG2 LYS 46 2.251 -4.934 -16.435 370 HG3 LYS 46 HG3 LYS 46 3.568 -6.028 -15.988 371 HD2 LYS 46 HD2 LYS 46 2.079 -7.106 -14.312 372 HD3 LYS 46 HD3 LYS 46 0.763 -6.036 -14.814 373 HE2 LYS 46 HE2 LYS 46 0.815 -6.966 -17.074 374 HE3 LYS 46 HE3 LYS 46 2.213 -7.964 -16.664 375 HZ1 LYS 46 HZ1 LYS 46 0.181 -9.209 -16.564 376 HZ2 LYS 46 HZ2 LYS 46 0.849 -9.114 -15.058 377 HZ3 LYS 46 HZ3 LYS 46 -0.457 -8.182 -15.443 378 H GLU 47 H GLU 47 5.323 -3.604 -12.600 379 HA GLU 47 HA GLU 47 4.229 -1.296 -11.354 380 HB2 GLU 47 HB2 GLU 47 6.877 -2.737 -10.956 381 HB3 GLU 47 HB3 GLU 47 6.341 -1.413 -9.932 382 HG2 GLU 47 HG2 GLU 47 4.412 -2.683 -9.205 383 HG3 GLU 47 HG3 GLU 47 4.795 -3.981 -10.333 384 H ILE 48 H ILE 48 7.122 -1.720 -13.383 385 HA ILE 48 HA ILE 48 7.926 1.035 -13.284 386 HB ILE 48 HB ILE 48 8.426 -1.141 -15.356 387 HG12 ILE 48 HG12 ILE 48 9.369 -1.589 -13.149 388 HG13 ILE 48 HG13 ILE 48 10.622 -1.291 -14.344 389 HG21 ILE 48 HG21 ILE 48 10.201 0.332 -16.214 390 HG22 ILE 48 HG22 ILE 48 8.602 1.089 -16.391 391 HG23 ILE 48 HG23 ILE 48 9.693 1.610 -15.085 392 HD11 ILE 48 HD11 ILE 48 11.149 -0.209 -12.231 393 HD12 ILE 48 HD12 ILE 48 10.890 1.004 -13.508 394 HD13 ILE 48 HD13 ILE 48 9.623 0.701 -12.295 395 H ALA 49 H ALA 49 5.962 -0.821 -15.628 396 HA ALA 49 HA ALA 49 5.205 1.243 -17.341 397 HB1 ALA 49 HB1 ALA 49 3.101 -0.014 -17.680 398 HB2 ALA 49 HB2 ALA 49 4.517 -1.091 -17.655 399 HB3 ALA 49 HB3 ALA 49 3.456 -0.982 -16.231 400 H GLU 50 H GLU 50 3.674 0.359 -14.232 401 HA GLU 50 HA GLU 50 1.690 2.397 -14.303 402 HB2 GLU 50 HB2 GLU 50 1.717 0.401 -12.762 403 HB3 GLU 50 HB3 GLU 50 3.000 1.173 -11.841 404 HG2 GLU 50 HG2 GLU 50 1.058 1.636 -10.645 405 HG3 GLU 50 HG3 GLU 50 1.399 3.130 -11.514 406 H ALA 51 H ALA 51 4.895 2.345 -12.699 407 HA ALA 51 HA ALA 51 5.053 4.932 -11.753 408 HB1 ALA 51 HB1 ALA 51 7.471 4.846 -12.270 409 HB2 ALA 51 HB2 ALA 51 6.890 3.313 -11.576 410 HB3 ALA 51 HB3 ALA 51 7.187 3.442 -13.325 411 H TYR 52 H TYR 52 6.039 4.009 -15.076 412 HA TYR 52 HA TYR 52 6.273 6.730 -15.945 413 HB2 TYR 52 HB2 TYR 52 7.309 4.612 -16.993 414 HB3 TYR 52 HB3 TYR 52 5.744 4.344 -17.747 415 HD1 TYR 52 HD1 TYR 52 8.076 7.248 -17.245 416 HD2 TYR 52 HD2 TYR 52 5.585 5.013 -19.931 417 HE1 TYR 52 HE1 TYR 52 8.708 8.763 -19.094 418 HE2 TYR 52 HE2 TYR 52 6.216 6.528 -21.778 419 HH TYR 52 HH TYR 52 7.448 8.266 -22.393 420 H ASP 53 H ASP 53 3.655 4.332 -16.248 421 HA ASP 53 HA ASP 53 1.729 5.644 -17.669 422 HB2 ASP 53 HB2 ASP 53 1.469 3.501 -16.319 423 HB3 ASP 53 HB3 ASP 53 1.191 4.503 -14.901 424 H VAL 54 H VAL 54 2.366 6.297 -14.197 425 HA VAL 54 HA VAL 54 0.797 8.667 -14.054 426 HB VAL 54 HB VAL 54 3.253 7.755 -12.506 427 HG11 VAL 54 HG11 VAL 54 2.733 9.503 -10.875 428 HG12 VAL 54 HG12 VAL 54 3.183 10.180 -12.458 429 HG13 VAL 54 HG13 VAL 54 1.474 10.140 -11.959 430 HG21 VAL 54 HG21 VAL 54 1.574 7.313 -10.742 431 HG22 VAL 54 HG22 VAL 54 0.285 7.879 -11.830 432 HG23 VAL 54 HG23 VAL 54 1.202 6.406 -12.227 433 H LEU 55 H LEU 55 4.187 8.117 -14.999 434 HA LEU 55 HA LEU 55 4.686 11.022 -14.948 435 HB2 LEU 55 HB2 LEU 55 6.576 8.737 -15.606 436 HB3 LEU 55 HB3 LEU 55 7.025 10.416 -15.293 437 HG LEU 55 HG LEU 55 5.811 8.508 -13.262 438 HD11 LEU 55 HD11 LEU 55 8.051 8.557 -12.258 439 HD12 LEU 55 HD12 LEU 55 8.084 7.890 -13.907 440 HD13 LEU 55 HD13 LEU 55 8.635 9.555 -13.609 441 HD21 LEU 55 HD21 LEU 55 6.356 10.310 -11.660 442 HD22 LEU 55 HD22 LEU 55 6.917 11.335 -13.003 443 HD23 LEU 55 HD23 LEU 55 5.202 10.876 -12.890 444 H SER 56 H SER 56 3.315 9.020 -17.121 445 HA SER 56 HA SER 56 4.287 10.757 -19.350 446 HB2 SER 56 HB2 SER 56 3.809 8.928 -20.901 447 HB3 SER 56 HB3 SER 56 4.996 8.435 -19.703 448 HG SER 56 HG SER 56 3.288 7.495 -18.534 449 H ASP 57 H ASP 57 1.595 9.235 -17.687 450 HA ASP 57 HA ASP 57 -0.293 10.518 -19.606 451 HB2 ASP 57 HB2 ASP 57 -0.430 8.012 -19.247 452 HB3 ASP 57 HB3 ASP 57 -0.879 8.327 -17.576 453 HA PRO 58 HA PRO 58 -0.706 13.532 -16.457 454 HB2 PRO 58 HB2 PRO 58 -3.080 14.270 -18.216 455 HB3 PRO 58 HB3 PRO 58 -1.836 15.324 -17.531 456 HG2 PRO 58 HG2 PRO 58 -1.639 14.650 -20.096 457 HG3 PRO 58 HG3 PRO 58 -0.183 14.630 -19.098 458 HD2 PRO 58 HD2 PRO 58 -1.936 12.306 -19.982 459 HD3 PRO 58 HD3 PRO 58 -0.131 12.405 -19.892 460 H ARG 59 H ARG 59 -3.072 11.210 -17.473 461 HA ARG 59 HA ARG 59 -5.251 12.132 -15.803 462 HB2 ARG 59 HB2 ARG 59 -4.757 9.512 -17.252 463 HB3 ARG 59 HB3 ARG 59 -6.231 9.870 -16.367 464 HG2 ARG 59 HG2 ARG 59 -6.693 11.757 -17.866 465 HG3 ARG 59 HG3 ARG 59 -5.192 11.411 -18.758 466 HD2 ARG 59 HD2 ARG 59 -7.481 9.491 -18.411 467 HD3 ARG 59 HD3 ARG 59 -7.202 10.515 -19.838 468 HE ARG 59 HE ARG 59 -4.841 9.091 -19.390 469 HH11 ARG 59 HH11 ARG 59 -8.194 8.397 -20.174 470 HH12 ARG 59 HH12 ARG 59 -7.816 6.939 -21.062 471 HH21 ARG 59 HH21 ARG 59 -4.362 7.195 -20.546 472 HH22 ARG 59 HH22 ARG 59 -5.648 6.257 -21.273 473 H LYS 60 H LYS 60 -2.535 9.958 -15.393 474 HA LYS 60 HA LYS 60 -3.518 9.354 -12.640 475 HB2 LYS 60 HB2 LYS 60 -1.229 8.051 -14.168 476 HB3 LYS 60 HB3 LYS 60 -1.851 7.560 -12.598 477 HG2 LYS 60 HG2 LYS 60 -3.313 7.409 -15.250 478 HG3 LYS 60 HG3 LYS 60 -2.664 6.060 -14.307 479 HD2 LYS 60 HD2 LYS 60 -4.210 6.707 -12.429 480 HD3 LYS 60 HD3 LYS 60 -4.924 7.924 -13.499 481 HE2 LYS 60 HE2 LYS 60 -5.514 6.125 -15.115 482 HE3 LYS 60 HE3 LYS 60 -4.853 4.925 -14.001 483 HZ1 LYS 60 HZ1 LYS 60 -7.219 5.125 -13.780 484 HZ2 LYS 60 HZ2 LYS 60 -6.488 5.611 -12.384 485 HZ3 LYS 60 HZ3 LYS 60 -7.106 6.731 -13.425 486 H ARG 61 H ARG 61 -1.390 11.325 -14.407 487 HA ARG 61 HA ARG 61 0.675 11.747 -12.498 488 HB2 ARG 61 HB2 ARG 61 0.709 12.656 -14.800 489 HB3 ARG 61 HB3 ARG 61 -0.610 13.743 -14.396 490 HG2 ARG 61 HG2 ARG 61 0.798 14.919 -12.793 491 HG3 ARG 61 HG3 ARG 61 2.130 13.780 -13.105 492 HD2 ARG 61 HD2 ARG 61 2.211 14.491 -15.415 493 HD3 ARG 61 HD3 ARG 61 0.854 15.604 -15.131 494 HE ARG 61 HE ARG 61 2.836 16.222 -13.254 495 HH11 ARG 61 HH11 ARG 61 2.426 16.248 -16.743 496 HH12 ARG 61 HH12 ARG 61 3.534 17.579 -16.989 497 HH21 ARG 61 HH21 ARG 61 4.273 17.949 -13.586 498 HH22 ARG 61 HH22 ARG 61 4.581 18.542 -15.203 499 H GLU 62 H GLU 62 -2.309 13.673 -13.023 500 HA GLU 62 HA GLU 62 -2.064 15.329 -10.772 501 HB2 GLU 62 HB2 GLU 62 -3.749 15.653 -12.558 502 HB3 GLU 62 HB3 GLU 62 -4.611 14.219 -12.019 503 HG2 GLU 62 HG2 GLU 62 -5.092 15.292 -9.871 504 HG3 GLU 62 HG3 GLU 62 -4.190 16.721 -10.371 505 H ILE 63 H ILE 63 -3.328 12.033 -11.017 506 HA ILE 63 HA ILE 63 -4.513 12.037 -8.383 507 HB ILE 63 HB ILE 63 -3.780 9.791 -10.301 508 HG12 ILE 63 HG12 ILE 63 -6.486 10.877 -9.497 509 HG13 ILE 63 HG13 ILE 63 -5.605 11.404 -10.923 510 HG21 ILE 63 HG21 ILE 63 -5.113 8.323 -8.841 511 HG22 ILE 63 HG22 ILE 63 -3.694 8.962 -7.981 512 HG23 ILE 63 HG23 ILE 63 -5.305 9.653 -7.673 513 HD11 ILE 63 HD11 ILE 63 -7.272 9.729 -11.492 514 HD12 ILE 63 HD12 ILE 63 -5.632 9.110 -11.804 515 HD13 ILE 63 HD13 ILE 63 -6.527 8.577 -10.361 516 H PHE 64 H PHE 64 -1.810 10.011 -9.581 517 HA PHE 64 HA PHE 64 -0.608 9.314 -7.215 518 HB2 PHE 64 HB2 PHE 64 0.250 8.655 -9.433 519 HB3 PHE 64 HB3 PHE 64 0.808 10.295 -9.725 520 HD1 PHE 64 HD1 PHE 64 1.495 7.136 -8.083 521 HD2 PHE 64 HD2 PHE 64 2.690 11.225 -8.402 522 HE1 PHE 64 HE1 PHE 64 3.665 6.583 -7.034 523 HE2 PHE 64 HE2 PHE 64 4.862 10.675 -7.357 524 HZ PHE 64 HZ PHE 64 5.348 8.352 -6.672 525 H ASP 65 H ASP 65 0.122 12.343 -8.991 526 HA ASP 65 HA ASP 65 1.943 13.386 -7.117 527 HB2 ASP 65 HB2 ASP 65 0.052 14.749 -9.064 528 HB3 ASP 65 HB3 ASP 65 1.183 15.657 -8.070 529 H ARG 66 H ARG 66 -1.602 13.644 -7.228 530 HA ARG 66 HA ARG 66 -1.612 15.648 -5.096 531 HB2 ARG 66 HB2 ARG 66 -3.254 15.696 -6.960 532 HB3 ARG 66 HB3 ARG 66 -3.915 14.164 -6.411 533 HG2 ARG 66 HG2 ARG 66 -4.722 15.154 -4.375 534 HG3 ARG 66 HG3 ARG 66 -3.881 16.683 -4.733 535 HD2 ARG 66 HD2 ARG 66 -5.265 16.996 -6.693 536 HD3 ARG 66 HD3 ARG 66 -6.092 15.455 -6.364 537 HE ARG 66 HE ARG 66 -6.288 17.051 -4.057 538 HH11 ARG 66 HH11 ARG 66 -7.408 17.044 -7.388 539 HH12 ARG 66 HH12 ARG 66 -8.873 17.931 -7.028 540 HH21 ARG 66 HH21 ARG 66 -8.193 18.201 -3.604 541 HH22 ARG 66 HH22 ARG 66 -9.318 18.585 -4.887 542 H TYR 67 H TYR 67 -1.844 12.197 -5.365 543 HA TYR 67 HA TYR 67 -2.705 12.049 -2.509 544 HB2 TYR 67 HB2 TYR 67 -3.606 10.224 -4.777 545 HB3 TYR 67 HB3 TYR 67 -4.002 10.009 -3.077 546 HD1 TYR 67 HD1 TYR 67 -5.015 11.442 -6.157 547 HD2 TYR 67 HD2 TYR 67 -5.224 11.995 -1.906 548 HE1 TYR 67 HE1 TYR 67 -7.010 12.874 -6.440 549 HE2 TYR 67 HE2 TYR 67 -7.218 13.427 -2.191 550 HH TYR 67 HH TYR 67 -8.698 14.258 -3.621 551 H GLY 68 H GLY 68 -1.402 10.019 -5.163 552 HA2 GLY 68 HA2 GLY 68 1.070 9.479 -4.768 553 HA3 GLY 68 HA3 GLY 68 0.565 8.930 -3.182 554 H GLU 69 H GLU 69 1.188 6.796 -3.462 555 HA GLU 69 HA GLU 69 0.313 5.277 -5.797 556 HB2 GLU 69 HB2 GLU 69 1.696 4.464 -3.211 557 HB3 GLU 69 HB3 GLU 69 1.315 3.337 -4.505 558 HG2 GLU 69 HG2 GLU 69 3.510 3.846 -4.944 559 HG3 GLU 69 HG3 GLU 69 2.664 4.961 -6.015 560 H GLU 70 H GLU 70 -0.545 5.424 -2.341 561 HA GLU 70 HA GLU 70 -2.374 3.195 -2.512 562 HB2 GLU 70 HB2 GLU 70 -2.008 5.376 -0.421 563 HB3 GLU 70 HB3 GLU 70 -3.117 4.025 -0.235 564 HG2 GLU 70 HG2 GLU 70 -1.246 2.447 -0.365 565 HG3 GLU 70 HG3 GLU 70 -0.123 3.785 -0.602 566 H GLY 71 H GLY 71 -2.617 6.609 -3.117 567 HA2 GLY 71 HA2 GLY 71 -5.558 6.631 -3.025 568 HA3 GLY 71 HA3 GLY 71 -4.514 7.963 -3.489 569 H LEU 72 H LEU 72 -3.329 5.360 -5.125 570 HA LEU 72 HA LEU 72 -5.074 5.889 -7.490 571 HB2 LEU 72 HB2 LEU 72 -2.778 6.591 -7.862 572 HB3 LEU 72 HB3 LEU 72 -2.166 5.027 -7.313 573 HG LEU 72 HG LEU 72 -3.089 3.924 -9.283 574 HD11 LEU 72 HD11 LEU 72 -4.205 5.220 -11.043 575 HD12 LEU 72 HD12 LEU 72 -5.114 5.269 -9.515 576 HD13 LEU 72 HD13 LEU 72 -4.141 6.672 -10.016 577 HD21 LEU 72 HD21 LEU 72 -1.702 5.043 -10.995 578 HD22 LEU 72 HD22 LEU 72 -1.601 6.493 -9.968 579 HD23 LEU 72 HD23 LEU 72 -0.853 4.969 -9.432 580 H LYS 73 H LYS 73 -3.812 3.481 -5.318 581 HA LYS 73 HA LYS 73 -4.974 1.289 -6.918 582 HB2 LYS 73 HB2 LYS 73 -2.879 0.900 -5.655 583 HB3 LYS 73 HB3 LYS 73 -3.703 1.287 -4.151 584 HG2 LYS 73 HG2 LYS 73 -5.151 -0.663 -4.396 585 HG3 LYS 73 HG3 LYS 73 -4.425 -1.031 -5.967 586 HD2 LYS 73 HD2 LYS 73 -2.220 -1.326 -4.876 587 HD3 LYS 73 HD3 LYS 73 -2.954 -0.968 -3.306 588 HE2 LYS 73 HE2 LYS 73 -4.457 -2.926 -3.575 589 HE3 LYS 73 HE3 LYS 73 -3.692 -3.291 -5.124 590 HZ1 LYS 73 HZ1 LYS 73 -2.771 -4.600 -3.355 591 HZ2 LYS 73 HZ2 LYS 73 -1.615 -3.593 -3.962 592 HZ3 LYS 73 HZ3 LYS 73 -2.329 -3.252 -2.515 593 H GLY 74 H GLY 74 -5.757 3.337 -4.186 594 HA2 GLY 74 HA2 GLY 74 -8.028 3.680 -3.464 595 HA3 GLY 74 HA3 GLY 74 -8.461 2.100 -4.089 596 H SER 75 H SER 75 -5.567 2.700 -2.158 597 HA SER 75 HA SER 75 -6.835 1.181 0.085 598 HB2 SER 75 HB2 SER 75 -4.616 0.236 0.552 599 HB3 SER 75 HB3 SER 75 -5.166 -0.184 -1.062 600 HG SER 75 HG SER 75 -3.134 1.470 -0.230 601 H GLY 76 H GLY 76 -6.264 4.171 -0.638 602 HA2 GLY 76 HA2 GLY 76 -4.638 4.841 1.790 603 HA3 GLY 76 HA3 GLY 76 -4.683 5.814 0.330 604 HA PRO 77 HA PRO 77 -7.422 8.489 2.327 605 HB2 PRO 77 HB2 PRO 77 -8.680 8.684 -0.450 606 HB3 PRO 77 HB3 PRO 77 -8.272 9.990 0.671 607 HG2 PRO 77 HG2 PRO 77 -6.607 9.511 -1.341 608 HG3 PRO 77 HG3 PRO 77 -5.929 9.796 0.266 609 HD2 PRO 77 HD2 PRO 77 -6.333 7.173 -1.209 610 HD3 PRO 77 HD3 PRO 77 -4.956 7.694 -0.158 611 H SER 78 H SER 78 -9.171 6.694 -0.272 612 HA SER 78 HA SER 78 -11.260 5.988 1.733 613 HB2 SER 78 HB2 SER 78 -12.649 5.403 -0.195 614 HB3 SER 78 HB3 SER 78 -12.066 7.054 -0.324 615 HG SER 78 HG SER 78 -11.655 4.944 -1.917 616 H GLY 79 H GLY 79 -8.829 4.694 2.026 617 HA2 GLY 79 HA2 GLY 79 -8.236 2.351 0.755 618 HA3 GLY 79 HA3 GLY 79 -8.194 2.494 2.503 619 H GLY 80 H GLY 80 -9.500 0.801 -0.049 620 HA2 GLY 80 HA2 GLY 80 -10.650 -1.287 0.806 621 HA3 GLY 80 HA3 GLY 80 -11.739 -0.216 1.670 622 H SER 81 H SER 81 -11.767 1.767 -0.550 623 HA SER 81 HA SER 81 -14.020 0.599 -1.967 624 HB2 SER 81 HB2 SER 81 -14.395 2.760 -2.816 625 HB3 SER 81 HB3 SER 81 -13.746 3.030 -1.206 626 HG SER 81 HG SER 81 -12.700 3.573 -3.664 627 H GLY 82 H GLY 82 -10.637 0.815 -2.516 628 HA2 GLY 82 HA2 GLY 82 -9.297 0.356 -4.353 629 HA3 GLY 82 HA3 GLY 82 -10.592 -0.700 -4.886 630 H GLY 83 H GLY 83 -10.064 2.855 -4.610 631 HA2 GLY 83 HA2 GLY 83 -10.803 4.586 -5.965 632 HA3 GLY 83 HA3 GLY 83 -10.643 3.492 -7.327 633 H GLY 84 H GLY 84 -12.447 2.915 -8.368 634 HA2 GLY 84 HA2 GLY 84 -15.060 3.592 -7.099 635 HA3 GLY 84 HA3 GLY 84 -14.765 3.449 -8.821 636 H ALA 85 H ALA 85 -13.179 1.010 -7.063 637 HA ALA 85 HA ALA 85 -14.808 -1.047 -8.250 638 HB1 ALA 85 HB1 ALA 85 -13.358 -2.601 -6.984 639 HB2 ALA 85 HB2 ALA 85 -12.409 -1.366 -7.845 640 HB3 ALA 85 HB3 ALA 85 -12.673 -1.223 -6.091 641 H ASN 86 H ASN 86 -14.923 0.676 -5.252 642 HA ASN 86 HA ASN 86 -16.491 0.642 -3.567 643 HB2 ASN 86 HB2 ASN 86 -17.956 -1.140 -5.537 644 HB3 ASN 86 HB3 ASN 86 -18.643 -0.614 -4.007 645 HD21 ASN 86 HD21 ASN 86 -19.580 1.655 -6.869 646 HD22 ASN 86 HD22 ASN 86 -19.579 -0.067 -6.685 647 H GLY 87 H GLY 87 -17.285 -2.650 -4.563 648 HA2 GLY 87 HA2 GLY 87 -16.027 -3.604 -2.012 649 HA3 GLY 87 HA3 GLY 87 -17.603 -4.151 -2.554 650 H THR 88 H THR 88 -15.531 -3.618 -5.182 651 HA THR 88 HA THR 88 -14.962 -6.541 -5.358 652 HB THR 88 HB THR 88 -14.801 -6.223 -7.786 653 HG1 THR 88 HG1 THR 88 -15.473 -3.493 -7.285 654 HG21 THR 88 HG21 THR 88 -17.137 -5.594 -8.255 655 HG22 THR 88 HG22 THR 88 -17.035 -6.636 -6.816 656 HG23 THR 88 HG23 THR 88 -17.275 -4.884 -6.630 657 H SER 89 H SER 89 -12.990 -6.964 -6.864 658 HA SER 89 HA SER 89 -10.716 -5.939 -5.383 659 HB2 SER 89 HB2 SER 89 -9.410 -7.462 -6.717 660 HB3 SER 89 HB3 SER 89 -10.892 -8.274 -6.237 661 HG SER 89 HG SER 89 -10.156 -8.362 -8.502 662 H PHE 90 H PHE 90 -8.790 -5.024 -6.375 663 HA PHE 90 HA PHE 90 -8.911 -3.735 -8.942 664 HB2 PHE 90 HB2 PHE 90 -10.558 -2.326 -7.647 665 HB3 PHE 90 HB3 PHE 90 -9.259 -1.890 -6.547 666 HD1 PHE 90 HD1 PHE 90 -10.733 -1.354 -9.823 667 HD2 PHE 90 HD2 PHE 90 -7.358 -0.521 -7.338 668 HE1 PHE 90 HE1 PHE 90 -10.089 0.502 -11.323 669 HE2 PHE 90 HE2 PHE 90 -6.712 1.337 -8.835 670 HZ PHE 90 HZ PHE 90 -8.078 1.847 -10.829 671 H SER 91 H SER 91 -6.858 -4.232 -9.395 672 HA SER 91 HA SER 91 -4.737 -3.419 -7.493 673 HB2 SER 91 HB2 SER 91 -3.221 -4.592 -8.929 674 HB3 SER 91 HB3 SER 91 -4.632 -5.615 -8.702 675 HG SER 91 HG SER 91 -4.122 -3.906 -10.881 676 H TYR 92 H TYR 92 -2.754 -2.380 -8.599 677 HA TYR 92 HA TYR 92 -3.312 0.148 -9.683 678 HB2 TYR 92 HB2 TYR 92 -0.878 -1.645 -10.029 679 HB3 TYR 92 HB3 TYR 92 -0.938 0.021 -10.590 680 HD1 TYR 92 HD1 TYR 92 -0.268 -2.143 -7.837 681 HD2 TYR 92 HD2 TYR 92 -1.471 1.848 -8.852 682 HE1 TYR 92 HE1 TYR 92 0.429 -1.363 -5.597 683 HE2 TYR 92 HE2 TYR 92 -0.775 2.627 -6.612 684 HH TYR 92 HH TYR 92 -0.235 1.911 -4.501 685 H THR 93 H THR 93 -3.213 1.042 -11.751 686 HA THR 93 HA THR 93 -4.582 -0.577 -13.719 687 HB THR 93 HB THR 93 -3.405 2.229 -13.913 688 HG1 THR 93 HG1 THR 93 -5.416 1.417 -12.536 689 HG21 THR 93 HG21 THR 93 -4.845 2.463 -15.899 690 HG22 THR 93 HG22 THR 93 -3.642 1.174 -16.135 691 HG23 THR 93 HG23 THR 93 -5.330 0.758 -15.754 692 H PHE 94 H PHE 94 -2.810 -2.242 -13.711 693 HA PHE 94 HA PHE 94 -0.367 -1.564 -15.150 694 HB2 PHE 94 HB2 PHE 94 -1.584 -4.217 -14.299 695 HB3 PHE 94 HB3 PHE 94 -0.042 -4.080 -15.127 696 HD1 PHE 94 HD1 PHE 94 -0.850 -5.128 -12.256 697 HD2 PHE 94 HD2 PHE 94 0.917 -1.535 -13.747 698 HE1 PHE 94 HE1 PHE 94 0.285 -4.786 -10.086 699 HE2 PHE 94 HE2 PHE 94 2.055 -1.191 -11.580 700 HZ PHE 94 HZ PHE 94 1.736 -2.818 -9.748 701 H HIS 95 H HIS 95 -3.570 -2.625 -15.973 702 HA HIS 95 HA HIS 95 -3.111 -3.737 -18.546 703 HB2 HIS 95 HB2 HIS 95 -5.309 -3.773 -17.435 704 HB3 HIS 95 HB3 HIS 95 -5.430 -2.025 -17.580 705 HD2 HIS 95 HD2 HIS 95 -6.633 -1.154 -20.022 706 HE1 HIS 95 HE1 HIS 95 -6.353 -4.927 -21.954 707 H GLY 96 H GLY 96 -4.170 -0.363 -17.901 708 HA2 GLY 96 HA2 GLY 96 -3.202 0.818 -20.265 709 HA3 GLY 96 HA3 GLY 96 -3.314 1.632 -18.715 710 H ASP 97 H ASP 97 -1.235 -0.109 -20.931 711 HA ASP 97 HA ASP 97 1.083 0.351 -19.098 712 HB2 ASP 97 HB2 ASP 97 0.543 -2.051 -19.332 713 HB3 ASP 97 HB3 ASP 97 0.653 -1.919 -21.082 714 HA PRO 98 HA PRO 98 2.296 2.793 -22.601 715 HB2 PRO 98 HB2 PRO 98 4.287 4.191 -21.362 716 HB3 PRO 98 HB3 PRO 98 2.581 4.541 -21.055 717 HG2 PRO 98 HG2 PRO 98 4.500 2.819 -19.424 718 HG3 PRO 98 HG3 PRO 98 3.429 4.101 -18.851 719 HD2 PRO 98 HD2 PRO 98 2.708 1.471 -18.710 720 HD3 PRO 98 HD3 PRO 98 1.492 2.773 -19.027 721 H HIS 99 H HIS 99 3.091 0.063 -22.422 722 HA HIS 99 HA HIS 99 5.963 0.151 -23.166 723 HB2 HIS 99 HB2 HIS 99 5.137 -1.819 -21.937 724 HB3 HIS 99 HB3 HIS 99 3.952 -2.130 -23.197 725 HD2 HIS 99 HD2 HIS 99 4.835 -3.922 -25.038 726 HE1 HIS 99 HE1 HIS 99 9.019 -3.400 -24.410 727 H ALA 100 H ALA 100 2.779 0.197 -24.614 728 HA ALA 100 HA ALA 100 3.673 -0.197 -27.320 729 HB1 ALA 100 HB1 ALA 100 1.521 0.855 -27.939 730 HB2 ALA 100 HB2 ALA 100 1.308 -0.395 -26.689 731 HB3 ALA 100 HB3 ALA 100 1.272 1.326 -26.242 732 H MET 101 H MET 101 2.992 2.761 -25.422 733 HA MET 101 HA MET 101 4.000 4.587 -27.362 734 HB2 MET 101 HB2 MET 101 3.789 4.739 -24.337 735 HB3 MET 101 HB3 MET 101 4.348 6.085 -25.319 736 HG2 MET 101 HG2 MET 101 2.134 5.886 -26.591 737 HG3 MET 101 HG3 MET 101 1.610 4.810 -25.294 738 HE1 MET 101 HE1 MET 101 1.601 7.105 -22.162 739 HE2 MET 101 HE2 MET 101 1.137 5.526 -22.846 740 HE3 MET 101 HE3 MET 101 2.856 5.956 -22.685 741 H PHE 102 H PHE 102 5.605 2.728 -24.810 742 HA PHE 102 HA PHE 102 8.210 3.813 -25.124 743 HB2 PHE 102 HB2 PHE 102 7.704 2.308 -23.288 744 HB3 PHE 102 HB3 PHE 102 7.282 1.010 -24.394 745 HD1 PHE 102 HD1 PHE 102 10.158 3.249 -23.554 746 HD2 PHE 102 HD2 PHE 102 8.859 -0.599 -24.882 747 HE1 PHE 102 HE1 PHE 102 12.494 2.442 -23.496 748 HE2 PHE 102 HE2 PHE 102 11.193 -1.410 -24.822 749 HZ PHE 102 HZ PHE 102 13.011 0.112 -24.130 750 H ALA 103 H ALA 103 6.674 1.016 -26.751 751 HA ALA 103 HA ALA 103 8.776 0.413 -28.522 752 HB1 ALA 103 HB1 ALA 103 7.031 -0.572 -29.972 753 HB2 ALA 103 HB2 ALA 103 6.790 -1.006 -28.263 754 HB3 ALA 103 HB3 ALA 103 5.780 0.251 -29.013 755 H GLU 104 H GLU 104 6.359 2.970 -28.651 756 HA GLU 104 HA GLU 104 7.108 3.830 -31.327 757 HB2 GLU 104 HB2 GLU 104 5.539 5.178 -29.096 758 HB3 GLU 104 HB3 GLU 104 5.800 5.906 -30.675 759 HG2 GLU 104 HG2 GLU 104 4.592 4.103 -31.760 760 HG3 GLU 104 HG3 GLU 104 4.428 3.247 -30.229 761 H PHE 105 H PHE 105 7.935 4.792 -28.008 762 HA PHE 105 HA PHE 105 9.395 7.146 -28.821 763 HB2 PHE 105 HB2 PHE 105 9.415 5.544 -26.234 764 HB3 PHE 105 HB3 PHE 105 10.269 7.063 -26.453 765 HD1 PHE 105 HD1 PHE 105 7.948 8.180 -28.309 766 HD2 PHE 105 HD2 PHE 105 8.114 6.461 -24.401 767 HE1 PHE 105 HE1 PHE 105 5.906 9.422 -27.678 768 HE2 PHE 105 HE2 PHE 105 6.071 7.700 -23.767 769 HZ PHE 105 HZ PHE 105 4.967 9.182 -25.406 770 H PHE 106 H PHE 106 10.454 3.925 -27.643 771 HA PHE 106 HA PHE 106 13.193 4.642 -28.606 772 HB2 PHE 106 HB2 PHE 106 12.400 2.927 -26.218 773 HB3 PHE 106 HB3 PHE 106 14.046 3.193 -26.768 774 HD1 PHE 106 HD1 PHE 106 11.330 4.459 -24.794 775 HD2 PHE 106 HD2 PHE 106 14.978 5.549 -26.734 776 HE1 PHE 106 HE1 PHE 106 11.474 6.483 -23.382 777 HE2 PHE 106 HE2 PHE 106 15.126 7.573 -25.321 778 HZ PHE 106 HZ PHE 106 13.372 8.039 -23.646 779 H GLY 107 H GLY 107 10.689 2.185 -28.373 780 HA2 GLY 107 HA2 GLY 107 10.290 0.435 -29.870 781 HA3 GLY 107 HA3 GLY 107 11.729 0.891 -30.763 782 H GLY 108 H GLY 108 11.844 0.326 -27.300 783 HA2 GLY 108 HA2 GLY 108 12.819 -1.357 -26.031 784 HA3 GLY 108 HA3 GLY 108 12.543 -2.460 -27.365 785 H ARG 109 H ARG 109 14.383 0.549 -27.633 786 HA ARG 109 HA ARG 109 16.928 -0.986 -27.487 787 HB2 ARG 109 HB2 ARG 109 16.165 0.957 -29.693 788 HB3 ARG 109 HB3 ARG 109 17.784 0.323 -29.439 789 HG2 ARG 109 HG2 ARG 109 15.375 -1.421 -29.995 790 HG3 ARG 109 HG3 ARG 109 16.484 -0.804 -31.244 791 HD2 ARG 109 HD2 ARG 109 18.344 -1.903 -30.068 792 HD3 ARG 109 HD3 ARG 109 17.170 -2.594 -28.924 793 HE ARG 109 HE ARG 109 17.615 -3.368 -31.708 794 HH11 ARG 109 HH11 ARG 109 15.554 -3.585 -28.872 795 HH12 ARG 109 HH12 ARG 109 14.769 -5.058 -29.400 796 HH21 ARG 109 HH21 ARG 109 16.591 -5.279 -32.382 797 HH22 ARG 109 HH22 ARG 109 15.357 -6.017 -31.386 798 H ASN 110 H ASN 110 18.822 0.357 -27.150 799 HA ASN 110 HA ASN 110 18.194 2.390 -25.151 800 HB2 ASN 110 HB2 ASN 110 20.027 0.725 -24.866 801 HB3 ASN 110 HB3 ASN 110 20.884 1.464 -26.211 802 HD21 ASN 110 HD21 ASN 110 21.401 2.879 -22.557 803 HD22 ASN 110 HD22 ASN 110 20.732 1.332 -22.957 Start of MODEL 9 1 H1 MET 1 1H MET 1 7.210 -4.605 0.716 2 H2 MET 1 2H MET 1 5.775 -4.165 0.073 3 H3 MET 1 3H MET 1 7.158 -3.507 -0.491 4 HA MET 1 HA MET 1 6.037 -3.152 2.172 5 HB2 MET 1 HB2 MET 1 8.569 -2.078 0.878 6 HB3 MET 1 HB3 MET 1 7.880 -1.416 2.352 7 HG2 MET 1 HG2 MET 1 8.196 -3.548 3.501 8 HG3 MET 1 HG3 MET 1 8.797 -4.286 2.014 9 HE1 MET 1 HE1 MET 1 11.001 -1.078 4.504 10 HE2 MET 1 HE2 MET 1 9.460 -0.737 3.680 11 HE3 MET 1 HE3 MET 1 9.517 -1.922 5.008 12 H GLY 2 H GLY 2 7.514 -0.611 0.358 13 HA2 GLY 2 HA2 GLY 2 4.803 0.557 -0.145 14 HA3 GLY 2 HA3 GLY 2 6.254 1.495 0.150 15 H LYS 3 H LYS 3 4.310 1.424 -2.142 16 HA LYS 3 HA LYS 3 5.938 0.292 -4.339 17 HB2 LYS 3 HB2 LYS 3 3.164 1.548 -4.375 18 HB3 LYS 3 HB3 LYS 3 3.954 0.777 -5.743 19 HG2 LYS 3 HG2 LYS 3 3.250 -0.638 -3.155 20 HG3 LYS 3 HG3 LYS 3 2.261 -0.652 -4.622 21 HD2 LYS 3 HD2 LYS 3 4.134 -1.675 -5.875 22 HD3 LYS 3 HD3 LYS 3 5.121 -1.664 -4.406 23 HE2 LYS 3 HE2 LYS 3 3.492 -3.145 -3.291 24 HE3 LYS 3 HE3 LYS 3 2.484 -3.142 -4.740 25 HZ1 LYS 3 HZ1 LYS 3 3.865 -5.084 -4.630 26 HZ2 LYS 3 HZ2 LYS 3 4.296 -4.167 -5.932 27 HZ3 LYS 3 HZ3 LYS 3 5.238 -4.171 -4.578 28 H ASP 4 H ASP 4 7.549 2.060 -3.670 29 HA ASP 4 HA ASP 4 6.920 4.756 -4.563 30 HB2 ASP 4 HB2 ASP 4 8.576 4.278 -2.758 31 HB3 ASP 4 HB3 ASP 4 9.614 3.481 -3.932 32 H TYR 5 H TYR 5 6.432 4.955 -6.667 33 HA TYR 5 HA TYR 5 7.333 3.289 -8.739 34 HB2 TYR 5 HB2 TYR 5 6.441 6.198 -8.858 35 HB3 TYR 5 HB3 TYR 5 6.647 5.168 -10.268 36 HD1 TYR 5 HD1 TYR 5 5.537 3.098 -7.675 37 HD2 TYR 5 HD2 TYR 5 4.159 6.126 -10.385 38 HE1 TYR 5 HE1 TYR 5 3.220 2.278 -7.415 39 HE2 TYR 5 HE2 TYR 5 1.842 5.305 -10.125 40 HH TYR 5 HH TYR 5 0.519 3.802 -9.177 41 H TYR 6 H TYR 6 8.761 6.279 -7.479 42 HA TYR 6 HA TYR 6 10.701 6.494 -9.615 43 HB2 TYR 6 HB2 TYR 6 10.837 7.747 -6.846 44 HB3 TYR 6 HB3 TYR 6 11.671 8.286 -8.296 45 HD1 TYR 6 HD1 TYR 6 8.829 8.725 -6.247 46 HD2 TYR 6 HD2 TYR 6 10.137 8.931 -10.329 47 HE1 TYR 6 HE1 TYR 6 6.937 10.223 -6.779 48 HE2 TYR 6 HE2 TYR 6 8.244 10.428 -10.860 49 HH TYR 6 HH TYR 6 6.664 11.809 -9.895 50 H GLN 7 H GLN 7 10.618 4.899 -6.491 51 HA GLN 7 HA GLN 7 13.419 4.207 -6.446 52 HB2 GLN 7 HB2 GLN 7 11.908 4.105 -4.451 53 HB3 GLN 7 HB3 GLN 7 11.059 2.752 -5.186 54 HG2 GLN 7 HG2 GLN 7 12.620 1.950 -3.541 55 HG3 GLN 7 HG3 GLN 7 13.157 1.443 -5.168 56 HE21 GLN 7 HE21 GLN 7 16.348 2.634 -4.549 57 HE22 GLN 7 HE22 GLN 7 15.310 1.381 -5.146 58 H THR 8 H THR 8 10.639 2.986 -8.143 59 HA THR 8 HA THR 8 11.999 0.452 -8.807 60 HB THR 8 HB THR 8 9.913 -0.115 -9.999 61 HG1 THR 8 HG1 THR 8 9.597 2.551 -9.982 62 HG21 THR 8 HG21 THR 8 8.386 -0.105 -8.065 63 HG22 THR 8 HG22 THR 8 10.042 -0.524 -7.566 64 HG23 THR 8 HG23 THR 8 9.408 1.109 -7.259 65 H LEU 9 H LEU 9 11.274 3.576 -10.231 66 HA LEU 9 HA LEU 9 12.310 2.834 -12.852 67 HB2 LEU 9 HB2 LEU 9 11.733 5.485 -11.501 68 HB3 LEU 9 HB3 LEU 9 12.428 5.373 -13.120 69 HG LEU 9 HG LEU 9 9.733 4.223 -12.317 70 HD11 LEU 9 HD11 LEU 9 8.803 6.118 -13.569 71 HD12 LEU 9 HD12 LEU 9 9.754 6.660 -12.166 72 HD13 LEU 9 HD13 LEU 9 10.443 6.768 -13.803 73 HD21 LEU 9 HD21 LEU 9 9.441 4.003 -14.762 74 HD22 LEU 9 HD22 LEU 9 11.090 4.623 -15.014 75 HD23 LEU 9 HD23 LEU 9 10.842 3.062 -14.197 76 H GLY 10 H GLY 10 13.586 4.238 -9.870 77 HA2 GLY 10 HA2 GLY 10 15.839 3.982 -9.157 78 HA3 GLY 10 HA3 GLY 10 16.313 3.570 -10.794 79 H LEU 11 H LEU 11 14.470 6.380 -9.563 80 HA LEU 11 HA LEU 11 16.813 8.122 -9.979 81 HB2 LEU 11 HB2 LEU 11 15.833 9.563 -11.547 82 HB3 LEU 11 HB3 LEU 11 15.453 7.951 -12.159 83 HG LEU 11 HG LEU 11 13.560 9.823 -10.697 84 HD11 LEU 11 HD11 LEU 11 12.387 9.846 -12.853 85 HD12 LEU 11 HD12 LEU 11 14.049 10.465 -13.003 86 HD13 LEU 11 HD13 LEU 11 13.658 8.819 -13.556 87 HD21 LEU 11 HD21 LEU 11 11.864 8.082 -11.146 88 HD22 LEU 11 HD22 LEU 11 13.128 7.027 -11.825 89 HD23 LEU 11 HD23 LEU 11 13.162 7.457 -10.099 90 H ALA 12 H ALA 12 16.087 10.500 -9.479 91 HA ALA 12 HA ALA 12 15.052 10.387 -6.767 92 HB1 ALA 12 HB1 ALA 12 15.498 12.820 -6.755 93 HB2 ALA 12 HB2 ALA 12 16.896 11.896 -7.354 94 HB3 ALA 12 HB3 ALA 12 15.843 12.757 -8.499 95 H ARG 13 H ARG 13 13.197 11.227 -5.923 96 HA ARG 13 HA ARG 13 10.847 11.056 -7.471 97 HB2 ARG 13 HB2 ARG 13 11.340 12.567 -4.883 98 HB3 ARG 13 HB3 ARG 13 9.751 12.246 -5.561 99 HG2 ARG 13 HG2 ARG 13 10.128 9.830 -5.331 100 HG3 ARG 13 HG3 ARG 13 11.742 10.151 -4.651 101 HD2 ARG 13 HD2 ARG 13 10.761 11.326 -2.798 102 HD3 ARG 13 HD3 ARG 13 9.138 11.116 -3.494 103 HE ARG 13 HE ARG 13 10.179 8.561 -3.280 104 HH11 ARG 13 HH11 ARG 13 9.518 11.224 -1.085 105 HH12 ARG 13 HH12 ARG 13 9.208 10.182 0.285 106 HH21 ARG 13 HH21 ARG 13 9.774 7.220 -1.494 107 HH22 ARG 13 HH22 ARG 13 9.353 7.915 0.055 108 H GLY 14 H GLY 14 13.115 13.652 -7.130 109 HA2 GLY 14 HA2 GLY 14 11.135 15.621 -8.196 110 HA3 GLY 14 HA3 GLY 14 12.604 16.030 -7.329 111 H ALA 15 H ALA 15 12.745 13.468 -9.678 112 HA ALA 15 HA ALA 15 14.729 14.835 -11.238 113 HB1 ALA 15 HB1 ALA 15 14.552 12.888 -12.754 114 HB2 ALA 15 HB2 ALA 15 14.672 12.389 -11.049 115 HB3 ALA 15 HB3 ALA 15 13.099 12.350 -11.879 116 H SER 16 H SER 16 14.455 14.781 -13.755 117 HA SER 16 HA SER 16 12.158 16.602 -14.246 118 HB2 SER 16 HB2 SER 16 13.430 17.458 -16.096 119 HB3 SER 16 HB3 SER 16 14.486 17.391 -14.694 120 HG SER 16 HG SER 16 15.628 15.922 -15.588 121 H ASP 17 H ASP 17 11.153 16.550 -16.406 122 HA ASP 17 HA ASP 17 9.967 14.076 -16.977 123 HB2 ASP 17 HB2 ASP 17 10.392 16.512 -18.747 124 HB3 ASP 17 HB3 ASP 17 9.420 15.131 -19.238 125 H GLU 18 H GLU 18 12.812 15.592 -18.492 126 HA GLU 18 HA GLU 18 13.234 13.567 -20.457 127 HB2 GLU 18 HB2 GLU 18 14.325 15.772 -20.564 128 HB3 GLU 18 HB3 GLU 18 15.224 15.425 -19.093 129 HG2 GLU 18 HG2 GLU 18 16.384 13.578 -20.242 130 HG3 GLU 18 HG3 GLU 18 15.488 13.939 -21.716 131 H GLU 19 H GLU 19 14.582 13.986 -17.177 132 HA GLU 19 HA GLU 19 16.244 11.667 -17.258 133 HB2 GLU 19 HB2 GLU 19 14.992 13.203 -14.952 134 HB3 GLU 19 HB3 GLU 19 16.082 11.845 -14.708 135 HG2 GLU 19 HG2 GLU 19 17.888 13.010 -15.796 136 HG3 GLU 19 HG3 GLU 19 16.815 14.320 -16.284 137 H ILE 20 H ILE 20 12.858 12.148 -16.332 138 HA ILE 20 HA ILE 20 12.374 9.516 -15.354 139 HB ILE 20 HB ILE 20 10.564 11.576 -16.666 140 HG12 ILE 20 HG12 ILE 20 10.634 10.600 -13.809 141 HG13 ILE 20 HG13 ILE 20 11.584 11.964 -14.376 142 HG21 ILE 20 HG21 ILE 20 8.669 10.181 -15.940 143 HG22 ILE 20 HG22 ILE 20 9.670 9.326 -17.136 144 HG23 ILE 20 HG23 ILE 20 9.800 8.913 -15.410 145 HD11 ILE 20 HD11 ILE 20 9.518 12.707 -13.332 146 HD12 ILE 20 HD12 ILE 20 9.531 13.125 -15.062 147 HD13 ILE 20 HD13 ILE 20 8.568 11.744 -14.487 148 H LYS 21 H LYS 21 12.179 10.897 -18.632 149 HA LYS 21 HA LYS 21 11.214 8.523 -19.898 150 HB2 LYS 21 HB2 LYS 21 12.797 10.896 -20.946 151 HB3 LYS 21 HB3 LYS 21 12.233 9.594 -21.985 152 HG2 LYS 21 HG2 LYS 21 9.907 10.096 -21.397 153 HG3 LYS 21 HG3 LYS 21 10.447 11.368 -20.293 154 HD2 LYS 21 HD2 LYS 21 11.499 12.563 -22.197 155 HD3 LYS 21 HD3 LYS 21 10.928 11.298 -23.296 156 HE2 LYS 21 HE2 LYS 21 8.592 11.821 -22.703 157 HE3 LYS 21 HE3 LYS 21 9.145 13.063 -21.576 158 HZ1 LYS 21 HZ1 LYS 21 8.501 13.998 -23.673 159 HZ2 LYS 21 HZ2 LYS 21 10.116 14.234 -23.432 160 HZ3 LYS 21 HZ3 LYS 21 9.599 13.074 -24.486 161 H ARG 22 H ARG 22 14.510 9.750 -19.337 162 HA ARG 22 HA ARG 22 15.848 7.599 -20.665 163 HB2 ARG 22 HB2 ARG 22 16.730 9.444 -18.424 164 HB3 ARG 22 HB3 ARG 22 17.798 8.286 -19.204 165 HG2 ARG 22 HG2 ARG 22 17.507 9.421 -21.349 166 HG3 ARG 22 HG3 ARG 22 16.376 10.571 -20.595 167 HD2 ARG 22 HD2 ARG 22 18.178 11.248 -19.055 168 HD3 ARG 22 HD3 ARG 22 19.290 10.189 -19.954 169 HE ARG 22 HE ARG 22 18.207 12.762 -20.796 170 HH11 ARG 22 HH11 ARG 22 19.798 9.787 -21.775 171 HH12 ARG 22 HH12 ARG 22 20.469 10.477 -23.235 172 HH21 ARG 22 HH21 ARG 22 19.083 13.648 -22.695 173 HH22 ARG 22 HH22 ARG 22 20.064 12.662 -23.758 174 H ALA 23 H ALA 23 15.194 8.160 -17.184 175 HA ALA 23 HA ALA 23 16.177 5.705 -16.232 176 HB1 ALA 23 HB1 ALA 23 14.669 6.052 -14.302 177 HB2 ALA 23 HB2 ALA 23 15.515 7.551 -14.756 178 HB3 ALA 23 HB3 ALA 23 13.811 7.318 -15.211 179 H TYR 24 H TYR 24 12.959 6.503 -17.517 180 HA TYR 24 HA TYR 24 11.787 3.955 -16.950 181 HB2 TYR 24 HB2 TYR 24 10.361 5.851 -17.421 182 HB3 TYR 24 HB3 TYR 24 11.109 6.103 -18.991 183 HD1 TYR 24 HD1 TYR 24 9.361 3.373 -17.099 184 HD2 TYR 24 HD2 TYR 24 9.974 5.370 -20.847 185 HE1 TYR 24 HE1 TYR 24 7.648 1.932 -18.148 186 HE2 TYR 24 HE2 TYR 24 8.261 3.930 -21.896 187 HH TYR 24 HH TYR 24 6.557 1.435 -20.018 188 H ARG 25 H ARG 25 13.343 5.255 -19.887 189 HA ARG 25 HA ARG 25 13.001 3.024 -21.557 190 HB2 ARG 25 HB2 ARG 25 13.968 5.199 -22.267 191 HB3 ARG 25 HB3 ARG 25 15.435 4.836 -21.372 192 HG2 ARG 25 HG2 ARG 25 15.549 2.710 -22.869 193 HG3 ARG 25 HG3 ARG 25 14.407 3.599 -23.906 194 HD2 ARG 25 HD2 ARG 25 16.577 4.047 -24.697 195 HD3 ARG 25 HD3 ARG 25 16.015 5.510 -23.854 196 HE ARG 25 HE ARG 25 17.461 3.837 -22.060 197 HH11 ARG 25 HH11 ARG 25 17.924 6.003 -24.786 198 HH12 ARG 25 HH12 ARG 25 19.548 6.452 -24.314 199 HH21 ARG 25 HH21 ARG 25 19.569 4.428 -21.458 200 HH22 ARG 25 HH22 ARG 25 20.479 5.560 -22.430 201 H ARG 26 H ARG 26 15.691 3.709 -19.294 202 HA ARG 26 HA ARG 26 17.192 1.382 -19.675 203 HB2 ARG 26 HB2 ARG 26 17.930 3.205 -18.226 204 HB3 ARG 26 HB3 ARG 26 16.629 2.878 -17.093 205 HG2 ARG 26 HG2 ARG 26 17.617 0.679 -16.586 206 HG3 ARG 26 HG3 ARG 26 18.943 1.030 -17.721 207 HD2 ARG 26 HD2 ARG 26 19.631 1.478 -15.468 208 HD3 ARG 26 HD3 ARG 26 19.524 2.998 -16.386 209 HE ARG 26 HE ARG 26 17.098 2.388 -14.950 210 HH11 ARG 26 HH11 ARG 26 20.317 3.764 -14.661 211 HH12 ARG 26 HH12 ARG 26 19.896 4.781 -13.300 212 HH21 ARG 26 HH21 ARG 26 16.564 3.712 -13.184 213 HH22 ARG 26 HH22 ARG 26 17.772 4.752 -12.464 214 H GLN 27 H GLN 27 14.307 1.862 -17.644 215 HA GLN 27 HA GLN 27 14.493 -0.745 -16.414 216 HB2 GLN 27 HB2 GLN 27 12.255 1.304 -16.575 217 HB3 GLN 27 HB3 GLN 27 12.097 -0.213 -15.702 218 HG2 GLN 27 HG2 GLN 27 14.048 2.023 -15.136 219 HG3 GLN 27 HG3 GLN 27 12.650 1.511 -14.150 220 HE21 GLN 27 HE21 GLN 27 15.844 0.173 -12.708 221 HE22 GLN 27 HE22 GLN 27 15.287 1.753 -13.153 222 H ALA 28 H ALA 28 12.467 0.618 -19.017 223 HA ALA 28 HA ALA 28 11.024 -1.798 -19.512 224 HB1 ALA 28 HB1 ALA 28 10.423 -0.740 -21.667 225 HB2 ALA 28 HB2 ALA 28 10.242 0.390 -20.304 226 HB3 ALA 28 HB3 ALA 28 11.652 0.516 -21.382 227 H LEU 29 H LEU 29 14.095 -0.546 -20.745 228 HA LEU 29 HA LEU 29 14.594 -2.700 -22.571 229 HB2 LEU 29 HB2 LEU 29 16.456 -0.892 -20.995 230 HB3 LEU 29 HB3 LEU 29 17.017 -2.063 -22.192 231 HG LEU 29 HG LEU 29 15.151 0.260 -22.791 232 HD11 LEU 29 HD11 LEU 29 17.121 1.273 -23.850 233 HD12 LEU 29 HD12 LEU 29 17.364 1.031 -22.104 234 HD13 LEU 29 HD13 LEU 29 18.126 -0.076 -23.272 235 HD21 LEU 29 HD21 LEU 29 15.671 -0.322 -25.136 236 HD22 LEU 29 HD22 LEU 29 16.656 -1.695 -24.577 237 HD23 LEU 29 HD23 LEU 29 14.899 -1.686 -24.293 238 H ARG 30 H ARG 30 15.104 -2.287 -19.092 239 HA ARG 30 HA ARG 30 16.674 -4.646 -18.704 240 HB2 ARG 30 HB2 ARG 30 16.488 -2.833 -17.032 241 HB3 ARG 30 HB3 ARG 30 14.798 -3.235 -16.774 242 HG2 ARG 30 HG2 ARG 30 15.412 -5.415 -15.877 243 HG3 ARG 30 HG3 ARG 30 17.130 -5.082 -16.207 244 HD2 ARG 30 HD2 ARG 30 17.090 -3.227 -14.673 245 HD3 ARG 30 HD3 ARG 30 15.353 -3.477 -14.385 246 HE ARG 30 HE ARG 30 16.756 -5.881 -13.840 247 HH11 ARG 30 HH11 ARG 30 16.289 -2.646 -12.555 248 HH12 ARG 30 HH12 ARG 30 16.583 -3.126 -10.899 249 HH21 ARG 30 HH21 ARG 30 17.135 -6.493 -11.688 250 HH22 ARG 30 HH22 ARG 30 17.061 -5.304 -10.407 251 H TYR 31 H TYR 31 13.176 -4.048 -18.724 252 HA TYR 31 HA TYR 31 12.733 -6.925 -18.082 253 HB2 TYR 31 HB2 TYR 31 10.910 -4.500 -17.855 254 HB3 TYR 31 HB3 TYR 31 10.360 -6.153 -17.617 255 HD1 TYR 31 HD1 TYR 31 12.166 -3.344 -16.186 256 HD2 TYR 31 HD2 TYR 31 11.214 -7.502 -15.716 257 HE1 TYR 31 HE1 TYR 31 12.855 -3.235 -13.815 258 HE2 TYR 31 HE2 TYR 31 11.902 -7.392 -13.346 259 HH TYR 31 HH TYR 31 13.072 -4.355 -11.909 260 H HIS 32 H HIS 32 13.116 -5.108 -20.743 261 HA HIS 32 HA HIS 32 11.146 -5.923 -22.562 262 HB2 HIS 32 HB2 HIS 32 13.266 -4.590 -23.040 263 HB3 HIS 32 HB3 HIS 32 14.129 -6.120 -23.080 264 HD2 HIS 32 HD2 HIS 32 11.937 -3.939 -25.371 265 HE1 HIS 32 HE1 HIS 32 12.584 -7.645 -27.375 266 HE2 HIS 32 HE2 HIS 32 11.712 -5.260 -27.603 267 HA PRO 33 HA PRO 33 10.692 -10.166 -22.277 268 HB2 PRO 33 HB2 PRO 33 10.573 -9.986 -25.326 269 HB3 PRO 33 HB3 PRO 33 9.518 -10.891 -24.233 270 HG2 PRO 33 HG2 PRO 33 8.643 -8.564 -25.165 271 HG3 PRO 33 HG3 PRO 33 8.410 -8.928 -23.452 272 HD2 PRO 33 HD2 PRO 33 10.476 -7.139 -24.773 273 HD3 PRO 33 HD3 PRO 33 9.589 -6.906 -23.213 274 H ASP 34 H ASP 34 12.920 -8.870 -24.733 275 HA ASP 34 HA ASP 34 14.369 -11.431 -24.906 276 HB2 ASP 34 HB2 ASP 34 14.765 -8.755 -26.300 277 HB3 ASP 34 HB3 ASP 34 15.792 -10.158 -26.565 278 H LYS 35 H LYS 35 14.283 -9.322 -22.558 279 HA LYS 35 HA LYS 35 17.247 -9.250 -22.188 280 HB2 LYS 35 HB2 LYS 35 15.231 -7.074 -21.497 281 HB3 LYS 35 HB3 LYS 35 16.916 -7.066 -20.993 282 HG2 LYS 35 HG2 LYS 35 15.966 -7.052 -23.873 283 HG3 LYS 35 HG3 LYS 35 16.492 -5.634 -22.956 284 HD2 LYS 35 HD2 LYS 35 18.719 -6.719 -22.621 285 HD3 LYS 35 HD3 LYS 35 18.182 -8.071 -23.630 286 HE2 LYS 35 HE2 LYS 35 17.817 -6.502 -25.518 287 HE3 LYS 35 HE3 LYS 35 18.383 -5.167 -24.512 288 HZ1 LYS 35 HZ1 LYS 35 20.116 -6.007 -25.918 289 HZ2 LYS 35 HZ2 LYS 35 20.504 -6.274 -24.337 290 HZ3 LYS 35 HZ3 LYS 35 19.976 -7.520 -25.279 291 H ASN 36 H ASN 36 14.048 -9.575 -20.773 292 HA ASN 36 HA ASN 36 15.282 -11.076 -18.555 293 HB2 ASN 36 HB2 ASN 36 15.132 -8.775 -17.683 294 HB3 ASN 36 HB3 ASN 36 13.418 -8.728 -18.074 295 HD21 ASN 36 HD21 ASN 36 14.741 -10.463 -14.677 296 HD22 ASN 36 HD22 ASN 36 15.806 -9.739 -15.834 297 H LYS 37 H LYS 37 14.271 -12.905 -18.282 298 HA LYS 37 HA LYS 37 11.335 -12.971 -18.828 299 HB2 LYS 37 HB2 LYS 37 13.401 -15.098 -19.523 300 HB3 LYS 37 HB3 LYS 37 11.661 -15.336 -19.614 301 HG2 LYS 37 HG2 LYS 37 11.514 -13.523 -21.301 302 HG3 LYS 37 HG3 LYS 37 13.271 -13.339 -21.230 303 HD2 LYS 37 HD2 LYS 37 13.544 -15.697 -21.943 304 HD3 LYS 37 HD3 LYS 37 11.784 -15.870 -22.024 305 HE2 LYS 37 HE2 LYS 37 11.692 -14.089 -23.743 306 HE3 LYS 37 HE3 LYS 37 13.448 -13.926 -23.667 307 HZ1 LYS 37 HZ1 LYS 37 12.769 -15.312 -25.485 308 HZ2 LYS 37 HZ2 LYS 37 13.633 -16.204 -24.399 309 HZ3 LYS 37 HZ3 LYS 37 11.992 -16.356 -24.472 310 H GLU 38 H GLU 38 10.917 -12.646 -16.630 311 HA GLU 38 HA GLU 38 11.361 -15.083 -14.987 312 HB2 GLU 38 HB2 GLU 38 12.000 -12.234 -14.124 313 HB3 GLU 38 HB3 GLU 38 11.866 -13.588 -13.010 314 HG2 GLU 38 HG2 GLU 38 13.715 -14.728 -14.192 315 HG3 GLU 38 HG3 GLU 38 13.863 -13.341 -15.270 316 HA PRO 39 HA PRO 39 7.140 -14.405 -14.095 317 HB2 PRO 39 HB2 PRO 39 6.856 -16.114 -11.962 318 HB3 PRO 39 HB3 PRO 39 7.056 -16.698 -13.620 319 HG2 PRO 39 HG2 PRO 39 9.161 -16.374 -11.439 320 HG3 PRO 39 HG3 PRO 39 8.879 -17.766 -12.487 321 HD2 PRO 39 HD2 PRO 39 10.814 -15.936 -13.059 322 HD3 PRO 39 HD3 PRO 39 9.863 -16.744 -14.370 323 H GLY 40 H GLY 40 6.120 -12.843 -12.966 324 HA2 GLY 40 HA2 GLY 40 5.587 -11.535 -11.040 325 HA3 GLY 40 HA3 GLY 40 7.057 -12.085 -10.258 326 H ALA 41 H ALA 41 8.972 -11.547 -12.215 327 HA ALA 41 HA ALA 41 9.403 -8.749 -12.113 328 HB1 ALA 41 HB1 ALA 41 11.100 -9.146 -13.869 329 HB2 ALA 41 HB2 ALA 41 11.198 -10.359 -12.570 330 HB3 ALA 41 HB3 ALA 41 10.441 -10.779 -14.124 331 H GLU 42 H GLU 42 7.858 -10.770 -14.599 332 HA GLU 42 HA GLU 42 7.233 -8.777 -16.478 333 HB2 GLU 42 HB2 GLU 42 5.623 -11.176 -15.526 334 HB3 GLU 42 HB3 GLU 42 5.133 -10.171 -16.884 335 HG2 GLU 42 HG2 GLU 42 7.198 -10.732 -18.073 336 HG3 GLU 42 HG3 GLU 42 7.739 -11.699 -16.703 337 H GLU 43 H GLU 43 5.773 -9.464 -13.335 338 HA GLU 43 HA GLU 43 3.651 -7.485 -13.736 339 HB2 GLU 43 HB2 GLU 43 4.540 -9.018 -11.259 340 HB3 GLU 43 HB3 GLU 43 3.129 -7.972 -11.336 341 HG2 GLU 43 HG2 GLU 43 3.554 -10.472 -12.990 342 HG3 GLU 43 HG3 GLU 43 2.566 -10.353 -11.534 343 H LYS 44 H LYS 44 6.781 -7.688 -12.098 344 HA LYS 44 HA LYS 44 6.685 -5.135 -10.826 345 HB2 LYS 44 HB2 LYS 44 9.011 -6.777 -11.893 346 HB3 LYS 44 HB3 LYS 44 9.223 -5.278 -11.000 347 HG2 LYS 44 HG2 LYS 44 8.094 -6.260 -9.048 348 HG3 LYS 44 HG3 LYS 44 7.843 -7.764 -9.946 349 HD2 LYS 44 HD2 LYS 44 10.295 -8.022 -10.194 350 HD3 LYS 44 HD3 LYS 44 10.539 -6.526 -9.280 351 HE2 LYS 44 HE2 LYS 44 9.423 -7.533 -7.320 352 HE3 LYS 44 HE3 LYS 44 9.157 -9.023 -8.229 353 HZ1 LYS 44 HZ1 LYS 44 11.083 -9.176 -6.831 354 HZ2 LYS 44 HZ2 LYS 44 11.536 -9.268 -8.415 355 HZ3 LYS 44 HZ3 LYS 44 11.786 -7.877 -7.565 356 H PHE 45 H PHE 45 7.533 -6.121 -14.121 357 HA PHE 45 HA PHE 45 8.316 -3.519 -15.032 358 HB2 PHE 45 HB2 PHE 45 8.757 -5.623 -16.286 359 HB3 PHE 45 HB3 PHE 45 7.035 -5.805 -16.584 360 HD1 PHE 45 HD1 PHE 45 8.461 -2.449 -16.620 361 HD2 PHE 45 HD2 PHE 45 7.479 -5.862 -18.993 362 HE1 PHE 45 HE1 PHE 45 8.671 -1.082 -18.669 363 HE2 PHE 45 HE2 PHE 45 7.692 -4.501 -21.046 364 HZ PHE 45 HZ PHE 45 8.287 -2.108 -20.882 365 H LYS 46 H LYS 46 5.176 -5.222 -15.017 366 HA LYS 46 HA LYS 46 3.618 -3.134 -16.130 367 HB2 LYS 46 HB2 LYS 46 2.946 -5.269 -14.074 368 HB3 LYS 46 HB3 LYS 46 1.744 -4.168 -14.733 369 HG2 LYS 46 HG2 LYS 46 2.164 -5.022 -16.994 370 HG3 LYS 46 HG3 LYS 46 3.420 -6.099 -16.365 371 HD2 LYS 46 HD2 LYS 46 1.699 -7.181 -14.900 372 HD3 LYS 46 HD3 LYS 46 0.464 -6.163 -15.656 373 HE2 LYS 46 HE2 LYS 46 0.939 -7.143 -17.844 374 HE3 LYS 46 HE3 LYS 46 2.266 -8.089 -17.168 375 HZ1 LYS 46 HZ1 LYS 46 0.281 -9.391 -17.392 376 HZ2 LYS 46 HZ2 LYS 46 0.670 -9.241 -15.795 377 HZ3 LYS 46 HZ3 LYS 46 -0.571 -8.359 -16.429 378 H GLU 47 H GLU 47 4.701 -3.691 -12.792 379 HA GLU 47 HA GLU 47 3.371 -1.421 -11.661 380 HB2 GLU 47 HB2 GLU 47 5.874 -2.949 -10.862 381 HB3 GLU 47 HB3 GLU 47 5.244 -1.606 -9.916 382 HG2 GLU 47 HG2 GLU 47 3.118 -2.816 -9.617 383 HG3 GLU 47 HG3 GLU 47 3.757 -4.162 -10.557 384 H ILE 48 H ILE 48 6.655 -1.840 -13.008 385 HA ILE 48 HA ILE 48 7.426 0.899 -12.722 386 HB ILE 48 HB ILE 48 8.347 -1.309 -14.596 387 HG12 ILE 48 HG12 ILE 48 9.769 0.025 -12.285 388 HG13 ILE 48 HG13 ILE 48 8.810 -1.439 -12.122 389 HG21 ILE 48 HG21 ILE 48 10.219 0.168 -15.206 390 HG22 ILE 48 HG22 ILE 48 8.663 0.862 -15.720 391 HG23 ILE 48 HG23 ILE 48 9.484 1.493 -14.272 392 HD11 ILE 48 HD11 ILE 48 11.176 -1.958 -12.327 393 HD12 ILE 48 HD12 ILE 48 10.273 -2.592 -13.725 394 HD13 ILE 48 HD13 ILE 48 11.245 -1.110 -13.889 395 H ALA 49 H ALA 49 5.368 -0.751 -14.991 396 HA ALA 49 HA ALA 49 5.362 1.404 -16.940 397 HB1 ALA 49 HB1 ALA 49 3.408 0.216 -17.885 398 HB2 ALA 49 HB2 ALA 49 4.771 -0.888 -17.589 399 HB3 ALA 49 HB3 ALA 49 3.388 -0.861 -16.470 400 H GLU 50 H GLU 50 3.482 0.559 -14.075 401 HA GLU 50 HA GLU 50 1.554 2.670 -14.335 402 HB2 GLU 50 HB2 GLU 50 2.663 1.191 -11.922 403 HB3 GLU 50 HB3 GLU 50 1.395 2.402 -11.799 404 HG2 GLU 50 HG2 GLU 50 1.206 -0.115 -13.468 405 HG3 GLU 50 HG3 GLU 50 0.578 0.059 -11.830 406 H ALA 51 H ALA 51 4.803 2.500 -12.899 407 HA ALA 51 HA ALA 51 5.037 5.074 -11.863 408 HB1 ALA 51 HB1 ALA 51 7.432 4.938 -12.468 409 HB2 ALA 51 HB2 ALA 51 6.840 3.412 -11.768 410 HB3 ALA 51 HB3 ALA 51 7.078 3.553 -13.525 411 H TYR 52 H TYR 52 5.987 4.201 -15.208 412 HA TYR 52 HA TYR 52 6.181 6.912 -16.072 413 HB2 TYR 52 HB2 TYR 52 7.128 4.757 -17.165 414 HB3 TYR 52 HB3 TYR 52 5.541 4.579 -17.898 415 HD1 TYR 52 HD1 TYR 52 7.942 7.417 -17.341 416 HD2 TYR 52 HD2 TYR 52 5.441 5.259 -20.081 417 HE1 TYR 52 HE1 TYR 52 8.609 8.952 -19.159 418 HE2 TYR 52 HE2 TYR 52 6.109 6.795 -21.899 419 HH TYR 52 HH TYR 52 7.984 9.673 -21.280 420 H ASP 53 H ASP 53 3.523 4.551 -16.280 421 HA ASP 53 HA ASP 53 1.564 5.935 -17.610 422 HB2 ASP 53 HB2 ASP 53 1.305 3.743 -16.366 423 HB3 ASP 53 HB3 ASP 53 1.137 4.663 -14.878 424 H VAL 54 H VAL 54 2.312 6.425 -14.133 425 HA VAL 54 HA VAL 54 0.762 8.774 -13.799 426 HB VAL 54 HB VAL 54 3.328 7.846 -12.451 427 HG11 VAL 54 HG11 VAL 54 2.866 9.499 -10.708 428 HG12 VAL 54 HG12 VAL 54 3.199 10.263 -12.279 429 HG13 VAL 54 HG13 VAL 54 1.526 10.150 -11.681 430 HG21 VAL 54 HG21 VAL 54 1.776 7.272 -10.613 431 HG22 VAL 54 HG22 VAL 54 0.406 7.852 -11.590 432 HG23 VAL 54 HG23 VAL 54 1.333 6.427 -12.115 433 H LEU 55 H LEU 55 4.071 8.315 -15.036 434 HA LEU 55 HA LEU 55 4.573 11.210 -14.728 435 HB2 LEU 55 HB2 LEU 55 6.441 8.980 -15.607 436 HB3 LEU 55 HB3 LEU 55 6.907 10.636 -15.206 437 HG LEU 55 HG LEU 55 5.778 8.586 -13.266 438 HD11 LEU 55 HD11 LEU 55 8.041 8.636 -12.316 439 HD12 LEU 55 HD12 LEU 55 8.050 8.081 -14.006 440 HD13 LEU 55 HD13 LEU 55 8.561 9.740 -13.612 441 HD21 LEU 55 HD21 LEU 55 6.313 10.294 -11.562 442 HD22 LEU 55 HD22 LEU 55 6.809 11.422 -12.848 443 HD23 LEU 55 HD23 LEU 55 5.111 10.905 -12.725 444 H SER 56 H SER 56 3.471 9.095 -17.111 445 HA SER 56 HA SER 56 4.326 10.996 -19.249 446 HB2 SER 56 HB2 SER 56 3.795 9.233 -20.837 447 HB3 SER 56 HB3 SER 56 4.924 8.632 -19.633 448 HG SER 56 HG SER 56 3.144 7.760 -18.527 449 H ASP 57 H ASP 57 1.603 9.601 -17.546 450 HA ASP 57 HA ASP 57 -0.257 10.976 -19.436 451 HB2 ASP 57 HB2 ASP 57 -0.440 8.454 -19.205 452 HB3 ASP 57 HB3 ASP 57 -0.905 8.698 -17.527 453 HA PRO 58 HA PRO 58 -0.660 13.835 -16.151 454 HB2 PRO 58 HB2 PRO 58 -3.054 14.646 -17.847 455 HB3 PRO 58 HB3 PRO 58 -1.804 15.671 -17.130 456 HG2 PRO 58 HG2 PRO 58 -1.637 15.113 -19.726 457 HG3 PRO 58 HG3 PRO 58 -0.169 15.053 -18.746 458 HD2 PRO 58 HD2 PRO 58 -1.925 12.765 -19.712 459 HD3 PRO 58 HD3 PRO 58 -0.121 12.866 -19.639 460 H ARG 59 H ARG 59 -2.976 11.506 -17.206 461 HA ARG 59 HA ARG 59 -5.162 12.361 -15.489 462 HB2 ARG 59 HB2 ARG 59 -4.693 9.845 -17.117 463 HB3 ARG 59 HB3 ARG 59 -6.153 10.136 -16.184 464 HG2 ARG 59 HG2 ARG 59 -6.637 12.126 -17.540 465 HG3 ARG 59 HG3 ARG 59 -5.154 11.837 -18.482 466 HD2 ARG 59 HD2 ARG 59 -7.423 9.881 -18.215 467 HD3 ARG 59 HD3 ARG 59 -7.213 11.023 -19.562 468 HE ARG 59 HE ARG 59 -4.820 9.589 -19.303 469 HH11 ARG 59 HH11 ARG 59 -8.188 8.969 -20.090 470 HH12 ARG 59 HH12 ARG 59 -7.824 7.608 -21.127 471 HH21 ARG 59 HH21 ARG 59 -4.362 7.821 -20.652 472 HH22 ARG 59 HH22 ARG 59 -5.660 6.957 -21.446 473 H LYS 60 H LYS 60 -2.470 10.122 -15.260 474 HA LYS 60 HA LYS 60 -3.393 9.425 -12.508 475 HB2 LYS 60 HB2 LYS 60 -1.674 8.031 -14.531 476 HB3 LYS 60 HB3 LYS 60 -1.259 7.820 -12.835 477 HG2 LYS 60 HG2 LYS 60 -2.663 6.009 -13.395 478 HG3 LYS 60 HG3 LYS 60 -3.669 7.113 -12.445 479 HD2 LYS 60 HD2 LYS 60 -4.640 8.033 -14.516 480 HD3 LYS 60 HD3 LYS 60 -3.614 6.964 -15.482 481 HE2 LYS 60 HE2 LYS 60 -4.693 4.993 -14.470 482 HE3 LYS 60 HE3 LYS 60 -5.700 6.043 -13.470 483 HZ1 LYS 60 HZ1 LYS 60 -6.863 5.298 -15.415 484 HZ2 LYS 60 HZ2 LYS 60 -6.663 6.935 -15.479 485 HZ3 LYS 60 HZ3 LYS 60 -5.723 5.952 -16.413 486 H ARG 61 H ARG 61 -1.245 11.389 -14.269 487 HA ARG 61 HA ARG 61 0.853 11.724 -12.383 488 HB2 ARG 61 HB2 ARG 61 0.778 12.705 -14.690 489 HB3 ARG 61 HB3 ARG 61 -0.419 13.861 -14.125 490 HG2 ARG 61 HG2 ARG 61 1.193 14.819 -12.563 491 HG3 ARG 61 HG3 ARG 61 2.405 13.613 -13.058 492 HD2 ARG 61 HD2 ARG 61 1.092 15.528 -14.963 493 HD3 ARG 61 HD3 ARG 61 2.614 15.868 -14.107 494 HE ARG 61 HE ARG 61 3.241 13.547 -15.227 495 HH11 ARG 61 HH11 ARG 61 1.509 16.275 -16.603 496 HH12 ARG 61 HH12 ARG 61 2.060 15.964 -18.233 497 HH21 ARG 61 HH21 ARG 61 3.952 13.153 -17.347 498 HH22 ARG 61 HH22 ARG 61 3.443 14.197 -18.655 499 H GLU 62 H GLU 62 -2.145 13.657 -12.775 500 HA GLU 62 HA GLU 62 -1.898 15.224 -10.465 501 HB2 GLU 62 HB2 GLU 62 -3.640 15.629 -12.130 502 HB3 GLU 62 HB3 GLU 62 -4.401 14.086 -11.771 503 HG2 GLU 62 HG2 GLU 62 -5.680 15.811 -10.743 504 HG3 GLU 62 HG3 GLU 62 -4.879 14.892 -9.470 505 H ILE 63 H ILE 63 -3.168 11.922 -10.808 506 HA ILE 63 HA ILE 63 -4.328 11.857 -8.175 507 HB ILE 63 HB ILE 63 -3.614 9.653 -10.149 508 HG12 ILE 63 HG12 ILE 63 -6.311 10.752 -9.333 509 HG13 ILE 63 HG13 ILE 63 -5.414 11.309 -10.737 510 HG21 ILE 63 HG21 ILE 63 -4.977 8.166 -8.737 511 HG22 ILE 63 HG22 ILE 63 -3.554 8.763 -7.852 512 HG23 ILE 63 HG23 ILE 63 -5.157 9.467 -7.536 513 HD11 ILE 63 HD11 ILE 63 -7.097 9.671 -11.366 514 HD12 ILE 63 HD12 ILE 63 -5.462 9.041 -11.684 515 HD13 ILE 63 HD13 ILE 63 -6.373 8.478 -10.263 516 H PHE 64 H PHE 64 -1.690 9.766 -9.392 517 HA PHE 64 HA PHE 64 -0.510 9.016 -7.033 518 HB2 PHE 64 HB2 PHE 64 0.339 8.297 -9.211 519 HB3 PHE 64 HB3 PHE 64 0.894 9.924 -9.576 520 HD1 PHE 64 HD1 PHE 64 1.596 6.834 -7.798 521 HD2 PHE 64 HD2 PHE 64 2.823 10.886 -8.370 522 HE1 PHE 64 HE1 PHE 64 3.787 6.312 -6.781 523 HE2 PHE 64 HE2 PHE 64 5.018 10.367 -7.356 524 HZ PHE 64 HZ PHE 64 5.498 8.078 -6.559 525 H ASP 65 H ASP 65 0.343 12.017 -8.804 526 HA ASP 65 HA ASP 65 2.230 12.954 -6.936 527 HB2 ASP 65 HB2 ASP 65 1.841 13.881 -9.241 528 HB3 ASP 65 HB3 ASP 65 0.375 14.652 -8.651 529 H ARG 66 H ARG 66 -1.292 13.420 -7.043 530 HA ARG 66 HA ARG 66 -1.316 15.471 -5.027 531 HB2 ARG 66 HB2 ARG 66 -3.132 15.195 -6.671 532 HB3 ARG 66 HB3 ARG 66 -3.538 13.630 -5.981 533 HG2 ARG 66 HG2 ARG 66 -5.113 15.245 -5.195 534 HG3 ARG 66 HG3 ARG 66 -4.076 14.779 -3.824 535 HD2 ARG 66 HD2 ARG 66 -4.450 17.158 -3.856 536 HD3 ARG 66 HD3 ARG 66 -2.740 16.787 -4.173 537 HE ARG 66 HE ARG 66 -4.182 17.029 -6.623 538 HH11 ARG 66 HH11 ARG 66 -2.854 18.939 -3.990 539 HH12 ARG 66 HH12 ARG 66 -2.629 20.368 -4.974 540 HH21 ARG 66 HH21 ARG 66 -3.884 18.890 -7.890 541 HH22 ARG 66 HH22 ARG 66 -3.211 20.341 -7.182 542 H TYR 67 H TYR 67 -2.254 12.010 -4.931 543 HA TYR 67 HA TYR 67 -2.154 12.203 -1.951 544 HB2 TYR 67 HB2 TYR 67 -3.761 10.302 -3.706 545 HB3 TYR 67 HB3 TYR 67 -3.741 10.292 -1.948 546 HD1 TYR 67 HD1 TYR 67 -5.444 11.442 -4.789 547 HD2 TYR 67 HD2 TYR 67 -4.335 12.621 -0.816 548 HE1 TYR 67 HE1 TYR 67 -7.297 13.077 -4.757 549 HE2 TYR 67 HE2 TYR 67 -6.188 14.256 -0.784 550 HH TYR 67 HH TYR 67 -8.395 14.589 -3.552 551 H GLY 68 H GLY 68 -1.450 10.079 -4.724 552 HA2 GLY 68 HA2 GLY 68 0.938 9.143 -4.526 553 HA3 GLY 68 HA3 GLY 68 0.428 8.556 -2.954 554 H GLU 69 H GLU 69 0.741 6.380 -3.487 555 HA GLU 69 HA GLU 69 -0.347 5.299 -5.966 556 HB2 GLU 69 HB2 GLU 69 0.859 3.845 -3.576 557 HB3 GLU 69 HB3 GLU 69 0.571 3.160 -5.169 558 HG2 GLU 69 HG2 GLU 69 2.816 3.621 -5.255 559 HG3 GLU 69 HG3 GLU 69 2.134 5.057 -6.015 560 H GLU 70 H GLU 70 -1.256 5.346 -2.560 561 HA GLU 70 HA GLU 70 -3.120 3.189 -2.653 562 HB2 GLU 70 HB2 GLU 70 -2.931 5.623 -0.837 563 HB3 GLU 70 HB3 GLU 70 -4.094 4.327 -0.592 564 HG2 GLU 70 HG2 GLU 70 -2.287 2.715 -0.299 565 HG3 GLU 70 HG3 GLU 70 -1.090 3.964 -0.635 566 H GLY 71 H GLY 71 -3.351 6.552 -3.593 567 HA2 GLY 71 HA2 GLY 71 -6.280 6.563 -3.681 568 HA3 GLY 71 HA3 GLY 71 -5.210 7.844 -4.218 569 H LEU 72 H LEU 72 -3.830 5.302 -5.637 570 HA LEU 72 HA LEU 72 -5.455 5.618 -8.113 571 HB2 LEU 72 HB2 LEU 72 -3.130 6.303 -8.337 572 HB3 LEU 72 HB3 LEU 72 -2.573 4.758 -7.686 573 HG LEU 72 HG LEU 72 -3.387 3.588 -9.676 574 HD11 LEU 72 HD11 LEU 72 -4.320 4.846 -11.567 575 HD12 LEU 72 HD12 LEU 72 -5.345 4.979 -10.119 576 HD13 LEU 72 HD13 LEU 72 -4.290 6.334 -10.591 577 HD21 LEU 72 HD21 LEU 72 -1.834 4.600 -11.312 578 HD22 LEU 72 HD22 LEU 72 -1.770 6.085 -10.333 579 HD23 LEU 72 HD23 LEU 72 -1.114 4.563 -9.684 580 H LYS 73 H LYS 73 -4.127 3.272 -5.851 581 HA LYS 73 HA LYS 73 -5.194 1.009 -7.395 582 HB2 LYS 73 HB2 LYS 73 -3.105 0.784 -6.056 583 HB3 LYS 73 HB3 LYS 73 -4.017 1.110 -4.588 584 HG2 LYS 73 HG2 LYS 73 -5.321 -0.935 -4.903 585 HG3 LYS 73 HG3 LYS 73 -4.489 -1.250 -6.433 586 HD2 LYS 73 HD2 LYS 73 -2.327 -1.381 -5.221 587 HD3 LYS 73 HD3 LYS 73 -3.174 -1.092 -3.695 588 HE2 LYS 73 HE2 LYS 73 -4.506 -3.154 -4.053 589 HE3 LYS 73 HE3 LYS 73 -3.636 -3.447 -5.562 590 HZ1 LYS 73 HZ1 LYS 73 -2.714 -4.701 -3.753 591 HZ2 LYS 73 HZ2 LYS 73 -1.605 -3.604 -4.292 592 HZ3 LYS 73 HZ3 LYS 73 -2.418 -3.331 -2.884 593 H GLY 74 H GLY 74 -6.095 3.004 -4.639 594 HA2 GLY 74 HA2 GLY 74 -8.362 3.267 -3.906 595 HA3 GLY 74 HA3 GLY 74 -8.780 1.734 -4.648 596 H SER 75 H SER 75 -6.024 2.425 -2.493 597 HA SER 75 HA SER 75 -7.176 0.447 -0.570 598 HB2 SER 75 HB2 SER 75 -4.904 -0.442 -0.249 599 HB3 SER 75 HB3 SER 75 -5.449 -0.640 -1.907 600 HG SER 75 HG SER 75 -3.995 1.606 -1.088 601 H GLY 76 H GLY 76 -6.952 3.487 -0.707 602 HA2 GLY 76 HA2 GLY 76 -5.095 4.214 1.413 603 HA3 GLY 76 HA3 GLY 76 -6.317 5.246 0.694 604 HA PRO 77 HA PRO 77 -7.519 4.607 5.036 605 HB2 PRO 77 HB2 PRO 77 -9.282 6.929 4.143 606 HB3 PRO 77 HB3 PRO 77 -8.436 6.708 5.680 607 HG2 PRO 77 HG2 PRO 77 -7.356 8.336 3.875 608 HG3 PRO 77 HG3 PRO 77 -6.305 7.212 4.742 609 HD2 PRO 77 HD2 PRO 77 -7.426 7.006 1.925 610 HD3 PRO 77 HD3 PRO 77 -5.780 6.568 2.536 611 H SER 78 H SER 78 -9.596 5.165 2.191 612 HA SER 78 HA SER 78 -11.656 3.375 3.396 613 HB2 SER 78 HB2 SER 78 -13.149 4.220 1.648 614 HB3 SER 78 HB3 SER 78 -12.480 5.540 2.595 615 HG SER 78 HG SER 78 -12.271 5.017 -0.010 616 H GLY 79 H GLY 79 -9.327 2.124 2.636 617 HA2 GLY 79 HA2 GLY 79 -8.996 1.269 0.007 618 HA3 GLY 79 HA3 GLY 79 -8.641 0.276 1.408 619 H GLY 80 H GLY 80 -10.224 0.211 -1.407 620 HA2 GLY 80 HA2 GLY 80 -11.566 -1.841 -1.851 621 HA3 GLY 80 HA3 GLY 80 -12.428 -1.527 -0.357 622 H SER 81 H SER 81 -12.676 1.326 -0.672 623 HA SER 81 HA SER 81 -15.012 1.485 -2.324 624 HB2 SER 81 HB2 SER 81 -14.985 3.849 -1.806 625 HB3 SER 81 HB3 SER 81 -14.582 2.936 -0.360 626 HG SER 81 HG SER 81 -12.394 3.318 -0.840 627 H GLY 82 H GLY 82 -11.605 2.096 -2.898 628 HA2 GLY 82 HA2 GLY 82 -10.553 3.062 -4.787 629 HA3 GLY 82 HA3 GLY 82 -11.373 1.697 -5.523 630 H GLY 83 H GLY 83 -11.938 5.091 -4.534 631 HA2 GLY 83 HA2 GLY 83 -13.039 6.821 -5.625 632 HA3 GLY 83 HA3 GLY 83 -12.928 5.890 -7.106 633 H GLY 84 H GLY 84 -14.577 4.330 -7.600 634 HA2 GLY 84 HA2 GLY 84 -17.095 4.655 -6.007 635 HA3 GLY 84 HA3 GLY 84 -17.105 4.767 -7.758 636 H ALA 85 H ALA 85 -14.821 2.555 -6.423 637 HA ALA 85 HA ALA 85 -16.140 0.275 -7.598 638 HB1 ALA 85 HB1 ALA 85 -14.307 -1.023 -6.562 639 HB2 ALA 85 HB2 ALA 85 -13.695 0.406 -7.427 640 HB3 ALA 85 HB3 ALA 85 -13.809 0.421 -5.652 641 H ASN 86 H ASN 86 -16.051 1.687 -4.386 642 HA ASN 86 HA ASN 86 -17.509 1.374 -2.630 643 HB2 ASN 86 HB2 ASN 86 -18.959 -0.347 -4.662 644 HB3 ASN 86 HB3 ASN 86 -19.572 -0.029 -3.045 645 HD21 ASN 86 HD21 ASN 86 -20.926 2.393 -5.590 646 HD22 ASN 86 HD22 ASN 86 -20.771 0.668 -5.566 647 H GLY 87 H GLY 87 -17.997 -1.875 -3.952 648 HA2 GLY 87 HA2 GLY 87 -16.523 -2.939 -1.567 649 HA3 GLY 87 HA3 GLY 87 -18.040 -3.621 -2.121 650 H THR 88 H THR 88 -16.052 -2.503 -4.671 651 HA THR 88 HA THR 88 -15.580 -5.331 -5.446 652 HB THR 88 HB THR 88 -15.474 -2.773 -7.105 653 HG1 THR 88 HG1 THR 88 -17.572 -3.131 -6.967 654 HG21 THR 88 HG21 THR 88 -15.350 -4.303 -9.032 655 HG22 THR 88 HG22 THR 88 -13.949 -4.521 -7.957 656 HG23 THR 88 HG23 THR 88 -15.284 -5.696 -7.928 657 H SER 89 H SER 89 -13.637 -6.219 -5.664 658 HA SER 89 HA SER 89 -11.295 -4.780 -4.741 659 HB2 SER 89 HB2 SER 89 -10.114 -6.847 -5.139 660 HB3 SER 89 HB3 SER 89 -11.658 -7.216 -4.386 661 HG SER 89 HG SER 89 -10.759 -8.249 -6.501 662 H PHE 90 H PHE 90 -9.305 -4.530 -5.944 663 HA PHE 90 HA PHE 90 -9.355 -4.377 -8.823 664 HB2 PHE 90 HB2 PHE 90 -10.943 -2.542 -8.357 665 HB3 PHE 90 HB3 PHE 90 -9.774 -1.779 -7.291 666 HD1 PHE 90 HD1 PHE 90 -10.062 -3.014 -10.810 667 HD2 PHE 90 HD2 PHE 90 -8.426 -0.114 -8.135 668 HE1 PHE 90 HE1 PHE 90 -9.121 -1.776 -12.732 669 HE2 PHE 90 HE2 PHE 90 -7.486 1.129 -10.053 670 HZ PHE 90 HZ PHE 90 -7.832 0.296 -12.353 671 H SER 91 H SER 91 -7.315 -4.773 -9.291 672 HA SER 91 HA SER 91 -5.153 -3.719 -7.591 673 HB2 SER 91 HB2 SER 91 -3.679 -4.996 -8.988 674 HB3 SER 91 HB3 SER 91 -5.072 -6.001 -8.622 675 HG SER 91 HG SER 91 -4.712 -4.454 -10.946 676 H TYR 92 H TYR 92 -3.216 -2.760 -8.827 677 HA TYR 92 HA TYR 92 -3.757 -0.296 -9.990 678 HB2 TYR 92 HB2 TYR 92 -1.440 -2.192 -10.544 679 HB3 TYR 92 HB3 TYR 92 -1.485 -0.518 -11.080 680 HD1 TYR 92 HD1 TYR 92 -0.616 -2.738 -8.438 681 HD2 TYR 92 HD2 TYR 92 -1.809 1.300 -9.267 682 HE1 TYR 92 HE1 TYR 92 0.318 -2.015 -6.267 683 HE2 TYR 92 HE2 TYR 92 -0.874 2.022 -7.097 684 HH TYR 92 HH TYR 92 0.127 1.391 -5.223 685 H THR 93 H THR 93 -4.001 0.542 -12.022 686 HA THR 93 HA THR 93 -5.459 -1.184 -13.843 687 HB THR 93 HB THR 93 -6.069 1.213 -13.484 688 HG1 THR 93 HG1 THR 93 -6.880 0.982 -15.414 689 HG21 THR 93 HG21 THR 93 -4.714 2.956 -14.576 690 HG22 THR 93 HG22 THR 93 -3.778 2.125 -13.310 691 HG23 THR 93 HG23 THR 93 -3.498 1.738 -15.024 692 H PHE 94 H PHE 94 -3.600 -2.699 -14.109 693 HA PHE 94 HA PHE 94 -1.194 -1.785 -15.401 694 HB2 PHE 94 HB2 PHE 94 -2.399 -4.532 -14.937 695 HB3 PHE 94 HB3 PHE 94 -0.890 -4.315 -15.810 696 HD1 PHE 94 HD1 PHE 94 -1.580 -5.713 -13.068 697 HD2 PHE 94 HD2 PHE 94 0.159 -1.966 -14.157 698 HE1 PHE 94 HE1 PHE 94 -0.351 -5.663 -10.925 699 HE2 PHE 94 HE2 PHE 94 1.393 -1.913 -12.014 700 HZ PHE 94 HZ PHE 94 1.136 -3.763 -10.398 701 H HIS 95 H HIS 95 -4.341 -2.560 -16.572 702 HA HIS 95 HA HIS 95 -3.838 -3.051 -19.305 703 HB2 HIS 95 HB2 HIS 95 -6.103 -2.967 -18.344 704 HB3 HIS 95 HB3 HIS 95 -5.936 -1.241 -18.054 705 HD2 HIS 95 HD2 HIS 95 -6.765 0.384 -20.255 706 HE1 HIS 95 HE1 HIS 95 -6.926 -2.813 -23.048 707 H GLY 96 H GLY 96 -4.273 0.191 -17.805 708 HA2 GLY 96 HA2 GLY 96 -2.995 1.733 -19.780 709 HA3 GLY 96 HA3 GLY 96 -2.981 2.099 -18.065 710 H ASP 97 H ASP 97 -1.289 0.500 -20.701 711 HA ASP 97 HA ASP 97 1.163 0.421 -18.999 712 HB2 ASP 97 HB2 ASP 97 0.266 -1.875 -19.260 713 HB3 ASP 97 HB3 ASP 97 0.279 -1.691 -21.009 714 HA PRO 98 HA PRO 98 2.304 2.791 -22.619 715 HB2 PRO 98 HB2 PRO 98 4.275 4.260 -21.437 716 HB3 PRO 98 HB3 PRO 98 2.566 4.628 -21.172 717 HG2 PRO 98 HG2 PRO 98 4.465 3.006 -19.418 718 HG3 PRO 98 HG3 PRO 98 3.386 4.318 -18.936 719 HD2 PRO 98 HD2 PRO 98 2.665 1.700 -18.651 720 HD3 PRO 98 HD3 PRO 98 1.452 2.980 -19.055 721 H HIS 99 H HIS 99 3.102 0.065 -22.236 722 HA HIS 99 HA HIS 99 5.951 0.129 -23.056 723 HB2 HIS 99 HB2 HIS 99 5.078 -1.799 -21.747 724 HB3 HIS 99 HB3 HIS 99 3.952 -2.161 -23.047 725 HD2 HIS 99 HD2 HIS 99 4.936 -4.009 -24.778 726 HE1 HIS 99 HE1 HIS 99 9.083 -3.379 -24.024 727 H ALA 100 H ALA 100 2.778 0.331 -24.441 728 HA ALA 100 HA ALA 100 3.756 -0.076 -27.165 729 HB1 ALA 100 HB1 ALA 100 1.530 0.776 -27.828 730 HB2 ALA 100 HB2 ALA 100 1.405 -0.523 -26.618 731 HB3 ALA 100 HB3 ALA 100 1.185 1.174 -26.130 732 H MET 101 H MET 101 2.938 2.718 -25.095 733 HA MET 101 HA MET 101 3.868 4.739 -26.859 734 HB2 MET 101 HB2 MET 101 3.916 4.545 -23.827 735 HB3 MET 101 HB3 MET 101 4.364 5.998 -24.709 736 HG2 MET 101 HG2 MET 101 2.148 6.279 -25.557 737 HG3 MET 101 HG3 MET 101 1.661 4.671 -25.014 738 HE1 MET 101 HE1 MET 101 2.530 8.237 -22.196 739 HE2 MET 101 HE2 MET 101 3.808 7.414 -23.124 740 HE3 MET 101 HE3 MET 101 2.546 8.338 -23.974 741 H PHE 102 H PHE 102 5.636 2.821 -24.417 742 HA PHE 102 HA PHE 102 8.215 3.853 -24.921 743 HB2 PHE 102 HB2 PHE 102 7.790 2.346 -23.057 744 HB3 PHE 102 HB3 PHE 102 7.332 1.046 -24.147 745 HD1 PHE 102 HD1 PHE 102 10.218 3.305 -23.407 746 HD2 PHE 102 HD2 PHE 102 8.904 -0.537 -24.734 747 HE1 PHE 102 HE1 PHE 102 12.563 2.523 -23.457 748 HE2 PHE 102 HE2 PHE 102 11.247 -1.324 -24.783 749 HZ PHE 102 HZ PHE 102 13.076 0.208 -24.144 750 H ALA 103 H ALA 103 6.581 1.052 -26.441 751 HA ALA 103 HA ALA 103 8.593 0.403 -28.292 752 HB1 ALA 103 HB1 ALA 103 6.778 -0.589 -29.650 753 HB2 ALA 103 HB2 ALA 103 6.605 -0.990 -27.924 754 HB3 ALA 103 HB3 ALA 103 5.577 0.265 -28.654 755 H GLU 104 H GLU 104 6.163 2.957 -28.395 756 HA GLU 104 HA GLU 104 6.805 3.747 -31.117 757 HB2 GLU 104 HB2 GLU 104 4.603 4.238 -30.099 758 HB3 GLU 104 HB3 GLU 104 5.374 5.253 -28.889 759 HG2 GLU 104 HG2 GLU 104 4.404 6.646 -30.571 760 HG3 GLU 104 HG3 GLU 104 6.158 6.767 -30.681 761 H PHE 105 H PHE 105 7.802 4.760 -27.866 762 HA PHE 105 HA PHE 105 9.144 7.146 -28.813 763 HB2 PHE 105 HB2 PHE 105 9.280 5.655 -26.163 764 HB3 PHE 105 HB3 PHE 105 10.079 7.190 -26.468 765 HD1 PHE 105 HD1 PHE 105 7.489 7.872 -28.369 766 HD2 PHE 105 HD2 PHE 105 8.184 6.891 -24.269 767 HE1 PHE 105 HE1 PHE 105 5.425 9.074 -27.734 768 HE2 PHE 105 HE2 PHE 105 6.118 8.090 -23.630 769 HZ PHE 105 HZ PHE 105 4.740 9.184 -25.363 770 H PHE 106 H PHE 106 10.334 4.021 -27.503 771 HA PHE 106 HA PHE 106 13.028 4.783 -28.554 772 HB2 PHE 106 HB2 PHE 106 12.311 3.081 -26.132 773 HB3 PHE 106 HB3 PHE 106 13.944 3.363 -26.717 774 HD1 PHE 106 HD1 PHE 106 11.239 4.623 -24.719 775 HD2 PHE 106 HD2 PHE 106 14.845 5.728 -26.725 776 HE1 PHE 106 HE1 PHE 106 11.378 6.669 -23.338 777 HE2 PHE 106 HE2 PHE 106 14.990 7.774 -25.344 778 HZ PHE 106 HZ PHE 106 13.253 8.245 -23.652 779 H GLY 107 H GLY 107 10.585 2.278 -28.285 780 HA2 GLY 107 HA2 GLY 107 10.239 0.444 -29.679 781 HA3 GLY 107 HA3 GLY 107 11.599 0.963 -30.657 782 H GLY 108 H GLY 108 11.848 0.432 -27.181 783 HA2 GLY 108 HA2 GLY 108 12.942 -1.189 -25.931 784 HA3 GLY 108 HA3 GLY 108 12.691 -2.309 -27.257 785 H ARG 109 H ARG 109 14.394 0.789 -27.521 786 HA ARG 109 HA ARG 109 17.003 -0.637 -27.404 787 HB2 ARG 109 HB2 ARG 109 16.167 1.314 -29.577 788 HB3 ARG 109 HB3 ARG 109 17.804 0.725 -29.335 789 HG2 ARG 109 HG2 ARG 109 15.450 -1.085 -29.917 790 HG3 ARG 109 HG3 ARG 109 16.531 -0.409 -31.159 791 HD2 ARG 109 HD2 ARG 109 18.433 -1.462 -29.991 792 HD3 ARG 109 HD3 ARG 109 17.273 -2.231 -28.884 793 HE ARG 109 HE ARG 109 17.770 -2.893 -31.690 794 HH11 ARG 109 HH11 ARG 109 15.710 -3.294 -28.874 795 HH12 ARG 109 HH12 ARG 109 14.991 -4.779 -29.454 796 HH21 ARG 109 HH21 ARG 109 16.831 -4.822 -32.434 797 HH22 ARG 109 HH22 ARG 109 15.625 -5.646 -31.470 798 H ASN 110 H ASN 110 18.841 1.063 -27.469 799 HA ASN 110 HA ASN 110 18.311 2.981 -25.335 800 HB2 ASN 110 HB2 ASN 110 20.781 2.354 -26.978 801 HB3 ASN 110 HB3 ASN 110 20.742 3.579 -25.718 802 HD21 ASN 110 HD21 ASN 110 21.546 -0.136 -24.725 803 HD22 ASN 110 HD22 ASN 110 21.713 0.569 -26.298 Start of MODEL 10 1 H1 MET 1 1H MET 1 8.224 -4.743 -0.347 2 H2 MET 1 2H MET 1 6.644 -4.499 -0.678 3 H3 MET 1 3H MET 1 7.787 -3.691 -1.517 4 HA MET 1 HA MET 1 7.204 -3.405 1.320 5 HB2 MET 1 HB2 MET 1 9.254 -2.053 -0.472 6 HB3 MET 1 HB3 MET 1 8.814 -1.460 1.123 7 HG2 MET 1 HG2 MET 1 9.631 -3.523 2.150 8 HG3 MET 1 HG3 MET 1 9.999 -4.193 0.559 9 HE1 MET 1 HE1 MET 1 12.241 -0.704 2.594 10 HE2 MET 1 HE2 MET 1 10.530 -0.573 2.117 11 HE3 MET 1 HE3 MET 1 11.018 -1.729 3.380 12 H GLY 2 H GLY 2 7.961 -0.634 -0.482 13 HA2 GLY 2 HA2 GLY 2 5.050 0.063 -0.646 14 HA3 GLY 2 HA3 GLY 2 6.329 1.221 -0.330 15 H LYS 3 H LYS 3 4.376 1.402 -2.417 16 HA LYS 3 HA LYS 3 5.784 0.614 -4.895 17 HB2 LYS 3 HB2 LYS 3 3.056 1.897 -4.460 18 HB3 LYS 3 HB3 LYS 3 3.705 1.409 -6.020 19 HG2 LYS 3 HG2 LYS 3 3.158 -0.469 -3.701 20 HG3 LYS 3 HG3 LYS 3 2.097 -0.216 -5.095 21 HD2 LYS 3 HD2 LYS 3 3.941 -0.970 -6.599 22 HD3 LYS 3 HD3 LYS 3 4.941 -1.291 -5.173 23 HE2 LYS 3 HE2 LYS 3 3.228 -2.903 -4.361 24 HE3 LYS 3 HE3 LYS 3 2.278 -2.610 -5.818 25 HZ1 LYS 3 HZ1 LYS 3 3.625 -4.567 -6.023 26 HZ2 LYS 3 HZ2 LYS 3 4.120 -3.436 -7.116 27 HZ3 LYS 3 HZ3 LYS 3 5.008 -3.710 -5.754 28 H ASP 4 H ASP 4 7.535 2.174 -4.210 29 HA ASP 4 HA ASP 4 6.895 5.005 -4.684 30 HB2 ASP 4 HB2 ASP 4 8.532 4.372 -2.935 31 HB3 ASP 4 HB3 ASP 4 9.554 3.619 -4.151 32 H TYR 5 H TYR 5 6.479 5.523 -6.735 33 HA TYR 5 HA TYR 5 7.256 4.010 -8.973 34 HB2 TYR 5 HB2 TYR 5 6.475 6.941 -8.745 35 HB3 TYR 5 HB3 TYR 5 6.706 6.123 -10.285 36 HD1 TYR 5 HD1 TYR 5 5.428 3.883 -7.828 37 HD2 TYR 5 HD2 TYR 5 4.289 6.989 -10.560 38 HE1 TYR 5 HE1 TYR 5 3.088 3.088 -7.757 39 HE2 TYR 5 HE2 TYR 5 1.949 6.195 -10.488 40 HH TYR 5 HH TYR 5 1.059 3.208 -9.223 41 H TYR 6 H TYR 6 8.893 6.723 -7.402 42 HA TYR 6 HA TYR 6 10.779 7.068 -9.592 43 HB2 TYR 6 HB2 TYR 6 10.764 8.166 -6.751 44 HB3 TYR 6 HB3 TYR 6 11.908 8.641 -7.999 45 HD1 TYR 6 HD1 TYR 6 8.744 9.289 -6.514 46 HD2 TYR 6 HD2 TYR 6 10.925 9.605 -10.196 47 HE1 TYR 6 HE1 TYR 6 7.169 11.025 -7.299 48 HE2 TYR 6 HE2 TYR 6 9.350 11.339 -10.981 49 HH TYR 6 HH TYR 6 6.862 12.655 -8.871 50 H GLN 7 H GLN 7 10.748 5.366 -6.500 51 HA GLN 7 HA GLN 7 13.490 4.459 -6.716 52 HB2 GLN 7 HB2 GLN 7 12.177 4.465 -4.579 53 HB3 GLN 7 HB3 GLN 7 11.153 3.193 -5.231 54 HG2 GLN 7 HG2 GLN 7 12.798 2.252 -3.748 55 HG3 GLN 7 HG3 GLN 7 13.128 1.719 -5.421 56 HE21 GLN 7 HE21 GLN 7 16.450 2.645 -5.132 57 HE22 GLN 7 HE22 GLN 7 15.258 1.490 -5.628 58 H THR 8 H THR 8 10.400 3.396 -7.991 59 HA THR 8 HA THR 8 11.401 0.833 -8.926 60 HB THR 8 HB THR 8 8.938 2.421 -9.766 61 HG1 THR 8 HG1 THR 8 8.610 0.131 -8.297 62 HG21 THR 8 HG21 THR 8 8.139 0.267 -10.654 63 HG22 THR 8 HG22 THR 8 9.636 0.774 -11.470 64 HG23 THR 8 HG23 THR 8 9.689 -0.491 -10.221 65 H LEU 9 H LEU 9 11.040 4.079 -10.292 66 HA LEU 9 HA LEU 9 11.889 3.234 -12.949 67 HB2 LEU 9 HB2 LEU 9 11.540 5.955 -11.651 68 HB3 LEU 9 HB3 LEU 9 12.055 5.738 -13.326 69 HG LEU 9 HG LEU 9 9.407 4.768 -12.191 70 HD11 LEU 9 HD11 LEU 9 8.443 6.648 -13.439 71 HD12 LEU 9 HD12 LEU 9 9.561 7.205 -12.172 72 HD13 LEU 9 HD13 LEU 9 10.078 7.198 -13.876 73 HD21 LEU 9 HD21 LEU 9 8.848 4.448 -14.578 74 HD22 LEU 9 HD22 LEU 9 10.490 4.967 -15.032 75 HD23 LEU 9 HD23 LEU 9 10.255 3.462 -14.112 76 H GLY 10 H GLY 10 13.406 4.557 -10.059 77 HA2 GLY 10 HA2 GLY 10 15.675 4.070 -9.504 78 HA3 GLY 10 HA3 GLY 10 16.027 3.767 -11.194 79 H LEU 11 H LEU 11 14.497 6.557 -9.543 80 HA LEU 11 HA LEU 11 16.906 8.177 -9.898 81 HB2 LEU 11 HB2 LEU 11 16.036 9.802 -11.372 82 HB3 LEU 11 HB3 LEU 11 15.660 8.249 -12.125 83 HG LEU 11 HG LEU 11 13.690 9.945 -10.550 84 HD11 LEU 11 HD11 LEU 11 12.710 10.423 -12.749 85 HD12 LEU 11 HD12 LEU 11 14.382 11.023 -12.630 86 HD13 LEU 11 HD13 LEU 11 14.034 9.529 -13.533 87 HD21 LEU 11 HD21 LEU 11 12.034 8.365 -11.482 88 HD22 LEU 11 HD22 LEU 11 13.348 7.440 -12.250 89 HD23 LEU 11 HD23 LEU 11 13.232 7.517 -10.475 90 H ALA 12 H ALA 12 16.194 10.616 -9.370 91 HA ALA 12 HA ALA 12 15.276 10.377 -6.620 92 HB1 ALA 12 HB1 ALA 12 15.801 12.790 -6.490 93 HB2 ALA 12 HB2 ALA 12 17.145 11.860 -7.196 94 HB3 ALA 12 HB3 ALA 12 16.076 12.816 -8.247 95 H ARG 13 H ARG 13 13.547 11.434 -5.634 96 HA ARG 13 HA ARG 13 11.119 11.317 -7.150 97 HB2 ARG 13 HB2 ARG 13 11.731 12.478 -4.414 98 HB3 ARG 13 HB3 ARG 13 10.110 12.360 -5.081 99 HG2 ARG 13 HG2 ARG 13 10.283 9.927 -5.160 100 HG3 ARG 13 HG3 ARG 13 11.956 10.016 -4.558 101 HD2 ARG 13 HD2 ARG 13 11.166 11.050 -2.512 102 HD3 ARG 13 HD3 ARG 13 9.495 10.973 -3.115 103 HE ARG 13 HE ARG 13 10.408 8.381 -3.271 104 HH11 ARG 13 HH11 ARG 13 10.140 10.785 -0.723 105 HH12 ARG 13 HH12 ARG 13 9.912 9.599 0.543 106 HH21 ARG 13 HH21 ARG 13 10.111 6.853 -1.619 107 HH22 ARG 13 HH22 ARG 13 9.895 7.374 0.037 108 H GLY 14 H GLY 14 13.471 13.778 -6.750 109 HA2 GLY 14 HA2 GLY 14 11.508 15.910 -7.489 110 HA3 GLY 14 HA3 GLY 14 13.049 16.191 -6.701 111 H ALA 15 H ALA 15 12.960 13.811 -9.224 112 HA ALA 15 HA ALA 15 14.815 15.363 -10.830 113 HB1 ALA 15 HB1 ALA 15 14.762 13.408 -12.344 114 HB2 ALA 15 HB2 ALA 15 15.026 12.924 -10.651 115 HB3 ALA 15 HB3 ALA 15 13.424 12.720 -11.395 116 H SER 16 H SER 16 14.280 14.980 -13.398 117 HA SER 16 HA SER 16 11.868 16.697 -13.751 118 HB2 SER 16 HB2 SER 16 12.931 17.572 -15.718 119 HB3 SER 16 HB3 SER 16 14.100 17.621 -14.407 120 HG SER 16 HG SER 16 15.143 16.766 -16.064 121 H ASP 17 H ASP 17 10.755 16.498 -15.873 122 HA ASP 17 HA ASP 17 9.796 13.842 -16.243 123 HB2 ASP 17 HB2 ASP 17 9.566 16.358 -17.927 124 HB3 ASP 17 HB3 ASP 17 8.802 14.845 -18.396 125 H GLU 18 H GLU 18 12.332 15.689 -17.849 126 HA GLU 18 HA GLU 18 12.758 13.860 -20.017 127 HB2 GLU 18 HB2 GLU 18 13.660 16.175 -19.971 128 HB3 GLU 18 HB3 GLU 18 14.724 15.738 -18.641 129 HG2 GLU 18 HG2 GLU 18 15.910 14.154 -20.067 130 HG3 GLU 18 HG3 GLU 18 14.806 14.493 -21.398 131 H GLU 19 H GLU 19 14.279 14.163 -16.798 132 HA GLU 19 HA GLU 19 15.990 11.877 -17.139 133 HB2 GLU 19 HB2 GLU 19 14.977 13.323 -14.662 134 HB3 GLU 19 HB3 GLU 19 16.126 11.993 -14.598 135 HG2 GLU 19 HG2 GLU 19 16.540 14.643 -15.999 136 HG3 GLU 19 HG3 GLU 19 17.240 14.151 -14.458 137 H ILE 20 H ILE 20 12.692 12.316 -15.960 138 HA ILE 20 HA ILE 20 12.305 9.641 -15.020 139 HB ILE 20 HB ILE 20 10.391 11.749 -16.083 140 HG12 ILE 20 HG12 ILE 20 10.704 10.627 -13.296 141 HG13 ILE 20 HG13 ILE 20 11.576 12.039 -13.868 142 HG21 ILE 20 HG21 ILE 20 8.560 10.308 -15.286 143 HG22 ILE 20 HG22 ILE 20 9.467 9.522 -16.598 144 HG23 ILE 20 HG23 ILE 20 9.730 9.022 -14.912 145 HD11 ILE 20 HD11 ILE 20 9.593 12.681 -12.616 146 HD12 ILE 20 HD12 ILE 20 9.451 13.187 -14.317 147 HD13 ILE 20 HD13 ILE 20 8.566 11.755 -13.736 148 H LYS 21 H LYS 21 11.925 11.153 -18.214 149 HA LYS 21 HA LYS 21 10.862 8.856 -19.535 150 HB2 LYS 21 HB2 LYS 21 10.831 11.149 -20.495 151 HB3 LYS 21 HB3 LYS 21 12.580 11.101 -20.666 152 HG2 LYS 21 HG2 LYS 21 12.409 9.271 -22.277 153 HG3 LYS 21 HG3 LYS 21 10.653 9.221 -22.060 154 HD2 LYS 21 HD2 LYS 21 10.480 11.543 -22.895 155 HD3 LYS 21 HD3 LYS 21 12.237 11.598 -23.105 156 HE2 LYS 21 HE2 LYS 21 12.105 9.737 -24.727 157 HE3 LYS 21 HE3 LYS 21 10.352 9.672 -24.515 158 HZ1 LYS 21 HZ1 LYS 21 10.960 10.923 -26.452 159 HZ2 LYS 21 HZ2 LYS 21 10.224 11.914 -25.358 160 HZ3 LYS 21 HZ3 LYS 21 11.860 11.975 -25.558 161 H ARG 22 H ARG 22 14.221 10.015 -19.166 162 HA ARG 22 HA ARG 22 15.447 7.796 -20.474 163 HB2 ARG 22 HB2 ARG 22 16.646 9.881 -19.934 164 HB3 ARG 22 HB3 ARG 22 16.500 9.538 -18.218 165 HG2 ARG 22 HG2 ARG 22 17.876 7.499 -18.526 166 HG3 ARG 22 HG3 ARG 22 18.072 7.929 -20.243 167 HD2 ARG 22 HD2 ARG 22 19.984 8.647 -19.000 168 HD3 ARG 22 HD3 ARG 22 19.064 10.065 -19.553 169 HE ARG 22 HE ARG 22 18.658 10.634 -17.373 170 HH11 ARG 22 HH11 ARG 22 19.767 7.302 -17.491 171 HH12 ARG 22 HH12 ARG 22 19.913 7.158 -15.754 172 HH21 ARG 22 HH21 ARG 22 18.851 10.434 -15.119 173 HH22 ARG 22 HH22 ARG 22 19.395 8.929 -14.411 174 H ALA 23 H ALA 23 14.795 8.403 -17.004 175 HA ALA 23 HA ALA 23 15.745 6.051 -15.901 176 HB1 ALA 23 HB1 ALA 23 13.980 6.292 -14.186 177 HB2 ALA 23 HB2 ALA 23 14.738 7.855 -14.575 178 HB3 ALA 23 HB3 ALA 23 13.133 7.455 -15.232 179 H TYR 24 H TYR 24 12.636 6.522 -17.568 180 HA TYR 24 HA TYR 24 11.821 3.763 -17.160 181 HB2 TYR 24 HB2 TYR 24 10.143 5.531 -17.430 182 HB3 TYR 24 HB3 TYR 24 10.771 5.929 -19.023 183 HD1 TYR 24 HD1 TYR 24 9.282 3.103 -17.083 184 HD2 TYR 24 HD2 TYR 24 9.878 4.931 -20.919 185 HE1 TYR 24 HE1 TYR 24 7.729 1.471 -18.103 186 HE2 TYR 24 HE2 TYR 24 8.326 3.299 -21.938 187 HH TYR 24 HH TYR 24 6.948 1.600 -21.580 188 H ARG 25 H ARG 25 12.909 5.616 -20.032 189 HA ARG 25 HA ARG 25 13.233 3.731 -21.950 190 HB2 ARG 25 HB2 ARG 25 14.135 6.045 -22.067 191 HB3 ARG 25 HB3 ARG 25 15.467 5.571 -21.023 192 HG2 ARG 25 HG2 ARG 25 16.179 3.919 -22.752 193 HG3 ARG 25 HG3 ARG 25 14.899 4.552 -23.815 194 HD2 ARG 25 HD2 ARG 25 15.926 6.811 -23.526 195 HD3 ARG 25 HD3 ARG 25 17.290 6.002 -22.721 196 HE ARG 25 HE ARG 25 16.929 4.667 -25.129 197 HH11 ARG 25 HH11 ARG 25 17.651 7.948 -24.101 198 HH12 ARG 25 HH12 ARG 25 18.580 8.327 -25.535 199 HH21 ARG 25 HH21 ARG 25 18.137 5.170 -26.984 200 HH22 ARG 25 HH22 ARG 25 18.857 6.754 -27.167 201 H ARG 26 H ARG 26 15.581 4.139 -19.269 202 HA ARG 26 HA ARG 26 17.125 1.834 -19.862 203 HB2 ARG 26 HB2 ARG 26 17.894 3.551 -18.306 204 HB3 ARG 26 HB3 ARG 26 16.577 3.192 -17.201 205 HG2 ARG 26 HG2 ARG 26 17.515 0.926 -16.846 206 HG3 ARG 26 HG3 ARG 26 18.877 1.354 -17.910 207 HD2 ARG 26 HD2 ARG 26 19.438 1.603 -15.561 208 HD3 ARG 26 HD3 ARG 26 19.486 3.159 -16.420 209 HE ARG 26 HE ARG 26 16.947 2.619 -15.137 210 HH11 ARG 26 HH11 ARG 26 20.189 3.896 -14.691 211 HH12 ARG 26 HH12 ARG 26 19.738 4.912 -13.340 212 HH21 ARG 26 HH21 ARG 26 16.373 3.943 -13.384 213 HH22 ARG 26 HH22 ARG 26 17.578 4.940 -12.600 214 H GLN 27 H GLN 27 14.421 2.234 -17.531 215 HA GLN 27 HA GLN 27 14.747 -0.425 -16.502 216 HB2 GLN 27 HB2 GLN 27 12.481 1.590 -16.276 217 HB3 GLN 27 HB3 GLN 27 12.473 0.041 -15.444 218 HG2 GLN 27 HG2 GLN 27 14.526 2.234 -15.094 219 HG3 GLN 27 HG3 GLN 27 13.204 1.816 -13.968 220 HE21 GLN 27 HE21 GLN 27 15.023 -0.601 -12.286 221 HE22 GLN 27 HE22 GLN 27 13.648 0.451 -12.363 222 H ALA 28 H ALA 28 12.576 0.999 -18.918 223 HA ALA 28 HA ALA 28 10.963 -1.311 -19.327 224 HB1 ALA 28 HB1 ALA 28 10.422 -0.287 -21.514 225 HB2 ALA 28 HB2 ALA 28 10.353 0.903 -20.193 226 HB3 ALA 28 HB3 ALA 28 11.751 0.872 -21.290 227 H LEU 29 H LEU 29 14.033 -0.286 -20.805 228 HA LEU 29 HA LEU 29 14.333 -2.547 -22.520 229 HB2 LEU 29 HB2 LEU 29 16.352 -0.750 -21.142 230 HB3 LEU 29 HB3 LEU 29 16.812 -2.021 -22.279 231 HG LEU 29 HG LEU 29 14.999 0.317 -22.973 232 HD11 LEU 29 HD11 LEU 29 16.965 1.224 -24.129 233 HD12 LEU 29 HD12 LEU 29 17.239 1.087 -22.377 234 HD13 LEU 29 HD13 LEU 29 17.958 -0.105 -23.485 235 HD21 LEU 29 HD21 LEU 29 15.464 -0.421 -25.286 236 HD22 LEU 29 HD22 LEU 29 16.436 -1.775 -24.660 237 HD23 LEU 29 HD23 LEU 29 14.685 -1.716 -24.346 238 H ARG 30 H ARG 30 15.043 -2.027 -19.094 239 HA ARG 30 HA ARG 30 16.666 -4.339 -18.713 240 HB2 ARG 30 HB2 ARG 30 16.433 -2.410 -17.116 241 HB3 ARG 30 HB3 ARG 30 14.842 -3.013 -16.680 242 HG2 ARG 30 HG2 ARG 30 15.860 -5.106 -15.865 243 HG3 ARG 30 HG3 ARG 30 17.468 -4.467 -16.282 244 HD2 ARG 30 HD2 ARG 30 15.523 -3.223 -14.351 245 HD3 ARG 30 HD3 ARG 30 16.949 -4.197 -13.924 246 HE ARG 30 HE ARG 30 16.889 -1.431 -14.782 247 HH11 ARG 30 HH11 ARG 30 18.846 -4.338 -14.545 248 HH12 ARG 30 HH12 ARG 30 20.364 -3.469 -14.556 249 HH21 ARG 30 HH21 ARG 30 18.867 -0.313 -14.796 250 HH22 ARG 30 HH22 ARG 30 20.377 -1.191 -14.697 251 H TYR 31 H TYR 31 13.156 -3.827 -18.502 252 HA TYR 31 HA TYR 31 12.842 -6.723 -17.853 253 HB2 TYR 31 HB2 TYR 31 11.048 -4.320 -17.369 254 HB3 TYR 31 HB3 TYR 31 10.468 -5.973 -17.217 255 HD1 TYR 31 HD1 TYR 31 12.847 -3.482 -15.861 256 HD2 TYR 31 HD2 TYR 31 10.997 -7.316 -15.327 257 HE1 TYR 31 HE1 TYR 31 13.688 -3.565 -13.538 258 HE2 TYR 31 HE2 TYR 31 11.837 -7.399 -13.004 259 HH TYR 31 HH TYR 31 13.033 -6.377 -11.443 260 H HIS 32 H HIS 32 12.930 -4.828 -20.488 261 HA HIS 32 HA HIS 32 10.784 -5.548 -22.124 262 HB2 HIS 32 HB2 HIS 32 12.868 -4.223 -22.761 263 HB3 HIS 32 HB3 HIS 32 13.690 -5.763 -22.967 264 HD2 HIS 32 HD2 HIS 32 11.346 -3.423 -24.915 265 HE1 HIS 32 HE1 HIS 32 11.638 -7.053 -27.130 266 HE2 HIS 32 HE2 HIS 32 10.838 -4.632 -27.163 267 HA PRO 33 HA PRO 33 10.297 -9.801 -21.987 268 HB2 PRO 33 HB2 PRO 33 9.817 -9.460 -24.987 269 HB3 PRO 33 HB3 PRO 33 8.884 -10.407 -23.821 270 HG2 PRO 33 HG2 PRO 33 7.946 -8.025 -24.526 271 HG3 PRO 33 HG3 PRO 33 7.911 -8.473 -22.818 272 HD2 PRO 33 HD2 PRO 33 9.839 -6.646 -24.286 273 HD3 PRO 33 HD3 PRO 33 9.145 -6.480 -22.623 274 H ASP 34 H ASP 34 12.228 -8.398 -24.632 275 HA ASP 34 HA ASP 34 13.624 -10.947 -25.105 276 HB2 ASP 34 HB2 ASP 34 13.905 -8.187 -26.356 277 HB3 ASP 34 HB3 ASP 34 14.891 -9.570 -26.811 278 H LYS 35 H LYS 35 13.810 -8.973 -22.637 279 HA LYS 35 HA LYS 35 16.795 -9.050 -22.529 280 HB2 LYS 35 HB2 LYS 35 14.974 -6.824 -21.529 281 HB3 LYS 35 HB3 LYS 35 16.701 -6.926 -21.212 282 HG2 LYS 35 HG2 LYS 35 15.456 -6.703 -23.970 283 HG3 LYS 35 HG3 LYS 35 16.142 -5.363 -23.041 284 HD2 LYS 35 HD2 LYS 35 18.336 -6.558 -22.999 285 HD3 LYS 35 HD3 LYS 35 17.635 -7.826 -24.016 286 HE2 LYS 35 HE2 LYS 35 17.151 -6.137 -25.769 287 HE3 LYS 35 HE3 LYS 35 17.884 -4.887 -24.760 288 HZ1 LYS 35 HZ1 LYS 35 19.417 -5.719 -26.385 289 HZ2 LYS 35 HZ2 LYS 35 19.955 -6.092 -24.871 290 HZ3 LYS 35 HZ3 LYS 35 19.270 -7.260 -25.815 291 H ASN 36 H ASN 36 13.715 -9.376 -20.901 292 HA ASN 36 HA ASN 36 15.064 -10.918 -18.780 293 HB2 ASN 36 HB2 ASN 36 14.984 -8.578 -17.929 294 HB3 ASN 36 HB3 ASN 36 13.235 -8.584 -18.125 295 HD21 ASN 36 HD21 ASN 36 14.778 -9.846 -14.734 296 HD22 ASN 36 HD22 ASN 36 15.553 -8.825 -15.897 297 H LYS 37 H LYS 37 14.049 -12.739 -18.490 298 HA LYS 37 HA LYS 37 11.105 -12.797 -19.001 299 HB2 LYS 37 HB2 LYS 37 13.179 -14.870 -19.819 300 HB3 LYS 37 HB3 LYS 37 11.441 -15.117 -19.905 301 HG2 LYS 37 HG2 LYS 37 11.261 -13.229 -21.501 302 HG3 LYS 37 HG3 LYS 37 13.018 -13.026 -21.433 303 HD2 LYS 37 HD2 LYS 37 13.316 -15.340 -22.266 304 HD3 LYS 37 HD3 LYS 37 11.559 -15.536 -22.339 305 HE2 LYS 37 HE2 LYS 37 11.420 -13.680 -23.971 306 HE3 LYS 37 HE3 LYS 37 13.172 -13.483 -23.898 307 HZ1 LYS 37 HZ1 LYS 37 12.509 -14.792 -25.778 308 HZ2 LYS 37 HZ2 LYS 37 13.401 -15.717 -24.743 309 HZ3 LYS 37 HZ3 LYS 37 11.763 -15.901 -24.812 310 H GLU 38 H GLU 38 10.644 -12.620 -16.813 311 HA GLU 38 HA GLU 38 10.926 -15.157 -15.346 312 HB2 GLU 38 HB2 GLU 38 12.960 -13.895 -14.699 313 HB3 GLU 38 HB3 GLU 38 11.967 -12.528 -14.212 314 HG2 GLU 38 HG2 GLU 38 10.926 -13.886 -12.458 315 HG3 GLU 38 HG3 GLU 38 11.874 -15.283 -12.962 316 HA PRO 39 HA PRO 39 6.865 -13.882 -14.271 317 HB2 PRO 39 HB2 PRO 39 6.315 -15.882 -12.459 318 HB3 PRO 39 HB3 PRO 39 6.336 -16.160 -14.206 319 HG2 PRO 39 HG2 PRO 39 8.542 -16.665 -12.163 320 HG3 PRO 39 HG3 PRO 39 7.948 -17.752 -13.423 321 HD2 PRO 39 HD2 PRO 39 10.188 -16.262 -13.806 322 HD3 PRO 39 HD3 PRO 39 9.032 -16.577 -15.162 323 H GLY 40 H GLY 40 6.085 -12.498 -12.748 324 HA2 GLY 40 HA2 GLY 40 5.936 -11.519 -10.560 325 HA3 GLY 40 HA3 GLY 40 7.434 -12.308 -10.106 326 H ALA 41 H ALA 41 9.236 -11.604 -12.020 327 HA ALA 41 HA ALA 41 9.646 -8.786 -11.967 328 HB1 ALA 41 HB1 ALA 41 11.224 -9.194 -13.827 329 HB2 ALA 41 HB2 ALA 41 11.435 -10.375 -12.512 330 HB3 ALA 41 HB3 ALA 41 10.582 -10.843 -14.001 331 H GLU 42 H GLU 42 7.957 -10.887 -14.294 332 HA GLU 42 HA GLU 42 7.039 -8.957 -16.101 333 HB2 GLU 42 HB2 GLU 42 5.613 -11.339 -14.863 334 HB3 GLU 42 HB3 GLU 42 4.907 -10.371 -16.149 335 HG2 GLU 42 HG2 GLU 42 6.693 -10.965 -17.663 336 HG3 GLU 42 HG3 GLU 42 7.564 -11.795 -16.375 337 H GLU 43 H GLU 43 5.993 -9.583 -12.778 338 HA GLU 43 HA GLU 43 3.872 -7.567 -12.936 339 HB2 GLU 43 HB2 GLU 43 5.039 -9.078 -10.563 340 HB3 GLU 43 HB3 GLU 43 3.636 -8.021 -10.491 341 HG2 GLU 43 HG2 GLU 43 3.838 -10.545 -12.148 342 HG3 GLU 43 HG3 GLU 43 3.051 -10.409 -10.578 343 H LYS 44 H LYS 44 7.200 -7.793 -11.783 344 HA LYS 44 HA LYS 44 7.301 -5.186 -10.586 345 HB2 LYS 44 HB2 LYS 44 9.032 -6.948 -10.246 346 HB3 LYS 44 HB3 LYS 44 9.525 -6.777 -11.925 347 HG2 LYS 44 HG2 LYS 44 11.052 -5.588 -10.459 348 HG3 LYS 44 HG3 LYS 44 10.192 -4.444 -11.500 349 HD2 LYS 44 HD2 LYS 44 10.252 -3.547 -9.252 350 HD3 LYS 44 HD3 LYS 44 8.587 -4.012 -9.626 351 HE2 LYS 44 HE2 LYS 44 8.839 -6.090 -8.368 352 HE3 LYS 44 HE3 LYS 44 10.546 -5.747 -8.079 353 HZ1 LYS 44 HZ1 LYS 44 9.200 -5.172 -6.197 354 HZ2 LYS 44 HZ2 LYS 44 9.884 -3.810 -6.827 355 HZ3 LYS 44 HZ3 LYS 44 8.290 -4.132 -7.096 356 H PHE 45 H PHE 45 7.548 -6.341 -13.900 357 HA PHE 45 HA PHE 45 8.349 -3.774 -14.987 358 HB2 PHE 45 HB2 PHE 45 8.627 -6.053 -16.108 359 HB3 PHE 45 HB3 PHE 45 6.901 -6.020 -16.434 360 HD1 PHE 45 HD1 PHE 45 8.586 -2.818 -16.486 361 HD2 PHE 45 HD2 PHE 45 7.525 -6.224 -18.836 362 HE1 PHE 45 HE1 PHE 45 9.000 -1.522 -18.549 363 HE2 PHE 45 HE2 PHE 45 7.942 -4.932 -20.902 364 HZ PHE 45 HZ PHE 45 8.678 -2.579 -20.758 365 H LYS 46 H LYS 46 5.246 -5.446 -14.478 366 HA LYS 46 HA LYS 46 3.572 -3.350 -15.443 367 HB2 LYS 46 HB2 LYS 46 3.185 -5.429 -13.260 368 HB3 LYS 46 HB3 LYS 46 1.923 -4.295 -13.724 369 HG2 LYS 46 HG2 LYS 46 1.931 -5.186 -16.012 370 HG3 LYS 46 HG3 LYS 46 3.238 -6.298 -15.582 371 HD2 LYS 46 HD2 LYS 46 1.753 -7.305 -13.837 372 HD3 LYS 46 HD3 LYS 46 0.443 -6.251 -14.386 373 HE2 LYS 46 HE2 LYS 46 0.494 -7.268 -16.604 374 HE3 LYS 46 HE3 LYS 46 1.898 -8.242 -16.163 375 HZ1 LYS 46 HZ1 LYS 46 -0.126 -9.495 -16.014 376 HZ2 LYS 46 HZ2 LYS 46 0.544 -9.343 -14.515 377 HZ3 LYS 46 HZ3 LYS 46 -0.768 -8.434 -14.928 378 H GLU 47 H GLU 47 5.193 -3.844 -12.325 379 HA GLU 47 HA GLU 47 4.123 -1.550 -11.014 380 HB2 GLU 47 HB2 GLU 47 5.437 -3.372 -9.901 381 HB3 GLU 47 HB3 GLU 47 6.889 -2.783 -10.696 382 HG2 GLU 47 HG2 GLU 47 6.637 -0.618 -9.531 383 HG3 GLU 47 HG3 GLU 47 5.206 -1.240 -8.712 384 H ILE 48 H ILE 48 7.031 -1.964 -13.045 385 HA ILE 48 HA ILE 48 7.837 0.765 -13.024 386 HB ILE 48 HB ILE 48 8.182 -1.434 -15.095 387 HG12 ILE 48 HG12 ILE 48 10.221 -0.176 -13.256 388 HG13 ILE 48 HG13 ILE 48 9.281 -1.594 -12.815 389 HG21 ILE 48 HG21 ILE 48 9.856 0.027 -16.157 390 HG22 ILE 48 HG22 ILE 48 8.235 0.757 -16.224 391 HG23 ILE 48 HG23 ILE 48 9.424 1.341 -15.036 392 HD11 ILE 48 HD11 ILE 48 11.471 -2.223 -13.662 393 HD12 ILE 48 HD12 ILE 48 10.187 -2.812 -14.747 394 HD13 ILE 48 HD13 ILE 48 11.141 -1.377 -15.193 395 H ALA 49 H ALA 49 5.735 -1.016 -15.310 396 HA ALA 49 HA ALA 49 4.922 0.963 -17.018 397 HB1 ALA 49 HB1 ALA 49 2.693 -0.109 -17.054 398 HB2 ALA 49 HB2 ALA 49 4.003 -1.313 -17.057 399 HB3 ALA 49 HB3 ALA 49 3.100 -0.985 -15.561 400 H GLU 50 H GLU 50 2.823 0.321 -14.211 401 HA GLU 50 HA GLU 50 1.497 2.745 -14.150 402 HB2 GLU 50 HB2 GLU 50 0.978 2.304 -11.839 403 HB3 GLU 50 HB3 GLU 50 1.042 0.759 -12.674 404 HG2 GLU 50 HG2 GLU 50 3.160 0.223 -11.724 405 HG3 GLU 50 HG3 GLU 50 3.381 1.864 -11.118 406 H ALA 51 H ALA 51 4.761 2.059 -13.027 407 HA ALA 51 HA ALA 51 5.016 4.424 -11.413 408 HB1 ALA 51 HB1 ALA 51 7.434 3.901 -11.437 409 HB2 ALA 51 HB2 ALA 51 6.452 2.460 -11.084 410 HB3 ALA 51 HB3 ALA 51 7.150 2.685 -12.704 411 H TYR 52 H TYR 52 5.482 3.743 -14.818 412 HA TYR 52 HA TYR 52 6.353 6.569 -15.204 413 HB2 TYR 52 HB2 TYR 52 7.778 4.830 -16.260 414 HB3 TYR 52 HB3 TYR 52 6.387 4.228 -17.151 415 HD1 TYR 52 HD1 TYR 52 8.134 7.496 -16.544 416 HD2 TYR 52 HD2 TYR 52 6.166 4.897 -19.334 417 HE1 TYR 52 HE1 TYR 52 8.611 9.092 -18.369 418 HE2 TYR 52 HE2 TYR 52 6.644 6.494 -21.159 419 HH TYR 52 HH TYR 52 7.534 8.447 -21.708 420 H ASP 53 H ASP 53 4.028 4.149 -16.429 421 HA ASP 53 HA ASP 53 2.400 5.332 -18.133 422 HB2 ASP 53 HB2 ASP 53 1.787 3.314 -16.777 423 HB3 ASP 53 HB3 ASP 53 1.327 4.372 -15.450 424 H VAL 54 H VAL 54 2.377 6.356 -14.697 425 HA VAL 54 HA VAL 54 0.365 8.385 -15.270 426 HB VAL 54 HB VAL 54 0.422 8.852 -12.909 427 HG11 VAL 54 HG11 VAL 54 0.119 6.630 -11.930 428 HG12 VAL 54 HG12 VAL 54 -0.658 6.767 -13.525 429 HG13 VAL 54 HG13 VAL 54 0.885 5.896 -13.359 430 HG21 VAL 54 HG21 VAL 54 2.178 7.923 -11.433 431 HG22 VAL 54 HG22 VAL 54 3.005 7.235 -12.851 432 HG23 VAL 54 HG23 VAL 54 2.877 9.001 -12.664 433 H LEU 55 H LEU 55 3.856 8.260 -14.927 434 HA LEU 55 HA LEU 55 4.220 11.135 -14.918 435 HB2 LEU 55 HB2 LEU 55 5.946 8.719 -15.264 436 HB3 LEU 55 HB3 LEU 55 6.550 10.243 -15.922 437 HG LEU 55 HG LEU 55 7.495 10.076 -13.768 438 HD11 LEU 55 HD11 LEU 55 6.466 11.933 -12.535 439 HD12 LEU 55 HD12 LEU 55 6.571 12.279 -14.277 440 HD13 LEU 55 HD13 LEU 55 5.014 11.807 -13.554 441 HD21 LEU 55 HD21 LEU 55 6.156 9.568 -11.753 442 HD22 LEU 55 HD22 LEU 55 4.698 9.407 -12.762 443 HD23 LEU 55 HD23 LEU 55 6.040 8.253 -12.948 444 H SER 56 H SER 56 3.898 8.636 -17.388 445 HA SER 56 HA SER 56 4.374 10.551 -19.560 446 HB2 SER 56 HB2 SER 56 3.944 8.708 -21.033 447 HB3 SER 56 HB3 SER 56 4.954 8.119 -19.721 448 HG SER 56 HG SER 56 2.479 7.882 -18.939 449 H ASP 57 H ASP 57 1.783 9.678 -17.530 450 HA ASP 57 HA ASP 57 -0.155 10.861 -19.478 451 HB2 ASP 57 HB2 ASP 57 -0.502 8.398 -19.045 452 HB3 ASP 57 HB3 ASP 57 -0.767 8.773 -17.348 453 HA PRO 58 HA PRO 58 0.240 13.793 -16.208 454 HB2 PRO 58 HB2 PRO 58 -1.603 15.336 -18.073 455 HB3 PRO 58 HB3 PRO 58 -0.124 15.881 -17.269 456 HG2 PRO 58 HG2 PRO 58 0.003 15.242 -19.851 457 HG3 PRO 58 HG3 PRO 58 1.297 14.707 -18.775 458 HD2 PRO 58 HD2 PRO 58 -1.080 13.136 -19.847 459 HD3 PRO 58 HD3 PRO 58 0.645 12.618 -19.673 460 H ARG 59 H ARG 59 -2.528 12.182 -17.320 461 HA ARG 59 HA ARG 59 -4.521 13.592 -15.743 462 HB2 ARG 59 HB2 ARG 59 -4.545 10.891 -17.127 463 HB3 ARG 59 HB3 ARG 59 -5.933 11.568 -16.288 464 HG2 ARG 59 HG2 ARG 59 -5.988 13.455 -17.841 465 HG3 ARG 59 HG3 ARG 59 -4.546 12.823 -18.671 466 HD2 ARG 59 HD2 ARG 59 -7.194 11.418 -18.407 467 HD3 ARG 59 HD3 ARG 59 -6.591 12.269 -19.849 468 HE ARG 59 HE ARG 59 -4.643 10.397 -19.157 469 HH11 ARG 59 HH11 ARG 59 -8.014 10.389 -20.148 470 HH12 ARG 59 HH12 ARG 59 -7.912 8.827 -20.930 471 HH21 ARG 59 HH21 ARG 59 -4.522 8.370 -20.175 472 HH22 ARG 59 HH22 ARG 59 -5.935 7.684 -20.945 473 H LYS 60 H LYS 60 -2.606 10.616 -15.382 474 HA LYS 60 HA LYS 60 -3.807 10.083 -12.749 475 HB2 LYS 60 HB2 LYS 60 -1.607 8.691 -14.322 476 HB3 LYS 60 HB3 LYS 60 -2.154 8.168 -12.736 477 HG2 LYS 60 HG2 LYS 60 -4.400 7.745 -13.617 478 HG3 LYS 60 HG3 LYS 60 -3.901 8.336 -15.209 479 HD2 LYS 60 HD2 LYS 60 -2.118 6.535 -15.219 480 HD3 LYS 60 HD3 LYS 60 -2.852 5.890 -13.745 481 HE2 LYS 60 HE2 LYS 60 -4.977 5.542 -14.918 482 HE3 LYS 60 HE3 LYS 60 -4.313 6.268 -16.384 483 HZ1 LYS 60 HZ1 LYS 60 -4.251 3.886 -16.474 484 HZ2 LYS 60 HZ2 LYS 60 -2.713 4.483 -16.475 485 HZ3 LYS 60 HZ3 LYS 60 -3.333 3.802 -15.106 486 H ARG 61 H ARG 61 -0.564 10.980 -14.026 487 HA ARG 61 HA ARG 61 0.899 11.837 -11.988 488 HB2 ARG 61 HB2 ARG 61 1.110 12.694 -14.318 489 HB3 ARG 61 HB3 ARG 61 -0.219 13.802 -14.016 490 HG2 ARG 61 HG2 ARG 61 1.112 14.909 -12.254 491 HG3 ARG 61 HG3 ARG 61 2.464 13.808 -12.613 492 HD2 ARG 61 HD2 ARG 61 1.181 15.561 -14.684 493 HD3 ARG 61 HD3 ARG 61 2.552 16.078 -13.675 494 HE ARG 61 HE ARG 61 2.567 13.992 -15.761 495 HH11 ARG 61 HH11 ARG 61 4.293 15.869 -13.346 496 HH12 ARG 61 HH12 ARG 61 5.874 15.451 -13.967 497 HH21 ARG 61 HH21 ARG 61 4.624 13.455 -16.560 498 HH22 ARG 61 HH22 ARG 61 6.062 14.084 -15.786 499 H GLU 62 H GLU 62 -2.282 13.285 -12.716 500 HA GLU 62 HA GLU 62 -2.109 15.249 -10.622 501 HB2 GLU 62 HB2 GLU 62 -4.417 14.144 -12.257 502 HB3 GLU 62 HB3 GLU 62 -4.657 15.360 -11.010 503 HG2 GLU 62 HG2 GLU 62 -2.849 15.673 -13.417 504 HG3 GLU 62 HG3 GLU 62 -4.492 16.295 -13.288 505 H ILE 63 H ILE 63 -3.279 11.930 -10.765 506 HA ILE 63 HA ILE 63 -4.162 11.991 -7.974 507 HB ILE 63 HB ILE 63 -3.686 9.712 -9.936 508 HG12 ILE 63 HG12 ILE 63 -6.267 10.745 -8.747 509 HG13 ILE 63 HG13 ILE 63 -5.629 11.280 -10.293 510 HG21 ILE 63 HG21 ILE 63 -4.739 8.262 -8.248 511 HG22 ILE 63 HG22 ILE 63 -3.220 8.957 -7.637 512 HG23 ILE 63 HG23 ILE 63 -4.781 9.621 -7.101 513 HD11 ILE 63 HD11 ILE 63 -7.308 9.547 -10.590 514 HD12 ILE 63 HD12 ILE 63 -5.715 8.975 -11.142 515 HD13 ILE 63 HD13 ILE 63 -6.363 8.432 -9.575 516 H PHE 64 H PHE 64 -1.611 10.086 -9.618 517 HA PHE 64 HA PHE 64 -0.255 9.270 -7.326 518 HB2 PHE 64 HB2 PHE 64 0.390 8.295 -9.394 519 HB3 PHE 64 HB3 PHE 64 0.709 9.855 -10.137 520 HD1 PHE 64 HD1 PHE 64 1.855 8.003 -7.083 521 HD2 PHE 64 HD2 PHE 64 2.918 10.316 -10.513 522 HE1 PHE 64 HE1 PHE 64 4.242 7.801 -6.476 523 HE2 PHE 64 HE2 PHE 64 5.307 10.114 -9.912 524 HZ PHE 64 HZ PHE 64 5.969 8.857 -7.892 525 H ASP 65 H ASP 65 0.846 11.990 -9.405 526 HA ASP 65 HA ASP 65 2.981 12.614 -7.630 527 HB2 ASP 65 HB2 ASP 65 2.810 13.219 -10.092 528 HB3 ASP 65 HB3 ASP 65 1.691 14.498 -9.641 529 H ARG 66 H ARG 66 -0.248 14.060 -8.033 530 HA ARG 66 HA ARG 66 0.132 16.180 -6.157 531 HB2 ARG 66 HB2 ARG 66 -1.731 15.989 -7.850 532 HB3 ARG 66 HB3 ARG 66 -2.470 14.767 -6.826 533 HG2 ARG 66 HG2 ARG 66 -2.806 16.362 -5.049 534 HG3 ARG 66 HG3 ARG 66 -1.891 17.603 -5.939 535 HD2 ARG 66 HD2 ARG 66 -4.412 16.296 -6.931 536 HD3 ARG 66 HD3 ARG 66 -4.340 17.853 -6.073 537 HE ARG 66 HE ARG 66 -3.595 17.308 -8.828 538 HH11 ARG 66 HH11 ARG 66 -3.234 19.486 -6.094 539 HH12 ARG 66 HH12 ARG 66 -2.799 20.860 -7.086 540 HH21 ARG 66 HH21 ARG 66 -3.028 19.099 -10.104 541 HH22 ARG 66 HH22 ARG 66 -2.681 20.641 -9.356 542 H TYR 67 H TYR 67 -1.424 12.969 -5.782 543 HA TYR 67 HA TYR 67 -1.524 13.509 -2.848 544 HB2 TYR 67 HB2 TYR 67 -3.207 11.645 -4.574 545 HB3 TYR 67 HB3 TYR 67 -3.336 11.779 -2.825 546 HD1 TYR 67 HD1 TYR 67 -4.716 12.823 -5.838 547 HD2 TYR 67 HD2 TYR 67 -3.615 14.324 -1.973 548 HE1 TYR 67 HE1 TYR 67 -6.331 14.677 -6.098 549 HE2 TYR 67 HE2 TYR 67 -5.230 16.176 -2.231 550 HH TYR 67 HH TYR 67 -6.932 16.974 -3.463 551 H GLY 68 H GLY 68 -1.193 10.740 -5.102 552 HA2 GLY 68 HA2 GLY 68 1.204 9.699 -4.522 553 HA3 GLY 68 HA3 GLY 68 0.370 9.295 -3.033 554 H GLU 69 H GLU 69 0.923 7.065 -3.777 555 HA GLU 69 HA GLU 69 -0.341 6.104 -6.228 556 HB2 GLU 69 HB2 GLU 69 1.040 4.477 -4.060 557 HB3 GLU 69 HB3 GLU 69 0.731 3.987 -5.720 558 HG2 GLU 69 HG2 GLU 69 2.957 4.533 -5.795 559 HG3 GLU 69 HG3 GLU 69 2.209 6.025 -6.359 560 H GLU 70 H GLU 70 -0.989 6.022 -2.778 561 HA GLU 70 HA GLU 70 -2.801 3.828 -2.756 562 HB2 GLU 70 HB2 GLU 70 -2.598 6.286 -0.974 563 HB3 GLU 70 HB3 GLU 70 -3.690 4.946 -0.652 564 HG2 GLU 70 HG2 GLU 70 -1.813 3.414 -0.438 565 HG3 GLU 70 HG3 GLU 70 -0.684 4.694 -0.873 566 H GLY 71 H GLY 71 -3.158 7.131 -3.801 567 HA2 GLY 71 HA2 GLY 71 -6.089 7.100 -3.696 568 HA3 GLY 71 HA3 GLY 71 -5.077 8.374 -4.352 569 H LEU 72 H LEU 72 -3.759 5.764 -5.732 570 HA LEU 72 HA LEU 72 -5.482 6.024 -8.146 571 HB2 LEU 72 HB2 LEU 72 -3.104 6.627 -8.405 572 HB3 LEU 72 HB3 LEU 72 -2.627 5.023 -7.841 573 HG LEU 72 HG LEU 72 -3.605 3.995 -9.833 574 HD11 LEU 72 HD11 LEU 72 -4.539 5.387 -11.626 575 HD12 LEU 72 HD12 LEU 72 -5.485 5.526 -10.126 576 HD13 LEU 72 HD13 LEU 72 -4.367 6.828 -10.597 577 HD21 LEU 72 HD21 LEU 72 -2.066 4.971 -11.503 578 HD22 LEU 72 HD22 LEU 72 -1.859 6.407 -10.471 579 HD23 LEU 72 HD23 LEU 72 -1.276 4.820 -9.914 580 H LYS 73 H LYS 73 -4.182 3.730 -5.826 581 HA LYS 73 HA LYS 73 -5.469 1.474 -7.226 582 HB2 LYS 73 HB2 LYS 73 -3.315 1.108 -6.069 583 HB3 LYS 73 HB3 LYS 73 -4.032 1.614 -4.545 584 HG2 LYS 73 HG2 LYS 73 -5.525 -0.312 -4.556 585 HG3 LYS 73 HG3 LYS 73 -4.931 -0.797 -6.151 586 HD2 LYS 73 HD2 LYS 73 -2.659 -1.090 -5.219 587 HD3 LYS 73 HD3 LYS 73 -3.250 -0.603 -3.623 588 HE2 LYS 73 HE2 LYS 73 -4.814 -2.526 -3.623 589 HE3 LYS 73 HE3 LYS 73 -4.207 -3.018 -5.207 590 HZ1 LYS 73 HZ1 LYS 73 -3.162 -4.238 -3.443 591 HZ2 LYS 73 HZ2 LYS 73 -2.040 -3.311 -4.219 592 HZ3 LYS 73 HZ3 LYS 73 -2.608 -2.853 -2.740 593 H GLY 74 H GLY 74 -6.057 3.665 -4.545 594 HA2 GLY 74 HA2 GLY 74 -8.112 3.980 -3.407 595 HA3 GLY 74 HA3 GLY 74 -8.749 2.525 -4.148 596 H SER 75 H SER 75 -5.684 2.937 -2.371 597 HA SER 75 HA SER 75 -6.686 0.917 -0.407 598 HB2 SER 75 HB2 SER 75 -4.378 0.101 -0.243 599 HB3 SER 75 HB3 SER 75 -4.983 -0.028 -1.888 600 HG SER 75 HG SER 75 -3.580 2.225 -0.998 601 H GLY 76 H GLY 76 -6.456 4.019 -0.516 602 HA2 GLY 76 HA2 GLY 76 -4.455 4.502 1.620 603 HA3 GLY 76 HA3 GLY 76 -5.250 5.724 0.646 604 HA PRO 77 HA PRO 77 -7.192 6.522 4.517 605 HB2 PRO 77 HB2 PRO 77 -8.964 8.157 2.644 606 HB3 PRO 77 HB3 PRO 77 -8.291 8.619 4.213 607 HG2 PRO 77 HG2 PRO 77 -7.084 9.514 2.020 608 HG3 PRO 77 HG3 PRO 77 -6.090 8.898 3.344 609 HD2 PRO 77 HD2 PRO 77 -6.868 7.547 0.739 610 HD3 PRO 77 HD3 PRO 77 -5.291 7.499 1.626 611 H SER 78 H SER 78 -9.116 5.885 1.563 612 HA SER 78 HA SER 78 -11.054 4.362 3.248 613 HB2 SER 78 HB2 SER 78 -12.582 4.530 1.327 614 HB3 SER 78 HB3 SER 78 -12.084 6.115 1.898 615 HG SER 78 HG SER 78 -12.028 5.655 -0.419 616 H GLY 79 H GLY 79 -8.527 3.252 2.728 617 HA2 GLY 79 HA2 GLY 79 -8.204 1.704 0.427 618 HA3 GLY 79 HA3 GLY 79 -7.610 1.243 2.012 619 H GLY 80 H GLY 80 -9.098 -0.092 -0.405 620 HA2 GLY 80 HA2 GLY 80 -10.086 -2.334 0.034 621 HA3 GLY 80 HA3 GLY 80 -11.058 -1.595 1.292 622 H SER 81 H SER 81 -11.510 0.857 -0.364 623 HA SER 81 HA SER 81 -13.836 -0.070 -1.835 624 HB2 SER 81 HB2 SER 81 -14.192 2.274 -2.338 625 HB3 SER 81 HB3 SER 81 -13.765 2.100 -0.644 626 HG SER 81 HG SER 81 -11.826 2.892 -1.010 627 H GLY 82 H GLY 82 -10.528 0.800 -2.623 628 HA2 GLY 82 HA2 GLY 82 -9.331 0.530 -4.593 629 HA3 GLY 82 HA3 GLY 82 -10.480 -0.739 -4.972 630 H GLY 83 H GLY 83 -10.434 2.859 -4.830 631 HA2 GLY 83 HA2 GLY 83 -11.490 4.434 -6.166 632 HA3 GLY 83 HA3 GLY 83 -11.372 3.293 -7.491 633 H GLY 84 H GLY 84 -13.187 2.344 -8.230 634 HA2 GLY 84 HA2 GLY 84 -15.701 2.808 -6.678 635 HA3 GLY 84 HA3 GLY 84 -15.609 2.637 -8.421 636 H ALA 85 H ALA 85 -13.510 0.492 -6.820 637 HA ALA 85 HA ALA 85 -14.924 -1.802 -7.797 638 HB1 ALA 85 HB1 ALA 85 -13.197 -3.101 -6.594 639 HB2 ALA 85 HB2 ALA 85 -12.483 -1.777 -7.546 640 HB3 ALA 85 HB3 ALA 85 -12.655 -1.614 -5.782 641 H ASN 86 H ASN 86 -14.890 -0.126 -4.721 642 HA ASN 86 HA ASN 86 -16.341 -0.286 -2.940 643 HB2 ASN 86 HB2 ASN 86 -17.841 -2.106 -4.847 644 HB3 ASN 86 HB3 ASN 86 -18.440 -1.663 -3.254 645 HD21 ASN 86 HD21 ASN 86 -19.742 0.612 -5.956 646 HD22 ASN 86 HD22 ASN 86 -19.628 -1.110 -5.818 647 H GLY 87 H GLY 87 -16.970 -3.597 -3.995 648 HA2 GLY 87 HA2 GLY 87 -15.403 -4.543 -1.617 649 HA3 GLY 87 HA3 GLY 87 -16.941 -5.245 -2.084 650 H THR 88 H THR 88 -14.976 -4.264 -4.727 651 HA THR 88 HA THR 88 -14.601 -7.139 -5.385 652 HB THR 88 HB THR 88 -14.555 -4.686 -7.197 653 HG1 THR 88 HG1 THR 88 -16.649 -4.968 -6.889 654 HG21 THR 88 HG21 THR 88 -14.601 -6.336 -9.025 655 HG22 THR 88 HG22 THR 88 -13.139 -6.531 -8.030 656 HG23 THR 88 HG23 THR 88 -14.501 -7.659 -7.842 657 H SER 89 H SER 89 -12.674 -8.024 -5.927 658 HA SER 89 HA SER 89 -10.244 -6.865 -5.040 659 HB2 SER 89 HB2 SER 89 -10.488 -9.261 -5.383 660 HB3 SER 89 HB3 SER 89 -10.767 -9.029 -7.101 661 HG SER 89 HG SER 89 -8.695 -9.499 -6.942 662 H PHE 90 H PHE 90 -8.490 -5.924 -6.133 663 HA PHE 90 HA PHE 90 -8.979 -4.696 -8.736 664 HB2 PHE 90 HB2 PHE 90 -10.555 -3.445 -7.244 665 HB3 PHE 90 HB3 PHE 90 -9.197 -2.975 -6.234 666 HD1 PHE 90 HD1 PHE 90 -10.716 -2.607 -9.581 667 HD2 PHE 90 HD2 PHE 90 -7.736 -1.205 -6.859 668 HE1 PHE 90 HE1 PHE 90 -10.331 -0.635 -11.021 669 HE2 PHE 90 HE2 PHE 90 -7.349 0.770 -8.296 670 HZ PHE 90 HZ PHE 90 -8.647 1.053 -10.379 671 H SER 91 H SER 91 -7.053 -4.504 -9.617 672 HA SER 91 HA SER 91 -4.758 -3.796 -7.844 673 HB2 SER 91 HB2 SER 91 -3.315 -4.745 -9.510 674 HB3 SER 91 HB3 SER 91 -4.591 -5.908 -9.181 675 HG SER 91 HG SER 91 -4.405 -4.103 -11.329 676 H TYR 92 H TYR 92 -3.085 -2.384 -8.833 677 HA TYR 92 HA TYR 92 -3.935 0.065 -9.834 678 HB2 TYR 92 HB2 TYR 92 -1.353 -1.472 -10.243 679 HB3 TYR 92 HB3 TYR 92 -1.585 0.127 -10.937 680 HD1 TYR 92 HD1 TYR 92 -0.753 -1.750 -7.990 681 HD2 TYR 92 HD2 TYR 92 -2.123 2.067 -9.388 682 HE1 TYR 92 HE1 TYR 92 -0.070 -0.720 -5.849 683 HE2 TYR 92 HE2 TYR 92 -1.439 3.097 -7.247 684 HH TYR 92 HH TYR 92 -0.020 1.144 -4.637 685 H THR 93 H THR 93 -4.470 0.955 -11.737 686 HA THR 93 HA THR 93 -5.251 -0.652 -13.958 687 HB THR 93 HB THR 93 -4.605 2.320 -13.794 688 HG1 THR 93 HG1 THR 93 -6.922 0.726 -13.480 689 HG21 THR 93 HG21 THR 93 -5.847 2.509 -15.914 690 HG22 THR 93 HG22 THR 93 -4.399 1.494 -16.113 691 HG23 THR 93 HG23 THR 93 -6.004 0.738 -15.984 692 H PHE 94 H PHE 94 -3.285 -2.016 -14.050 693 HA PHE 94 HA PHE 94 -0.959 -0.912 -15.395 694 HB2 PHE 94 HB2 PHE 94 -1.951 -3.778 -15.130 695 HB3 PHE 94 HB3 PHE 94 -0.395 -3.318 -15.801 696 HD1 PHE 94 HD1 PHE 94 -1.654 -4.781 -13.088 697 HD2 PHE 94 HD2 PHE 94 0.651 -1.314 -14.041 698 HE1 PHE 94 HE1 PHE 94 -0.668 -4.817 -10.822 699 HE2 PHE 94 HE2 PHE 94 1.642 -1.347 -11.776 700 HZ PHE 94 HZ PHE 94 0.980 -3.098 -10.165 701 H HIS 95 H HIS 95 -4.126 -1.770 -16.370 702 HA HIS 95 HA HIS 95 -3.858 -2.511 -19.053 703 HB2 HIS 95 HB2 HIS 95 -6.035 -2.252 -17.945 704 HB3 HIS 95 HB3 HIS 95 -5.806 -0.512 -17.850 705 HD2 HIS 95 HD2 HIS 95 -6.782 0.903 -20.132 706 HE1 HIS 95 HE1 HIS 95 -7.223 -2.552 -22.566 707 H GLY 96 H GLY 96 -4.047 0.897 -17.894 708 HA2 GLY 96 HA2 GLY 96 -2.825 2.170 -20.072 709 HA3 GLY 96 HA3 GLY 96 -2.612 2.649 -18.399 710 H ASP 97 H ASP 97 -1.303 0.784 -21.068 711 HA ASP 97 HA ASP 97 1.096 0.112 -19.420 712 HB2 ASP 97 HB2 ASP 97 -0.194 -1.825 -20.355 713 HB3 ASP 97 HB3 ASP 97 0.108 -1.216 -21.976 714 HA PRO 98 HA PRO 98 2.904 3.041 -22.198 715 HB2 PRO 98 HB2 PRO 98 5.028 3.764 -20.679 716 HB3 PRO 98 HB3 PRO 98 3.387 4.243 -20.223 717 HG2 PRO 98 HG2 PRO 98 5.060 1.917 -19.180 718 HG3 PRO 98 HG3 PRO 98 4.147 3.111 -18.251 719 HD2 PRO 98 HD2 PRO 98 3.138 0.622 -18.881 720 HD3 PRO 98 HD3 PRO 98 2.088 2.080 -18.663 721 H HIS 99 H HIS 99 3.467 -0.030 -21.964 722 HA HIS 99 HA HIS 99 6.244 -0.129 -22.982 723 HB2 HIS 99 HB2 HIS 99 5.355 -1.940 -21.511 724 HB3 HIS 99 HB3 HIS 99 4.163 -2.332 -22.742 725 HD2 HIS 99 HD2 HIS 99 5.007 -4.347 -24.350 726 HE1 HIS 99 HE1 HIS 99 9.203 -3.765 -23.891 727 H ALA 100 H ALA 100 2.911 -0.481 -24.187 728 HA ALA 100 HA ALA 100 3.553 -0.788 -26.928 729 HB1 ALA 100 HB1 ALA 100 1.356 0.265 -27.356 730 HB2 ALA 100 HB2 ALA 100 1.261 -0.958 -26.066 731 HB3 ALA 100 HB3 ALA 100 1.276 0.772 -25.653 732 H MET 101 H MET 101 3.048 2.217 -25.048 733 HA MET 101 HA MET 101 3.832 3.995 -27.127 734 HB2 MET 101 HB2 MET 101 3.935 4.234 -24.101 735 HB3 MET 101 HB3 MET 101 4.364 5.558 -25.175 736 HG2 MET 101 HG2 MET 101 2.047 5.344 -26.190 737 HG3 MET 101 HG3 MET 101 1.663 4.225 -24.880 738 HE1 MET 101 HE1 MET 101 1.758 6.409 -21.706 739 HE2 MET 101 HE2 MET 101 1.240 4.869 -22.436 740 HE3 MET 101 HE3 MET 101 2.973 5.262 -22.319 741 H PHE 102 H PHE 102 5.720 2.287 -24.655 742 HA PHE 102 HA PHE 102 8.245 3.440 -25.247 743 HB2 PHE 102 HB2 PHE 102 7.827 1.984 -23.291 744 HB3 PHE 102 HB3 PHE 102 7.586 0.605 -24.352 745 HD1 PHE 102 HD1 PHE 102 10.155 3.286 -23.825 746 HD2 PHE 102 HD2 PHE 102 9.346 -0.848 -24.546 747 HE1 PHE 102 HE1 PHE 102 12.577 2.797 -23.737 748 HE2 PHE 102 HE2 PHE 102 11.767 -1.340 -24.455 749 HZ PHE 102 HZ PHE 102 13.383 0.484 -24.053 750 H ALA 103 H ALA 103 6.687 0.506 -26.583 751 HA ALA 103 HA ALA 103 8.656 -0.123 -28.497 752 HB1 ALA 103 HB1 ALA 103 6.831 -1.239 -29.738 753 HB2 ALA 103 HB2 ALA 103 6.755 -1.591 -27.995 754 HB3 ALA 103 HB3 ALA 103 5.638 -0.409 -28.715 755 H GLU 104 H GLU 104 6.128 2.330 -28.549 756 HA GLU 104 HA GLU 104 6.576 3.042 -31.330 757 HB2 GLU 104 HB2 GLU 104 5.167 4.462 -29.038 758 HB3 GLU 104 HB3 GLU 104 5.249 5.112 -30.670 759 HG2 GLU 104 HG2 GLU 104 4.025 3.211 -31.543 760 HG3 GLU 104 HG3 GLU 104 4.046 2.427 -29.965 761 H PHE 105 H PHE 105 7.673 4.270 -28.179 762 HA PHE 105 HA PHE 105 8.983 6.590 -29.280 763 HB2 PHE 105 HB2 PHE 105 9.349 5.150 -26.624 764 HB3 PHE 105 HB3 PHE 105 10.091 6.691 -27.025 765 HD1 PHE 105 HD1 PHE 105 7.430 7.442 -28.692 766 HD2 PHE 105 HD2 PHE 105 8.303 6.254 -24.682 767 HE1 PHE 105 HE1 PHE 105 5.406 8.623 -27.902 768 HE2 PHE 105 HE2 PHE 105 6.278 7.431 -23.889 769 HZ PHE 105 HZ PHE 105 4.830 8.618 -25.501 770 H PHE 106 H PHE 106 10.227 3.446 -28.077 771 HA PHE 106 HA PHE 106 12.852 4.185 -29.308 772 HB2 PHE 106 HB2 PHE 106 12.309 2.619 -26.753 773 HB3 PHE 106 HB3 PHE 106 13.896 2.840 -27.474 774 HD1 PHE 106 HD1 PHE 106 11.301 4.311 -25.435 775 HD2 PHE 106 HD2 PHE 106 14.890 5.129 -27.602 776 HE1 PHE 106 HE1 PHE 106 11.569 6.428 -24.187 777 HE2 PHE 106 HE2 PHE 106 15.164 7.245 -26.355 778 HZ PHE 106 HZ PHE 106 13.501 7.896 -24.648 779 H GLY 107 H GLY 107 10.472 1.668 -28.688 780 HA2 GLY 107 HA2 GLY 107 10.020 -0.197 -30.035 781 HA3 GLY 107 HA3 GLY 107 11.410 0.193 -31.030 782 H GLY 108 H GLY 108 11.647 -0.058 -27.530 783 HA2 GLY 108 HA2 GLY 108 12.593 -1.673 -26.145 784 HA3 GLY 108 HA3 GLY 108 12.398 -2.849 -27.432 785 H ARG 109 H ARG 109 14.092 0.161 -28.019 786 HA ARG 109 HA ARG 109 16.692 -1.308 -27.897 787 HB2 ARG 109 HB2 ARG 109 15.853 0.791 -29.927 788 HB3 ARG 109 HB3 ARG 109 17.443 0.049 -29.822 789 HG2 ARG 109 HG2 ARG 109 16.595 -2.080 -30.488 790 HG3 ARG 109 HG3 ARG 109 14.910 -1.528 -30.324 791 HD2 ARG 109 HD2 ARG 109 16.924 -0.410 -32.259 792 HD3 ARG 109 HD3 ARG 109 15.678 -1.619 -32.645 793 HE ARG 109 HE ARG 109 14.379 0.564 -31.469 794 HH11 ARG 109 HH11 ARG 109 16.258 -0.131 -34.354 795 HH12 ARG 109 HH12 ARG 109 15.451 1.082 -35.323 796 HH21 ARG 109 HH21 ARG 109 13.339 2.135 -32.737 797 HH22 ARG 109 HH22 ARG 109 13.800 2.365 -34.409 798 H ASN 110 H ASN 110 18.592 0.097 -27.662 799 HA ASN 110 HA ASN 110 17.947 2.380 -25.862 800 HB2 ASN 110 HB2 ASN 110 19.387 0.536 -24.985 801 HB3 ASN 110 HB3 ASN 110 20.571 0.899 -26.232 802 HD21 ASN 110 HD21 ASN 110 21.296 2.625 -22.946 803 HD22 ASN 110 HD22 ASN 110 20.823 1.004 -23.331
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