NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575198 | 2m08 | 18801 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 3.045 -0.434 -1.075 3 HA3 GLY 1 HA3 GLY 1 1.541 -0.603 -1.969 4 HA PRO 2 HA PRO 2 3.605 3.430 -3.098 5 HB2 PRO 2 HB2 PRO 2 3.596 2.989 -5.777 6 HB3 PRO 2 HB3 PRO 2 4.911 2.460 -4.721 7 HG2 PRO 2 HG2 PRO 2 2.611 0.887 -5.815 8 HG3 PRO 2 HG3 PRO 2 4.319 0.426 -5.680 9 HD2 PRO 2 HD2 PRO 2 2.439 -0.412 -3.920 10 HD3 PRO 2 HD3 PRO 2 4.125 -0.116 -3.448 11 H SER 3 H SER 3 1.938 4.798 -2.699 12 HA SER 3 HA SER 3 -0.490 4.588 -4.327 13 HB2 SER 3 HB2 SER 3 0.129 6.099 -1.785 14 HB3 SER 3 HB3 SER 3 -1.369 6.317 -2.690 15 HG SER 3 HG SER 3 -1.400 4.724 -0.929 16 H ASN 4 H ASN 4 -0.015 5.526 -6.258 17 HA ASN 4 HA ASN 4 1.350 8.086 -6.352 18 HB2 ASN 4 HB2 ASN 4 0.391 6.131 -8.424 19 HB3 ASN 4 HB3 ASN 4 0.860 7.766 -8.884 20 HD21 ASN 4 HD21 ASN 4 2.174 5.449 -6.544 21 HD22 ASN 4 HD22 ASN 4 3.776 5.446 -7.190 22 H LYS 5 H LYS 5 -1.846 6.758 -7.103 23 HA LYS 5 HA LYS 5 -2.896 9.512 -7.094 24 HB2 LYS 5 HB2 LYS 5 -4.742 8.256 -8.591 25 HB3 LYS 5 HB3 LYS 5 -3.340 9.069 -9.276 26 HG2 LYS 5 HG2 LYS 5 -2.145 6.945 -9.372 27 HG3 LYS 5 HG3 LYS 5 -3.543 6.125 -8.672 28 HD2 LYS 5 HD2 LYS 5 -4.579 6.019 -10.647 29 HD3 LYS 5 HD3 LYS 5 -4.263 7.723 -10.984 30 HE2 LYS 5 HE2 LYS 5 -2.137 5.619 -11.265 31 HE3 LYS 5 HE3 LYS 5 -3.255 5.996 -12.575 32 HZ1 LYS 5 HZ1 LYS 5 -2.029 8.322 -11.418 33 HZ2 LYS 5 HZ2 LYS 5 -2.173 7.872 -13.042 34 HZ3 LYS 5 HZ3 LYS 5 -0.907 7.258 -12.103 35 H ILE 6 H ILE 6 -5.194 9.664 -6.483 36 HA ILE 6 HA ILE 6 -6.289 7.430 -4.984 37 HB ILE 6 HB ILE 6 -6.620 8.756 -2.934 38 HG12 ILE 6 HG12 ILE 6 -4.548 10.708 -3.848 39 HG13 ILE 6 HG13 ILE 6 -6.219 10.955 -4.344 40 HG21 ILE 6 HG21 ILE 6 -3.685 8.702 -3.554 41 HG22 ILE 6 HG22 ILE 6 -4.498 8.358 -2.028 42 HG23 ILE 6 HG23 ILE 6 -4.624 7.221 -3.370 43 HD11 ILE 6 HD11 ILE 6 -5.755 12.229 -2.361 44 HD12 ILE 6 HD12 ILE 6 -6.888 10.934 -1.975 45 HD13 ILE 6 HD13 ILE 6 -5.190 10.784 -1.523 46 H LYS 7 H LYS 7 -8.506 7.713 -4.407 47 HA LYS 7 HA LYS 7 -9.955 9.300 -6.310 48 HB2 LYS 7 HB2 LYS 7 -10.475 7.026 -4.671 49 HB3 LYS 7 HB3 LYS 7 -11.693 8.244 -4.313 50 HG2 LYS 7 HG2 LYS 7 -11.724 8.353 -6.993 51 HG3 LYS 7 HG3 LYS 7 -11.244 6.670 -6.764 52 HD2 LYS 7 HD2 LYS 7 -13.459 6.303 -6.608 53 HD3 LYS 7 HD3 LYS 7 -13.257 6.890 -4.955 54 HE2 LYS 7 HE2 LYS 7 -13.796 9.171 -5.742 55 HE3 LYS 7 HE3 LYS 7 -14.082 8.521 -7.356 56 HZ1 LYS 7 HZ1 LYS 7 -16.030 8.853 -5.654 57 HZ2 LYS 7 HZ2 LYS 7 -15.536 7.329 -5.112 58 HZ3 LYS 7 HZ3 LYS 7 -16.018 7.539 -6.720 59 H CYS 8 H CYS 8 -11.021 11.178 -6.008 60 HA CYS 8 HA CYS 8 -11.727 12.177 -3.426 61 HB2 CYS 8 HB2 CYS 8 -10.278 14.138 -3.402 62 HB3 CYS 8 HB3 CYS 8 -9.310 12.669 -3.413 63 HG CYS 8 HG CYS 8 -9.192 12.997 -6.398 64 H SER 9 H SER 9 -12.722 14.358 -3.567 65 HA SER 9 HA SER 9 -13.794 14.862 -6.267 66 HB2 SER 9 HB2 SER 9 -15.288 15.253 -3.665 67 HB3 SER 9 HB3 SER 9 -15.937 15.411 -5.298 68 HG SER 9 HG SER 9 -14.752 12.983 -4.617 69 H HIS 10 H HIS 10 -15.211 17.156 -5.749 70 HA HIS 10 HA HIS 10 -13.794 19.113 -4.288 71 HB2 HIS 10 HB2 HIS 10 -12.853 20.397 -6.188 72 HB3 HIS 10 HB3 HIS 10 -12.076 18.830 -5.981 73 HD1 HIS 10 HD1 HIS 10 -13.325 20.925 -8.544 74 HD2 HIS 10 HD2 HIS 10 -13.435 16.832 -7.838 75 HE1 HIS 10 HE1 HIS 10 -13.804 19.870 -10.776 76 H ILE 11 H ILE 11 -14.906 21.037 -4.191 77 HA ILE 11 HA ILE 11 -17.131 21.452 -6.046 78 HB ILE 11 HB ILE 11 -17.437 21.388 -3.043 79 HG12 ILE 11 HG12 ILE 11 -18.836 19.774 -5.185 80 HG13 ILE 11 HG13 ILE 11 -17.473 19.190 -4.237 81 HG21 ILE 11 HG21 ILE 11 -18.929 22.798 -5.101 82 HG22 ILE 11 HG22 ILE 11 -19.942 21.717 -4.145 83 HG23 ILE 11 HG23 ILE 11 -18.986 22.964 -3.346 84 HD11 ILE 11 HD11 ILE 11 -19.496 18.326 -3.308 85 HD12 ILE 11 HD12 ILE 11 -18.833 19.520 -2.191 86 HD13 ILE 11 HD13 ILE 11 -20.202 19.940 -3.222 87 H LEU 12 H LEU 12 -17.298 23.513 -6.656 88 HA LEU 12 HA LEU 12 -15.798 25.528 -5.127 89 HB2 LEU 12 HB2 LEU 12 -16.338 25.103 -8.005 90 HB3 LEU 12 HB3 LEU 12 -16.290 26.774 -7.445 91 HG LEU 12 HG LEU 12 -14.137 26.139 -8.331 92 HD11 LEU 12 HD11 LEU 12 -13.829 26.164 -5.346 93 HD12 LEU 12 HD12 LEU 12 -14.368 27.582 -6.244 94 HD13 LEU 12 HD13 LEU 12 -12.783 26.882 -6.571 95 HD21 LEU 12 HD21 LEU 12 -14.673 23.637 -7.463 96 HD22 LEU 12 HD22 LEU 12 -13.544 24.176 -6.220 97 HD23 LEU 12 HD23 LEU 12 -13.065 24.203 -7.918 98 H VAL 13 H VAL 13 -16.806 27.248 -4.266 99 HA VAL 13 HA VAL 13 -19.595 27.772 -5.038 100 HB VAL 13 HB VAL 13 -20.202 28.172 -2.704 101 HG11 VAL 13 HG11 VAL 13 -18.959 25.445 -2.791 102 HG12 VAL 13 HG12 VAL 13 -20.501 25.942 -2.092 103 HG13 VAL 13 HG13 VAL 13 -20.308 25.868 -3.844 104 HG21 VAL 13 HG21 VAL 13 -17.868 28.767 -1.985 105 HG22 VAL 13 HG22 VAL 13 -18.747 27.713 -0.877 106 HG23 VAL 13 HG23 VAL 13 -17.516 27.039 -1.945 107 H SER 14 H SER 14 -20.234 29.898 -3.608 108 HA SER 14 HA SER 14 -18.159 31.880 -4.278 109 HB2 SER 14 HB2 SER 14 -21.141 31.921 -4.534 110 HB3 SER 14 HB3 SER 14 -20.287 33.440 -4.266 111 HG SER 14 HG SER 14 -19.796 31.590 -6.365 112 H LYS 15 H LYS 15 -20.086 30.544 -1.794 113 HA LYS 15 HA LYS 15 -19.098 32.595 0.070 114 HB2 LYS 15 HB2 LYS 15 -21.804 31.268 0.276 115 HB3 LYS 15 HB3 LYS 15 -21.169 32.544 1.306 116 HG2 LYS 15 HG2 LYS 15 -21.235 34.114 -0.518 117 HG3 LYS 15 HG3 LYS 15 -21.728 32.842 -1.638 118 HD2 LYS 15 HD2 LYS 15 -23.380 33.341 0.793 119 HD3 LYS 15 HD3 LYS 15 -23.499 34.466 -0.562 120 HE2 LYS 15 HE2 LYS 15 -23.969 32.534 -2.050 121 HE3 LYS 15 HE3 LYS 15 -23.977 31.488 -0.630 122 HZ1 LYS 15 HZ1 LYS 15 -25.768 33.833 -0.904 123 HZ2 LYS 15 HZ2 LYS 15 -25.875 32.570 0.216 124 HZ3 LYS 15 HZ3 LYS 15 -26.207 32.282 -1.418 125 H GLN 16 H GLN 16 -18.392 31.867 2.048 126 HA GLN 16 HA GLN 16 -17.434 29.240 2.221 127 HB2 GLN 16 HB2 GLN 16 -17.027 29.824 4.650 128 HB3 GLN 16 HB3 GLN 16 -16.309 30.914 3.470 129 HG2 GLN 16 HG2 GLN 16 -17.633 32.649 4.056 130 HG3 GLN 16 HG3 GLN 16 -19.003 31.615 4.455 131 HE21 GLN 16 HE21 GLN 16 -19.467 32.400 6.438 132 HE22 GLN 16 HE22 GLN 16 -18.396 32.318 7.791 133 H SER 17 H SER 17 -20.425 30.689 3.282 134 HA SER 17 HA SER 17 -21.259 28.738 5.113 135 HB2 SER 17 HB2 SER 17 -22.360 30.937 4.852 136 HB3 SER 17 HB3 SER 17 -22.981 30.427 3.282 137 HG SER 17 HG SER 17 -24.566 30.068 4.810 138 H GLU 18 H GLU 18 -21.094 28.712 1.666 139 HA GLU 18 HA GLU 18 -22.895 26.447 1.404 140 HB2 GLU 18 HB2 GLU 18 -21.314 28.088 -0.563 141 HB3 GLU 18 HB3 GLU 18 -22.127 26.604 -1.040 142 HG2 GLU 18 HG2 GLU 18 -24.238 27.649 -0.066 143 HG3 GLU 18 HG3 GLU 18 -23.337 29.164 -0.063 144 H ALA 19 H ALA 19 -19.454 27.149 0.842 145 HA ALA 19 HA ALA 19 -18.707 24.529 0.137 146 HB1 ALA 19 HB1 ALA 19 -16.807 25.578 -0.310 147 HB2 ALA 19 HB2 ALA 19 -17.420 27.028 0.484 148 HB3 ALA 19 HB3 ALA 19 -16.524 25.826 1.413 149 H LEU 20 H LEU 20 -18.592 26.232 3.255 150 HA LEU 20 HA LEU 20 -17.488 24.076 4.714 151 HB2 LEU 20 HB2 LEU 20 -17.880 26.667 5.249 152 HB3 LEU 20 HB3 LEU 20 -19.270 25.993 6.098 153 HG LEU 20 HG LEU 20 -17.345 26.350 7.580 154 HD11 LEU 20 HD11 LEU 20 -17.764 24.491 8.797 155 HD12 LEU 20 HD12 LEU 20 -17.510 23.402 7.433 156 HD13 LEU 20 HD13 LEU 20 -19.032 24.279 7.590 157 HD21 LEU 20 HD21 LEU 20 -15.691 24.177 6.849 158 HD22 LEU 20 HD22 LEU 20 -15.287 25.893 6.894 159 HD23 LEU 20 HD23 LEU 20 -15.919 25.174 5.412 160 H ALA 21 H ALA 21 -20.699 24.824 3.670 161 HA ALA 21 HA ALA 21 -22.118 23.246 5.556 162 HB1 ALA 21 HB1 ALA 21 -23.634 24.586 4.577 163 HB2 ALA 21 HB2 ALA 21 -22.736 24.670 3.061 164 HB3 ALA 21 HB3 ALA 21 -23.761 23.276 3.403 165 H ILE 22 H ILE 22 -20.058 22.400 3.038 166 HA ILE 22 HA ILE 22 -21.335 20.030 2.119 167 HB ILE 22 HB ILE 22 -18.413 20.788 2.035 168 HG12 ILE 22 HG12 ILE 22 -19.826 22.393 0.854 169 HG13 ILE 22 HG13 ILE 22 -18.898 21.437 -0.296 170 HG21 ILE 22 HG21 ILE 22 -18.186 18.615 1.498 171 HG22 ILE 22 HG22 ILE 22 -19.897 18.424 1.117 172 HG23 ILE 22 HG23 ILE 22 -18.804 19.134 -0.071 173 HD11 ILE 22 HD11 ILE 22 -21.820 21.303 0.328 174 HD12 ILE 22 HD12 ILE 22 -21.023 21.557 -1.225 175 HD13 ILE 22 HD13 ILE 22 -20.983 19.967 -0.463 176 H MET 23 H MET 23 -19.292 20.798 4.826 177 HA MET 23 HA MET 23 -18.864 17.980 5.452 178 HB2 MET 23 HB2 MET 23 -17.339 18.727 7.138 179 HB3 MET 23 HB3 MET 23 -17.018 19.662 5.684 180 HG2 MET 23 HG2 MET 23 -17.219 21.509 6.874 181 HG3 MET 23 HG3 MET 23 -18.916 21.119 7.141 182 HE1 MET 23 HE1 MET 23 -17.025 22.715 9.854 183 HE2 MET 23 HE2 MET 23 -15.653 21.611 9.947 184 HE3 MET 23 HE3 MET 23 -16.109 22.322 8.398 185 H GLU 24 H GLU 24 -20.935 20.588 6.277 186 HA GLU 24 HA GLU 24 -21.752 19.413 8.808 187 HB2 GLU 24 HB2 GLU 24 -23.181 21.703 7.514 188 HB3 GLU 24 HB3 GLU 24 -22.920 21.376 9.222 189 HG2 GLU 24 HG2 GLU 24 -20.374 21.721 8.377 190 HG3 GLU 24 HG3 GLU 24 -21.240 22.808 7.292 191 H LYS 25 H LYS 25 -23.109 20.024 5.593 192 HA LYS 25 HA LYS 25 -25.679 19.018 6.063 193 HB2 LYS 25 HB2 LYS 25 -24.881 20.329 4.048 194 HB3 LYS 25 HB3 LYS 25 -24.185 18.830 3.447 195 HG2 LYS 25 HG2 LYS 25 -26.327 19.221 2.414 196 HG3 LYS 25 HG3 LYS 25 -26.417 17.805 3.463 197 HD2 LYS 25 HD2 LYS 25 -27.821 18.818 4.937 198 HD3 LYS 25 HD3 LYS 25 -27.120 20.417 4.672 199 HE2 LYS 25 HE2 LYS 25 -28.856 18.988 2.665 200 HE3 LYS 25 HE3 LYS 25 -29.472 20.140 3.848 201 HZ1 LYS 25 HZ1 LYS 25 -27.377 21.427 2.646 202 HZ2 LYS 25 HZ2 LYS 25 -29.021 21.699 2.354 203 HZ3 LYS 25 HZ3 LYS 25 -28.153 20.631 1.370 204 H LEU 26 H LEU 26 -22.910 17.378 4.519 205 HA LEU 26 HA LEU 26 -24.064 14.864 4.274 206 HB2 LEU 26 HB2 LEU 26 -21.164 15.466 4.831 207 HB3 LEU 26 HB3 LEU 26 -21.808 13.994 4.107 208 HG LEU 26 HG LEU 26 -21.957 16.730 2.844 209 HD11 LEU 26 HD11 LEU 26 -19.941 16.434 1.953 210 HD12 LEU 26 HD12 LEU 26 -20.285 14.755 1.537 211 HD13 LEU 26 HD13 LEU 26 -19.702 15.162 3.151 212 HD21 LEU 26 HD21 LEU 26 -23.672 14.877 2.295 213 HD22 LEU 26 HD22 LEU 26 -22.324 14.095 1.469 214 HD23 LEU 26 HD23 LEU 26 -22.854 15.701 0.967 215 H LYS 27 H LYS 27 -22.823 16.476 7.069 216 HA LYS 27 HA LYS 27 -22.220 14.338 8.742 217 HB2 LYS 27 HB2 LYS 27 -21.984 16.898 9.116 218 HB3 LYS 27 HB3 LYS 27 -23.616 16.794 9.765 219 HG2 LYS 27 HG2 LYS 27 -22.173 16.651 11.613 220 HG3 LYS 27 HG3 LYS 27 -22.746 15.007 11.324 221 HD2 LYS 27 HD2 LYS 27 -20.451 14.752 11.684 222 HD3 LYS 27 HD3 LYS 27 -20.612 14.721 9.926 223 HE2 LYS 27 HE2 LYS 27 -19.652 16.792 9.667 224 HE3 LYS 27 HE3 LYS 27 -20.127 17.332 11.277 225 HZ1 LYS 27 HZ1 LYS 27 -17.656 16.426 10.530 226 HZ2 LYS 27 HZ2 LYS 27 -18.320 15.129 11.389 227 HZ3 LYS 27 HZ3 LYS 27 -18.202 16.653 12.115 228 H SER 28 H SER 28 -25.279 15.495 7.619 229 HA SER 28 HA SER 28 -26.826 14.169 9.658 230 HB2 SER 28 HB2 SER 28 -27.776 16.156 8.699 231 HB3 SER 28 HB3 SER 28 -27.596 15.519 7.064 232 HG SER 28 HG SER 28 -29.739 15.307 7.851 233 H GLY 29 H GLY 29 -25.499 13.377 6.567 234 HA2 GLY 29 HA2 GLY 29 -25.265 10.933 6.201 235 HA3 GLY 29 HA3 GLY 29 -26.964 10.810 6.633 236 H GLU 30 H GLU 30 -25.577 13.325 4.602 237 HA GLU 30 HA GLU 30 -27.357 12.481 2.444 238 HB2 GLU 30 HB2 GLU 30 -25.663 14.962 2.413 239 HB3 GLU 30 HB3 GLU 30 -27.177 14.654 1.576 240 HG2 GLU 30 HG2 GLU 30 -27.913 14.410 4.193 241 HG3 GLU 30 HG3 GLU 30 -26.691 15.678 4.263 242 H LYS 31 H LYS 31 -26.094 13.494 0.240 243 HA LYS 31 HA LYS 31 -23.701 11.785 0.031 244 HB2 LYS 31 HB2 LYS 31 -25.886 11.233 -1.287 245 HB3 LYS 31 HB3 LYS 31 -25.379 12.551 -2.335 246 HG2 LYS 31 HG2 LYS 31 -24.512 10.683 -3.383 247 HG3 LYS 31 HG3 LYS 31 -23.134 11.293 -2.464 248 HD2 LYS 31 HD2 LYS 31 -23.107 9.005 -2.025 249 HD3 LYS 31 HD3 LYS 31 -23.931 9.679 -0.618 250 HE2 LYS 31 HE2 LYS 31 -25.202 7.802 -1.262 251 HE3 LYS 31 HE3 LYS 31 -26.101 9.204 -1.838 252 HZ1 LYS 31 HZ1 LYS 31 -25.388 7.053 -3.333 253 HZ2 LYS 31 HZ2 LYS 31 -24.230 8.206 -3.767 254 HZ3 LYS 31 HZ3 LYS 31 -25.876 8.554 -3.941 255 H PHE 32 H PHE 32 -21.850 12.668 -0.683 256 HA PHE 32 HA PHE 32 -21.400 15.388 -0.682 257 HB2 PHE 32 HB2 PHE 32 -19.592 13.758 -0.506 258 HB3 PHE 32 HB3 PHE 32 -19.861 13.252 -2.171 259 HD1 PHE 32 HD1 PHE 32 -19.374 14.841 -4.027 260 HD2 PHE 32 HD2 PHE 32 -18.268 15.637 0.005 261 HE1 PHE 32 HE1 PHE 32 -17.776 16.543 -4.805 262 HE2 PHE 32 HE2 PHE 32 -16.670 17.341 -0.766 263 HZ PHE 32 HZ PHE 32 -16.422 17.796 -3.174 264 H GLY 33 H GLY 33 -21.834 13.282 -3.524 265 HA2 GLY 33 HA2 GLY 33 -21.609 15.242 -5.492 266 HA3 GLY 33 HA3 GLY 33 -22.530 13.754 -5.659 267 H LYS 34 H LYS 34 -24.288 14.485 -3.390 268 HA LYS 34 HA LYS 34 -26.386 15.642 -4.812 269 HB2 LYS 34 HB2 LYS 34 -26.451 14.296 -2.626 270 HB3 LYS 34 HB3 LYS 34 -26.125 15.824 -1.817 271 HG2 LYS 34 HG2 LYS 34 -28.194 16.666 -2.267 272 HG3 LYS 34 HG3 LYS 34 -28.380 15.720 -3.745 273 HD2 LYS 34 HD2 LYS 34 -28.641 13.685 -2.353 274 HD3 LYS 34 HD3 LYS 34 -28.574 14.701 -0.911 275 HE2 LYS 34 HE2 LYS 34 -30.873 14.257 -1.417 276 HE3 LYS 34 HE3 LYS 34 -30.543 15.950 -1.779 277 HZ1 LYS 34 HZ1 LYS 34 -31.755 14.241 -3.456 278 HZ2 LYS 34 HZ2 LYS 34 -30.157 14.149 -4.004 279 HZ3 LYS 34 HZ3 LYS 34 -30.946 15.645 -3.945 280 H LEU 35 H LEU 35 -23.730 17.104 -3.169 281 HA LEU 35 HA LEU 35 -24.994 19.751 -3.368 282 HB2 LEU 35 HB2 LEU 35 -22.405 19.202 -1.968 283 HB3 LEU 35 HB3 LEU 35 -23.542 20.525 -1.716 284 HG LEU 35 HG LEU 35 -23.900 17.653 -0.865 285 HD11 LEU 35 HD11 LEU 35 -23.477 20.197 0.695 286 HD12 LEU 35 HD12 LEU 35 -22.346 18.853 0.540 287 HD13 LEU 35 HD13 LEU 35 -23.870 18.628 1.398 288 HD21 LEU 35 HD21 LEU 35 -25.834 19.727 -1.369 289 HD22 LEU 35 HD22 LEU 35 -25.828 19.278 0.337 290 HD23 LEU 35 HD23 LEU 35 -26.086 18.046 -0.899 291 H ALA 36 H ALA 36 -22.413 17.769 -4.558 292 HA ALA 36 HA ALA 36 -20.866 19.879 -5.708 293 HB1 ALA 36 HB1 ALA 36 -19.972 17.625 -5.111 294 HB2 ALA 36 HB2 ALA 36 -20.856 16.969 -6.489 295 HB3 ALA 36 HB3 ALA 36 -19.577 18.156 -6.746 296 H LYS 37 H LYS 37 -23.719 18.212 -6.623 297 HA LYS 37 HA LYS 37 -23.446 18.851 -9.447 298 HB2 LYS 37 HB2 LYS 37 -24.748 16.839 -8.087 299 HB3 LYS 37 HB3 LYS 37 -26.065 17.917 -8.529 300 HG2 LYS 37 HG2 LYS 37 -24.920 17.834 -10.888 301 HG3 LYS 37 HG3 LYS 37 -24.251 16.324 -10.266 302 HD2 LYS 37 HD2 LYS 37 -26.350 15.340 -10.050 303 HD3 LYS 37 HD3 LYS 37 -27.185 16.895 -10.057 304 HE2 LYS 37 HE2 LYS 37 -25.655 15.951 -12.455 305 HE3 LYS 37 HE3 LYS 37 -27.305 15.404 -12.162 306 HZ1 LYS 37 HZ1 LYS 37 -28.055 17.292 -13.001 307 HZ2 LYS 37 HZ2 LYS 37 -26.473 17.800 -13.319 308 HZ3 LYS 37 HZ3 LYS 37 -27.206 18.190 -11.845 309 H GLU 38 H GLU 38 -23.955 20.744 -6.972 310 HA GLU 38 HA GLU 38 -25.769 22.489 -8.457 311 HB2 GLU 38 HB2 GLU 38 -26.110 22.022 -5.494 312 HB3 GLU 38 HB3 GLU 38 -27.135 22.986 -6.549 313 HG2 GLU 38 HG2 GLU 38 -26.780 20.007 -6.781 314 HG3 GLU 38 HG3 GLU 38 -28.104 20.796 -5.924 315 H LEU 39 H LEU 39 -24.119 22.423 -5.292 316 HA LEU 39 HA LEU 39 -23.503 25.131 -5.188 317 HB2 LEU 39 HB2 LEU 39 -22.043 22.777 -4.003 318 HB3 LEU 39 HB3 LEU 39 -21.714 24.458 -3.588 319 HG LEU 39 HG LEU 39 -24.237 22.904 -3.035 320 HD11 LEU 39 HD11 LEU 39 -23.244 22.415 -1.116 321 HD12 LEU 39 HD12 LEU 39 -23.167 24.137 -0.745 322 HD13 LEU 39 HD13 LEU 39 -21.822 23.354 -1.573 323 HD21 LEU 39 HD21 LEU 39 -25.129 24.977 -3.435 324 HD22 LEU 39 HD22 LEU 39 -23.652 25.825 -2.975 325 HD23 LEU 39 HD23 LEU 39 -24.699 25.137 -1.732 326 H SER 40 H SER 40 -21.540 22.433 -6.408 327 HA SER 40 HA SER 40 -19.213 23.779 -7.021 328 HB2 SER 40 HB2 SER 40 -19.952 21.246 -7.321 329 HB3 SER 40 HB3 SER 40 -20.217 21.765 -8.985 330 HG SER 40 HG SER 40 -17.965 22.699 -8.680 331 H ILE 41 H ILE 41 -19.226 25.738 -7.956 332 HA ILE 41 HA ILE 41 -21.030 26.466 -10.050 333 HB ILE 41 HB ILE 41 -19.693 28.540 -10.203 334 HG12 ILE 41 HG12 ILE 41 -18.074 27.755 -7.836 335 HG13 ILE 41 HG13 ILE 41 -17.583 27.097 -9.393 336 HG21 ILE 41 HG21 ILE 41 -21.506 28.417 -8.608 337 HG22 ILE 41 HG22 ILE 41 -20.440 27.681 -7.412 338 HG23 ILE 41 HG23 ILE 41 -20.174 29.348 -7.923 339 HD11 ILE 41 HD11 ILE 41 -17.940 29.721 -10.000 340 HD12 ILE 41 HD12 ILE 41 -17.355 29.810 -8.339 341 HD13 ILE 41 HD13 ILE 41 -16.400 28.979 -9.567 342 H ASP 42 H ASP 42 -17.989 24.901 -9.940 343 HA ASP 42 HA ASP 42 -16.928 25.659 -12.438 344 HB2 ASP 42 HB2 ASP 42 -15.650 24.490 -10.647 345 HB3 ASP 42 HB3 ASP 42 -16.557 23.022 -11.004 346 H SER 43 H SER 43 -17.974 25.453 -14.303 347 HA SER 43 HA SER 43 -20.131 23.825 -14.861 348 HB2 SER 43 HB2 SER 43 -18.035 24.988 -16.698 349 HB3 SER 43 HB3 SER 43 -19.464 24.143 -17.293 350 HG SER 43 HG SER 43 -19.592 26.351 -15.523 351 H GLY 44 H GLY 44 -16.697 23.114 -15.105 352 HA2 GLY 44 HA2 GLY 44 -17.248 20.488 -16.262 353 HA3 GLY 44 HA3 GLY 44 -15.662 21.203 -16.015 354 H SER 45 H SER 45 -18.340 20.698 -13.737 355 HA SER 45 HA SER 45 -16.939 18.574 -12.380 356 HB2 SER 45 HB2 SER 45 -17.458 21.069 -10.772 357 HB3 SER 45 HB3 SER 45 -16.482 19.667 -10.336 358 HG SER 45 HG SER 45 -15.128 20.327 -12.195 359 H ALA 46 H ALA 46 -19.563 20.940 -12.314 360 HA ALA 46 HA ALA 46 -21.218 19.580 -10.481 361 HB1 ALA 46 HB1 ALA 46 -22.844 21.143 -10.982 362 HB2 ALA 46 HB2 ALA 46 -21.361 22.004 -11.399 363 HB3 ALA 46 HB3 ALA 46 -22.345 21.276 -12.668 364 H LYS 47 H LYS 47 -20.355 18.835 -13.666 365 HA LYS 47 HA LYS 47 -22.794 17.392 -14.292 366 HB2 LYS 47 HB2 LYS 47 -21.335 18.650 -15.982 367 HB3 LYS 47 HB3 LYS 47 -20.216 17.300 -15.848 368 HG2 LYS 47 HG2 LYS 47 -22.131 15.797 -16.489 369 HG3 LYS 47 HG3 LYS 47 -23.043 17.260 -16.866 370 HD2 LYS 47 HD2 LYS 47 -21.609 17.841 -18.621 371 HD3 LYS 47 HD3 LYS 47 -20.328 16.770 -18.048 372 HE2 LYS 47 HE2 LYS 47 -22.980 15.692 -18.945 373 HE3 LYS 47 HE3 LYS 47 -21.700 16.052 -20.103 374 HZ1 LYS 47 HZ1 LYS 47 -20.480 14.601 -18.122 375 HZ2 LYS 47 HZ2 LYS 47 -20.917 14.039 -19.656 376 HZ3 LYS 47 HZ3 LYS 47 -21.967 13.826 -18.347 377 H LYS 48 H LYS 48 -19.776 16.794 -12.795 378 HA LYS 48 HA LYS 48 -20.265 13.890 -12.928 379 HB2 LYS 48 HB2 LYS 48 -17.743 13.788 -12.333 380 HB3 LYS 48 HB3 LYS 48 -18.212 14.140 -13.992 381 HG2 LYS 48 HG2 LYS 48 -17.786 16.430 -12.153 382 HG3 LYS 48 HG3 LYS 48 -16.371 15.546 -12.728 383 HD2 LYS 48 HD2 LYS 48 -18.418 16.330 -14.732 384 HD3 LYS 48 HD3 LYS 48 -17.394 17.603 -14.064 385 HE2 LYS 48 HE2 LYS 48 -15.431 16.589 -14.861 386 HE3 LYS 48 HE3 LYS 48 -16.244 15.053 -15.155 387 HZ1 LYS 48 HZ1 LYS 48 -15.788 16.338 -17.194 388 HZ2 LYS 48 HZ2 LYS 48 -16.821 17.557 -16.641 389 HZ3 LYS 48 HZ3 LYS 48 -17.434 16.017 -16.974 390 H ASN 49 H ASN 49 -21.292 15.934 -11.026 391 HA ASN 49 HA ASN 49 -21.618 16.221 -8.791 392 HB2 ASN 49 HB2 ASN 49 -20.775 13.323 -8.882 393 HB3 ASN 49 HB3 ASN 49 -21.335 14.105 -7.407 394 HD21 ASN 49 HD21 ASN 49 -23.465 15.308 -7.700 395 HD22 ASN 49 HD22 ASN 49 -24.693 14.466 -8.576 396 H GLY 50 H GLY 50 -19.010 16.935 -9.871 397 HA2 GLY 50 HA2 GLY 50 -17.008 17.731 -9.076 398 HA3 GLY 50 HA3 GLY 50 -17.672 17.527 -7.462 399 H ASN 51 H ASN 51 -17.692 14.674 -9.299 400 HA ASN 51 HA ASN 51 -15.537 13.594 -7.658 401 HB2 ASN 51 HB2 ASN 51 -17.798 12.454 -7.922 402 HB3 ASN 51 HB3 ASN 51 -17.305 12.065 -9.568 403 HD21 ASN 51 HD21 ASN 51 -15.741 10.527 -9.917 404 HD22 ASN 51 HD22 ASN 51 -15.168 9.474 -8.673 405 H LEU 52 H LEU 52 -13.619 14.177 -8.558 406 HA LEU 52 HA LEU 52 -13.191 13.920 -11.416 407 HB2 LEU 52 HB2 LEU 52 -10.926 14.765 -10.899 408 HB3 LEU 52 HB3 LEU 52 -12.220 15.825 -10.344 409 HG LEU 52 HG LEU 52 -11.848 14.602 -8.062 410 HD11 LEU 52 HD11 LEU 52 -9.690 13.578 -9.692 411 HD12 LEU 52 HD12 LEU 52 -10.227 13.082 -8.088 412 HD13 LEU 52 HD13 LEU 52 -9.088 14.416 -8.262 413 HD21 LEU 52 HD21 LEU 52 -11.047 17.010 -9.150 414 HD22 LEU 52 HD22 LEU 52 -9.564 16.352 -8.458 415 HD23 LEU 52 HD23 LEU 52 -10.993 16.565 -7.444 416 H GLY 53 H GLY 53 -13.408 11.702 -9.129 417 HA2 GLY 53 HA2 GLY 53 -12.646 9.548 -8.908 418 HA3 GLY 53 HA3 GLY 53 -12.016 9.711 -10.541 419 H TYR 54 H TYR 54 -9.992 8.975 -10.485 420 HA TYR 54 HA TYR 54 -8.297 9.493 -8.182 421 HB2 TYR 54 HB2 TYR 54 -8.285 7.624 -10.456 422 HB3 TYR 54 HB3 TYR 54 -6.694 8.207 -9.981 423 HD1 TYR 54 HD1 TYR 54 -9.640 7.520 -7.816 424 HD2 TYR 54 HD2 TYR 54 -5.713 6.346 -8.960 425 HE1 TYR 54 HE1 TYR 54 -9.598 5.889 -5.975 426 HE2 TYR 54 HE2 TYR 54 -5.660 4.712 -7.122 427 HH TYR 54 HH TYR 54 -6.805 4.421 -4.885 428 H PHE 55 H PHE 55 -6.512 10.784 -8.155 429 HA PHE 55 HA PHE 55 -5.741 12.169 -10.615 430 HB2 PHE 55 HB2 PHE 55 -6.083 14.305 -9.816 431 HB3 PHE 55 HB3 PHE 55 -7.436 13.465 -9.066 432 HD1 PHE 55 HD2 PHE 55 -6.430 12.179 -6.768 433 HD2 PHE 55 HD1 PHE 55 -5.241 15.914 -8.426 434 HE1 PHE 55 HE2 PHE 55 -5.658 12.914 -4.550 435 HE2 PHE 55 HE1 PHE 55 -4.465 16.655 -6.212 436 HZ PHE 55 HZ PHE 55 -4.674 15.154 -4.270 437 H THR 56 H THR 56 -3.805 13.754 -9.920 438 HA THR 56 HA THR 56 -2.062 12.477 -7.965 439 HB THR 56 HB THR 56 -0.222 12.145 -9.477 440 HG1 THR 56 HG1 THR 56 -0.220 13.435 -11.159 441 HG21 THR 56 HG21 THR 56 -1.151 10.412 -10.985 442 HG22 THR 56 HG22 THR 56 -2.774 10.983 -10.598 443 HG23 THR 56 HG23 THR 56 -1.762 10.281 -9.337 444 H LYS 57 H LYS 57 0.220 13.702 -8.188 445 HA LYS 57 HA LYS 57 -0.403 16.465 -7.644 446 HB2 LYS 57 HB2 LYS 57 2.336 15.204 -7.703 447 HB3 LYS 57 HB3 LYS 57 1.835 16.650 -6.837 448 HG2 LYS 57 HG2 LYS 57 0.204 14.984 -5.636 449 HG3 LYS 57 HG3 LYS 57 1.384 13.786 -6.172 450 HD2 LYS 57 HD2 LYS 57 3.073 15.576 -5.162 451 HD3 LYS 57 HD3 LYS 57 1.658 15.976 -4.186 452 HE2 LYS 57 HE2 LYS 57 2.736 14.368 -2.907 453 HE3 LYS 57 HE3 LYS 57 1.513 13.434 -3.766 454 HZ1 LYS 57 HZ1 LYS 57 4.248 13.713 -4.842 455 HZ2 LYS 57 HZ2 LYS 57 3.091 12.528 -5.186 456 HZ3 LYS 57 HZ3 LYS 57 3.882 12.528 -3.691 457 H GLY 58 H GLY 58 -0.735 17.746 -9.361 458 HA2 GLY 58 HA2 GLY 58 0.736 19.106 -10.902 459 HA3 GLY 58 HA3 GLY 58 1.175 17.556 -11.606 460 H MET 59 H MET 59 -1.996 17.344 -10.720 461 HA MET 59 HA MET 59 -2.874 18.034 -13.442 462 HB2 MET 59 HB2 MET 59 -3.996 16.055 -11.454 463 HB3 MET 59 HB3 MET 59 -4.765 16.456 -12.984 464 HG2 MET 59 HG2 MET 59 -1.936 15.556 -13.025 465 HG3 MET 59 HG3 MET 59 -3.196 14.361 -12.724 466 HE1 MET 59 HE1 MET 59 -4.102 13.135 -14.128 467 HE2 MET 59 HE2 MET 59 -5.314 13.953 -15.114 468 HE3 MET 59 HE3 MET 59 -3.951 13.142 -15.886 469 H MET 60 H MET 60 -2.861 19.334 -10.474 470 HA MET 60 HA MET 60 -5.368 20.776 -10.969 471 HB2 MET 60 HB2 MET 60 -4.498 19.844 -8.230 472 HB3 MET 60 HB3 MET 60 -5.976 20.710 -8.629 473 HG2 MET 60 HG2 MET 60 -5.378 18.033 -9.827 474 HG3 MET 60 HG3 MET 60 -6.100 18.183 -8.226 475 HE1 MET 60 HE1 MET 60 -8.894 17.130 -10.937 476 HE2 MET 60 HE2 MET 60 -7.220 17.099 -11.489 477 HE3 MET 60 HE3 MET 60 -7.632 16.486 -9.887 478 H VAL 61 H VAL 61 -5.321 22.522 -8.876 479 HA VAL 61 HA VAL 61 -2.981 24.144 -9.535 480 HB VAL 61 HB VAL 61 -4.181 26.022 -8.615 481 HG11 VAL 61 HG11 VAL 61 -6.250 24.513 -10.174 482 HG12 VAL 61 HG12 VAL 61 -5.846 26.230 -10.234 483 HG13 VAL 61 HG13 VAL 61 -4.743 25.040 -10.923 484 HG21 VAL 61 HG21 VAL 61 -6.396 25.807 -7.628 485 HG22 VAL 61 HG22 VAL 61 -6.328 24.055 -7.821 486 HG23 VAL 61 HG23 VAL 61 -5.217 24.864 -6.716 487 H LYS 62 H LYS 62 -1.932 25.395 -7.809 488 HA LYS 62 HA LYS 62 -0.853 23.816 -5.818 489 HB2 LYS 62 HB2 LYS 62 0.426 25.680 -6.141 490 HB3 LYS 62 HB3 LYS 62 -0.967 26.733 -6.350 491 HG2 LYS 62 HG2 LYS 62 -1.291 26.933 -4.023 492 HG3 LYS 62 HG3 LYS 62 -0.186 25.600 -3.680 493 HD2 LYS 62 HD2 LYS 62 1.686 26.929 -4.509 494 HD3 LYS 62 HD3 LYS 62 0.587 28.256 -4.888 495 HE2 LYS 62 HE2 LYS 62 1.640 28.758 -2.808 496 HE3 LYS 62 HE3 LYS 62 -0.035 28.324 -2.468 497 HZ1 LYS 62 HZ1 LYS 62 0.860 26.013 -2.031 498 HZ2 LYS 62 HZ2 LYS 62 1.236 27.196 -0.882 499 HZ3 LYS 62 HZ3 LYS 62 2.401 26.710 -2.008 500 HA PRO 63 HA PRO 63 -3.883 25.776 -2.607 501 HB2 PRO 63 HB2 PRO 63 -5.951 27.243 -3.577 502 HB3 PRO 63 HB3 PRO 63 -4.380 27.946 -3.176 503 HG2 PRO 63 HG2 PRO 63 -5.467 27.137 -5.845 504 HG3 PRO 63 HG3 PRO 63 -4.556 28.593 -5.402 505 HD2 PRO 63 HD2 PRO 63 -3.402 26.467 -6.619 506 HD3 PRO 63 HD3 PRO 63 -2.529 27.498 -5.467 507 H PHE 64 H PHE 64 -4.064 23.351 -3.997 508 HA PHE 64 HA PHE 64 -6.696 22.529 -3.274 509 HB2 PHE 64 HB2 PHE 64 -7.295 23.450 -5.429 510 HB3 PHE 64 HB3 PHE 64 -5.977 22.582 -6.210 511 HD1 PHE 64 HD2 PHE 64 -6.095 20.137 -6.481 512 HD2 PHE 64 HD1 PHE 64 -9.363 22.388 -4.943 513 HE1 PHE 64 HE2 PHE 64 -7.603 18.243 -6.922 514 HE2 PHE 64 HE1 PHE 64 -10.876 20.498 -5.380 515 HZ PHE 64 HZ PHE 64 -9.997 18.422 -6.373 516 H GLU 65 H GLU 65 -4.134 21.527 -5.549 517 HA GLU 65 HA GLU 65 -4.282 18.798 -5.079 518 HB2 GLU 65 HB2 GLU 65 -3.006 19.575 -6.933 519 HB3 GLU 65 HB3 GLU 65 -1.964 20.542 -5.898 520 HG2 GLU 65 HG2 GLU 65 -1.979 17.670 -5.301 521 HG3 GLU 65 HG3 GLU 65 -1.328 18.106 -6.880 522 H ASP 66 H ASP 66 -2.453 21.280 -3.360 523 HA ASP 66 HA ASP 66 -0.867 19.695 -1.738 524 HB2 ASP 66 HB2 ASP 66 -0.605 22.103 -1.794 525 HB3 ASP 66 HB3 ASP 66 -2.207 22.328 -1.097 526 H ALA 67 H ALA 67 -4.064 21.036 -0.892 527 HA ALA 67 HA ALA 67 -4.276 19.097 1.283 528 HB1 ALA 67 HB1 ALA 67 -6.305 20.403 1.904 529 HB2 ALA 67 HB2 ALA 67 -4.814 21.347 1.895 530 HB3 ALA 67 HB3 ALA 67 -5.957 21.490 0.559 531 H ALA 68 H ALA 68 -4.450 18.229 -1.492 532 HA ALA 68 HA ALA 68 -7.275 17.466 -1.723 533 HB1 ALA 68 HB1 ALA 68 -5.011 17.562 -3.683 534 HB2 ALA 68 HB2 ALA 68 -6.458 16.608 -4.010 535 HB3 ALA 68 HB3 ALA 68 -6.587 18.350 -3.762 536 H PHE 69 H PHE 69 -4.140 16.227 -0.993 537 HA PHE 69 HA PHE 69 -5.252 13.499 -0.908 538 HB2 PHE 69 HB2 PHE 69 -2.770 12.809 -1.117 539 HB3 PHE 69 HB3 PHE 69 -3.602 13.367 -2.565 540 HD1 PHE 69 HD2 PHE 69 -1.711 14.886 0.276 541 HD2 PHE 69 HD1 PHE 69 -2.395 14.752 -3.923 542 HE1 PHE 69 HE2 PHE 69 0.026 16.595 -0.058 543 HE2 PHE 69 HE1 PHE 69 -0.658 16.461 -4.264 544 HZ PHE 69 HZ PHE 69 0.554 17.386 -2.330 545 H LYS 70 H LYS 70 -4.140 16.065 0.889 546 HA LYS 70 HA LYS 70 -2.752 14.672 2.961 547 HB2 LYS 70 HB2 LYS 70 -4.000 17.414 2.811 548 HB3 LYS 70 HB3 LYS 70 -3.180 16.821 4.249 549 HG2 LYS 70 HG2 LYS 70 -1.104 16.661 3.094 550 HG3 LYS 70 HG3 LYS 70 -1.880 16.983 1.542 551 HD2 LYS 70 HD2 LYS 70 -0.725 18.966 2.385 552 HD3 LYS 70 HD3 LYS 70 -2.468 19.232 2.296 553 HE2 LYS 70 HE2 LYS 70 -1.593 20.130 4.369 554 HE3 LYS 70 HE3 LYS 70 -2.644 18.755 4.702 555 HZ1 LYS 70 HZ1 LYS 70 0.067 17.947 4.365 556 HZ2 LYS 70 HZ2 LYS 70 -0.981 17.671 5.664 557 HZ3 LYS 70 HZ3 LYS 70 -0.078 19.100 5.596 558 H LEU 71 H LEU 71 -6.009 14.902 2.107 559 HA LEU 71 HA LEU 71 -7.126 14.725 4.746 560 HB2 LEU 71 HB2 LEU 71 -8.518 13.913 2.217 561 HB3 LEU 71 HB3 LEU 71 -9.218 14.552 3.703 562 HG LEU 71 HG LEU 71 -7.447 16.214 1.932 563 HD11 LEU 71 HD11 LEU 71 -9.238 16.932 0.661 564 HD12 LEU 71 HD12 LEU 71 -10.431 16.341 1.817 565 HD13 LEU 71 HD13 LEU 71 -9.548 15.201 0.801 566 HD21 LEU 71 HD21 LEU 71 -8.192 18.018 3.156 567 HD22 LEU 71 HD22 LEU 71 -8.103 16.764 4.393 568 HD23 LEU 71 HD23 LEU 71 -9.660 17.193 3.682 569 H GLN 72 H GLN 72 -8.669 12.826 5.203 570 HA GLN 72 HA GLN 72 -7.121 10.364 4.858 571 HB2 GLN 72 HB2 GLN 72 -8.184 11.463 7.107 572 HB3 GLN 72 HB3 GLN 72 -9.462 10.344 6.651 573 HG2 GLN 72 HG2 GLN 72 -7.960 8.489 6.733 574 HG3 GLN 72 HG3 GLN 72 -6.577 9.558 6.965 575 HE21 GLN 72 HE21 GLN 72 -5.859 9.055 8.928 576 HE22 GLN 72 HE22 GLN 72 -6.806 9.071 10.373 577 H VAL 73 H VAL 73 -8.614 8.323 4.911 578 HA VAL 73 HA VAL 73 -10.016 8.254 2.473 579 HB VAL 73 HB VAL 73 -10.281 6.269 4.731 580 HG11 VAL 73 HG11 VAL 73 -11.520 6.416 2.229 581 HG12 VAL 73 HG12 VAL 73 -10.262 5.189 2.064 582 HG13 VAL 73 HG13 VAL 73 -11.484 5.036 3.327 583 HG21 VAL 73 HG21 VAL 73 -8.031 6.887 2.948 584 HG22 VAL 73 HG22 VAL 73 -8.052 6.059 4.505 585 HG23 VAL 73 HG23 VAL 73 -8.466 5.180 3.034 586 H GLY 74 H GLY 74 -11.691 9.714 2.372 587 HA2 GLY 74 HA2 GLY 74 -14.046 9.942 2.441 588 HA3 GLY 74 HA3 GLY 74 -14.073 8.967 3.903 589 H GLU 75 H GLU 75 -11.772 11.541 3.628 590 HA GLU 75 HA GLU 75 -13.277 13.032 5.666 591 HB2 GLU 75 HB2 GLU 75 -10.602 12.199 5.571 592 HB3 GLU 75 HB3 GLU 75 -10.555 13.934 5.287 593 HG2 GLU 75 HG2 GLU 75 -11.645 14.389 7.342 594 HG3 GLU 75 HG3 GLU 75 -12.034 12.687 7.585 595 H VAL 76 H VAL 76 -13.683 15.206 5.446 596 HA VAL 76 HA VAL 76 -13.461 16.247 2.723 597 HB VAL 76 HB VAL 76 -15.042 17.294 5.076 598 HG11 VAL 76 HG11 VAL 76 -16.149 18.733 3.430 599 HG12 VAL 76 HG12 VAL 76 -14.420 19.075 3.533 600 HG13 VAL 76 HG13 VAL 76 -15.057 18.139 2.180 601 HG21 VAL 76 HG21 VAL 76 -16.144 16.002 2.600 602 HG22 VAL 76 HG22 VAL 76 -15.705 15.059 4.024 603 HG23 VAL 76 HG23 VAL 76 -16.949 16.303 4.139 604 H SER 77 H SER 77 -12.391 18.102 2.194 605 HA SER 77 HA SER 77 -10.433 19.045 4.124 606 HB2 SER 77 HB2 SER 77 -9.148 19.558 2.337 607 HB3 SER 77 HB3 SER 77 -10.302 18.588 1.422 608 HG SER 77 HG SER 77 -10.189 21.396 1.707 609 H GLU 78 H GLU 78 -10.019 21.370 4.369 610 HA GLU 78 HA GLU 78 -12.413 22.758 5.048 611 HB2 GLU 78 HB2 GLU 78 -9.497 23.286 5.244 612 HB3 GLU 78 HB3 GLU 78 -10.562 24.684 5.271 613 HG2 GLU 78 HG2 GLU 78 -11.620 22.721 7.030 614 HG3 GLU 78 HG3 GLU 78 -9.906 22.926 7.383 615 HA PRO 79 HA PRO 79 -13.254 25.168 1.483 616 HB2 PRO 79 HB2 PRO 79 -13.857 27.602 2.524 617 HB3 PRO 79 HB3 PRO 79 -14.923 26.201 2.678 618 HG2 PRO 79 HG2 PRO 79 -12.983 27.332 4.658 619 HG3 PRO 79 HG3 PRO 79 -14.633 26.739 4.922 620 HD2 PRO 79 HD2 PRO 79 -12.442 25.256 5.499 621 HD3 PRO 79 HD3 PRO 79 -13.969 24.532 4.955 622 H ILE 80 H ILE 80 -11.041 25.077 0.684 623 HA ILE 80 HA ILE 80 -9.185 27.161 1.335 624 HB ILE 80 HB ILE 80 -9.096 25.356 -1.079 625 HG12 ILE 80 HG12 ILE 80 -9.374 24.039 1.001 626 HG13 ILE 80 HG13 ILE 80 -7.796 23.794 0.261 627 HG21 ILE 80 HG21 ILE 80 -7.443 26.912 -1.416 628 HG22 ILE 80 HG22 ILE 80 -7.160 27.144 0.309 629 HG23 ILE 80 HG23 ILE 80 -6.562 25.693 -0.495 630 HD11 ILE 80 HD11 ILE 80 -8.284 24.399 2.895 631 HD12 ILE 80 HD12 ILE 80 -6.735 24.537 2.063 632 HD13 ILE 80 HD13 ILE 80 -7.787 25.945 2.206 633 H LYS 81 H LYS 81 -9.548 29.197 0.753 634 HA LYS 81 HA LYS 81 -11.182 29.907 -1.487 635 HB2 LYS 81 HB2 LYS 81 -11.032 31.262 0.595 636 HB3 LYS 81 HB3 LYS 81 -9.373 31.667 0.177 637 HG2 LYS 81 HG2 LYS 81 -10.138 33.413 -0.943 638 HG3 LYS 81 HG3 LYS 81 -10.905 32.302 -2.080 639 HD2 LYS 81 HD2 LYS 81 -12.882 32.224 -0.560 640 HD3 LYS 81 HD3 LYS 81 -12.117 33.476 0.421 641 HE2 LYS 81 HE2 LYS 81 -12.445 33.933 -2.506 642 HE3 LYS 81 HE3 LYS 81 -13.854 34.088 -1.459 643 HZ1 LYS 81 HZ1 LYS 81 -12.397 35.613 -0.073 644 HZ2 LYS 81 HZ2 LYS 81 -12.939 36.215 -1.558 645 HZ3 LYS 81 HZ3 LYS 81 -11.350 35.657 -1.402 646 H SER 82 H SER 82 -10.518 29.788 -3.521 647 HA SER 82 HA SER 82 -7.754 30.591 -4.142 648 HB2 SER 82 HB2 SER 82 -9.171 28.510 -5.777 649 HB3 SER 82 HB3 SER 82 -7.441 28.804 -5.609 650 HG SER 82 HG SER 82 -8.134 26.938 -4.462 651 H GLU 83 H GLU 83 -7.743 30.645 -6.802 652 HA GLU 83 HA GLU 83 -9.054 33.013 -7.467 653 HB2 GLU 83 HB2 GLU 83 -8.500 32.356 -9.854 654 HB3 GLU 83 HB3 GLU 83 -7.146 32.422 -8.736 655 HG2 GLU 83 HG2 GLU 83 -7.092 30.042 -8.552 656 HG3 GLU 83 HG3 GLU 83 -8.588 29.888 -9.470 657 H PHE 84 H PHE 84 -10.113 29.710 -7.651 658 HA PHE 84 HA PHE 84 -12.442 30.415 -9.259 659 HB2 PHE 84 HB2 PHE 84 -11.800 27.707 -8.093 660 HB3 PHE 84 HB3 PHE 84 -12.861 28.077 -9.448 661 HD1 PHE 84 HD1 PHE 84 -11.407 29.694 -11.229 662 HD2 PHE 84 HD2 PHE 84 -9.956 26.537 -8.770 663 HE1 PHE 84 HE1 PHE 84 -9.538 29.341 -12.791 664 HE2 PHE 84 HE2 PHE 84 -8.084 26.180 -10.327 665 HZ PHE 84 HZ PHE 84 -7.873 27.583 -12.340 666 H GLY 85 H GLY 85 -11.537 29.932 -5.978 667 HA2 GLY 85 HA2 GLY 85 -13.246 30.985 -4.446 668 HA3 GLY 85 HA3 GLY 85 -14.382 29.868 -5.187 669 H TYR 86 H TYR 86 -14.809 29.094 -3.035 670 HA TYR 86 HA TYR 86 -12.747 27.842 -1.500 671 HB2 TYR 86 HB2 TYR 86 -15.760 27.703 -1.301 672 HB3 TYR 86 HB3 TYR 86 -14.659 26.973 -0.138 673 HD1 TYR 86 HD2 TYR 86 -12.793 28.709 0.744 674 HD2 TYR 86 HD1 TYR 86 -16.638 29.757 -0.746 675 HE1 TYR 86 HE2 TYR 86 -12.688 30.831 1.984 676 HE2 TYR 86 HE1 TYR 86 -16.544 31.882 0.489 677 HH TYR 86 HH TYR 86 -14.000 32.565 2.779 678 H HIS 87 H HIS 87 -11.890 25.903 -1.804 679 HA HIS 87 HA HIS 87 -13.253 24.015 -3.585 680 HB2 HIS 87 HB2 HIS 87 -10.383 24.264 -2.689 681 HB3 HIS 87 HB3 HIS 87 -10.985 22.855 -3.557 682 HD1 HIS 87 HD1 HIS 87 -11.314 23.074 -6.062 683 HD2 HIS 87 HD2 HIS 87 -10.317 26.665 -4.226 684 HE1 HIS 87 HE1 HIS 87 -10.817 24.673 -7.938 685 H ILE 88 H ILE 88 -14.205 22.257 -2.803 686 HA ILE 88 HA ILE 88 -13.577 21.443 -0.043 687 HB ILE 88 HB ILE 88 -16.124 20.984 -1.601 688 HG12 ILE 88 HG12 ILE 88 -15.784 23.336 -0.913 689 HG13 ILE 88 HG13 ILE 88 -17.133 22.587 -0.066 690 HG21 ILE 88 HG21 ILE 88 -16.493 19.340 -0.151 691 HG22 ILE 88 HG22 ILE 88 -15.046 19.746 0.770 692 HG23 ILE 88 HG23 ILE 88 -16.570 20.563 1.116 693 HD11 ILE 88 HD11 ILE 88 -14.370 23.015 1.045 694 HD12 ILE 88 HD12 ILE 88 -15.809 23.959 1.429 695 HD13 ILE 88 HD13 ILE 88 -15.719 22.260 1.894 696 H ILE 89 H ILE 89 -11.803 20.150 -0.813 697 HA ILE 89 HA ILE 89 -12.300 17.958 -2.606 698 HB ILE 89 HB ILE 89 -9.911 18.290 -0.799 699 HG12 ILE 89 HG12 ILE 89 -9.251 19.167 -3.381 700 HG13 ILE 89 HG13 ILE 89 -10.785 19.945 -3.006 701 HG21 ILE 89 HG21 ILE 89 -9.490 17.201 -3.452 702 HG22 ILE 89 HG22 ILE 89 -9.034 16.550 -1.879 703 HG23 ILE 89 HG23 ILE 89 -10.650 16.255 -2.520 704 HD11 ILE 89 HD11 ILE 89 -8.116 20.389 -1.883 705 HD12 ILE 89 HD12 ILE 89 -9.478 21.496 -2.064 706 HD13 ILE 89 HD13 ILE 89 -9.431 20.368 -0.709 707 H LYS 90 H LYS 90 -12.854 15.921 -2.126 708 HA LYS 90 HA LYS 90 -12.701 15.024 0.664 709 HB2 LYS 90 HB2 LYS 90 -14.991 15.784 0.323 710 HB3 LYS 90 HB3 LYS 90 -15.130 14.790 -1.121 711 HG2 LYS 90 HG2 LYS 90 -14.684 12.798 0.388 712 HG3 LYS 90 HG3 LYS 90 -14.954 13.902 1.739 713 HD2 LYS 90 HD2 LYS 90 -17.189 14.328 1.055 714 HD3 LYS 90 HD3 LYS 90 -16.935 13.529 -0.499 715 HE2 LYS 90 HE2 LYS 90 -16.821 11.393 0.517 716 HE3 LYS 90 HE3 LYS 90 -16.690 12.089 2.131 717 HZ1 LYS 90 HZ1 LYS 90 -18.989 13.072 1.597 718 HZ2 LYS 90 HZ2 LYS 90 -18.887 11.436 2.015 719 HZ3 LYS 90 HZ3 LYS 90 -19.062 11.885 0.394 720 H ARG 91 H ARG 91 -11.512 13.244 0.708 721 HA ARG 91 HA ARG 91 -10.977 11.697 -1.631 722 HB2 ARG 91 HB2 ARG 91 -9.232 11.892 -0.015 723 HB3 ARG 91 HB3 ARG 91 -10.279 11.323 1.278 724 HG2 ARG 91 HG2 ARG 91 -10.272 9.107 0.424 725 HG3 ARG 91 HG3 ARG 91 -9.484 9.622 -1.069 726 HD2 ARG 91 HD2 ARG 91 -7.685 10.498 0.721 727 HD3 ARG 91 HD3 ARG 91 -8.347 9.128 1.613 728 HE ARG 91 HE ARG 91 -6.613 9.020 -0.642 729 HH11 ARG 91 HH11 ARG 91 -9.241 7.370 0.936 730 HH12 ARG 91 HH12 ARG 91 -8.819 5.814 0.300 731 HH21 ARG 91 HH21 ARG 91 -6.046 6.977 -1.485 732 HH22 ARG 91 HH22 ARG 91 -7.001 5.592 -1.076 733 H PHE 92 H PHE 92 -11.555 9.561 -2.079 734 HA PHE 92 HA PHE 92 -13.799 8.489 -0.503 735 HB2 PHE 92 HB2 PHE 92 -13.572 8.878 -3.467 736 HB3 PHE 92 HB3 PHE 92 -14.549 7.557 -2.834 737 HD1 PHE 92 HD1 PHE 92 -14.076 11.234 -2.559 738 HD2 PHE 92 HD2 PHE 92 -16.746 7.938 -2.215 739 HE1 PHE 92 HE1 PHE 92 -15.950 12.792 -2.221 740 HE2 PHE 92 HE2 PHE 92 -18.625 9.490 -1.878 741 HZ PHE 92 HZ PHE 92 -18.229 11.921 -1.881 742 H GLY 93 H GLY 93 -11.010 7.861 -2.534 743 HA2 GLY 93 HA2 GLY 93 -9.749 5.969 -2.873 744 HA3 GLY 93 HA3 GLY 93 -10.153 5.601 -1.203 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -1.383 -0.962 0.198 2 HA2 GLY 1 HA2 GLY 1 1.243 -0.434 0.979 3 HA3 GLY 1 HA3 GLY 1 1.304 -1.011 -0.680 4 HA PRO 2 HA PRO 2 0.461 3.619 -0.500 5 HB2 PRO 2 HB2 PRO 2 2.728 4.396 -1.778 6 HB3 PRO 2 HB3 PRO 2 2.632 4.205 -0.024 7 HG2 PRO 2 HG2 PRO 2 3.730 2.322 -2.076 8 HG3 PRO 2 HG3 PRO 2 4.394 2.763 -0.491 9 HD2 PRO 2 HD2 PRO 2 3.037 0.458 -0.912 10 HD3 PRO 2 HD3 PRO 2 2.993 1.323 0.637 11 H SER 3 H SER 3 0.703 5.127 -2.531 12 HA SER 3 HA SER 3 0.563 3.760 -5.070 13 HB2 SER 3 HB2 SER 3 -1.878 4.754 -3.661 14 HB3 SER 3 HB3 SER 3 -1.784 4.950 -5.411 15 HG SER 3 HG SER 3 -1.128 2.572 -5.260 16 H ASN 4 H ASN 4 -0.245 5.472 -6.792 17 HA ASN 4 HA ASN 4 1.301 7.911 -6.256 18 HB2 ASN 4 HB2 ASN 4 0.525 6.574 -8.855 19 HB3 ASN 4 HB3 ASN 4 1.345 8.130 -8.758 20 HD21 ASN 4 HD21 ASN 4 1.617 4.728 -7.888 21 HD22 ASN 4 HD22 ASN 4 3.343 4.673 -7.913 22 H LYS 5 H LYS 5 -1.849 6.724 -7.098 23 HA LYS 5 HA LYS 5 -2.851 9.492 -7.091 24 HB2 LYS 5 HB2 LYS 5 -4.733 8.303 -8.582 25 HB3 LYS 5 HB3 LYS 5 -3.309 9.066 -9.278 26 HG2 LYS 5 HG2 LYS 5 -2.193 6.903 -9.393 27 HG3 LYS 5 HG3 LYS 5 -3.607 6.129 -8.673 28 HD2 LYS 5 HD2 LYS 5 -4.605 5.991 -10.657 29 HD3 LYS 5 HD3 LYS 5 -4.392 7.721 -10.933 30 HE2 LYS 5 HE2 LYS 5 -2.051 5.912 -11.284 31 HE3 LYS 5 HE3 LYS 5 -3.298 5.931 -12.529 32 HZ1 LYS 5 HZ1 LYS 5 -1.350 7.960 -11.827 33 HZ2 LYS 5 HZ2 LYS 5 -2.902 8.541 -12.165 34 HZ3 LYS 5 HZ3 LYS 5 -2.073 7.623 -13.320 35 H ILE 6 H ILE 6 -5.143 9.671 -6.456 36 HA ILE 6 HA ILE 6 -6.253 7.439 -4.965 37 HB ILE 6 HB ILE 6 -6.548 8.765 -2.902 38 HG12 ILE 6 HG12 ILE 6 -4.418 10.658 -3.797 39 HG13 ILE 6 HG13 ILE 6 -6.074 10.957 -4.317 40 HG21 ILE 6 HG21 ILE 6 -3.619 8.628 -3.539 41 HG22 ILE 6 HG22 ILE 6 -4.435 8.297 -2.012 42 HG23 ILE 6 HG23 ILE 6 -4.601 7.174 -3.361 43 HD11 ILE 6 HD11 ILE 6 -5.750 12.220 -2.362 44 HD12 ILE 6 HD12 ILE 6 -6.722 10.827 -1.883 45 HD13 ILE 6 HD13 ILE 6 -4.996 10.867 -1.519 46 H LYS 7 H LYS 7 -8.462 7.680 -4.469 47 HA LYS 7 HA LYS 7 -9.918 9.284 -6.315 48 HB2 LYS 7 HB2 LYS 7 -10.446 7.076 -4.599 49 HB3 LYS 7 HB3 LYS 7 -11.622 8.332 -4.231 50 HG2 LYS 7 HG2 LYS 7 -11.836 8.412 -6.861 51 HG3 LYS 7 HG3 LYS 7 -11.236 6.758 -6.718 52 HD2 LYS 7 HD2 LYS 7 -13.273 6.070 -6.159 53 HD3 LYS 7 HD3 LYS 7 -13.243 7.128 -4.747 54 HE2 LYS 7 HE2 LYS 7 -15.155 7.767 -5.956 55 HE3 LYS 7 HE3 LYS 7 -13.944 8.994 -6.326 56 HZ1 LYS 7 HZ1 LYS 7 -15.092 8.308 -8.318 57 HZ2 LYS 7 HZ2 LYS 7 -14.676 6.690 -8.050 58 HZ3 LYS 7 HZ3 LYS 7 -13.472 7.825 -8.402 59 H CYS 8 H CYS 8 -11.238 11.056 -5.957 60 HA CYS 8 HA CYS 8 -11.788 12.196 -3.450 61 HB2 CYS 8 HB2 CYS 8 -10.304 14.164 -3.524 62 HB3 CYS 8 HB3 CYS 8 -9.395 12.665 -3.369 63 HG CYS 8 HG CYS 8 -9.545 14.807 -5.991 64 H SER 9 H SER 9 -12.820 14.319 -3.625 65 HA SER 9 HA SER 9 -13.800 14.844 -6.354 66 HB2 SER 9 HB2 SER 9 -15.383 15.191 -3.799 67 HB3 SER 9 HB3 SER 9 -15.979 15.375 -5.448 68 HG SER 9 HG SER 9 -16.408 13.330 -5.368 69 H HIS 10 H HIS 10 -15.247 17.122 -5.876 70 HA HIS 10 HA HIS 10 -13.833 19.069 -4.364 71 HB2 HIS 10 HB2 HIS 10 -12.885 20.377 -6.188 72 HB3 HIS 10 HB3 HIS 10 -12.197 18.755 -6.189 73 HD1 HIS 10 HD1 HIS 10 -13.713 21.180 -8.375 74 HD2 HIS 10 HD2 HIS 10 -13.540 17.032 -8.209 75 HE1 HIS 10 HE1 HIS 10 -14.329 20.388 -10.681 76 H ILE 11 H ILE 11 -14.903 21.049 -4.294 77 HA ILE 11 HA ILE 11 -17.196 21.459 -6.046 78 HB ILE 11 HB ILE 11 -17.439 21.260 -3.044 79 HG12 ILE 11 HG12 ILE 11 -18.885 19.789 -5.258 80 HG13 ILE 11 HG13 ILE 11 -17.547 19.130 -4.322 81 HG21 ILE 11 HG21 ILE 11 -19.396 22.304 -5.082 82 HG22 ILE 11 HG22 ILE 11 -19.821 21.884 -3.423 83 HG23 ILE 11 HG23 ILE 11 -18.677 23.189 -3.736 84 HD11 ILE 11 HD11 ILE 11 -19.617 18.278 -3.469 85 HD12 ILE 11 HD12 ILE 11 -18.915 19.376 -2.281 86 HD13 ILE 11 HD13 ILE 11 -20.261 19.909 -3.288 87 H LEU 12 H LEU 12 -17.184 23.498 -6.697 88 HA LEU 12 HA LEU 12 -15.764 25.493 -5.082 89 HB2 LEU 12 HB2 LEU 12 -16.334 25.167 -7.977 90 HB3 LEU 12 HB3 LEU 12 -16.196 26.808 -7.348 91 HG LEU 12 HG LEU 12 -14.089 26.092 -8.294 92 HD11 LEU 12 HD11 LEU 12 -14.459 26.940 -5.590 93 HD12 LEU 12 HD12 LEU 12 -13.170 27.353 -6.721 94 HD13 LEU 12 HD13 LEU 12 -13.020 25.925 -5.697 95 HD21 LEU 12 HD21 LEU 12 -13.103 24.098 -7.943 96 HD22 LEU 12 HD22 LEU 12 -14.734 23.594 -7.498 97 HD23 LEU 12 HD23 LEU 12 -13.574 24.042 -6.244 98 H VAL 13 H VAL 13 -16.763 27.225 -4.222 99 HA VAL 13 HA VAL 13 -19.548 27.764 -4.990 100 HB VAL 13 HB VAL 13 -20.186 28.094 -2.658 101 HG11 VAL 13 HG11 VAL 13 -20.354 25.808 -2.019 102 HG12 VAL 13 HG12 VAL 13 -20.400 25.859 -3.782 103 HG13 VAL 13 HG13 VAL 13 -18.920 25.378 -2.951 104 HG21 VAL 13 HG21 VAL 13 -17.482 26.986 -1.918 105 HG22 VAL 13 HG22 VAL 13 -17.899 28.700 -1.862 106 HG23 VAL 13 HG23 VAL 13 -18.745 27.553 -0.823 107 H SER 14 H SER 14 -20.215 29.860 -3.569 108 HA SER 14 HA SER 14 -18.050 31.824 -3.950 109 HB2 SER 14 HB2 SER 14 -19.781 32.004 -5.713 110 HB3 SER 14 HB3 SER 14 -21.002 32.260 -4.468 111 HG SER 14 HG SER 14 -20.297 34.243 -4.162 112 H LYS 15 H LYS 15 -19.253 30.300 -1.579 113 HA LYS 15 HA LYS 15 -19.271 32.588 0.211 114 HB2 LYS 15 HB2 LYS 15 -21.535 30.588 0.258 115 HB3 LYS 15 HB3 LYS 15 -21.336 31.973 1.321 116 HG2 LYS 15 HG2 LYS 15 -21.560 33.462 -0.638 117 HG3 LYS 15 HG3 LYS 15 -21.870 32.043 -1.641 118 HD2 LYS 15 HD2 LYS 15 -23.578 31.964 0.649 119 HD3 LYS 15 HD3 LYS 15 -23.718 33.546 -0.122 120 HE2 LYS 15 HE2 LYS 15 -23.845 32.075 -2.310 121 HE3 LYS 15 HE3 LYS 15 -24.392 30.843 -1.174 122 HZ1 LYS 15 HZ1 LYS 15 -26.061 32.494 -2.325 123 HZ2 LYS 15 HZ2 LYS 15 -25.635 33.485 -1.023 124 HZ3 LYS 15 HZ3 LYS 15 -26.305 31.959 -0.739 125 H GLN 16 H GLN 16 -18.954 32.000 2.443 126 HA GLN 16 HA GLN 16 -17.199 29.765 2.733 127 HB2 GLN 16 HB2 GLN 16 -18.111 32.017 4.420 128 HB3 GLN 16 HB3 GLN 16 -17.602 30.571 5.280 129 HG2 GLN 16 HG2 GLN 16 -15.550 30.797 3.589 130 HG3 GLN 16 HG3 GLN 16 -16.022 32.492 3.689 131 HE21 GLN 16 HE21 GLN 16 -16.789 32.799 6.239 132 HE22 GLN 16 HE22 GLN 16 -15.479 32.483 7.319 133 H SER 17 H SER 17 -20.495 30.499 3.749 134 HA SER 17 HA SER 17 -20.811 28.130 5.312 135 HB2 SER 17 HB2 SER 17 -22.328 29.733 5.979 136 HB3 SER 17 HB3 SER 17 -22.610 30.305 4.335 137 HG SER 17 HG SER 17 -24.181 28.921 4.139 138 H GLU 18 H GLU 18 -20.967 28.835 1.963 139 HA GLU 18 HA GLU 18 -22.707 26.666 1.244 140 HB2 GLU 18 HB2 GLU 18 -21.007 28.613 -0.269 141 HB3 GLU 18 HB3 GLU 18 -21.651 27.198 -1.091 142 HG2 GLU 18 HG2 GLU 18 -23.457 28.994 0.470 143 HG3 GLU 18 HG3 GLU 18 -22.962 29.418 -1.168 144 H ALA 19 H ALA 19 -19.228 27.207 1.375 145 HA ALA 19 HA ALA 19 -18.665 24.561 0.313 146 HB1 ALA 19 HB1 ALA 19 -16.791 25.544 -0.347 147 HB2 ALA 19 HB2 ALA 19 -17.240 27.015 0.515 148 HB3 ALA 19 HB3 ALA 19 -16.316 25.759 1.338 149 H LEU 20 H LEU 20 -18.556 26.279 3.385 150 HA LEU 20 HA LEU 20 -17.282 24.152 4.813 151 HB2 LEU 20 HB2 LEU 20 -17.318 26.631 5.408 152 HB3 LEU 20 HB3 LEU 20 -18.945 26.344 6.021 153 HG LEU 20 HG LEU 20 -17.668 24.457 7.398 154 HD11 LEU 20 HD11 LEU 20 -15.478 25.152 8.081 155 HD12 LEU 20 HD12 LEU 20 -15.575 26.602 7.083 156 HD13 LEU 20 HD13 LEU 20 -15.500 25.012 6.323 157 HD21 LEU 20 HD21 LEU 20 -17.532 27.342 8.244 158 HD22 LEU 20 HD22 LEU 20 -17.718 25.915 9.264 159 HD23 LEU 20 HD23 LEU 20 -19.035 26.418 8.202 160 H ALA 21 H ALA 21 -20.339 24.483 3.554 161 HA ALA 21 HA ALA 21 -21.819 23.206 5.670 162 HB1 ALA 21 HB1 ALA 21 -23.323 24.416 4.508 163 HB2 ALA 21 HB2 ALA 21 -22.417 24.295 2.999 164 HB3 ALA 21 HB3 ALA 21 -23.433 22.953 3.528 165 H ILE 22 H ILE 22 -19.865 22.187 3.042 166 HA ILE 22 HA ILE 22 -21.021 19.673 2.503 167 HB ILE 22 HB ILE 22 -18.097 20.386 2.275 168 HG12 ILE 22 HG12 ILE 22 -19.440 22.064 1.123 169 HG13 ILE 22 HG13 ILE 22 -18.632 21.032 -0.052 170 HG21 ILE 22 HG21 ILE 22 -19.821 18.224 1.125 171 HG22 ILE 22 HG22 ILE 22 -18.341 18.737 0.315 172 HG23 ILE 22 HG23 ILE 22 -18.269 18.088 1.953 173 HD11 ILE 22 HD11 ILE 22 -20.670 21.012 -0.994 174 HD12 ILE 22 HD12 ILE 22 -20.964 19.728 0.179 175 HD13 ILE 22 HD13 ILE 22 -21.495 21.374 0.521 176 H MET 23 H MET 23 -18.906 20.802 5.028 177 HA MET 23 HA MET 23 -18.320 18.099 5.937 178 HB2 MET 23 HB2 MET 23 -17.008 19.277 7.713 179 HB3 MET 23 HB3 MET 23 -16.490 19.639 6.073 180 HG2 MET 23 HG2 MET 23 -17.605 21.764 6.134 181 HG3 MET 23 HG3 MET 23 -18.304 21.394 7.708 182 HE1 MET 23 HE1 MET 23 -15.038 20.321 9.306 183 HE2 MET 23 HE2 MET 23 -15.833 21.601 10.224 184 HE3 MET 23 HE3 MET 23 -16.798 20.352 9.435 185 H GLU 24 H GLU 24 -20.974 19.841 6.090 186 HA GLU 24 HA GLU 24 -21.583 19.057 8.865 187 HB2 GLU 24 HB2 GLU 24 -23.041 21.265 7.447 188 HB3 GLU 24 HB3 GLU 24 -22.920 20.954 9.172 189 HG2 GLU 24 HG2 GLU 24 -20.311 21.381 8.471 190 HG3 GLU 24 HG3 GLU 24 -21.180 22.495 7.417 191 H LYS 25 H LYS 25 -23.154 19.794 5.748 192 HA LYS 25 HA LYS 25 -25.554 18.464 6.244 193 HB2 LYS 25 HB2 LYS 25 -24.188 19.604 3.945 194 HB3 LYS 25 HB3 LYS 25 -25.105 18.166 3.510 195 HG2 LYS 25 HG2 LYS 25 -26.777 19.645 3.264 196 HG3 LYS 25 HG3 LYS 25 -26.934 19.442 5.010 197 HD2 LYS 25 HD2 LYS 25 -26.816 21.707 4.964 198 HD3 LYS 25 HD3 LYS 25 -25.082 21.374 4.968 199 HE2 LYS 25 HE2 LYS 25 -25.503 22.985 3.262 200 HE3 LYS 25 HE3 LYS 25 -25.148 21.451 2.469 201 HZ1 LYS 25 HZ1 LYS 25 -27.393 23.053 2.140 202 HZ2 LYS 25 HZ2 LYS 25 -27.920 21.654 2.933 203 HZ3 LYS 25 HZ3 LYS 25 -27.101 21.532 1.458 204 H LEU 26 H LEU 26 -22.648 17.278 4.561 205 HA LEU 26 HA LEU 26 -23.625 14.667 4.125 206 HB2 LEU 26 HB2 LEU 26 -20.749 15.525 4.399 207 HB3 LEU 26 HB3 LEU 26 -21.349 14.078 3.591 208 HG LEU 26 HG LEU 26 -21.731 16.930 2.683 209 HD11 LEU 26 HD11 LEU 26 -20.082 14.655 1.593 210 HD12 LEU 26 HD12 LEU 26 -19.484 16.158 2.297 211 HD13 LEU 26 HD13 LEU 26 -20.360 16.189 0.767 212 HD21 LEU 26 HD21 LEU 26 -23.692 15.608 2.150 213 HD22 LEU 26 HD22 LEU 26 -22.679 14.340 1.459 214 HD23 LEU 26 HD23 LEU 26 -22.758 15.924 0.687 215 H LYS 27 H LYS 27 -22.280 16.219 6.893 216 HA LYS 27 HA LYS 27 -21.204 14.084 8.308 217 HB2 LYS 27 HB2 LYS 27 -21.294 16.618 8.876 218 HB3 LYS 27 HB3 LYS 27 -22.810 16.223 9.673 219 HG2 LYS 27 HG2 LYS 27 -20.448 14.565 10.341 220 HG3 LYS 27 HG3 LYS 27 -20.487 16.222 10.948 221 HD2 LYS 27 HD2 LYS 27 -22.912 14.521 11.274 222 HD3 LYS 27 HD3 LYS 27 -21.528 14.234 12.331 223 HE2 LYS 27 HE2 LYS 27 -21.589 16.489 13.130 224 HE3 LYS 27 HE3 LYS 27 -22.804 16.935 11.933 225 HZ1 LYS 27 HZ1 LYS 27 -23.152 15.755 14.503 226 HZ2 LYS 27 HZ2 LYS 27 -23.903 14.832 13.302 227 HZ3 LYS 27 HZ3 LYS 27 -24.300 16.466 13.485 228 H SER 28 H SER 28 -24.517 14.903 7.666 229 HA SER 28 HA SER 28 -25.628 13.220 9.709 230 HB2 SER 28 HB2 SER 28 -26.813 15.211 8.773 231 HB3 SER 28 HB3 SER 28 -26.991 14.340 7.249 232 HG SER 28 HG SER 28 -28.503 14.187 9.447 233 H GLY 29 H GLY 29 -24.550 12.806 6.446 234 HA2 GLY 29 HA2 GLY 29 -23.996 10.455 5.883 235 HA3 GLY 29 HA3 GLY 29 -25.591 10.039 6.494 236 H GLU 30 H GLU 30 -24.944 12.877 4.539 237 HA GLU 30 HA GLU 30 -26.851 11.929 2.567 238 HB2 GLU 30 HB2 GLU 30 -25.349 14.531 2.430 239 HB3 GLU 30 HB3 GLU 30 -26.924 14.138 1.759 240 HG2 GLU 30 HG2 GLU 30 -26.304 14.372 4.694 241 HG3 GLU 30 HG3 GLU 30 -27.058 15.623 3.708 242 H LYS 31 H LYS 31 -25.970 13.124 0.259 243 HA LYS 31 HA LYS 31 -23.607 11.496 -0.391 244 HB2 LYS 31 HB2 LYS 31 -25.965 11.192 -1.520 245 HB3 LYS 31 HB3 LYS 31 -25.456 12.573 -2.482 246 HG2 LYS 31 HG2 LYS 31 -24.701 10.906 -3.817 247 HG3 LYS 31 HG3 LYS 31 -23.282 11.092 -2.783 248 HD2 LYS 31 HD2 LYS 31 -25.420 9.210 -1.921 249 HD3 LYS 31 HD3 LYS 31 -24.360 8.722 -3.245 250 HE2 LYS 31 HE2 LYS 31 -22.478 9.536 -1.598 251 HE3 LYS 31 HE3 LYS 31 -23.718 9.237 -0.381 252 HZ1 LYS 31 HZ1 LYS 31 -22.902 7.220 -2.395 253 HZ2 LYS 31 HZ2 LYS 31 -23.857 6.977 -1.021 254 HZ3 LYS 31 HZ3 LYS 31 -22.209 7.324 -0.855 255 H PHE 32 H PHE 32 -21.786 12.497 -0.933 256 HA PHE 32 HA PHE 32 -21.388 15.225 -0.793 257 HB2 PHE 32 HB2 PHE 32 -19.553 13.612 -0.691 258 HB3 PHE 32 HB3 PHE 32 -19.801 13.200 -2.384 259 HD1 PHE 32 HD1 PHE 32 -19.299 14.877 -4.143 260 HD2 PHE 32 HD2 PHE 32 -18.302 15.510 -0.054 261 HE1 PHE 32 HE1 PHE 32 -17.727 16.650 -4.804 262 HE2 PHE 32 HE2 PHE 32 -16.729 17.286 -0.709 263 HZ PHE 32 HZ PHE 32 -16.439 17.856 -3.087 264 H GLY 33 H GLY 33 -21.919 13.238 -3.692 265 HA2 GLY 33 HA2 GLY 33 -21.664 15.274 -5.595 266 HA3 GLY 33 HA3 GLY 33 -22.596 13.801 -5.810 267 H LYS 34 H LYS 34 -24.321 14.461 -3.489 268 HA LYS 34 HA LYS 34 -26.437 15.664 -4.831 269 HB2 LYS 34 HB2 LYS 34 -26.550 14.275 -2.724 270 HB3 LYS 34 HB3 LYS 34 -26.041 15.705 -1.837 271 HG2 LYS 34 HG2 LYS 34 -28.032 16.818 -2.231 272 HG3 LYS 34 HG3 LYS 34 -28.440 15.806 -3.618 273 HD2 LYS 34 HD2 LYS 34 -28.254 14.687 -0.836 274 HD3 LYS 34 HD3 LYS 34 -29.739 15.417 -1.450 275 HE2 LYS 34 HE2 LYS 34 -28.373 13.333 -3.084 276 HE3 LYS 34 HE3 LYS 34 -29.298 12.832 -1.669 277 HZ1 LYS 34 HZ1 LYS 34 -30.932 14.597 -2.964 278 HZ2 LYS 34 HZ2 LYS 34 -31.065 12.911 -2.991 279 HZ3 LYS 34 HZ3 LYS 34 -30.226 13.712 -4.222 280 H LEU 35 H LEU 35 -23.755 17.084 -3.170 281 HA LEU 35 HA LEU 35 -25.000 19.742 -3.342 282 HB2 LEU 35 HB2 LEU 35 -22.424 19.162 -1.934 283 HB3 LEU 35 HB3 LEU 35 -23.561 20.483 -1.668 284 HG LEU 35 HG LEU 35 -23.893 17.602 -0.842 285 HD11 LEU 35 HD11 LEU 35 -24.149 18.885 1.412 286 HD12 LEU 35 HD12 LEU 35 -23.255 20.151 0.571 287 HD13 LEU 35 HD13 LEU 35 -22.544 18.548 0.763 288 HD21 LEU 35 HD21 LEU 35 -25.961 18.683 0.318 289 HD22 LEU 35 HD22 LEU 35 -26.066 18.162 -1.363 290 HD23 LEU 35 HD23 LEU 35 -25.831 19.868 -0.981 291 H ALA 36 H ALA 36 -22.544 17.731 -4.655 292 HA ALA 36 HA ALA 36 -20.913 19.840 -5.720 293 HB1 ALA 36 HB1 ALA 36 -20.215 17.426 -5.185 294 HB2 ALA 36 HB2 ALA 36 -20.930 17.024 -6.748 295 HB3 ALA 36 HB3 ALA 36 -19.590 18.166 -6.660 296 H LYS 37 H LYS 37 -23.798 18.235 -6.682 297 HA LYS 37 HA LYS 37 -23.527 18.964 -9.481 298 HB2 LYS 37 HB2 LYS 37 -24.775 16.887 -8.302 299 HB3 LYS 37 HB3 LYS 37 -26.127 18.005 -8.427 300 HG2 LYS 37 HG2 LYS 37 -25.352 18.239 -10.901 301 HG3 LYS 37 HG3 LYS 37 -24.539 16.704 -10.591 302 HD2 LYS 37 HD2 LYS 37 -26.634 16.098 -11.451 303 HD3 LYS 37 HD3 LYS 37 -26.797 15.892 -9.706 304 HE2 LYS 37 HE2 LYS 37 -28.017 17.911 -9.492 305 HE3 LYS 37 HE3 LYS 37 -27.611 18.412 -11.134 306 HZ1 LYS 37 HZ1 LYS 37 -28.965 15.885 -11.033 307 HZ2 LYS 37 HZ2 LYS 37 -29.305 17.254 -11.966 308 HZ3 LYS 37 HZ3 LYS 37 -29.891 17.144 -10.382 309 H GLU 38 H GLU 38 -24.051 20.752 -6.898 310 HA GLU 38 HA GLU 38 -25.817 22.592 -8.338 311 HB2 GLU 38 HB2 GLU 38 -26.162 21.783 -5.446 312 HB3 GLU 38 HB3 GLU 38 -26.995 23.130 -6.209 313 HG2 GLU 38 HG2 GLU 38 -27.223 20.467 -7.490 314 HG3 GLU 38 HG3 GLU 38 -28.090 20.733 -5.978 315 H LEU 39 H LEU 39 -24.085 22.364 -5.224 316 HA LEU 39 HA LEU 39 -23.443 25.064 -5.012 317 HB2 LEU 39 HB2 LEU 39 -21.887 22.696 -3.982 318 HB3 LEU 39 HB3 LEU 39 -21.708 24.360 -3.431 319 HG LEU 39 HG LEU 39 -24.092 22.556 -3.039 320 HD11 LEU 39 HD11 LEU 39 -22.589 23.913 -0.859 321 HD12 LEU 39 HD12 LEU 39 -21.891 22.476 -1.606 322 HD13 LEU 39 HD13 LEU 39 -23.479 22.391 -0.842 323 HD21 LEU 39 HD21 LEU 39 -24.970 24.727 -3.447 324 HD22 LEU 39 HD22 LEU 39 -23.729 25.487 -2.451 325 HD23 LEU 39 HD23 LEU 39 -24.974 24.489 -1.699 326 H SER 40 H SER 40 -21.508 22.396 -6.347 327 HA SER 40 HA SER 40 -19.201 23.772 -6.979 328 HB2 SER 40 HB2 SER 40 -20.018 21.229 -7.350 329 HB3 SER 40 HB3 SER 40 -20.141 21.820 -9.007 330 HG SER 40 HG SER 40 -17.910 22.651 -8.579 331 H ILE 41 H ILE 41 -19.248 25.744 -7.886 332 HA ILE 41 HA ILE 41 -21.098 26.486 -9.934 333 HB ILE 41 HB ILE 41 -19.761 28.570 -10.087 334 HG12 ILE 41 HG12 ILE 41 -18.141 27.702 -7.736 335 HG13 ILE 41 HG13 ILE 41 -17.634 27.169 -9.335 336 HG21 ILE 41 HG21 ILE 41 -21.031 29.306 -8.423 337 HG22 ILE 41 HG22 ILE 41 -21.322 27.634 -7.949 338 HG23 ILE 41 HG23 ILE 41 -19.985 28.533 -7.233 339 HD11 ILE 41 HD11 ILE 41 -16.500 29.086 -9.386 340 HD12 ILE 41 HD12 ILE 41 -18.060 29.830 -9.736 341 HD13 ILE 41 HD13 ILE 41 -17.451 29.794 -8.081 342 H ASP 42 H ASP 42 -18.024 24.969 -9.900 343 HA ASP 42 HA ASP 42 -17.030 25.768 -12.409 344 HB2 ASP 42 HB2 ASP 42 -15.582 24.667 -10.818 345 HB3 ASP 42 HB3 ASP 42 -16.593 23.224 -10.834 346 H SER 43 H SER 43 -18.169 25.594 -14.230 347 HA SER 43 HA SER 43 -20.286 23.910 -14.759 348 HB2 SER 43 HB2 SER 43 -18.289 25.029 -16.742 349 HB3 SER 43 HB3 SER 43 -19.880 24.384 -17.150 350 HG SER 43 HG SER 43 -20.823 26.115 -16.305 351 H GLY 44 H GLY 44 -16.850 23.293 -15.056 352 HA2 GLY 44 HA2 GLY 44 -17.329 20.710 -16.333 353 HA3 GLY 44 HA3 GLY 44 -15.761 21.445 -16.028 354 H SER 45 H SER 45 -18.467 20.762 -13.829 355 HA SER 45 HA SER 45 -17.070 18.596 -12.557 356 HB2 SER 45 HB2 SER 45 -16.581 19.588 -10.474 357 HB3 SER 45 HB3 SER 45 -16.027 20.774 -11.657 358 HG SER 45 HG SER 45 -18.040 20.948 -9.803 359 H ALA 46 H ALA 46 -19.642 21.018 -12.247 360 HA ALA 46 HA ALA 46 -21.312 19.633 -10.499 361 HB1 ALA 46 HB1 ALA 46 -22.884 21.230 -10.941 362 HB2 ALA 46 HB2 ALA 46 -21.443 22.051 -11.544 363 HB3 ALA 46 HB3 ALA 46 -22.539 21.251 -12.671 364 H LYS 47 H LYS 47 -20.565 19.012 -13.788 365 HA LYS 47 HA LYS 47 -22.958 17.504 -14.357 366 HB2 LYS 47 HB2 LYS 47 -21.336 18.775 -15.998 367 HB3 LYS 47 HB3 LYS 47 -20.453 17.254 -15.973 368 HG2 LYS 47 HG2 LYS 47 -21.862 17.109 -17.831 369 HG3 LYS 47 HG3 LYS 47 -22.656 16.143 -16.584 370 HD2 LYS 47 HD2 LYS 47 -24.428 17.375 -17.377 371 HD3 LYS 47 HD3 LYS 47 -23.880 18.398 -16.048 372 HE2 LYS 47 HE2 LYS 47 -22.749 18.811 -18.778 373 HE3 LYS 47 HE3 LYS 47 -24.363 19.418 -18.414 374 HZ1 LYS 47 HZ1 LYS 47 -23.185 21.204 -17.749 375 HZ2 LYS 47 HZ2 LYS 47 -21.776 20.322 -17.438 376 HZ3 LYS 47 HZ3 LYS 47 -23.037 20.325 -16.310 377 H LYS 48 H LYS 48 -19.865 16.902 -12.967 378 HA LYS 48 HA LYS 48 -20.408 14.004 -13.019 379 HB2 LYS 48 HB2 LYS 48 -17.869 13.843 -12.590 380 HB3 LYS 48 HB3 LYS 48 -18.415 14.234 -14.216 381 HG2 LYS 48 HG2 LYS 48 -17.824 16.479 -12.366 382 HG3 LYS 48 HG3 LYS 48 -16.469 15.568 -13.039 383 HD2 LYS 48 HD2 LYS 48 -18.606 16.443 -14.906 384 HD3 LYS 48 HD3 LYS 48 -17.516 17.678 -14.274 385 HE2 LYS 48 HE2 LYS 48 -16.428 15.134 -15.414 386 HE3 LYS 48 HE3 LYS 48 -16.918 16.449 -16.481 387 HZ1 LYS 48 HZ1 LYS 48 -14.630 16.254 -14.718 388 HZ2 LYS 48 HZ2 LYS 48 -15.419 17.750 -14.690 389 HZ3 LYS 48 HZ3 LYS 48 -14.824 17.136 -16.150 390 H ASN 49 H ASN 49 -21.330 16.048 -11.100 391 HA ASN 49 HA ASN 49 -21.503 16.400 -8.854 392 HB2 ASN 49 HB2 ASN 49 -20.700 13.486 -8.909 393 HB3 ASN 49 HB3 ASN 49 -21.238 14.317 -7.452 394 HD21 ASN 49 HD21 ASN 49 -23.382 15.334 -7.552 395 HD22 ASN 49 HD22 ASN 49 -24.619 14.545 -8.465 396 H GLY 50 H GLY 50 -18.943 17.035 -10.088 397 HA2 GLY 50 HA2 GLY 50 -16.836 17.701 -9.469 398 HA3 GLY 50 HA3 GLY 50 -17.467 17.730 -7.829 399 H ASN 51 H ASN 51 -17.579 14.733 -9.520 400 HA ASN 51 HA ASN 51 -15.560 13.661 -7.702 401 HB2 ASN 51 HB2 ASN 51 -17.586 12.411 -7.668 402 HB3 ASN 51 HB3 ASN 51 -17.670 12.365 -9.426 403 HD21 ASN 51 HD21 ASN 51 -14.964 11.723 -7.244 404 HD22 ASN 51 HD22 ASN 51 -14.705 10.096 -7.760 405 H LEU 52 H LEU 52 -13.741 14.556 -8.816 406 HA LEU 52 HA LEU 52 -13.180 13.989 -11.536 407 HB2 LEU 52 HB2 LEU 52 -10.861 14.668 -10.940 408 HB3 LEU 52 HB3 LEU 52 -12.103 15.844 -10.516 409 HG LEU 52 HG LEU 52 -11.906 14.555 -8.173 410 HD11 LEU 52 HD11 LEU 52 -9.680 13.608 -9.668 411 HD12 LEU 52 HD12 LEU 52 -10.119 13.260 -7.996 412 HD13 LEU 52 HD13 LEU 52 -9.087 14.641 -8.367 413 HD21 LEU 52 HD21 LEU 52 -11.152 16.536 -7.441 414 HD22 LEU 52 HD22 LEU 52 -11.343 17.041 -9.120 415 HD23 LEU 52 HD23 LEU 52 -9.763 16.524 -8.528 416 H GLY 53 H GLY 53 -13.111 12.056 -8.766 417 HA2 GLY 53 HA2 GLY 53 -12.604 9.807 -8.577 418 HA3 GLY 53 HA3 GLY 53 -12.045 9.833 -10.243 419 H TYR 54 H TYR 54 -10.044 9.048 -10.265 420 HA TYR 54 HA TYR 54 -8.233 9.527 -8.055 421 HB2 TYR 54 HB2 TYR 54 -8.351 7.700 -10.366 422 HB3 TYR 54 HB3 TYR 54 -6.731 8.227 -9.920 423 HD1 TYR 54 HD1 TYR 54 -9.663 7.541 -7.729 424 HD2 TYR 54 HD2 TYR 54 -5.760 6.350 -8.932 425 HE1 TYR 54 HE1 TYR 54 -9.623 5.870 -5.924 426 HE2 TYR 54 HE2 TYR 54 -5.709 4.676 -7.131 427 HH TYR 54 HH TYR 54 -6.741 3.917 -5.293 428 H PHE 55 H PHE 55 -6.479 10.835 -8.056 429 HA PHE 55 HA PHE 55 -5.738 12.203 -10.539 430 HB2 PHE 55 HB2 PHE 55 -6.030 14.343 -9.725 431 HB3 PHE 55 HB3 PHE 55 -7.378 13.518 -8.950 432 HD1 PHE 55 HD2 PHE 55 -6.303 12.195 -6.687 433 HD2 PHE 55 HD1 PHE 55 -5.175 15.951 -8.340 434 HE1 PHE 55 HE2 PHE 55 -5.473 12.911 -4.485 435 HE2 PHE 55 HE1 PHE 55 -4.342 16.673 -6.140 436 HZ PHE 55 HZ PHE 55 -4.492 15.152 -4.208 437 H THR 56 H THR 56 -3.769 13.771 -9.876 438 HA THR 56 HA THR 56 -1.992 12.452 -7.978 439 HB THR 56 HB THR 56 -0.188 12.138 -9.543 440 HG1 THR 56 HG1 THR 56 -0.421 13.711 -11.053 441 HG21 THR 56 HG21 THR 56 -1.167 10.425 -11.047 442 HG22 THR 56 HG22 THR 56 -2.775 10.992 -10.597 443 HG23 THR 56 HG23 THR 56 -1.720 10.273 -9.380 444 H LYS 57 H LYS 57 0.299 13.663 -8.253 445 HA LYS 57 HA LYS 57 -0.293 16.423 -7.651 446 HB2 LYS 57 HB2 LYS 57 2.422 15.105 -7.765 447 HB3 LYS 57 HB3 LYS 57 1.984 16.580 -6.912 448 HG2 LYS 57 HG2 LYS 57 0.325 14.976 -5.655 449 HG3 LYS 57 HG3 LYS 57 1.472 13.744 -6.187 450 HD2 LYS 57 HD2 LYS 57 3.216 15.505 -5.236 451 HD3 LYS 57 HD3 LYS 57 1.827 15.972 -4.254 452 HE2 LYS 57 HE2 LYS 57 2.880 13.157 -4.491 453 HE3 LYS 57 HE3 LYS 57 3.299 14.269 -3.189 454 HZ1 LYS 57 HZ1 LYS 57 1.143 14.234 -2.362 455 HZ2 LYS 57 HZ2 LYS 57 1.415 12.620 -2.791 456 HZ3 LYS 57 HZ3 LYS 57 0.483 13.615 -3.792 457 H GLY 58 H GLY 58 -0.592 17.783 -9.303 458 HA2 GLY 58 HA2 GLY 58 0.812 19.141 -10.866 459 HA3 GLY 58 HA3 GLY 58 1.283 17.606 -11.581 460 H MET 59 H MET 59 -1.922 17.481 -10.638 461 HA MET 59 HA MET 59 -2.799 18.107 -13.378 462 HB2 MET 59 HB2 MET 59 -4.123 16.225 -11.421 463 HB3 MET 59 HB3 MET 59 -4.541 16.455 -13.113 464 HG2 MET 59 HG2 MET 59 -1.964 15.756 -13.372 465 HG3 MET 59 HG3 MET 59 -2.368 14.893 -11.889 466 HE1 MET 59 HE1 MET 59 -4.483 15.322 -15.542 467 HE2 MET 59 HE2 MET 59 -2.726 15.468 -15.469 468 HE3 MET 59 HE3 MET 59 -3.463 14.012 -16.139 469 H MET 60 H MET 60 -2.781 19.417 -10.421 470 HA MET 60 HA MET 60 -5.293 20.847 -10.909 471 HB2 MET 60 HB2 MET 60 -4.436 19.889 -8.175 472 HB3 MET 60 HB3 MET 60 -5.906 20.770 -8.568 473 HG2 MET 60 HG2 MET 60 -5.328 18.105 -9.798 474 HG3 MET 60 HG3 MET 60 -6.043 18.237 -8.193 475 HE1 MET 60 HE1 MET 60 -7.487 17.301 -11.605 476 HE2 MET 60 HE2 MET 60 -7.294 16.588 -10.003 477 HE3 MET 60 HE3 MET 60 -8.889 17.100 -10.555 478 H VAL 61 H VAL 61 -5.265 22.587 -8.816 479 HA VAL 61 HA VAL 61 -2.916 24.208 -9.443 480 HB VAL 61 HB VAL 61 -4.127 26.086 -8.534 481 HG11 VAL 61 HG11 VAL 61 -5.504 26.347 -10.307 482 HG12 VAL 61 HG12 VAL 61 -4.760 24.832 -10.826 483 HG13 VAL 61 HG13 VAL 61 -6.333 24.816 -10.028 484 HG21 VAL 61 HG21 VAL 61 -6.287 24.119 -7.781 485 HG22 VAL 61 HG22 VAL 61 -5.193 24.923 -6.655 486 HG23 VAL 61 HG23 VAL 61 -6.357 25.869 -7.582 487 H LYS 62 H LYS 62 -2.124 25.625 -7.579 488 HA LYS 62 HA LYS 62 -0.956 24.015 -5.622 489 HB2 LYS 62 HB2 LYS 62 0.245 25.941 -5.882 490 HB3 LYS 62 HB3 LYS 62 -1.191 26.933 -6.106 491 HG2 LYS 62 HG2 LYS 62 -1.575 27.082 -3.788 492 HG3 LYS 62 HG3 LYS 62 -0.431 25.785 -3.438 493 HD2 LYS 62 HD2 LYS 62 1.370 27.272 -4.385 494 HD3 LYS 62 HD3 LYS 62 0.175 28.571 -4.412 495 HE2 LYS 62 HE2 LYS 62 1.516 28.711 -2.398 496 HE3 LYS 62 HE3 LYS 62 -0.148 28.297 -1.989 497 HZ1 LYS 62 HZ1 LYS 62 0.439 26.252 -1.277 498 HZ2 LYS 62 HZ2 LYS 62 1.931 27.002 -1.007 499 HZ3 LYS 62 HZ3 LYS 62 1.690 26.075 -2.402 500 HA PRO 63 HA PRO 63 -4.151 25.779 -2.459 501 HB2 PRO 63 HB2 PRO 63 -6.254 27.177 -3.456 502 HB3 PRO 63 HB3 PRO 63 -4.725 27.937 -3.000 503 HG2 PRO 63 HG2 PRO 63 -5.707 27.136 -5.712 504 HG3 PRO 63 HG3 PRO 63 -4.871 28.620 -5.218 505 HD2 PRO 63 HD2 PRO 63 -3.597 26.569 -6.442 506 HD3 PRO 63 HD3 PRO 63 -2.798 27.613 -5.249 507 H PHE 64 H PHE 64 -4.192 23.377 -3.900 508 HA PHE 64 HA PHE 64 -6.794 22.419 -3.252 509 HB2 PHE 64 HB2 PHE 64 -7.378 23.400 -5.400 510 HB3 PHE 64 HB3 PHE 64 -6.043 22.557 -6.179 511 HD1 PHE 64 HD2 PHE 64 -6.125 20.100 -6.444 512 HD2 PHE 64 HD1 PHE 64 -9.446 22.326 -4.985 513 HE1 PHE 64 HE2 PHE 64 -7.608 18.196 -6.925 514 HE2 PHE 64 HE1 PHE 64 -10.934 20.426 -5.462 515 HZ PHE 64 HZ PHE 64 -10.016 18.357 -6.433 516 H GLU 65 H GLU 65 -4.162 21.604 -5.522 517 HA GLU 65 HA GLU 65 -4.183 18.866 -5.194 518 HB2 GLU 65 HB2 GLU 65 -2.839 19.883 -6.911 519 HB3 GLU 65 HB3 GLU 65 -1.857 20.719 -5.717 520 HG2 GLU 65 HG2 GLU 65 -1.071 18.510 -4.902 521 HG3 GLU 65 HG3 GLU 65 -1.951 17.757 -6.229 522 H ASP 66 H ASP 66 -2.275 21.244 -3.361 523 HA ASP 66 HA ASP 66 -0.961 19.462 -1.669 524 HB2 ASP 66 HB2 ASP 66 -0.398 21.863 -1.874 525 HB3 ASP 66 HB3 ASP 66 -1.882 22.269 -1.016 526 H ALA 67 H ALA 67 -4.161 20.915 -1.415 527 HA ALA 67 HA ALA 67 -4.636 19.407 1.062 528 HB1 ALA 67 HB1 ALA 67 -5.093 21.773 1.248 529 HB2 ALA 67 HB2 ALA 67 -6.175 21.703 -0.145 530 HB3 ALA 67 HB3 ALA 67 -6.603 20.867 1.347 531 H ALA 68 H ALA 68 -4.569 18.079 -1.476 532 HA ALA 68 HA ALA 68 -7.402 17.308 -1.762 533 HB1 ALA 68 HB1 ALA 68 -6.753 18.210 -3.833 534 HB2 ALA 68 HB2 ALA 68 -5.189 17.395 -3.793 535 HB3 ALA 68 HB3 ALA 68 -6.664 16.461 -4.046 536 H PHE 69 H PHE 69 -4.197 16.273 -1.049 537 HA PHE 69 HA PHE 69 -5.139 13.484 -0.893 538 HB2 PHE 69 HB2 PHE 69 -2.620 12.945 -1.088 539 HB3 PHE 69 HB3 PHE 69 -3.481 13.422 -2.547 540 HD1 PHE 69 HD2 PHE 69 -1.702 15.118 0.266 541 HD2 PHE 69 HD1 PHE 69 -2.348 14.842 -3.932 542 HE1 PHE 69 HE2 PHE 69 -0.070 16.924 -0.100 543 HE2 PHE 69 HE1 PHE 69 -0.717 16.646 -4.305 544 HZ PHE 69 HZ PHE 69 0.423 17.690 -2.387 545 H LYS 70 H LYS 70 -4.488 16.092 0.921 546 HA LYS 70 HA LYS 70 -3.039 14.721 3.048 547 HB2 LYS 70 HB2 LYS 70 -2.735 16.819 4.048 548 HB3 LYS 70 HB3 LYS 70 -2.628 17.152 2.324 549 HG2 LYS 70 HG2 LYS 70 -4.957 17.916 2.336 550 HG3 LYS 70 HG3 LYS 70 -5.037 17.610 4.072 551 HD2 LYS 70 HD2 LYS 70 -3.099 19.203 4.323 552 HD3 LYS 70 HD3 LYS 70 -3.329 19.627 2.625 553 HE2 LYS 70 HE2 LYS 70 -5.756 20.113 3.265 554 HE3 LYS 70 HE3 LYS 70 -5.200 20.056 4.937 555 HZ1 LYS 70 HZ1 LYS 70 -3.623 21.725 3.175 556 HZ2 LYS 70 HZ2 LYS 70 -4.168 22.022 4.748 557 HZ3 LYS 70 HZ3 LYS 70 -5.205 22.266 3.434 558 H LEU 71 H LEU 71 -5.972 14.315 2.121 559 HA LEU 71 HA LEU 71 -7.285 14.753 4.711 560 HB2 LEU 71 HB2 LEU 71 -8.696 13.785 2.262 561 HB3 LEU 71 HB3 LEU 71 -9.334 14.694 3.630 562 HG LEU 71 HG LEU 71 -7.449 15.864 1.591 563 HD11 LEU 71 HD11 LEU 71 -9.409 16.914 0.588 564 HD12 LEU 71 HD12 LEU 71 -10.458 16.020 1.687 565 HD13 LEU 71 HD13 LEU 71 -9.503 15.155 0.484 566 HD21 LEU 71 HD21 LEU 71 -7.737 16.859 3.942 567 HD22 LEU 71 HD22 LEU 71 -9.350 17.322 3.396 568 HD23 LEU 71 HD23 LEU 71 -7.924 17.933 2.555 569 H GLN 72 H GLN 72 -8.899 12.980 5.301 570 HA GLN 72 HA GLN 72 -7.469 10.438 5.226 571 HB2 GLN 72 HB2 GLN 72 -8.756 11.776 7.256 572 HB3 GLN 72 HB3 GLN 72 -9.937 10.554 6.799 573 HG2 GLN 72 HG2 GLN 72 -8.472 8.792 7.301 574 HG3 GLN 72 HG3 GLN 72 -7.075 9.864 7.362 575 HE21 GLN 72 HE21 GLN 72 -9.183 8.151 9.191 576 HE22 GLN 72 HE22 GLN 72 -9.046 9.011 10.683 577 H VAL 73 H VAL 73 -8.873 8.429 5.144 578 HA VAL 73 HA VAL 73 -10.182 8.306 2.659 579 HB VAL 73 HB VAL 73 -10.400 6.341 4.943 580 HG11 VAL 73 HG11 VAL 73 -11.188 6.275 2.071 581 HG12 VAL 73 HG12 VAL 73 -10.626 4.790 2.838 582 HG13 VAL 73 HG13 VAL 73 -12.028 5.642 3.485 583 HG21 VAL 73 HG21 VAL 73 -8.080 6.706 4.423 584 HG22 VAL 73 HG22 VAL 73 -8.571 5.144 3.765 585 HG23 VAL 73 HG23 VAL 73 -8.398 6.537 2.696 586 H GLY 74 H GLY 74 -11.926 9.634 2.419 587 HA2 GLY 74 HA2 GLY 74 -14.271 9.828 2.416 588 HA3 GLY 74 HA3 GLY 74 -14.332 8.851 3.876 589 H GLU 75 H GLU 75 -12.102 11.496 3.700 590 HA GLU 75 HA GLU 75 -13.778 12.968 5.621 591 HB2 GLU 75 HB2 GLU 75 -10.908 12.373 5.491 592 HB3 GLU 75 HB3 GLU 75 -11.267 14.058 5.842 593 HG2 GLU 75 HG2 GLU 75 -10.977 12.673 7.859 594 HG3 GLU 75 HG3 GLU 75 -12.556 13.449 7.765 595 H VAL 76 H VAL 76 -14.053 15.187 5.410 596 HA VAL 76 HA VAL 76 -13.637 16.201 2.699 597 HB VAL 76 HB VAL 76 -15.277 17.378 4.947 598 HG11 VAL 76 HG11 VAL 76 -14.924 18.122 2.057 599 HG12 VAL 76 HG12 VAL 76 -16.337 18.617 2.990 600 HG13 VAL 76 HG13 VAL 76 -14.725 19.136 3.486 601 HG21 VAL 76 HG21 VAL 76 -16.081 15.169 4.145 602 HG22 VAL 76 HG22 VAL 76 -17.214 16.484 3.834 603 HG23 VAL 76 HG23 VAL 76 -16.219 15.851 2.524 604 H SER 77 H SER 77 -12.480 18.023 2.223 605 HA SER 77 HA SER 77 -10.511 18.832 4.174 606 HB2 SER 77 HB2 SER 77 -10.177 18.468 1.616 607 HB3 SER 77 HB3 SER 77 -10.823 20.103 1.468 608 HG SER 77 HG SER 77 -8.794 19.676 3.333 609 H GLU 78 H GLU 78 -10.022 21.448 3.624 610 HA GLU 78 HA GLU 78 -12.366 22.748 4.812 611 HB2 GLU 78 HB2 GLU 78 -9.858 24.277 4.624 612 HB3 GLU 78 HB3 GLU 78 -10.951 24.066 5.984 613 HG2 GLU 78 HG2 GLU 78 -9.998 21.853 6.404 614 HG3 GLU 78 HG3 GLU 78 -8.891 22.080 5.051 615 HA PRO 79 HA PRO 79 -13.246 25.276 1.338 616 HB2 PRO 79 HB2 PRO 79 -13.776 27.687 2.466 617 HB3 PRO 79 HB3 PRO 79 -14.865 26.302 2.605 618 HG2 PRO 79 HG2 PRO 79 -12.858 27.336 4.569 619 HG3 PRO 79 HG3 PRO 79 -14.512 26.766 4.856 620 HD2 PRO 79 HD2 PRO 79 -12.338 25.226 5.334 621 HD3 PRO 79 HD3 PRO 79 -13.891 24.547 4.806 622 H ILE 80 H ILE 80 -11.014 25.138 0.538 623 HA ILE 80 HA ILE 80 -9.131 27.194 1.186 624 HB ILE 80 HB ILE 80 -9.092 25.414 -1.248 625 HG12 ILE 80 HG12 ILE 80 -9.358 24.085 0.828 626 HG13 ILE 80 HG13 ILE 80 -7.798 23.822 0.058 627 HG21 ILE 80 HG21 ILE 80 -7.432 26.968 -1.584 628 HG22 ILE 80 HG22 ILE 80 -7.110 27.156 0.139 629 HG23 ILE 80 HG23 ILE 80 -6.550 25.715 -0.710 630 HD11 ILE 80 HD11 ILE 80 -6.646 24.892 1.725 631 HD12 ILE 80 HD12 ILE 80 -8.038 25.857 2.216 632 HD13 ILE 80 HD13 ILE 80 -7.962 24.145 2.630 633 H LYS 81 H LYS 81 -9.488 29.241 0.638 634 HA LYS 81 HA LYS 81 -11.124 29.992 -1.589 635 HB2 LYS 81 HB2 LYS 81 -10.953 31.310 0.526 636 HB3 LYS 81 HB3 LYS 81 -9.302 31.729 0.087 637 HG2 LYS 81 HG2 LYS 81 -10.088 33.482 -1.006 638 HG3 LYS 81 HG3 LYS 81 -10.885 32.384 -2.134 639 HD2 LYS 81 HD2 LYS 81 -12.846 32.314 -0.645 640 HD3 LYS 81 HD3 LYS 81 -12.047 33.457 0.438 641 HE2 LYS 81 HE2 LYS 81 -13.638 34.596 -1.015 642 HE3 LYS 81 HE3 LYS 81 -11.989 35.117 -1.355 643 HZ1 LYS 81 HZ1 LYS 81 -11.933 33.773 -3.297 644 HZ2 LYS 81 HZ2 LYS 81 -13.366 34.669 -3.356 645 HZ3 LYS 81 HZ3 LYS 81 -13.408 33.035 -2.921 646 H SER 82 H SER 82 -10.456 29.883 -3.622 647 HA SER 82 HA SER 82 -7.717 30.756 -4.247 648 HB2 SER 82 HB2 SER 82 -8.919 28.634 -5.950 649 HB3 SER 82 HB3 SER 82 -7.234 28.902 -5.506 650 HG SER 82 HG SER 82 -8.074 27.049 -4.484 651 H GLU 83 H GLU 83 -7.702 30.714 -6.915 652 HA GLU 83 HA GLU 83 -9.094 33.004 -7.664 653 HB2 GLU 83 HB2 GLU 83 -8.427 32.483 -9.952 654 HB3 GLU 83 HB3 GLU 83 -7.099 32.193 -8.837 655 HG2 GLU 83 HG2 GLU 83 -7.933 29.749 -8.848 656 HG3 GLU 83 HG3 GLU 83 -8.779 30.219 -10.321 657 H PHE 84 H PHE 84 -10.097 29.697 -7.614 658 HA PHE 84 HA PHE 84 -12.450 30.260 -9.254 659 HB2 PHE 84 HB2 PHE 84 -11.656 27.631 -7.993 660 HB3 PHE 84 HB3 PHE 84 -12.831 27.887 -9.279 661 HD1 PHE 84 HD1 PHE 84 -11.664 29.376 -11.295 662 HD2 PHE 84 HD2 PHE 84 -9.740 26.609 -8.696 663 HE1 PHE 84 HE1 PHE 84 -9.900 29.028 -12.976 664 HE2 PHE 84 HE2 PHE 84 -7.974 26.258 -10.371 665 HZ PHE 84 HZ PHE 84 -8.052 27.468 -12.515 666 H GLY 85 H GLY 85 -11.488 29.943 -5.969 667 HA2 GLY 85 HA2 GLY 85 -13.165 30.998 -4.429 668 HA3 GLY 85 HA3 GLY 85 -14.325 29.887 -5.142 669 H TYR 86 H TYR 86 -14.783 29.050 -3.059 670 HA TYR 86 HA TYR 86 -12.716 27.829 -1.488 671 HB2 TYR 86 HB2 TYR 86 -15.729 27.697 -1.291 672 HB3 TYR 86 HB3 TYR 86 -14.628 26.981 -0.119 673 HD1 TYR 86 HD2 TYR 86 -12.698 28.808 0.603 674 HD2 TYR 86 HD1 TYR 86 -16.679 29.678 -0.619 675 HE1 TYR 86 HE2 TYR 86 -12.597 30.943 1.818 676 HE2 TYR 86 HE1 TYR 86 -16.589 31.816 0.591 677 HH TYR 86 HH TYR 86 -14.540 33.430 1.326 678 H HIS 87 H HIS 87 -11.832 25.918 -1.861 679 HA HIS 87 HA HIS 87 -13.220 24.014 -3.601 680 HB2 HIS 87 HB2 HIS 87 -10.343 24.281 -2.735 681 HB3 HIS 87 HB3 HIS 87 -10.944 22.854 -3.576 682 HD1 HIS 87 HD1 HIS 87 -11.323 23.041 -6.081 683 HD2 HIS 87 HD2 HIS 87 -10.286 26.652 -4.308 684 HE1 HIS 87 HE1 HIS 87 -10.850 24.614 -7.985 685 H ILE 88 H ILE 88 -14.169 22.262 -2.803 686 HA ILE 88 HA ILE 88 -13.492 21.436 -0.057 687 HB ILE 88 HB ILE 88 -16.091 21.048 -1.546 688 HG12 ILE 88 HG12 ILE 88 -15.734 23.371 -0.848 689 HG13 ILE 88 HG13 ILE 88 -17.011 22.621 0.103 690 HG21 ILE 88 HG21 ILE 88 -16.494 19.406 -0.107 691 HG22 ILE 88 HG22 ILE 88 -14.975 19.708 0.733 692 HG23 ILE 88 HG23 ILE 88 -16.430 20.592 1.196 693 HD11 ILE 88 HD11 ILE 88 -14.202 23.254 0.942 694 HD12 ILE 88 HD12 ILE 88 -15.714 23.872 1.609 695 HD13 ILE 88 HD13 ILE 88 -15.260 22.188 1.868 696 H ILE 89 H ILE 89 -11.795 20.068 -0.777 697 HA ILE 89 HA ILE 89 -12.380 17.903 -2.596 698 HB ILE 89 HB ILE 89 -9.925 18.172 -0.872 699 HG12 ILE 89 HG12 ILE 89 -9.286 19.088 -3.423 700 HG13 ILE 89 HG13 ILE 89 -10.833 19.851 -3.070 701 HG21 ILE 89 HG21 ILE 89 -10.782 16.209 -2.656 702 HG22 ILE 89 HG22 ILE 89 -9.563 17.130 -3.534 703 HG23 ILE 89 HG23 ILE 89 -9.166 16.400 -1.978 704 HD11 ILE 89 HD11 ILE 89 -9.534 21.414 -2.125 705 HD12 ILE 89 HD12 ILE 89 -9.531 20.301 -0.756 706 HD13 ILE 89 HD13 ILE 89 -8.183 20.304 -1.893 707 H LYS 90 H LYS 90 -12.942 15.872 -2.093 708 HA LYS 90 HA LYS 90 -12.749 15.003 0.706 709 HB2 LYS 90 HB2 LYS 90 -15.030 15.682 0.484 710 HB3 LYS 90 HB3 LYS 90 -15.186 14.870 -1.068 711 HG2 LYS 90 HG2 LYS 90 -14.948 12.704 0.040 712 HG3 LYS 90 HG3 LYS 90 -14.799 13.522 1.598 713 HD2 LYS 90 HD2 LYS 90 -17.057 14.536 1.168 714 HD3 LYS 90 HD3 LYS 90 -17.193 13.473 -0.235 715 HE2 LYS 90 HE2 LYS 90 -16.537 11.654 1.605 716 HE3 LYS 90 HE3 LYS 90 -17.307 12.839 2.659 717 HZ1 LYS 90 HZ1 LYS 90 -18.985 11.361 1.970 718 HZ2 LYS 90 HZ2 LYS 90 -18.500 11.415 0.351 719 HZ3 LYS 90 HZ3 LYS 90 -19.227 12.767 1.061 720 H ARG 91 H ARG 91 -11.601 13.198 0.800 721 HA ARG 91 HA ARG 91 -11.038 11.634 -1.526 722 HB2 ARG 91 HB2 ARG 91 -9.361 11.939 0.225 723 HB3 ARG 91 HB3 ARG 91 -10.404 11.131 1.387 724 HG2 ARG 91 HG2 ARG 91 -10.178 9.046 0.247 725 HG3 ARG 91 HG3 ARG 91 -9.329 9.816 -1.096 726 HD2 ARG 91 HD2 ARG 91 -7.389 10.098 0.120 727 HD3 ARG 91 HD3 ARG 91 -8.230 10.052 1.669 728 HE ARG 91 HE ARG 91 -8.586 7.553 0.710 729 HH11 ARG 91 HH11 ARG 91 -5.776 9.564 1.135 730 HH12 ARG 91 HH12 ARG 91 -4.702 8.231 1.402 731 HH21 ARG 91 HH21 ARG 91 -7.181 5.790 1.059 732 HH22 ARG 91 HH22 ARG 91 -5.503 6.084 1.358 733 H PHE 92 H PHE 92 -11.574 9.458 -1.910 734 HA PHE 92 HA PHE 92 -13.820 8.397 -0.336 735 HB2 PHE 92 HB2 PHE 92 -13.633 8.698 -3.327 736 HB3 PHE 92 HB3 PHE 92 -14.705 7.516 -2.584 737 HD1 PHE 92 HD1 PHE 92 -13.906 11.141 -2.627 738 HD2 PHE 92 HD2 PHE 92 -16.825 8.136 -1.869 739 HE1 PHE 92 HE1 PHE 92 -15.622 12.883 -2.343 740 HE2 PHE 92 HE2 PHE 92 -18.544 9.873 -1.585 741 HZ PHE 92 HZ PHE 92 -17.944 12.250 -1.823 742 H GLY 93 H GLY 93 -11.093 7.783 -2.464 743 HA2 GLY 93 HA2 GLY 93 -9.845 5.892 -2.853 744 HA3 GLY 93 HA3 GLY 93 -10.176 5.530 -1.165 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.020 2.550 2.224 2 HA2 GLY 1 HA2 GLY 1 1.043 1.216 0.095 3 HA3 GLY 1 HA3 GLY 1 -0.709 1.206 0.240 4 HA PRO 2 HA PRO 2 0.542 5.777 -0.755 5 HB2 PRO 2 HB2 PRO 2 3.128 6.191 -1.469 6 HB3 PRO 2 HB3 PRO 2 2.563 6.302 0.203 7 HG2 PRO 2 HG2 PRO 2 3.954 4.041 -1.181 8 HG3 PRO 2 HG3 PRO 2 4.230 4.698 0.442 9 HD2 PRO 2 HD2 PRO 2 2.798 2.441 0.008 10 HD3 PRO 2 HD3 PRO 2 2.444 3.553 1.346 11 H SER 3 H SER 3 -0.672 5.448 -2.598 12 HA SER 3 HA SER 3 0.586 4.307 -4.962 13 HB2 SER 3 HB2 SER 3 -1.802 3.793 -4.254 14 HB3 SER 3 HB3 SER 3 -2.210 5.434 -4.755 15 HG SER 3 HG SER 3 -2.483 3.705 -6.368 16 H ASN 4 H ASN 4 0.212 5.461 -7.080 17 HA ASN 4 HA ASN 4 1.359 8.080 -6.904 18 HB2 ASN 4 HB2 ASN 4 0.522 6.298 -9.178 19 HB3 ASN 4 HB3 ASN 4 1.007 7.966 -9.470 20 HD21 ASN 4 HD21 ASN 4 2.035 4.791 -8.618 21 HD22 ASN 4 HD22 ASN 4 3.735 5.098 -8.657 22 H LYS 5 H LYS 5 -1.829 6.789 -7.295 23 HA LYS 5 HA LYS 5 -2.884 9.524 -7.430 24 HB2 LYS 5 HB2 LYS 5 -4.779 8.204 -8.835 25 HB3 LYS 5 HB3 LYS 5 -3.446 9.081 -9.577 26 HG2 LYS 5 HG2 LYS 5 -2.164 6.999 -9.720 27 HG3 LYS 5 HG3 LYS 5 -3.516 6.125 -8.997 28 HD2 LYS 5 HD2 LYS 5 -3.820 5.761 -11.271 29 HD3 LYS 5 HD3 LYS 5 -4.896 7.124 -10.945 30 HE2 LYS 5 HE2 LYS 5 -3.140 8.662 -11.729 31 HE3 LYS 5 HE3 LYS 5 -2.114 7.278 -12.104 32 HZ1 LYS 5 HZ1 LYS 5 -4.717 7.955 -13.358 33 HZ2 LYS 5 HZ2 LYS 5 -3.875 6.515 -13.641 34 HZ3 LYS 5 HZ3 LYS 5 -3.193 7.996 -14.092 35 H ILE 6 H ILE 6 -5.125 9.698 -6.691 36 HA ILE 6 HA ILE 6 -6.168 7.466 -5.149 37 HB ILE 6 HB ILE 6 -6.406 8.801 -3.090 38 HG12 ILE 6 HG12 ILE 6 -4.350 10.736 -4.048 39 HG13 ILE 6 HG13 ILE 6 -6.014 10.987 -4.563 40 HG21 ILE 6 HG21 ILE 6 -4.445 7.249 -3.597 41 HG22 ILE 6 HG22 ILE 6 -3.503 8.717 -3.846 42 HG23 ILE 6 HG23 ILE 6 -4.244 8.401 -2.277 43 HD11 ILE 6 HD11 ILE 6 -5.471 12.269 -2.563 44 HD12 ILE 6 HD12 ILE 6 -6.731 11.075 -2.245 45 HD13 ILE 6 HD13 ILE 6 -5.077 10.776 -1.711 46 H LYS 7 H LYS 7 -8.362 7.692 -4.575 47 HA LYS 7 HA LYS 7 -9.885 9.289 -6.387 48 HB2 LYS 7 HB2 LYS 7 -10.337 7.030 -4.725 49 HB3 LYS 7 HB3 LYS 7 -11.520 8.253 -4.281 50 HG2 LYS 7 HG2 LYS 7 -11.800 8.409 -6.908 51 HG3 LYS 7 HG3 LYS 7 -11.196 6.753 -6.817 52 HD2 LYS 7 HD2 LYS 7 -13.260 6.097 -6.315 53 HD3 LYS 7 HD3 LYS 7 -13.116 6.972 -4.789 54 HE2 LYS 7 HE2 LYS 7 -15.077 7.789 -5.805 55 HE3 LYS 7 HE3 LYS 7 -13.857 9.032 -6.068 56 HZ1 LYS 7 HZ1 LYS 7 -13.715 7.290 -8.224 57 HZ2 LYS 7 HZ2 LYS 7 -14.275 8.886 -8.222 58 HZ3 LYS 7 HZ3 LYS 7 -15.359 7.609 -7.980 59 H CYS 8 H CYS 8 -11.217 11.036 -5.968 60 HA CYS 8 HA CYS 8 -11.754 12.107 -3.429 61 HB2 CYS 8 HB2 CYS 8 -10.291 14.076 -3.439 62 HB3 CYS 8 HB3 CYS 8 -9.350 12.591 -3.388 63 HG CYS 8 HG CYS 8 -9.533 14.929 -5.809 64 H SER 9 H SER 9 -12.807 14.226 -3.542 65 HA SER 9 HA SER 9 -13.840 14.788 -6.247 66 HB2 SER 9 HB2 SER 9 -15.355 15.109 -3.647 67 HB3 SER 9 HB3 SER 9 -15.994 15.319 -5.278 68 HG SER 9 HG SER 9 -16.537 13.291 -4.966 69 H HIS 10 H HIS 10 -15.264 17.064 -5.733 70 HA HIS 10 HA HIS 10 -13.870 19.004 -4.216 71 HB2 HIS 10 HB2 HIS 10 -12.840 20.299 -5.996 72 HB3 HIS 10 HB3 HIS 10 -12.184 18.664 -6.000 73 HD1 HIS 10 HD1 HIS 10 -13.494 21.142 -8.220 74 HD2 HIS 10 HD2 HIS 10 -13.605 16.991 -8.051 75 HE1 HIS 10 HE1 HIS 10 -14.087 20.389 -10.546 76 H ILE 11 H ILE 11 -14.924 20.997 -4.191 77 HA ILE 11 HA ILE 11 -17.171 21.399 -6.008 78 HB ILE 11 HB ILE 11 -17.478 21.273 -3.007 79 HG12 ILE 11 HG12 ILE 11 -18.917 19.756 -5.192 80 HG13 ILE 11 HG13 ILE 11 -17.559 19.116 -4.273 81 HG21 ILE 11 HG21 ILE 11 -19.384 22.269 -5.117 82 HG22 ILE 11 HG22 ILE 11 -19.851 21.891 -3.459 83 HG23 ILE 11 HG23 ILE 11 -18.695 23.184 -3.776 84 HD11 ILE 11 HD11 ILE 11 -19.634 18.275 -3.390 85 HD12 ILE 11 HD12 ILE 11 -18.881 19.353 -2.214 86 HD13 ILE 11 HD13 ILE 11 -20.245 19.916 -3.179 87 H LEU 12 H LEU 12 -17.182 23.436 -6.675 88 HA LEU 12 HA LEU 12 -15.752 25.447 -5.085 89 HB2 LEU 12 HB2 LEU 12 -16.273 25.060 -7.979 90 HB3 LEU 12 HB3 LEU 12 -16.161 26.718 -7.387 91 HG LEU 12 HG LEU 12 -14.029 26.001 -8.275 92 HD11 LEU 12 HD11 LEU 12 -13.130 27.288 -6.713 93 HD12 LEU 12 HD12 LEU 12 -13.029 25.894 -5.638 94 HD13 LEU 12 HD13 LEU 12 -14.461 26.925 -5.614 95 HD21 LEU 12 HD21 LEU 12 -13.040 24.021 -7.871 96 HD22 LEU 12 HD22 LEU 12 -14.671 23.516 -7.427 97 HD23 LEU 12 HD23 LEU 12 -13.526 24.003 -6.176 98 H VAL 13 H VAL 13 -16.753 27.195 -4.263 99 HA VAL 13 HA VAL 13 -19.537 27.713 -5.060 100 HB VAL 13 HB VAL 13 -20.159 28.148 -2.740 101 HG11 VAL 13 HG11 VAL 13 -20.390 25.870 -3.756 102 HG12 VAL 13 HG12 VAL 13 -18.895 25.420 -2.933 103 HG13 VAL 13 HG13 VAL 13 -20.313 25.890 -1.995 104 HG21 VAL 13 HG21 VAL 13 -18.712 27.721 -0.896 105 HG22 VAL 13 HG22 VAL 13 -17.466 27.051 -1.949 106 HG23 VAL 13 HG23 VAL 13 -17.839 28.773 -2.010 107 H SER 14 H SER 14 -20.172 29.862 -3.651 108 HA SER 14 HA SER 14 -18.134 31.839 -4.427 109 HB2 SER 14 HB2 SER 14 -20.135 32.191 -5.688 110 HB3 SER 14 HB3 SER 14 -21.145 32.041 -4.249 111 HG SER 14 HG SER 14 -20.759 34.058 -3.775 112 H LYS 15 H LYS 15 -19.984 30.579 -1.810 113 HA LYS 15 HA LYS 15 -18.694 32.501 -0.004 114 HB2 LYS 15 HB2 LYS 15 -20.851 32.392 1.379 115 HB3 LYS 15 HB3 LYS 15 -20.865 33.389 -0.070 116 HG2 LYS 15 HG2 LYS 15 -22.051 31.689 -1.290 117 HG3 LYS 15 HG3 LYS 15 -21.930 30.576 0.075 118 HD2 LYS 15 HD2 LYS 15 -23.075 32.911 1.109 119 HD3 LYS 15 HD3 LYS 15 -23.875 32.638 -0.442 120 HE2 LYS 15 HE2 LYS 15 -24.765 30.621 0.220 121 HE3 LYS 15 HE3 LYS 15 -23.507 30.341 1.423 122 HZ1 LYS 15 HZ1 LYS 15 -25.813 32.193 1.622 123 HZ2 LYS 15 HZ2 LYS 15 -24.515 32.217 2.705 124 HZ3 LYS 15 HZ3 LYS 15 -25.489 30.839 2.584 125 H GLN 16 H GLN 16 -18.185 31.706 2.048 126 HA GLN 16 HA GLN 16 -17.521 28.985 2.197 127 HB2 GLN 16 HB2 GLN 16 -17.095 29.487 4.637 128 HB3 GLN 16 HB3 GLN 16 -16.244 30.513 3.489 129 HG2 GLN 16 HG2 GLN 16 -17.431 32.370 4.049 130 HG3 GLN 16 HG3 GLN 16 -18.869 31.452 4.493 131 HE21 GLN 16 HE21 GLN 16 -16.219 33.141 5.627 132 HE22 GLN 16 HE22 GLN 16 -16.278 32.647 7.281 133 H SER 17 H SER 17 -20.392 30.711 3.080 134 HA SER 17 HA SER 17 -21.498 28.956 4.952 135 HB2 SER 17 HB2 SER 17 -22.578 31.011 3.086 136 HB3 SER 17 HB3 SER 17 -23.725 29.874 3.794 137 HG SER 17 HG SER 17 -23.611 31.016 5.540 138 H GLU 18 H GLU 18 -21.027 28.612 1.570 139 HA GLU 18 HA GLU 18 -22.932 26.391 1.410 140 HB2 GLU 18 HB2 GLU 18 -21.430 27.962 -0.676 141 HB3 GLU 18 HB3 GLU 18 -22.258 26.459 -1.060 142 HG2 GLU 18 HG2 GLU 18 -23.774 28.594 0.345 143 HG3 GLU 18 HG3 GLU 18 -23.424 28.791 -1.372 144 H ALA 19 H ALA 19 -19.513 27.128 0.785 145 HA ALA 19 HA ALA 19 -18.724 24.519 0.102 146 HB1 ALA 19 HB1 ALA 19 -16.514 25.725 1.304 147 HB2 ALA 19 HB2 ALA 19 -16.919 25.708 -0.412 148 HB3 ALA 19 HB3 ALA 19 -17.445 27.049 0.604 149 H LEU 20 H LEU 20 -18.615 26.234 3.215 150 HA LEU 20 HA LEU 20 -17.521 24.060 4.669 151 HB2 LEU 20 HB2 LEU 20 -17.694 26.605 5.236 152 HB3 LEU 20 HB3 LEU 20 -19.236 26.141 5.952 153 HG LEU 20 HG LEU 20 -16.794 24.642 6.762 154 HD11 LEU 20 HD11 LEU 20 -17.506 27.393 7.771 155 HD12 LEU 20 HD12 LEU 20 -16.057 26.954 6.867 156 HD13 LEU 20 HD13 LEU 20 -16.311 26.312 8.489 157 HD21 LEU 20 HD21 LEU 20 -18.457 25.397 8.908 158 HD22 LEU 20 HD22 LEU 20 -18.271 23.799 8.184 159 HD23 LEU 20 HD23 LEU 20 -19.516 24.898 7.588 160 H ALA 21 H ALA 21 -20.590 24.581 3.380 161 HA ALA 21 HA ALA 21 -22.115 23.201 5.385 162 HB1 ALA 21 HB1 ALA 21 -23.964 23.643 4.102 163 HB2 ALA 21 HB2 ALA 21 -22.885 24.937 3.578 164 HB3 ALA 21 HB3 ALA 21 -23.082 23.495 2.582 165 H ILE 22 H ILE 22 -19.915 22.185 3.102 166 HA ILE 22 HA ILE 22 -21.204 19.746 2.296 167 HB ILE 22 HB ILE 22 -18.294 20.527 2.094 168 HG12 ILE 22 HG12 ILE 22 -19.712 22.090 0.878 169 HG13 ILE 22 HG13 ILE 22 -18.845 21.062 -0.259 170 HG21 ILE 22 HG21 ILE 22 -19.867 18.192 1.128 171 HG22 ILE 22 HG22 ILE 22 -18.550 18.803 0.129 172 HG23 ILE 22 HG23 ILE 22 -18.227 18.259 1.775 173 HD11 ILE 22 HD11 ILE 22 -21.741 21.144 0.399 174 HD12 ILE 22 HD12 ILE 22 -20.937 21.053 -1.169 175 HD13 ILE 22 HD13 ILE 22 -21.027 19.624 -0.139 176 H MET 23 H MET 23 -19.363 20.782 4.998 177 HA MET 23 HA MET 23 -18.764 18.021 5.785 178 HB2 MET 23 HB2 MET 23 -17.434 19.145 7.619 179 HB3 MET 23 HB3 MET 23 -16.850 19.413 5.983 180 HG2 MET 23 HG2 MET 23 -17.872 21.609 5.950 181 HG3 MET 23 HG3 MET 23 -18.543 21.340 7.556 182 HE1 MET 23 HE1 MET 23 -15.275 20.096 9.046 183 HE2 MET 23 HE2 MET 23 -15.945 21.435 9.979 184 HE3 MET 23 HE3 MET 23 -17.022 20.236 9.259 185 H GLU 24 H GLU 24 -21.239 20.121 6.073 186 HA GLU 24 HA GLU 24 -21.953 19.148 8.762 187 HB2 GLU 24 HB2 GLU 24 -23.065 21.155 9.239 188 HB3 GLU 24 HB3 GLU 24 -21.578 21.666 8.452 189 HG2 GLU 24 HG2 GLU 24 -23.073 22.988 7.366 190 HG3 GLU 24 HG3 GLU 24 -23.078 21.587 6.296 191 H LYS 25 H LYS 25 -22.977 19.682 5.467 192 HA LYS 25 HA LYS 25 -25.709 19.055 5.778 193 HB2 LYS 25 HB2 LYS 25 -24.825 20.167 3.780 194 HB3 LYS 25 HB3 LYS 25 -23.920 18.718 3.362 195 HG2 LYS 25 HG2 LYS 25 -25.944 18.924 2.027 196 HG3 LYS 25 HG3 LYS 25 -25.997 17.489 3.052 197 HD2 LYS 25 HD2 LYS 25 -27.616 18.376 4.435 198 HD3 LYS 25 HD3 LYS 25 -27.188 20.042 4.043 199 HE2 LYS 25 HE2 LYS 25 -28.383 18.183 2.009 200 HE3 LYS 25 HE3 LYS 25 -29.386 19.129 3.108 201 HZ1 LYS 25 HZ1 LYS 25 -28.010 19.957 0.750 202 HZ2 LYS 25 HZ2 LYS 25 -27.602 20.927 2.074 203 HZ3 LYS 25 HZ3 LYS 25 -29.222 20.752 1.622 204 H LEU 26 H LEU 26 -23.022 17.030 4.590 205 HA LEU 26 HA LEU 26 -24.446 14.646 4.374 206 HB2 LEU 26 HB2 LEU 26 -21.550 14.874 5.162 207 HB3 LEU 26 HB3 LEU 26 -22.333 13.530 4.335 208 HG LEU 26 HG LEU 26 -21.771 16.268 3.202 209 HD11 LEU 26 HD11 LEU 26 -20.180 13.970 3.392 210 HD12 LEU 26 HD12 LEU 26 -19.882 15.412 2.423 211 HD13 LEU 26 HD13 LEU 26 -20.741 14.040 1.722 212 HD21 LEU 26 HD21 LEU 26 -23.360 13.951 2.148 213 HD22 LEU 26 HD22 LEU 26 -22.585 15.109 1.066 214 HD23 LEU 26 HD23 LEU 26 -23.802 15.657 2.219 215 H LYS 27 H LYS 27 -23.265 16.297 7.164 216 HA LYS 27 HA LYS 27 -22.969 14.254 9.009 217 HB2 LYS 27 HB2 LYS 27 -22.715 16.880 9.194 218 HB3 LYS 27 HB3 LYS 27 -24.344 16.769 9.848 219 HG2 LYS 27 HG2 LYS 27 -23.641 15.474 11.672 220 HG3 LYS 27 HG3 LYS 27 -22.087 15.109 10.919 221 HD2 LYS 27 HD2 LYS 27 -21.199 17.157 11.444 222 HD3 LYS 27 HD3 LYS 27 -22.772 17.958 11.445 223 HE2 LYS 27 HE2 LYS 27 -21.726 17.739 13.699 224 HE3 LYS 27 HE3 LYS 27 -23.327 17.012 13.568 225 HZ1 LYS 27 HZ1 LYS 27 -21.054 15.273 13.033 226 HZ2 LYS 27 HZ2 LYS 27 -22.508 14.940 13.831 227 HZ3 LYS 27 HZ3 LYS 27 -21.267 15.756 14.640 228 H SER 28 H SER 28 -25.863 15.565 7.600 229 HA SER 28 HA SER 28 -27.623 14.341 9.539 230 HB2 SER 28 HB2 SER 28 -28.526 16.317 8.665 231 HB3 SER 28 HB3 SER 28 -28.030 15.928 7.018 232 HG SER 28 HG SER 28 -30.369 15.484 8.128 233 H GLY 29 H GLY 29 -26.273 13.576 6.419 234 HA2 GLY 29 HA2 GLY 29 -26.168 11.080 6.084 235 HA3 GLY 29 HA3 GLY 29 -27.906 11.114 6.352 236 H GLU 30 H GLU 30 -26.073 13.493 4.511 237 HA GLU 30 HA GLU 30 -27.713 12.849 2.176 238 HB2 GLU 30 HB2 GLU 30 -25.830 15.184 2.380 239 HB3 GLU 30 HB3 GLU 30 -27.265 15.013 1.378 240 HG2 GLU 30 HG2 GLU 30 -27.142 15.451 4.347 241 HG3 GLU 30 HG3 GLU 30 -27.774 16.544 3.116 242 H LYS 31 H LYS 31 -26.152 13.798 0.135 243 HA LYS 31 HA LYS 31 -23.813 12.005 0.163 244 HB2 LYS 31 HB2 LYS 31 -25.844 11.240 -1.206 245 HB3 LYS 31 HB3 LYS 31 -25.463 12.568 -2.295 246 HG2 LYS 31 HG2 LYS 31 -24.379 10.827 -3.311 247 HG3 LYS 31 HG3 LYS 31 -23.084 11.497 -2.314 248 HD2 LYS 31 HD2 LYS 31 -23.529 9.810 -0.601 249 HD3 LYS 31 HD3 LYS 31 -24.838 9.150 -1.583 250 HE2 LYS 31 HE2 LYS 31 -23.156 7.730 -2.184 251 HE3 LYS 31 HE3 LYS 31 -22.922 8.992 -3.395 252 HZ1 LYS 31 HZ1 LYS 31 -21.507 9.412 -0.908 253 HZ2 LYS 31 HZ2 LYS 31 -20.975 9.600 -2.501 254 HZ3 LYS 31 HZ3 LYS 31 -20.991 8.065 -1.792 255 H PHE 32 H PHE 32 -21.937 12.779 -0.676 256 HA PHE 32 HA PHE 32 -21.443 15.496 -0.774 257 HB2 PHE 32 HB2 PHE 32 -19.682 13.791 -0.538 258 HB3 PHE 32 HB3 PHE 32 -19.924 13.311 -2.215 259 HD1 PHE 32 HD1 PHE 32 -19.383 14.933 -4.036 260 HD2 PHE 32 HD2 PHE 32 -18.319 15.620 0.026 261 HE1 PHE 32 HE1 PHE 32 -17.738 16.615 -4.756 262 HE2 PHE 32 HE2 PHE 32 -16.673 17.304 -0.686 263 HZ PHE 32 HZ PHE 32 -16.381 17.804 -3.080 264 H GLY 33 H GLY 33 -21.991 13.274 -3.501 265 HA2 GLY 33 HA2 GLY 33 -21.698 15.130 -5.568 266 HA3 GLY 33 HA3 GLY 33 -22.668 13.668 -5.658 267 H LYS 34 H LYS 34 -24.473 14.429 -3.526 268 HA LYS 34 HA LYS 34 -26.466 15.700 -4.997 269 HB2 LYS 34 HB2 LYS 34 -26.678 14.291 -2.867 270 HB3 LYS 34 HB3 LYS 34 -26.324 15.773 -1.989 271 HG2 LYS 34 HG2 LYS 34 -28.280 16.836 -3.019 272 HG3 LYS 34 HG3 LYS 34 -28.643 15.327 -3.858 273 HD2 LYS 34 HD2 LYS 34 -28.311 15.263 -0.899 274 HD3 LYS 34 HD3 LYS 34 -29.799 15.940 -1.565 275 HE2 LYS 34 HE2 LYS 34 -29.888 13.785 -2.973 276 HE3 LYS 34 HE3 LYS 34 -28.710 13.157 -1.822 277 HZ1 LYS 34 HZ1 LYS 34 -31.476 14.065 -1.277 278 HZ2 LYS 34 HZ2 LYS 34 -30.342 13.815 -0.047 279 HZ3 LYS 34 HZ3 LYS 34 -30.819 12.525 -1.032 280 H LEU 35 H LEU 35 -23.844 17.022 -3.185 281 HA LEU 35 HA LEU 35 -25.018 19.711 -3.320 282 HB2 LEU 35 HB2 LEU 35 -22.449 19.065 -1.934 283 HB3 LEU 35 HB3 LEU 35 -23.590 20.370 -1.613 284 HG LEU 35 HG LEU 35 -24.002 17.454 -0.951 285 HD11 LEU 35 HD11 LEU 35 -23.285 19.849 0.720 286 HD12 LEU 35 HD12 LEU 35 -22.397 18.337 0.545 287 HD13 LEU 35 HD13 LEU 35 -23.940 18.359 1.399 288 HD21 LEU 35 HD21 LEU 35 -26.023 18.169 0.160 289 HD22 LEU 35 HD22 LEU 35 -26.083 18.647 -1.537 290 HD23 LEU 35 HD23 LEU 35 -25.719 19.845 -0.295 291 H ALA 36 H ALA 36 -22.572 17.690 -4.657 292 HA ALA 36 HA ALA 36 -20.929 19.809 -5.687 293 HB1 ALA 36 HB1 ALA 36 -19.660 18.106 -6.754 294 HB2 ALA 36 HB2 ALA 36 -20.118 17.492 -5.165 295 HB3 ALA 36 HB3 ALA 36 -20.977 16.942 -6.604 296 H LYS 37 H LYS 37 -23.815 18.239 -6.672 297 HA LYS 37 HA LYS 37 -23.515 18.989 -9.467 298 HB2 LYS 37 HB2 LYS 37 -24.589 16.824 -8.716 299 HB3 LYS 37 HB3 LYS 37 -25.938 17.786 -8.127 300 HG2 LYS 37 HG2 LYS 37 -26.623 18.368 -10.255 301 HG3 LYS 37 HG3 LYS 37 -25.040 18.048 -10.964 302 HD2 LYS 37 HD2 LYS 37 -26.313 16.245 -11.692 303 HD3 LYS 37 HD3 LYS 37 -25.486 15.597 -10.273 304 HE2 LYS 37 HE2 LYS 37 -27.408 15.679 -8.965 305 HE3 LYS 37 HE3 LYS 37 -28.194 16.850 -10.024 306 HZ1 LYS 37 HZ1 LYS 37 -27.907 13.944 -10.361 307 HZ2 LYS 37 HZ2 LYS 37 -28.058 14.924 -11.731 308 HZ3 LYS 37 HZ3 LYS 37 -29.278 14.916 -10.560 309 H GLU 38 H GLU 38 -24.058 20.750 -6.884 310 HA GLU 38 HA GLU 38 -25.861 22.573 -8.302 311 HB2 GLU 38 HB2 GLU 38 -26.154 21.795 -5.395 312 HB3 GLU 38 HB3 GLU 38 -27.048 23.084 -6.189 313 HG2 GLU 38 HG2 GLU 38 -27.158 20.319 -7.296 314 HG3 GLU 38 HG3 GLU 38 -28.117 20.733 -5.877 315 H LEU 39 H LEU 39 -23.978 22.296 -5.282 316 HA LEU 39 HA LEU 39 -23.391 25.038 -5.078 317 HB2 LEU 39 HB2 LEU 39 -21.850 22.685 -3.995 318 HB3 LEU 39 HB3 LEU 39 -21.667 24.359 -3.476 319 HG LEU 39 HG LEU 39 -24.049 22.563 -3.051 320 HD11 LEU 39 HD11 LEU 39 -21.741 22.832 -1.589 321 HD12 LEU 39 HD12 LEU 39 -23.286 22.240 -0.980 322 HD13 LEU 39 HD13 LEU 39 -22.853 23.938 -0.781 323 HD21 LEU 39 HD21 LEU 39 -24.940 24.537 -1.766 324 HD22 LEU 39 HD22 LEU 39 -24.955 24.702 -3.522 325 HD23 LEU 39 HD23 LEU 39 -23.712 25.514 -2.570 326 H SER 40 H SER 40 -21.437 22.336 -6.319 327 HA SER 40 HA SER 40 -19.135 23.702 -6.981 328 HB2 SER 40 HB2 SER 40 -19.970 21.143 -7.298 329 HB3 SER 40 HB3 SER 40 -20.021 21.698 -8.971 330 HG SER 40 HG SER 40 -17.833 22.377 -8.702 331 H ILE 41 H ILE 41 -19.184 25.644 -7.950 332 HA ILE 41 HA ILE 41 -21.025 26.321 -10.027 333 HB ILE 41 HB ILE 41 -19.630 28.385 -10.261 334 HG12 ILE 41 HG12 ILE 41 -18.152 27.736 -7.779 335 HG13 ILE 41 HG13 ILE 41 -17.606 26.908 -9.233 336 HG21 ILE 41 HG21 ILE 41 -20.032 28.351 -7.385 337 HG22 ILE 41 HG22 ILE 41 -20.857 29.286 -8.633 338 HG23 ILE 41 HG23 ILE 41 -21.386 27.643 -8.265 339 HD11 ILE 41 HD11 ILE 41 -16.367 28.716 -9.591 340 HD12 ILE 41 HD12 ILE 41 -17.868 29.506 -10.071 341 HD13 ILE 41 HD13 ILE 41 -17.272 29.674 -8.419 342 H ASP 42 H ASP 42 -17.908 24.861 -9.932 343 HA ASP 42 HA ASP 42 -16.904 25.556 -12.449 344 HB2 ASP 42 HB2 ASP 42 -15.514 24.442 -10.799 345 HB3 ASP 42 HB3 ASP 42 -16.539 23.010 -10.857 346 H SER 43 H SER 43 -18.002 25.367 -14.289 347 HA SER 43 HA SER 43 -20.159 23.736 -14.821 348 HB2 SER 43 HB2 SER 43 -19.814 24.228 -17.162 349 HB3 SER 43 HB3 SER 43 -19.392 25.662 -16.227 350 HG SER 43 HG SER 43 -17.884 24.390 -17.958 351 H GLY 44 H GLY 44 -16.729 23.031 -15.134 352 HA2 GLY 44 HA2 GLY 44 -17.292 20.410 -16.292 353 HA3 GLY 44 HA3 GLY 44 -15.704 21.121 -16.051 354 H SER 45 H SER 45 -18.389 20.545 -13.791 355 HA SER 45 HA SER 45 -16.992 18.420 -12.456 356 HB2 SER 45 HB2 SER 45 -16.349 19.469 -10.488 357 HB3 SER 45 HB3 SER 45 -15.996 20.724 -11.676 358 HG SER 45 HG SER 45 -18.050 20.581 -9.781 359 H ALA 46 H ALA 46 -19.558 20.849 -12.287 360 HA ALA 46 HA ALA 46 -21.211 19.531 -10.443 361 HB1 ALA 46 HB1 ALA 46 -21.297 21.932 -11.670 362 HB2 ALA 46 HB2 ALA 46 -22.564 21.078 -12.551 363 HB3 ALA 46 HB3 ALA 46 -22.655 21.223 -10.796 364 H LYS 47 H LYS 47 -20.445 18.768 -13.668 365 HA LYS 47 HA LYS 47 -22.894 17.319 -14.210 366 HB2 LYS 47 HB2 LYS 47 -20.303 17.386 -15.767 367 HB3 LYS 47 HB3 LYS 47 -21.832 16.723 -16.330 368 HG2 LYS 47 HG2 LYS 47 -21.736 19.570 -15.470 369 HG3 LYS 47 HG3 LYS 47 -21.052 19.122 -17.035 370 HD2 LYS 47 HD2 LYS 47 -23.781 18.164 -16.290 371 HD3 LYS 47 HD3 LYS 47 -23.564 19.825 -16.844 372 HE2 LYS 47 HE2 LYS 47 -22.331 17.627 -18.426 373 HE3 LYS 47 HE3 LYS 47 -24.076 17.855 -18.529 374 HZ1 LYS 47 HZ1 LYS 47 -22.859 20.359 -18.759 375 HZ2 LYS 47 HZ2 LYS 47 -23.734 19.512 -19.933 376 HZ3 LYS 47 HZ3 LYS 47 -22.058 19.309 -19.816 377 H LYS 48 H LYS 48 -19.811 16.707 -12.823 378 HA LYS 48 HA LYS 48 -20.351 13.810 -12.872 379 HB2 LYS 48 HB2 LYS 48 -17.814 13.687 -12.345 380 HB3 LYS 48 HB3 LYS 48 -18.325 14.016 -13.996 381 HG2 LYS 48 HG2 LYS 48 -17.822 16.331 -12.208 382 HG3 LYS 48 HG3 LYS 48 -16.433 15.422 -12.811 383 HD2 LYS 48 HD2 LYS 48 -18.551 16.240 -14.741 384 HD3 LYS 48 HD3 LYS 48 -17.423 17.465 -14.154 385 HE2 LYS 48 HE2 LYS 48 -16.403 14.848 -15.184 386 HE3 LYS 48 HE3 LYS 48 -16.868 16.120 -16.312 387 HZ1 LYS 48 HZ1 LYS 48 -14.600 16.435 -15.935 388 HZ2 LYS 48 HZ2 LYS 48 -14.732 16.177 -14.268 389 HZ3 LYS 48 HZ3 LYS 48 -15.341 17.598 -14.956 390 H ASN 49 H ASN 49 -21.332 15.858 -10.978 391 HA ASN 49 HA ASN 49 -21.587 16.192 -8.739 392 HB2 ASN 49 HB2 ASN 49 -20.775 13.288 -8.827 393 HB3 ASN 49 HB3 ASN 49 -21.256 14.089 -7.333 394 HD21 ASN 49 HD21 ASN 49 -23.381 15.312 -7.530 395 HD22 ASN 49 HD22 ASN 49 -24.660 14.481 -8.343 396 H GLY 50 H GLY 50 -19.010 16.884 -9.896 397 HA2 GLY 50 HA2 GLY 50 -16.960 17.639 -9.192 398 HA3 GLY 50 HA3 GLY 50 -17.608 17.549 -7.561 399 H ASN 51 H ASN 51 -17.652 14.619 -9.319 400 HA ASN 51 HA ASN 51 -15.548 13.564 -7.590 401 HB2 ASN 51 HB2 ASN 51 -17.585 12.288 -7.576 402 HB3 ASN 51 HB3 ASN 51 -17.613 12.213 -9.335 403 HD21 ASN 51 HD21 ASN 51 -16.932 10.394 -10.187 404 HD22 ASN 51 HD22 ASN 51 -15.840 9.272 -9.459 405 H LEU 52 H LEU 52 -13.783 14.541 -8.722 406 HA LEU 52 HA LEU 52 -13.272 14.092 -11.467 407 HB2 LEU 52 HB2 LEU 52 -10.950 14.779 -10.895 408 HB3 LEU 52 HB3 LEU 52 -12.196 15.913 -10.381 409 HG LEU 52 HG LEU 52 -11.941 14.575 -8.102 410 HD11 LEU 52 HD11 LEU 52 -9.853 13.500 -9.658 411 HD12 LEU 52 HD12 LEU 52 -10.180 13.242 -7.944 412 HD13 LEU 52 HD13 LEU 52 -9.110 14.548 -8.450 413 HD21 LEU 52 HD21 LEU 52 -9.718 16.452 -8.474 414 HD22 LEU 52 HD22 LEU 52 -11.066 16.495 -7.336 415 HD23 LEU 52 HD23 LEU 52 -11.291 17.056 -8.994 416 H GLY 53 H GLY 53 -13.121 12.031 -8.795 417 HA2 GLY 53 HA2 GLY 53 -12.591 9.780 -8.735 418 HA3 GLY 53 HA3 GLY 53 -12.040 9.902 -10.399 419 H TYR 54 H TYR 54 -10.026 9.156 -10.476 420 HA TYR 54 HA TYR 54 -8.210 9.574 -8.250 421 HB2 TYR 54 HB2 TYR 54 -8.334 7.793 -10.595 422 HB3 TYR 54 HB3 TYR 54 -6.714 8.325 -10.157 423 HD1 TYR 54 HD1 TYR 54 -9.593 7.610 -7.912 424 HD2 TYR 54 HD2 TYR 54 -5.740 6.400 -9.251 425 HE1 TYR 54 HE1 TYR 54 -9.519 5.906 -6.140 426 HE2 TYR 54 HE2 TYR 54 -5.656 4.691 -7.484 427 HH TYR 54 HH TYR 54 -8.184 4.452 -5.038 428 H PHE 55 H PHE 55 -6.510 10.937 -8.215 429 HA PHE 55 HA PHE 55 -5.761 12.335 -10.679 430 HB2 PHE 55 HB2 PHE 55 -6.099 14.462 -9.851 431 HB3 PHE 55 HB3 PHE 55 -7.440 13.607 -9.095 432 HD1 PHE 55 HD2 PHE 55 -6.371 12.287 -6.830 433 HD2 PHE 55 HD1 PHE 55 -5.277 16.069 -8.446 434 HE1 PHE 55 HE2 PHE 55 -5.575 12.999 -4.615 435 HE2 PHE 55 HE1 PHE 55 -4.478 16.788 -6.232 436 HZ PHE 55 HZ PHE 55 -4.627 15.252 -4.312 437 H THR 56 H THR 56 -3.801 13.875 -10.064 438 HA THR 56 HA THR 56 -2.022 12.554 -8.152 439 HB THR 56 HB THR 56 -0.229 12.270 -9.683 440 HG1 THR 56 HG1 THR 56 -0.372 14.035 -11.010 441 HG21 THR 56 HG21 THR 56 -1.011 10.504 -10.935 442 HG22 THR 56 HG22 THR 56 -2.474 11.360 -11.425 443 HG23 THR 56 HG23 THR 56 -2.341 10.702 -9.794 444 H LYS 57 H LYS 57 0.169 13.818 -8.144 445 HA LYS 57 HA LYS 57 -0.483 16.541 -7.511 446 HB2 LYS 57 HB2 LYS 57 2.276 15.327 -7.604 447 HB3 LYS 57 HB3 LYS 57 1.739 16.711 -6.662 448 HG2 LYS 57 HG2 LYS 57 0.108 14.911 -5.620 449 HG3 LYS 57 HG3 LYS 57 1.381 13.812 -6.154 450 HD2 LYS 57 HD2 LYS 57 3.021 15.274 -4.945 451 HD3 LYS 57 HD3 LYS 57 1.646 16.158 -4.278 452 HE2 LYS 57 HE2 LYS 57 2.078 14.630 -2.606 453 HE3 LYS 57 HE3 LYS 57 0.835 13.798 -3.539 454 HZ1 LYS 57 HZ1 LYS 57 3.157 12.693 -2.847 455 HZ2 LYS 57 HZ2 LYS 57 3.569 13.300 -4.370 456 HZ3 LYS 57 HZ3 LYS 57 2.272 12.225 -4.210 457 H GLY 58 H GLY 58 -0.938 17.752 -9.289 458 HA2 GLY 58 HA2 GLY 58 0.600 19.269 -10.691 459 HA3 GLY 58 HA3 GLY 58 1.028 17.759 -11.482 460 H MET 59 H MET 59 -2.038 17.203 -10.776 461 HA MET 59 HA MET 59 -2.946 18.107 -13.403 462 HB2 MET 59 HB2 MET 59 -4.215 16.172 -11.455 463 HB3 MET 59 HB3 MET 59 -4.803 16.525 -13.075 464 HG2 MET 59 HG2 MET 59 -2.024 15.511 -12.667 465 HG3 MET 59 HG3 MET 59 -3.392 14.402 -12.659 466 HE1 MET 59 HE1 MET 59 -2.633 12.979 -14.835 467 HE2 MET 59 HE2 MET 59 -4.335 13.360 -14.573 468 HE3 MET 59 HE3 MET 59 -3.642 13.484 -16.192 469 H MET 60 H MET 60 -2.917 19.381 -10.430 470 HA MET 60 HA MET 60 -5.403 20.862 -10.909 471 HB2 MET 60 HB2 MET 60 -4.558 19.913 -8.169 472 HB3 MET 60 HB3 MET 60 -6.038 20.764 -8.589 473 HG2 MET 60 HG2 MET 60 -5.355 18.054 -9.683 474 HG3 MET 60 HG3 MET 60 -6.242 18.287 -8.179 475 HE1 MET 60 HE1 MET 60 -8.297 16.633 -10.283 476 HE2 MET 60 HE2 MET 60 -8.042 17.384 -11.858 477 HE3 MET 60 HE3 MET 60 -6.660 16.838 -10.908 478 H VAL 61 H VAL 61 -5.326 22.570 -8.776 479 HA VAL 61 HA VAL 61 -2.972 24.177 -9.425 480 HB VAL 61 HB VAL 61 -4.137 26.053 -8.479 481 HG11 VAL 61 HG11 VAL 61 -6.368 24.713 -9.915 482 HG12 VAL 61 HG12 VAL 61 -5.686 26.326 -10.136 483 HG13 VAL 61 HG13 VAL 61 -4.834 24.913 -10.760 484 HG21 VAL 61 HG21 VAL 61 -5.134 24.953 -6.552 485 HG22 VAL 61 HG22 VAL 61 -6.362 25.832 -7.463 486 HG23 VAL 61 HG23 VAL 61 -6.245 24.078 -7.605 487 H LYS 62 H LYS 62 -2.098 25.536 -7.568 488 HA LYS 62 HA LYS 62 -0.920 23.874 -5.661 489 HB2 LYS 62 HB2 LYS 62 0.321 25.772 -5.923 490 HB3 LYS 62 HB3 LYS 62 -1.093 26.801 -6.109 491 HG2 LYS 62 HG2 LYS 62 -1.427 26.934 -3.781 492 HG3 LYS 62 HG3 LYS 62 -0.302 25.611 -3.468 493 HD2 LYS 62 HD2 LYS 62 1.562 26.970 -4.169 494 HD3 LYS 62 HD3 LYS 62 0.476 28.271 -4.661 495 HE2 LYS 62 HE2 LYS 62 1.290 28.940 -2.569 496 HE3 LYS 62 HE3 LYS 62 -0.314 28.292 -2.233 497 HZ1 LYS 62 HZ1 LYS 62 2.211 27.422 -1.262 498 HZ2 LYS 62 HZ2 LYS 62 1.399 26.152 -2.026 499 HZ3 LYS 62 HZ3 LYS 62 0.660 26.982 -0.751 500 HA PRO 63 HA PRO 63 -3.995 25.675 -2.400 501 HB2 PRO 63 HB2 PRO 63 -6.095 27.123 -3.332 502 HB3 PRO 63 HB3 PRO 63 -4.540 27.849 -2.908 503 HG2 PRO 63 HG2 PRO 63 -5.605 27.090 -5.601 504 HG3 PRO 63 HG3 PRO 63 -4.728 28.554 -5.116 505 HD2 PRO 63 HD2 PRO 63 -3.525 26.489 -6.389 506 HD3 PRO 63 HD3 PRO 63 -2.677 27.506 -5.207 507 H PHE 64 H PHE 64 -4.120 23.289 -3.869 508 HA PHE 64 HA PHE 64 -6.733 22.385 -3.170 509 HB2 PHE 64 HB2 PHE 64 -7.319 23.377 -5.313 510 HB3 PHE 64 HB3 PHE 64 -6.015 22.500 -6.106 511 HD1 PHE 64 HD2 PHE 64 -6.157 20.043 -6.361 512 HD2 PHE 64 HD1 PHE 64 -9.408 22.355 -4.874 513 HE1 PHE 64 HE2 PHE 64 -7.691 18.174 -6.817 514 HE2 PHE 64 HE1 PHE 64 -10.947 20.489 -5.327 515 HZ PHE 64 HZ PHE 64 -10.089 18.396 -6.301 516 H GLU 65 H GLU 65 -4.189 21.484 -5.508 517 HA GLU 65 HA GLU 65 -4.265 18.749 -5.102 518 HB2 GLU 65 HB2 GLU 65 -3.008 19.827 -6.918 519 HB3 GLU 65 HB3 GLU 65 -1.848 20.445 -5.751 520 HG2 GLU 65 HG2 GLU 65 -1.919 17.711 -5.278 521 HG3 GLU 65 HG3 GLU 65 -1.981 17.865 -7.033 522 H ASP 66 H ASP 66 -2.444 21.211 -3.337 523 HA ASP 66 HA ASP 66 -0.878 19.547 -1.745 524 HB2 ASP 66 HB2 ASP 66 -0.700 22.051 -1.935 525 HB3 ASP 66 HB3 ASP 66 -2.091 22.170 -0.861 526 H ALA 67 H ALA 67 -4.041 20.994 -0.956 527 HA ALA 67 HA ALA 67 -4.306 19.150 1.295 528 HB1 ALA 67 HB1 ALA 67 -6.556 20.921 0.879 529 HB2 ALA 67 HB2 ALA 67 -5.497 20.752 2.278 530 HB3 ALA 67 HB3 ALA 67 -5.029 21.802 0.941 531 H ALA 68 H ALA 68 -4.453 18.147 -1.423 532 HA ALA 68 HA ALA 68 -7.288 17.404 -1.641 533 HB1 ALA 68 HB1 ALA 68 -6.588 18.259 -3.699 534 HB2 ALA 68 HB2 ALA 68 -5.037 17.421 -3.624 535 HB3 ALA 68 HB3 ALA 68 -6.518 16.509 -3.913 536 H PHE 69 H PHE 69 -4.123 16.173 -0.970 537 HA PHE 69 HA PHE 69 -5.221 13.442 -0.838 538 HB2 PHE 69 HB2 PHE 69 -2.718 12.794 -0.944 539 HB3 PHE 69 HB3 PHE 69 -3.509 13.317 -2.427 540 HD1 PHE 69 HD2 PHE 69 -1.758 14.916 0.460 541 HD2 PHE 69 HD1 PHE 69 -2.273 14.702 -3.760 542 HE1 PHE 69 HE2 PHE 69 -0.043 16.656 0.166 543 HE2 PHE 69 HE1 PHE 69 -0.557 16.441 -4.061 544 HZ PHE 69 HZ PHE 69 0.560 17.419 -2.097 545 H LYS 70 H LYS 70 -4.177 16.042 0.971 546 HA LYS 70 HA LYS 70 -2.876 14.666 3.110 547 HB2 LYS 70 HB2 LYS 70 -4.114 17.413 2.914 548 HB3 LYS 70 HB3 LYS 70 -3.290 16.826 4.353 549 HG2 LYS 70 HG2 LYS 70 -1.216 16.676 3.201 550 HG3 LYS 70 HG3 LYS 70 -1.993 16.970 1.643 551 HD2 LYS 70 HD2 LYS 70 -0.842 18.968 2.482 552 HD3 LYS 70 HD3 LYS 70 -2.583 19.225 2.342 553 HE2 LYS 70 HE2 LYS 70 -1.731 20.162 4.422 554 HE3 LYS 70 HE3 LYS 70 -2.831 18.822 4.743 555 HZ1 LYS 70 HZ1 LYS 70 -1.158 17.505 5.504 556 HZ2 LYS 70 HZ2 LYS 70 -0.531 19.010 5.953 557 HZ3 LYS 70 HZ3 LYS 70 0.033 18.242 4.554 558 H LEU 71 H LEU 71 -6.079 14.845 2.120 559 HA LEU 71 HA LEU 71 -7.309 14.743 4.717 560 HB2 LEU 71 HB2 LEU 71 -8.614 13.858 2.172 561 HB3 LEU 71 HB3 LEU 71 -9.353 14.578 3.601 562 HG LEU 71 HG LEU 71 -7.502 16.120 1.800 563 HD11 LEU 71 HD11 LEU 71 -9.159 16.655 0.360 564 HD12 LEU 71 HD12 LEU 71 -10.421 16.513 1.583 565 HD13 LEU 71 HD13 LEU 71 -9.760 15.064 0.827 566 HD21 LEU 71 HD21 LEU 71 -8.384 18.029 2.858 567 HD22 LEU 71 HD22 LEU 71 -8.046 16.885 4.157 568 HD23 LEU 71 HD23 LEU 71 -9.702 17.113 3.592 569 H GLN 72 H GLN 72 -8.844 12.861 5.188 570 HA GLN 72 HA GLN 72 -7.315 10.377 4.876 571 HB2 GLN 72 HB2 GLN 72 -8.310 11.541 7.133 572 HB3 GLN 72 HB3 GLN 72 -9.594 10.405 6.742 573 HG2 GLN 72 HG2 GLN 72 -8.090 8.558 6.837 574 HG3 GLN 72 HG3 GLN 72 -6.698 9.631 6.974 575 HE21 GLN 72 HE21 GLN 72 -9.797 9.042 8.604 576 HE22 GLN 72 HE22 GLN 72 -9.171 9.166 10.208 577 H VAL 73 H VAL 73 -8.748 8.347 4.914 578 HA VAL 73 HA VAL 73 -10.244 8.248 2.559 579 HB VAL 73 HB VAL 73 -9.306 6.221 3.381 580 HG11 VAL 73 HG11 VAL 73 -10.842 5.479 5.602 581 HG12 VAL 73 HG12 VAL 73 -9.129 5.901 5.574 582 HG13 VAL 73 HG13 VAL 73 -10.339 7.143 5.901 583 HG21 VAL 73 HG21 VAL 73 -10.993 4.890 2.730 584 HG22 VAL 73 HG22 VAL 73 -12.078 5.482 3.989 585 HG23 VAL 73 HG23 VAL 73 -11.875 6.400 2.497 586 H GLY 74 H GLY 74 -11.988 9.540 2.318 587 HA2 GLY 74 HA2 GLY 74 -14.287 9.915 2.471 588 HA3 GLY 74 HA3 GLY 74 -14.328 8.925 3.923 589 H GLU 75 H GLU 75 -11.979 11.455 3.680 590 HA GLU 75 HA GLU 75 -13.455 12.954 5.732 591 HB2 GLU 75 HB2 GLU 75 -10.779 12.088 5.595 592 HB3 GLU 75 HB3 GLU 75 -10.733 13.833 5.385 593 HG2 GLU 75 HG2 GLU 75 -10.562 13.620 7.664 594 HG3 GLU 75 HG3 GLU 75 -12.293 13.873 7.451 595 H VAL 76 H VAL 76 -13.918 15.093 5.490 596 HA VAL 76 HA VAL 76 -13.645 16.172 2.795 597 HB VAL 76 HB VAL 76 -15.216 17.209 5.158 598 HG11 VAL 76 HG11 VAL 76 -15.181 19.131 4.010 599 HG12 VAL 76 HG12 VAL 76 -14.580 18.353 2.544 600 HG13 VAL 76 HG13 VAL 76 -16.304 18.326 2.915 601 HG21 VAL 76 HG21 VAL 76 -16.618 16.250 2.767 602 HG22 VAL 76 HG22 VAL 76 -15.767 14.999 3.674 603 HG23 VAL 76 HG23 VAL 76 -16.981 15.997 4.474 604 H SER 77 H SER 77 -12.554 18.018 2.281 605 HA SER 77 HA SER 77 -10.524 18.875 4.150 606 HB2 SER 77 HB2 SER 77 -10.196 18.501 1.631 607 HB3 SER 77 HB3 SER 77 -11.011 20.050 1.417 608 HG SER 77 HG SER 77 -9.030 20.762 1.652 609 H GLU 78 H GLU 78 -10.156 21.522 3.465 610 HA GLU 78 HA GLU 78 -12.512 22.768 4.711 611 HB2 GLU 78 HB2 GLU 78 -10.662 24.650 5.059 612 HB3 GLU 78 HB3 GLU 78 -10.844 23.303 6.175 613 HG2 GLU 78 HG2 GLU 78 -9.045 22.112 5.046 614 HG3 GLU 78 HG3 GLU 78 -8.868 23.446 3.909 615 HA PRO 79 HA PRO 79 -13.302 25.359 1.262 616 HB2 PRO 79 HB2 PRO 79 -13.841 27.759 2.411 617 HB3 PRO 79 HB3 PRO 79 -14.940 26.379 2.508 618 HG2 PRO 79 HG2 PRO 79 -12.968 27.374 4.528 619 HG3 PRO 79 HG3 PRO 79 -14.632 26.810 4.772 620 HD2 PRO 79 HD2 PRO 79 -12.477 25.251 5.274 621 HD3 PRO 79 HD3 PRO 79 -14.023 24.589 4.705 622 H ILE 80 H ILE 80 -11.065 25.228 0.489 623 HA ILE 80 HA ILE 80 -9.188 27.272 1.208 624 HB ILE 80 HB ILE 80 -9.075 25.514 -1.238 625 HG12 ILE 80 HG12 ILE 80 -9.435 24.148 0.795 626 HG13 ILE 80 HG13 ILE 80 -7.837 23.895 0.099 627 HG21 ILE 80 HG21 ILE 80 -6.540 25.798 -0.479 628 HG22 ILE 80 HG22 ILE 80 -7.347 26.955 -1.536 629 HG23 ILE 80 HG23 ILE 80 -7.188 27.298 0.186 630 HD11 ILE 80 HD11 ILE 80 -7.616 24.008 2.464 631 HD12 ILE 80 HD12 ILE 80 -6.936 25.489 1.786 632 HD13 ILE 80 HD13 ILE 80 -8.532 25.513 2.534 633 H LYS 81 H LYS 81 -9.519 29.321 0.651 634 HA LYS 81 HA LYS 81 -11.117 30.097 -1.584 635 HB2 LYS 81 HB2 LYS 81 -10.870 31.411 0.545 636 HB3 LYS 81 HB3 LYS 81 -9.238 31.823 0.036 637 HG2 LYS 81 HG2 LYS 81 -10.076 33.576 -1.021 638 HG3 LYS 81 HG3 LYS 81 -10.886 32.467 -2.130 639 HD2 LYS 81 HD2 LYS 81 -12.826 32.393 -0.647 640 HD3 LYS 81 HD3 LYS 81 -12.013 33.481 0.480 641 HE2 LYS 81 HE2 LYS 81 -13.636 34.651 -0.955 642 HE3 LYS 81 HE3 LYS 81 -11.991 35.239 -1.181 643 HZ1 LYS 81 HZ1 LYS 81 -13.344 34.842 -3.255 644 HZ2 LYS 81 HZ2 LYS 81 -13.189 33.187 -2.945 645 HZ3 LYS 81 HZ3 LYS 81 -11.812 34.128 -3.223 646 H SER 82 H SER 82 -10.462 29.966 -3.620 647 HA SER 82 HA SER 82 -7.716 30.790 -4.269 648 HB2 SER 82 HB2 SER 82 -8.035 28.258 -4.277 649 HB3 SER 82 HB3 SER 82 -9.092 28.497 -5.669 650 HG SER 82 HG SER 82 -6.460 29.526 -5.587 651 H GLU 83 H GLU 83 -7.691 30.710 -6.924 652 HA GLU 83 HA GLU 83 -9.093 32.973 -7.727 653 HB2 GLU 83 HB2 GLU 83 -8.383 32.454 -9.980 654 HB3 GLU 83 HB3 GLU 83 -7.079 32.087 -8.860 655 HG2 GLU 83 HG2 GLU 83 -8.169 29.681 -8.943 656 HG3 GLU 83 HG3 GLU 83 -8.741 30.265 -10.506 657 H PHE 84 H PHE 84 -10.072 29.653 -7.640 658 HA PHE 84 HA PHE 84 -12.432 30.186 -9.279 659 HB2 PHE 84 HB2 PHE 84 -11.613 27.575 -8.001 660 HB3 PHE 84 HB3 PHE 84 -12.796 27.809 -9.283 661 HD1 PHE 84 HD1 PHE 84 -11.642 29.305 -11.309 662 HD2 PHE 84 HD2 PHE 84 -9.701 26.550 -8.712 663 HE1 PHE 84 HE1 PHE 84 -9.886 28.959 -12.997 664 HE2 PHE 84 HE2 PHE 84 -7.940 26.200 -10.394 665 HZ PHE 84 HZ PHE 84 -8.030 27.405 -12.539 666 H GLY 85 H GLY 85 -11.474 30.077 -6.016 667 HA2 GLY 85 HA2 GLY 85 -13.149 31.073 -4.480 668 HA3 GLY 85 HA3 GLY 85 -14.305 29.947 -5.177 669 H TYR 86 H TYR 86 -14.776 29.089 -3.124 670 HA TYR 86 HA TYR 86 -12.701 27.917 -1.516 671 HB2 TYR 86 HB2 TYR 86 -15.715 27.757 -1.338 672 HB3 TYR 86 HB3 TYR 86 -14.615 27.061 -0.153 673 HD1 TYR 86 HD2 TYR 86 -12.718 28.892 0.598 674 HD2 TYR 86 HD1 TYR 86 -16.673 29.751 -0.716 675 HE1 TYR 86 HE2 TYR 86 -12.645 31.038 1.798 676 HE2 TYR 86 HE1 TYR 86 -16.611 31.899 0.480 677 HH TYR 86 HH TYR 86 -14.571 32.638 2.827 678 H HIS 87 H HIS 87 -11.816 25.993 -1.818 679 HA HIS 87 HA HIS 87 -13.163 24.065 -3.566 680 HB2 HIS 87 HB2 HIS 87 -10.298 24.383 -2.688 681 HB3 HIS 87 HB3 HIS 87 -10.871 22.925 -3.491 682 HD1 HIS 87 HD1 HIS 87 -11.262 23.042 -6.003 683 HD2 HIS 87 HD2 HIS 87 -10.244 26.704 -4.325 684 HE1 HIS 87 HE1 HIS 87 -10.796 24.566 -7.948 685 H ILE 88 H ILE 88 -14.119 22.328 -2.748 686 HA ILE 88 HA ILE 88 -13.419 21.507 -0.005 687 HB ILE 88 HB ILE 88 -16.060 21.182 -1.435 688 HG12 ILE 88 HG12 ILE 88 -15.585 23.498 -0.721 689 HG13 ILE 88 HG13 ILE 88 -16.914 22.789 0.191 690 HG21 ILE 88 HG21 ILE 88 -16.427 20.710 1.269 691 HG22 ILE 88 HG22 ILE 88 -16.392 19.501 -0.014 692 HG23 ILE 88 HG23 ILE 88 -14.922 19.874 0.886 693 HD11 ILE 88 HD11 ILE 88 -15.492 24.047 1.661 694 HD12 ILE 88 HD12 ILE 88 -15.348 22.329 2.038 695 HD13 ILE 88 HD13 ILE 88 -14.076 23.141 1.125 696 H ILE 89 H ILE 89 -11.790 20.074 -0.702 697 HA ILE 89 HA ILE 89 -12.430 17.944 -2.544 698 HB ILE 89 HB ILE 89 -9.989 18.104 -0.787 699 HG12 ILE 89 HG12 ILE 89 -9.271 19.039 -3.304 700 HG13 ILE 89 HG13 ILE 89 -10.804 19.840 -2.982 701 HG21 ILE 89 HG21 ILE 89 -10.892 16.200 -2.608 702 HG22 ILE 89 HG22 ILE 89 -9.636 17.092 -3.464 703 HG23 ILE 89 HG23 ILE 89 -9.275 16.327 -1.917 704 HD11 ILE 89 HD11 ILE 89 -8.183 20.149 -1.656 705 HD12 ILE 89 HD12 ILE 89 -9.416 21.351 -2.039 706 HD13 ILE 89 HD13 ILE 89 -9.622 20.289 -0.646 707 H LYS 90 H LYS 90 -12.810 15.822 -2.072 708 HA LYS 90 HA LYS 90 -12.788 14.979 0.731 709 HB2 LYS 90 HB2 LYS 90 -15.070 15.747 0.306 710 HB3 LYS 90 HB3 LYS 90 -15.173 14.708 -1.108 711 HG2 LYS 90 HG2 LYS 90 -14.735 12.774 0.503 712 HG3 LYS 90 HG3 LYS 90 -15.105 13.930 1.785 713 HD2 LYS 90 HD2 LYS 90 -17.310 14.226 1.027 714 HD3 LYS 90 HD3 LYS 90 -16.961 13.488 -0.537 715 HE2 LYS 90 HE2 LYS 90 -16.480 11.352 0.759 716 HE3 LYS 90 HE3 LYS 90 -17.228 12.150 2.142 717 HZ1 LYS 90 HZ1 LYS 90 -19.276 12.289 1.020 718 HZ2 LYS 90 HZ2 LYS 90 -18.728 10.710 0.763 719 HZ3 LYS 90 HZ3 LYS 90 -18.596 11.862 -0.470 720 H ARG 91 H ARG 91 -11.652 13.168 0.850 721 HA ARG 91 HA ARG 91 -10.958 11.629 -1.433 722 HB2 ARG 91 HB2 ARG 91 -9.666 11.946 0.789 723 HB3 ARG 91 HB3 ARG 91 -10.687 10.649 1.395 724 HG2 ARG 91 HG2 ARG 91 -9.765 9.079 -0.054 725 HG3 ARG 91 HG3 ARG 91 -9.108 10.318 -1.126 726 HD2 ARG 91 HD2 ARG 91 -7.175 10.180 -0.043 727 HD3 ARG 91 HD3 ARG 91 -7.980 10.772 1.410 728 HE ARG 91 HE ARG 91 -7.909 8.653 2.266 729 HH11 ARG 91 HH11 ARG 91 -7.326 8.513 -1.163 730 HH12 ARG 91 HH12 ARG 91 -6.917 6.828 -1.157 731 HH21 ARG 91 HH21 ARG 91 -7.372 6.436 2.288 732 HH22 ARG 91 HH22 ARG 91 -6.945 5.648 0.807 733 H PHE 92 H PHE 92 -11.637 9.617 -2.094 734 HA PHE 92 HA PHE 92 -14.097 8.613 -0.819 735 HB2 PHE 92 HB2 PHE 92 -13.359 8.990 -3.682 736 HB3 PHE 92 HB3 PHE 92 -14.367 7.607 -3.269 737 HD1 PHE 92 HD1 PHE 92 -14.220 11.183 -2.201 738 HD2 PHE 92 HD2 PHE 92 -16.582 7.973 -3.697 739 HE1 PHE 92 HE1 PHE 92 -16.203 12.638 -2.184 740 HE2 PHE 92 HE2 PHE 92 -18.569 9.424 -3.683 741 HZ PHE 92 HZ PHE 92 -18.381 11.760 -2.925 742 H GLY 93 H GLY 93 -11.006 7.813 -2.253 743 HA2 GLY 93 HA2 GLY 93 -11.175 5.059 -2.464 744 HA3 GLY 93 HA3 GLY 93 -9.701 5.933 -2.066 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.795 -2.004 -1.945 2 HA2 GLY 1 HA2 GLY 1 -0.576 -0.326 -1.854 3 HA3 GLY 1 HA3 GLY 1 0.751 -0.320 -0.703 4 HA PRO 2 HA PRO 2 2.234 2.335 -4.467 5 HB2 PRO 2 HB2 PRO 2 0.369 2.915 -6.353 6 HB3 PRO 2 HB3 PRO 2 1.416 1.493 -6.441 7 HG2 PRO 2 HG2 PRO 2 -1.421 1.703 -5.506 8 HG3 PRO 2 HG3 PRO 2 -0.671 0.469 -6.534 9 HD2 PRO 2 HD2 PRO 2 -1.139 0.079 -3.895 10 HD3 PRO 2 HD3 PRO 2 0.241 -0.652 -4.739 11 H SER 3 H SER 3 2.235 4.568 -4.506 12 HA SER 3 HA SER 3 -0.120 5.917 -3.366 13 HB2 SER 3 HB2 SER 3 1.850 5.560 -1.745 14 HB3 SER 3 HB3 SER 3 2.695 6.768 -2.713 15 HG SER 3 HG SER 3 0.257 7.092 -1.298 16 H ASN 4 H ASN 4 0.072 5.856 -6.014 17 HA ASN 4 HA ASN 4 1.484 8.251 -6.912 18 HB2 ASN 4 HB2 ASN 4 -0.040 6.158 -8.480 19 HB3 ASN 4 HB3 ASN 4 0.854 7.503 -9.183 20 HD21 ASN 4 HD21 ASN 4 3.005 7.338 -9.454 21 HD22 ASN 4 HD22 ASN 4 3.940 5.953 -9.015 22 H LYS 5 H LYS 5 -1.768 6.869 -7.418 23 HA LYS 5 HA LYS 5 -2.842 9.611 -7.292 24 HB2 LYS 5 HB2 LYS 5 -4.712 8.379 -8.773 25 HB3 LYS 5 HB3 LYS 5 -3.324 9.202 -9.475 26 HG2 LYS 5 HG2 LYS 5 -2.136 7.081 -9.636 27 HG3 LYS 5 HG3 LYS 5 -3.513 6.249 -8.911 28 HD2 LYS 5 HD2 LYS 5 -3.846 5.895 -11.178 29 HD3 LYS 5 HD3 LYS 5 -4.858 7.306 -10.861 30 HE2 LYS 5 HE2 LYS 5 -3.279 8.774 -11.822 31 HE3 LYS 5 HE3 LYS 5 -2.018 7.543 -11.818 32 HZ1 LYS 5 HZ1 LYS 5 -4.400 6.875 -13.327 33 HZ2 LYS 5 HZ2 LYS 5 -2.771 6.648 -13.719 34 HZ3 LYS 5 HZ3 LYS 5 -3.493 8.159 -13.954 35 H ILE 6 H ILE 6 -5.129 9.730 -6.630 36 HA ILE 6 HA ILE 6 -6.172 7.460 -5.152 37 HB ILE 6 HB ILE 6 -6.465 8.741 -3.066 38 HG12 ILE 6 HG12 ILE 6 -4.427 10.721 -4.009 39 HG13 ILE 6 HG13 ILE 6 -6.119 10.973 -4.422 40 HG21 ILE 6 HG21 ILE 6 -3.561 8.620 -3.854 41 HG22 ILE 6 HG22 ILE 6 -4.249 8.444 -2.240 42 HG23 ILE 6 HG23 ILE 6 -4.531 7.201 -3.458 43 HD11 ILE 6 HD11 ILE 6 -6.712 10.980 -2.072 44 HD12 ILE 6 HD12 ILE 6 -5.032 10.666 -1.634 45 HD13 ILE 6 HD13 ILE 6 -5.471 12.188 -2.409 46 H LYS 7 H LYS 7 -8.378 7.717 -4.516 47 HA LYS 7 HA LYS 7 -9.890 9.302 -6.359 48 HB2 LYS 7 HB2 LYS 7 -10.351 7.037 -4.708 49 HB3 LYS 7 HB3 LYS 7 -11.537 8.258 -4.266 50 HG2 LYS 7 HG2 LYS 7 -11.902 8.449 -6.834 51 HG3 LYS 7 HG3 LYS 7 -11.145 6.854 -6.869 52 HD2 LYS 7 HD2 LYS 7 -13.070 5.922 -6.268 53 HD3 LYS 7 HD3 LYS 7 -13.079 6.877 -4.784 54 HE2 LYS 7 HE2 LYS 7 -15.034 7.601 -5.705 55 HE3 LYS 7 HE3 LYS 7 -13.926 8.763 -6.433 56 HZ1 LYS 7 HZ1 LYS 7 -14.879 6.260 -7.719 57 HZ2 LYS 7 HZ2 LYS 7 -13.846 7.403 -8.419 58 HZ3 LYS 7 HZ3 LYS 7 -15.448 7.816 -8.063 59 H CYS 8 H CYS 8 -11.222 11.048 -5.948 60 HA CYS 8 HA CYS 8 -11.771 12.113 -3.406 61 HB2 CYS 8 HB2 CYS 8 -10.319 14.091 -3.419 62 HB3 CYS 8 HB3 CYS 8 -9.371 12.610 -3.363 63 HG CYS 8 HG CYS 8 -9.417 15.022 -5.666 64 H SER 9 H SER 9 -12.798 14.262 -3.527 65 HA SER 9 HA SER 9 -13.860 14.795 -6.224 66 HB2 SER 9 HB2 SER 9 -15.340 15.116 -3.603 67 HB3 SER 9 HB3 SER 9 -15.998 15.372 -5.219 68 HG SER 9 HG SER 9 -14.852 12.891 -4.627 69 H HIS 10 H HIS 10 -15.262 17.082 -5.738 70 HA HIS 10 HA HIS 10 -13.842 19.032 -4.252 71 HB2 HIS 10 HB2 HIS 10 -12.934 20.332 -6.160 72 HB3 HIS 10 HB3 HIS 10 -12.144 18.769 -5.964 73 HD1 HIS 10 HD1 HIS 10 -13.479 20.862 -8.501 74 HD2 HIS 10 HD2 HIS 10 -13.468 16.764 -7.818 75 HE1 HIS 10 HE1 HIS 10 -13.965 19.807 -10.732 76 H ILE 11 H ILE 11 -14.888 21.026 -4.226 77 HA ILE 11 HA ILE 11 -17.159 21.423 -6.015 78 HB ILE 11 HB ILE 11 -17.427 21.325 -3.010 79 HG12 ILE 11 HG12 ILE 11 -18.896 19.787 -5.160 80 HG13 ILE 11 HG13 ILE 11 -17.527 19.155 -4.253 81 HG21 ILE 11 HG21 ILE 11 -18.672 23.213 -3.711 82 HG22 ILE 11 HG22 ILE 11 -19.306 22.359 -5.118 83 HG23 ILE 11 HG23 ILE 11 -19.834 21.903 -3.498 84 HD11 ILE 11 HD11 ILE 11 -19.593 18.327 -3.334 85 HD12 ILE 11 HD12 ILE 11 -18.818 19.411 -2.179 86 HD13 ILE 11 HD13 ILE 11 -20.194 19.972 -3.128 87 H LEU 12 H LEU 12 -17.209 23.463 -6.680 88 HA LEU 12 HA LEU 12 -15.744 25.479 -5.125 89 HB2 LEU 12 HB2 LEU 12 -16.279 25.068 -8.012 90 HB3 LEU 12 HB3 LEU 12 -16.166 26.730 -7.438 91 HG LEU 12 HG LEU 12 -14.038 26.008 -8.328 92 HD11 LEU 12 HD11 LEU 12 -12.983 25.937 -5.732 93 HD12 LEU 12 HD12 LEU 12 -14.453 26.908 -5.637 94 HD13 LEU 12 HD13 LEU 12 -13.181 27.343 -6.779 95 HD21 LEU 12 HD21 LEU 12 -13.057 24.027 -7.925 96 HD22 LEU 12 HD22 LEU 12 -14.679 23.529 -7.439 97 HD23 LEU 12 HD23 LEU 12 -13.507 24.032 -6.219 98 H VAL 13 H VAL 13 -16.742 27.226 -4.303 99 HA VAL 13 HA VAL 13 -19.522 27.758 -5.100 100 HB VAL 13 HB VAL 13 -20.143 28.192 -2.777 101 HG11 VAL 13 HG11 VAL 13 -20.445 25.938 -3.775 102 HG12 VAL 13 HG12 VAL 13 -18.915 25.452 -3.044 103 HG13 VAL 13 HG13 VAL 13 -20.275 25.916 -2.020 104 HG21 VAL 13 HG21 VAL 13 -17.482 27.041 -1.968 105 HG22 VAL 13 HG22 VAL 13 -17.794 28.775 -2.062 106 HG23 VAL 13 HG23 VAL 13 -18.710 27.773 -0.934 107 H SER 14 H SER 14 -20.151 29.906 -3.686 108 HA SER 14 HA SER 14 -18.073 31.868 -4.398 109 HB2 SER 14 HB2 SER 14 -20.214 31.982 -5.701 110 HB3 SER 14 HB3 SER 14 -21.052 32.356 -4.196 111 HG SER 14 HG SER 14 -19.697 34.002 -5.814 112 H LYS 15 H LYS 15 -19.989 30.581 -1.870 113 HA LYS 15 HA LYS 15 -18.842 32.542 -0.015 114 HB2 LYS 15 HB2 LYS 15 -21.013 32.518 1.257 115 HB3 LYS 15 HB3 LYS 15 -21.071 33.343 -0.295 116 HG2 LYS 15 HG2 LYS 15 -21.986 31.185 -1.253 117 HG3 LYS 15 HG3 LYS 15 -22.184 30.647 0.417 118 HD2 LYS 15 HD2 LYS 15 -23.386 33.157 -0.751 119 HD3 LYS 15 HD3 LYS 15 -24.245 31.631 -0.528 120 HE2 LYS 15 HE2 LYS 15 -24.626 32.080 1.618 121 HE3 LYS 15 HE3 LYS 15 -22.924 32.439 1.906 122 HZ1 LYS 15 HZ1 LYS 15 -23.618 34.518 2.220 123 HZ2 LYS 15 HZ2 LYS 15 -25.130 34.234 1.517 124 HZ3 LYS 15 HZ3 LYS 15 -23.801 34.611 0.541 125 H GLN 16 H GLN 16 -18.399 31.760 2.051 126 HA GLN 16 HA GLN 16 -17.685 29.063 2.251 127 HB2 GLN 16 HB2 GLN 16 -17.454 29.578 4.723 128 HB3 GLN 16 HB3 GLN 16 -16.536 30.606 3.631 129 HG2 GLN 16 HG2 GLN 16 -17.685 32.450 4.187 130 HG3 GLN 16 HG3 GLN 16 -19.217 31.588 4.309 131 HE21 GLN 16 HE21 GLN 16 -19.305 33.138 6.187 132 HE22 GLN 16 HE22 GLN 16 -18.710 32.559 7.702 133 H SER 17 H SER 17 -20.668 30.681 2.911 134 HA SER 17 HA SER 17 -21.839 28.897 4.721 135 HB2 SER 17 HB2 SER 17 -22.726 31.166 3.998 136 HB3 SER 17 HB3 SER 17 -23.334 30.370 2.546 137 HG SER 17 HG SER 17 -23.958 29.397 5.120 138 H GLU 18 H GLU 18 -21.127 28.561 1.377 139 HA GLU 18 HA GLU 18 -22.930 26.269 1.102 140 HB2 GLU 18 HB2 GLU 18 -21.283 27.786 -0.924 141 HB3 GLU 18 HB3 GLU 18 -22.212 26.344 -1.305 142 HG2 GLU 18 HG2 GLU 18 -24.239 27.413 -1.031 143 HG3 GLU 18 HG3 GLU 18 -23.548 28.684 -0.023 144 H ALA 19 H ALA 19 -19.506 27.127 0.713 145 HA ALA 19 HA ALA 19 -18.587 24.534 0.116 146 HB1 ALA 19 HB1 ALA 19 -17.431 27.121 0.634 147 HB2 ALA 19 HB2 ALA 19 -16.494 25.846 1.414 148 HB3 ALA 19 HB3 ALA 19 -16.799 25.778 -0.321 149 H LEU 20 H LEU 20 -18.580 26.333 3.195 150 HA LEU 20 HA LEU 20 -17.564 24.189 4.736 151 HB2 LEU 20 HB2 LEU 20 -17.723 26.737 5.245 152 HB3 LEU 20 HB3 LEU 20 -19.311 26.325 5.889 153 HG LEU 20 HG LEU 20 -18.032 24.608 7.333 154 HD11 LEU 20 HD11 LEU 20 -15.769 24.825 7.631 155 HD12 LEU 20 HD12 LEU 20 -15.738 26.488 7.047 156 HD13 LEU 20 HD13 LEU 20 -15.907 25.155 5.904 157 HD21 LEU 20 HD21 LEU 20 -17.663 26.272 9.053 158 HD22 LEU 20 HD22 LEU 20 -19.145 26.639 8.170 159 HD23 LEU 20 HD23 LEU 20 -17.674 27.559 7.848 160 H ALA 21 H ALA 21 -20.613 24.744 3.375 161 HA ALA 21 HA ALA 21 -22.206 23.412 5.345 162 HB1 ALA 21 HB1 ALA 21 -23.458 23.298 2.799 163 HB2 ALA 21 HB2 ALA 21 -23.838 24.344 4.168 164 HB3 ALA 21 HB3 ALA 21 -22.669 24.869 2.957 165 H ILE 22 H ILE 22 -19.980 22.331 3.073 166 HA ILE 22 HA ILE 22 -21.219 19.885 2.296 167 HB ILE 22 HB ILE 22 -18.293 20.637 2.309 168 HG12 ILE 22 HG12 ILE 22 -19.631 22.119 0.901 169 HG13 ILE 22 HG13 ILE 22 -18.640 21.061 -0.097 170 HG21 ILE 22 HG21 ILE 22 -18.328 18.813 0.449 171 HG22 ILE 22 HG22 ILE 22 -18.235 18.339 2.144 172 HG23 ILE 22 HG23 ILE 22 -19.775 18.255 1.289 173 HD11 ILE 22 HD11 ILE 22 -20.714 21.096 -1.150 174 HD12 ILE 22 HD12 ILE 22 -20.712 19.578 -0.253 175 HD13 ILE 22 HD13 ILE 22 -21.594 20.971 0.373 176 H MET 23 H MET 23 -19.382 20.917 5.053 177 HA MET 23 HA MET 23 -18.929 18.183 5.953 178 HB2 MET 23 HB2 MET 23 -17.697 19.210 7.804 179 HB3 MET 23 HB3 MET 23 -17.128 19.812 6.253 180 HG2 MET 23 HG2 MET 23 -17.647 21.909 6.765 181 HG3 MET 23 HG3 MET 23 -19.242 21.456 7.357 182 HE1 MET 23 HE1 MET 23 -15.489 21.627 8.083 183 HE2 MET 23 HE2 MET 23 -15.368 21.491 9.838 184 HE3 MET 23 HE3 MET 23 -15.753 20.069 8.866 185 H GLU 24 H GLU 24 -21.169 20.749 6.370 186 HA GLU 24 HA GLU 24 -22.182 19.707 8.895 187 HB2 GLU 24 HB2 GLU 24 -23.523 21.892 7.350 188 HB3 GLU 24 HB3 GLU 24 -23.421 21.660 9.090 189 HG2 GLU 24 HG2 GLU 24 -20.814 22.020 8.478 190 HG3 GLU 24 HG3 GLU 24 -21.586 23.024 7.252 191 H LYS 25 H LYS 25 -23.314 20.200 5.565 192 HA LYS 25 HA LYS 25 -25.864 19.079 5.888 193 HB2 LYS 25 HB2 LYS 25 -24.079 19.291 3.461 194 HB3 LYS 25 HB3 LYS 25 -25.738 18.712 3.391 195 HG2 LYS 25 HG2 LYS 25 -25.134 21.366 4.618 196 HG3 LYS 25 HG3 LYS 25 -25.214 21.193 2.864 197 HD2 LYS 25 HD2 LYS 25 -27.475 20.393 2.987 198 HD3 LYS 25 HD3 LYS 25 -27.403 20.330 4.750 199 HE2 LYS 25 HE2 LYS 25 -28.600 22.298 4.183 200 HE3 LYS 25 HE3 LYS 25 -27.000 22.811 4.716 201 HZ1 LYS 25 HZ1 LYS 25 -26.481 22.676 2.186 202 HZ2 LYS 25 HZ2 LYS 25 -27.264 24.036 2.817 203 HZ3 LYS 25 HZ3 LYS 25 -28.156 22.842 2.017 204 H LEU 26 H LEU 26 -22.951 17.575 4.475 205 HA LEU 26 HA LEU 26 -23.984 15.005 4.205 206 HB2 LEU 26 HB2 LEU 26 -21.133 15.784 4.800 207 HB3 LEU 26 HB3 LEU 26 -21.669 14.247 4.124 208 HG LEU 26 HG LEU 26 -21.823 16.945 2.783 209 HD11 LEU 26 HD11 LEU 26 -20.120 14.514 2.260 210 HD12 LEU 26 HD12 LEU 26 -19.571 16.088 2.833 211 HD13 LEU 26 HD13 LEU 26 -20.223 15.923 1.204 212 HD21 LEU 26 HD21 LEU 26 -22.525 15.577 0.804 213 HD22 LEU 26 HD22 LEU 26 -23.724 15.691 2.093 214 HD23 LEU 26 HD23 LEU 26 -22.764 14.222 1.907 215 H LYS 27 H LYS 27 -22.941 16.698 7.021 216 HA LYS 27 HA LYS 27 -22.235 14.617 8.726 217 HB2 LYS 27 HB2 LYS 27 -22.237 17.211 9.069 218 HB3 LYS 27 HB3 LYS 27 -23.845 16.939 9.727 219 HG2 LYS 27 HG2 LYS 27 -21.664 15.227 10.759 220 HG3 LYS 27 HG3 LYS 27 -21.650 16.929 11.228 221 HD2 LYS 27 HD2 LYS 27 -23.609 16.759 12.412 222 HD3 LYS 27 HD3 LYS 27 -24.208 15.416 11.435 223 HE2 LYS 27 HE2 LYS 27 -21.809 15.055 13.187 224 HE3 LYS 27 HE3 LYS 27 -23.429 14.987 13.879 225 HZ1 LYS 27 HZ1 LYS 27 -23.746 13.360 11.822 226 HZ2 LYS 27 HZ2 LYS 27 -23.209 12.824 13.334 227 HZ3 LYS 27 HZ3 LYS 27 -22.094 13.114 12.095 228 H SER 28 H SER 28 -25.338 15.561 7.514 229 HA SER 28 HA SER 28 -26.841 14.114 9.507 230 HB2 SER 28 HB2 SER 28 -27.781 16.117 8.410 231 HB3 SER 28 HB3 SER 28 -27.742 15.278 6.859 232 HG SER 28 HG SER 28 -29.804 15.192 7.909 233 H GLY 29 H GLY 29 -25.350 13.428 6.475 234 HA2 GLY 29 HA2 GLY 29 -24.951 11.017 6.088 235 HA3 GLY 29 HA3 GLY 29 -26.649 10.772 6.473 236 H GLU 30 H GLU 30 -25.771 13.542 4.606 237 HA GLU 30 HA GLU 30 -27.363 12.628 2.401 238 HB2 GLU 30 HB2 GLU 30 -25.602 15.062 2.337 239 HB3 GLU 30 HB3 GLU 30 -27.131 14.789 1.514 240 HG2 GLU 30 HG2 GLU 30 -28.272 14.837 3.706 241 HG3 GLU 30 HG3 GLU 30 -26.730 15.235 4.462 242 H LYS 31 H LYS 31 -26.094 13.596 0.177 243 HA LYS 31 HA LYS 31 -23.739 11.838 -0.042 244 HB2 LYS 31 HB2 LYS 31 -25.961 11.291 -1.308 245 HB3 LYS 31 HB3 LYS 31 -25.440 12.567 -2.400 246 HG2 LYS 31 HG2 LYS 31 -24.693 10.552 -3.349 247 HG3 LYS 31 HG3 LYS 31 -23.265 11.307 -2.635 248 HD2 LYS 31 HD2 LYS 31 -23.015 9.163 -1.868 249 HD3 LYS 31 HD3 LYS 31 -23.960 9.855 -0.547 250 HE2 LYS 31 HE2 LYS 31 -25.410 8.632 -2.839 251 HE3 LYS 31 HE3 LYS 31 -24.624 7.561 -1.681 252 HZ1 LYS 31 HZ1 LYS 31 -26.384 7.823 -0.386 253 HZ2 LYS 31 HZ2 LYS 31 -27.052 8.987 -1.416 254 HZ3 LYS 31 HZ3 LYS 31 -25.981 9.455 -0.192 255 H PHE 32 H PHE 32 -21.893 12.679 -0.821 256 HA PHE 32 HA PHE 32 -21.429 15.404 -0.898 257 HB2 PHE 32 HB2 PHE 32 -19.656 13.693 -0.689 258 HB3 PHE 32 HB3 PHE 32 -19.889 13.262 -2.380 259 HD1 PHE 32 HD1 PHE 32 -19.399 14.981 -4.146 260 HD2 PHE 32 HD2 PHE 32 -18.276 15.481 -0.072 261 HE1 PHE 32 HE1 PHE 32 -17.769 16.700 -4.811 262 HE2 PHE 32 HE2 PHE 32 -16.645 17.202 -0.729 263 HZ PHE 32 HZ PHE 32 -16.389 17.814 -3.101 264 H GLY 33 H GLY 33 -22.083 13.193 -3.599 265 HA2 GLY 33 HA2 GLY 33 -21.760 15.004 -5.698 266 HA3 GLY 33 HA3 GLY 33 -22.806 13.594 -5.739 267 H LYS 34 H LYS 34 -24.590 14.366 -3.679 268 HA LYS 34 HA LYS 34 -26.481 15.821 -5.114 269 HB2 LYS 34 HB2 LYS 34 -26.227 15.346 -2.142 270 HB3 LYS 34 HB3 LYS 34 -27.639 16.078 -2.892 271 HG2 LYS 34 HG2 LYS 34 -26.681 13.434 -3.874 272 HG3 LYS 34 HG3 LYS 34 -27.584 13.524 -2.360 273 HD2 LYS 34 HD2 LYS 34 -29.381 14.742 -3.568 274 HD3 LYS 34 HD3 LYS 34 -28.491 14.490 -5.071 275 HE2 LYS 34 HE2 LYS 34 -28.636 12.054 -4.710 276 HE3 LYS 34 HE3 LYS 34 -29.588 12.345 -3.254 277 HZ1 LYS 34 HZ1 LYS 34 -31.130 13.626 -4.820 278 HZ2 LYS 34 HZ2 LYS 34 -31.167 11.937 -4.880 279 HZ3 LYS 34 HZ3 LYS 34 -30.338 12.808 -6.070 280 H LEU 35 H LEU 35 -23.837 16.903 -3.177 281 HA LEU 35 HA LEU 35 -24.878 19.639 -3.100 282 HB2 LEU 35 HB2 LEU 35 -22.261 18.790 -1.930 283 HB3 LEU 35 HB3 LEU 35 -23.322 20.110 -1.441 284 HG LEU 35 HG LEU 35 -23.735 17.166 -0.936 285 HD11 LEU 35 HD11 LEU 35 -23.053 19.514 0.813 286 HD12 LEU 35 HD12 LEU 35 -22.151 18.015 0.592 287 HD13 LEU 35 HD13 LEU 35 -23.691 17.998 1.452 288 HD21 LEU 35 HD21 LEU 35 -25.915 17.680 -1.003 289 HD22 LEU 35 HD22 LEU 35 -25.609 19.416 -0.952 290 HD23 LEU 35 HD23 LEU 35 -25.610 18.476 0.541 291 H ALA 36 H ALA 36 -22.414 17.664 -4.574 292 HA ALA 36 HA ALA 36 -20.898 19.860 -5.632 293 HB1 ALA 36 HB1 ALA 36 -19.694 17.863 -5.271 294 HB2 ALA 36 HB2 ALA 36 -20.872 16.900 -6.163 295 HB3 ALA 36 HB3 ALA 36 -19.828 18.034 -7.021 296 H LYS 37 H LYS 37 -23.737 18.173 -6.557 297 HA LYS 37 HA LYS 37 -23.541 18.862 -9.364 298 HB2 LYS 37 HB2 LYS 37 -24.846 16.874 -8.021 299 HB3 LYS 37 HB3 LYS 37 -26.155 18.011 -8.309 300 HG2 LYS 37 HG2 LYS 37 -24.557 17.632 -10.683 301 HG3 LYS 37 HG3 LYS 37 -25.181 16.100 -10.067 302 HD2 LYS 37 HD2 LYS 37 -27.078 18.370 -10.156 303 HD3 LYS 37 HD3 LYS 37 -26.575 17.697 -11.709 304 HE2 LYS 37 HE2 LYS 37 -27.442 15.584 -11.200 305 HE3 LYS 37 HE3 LYS 37 -27.521 15.933 -9.474 306 HZ1 LYS 37 HZ1 LYS 37 -29.480 17.000 -9.687 307 HZ2 LYS 37 HZ2 LYS 37 -29.633 16.026 -11.061 308 HZ3 LYS 37 HZ3 LYS 37 -29.119 17.630 -11.215 309 H GLU 38 H GLU 38 -24.072 20.665 -6.740 310 HA GLU 38 HA GLU 38 -25.793 22.529 -8.215 311 HB2 GLU 38 HB2 GLU 38 -26.108 21.843 -5.287 312 HB3 GLU 38 HB3 GLU 38 -26.992 23.100 -6.140 313 HG2 GLU 38 HG2 GLU 38 -27.140 20.377 -7.272 314 HG3 GLU 38 HG3 GLU 38 -27.958 20.648 -5.734 315 H LEU 39 H LEU 39 -23.990 22.294 -5.142 316 HA LEU 39 HA LEU 39 -23.327 24.989 -4.938 317 HB2 LEU 39 HB2 LEU 39 -21.793 22.585 -3.965 318 HB3 LEU 39 HB3 LEU 39 -21.507 24.244 -3.445 319 HG LEU 39 HG LEU 39 -23.953 22.564 -2.912 320 HD11 LEU 39 HD11 LEU 39 -22.953 22.028 -1.011 321 HD12 LEU 39 HD12 LEU 39 -22.745 23.733 -0.612 322 HD13 LEU 39 HD13 LEU 39 -21.506 22.887 -1.540 323 HD21 LEU 39 HD21 LEU 39 -24.325 24.749 -1.411 324 HD22 LEU 39 HD22 LEU 39 -24.996 24.569 -3.032 325 HD23 LEU 39 HD23 LEU 39 -23.507 25.484 -2.790 326 H SER 40 H SER 40 -21.397 22.320 -6.292 327 HA SER 40 HA SER 40 -19.136 23.722 -7.017 328 HB2 SER 40 HB2 SER 40 -19.838 21.167 -7.278 329 HB3 SER 40 HB3 SER 40 -20.164 21.679 -8.934 330 HG SER 40 HG SER 40 -17.906 22.683 -8.621 331 H ILE 41 H ILE 41 -19.217 25.664 -7.976 332 HA ILE 41 HA ILE 41 -21.134 26.303 -10.017 333 HB ILE 41 HB ILE 41 -19.870 28.445 -10.199 334 HG12 ILE 41 HG12 ILE 41 -18.327 27.914 -7.753 335 HG13 ILE 41 HG13 ILE 41 -17.772 27.019 -9.163 336 HG21 ILE 41 HG21 ILE 41 -21.277 29.125 -8.627 337 HG22 ILE 41 HG22 ILE 41 -21.435 27.465 -8.056 338 HG23 ILE 41 HG23 ILE 41 -20.194 28.517 -7.374 339 HD11 ILE 41 HD11 ILE 41 -16.589 28.837 -9.639 340 HD12 ILE 41 HD12 ILE 41 -18.119 29.558 -10.143 341 HD13 ILE 41 HD13 ILE 41 -17.507 29.834 -8.513 342 H ASP 42 H ASP 42 -17.951 25.000 -9.940 343 HA ASP 42 HA ASP 42 -16.977 25.801 -12.439 344 HB2 ASP 42 HB2 ASP 42 -15.482 24.759 -10.886 345 HB3 ASP 42 HB3 ASP 42 -16.474 23.306 -10.813 346 H SER 43 H SER 43 -17.883 25.507 -14.356 347 HA SER 43 HA SER 43 -20.030 23.882 -14.952 348 HB2 SER 43 HB2 SER 43 -17.844 24.893 -16.783 349 HB3 SER 43 HB3 SER 43 -19.343 24.156 -17.349 350 HG SER 43 HG SER 43 -19.170 26.471 -15.714 351 H GLY 44 H GLY 44 -16.579 23.161 -15.195 352 HA2 GLY 44 HA2 GLY 44 -17.141 20.485 -16.210 353 HA3 GLY 44 HA3 GLY 44 -15.552 21.203 -15.991 354 H SER 45 H SER 45 -18.247 20.770 -13.713 355 HA SER 45 HA SER 45 -16.870 18.699 -12.270 356 HB2 SER 45 HB2 SER 45 -15.644 20.644 -11.437 357 HB3 SER 45 HB3 SER 45 -17.159 21.438 -11.010 358 HG SER 45 HG SER 45 -16.157 20.394 -9.218 359 H ALA 46 H ALA 46 -19.435 21.130 -12.270 360 HA ALA 46 HA ALA 46 -21.101 19.824 -10.386 361 HB1 ALA 46 HB1 ALA 46 -22.511 21.438 -12.358 362 HB2 ALA 46 HB2 ALA 46 -22.394 21.630 -10.608 363 HB3 ALA 46 HB3 ALA 46 -21.121 22.261 -11.652 364 H LYS 47 H LYS 47 -20.288 19.044 -13.557 365 HA LYS 47 HA LYS 47 -22.806 17.710 -14.156 366 HB2 LYS 47 HB2 LYS 47 -21.205 18.982 -15.816 367 HB3 LYS 47 HB3 LYS 47 -20.361 17.440 -15.858 368 HG2 LYS 47 HG2 LYS 47 -23.287 17.357 -16.251 369 HG3 LYS 47 HG3 LYS 47 -22.324 18.074 -17.546 370 HD2 LYS 47 HD2 LYS 47 -20.893 15.824 -16.959 371 HD3 LYS 47 HD3 LYS 47 -22.551 15.280 -16.684 372 HE2 LYS 47 HE2 LYS 47 -22.139 14.823 -18.946 373 HE3 LYS 47 HE3 LYS 47 -23.084 16.311 -18.954 374 HZ1 LYS 47 HZ1 LYS 47 -20.333 15.860 -19.751 375 HZ2 LYS 47 HZ2 LYS 47 -20.602 17.280 -18.872 376 HZ3 LYS 47 HZ3 LYS 47 -21.450 17.003 -20.309 377 H LYS 48 H LYS 48 -19.741 17.011 -12.798 378 HA LYS 48 HA LYS 48 -20.275 14.119 -13.015 379 HB2 LYS 48 HB2 LYS 48 -17.761 13.965 -12.428 380 HB3 LYS 48 HB3 LYS 48 -18.214 14.420 -14.065 381 HG2 LYS 48 HG2 LYS 48 -17.839 16.640 -12.162 382 HG3 LYS 48 HG3 LYS 48 -16.391 15.733 -12.603 383 HD2 LYS 48 HD2 LYS 48 -18.238 16.573 -14.779 384 HD3 LYS 48 HD3 LYS 48 -17.229 17.808 -14.022 385 HE2 LYS 48 HE2 LYS 48 -15.270 16.852 -14.763 386 HE3 LYS 48 HE3 LYS 48 -15.980 15.245 -14.896 387 HZ1 LYS 48 HZ1 LYS 48 -16.809 15.677 -16.948 388 HZ2 LYS 48 HZ2 LYS 48 -15.479 16.719 -17.002 389 HZ3 LYS 48 HZ3 LYS 48 -17.018 17.331 -16.659 390 H ASN 49 H ASN 49 -21.283 16.107 -11.033 391 HA ASN 49 HA ASN 49 -21.612 16.306 -8.789 392 HB2 ASN 49 HB2 ASN 49 -20.800 13.400 -8.963 393 HB3 ASN 49 HB3 ASN 49 -21.421 14.145 -7.494 394 HD21 ASN 49 HD21 ASN 49 -23.535 15.332 -7.809 395 HD22 ASN 49 HD22 ASN 49 -24.726 14.537 -8.776 396 H GLY 50 H GLY 50 -18.988 17.017 -9.825 397 HA2 GLY 50 HA2 GLY 50 -16.966 17.724 -8.998 398 HA3 GLY 50 HA3 GLY 50 -17.649 17.490 -7.395 399 H ASN 51 H ASN 51 -17.698 14.710 -9.359 400 HA ASN 51 HA ASN 51 -15.611 13.511 -7.712 401 HB2 ASN 51 HB2 ASN 51 -18.044 12.565 -8.494 402 HB3 ASN 51 HB3 ASN 51 -16.995 11.829 -9.702 403 HD21 ASN 51 HD21 ASN 51 -16.934 12.461 -6.207 404 HD22 ASN 51 HD22 ASN 51 -16.397 10.880 -5.761 405 H LEU 52 H LEU 52 -13.692 14.215 -8.580 406 HA LEU 52 HA LEU 52 -13.195 14.000 -11.423 407 HB2 LEU 52 HB2 LEU 52 -10.954 14.849 -10.852 408 HB3 LEU 52 HB3 LEU 52 -12.257 15.879 -10.262 409 HG LEU 52 HG LEU 52 -11.894 14.584 -8.027 410 HD11 LEU 52 HD11 LEU 52 -10.226 13.129 -7.973 411 HD12 LEU 52 HD12 LEU 52 -9.094 14.424 -8.361 412 HD13 LEU 52 HD13 LEU 52 -9.835 13.484 -9.656 413 HD21 LEU 52 HD21 LEU 52 -10.963 16.489 -7.311 414 HD22 LEU 52 HD22 LEU 52 -11.133 17.030 -8.982 415 HD23 LEU 52 HD23 LEU 52 -9.601 16.352 -8.425 416 H GLY 53 H GLY 53 -13.389 11.758 -9.111 417 HA2 GLY 53 HA2 GLY 53 -12.626 9.600 -8.925 418 HA3 GLY 53 HA3 GLY 53 -12.018 9.775 -10.564 419 H TYR 54 H TYR 54 -9.981 9.087 -10.568 420 HA TYR 54 HA TYR 54 -8.261 9.571 -8.272 421 HB2 TYR 54 HB2 TYR 54 -8.259 7.744 -10.584 422 HB3 TYR 54 HB3 TYR 54 -6.668 8.327 -10.102 423 HD1 TYR 54 HD1 TYR 54 -9.598 7.589 -7.933 424 HD2 TYR 54 HD2 TYR 54 -5.682 6.437 -9.135 425 HE1 TYR 54 HE1 TYR 54 -9.540 5.922 -6.126 426 HE2 TYR 54 HE2 TYR 54 -5.614 4.766 -7.332 427 HH TYR 54 HH TYR 54 -6.638 4.221 -5.286 428 H PHE 55 H PHE 55 -6.500 10.889 -8.242 429 HA PHE 55 HA PHE 55 -5.770 12.317 -10.691 430 HB2 PHE 55 HB2 PHE 55 -6.110 14.438 -9.846 431 HB3 PHE 55 HB3 PHE 55 -7.455 13.574 -9.108 432 HD1 PHE 55 HD2 PHE 55 -6.408 12.238 -6.847 433 HD2 PHE 55 HD1 PHE 55 -5.294 16.032 -8.421 434 HE1 PHE 55 HE2 PHE 55 -5.630 12.930 -4.618 435 HE2 PHE 55 HE1 PHE 55 -4.513 16.730 -6.196 436 HZ PHE 55 HZ PHE 55 -4.679 15.179 -4.291 437 H THR 56 H THR 56 -3.838 13.906 -9.997 438 HA THR 56 HA THR 56 -2.056 12.612 -8.089 439 HB THR 56 HB THR 56 -0.238 12.314 -9.628 440 HG1 THR 56 HG1 THR 56 -0.546 13.986 -11.076 441 HG21 THR 56 HG21 THR 56 -1.767 10.442 -9.521 442 HG22 THR 56 HG22 THR 56 -1.180 10.620 -11.174 443 HG23 THR 56 HG23 THR 56 -2.799 11.175 -10.749 444 H LYS 57 H LYS 57 0.098 13.856 -8.015 445 HA LYS 57 HA LYS 57 -0.519 16.603 -7.533 446 HB2 LYS 57 HB2 LYS 57 2.237 15.380 -7.580 447 HB3 LYS 57 HB3 LYS 57 1.699 16.792 -6.681 448 HG2 LYS 57 HG2 LYS 57 0.070 15.049 -5.570 449 HG3 LYS 57 HG3 LYS 57 1.307 13.905 -6.098 450 HD2 LYS 57 HD2 LYS 57 1.796 16.353 -4.400 451 HD3 LYS 57 HD3 LYS 57 1.691 14.697 -3.800 452 HE2 LYS 57 HE2 LYS 57 3.573 14.200 -5.488 453 HE3 LYS 57 HE3 LYS 57 3.798 15.949 -5.529 454 HZ1 LYS 57 HZ1 LYS 57 5.245 15.293 -3.884 455 HZ2 LYS 57 HZ2 LYS 57 4.224 14.080 -3.296 456 HZ3 LYS 57 HZ3 LYS 57 3.878 15.705 -2.975 457 H GLY 58 H GLY 58 -0.928 17.805 -9.315 458 HA2 GLY 58 HA2 GLY 58 0.609 19.242 -10.779 459 HA3 GLY 58 HA3 GLY 58 1.027 17.703 -11.518 460 H MET 59 H MET 59 -2.085 17.303 -10.735 461 HA MET 59 HA MET 59 -2.975 18.127 -13.406 462 HB2 MET 59 HB2 MET 59 -4.201 16.173 -11.452 463 HB3 MET 59 HB3 MET 59 -4.835 16.539 -13.052 464 HG2 MET 59 HG2 MET 59 -2.029 15.578 -12.777 465 HG3 MET 59 HG3 MET 59 -3.359 14.429 -12.653 466 HE1 MET 59 HE1 MET 59 -5.429 14.594 -14.832 467 HE2 MET 59 HE2 MET 59 -4.498 13.788 -16.094 468 HE3 MET 59 HE3 MET 59 -4.323 13.286 -14.412 469 H MET 60 H MET 60 -2.959 19.395 -10.427 470 HA MET 60 HA MET 60 -5.454 20.860 -10.910 471 HB2 MET 60 HB2 MET 60 -4.600 19.912 -8.172 472 HB3 MET 60 HB3 MET 60 -6.082 20.763 -8.584 473 HG2 MET 60 HG2 MET 60 -5.417 18.070 -9.723 474 HG3 MET 60 HG3 MET 60 -6.246 18.267 -8.180 475 HE1 MET 60 HE1 MET 60 -6.848 16.744 -10.666 476 HE2 MET 60 HE2 MET 60 -8.576 16.732 -10.314 477 HE3 MET 60 HE3 MET 60 -7.991 17.406 -11.835 478 H VAL 61 H VAL 61 -5.392 22.574 -8.782 479 HA VAL 61 HA VAL 61 -3.046 24.192 -9.429 480 HB VAL 61 HB VAL 61 -4.231 26.066 -8.482 481 HG11 VAL 61 HG11 VAL 61 -4.828 25.041 -10.797 482 HG12 VAL 61 HG12 VAL 61 -6.362 24.645 -10.021 483 HG13 VAL 61 HG13 VAL 61 -5.832 26.324 -10.125 484 HG21 VAL 61 HG21 VAL 61 -6.377 24.095 -7.699 485 HG22 VAL 61 HG22 VAL 61 -5.267 24.903 -6.591 486 HG23 VAL 61 HG23 VAL 61 -6.451 25.846 -7.496 487 H LYS 62 H LYS 62 -2.065 25.479 -7.644 488 HA LYS 62 HA LYS 62 -0.952 23.853 -5.693 489 HB2 LYS 62 HB2 LYS 62 0.297 25.749 -6.027 490 HB3 LYS 62 HB3 LYS 62 -1.115 26.793 -6.128 491 HG2 LYS 62 HG2 LYS 62 0.200 27.277 -4.143 492 HG3 LYS 62 HG3 LYS 62 -1.398 26.665 -3.712 493 HD2 LYS 62 HD2 LYS 62 0.153 25.580 -2.281 494 HD3 LYS 62 HD3 LYS 62 -0.340 24.388 -3.485 495 HE2 LYS 62 HE2 LYS 62 1.997 24.167 -3.298 496 HE3 LYS 62 HE3 LYS 62 1.727 25.065 -4.791 497 HZ1 LYS 62 HZ1 LYS 62 3.505 26.058 -3.530 498 HZ2 LYS 62 HZ2 LYS 62 2.514 26.220 -2.170 499 HZ3 LYS 62 HZ3 LYS 62 2.188 27.118 -3.565 500 HA PRO 63 HA PRO 63 -4.015 25.736 -2.464 501 HB2 PRO 63 HB2 PRO 63 -6.108 27.174 -3.427 502 HB3 PRO 63 HB3 PRO 63 -4.550 27.902 -3.015 503 HG2 PRO 63 HG2 PRO 63 -5.615 27.096 -5.694 504 HG3 PRO 63 HG3 PRO 63 -4.733 28.564 -5.236 505 HD2 PRO 63 HD2 PRO 63 -3.538 26.470 -6.468 506 HD3 PRO 63 HD3 PRO 63 -2.686 27.506 -5.305 507 H PHE 64 H PHE 64 -4.149 23.324 -3.898 508 HA PHE 64 HA PHE 64 -6.762 22.440 -3.177 509 HB2 PHE 64 HB2 PHE 64 -7.370 23.395 -5.323 510 HB3 PHE 64 HB3 PHE 64 -6.057 22.530 -6.116 511 HD1 PHE 64 HD2 PHE 64 -6.171 20.070 -6.356 512 HD2 PHE 64 HD1 PHE 64 -9.445 22.349 -4.872 513 HE1 PHE 64 HE2 PHE 64 -7.682 18.180 -6.798 514 HE2 PHE 64 HE1 PHE 64 -10.961 20.462 -5.311 515 HZ PHE 64 HZ PHE 64 -10.081 18.374 -6.274 516 H GLU 65 H GLU 65 -4.243 21.491 -5.522 517 HA GLU 65 HA GLU 65 -4.322 18.766 -5.085 518 HB2 GLU 65 HB2 GLU 65 -3.059 19.805 -6.910 519 HB3 GLU 65 HB3 GLU 65 -1.907 20.457 -5.754 520 HG2 GLU 65 HG2 GLU 65 -1.960 17.731 -5.225 521 HG3 GLU 65 HG3 GLU 65 -2.012 17.852 -6.982 522 H ASP 66 H ASP 66 -2.498 21.236 -3.335 523 HA ASP 66 HA ASP 66 -0.921 19.607 -1.734 524 HB2 ASP 66 HB2 ASP 66 -1.027 22.208 -1.958 525 HB3 ASP 66 HB3 ASP 66 -2.163 22.099 -0.618 526 H ALA 67 H ALA 67 -4.100 21.003 -0.909 527 HA ALA 67 HA ALA 67 -4.335 19.121 1.311 528 HB1 ALA 67 HB1 ALA 67 -5.683 20.619 2.295 529 HB2 ALA 67 HB2 ALA 67 -5.034 21.742 1.099 530 HB3 ALA 67 HB3 ALA 67 -6.577 20.940 0.809 531 H ALA 68 H ALA 68 -4.460 18.138 -1.414 532 HA ALA 68 HA ALA 68 -7.281 17.354 -1.656 533 HB1 ALA 68 HB1 ALA 68 -6.552 16.507 -3.920 534 HB2 ALA 68 HB2 ALA 68 -6.482 18.255 -3.693 535 HB3 ALA 68 HB3 ALA 68 -5.004 17.296 -3.621 536 H PHE 69 H PHE 69 -4.137 16.173 -0.873 537 HA PHE 69 HA PHE 69 -5.215 13.433 -0.731 538 HB2 PHE 69 HB2 PHE 69 -2.720 12.774 -0.886 539 HB3 PHE 69 HB3 PHE 69 -3.539 13.284 -2.360 540 HD1 PHE 69 HD2 PHE 69 -1.706 14.894 0.469 541 HD2 PHE 69 HD1 PHE 69 -2.338 14.659 -3.734 542 HE1 PHE 69 HE2 PHE 69 0.012 16.620 0.118 543 HE2 PHE 69 HE1 PHE 69 -0.621 16.384 -4.092 544 HZ PHE 69 HZ PHE 69 0.557 17.366 -2.165 545 H LYS 70 H LYS 70 -4.161 16.058 1.018 546 HA LYS 70 HA LYS 70 -2.800 14.717 3.148 547 HB2 LYS 70 HB2 LYS 70 -4.042 17.462 2.934 548 HB3 LYS 70 HB3 LYS 70 -3.185 16.898 4.363 549 HG2 LYS 70 HG2 LYS 70 -1.138 16.728 3.168 550 HG3 LYS 70 HG3 LYS 70 -1.948 16.997 1.623 551 HD2 LYS 70 HD2 LYS 70 -0.772 19.006 2.417 552 HD3 LYS 70 HD3 LYS 70 -2.513 19.264 2.284 553 HE2 LYS 70 HE2 LYS 70 -2.787 19.482 4.524 554 HE3 LYS 70 HE3 LYS 70 -1.514 18.322 4.901 555 HZ1 LYS 70 HZ1 LYS 70 -1.270 20.949 5.250 556 HZ2 LYS 70 HZ2 LYS 70 -0.631 20.806 3.690 557 HZ3 LYS 70 HZ3 LYS 70 0.044 19.922 4.963 558 H LEU 71 H LEU 71 -6.007 14.818 2.214 559 HA LEU 71 HA LEU 71 -7.188 14.780 4.843 560 HB2 LEU 71 HB2 LEU 71 -8.552 13.846 2.347 561 HB3 LEU 71 HB3 LEU 71 -9.252 14.606 3.776 562 HG LEU 71 HG LEU 71 -7.443 16.087 1.883 563 HD11 LEU 71 HD11 LEU 71 -10.375 16.474 1.758 564 HD12 LEU 71 HD12 LEU 71 -9.718 15.029 0.988 565 HD13 LEU 71 HD13 LEU 71 -9.151 16.626 0.495 566 HD21 LEU 71 HD21 LEU 71 -9.583 17.169 3.690 567 HD22 LEU 71 HD22 LEU 71 -8.243 18.028 2.929 568 HD23 LEU 71 HD23 LEU 71 -7.932 16.901 4.251 569 H GLN 72 H GLN 72 -8.759 12.887 5.304 570 HA GLN 72 HA GLN 72 -7.183 10.428 5.121 571 HB2 GLN 72 HB2 GLN 72 -9.434 11.272 6.945 572 HB3 GLN 72 HB3 GLN 72 -8.787 9.636 6.916 573 HG2 GLN 72 HG2 GLN 72 -6.573 10.521 7.508 574 HG3 GLN 72 HG3 GLN 72 -7.262 12.142 7.590 575 HE21 GLN 72 HE21 GLN 72 -7.418 8.918 8.991 576 HE22 GLN 72 HE22 GLN 72 -7.991 9.420 10.542 577 H VAL 73 H VAL 73 -8.740 8.392 5.251 578 HA VAL 73 HA VAL 73 -9.990 8.207 2.725 579 HB VAL 73 HB VAL 73 -10.225 6.347 5.095 580 HG11 VAL 73 HG11 VAL 73 -10.477 5.008 2.609 581 HG12 VAL 73 HG12 VAL 73 -11.673 5.167 3.896 582 HG13 VAL 73 HG13 VAL 73 -11.598 6.368 2.606 583 HG21 VAL 73 HG21 VAL 73 -8.591 5.071 3.412 584 HG22 VAL 73 HG22 VAL 73 -8.179 6.732 2.988 585 HG23 VAL 73 HG23 VAL 73 -8.003 6.178 4.653 586 H GLY 74 H GLY 74 -11.604 9.780 2.582 587 HA2 GLY 74 HA2 GLY 74 -13.960 10.030 2.490 588 HA3 GLY 74 HA3 GLY 74 -14.097 9.029 3.928 589 H GLU 75 H GLU 75 -11.759 11.590 3.831 590 HA GLU 75 HA GLU 75 -13.365 13.055 5.810 591 HB2 GLU 75 HB2 GLU 75 -10.586 12.317 5.676 592 HB3 GLU 75 HB3 GLU 75 -10.734 14.067 5.773 593 HG2 GLU 75 HG2 GLU 75 -10.517 12.961 7.971 594 HG3 GLU 75 HG3 GLU 75 -11.988 13.916 7.801 595 H VAL 76 H VAL 76 -14.040 15.073 5.415 596 HA VAL 76 HA VAL 76 -13.579 16.200 2.793 597 HB VAL 76 HB VAL 76 -15.225 17.253 5.098 598 HG11 VAL 76 HG11 VAL 76 -16.258 18.326 2.806 599 HG12 VAL 76 HG12 VAL 76 -15.170 19.158 3.920 600 HG13 VAL 76 HG13 VAL 76 -14.524 18.360 2.485 601 HG21 VAL 76 HG21 VAL 76 -15.691 15.050 3.468 602 HG22 VAL 76 HG22 VAL 76 -16.874 15.894 4.466 603 HG23 VAL 76 HG23 VAL 76 -16.676 16.337 2.770 604 H SER 77 H SER 77 -12.431 18.004 2.298 605 HA SER 77 HA SER 77 -10.485 18.894 4.231 606 HB2 SER 77 HB2 SER 77 -10.090 18.504 1.716 607 HB3 SER 77 HB3 SER 77 -10.874 20.067 1.482 608 HG SER 77 HG SER 77 -8.643 20.344 1.654 609 H GLU 78 H GLU 78 -10.068 21.517 3.644 610 HA GLU 78 HA GLU 78 -12.457 22.771 4.800 611 HB2 GLU 78 HB2 GLU 78 -10.010 24.378 4.697 612 HB3 GLU 78 HB3 GLU 78 -11.093 24.060 6.046 613 HG2 GLU 78 HG2 GLU 78 -10.030 21.885 6.384 614 HG3 GLU 78 HG3 GLU 78 -8.935 22.218 5.044 615 HA PRO 79 HA PRO 79 -13.276 25.309 1.320 616 HB2 PRO 79 HB2 PRO 79 -13.820 27.725 2.435 617 HB3 PRO 79 HB3 PRO 79 -14.913 26.341 2.558 618 HG2 PRO 79 HG2 PRO 79 -12.936 27.377 4.553 619 HG3 PRO 79 HG3 PRO 79 -14.595 26.809 4.813 620 HD2 PRO 79 HD2 PRO 79 -12.431 25.267 5.330 621 HD3 PRO 79 HD3 PRO 79 -13.976 24.589 4.778 622 H ILE 80 H ILE 80 -11.034 25.170 0.552 623 HA ILE 80 HA ILE 80 -9.156 27.221 1.226 624 HB ILE 80 HB ILE 80 -9.072 25.465 -1.221 625 HG12 ILE 80 HG12 ILE 80 -9.423 24.079 0.789 626 HG13 ILE 80 HG13 ILE 80 -7.815 23.846 0.111 627 HG21 ILE 80 HG21 ILE 80 -7.202 27.282 0.151 628 HG22 ILE 80 HG22 ILE 80 -6.526 25.751 -0.402 629 HG23 ILE 80 HG23 ILE 80 -7.310 26.835 -1.551 630 HD11 ILE 80 HD11 ILE 80 -8.448 25.615 2.460 631 HD12 ILE 80 HD12 ILE 80 -7.822 23.968 2.564 632 HD13 ILE 80 HD13 ILE 80 -6.849 25.236 1.820 633 H LYS 81 H LYS 81 -9.512 29.269 0.678 634 HA LYS 81 HA LYS 81 -11.113 30.027 -1.569 635 HB2 LYS 81 HB2 LYS 81 -10.979 31.352 0.530 636 HB3 LYS 81 HB3 LYS 81 -9.308 31.743 0.146 637 HG2 LYS 81 HG2 LYS 81 -10.034 33.515 -0.958 638 HG3 LYS 81 HG3 LYS 81 -10.794 32.432 -2.126 639 HD2 LYS 81 HD2 LYS 81 -12.823 32.382 -0.751 640 HD3 LYS 81 HD3 LYS 81 -12.062 33.473 0.409 641 HE2 LYS 81 HE2 LYS 81 -12.431 34.167 -2.496 642 HE3 LYS 81 HE3 LYS 81 -13.638 34.534 -1.265 643 HZ1 LYS 81 HZ1 LYS 81 -11.833 35.748 -0.062 644 HZ2 LYS 81 HZ2 LYS 81 -12.306 36.449 -1.526 645 HZ3 LYS 81 HZ3 LYS 81 -10.865 35.567 -1.439 646 H SER 82 H SER 82 -10.423 29.910 -3.595 647 HA SER 82 HA SER 82 -7.680 30.786 -4.195 648 HB2 SER 82 HB2 SER 82 -8.819 28.654 -5.915 649 HB3 SER 82 HB3 SER 82 -7.157 28.912 -5.391 650 HG SER 82 HG SER 82 -8.062 28.263 -3.228 651 H GLU 83 H GLU 83 -7.663 30.666 -6.883 652 HA GLU 83 HA GLU 83 -9.018 32.959 -7.681 653 HB2 GLU 83 HB2 GLU 83 -8.301 32.464 -9.910 654 HB3 GLU 83 HB3 GLU 83 -7.029 31.944 -8.814 655 HG2 GLU 83 HG2 GLU 83 -8.316 29.643 -8.990 656 HG3 GLU 83 HG3 GLU 83 -8.839 30.336 -10.525 657 H PHE 84 H PHE 84 -10.019 29.616 -7.722 658 HA PHE 84 HA PHE 84 -12.398 30.215 -9.288 659 HB2 PHE 84 HB2 PHE 84 -11.624 27.593 -7.998 660 HB3 PHE 84 HB3 PHE 84 -12.818 27.844 -9.266 661 HD1 PHE 84 HD1 PHE 84 -11.650 29.319 -11.311 662 HD2 PHE 84 HD2 PHE 84 -9.753 26.511 -8.735 663 HE1 PHE 84 HE1 PHE 84 -9.921 28.927 -13.016 664 HE2 PHE 84 HE2 PHE 84 -8.020 26.116 -10.436 665 HZ PHE 84 HZ PHE 84 -8.104 27.323 -12.581 666 H GLY 85 H GLY 85 -11.425 29.942 -6.005 667 HA2 GLY 85 HA2 GLY 85 -13.072 31.035 -4.466 668 HA3 GLY 85 HA3 GLY 85 -14.259 29.944 -5.165 669 H TYR 86 H TYR 86 -14.747 29.085 -3.117 670 HA TYR 86 HA TYR 86 -12.703 27.865 -1.509 671 HB2 TYR 86 HB2 TYR 86 -15.721 27.740 -1.353 672 HB3 TYR 86 HB3 TYR 86 -14.636 27.030 -0.163 673 HD1 TYR 86 HD2 TYR 86 -12.727 28.841 0.605 674 HD2 TYR 86 HD1 TYR 86 -16.663 29.742 -0.734 675 HE1 TYR 86 HE2 TYR 86 -12.641 30.984 1.811 676 HE2 TYR 86 HE1 TYR 86 -16.587 31.887 0.467 677 HH TYR 86 HH TYR 86 -14.422 33.478 1.257 678 H HIS 87 H HIS 87 -11.833 25.939 -1.841 679 HA HIS 87 HA HIS 87 -13.208 24.036 -3.596 680 HB2 HIS 87 HB2 HIS 87 -10.334 24.295 -2.717 681 HB3 HIS 87 HB3 HIS 87 -10.937 22.876 -3.567 682 HD1 HIS 87 HD1 HIS 87 -11.285 23.068 -6.072 683 HD2 HIS 87 HD2 HIS 87 -10.278 26.678 -4.280 684 HE1 HIS 87 HE1 HIS 87 -10.800 24.648 -7.968 685 H ILE 88 H ILE 88 -14.155 22.283 -2.798 686 HA ILE 88 HA ILE 88 -13.498 21.475 -0.041 687 HB ILE 88 HB ILE 88 -16.081 21.065 -1.553 688 HG12 ILE 88 HG12 ILE 88 -15.694 23.399 -0.838 689 HG13 ILE 88 HG13 ILE 88 -17.034 22.658 0.030 690 HG21 ILE 88 HG21 ILE 88 -16.229 19.304 -0.156 691 HG22 ILE 88 HG22 ILE 88 -15.013 19.943 0.949 692 HG23 ILE 88 HG23 ILE 88 -16.671 20.538 1.023 693 HD11 ILE 88 HD11 ILE 88 -14.850 23.987 1.116 694 HD12 ILE 88 HD12 ILE 88 -16.059 23.036 1.979 695 HD13 ILE 88 HD13 ILE 88 -14.558 22.280 1.446 696 H ILE 89 H ILE 89 -11.800 20.095 -0.694 697 HA ILE 89 HA ILE 89 -12.330 17.931 -2.532 698 HB ILE 89 HB ILE 89 -9.934 18.205 -0.726 699 HG12 ILE 89 HG12 ILE 89 -9.232 19.090 -3.283 700 HG13 ILE 89 HG13 ILE 89 -10.769 19.878 -2.946 701 HG21 ILE 89 HG21 ILE 89 -10.712 16.188 -2.436 702 HG22 ILE 89 HG22 ILE 89 -9.568 17.123 -3.398 703 HG23 ILE 89 HG23 ILE 89 -9.078 16.468 -1.835 704 HD11 ILE 89 HD11 ILE 89 -9.547 20.369 -0.636 705 HD12 ILE 89 HD12 ILE 89 -8.129 20.239 -1.676 706 HD13 ILE 89 HD13 ILE 89 -9.388 21.418 -2.044 707 H LYS 90 H LYS 90 -12.825 15.865 -2.051 708 HA LYS 90 HA LYS 90 -12.724 14.987 0.742 709 HB2 LYS 90 HB2 LYS 90 -15.005 15.791 0.382 710 HB3 LYS 90 HB3 LYS 90 -15.158 14.765 -1.039 711 HG2 LYS 90 HG2 LYS 90 -14.691 12.817 0.563 712 HG3 LYS 90 HG3 LYS 90 -15.049 13.973 1.848 713 HD2 LYS 90 HD2 LYS 90 -17.262 14.254 1.131 714 HD3 LYS 90 HD3 LYS 90 -16.928 13.560 -0.458 715 HE2 LYS 90 HE2 LYS 90 -16.652 11.367 0.518 716 HE3 LYS 90 HE3 LYS 90 -16.837 12.031 2.141 717 HZ1 LYS 90 HZ1 LYS 90 -19.104 12.744 1.458 718 HZ2 LYS 90 HZ2 LYS 90 -18.895 11.067 1.507 719 HZ3 LYS 90 HZ3 LYS 90 -18.906 11.875 0.021 720 H ARG 91 H ARG 91 -11.635 13.145 0.829 721 HA ARG 91 HA ARG 91 -11.004 11.625 -1.486 722 HB2 ARG 91 HB2 ARG 91 -9.447 11.734 0.365 723 HB3 ARG 91 HB3 ARG 91 -10.634 11.025 1.452 724 HG2 ARG 91 HG2 ARG 91 -10.449 8.912 0.463 725 HG3 ARG 91 HG3 ARG 91 -9.645 9.560 -0.969 726 HD2 ARG 91 HD2 ARG 91 -7.635 9.921 0.191 727 HD3 ARG 91 HD3 ARG 91 -8.417 9.765 1.763 728 HE ARG 91 HE ARG 91 -8.794 7.330 0.686 729 HH11 ARG 91 HH11 ARG 91 -5.971 9.340 1.022 730 HH12 ARG 91 HH12 ARG 91 -4.873 8.004 1.133 731 HH21 ARG 91 HH21 ARG 91 -7.358 5.564 0.832 732 HH22 ARG 91 HH22 ARG 91 -5.663 5.857 1.024 733 H PHE 92 H PHE 92 -11.676 9.573 -2.101 734 HA PHE 92 HA PHE 92 -14.153 8.621 -0.821 735 HB2 PHE 92 HB2 PHE 92 -13.444 8.990 -3.695 736 HB3 PHE 92 HB3 PHE 92 -14.483 7.635 -3.266 737 HD1 PHE 92 HD1 PHE 92 -14.226 11.204 -2.195 738 HD2 PHE 92 HD2 PHE 92 -16.691 8.064 -3.670 739 HE1 PHE 92 HE1 PHE 92 -16.168 12.714 -2.150 740 HE2 PHE 92 HE2 PHE 92 -18.637 9.569 -3.630 741 HZ PHE 92 HZ PHE 92 -18.378 11.896 -2.867 742 H GLY 93 H GLY 93 -11.080 7.795 -2.259 743 HA2 GLY 93 HA2 GLY 93 -11.272 5.051 -2.522 744 HA3 GLY 93 HA3 GLY 93 -9.797 5.897 -2.079 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.144 -1.610 -7.004 2 HA2 GLY 1 HA2 GLY 1 -1.742 0.267 -5.574 3 HA3 GLY 1 HA3 GLY 1 -0.883 -0.794 -4.468 4 HA PRO 2 HA PRO 2 2.502 1.629 -6.944 5 HB2 PRO 2 HB2 PRO 2 1.627 3.697 -8.470 6 HB3 PRO 2 HB3 PRO 2 1.804 2.052 -9.091 7 HG2 PRO 2 HG2 PRO 2 -0.661 3.467 -8.152 8 HG3 PRO 2 HG3 PRO 2 -0.440 2.427 -9.571 9 HD2 PRO 2 HD2 PRO 2 -1.582 1.542 -7.281 10 HD3 PRO 2 HD3 PRO 2 -0.618 0.489 -8.336 11 H SER 3 H SER 3 -0.320 3.204 -5.621 12 HA SER 3 HA SER 3 -0.579 4.869 -4.092 13 HB2 SER 3 HB2 SER 3 2.380 4.783 -3.543 14 HB3 SER 3 HB3 SER 3 1.061 5.144 -2.429 15 HG SER 3 HG SER 3 2.079 2.708 -3.248 16 H ASN 4 H ASN 4 -0.282 5.643 -6.728 17 HA ASN 4 HA ASN 4 1.350 8.087 -6.552 18 HB2 ASN 4 HB2 ASN 4 1.662 6.283 -8.436 19 HB3 ASN 4 HB3 ASN 4 0.247 7.057 -9.142 20 HD21 ASN 4 HD21 ASN 4 0.465 8.964 -10.161 21 HD22 ASN 4 HD22 ASN 4 1.959 9.817 -10.328 22 H LYS 5 H LYS 5 -1.826 6.801 -7.330 23 HA LYS 5 HA LYS 5 -2.882 9.552 -7.259 24 HB2 LYS 5 HB2 LYS 5 -4.769 8.325 -8.717 25 HB3 LYS 5 HB3 LYS 5 -3.378 9.125 -9.436 26 HG2 LYS 5 HG2 LYS 5 -2.212 6.989 -9.584 27 HG3 LYS 5 HG3 LYS 5 -3.595 6.180 -8.841 28 HD2 LYS 5 HD2 LYS 5 -4.681 6.080 -10.787 29 HD3 LYS 5 HD3 LYS 5 -4.392 7.791 -11.113 30 HE2 LYS 5 HE2 LYS 5 -1.935 6.826 -11.579 31 HE3 LYS 5 HE3 LYS 5 -2.886 5.401 -11.992 32 HZ1 LYS 5 HZ1 LYS 5 -4.077 6.626 -13.617 33 HZ2 LYS 5 HZ2 LYS 5 -2.436 6.938 -13.877 34 HZ3 LYS 5 HZ3 LYS 5 -3.407 8.095 -13.115 35 H ILE 6 H ILE 6 -5.161 9.689 -6.576 36 HA ILE 6 HA ILE 6 -6.206 7.433 -5.076 37 HB ILE 6 HB ILE 6 -6.475 8.733 -2.996 38 HG12 ILE 6 HG12 ILE 6 -4.417 10.686 -3.939 39 HG13 ILE 6 HG13 ILE 6 -6.098 10.949 -4.392 40 HG21 ILE 6 HG21 ILE 6 -4.317 8.329 -2.163 41 HG22 ILE 6 HG22 ILE 6 -4.515 7.188 -3.492 42 HG23 ILE 6 HG23 ILE 6 -3.562 8.654 -3.723 43 HD11 ILE 6 HD11 ILE 6 -5.868 12.184 -2.456 44 HD12 ILE 6 HD12 ILE 6 -6.577 10.676 -1.875 45 HD13 ILE 6 HD13 ILE 6 -4.849 10.971 -1.681 46 H LYS 7 H LYS 7 -8.406 7.681 -4.463 47 HA LYS 7 HA LYS 7 -9.925 9.264 -6.292 48 HB2 LYS 7 HB2 LYS 7 -10.382 7.016 -4.635 49 HB3 LYS 7 HB3 LYS 7 -11.540 8.248 -4.148 50 HG2 LYS 7 HG2 LYS 7 -11.857 8.425 -6.782 51 HG3 LYS 7 HG3 LYS 7 -11.312 6.749 -6.689 52 HD2 LYS 7 HD2 LYS 7 -13.418 6.205 -6.197 53 HD3 LYS 7 HD3 LYS 7 -13.169 6.990 -4.635 54 HE2 LYS 7 HE2 LYS 7 -14.040 9.060 -5.467 55 HE3 LYS 7 HE3 LYS 7 -14.098 8.432 -7.114 56 HZ1 LYS 7 HZ1 LYS 7 -16.251 8.491 -5.762 57 HZ2 LYS 7 HZ2 LYS 7 -15.633 7.143 -4.949 58 HZ3 LYS 7 HZ3 LYS 7 -15.894 7.076 -6.618 59 H CYS 8 H CYS 8 -11.254 11.019 -5.890 60 HA CYS 8 HA CYS 8 -11.772 12.124 -3.361 61 HB2 CYS 8 HB2 CYS 8 -10.311 14.116 -3.454 62 HB3 CYS 8 HB3 CYS 8 -9.392 12.624 -3.299 63 HG CYS 8 HG CYS 8 -8.860 14.971 -5.379 64 H SER 9 H SER 9 -12.844 14.224 -3.491 65 HA SER 9 HA SER 9 -13.897 14.748 -6.194 66 HB2 SER 9 HB2 SER 9 -15.370 15.134 -3.579 67 HB3 SER 9 HB3 SER 9 -16.033 15.316 -5.203 68 HG SER 9 HG SER 9 -15.196 12.965 -5.333 69 H HIS 10 H HIS 10 -15.307 17.045 -5.688 70 HA HIS 10 HA HIS 10 -13.875 19.007 -4.242 71 HB2 HIS 10 HB2 HIS 10 -12.922 20.276 -6.121 72 HB3 HIS 10 HB3 HIS 10 -12.195 18.676 -5.993 73 HD1 HIS 10 HD1 HIS 10 -13.536 20.912 -8.420 74 HD2 HIS 10 HD2 HIS 10 -13.584 16.790 -7.901 75 HE1 HIS 10 HE1 HIS 10 -14.091 19.956 -10.678 76 H ILE 11 H ILE 11 -14.957 20.962 -4.179 77 HA ILE 11 HA ILE 11 -17.205 21.375 -5.997 78 HB ILE 11 HB ILE 11 -17.491 21.214 -2.998 79 HG12 ILE 11 HG12 ILE 11 -19.002 19.786 -5.195 80 HG13 ILE 11 HG13 ILE 11 -17.633 19.093 -4.331 81 HG21 ILE 11 HG21 ILE 11 -19.853 21.895 -3.404 82 HG22 ILE 11 HG22 ILE 11 -18.673 23.170 -3.706 83 HG23 ILE 11 HG23 ILE 11 -19.399 22.302 -5.058 84 HD11 ILE 11 HD11 ILE 11 -18.886 19.270 -2.235 85 HD12 ILE 11 HD12 ILE 11 -20.262 19.920 -3.127 86 HD13 ILE 11 HD13 ILE 11 -19.714 18.271 -3.429 87 H LEU 12 H LEU 12 -17.161 23.402 -6.687 88 HA LEU 12 HA LEU 12 -15.737 25.412 -5.098 89 HB2 LEU 12 HB2 LEU 12 -16.268 25.010 -7.982 90 HB3 LEU 12 HB3 LEU 12 -16.197 26.675 -7.410 91 HG LEU 12 HG LEU 12 -14.051 26.000 -8.298 92 HD11 LEU 12 HD11 LEU 12 -14.333 27.417 -6.147 93 HD12 LEU 12 HD12 LEU 12 -12.731 26.829 -6.592 94 HD13 LEU 12 HD13 LEU 12 -13.655 26.006 -5.335 95 HD21 LEU 12 HD21 LEU 12 -13.021 24.048 -7.877 96 HD22 LEU 12 HD22 LEU 12 -14.629 23.513 -7.390 97 HD23 LEU 12 HD23 LEU 12 -13.473 24.055 -6.172 98 H VAL 13 H VAL 13 -16.690 27.261 -4.385 99 HA VAL 13 HA VAL 13 -19.469 27.798 -5.140 100 HB VAL 13 HB VAL 13 -20.176 28.109 -2.849 101 HG11 VAL 13 HG11 VAL 13 -19.960 25.743 -2.031 102 HG12 VAL 13 HG12 VAL 13 -20.549 25.913 -3.685 103 HG13 VAL 13 HG13 VAL 13 -18.874 25.449 -3.388 104 HG21 VAL 13 HG21 VAL 13 -18.758 27.585 -0.957 105 HG22 VAL 13 HG22 VAL 13 -17.428 27.165 -2.036 106 HG23 VAL 13 HG23 VAL 13 -17.998 28.831 -1.946 107 H SER 14 H SER 14 -20.074 29.894 -3.602 108 HA SER 14 HA SER 14 -17.880 31.820 -3.987 109 HB2 SER 14 HB2 SER 14 -19.872 31.830 -5.699 110 HB3 SER 14 HB3 SER 14 -20.731 32.652 -4.395 111 HG SER 14 HG SER 14 -18.812 33.599 -6.070 112 H LYS 15 H LYS 15 -19.321 30.310 -1.680 113 HA LYS 15 HA LYS 15 -19.141 32.511 0.180 114 HB2 LYS 15 HB2 LYS 15 -21.394 32.088 1.155 115 HB3 LYS 15 HB3 LYS 15 -21.446 32.775 -0.464 116 HG2 LYS 15 HG2 LYS 15 -21.647 30.303 -1.227 117 HG3 LYS 15 HG3 LYS 15 -22.138 30.017 0.444 118 HD2 LYS 15 HD2 LYS 15 -23.421 31.994 -1.442 119 HD3 LYS 15 HD3 LYS 15 -24.063 30.399 -1.041 120 HE2 LYS 15 HE2 LYS 15 -24.086 31.123 1.361 121 HE3 LYS 15 HE3 LYS 15 -23.681 32.748 0.808 122 HZ1 LYS 15 HZ1 LYS 15 -25.729 33.030 -0.150 123 HZ2 LYS 15 HZ2 LYS 15 -26.144 32.076 1.183 124 HZ3 LYS 15 HZ3 LYS 15 -26.006 31.372 -0.350 125 H GLN 16 H GLN 16 -18.559 31.850 2.196 126 HA GLN 16 HA GLN 16 -17.525 29.267 2.545 127 HB2 GLN 16 HB2 GLN 16 -18.019 31.598 4.344 128 HB3 GLN 16 HB3 GLN 16 -17.622 30.047 5.070 129 HG2 GLN 16 HG2 GLN 16 -15.687 30.177 3.226 130 HG3 GLN 16 HG3 GLN 16 -15.943 31.899 3.507 131 HE21 GLN 16 HE21 GLN 16 -13.877 29.698 4.265 132 HE22 GLN 16 HE22 GLN 16 -13.547 30.049 5.924 133 H SER 17 H SER 17 -20.661 30.616 3.214 134 HA SER 17 HA SER 17 -21.601 28.720 5.057 135 HB2 SER 17 HB2 SER 17 -23.364 30.017 2.988 136 HB3 SER 17 HB3 SER 17 -23.755 29.588 4.653 137 HG SER 17 HG SER 17 -23.287 31.608 5.017 138 H GLU 18 H GLU 18 -20.896 28.442 1.733 139 HA GLU 18 HA GLU 18 -22.586 26.071 1.422 140 HB2 GLU 18 HB2 GLU 18 -21.117 27.847 -0.498 141 HB3 GLU 18 HB3 GLU 18 -21.594 26.226 -0.984 142 HG2 GLU 18 HG2 GLU 18 -23.942 26.849 -0.292 143 HG3 GLU 18 HG3 GLU 18 -23.363 28.509 -0.167 144 H ALA 19 H ALA 19 -19.205 27.049 0.848 145 HA ALA 19 HA ALA 19 -18.204 24.470 0.390 146 HB1 ALA 19 HB1 ALA 19 -15.984 25.491 0.972 147 HB2 ALA 19 HB2 ALA 19 -16.897 26.340 -0.276 148 HB3 ALA 19 HB3 ALA 19 -16.852 26.974 1.369 149 H LEU 20 H LEU 20 -18.736 26.272 3.355 150 HA LEU 20 HA LEU 20 -17.487 24.171 4.950 151 HB2 LEU 20 HB2 LEU 20 -17.254 26.715 5.334 152 HB3 LEU 20 HB3 LEU 20 -18.860 26.597 6.050 153 HG LEU 20 HG LEU 20 -17.550 24.641 7.401 154 HD11 LEU 20 HD11 LEU 20 -15.438 25.369 6.212 155 HD12 LEU 20 HD12 LEU 20 -15.363 25.307 7.972 156 HD13 LEU 20 HD13 LEU 20 -15.535 26.858 7.152 157 HD21 LEU 20 HD21 LEU 20 -17.438 27.514 8.273 158 HD22 LEU 20 HD22 LEU 20 -17.669 26.069 9.260 159 HD23 LEU 20 HD23 LEU 20 -18.956 26.619 8.185 160 H ALA 21 H ALA 21 -20.146 24.039 3.427 161 HA ALA 21 HA ALA 21 -21.825 23.219 5.707 162 HB1 ALA 21 HB1 ALA 21 -23.159 24.776 4.714 163 HB2 ALA 21 HB2 ALA 21 -22.477 24.502 3.111 164 HB3 ALA 21 HB3 ALA 21 -23.640 23.359 3.781 165 H ILE 22 H ILE 22 -20.181 22.190 2.881 166 HA ILE 22 HA ILE 22 -21.698 19.860 2.309 167 HB ILE 22 HB ILE 22 -18.811 20.491 1.683 168 HG12 ILE 22 HG12 ILE 22 -20.441 20.489 -0.624 169 HG13 ILE 22 HG13 ILE 22 -21.310 21.415 0.594 170 HG21 ILE 22 HG21 ILE 22 -19.304 18.740 -0.165 171 HG22 ILE 22 HG22 ILE 22 -18.899 18.190 1.460 172 HG23 ILE 22 HG23 ILE 22 -20.580 18.203 0.927 173 HD11 ILE 22 HD11 ILE 22 -18.597 21.935 -0.563 174 HD12 ILE 22 HD12 ILE 22 -20.020 22.978 -0.564 175 HD13 ILE 22 HD13 ILE 22 -19.138 22.690 0.936 176 H MET 23 H MET 23 -19.136 20.589 4.558 177 HA MET 23 HA MET 23 -18.678 17.795 5.195 178 HB2 MET 23 HB2 MET 23 -17.090 18.723 6.888 179 HB3 MET 23 HB3 MET 23 -16.745 19.215 5.235 180 HG2 MET 23 HG2 MET 23 -18.444 21.180 6.269 181 HG3 MET 23 HG3 MET 23 -17.284 20.824 7.547 182 HE1 MET 23 HE1 MET 23 -15.055 21.849 7.705 183 HE2 MET 23 HE2 MET 23 -14.635 23.208 6.662 184 HE3 MET 23 HE3 MET 23 -16.171 23.204 7.532 185 H GLU 24 H GLU 24 -21.095 19.836 5.876 186 HA GLU 24 HA GLU 24 -21.472 18.775 8.600 187 HB2 GLU 24 HB2 GLU 24 -22.955 21.184 7.638 188 HB3 GLU 24 HB3 GLU 24 -22.495 20.737 9.274 189 HG2 GLU 24 HG2 GLU 24 -20.062 21.085 8.190 190 HG3 GLU 24 HG3 GLU 24 -20.997 22.223 7.222 191 H LYS 25 H LYS 25 -23.068 19.594 5.554 192 HA LYS 25 HA LYS 25 -25.641 18.701 6.186 193 HB2 LYS 25 HB2 LYS 25 -24.129 18.992 3.610 194 HB3 LYS 25 HB3 LYS 25 -25.737 18.281 3.618 195 HG2 LYS 25 HG2 LYS 25 -25.374 20.873 5.010 196 HG3 LYS 25 HG3 LYS 25 -25.334 20.870 3.246 197 HD2 LYS 25 HD2 LYS 25 -27.515 19.842 3.155 198 HD3 LYS 25 HD3 LYS 25 -27.546 19.668 4.911 199 HE2 LYS 25 HE2 LYS 25 -28.892 21.567 4.225 200 HE3 LYS 25 HE3 LYS 25 -27.487 22.110 5.140 201 HZ1 LYS 25 HZ1 LYS 25 -28.266 22.837 2.543 202 HZ2 LYS 25 HZ2 LYS 25 -26.773 22.049 2.446 203 HZ3 LYS 25 HZ3 LYS 25 -26.951 23.403 3.444 204 H LEU 26 H LEU 26 -22.989 16.963 4.561 205 HA LEU 26 HA LEU 26 -24.260 14.526 4.200 206 HB2 LEU 26 HB2 LEU 26 -21.355 14.996 4.851 207 HB3 LEU 26 HB3 LEU 26 -22.027 13.537 4.127 208 HG LEU 26 HG LEU 26 -21.883 16.274 2.867 209 HD11 LEU 26 HD11 LEU 26 -19.802 15.536 2.443 210 HD12 LEU 26 HD12 LEU 26 -20.605 14.571 1.205 211 HD13 LEU 26 HD13 LEU 26 -20.217 13.853 2.769 212 HD21 LEU 26 HD21 LEU 26 -22.619 14.770 0.840 213 HD22 LEU 26 HD22 LEU 26 -23.813 15.478 1.927 214 HD23 LEU 26 HD23 LEU 26 -23.342 13.789 2.116 215 H LYS 27 H LYS 27 -22.981 15.955 7.088 216 HA LYS 27 HA LYS 27 -22.598 13.712 8.691 217 HB2 LYS 27 HB2 LYS 27 -22.160 16.241 9.152 218 HB3 LYS 27 HB3 LYS 27 -23.796 16.231 9.798 219 HG2 LYS 27 HG2 LYS 27 -23.125 14.414 11.342 220 HG3 LYS 27 HG3 LYS 27 -21.470 14.573 10.748 221 HD2 LYS 27 HD2 LYS 27 -21.705 17.056 11.394 222 HD3 LYS 27 HD3 LYS 27 -23.100 16.527 12.340 223 HE2 LYS 27 HE2 LYS 27 -21.353 16.453 13.873 224 HE3 LYS 27 HE3 LYS 27 -21.489 14.780 13.333 225 HZ1 LYS 27 HZ1 LYS 27 -19.430 14.834 12.547 226 HZ2 LYS 27 HZ2 LYS 27 -19.227 16.333 13.303 227 HZ3 LYS 27 HZ3 LYS 27 -19.706 16.261 11.682 228 H SER 28 H SER 28 -25.511 15.146 7.526 229 HA SER 28 HA SER 28 -27.210 13.880 9.494 230 HB2 SER 28 HB2 SER 28 -28.050 15.947 8.720 231 HB3 SER 28 HB3 SER 28 -27.736 15.540 7.033 232 HG SER 28 HG SER 28 -29.574 14.506 6.942 233 H GLY 29 H GLY 29 -25.859 13.112 6.425 234 HA2 GLY 29 HA2 GLY 29 -25.870 10.694 5.907 235 HA3 GLY 29 HA3 GLY 29 -27.584 10.715 6.294 236 H GLU 30 H GLU 30 -25.692 13.008 4.358 237 HA GLU 30 HA GLU 30 -27.543 12.506 2.132 238 HB2 GLU 30 HB2 GLU 30 -25.666 14.847 2.311 239 HB3 GLU 30 HB3 GLU 30 -27.155 14.700 1.387 240 HG2 GLU 30 HG2 GLU 30 -28.333 14.552 3.647 241 HG3 GLU 30 HG3 GLU 30 -26.817 15.134 4.331 242 H LYS 31 H LYS 31 -26.108 13.538 0.041 243 HA LYS 31 HA LYS 31 -23.770 11.751 -0.132 244 HB2 LYS 31 HB2 LYS 31 -25.928 11.123 -1.438 245 HB3 LYS 31 HB3 LYS 31 -25.466 12.434 -2.515 246 HG2 LYS 31 HG2 LYS 31 -24.620 10.462 -3.478 247 HG3 LYS 31 HG3 LYS 31 -23.234 11.285 -2.760 248 HD2 LYS 31 HD2 LYS 31 -23.261 9.809 -0.869 249 HD3 LYS 31 HD3 LYS 31 -24.776 9.077 -1.404 250 HE2 LYS 31 HE2 LYS 31 -23.542 8.377 -3.498 251 HE3 LYS 31 HE3 LYS 31 -22.058 8.869 -2.683 252 HZ1 LYS 31 HZ1 LYS 31 -23.540 7.216 -0.964 253 HZ2 LYS 31 HZ2 LYS 31 -22.016 6.933 -1.640 254 HZ3 LYS 31 HZ3 LYS 31 -23.411 6.442 -2.463 255 H PHE 32 H PHE 32 -21.923 12.602 -0.907 256 HA PHE 32 HA PHE 32 -21.469 15.323 -0.967 257 HB2 PHE 32 HB2 PHE 32 -19.693 13.609 -0.794 258 HB3 PHE 32 HB3 PHE 32 -19.930 13.212 -2.492 259 HD1 PHE 32 HD1 PHE 32 -19.458 14.974 -4.224 260 HD2 PHE 32 HD2 PHE 32 -18.308 15.382 -0.147 261 HE1 PHE 32 HE1 PHE 32 -17.835 16.711 -4.858 262 HE2 PHE 32 HE2 PHE 32 -16.684 17.120 -0.774 263 HZ PHE 32 HZ PHE 32 -16.446 17.787 -3.133 264 H GLY 33 H GLY 33 -21.940 13.154 -3.756 265 HA2 GLY 33 HA2 GLY 33 -21.711 15.028 -5.789 266 HA3 GLY 33 HA3 GLY 33 -22.702 13.579 -5.879 267 H LYS 34 H LYS 34 -24.495 14.293 -3.757 268 HA LYS 34 HA LYS 34 -26.450 15.677 -5.192 269 HB2 LYS 34 HB2 LYS 34 -26.600 14.147 -3.062 270 HB3 LYS 34 HB3 LYS 34 -26.468 15.674 -2.197 271 HG2 LYS 34 HG2 LYS 34 -28.779 15.136 -2.418 272 HG3 LYS 34 HG3 LYS 34 -28.430 16.501 -3.483 273 HD2 LYS 34 HD2 LYS 34 -28.465 15.126 -5.410 274 HD3 LYS 34 HD3 LYS 34 -28.434 13.648 -4.445 275 HE2 LYS 34 HE2 LYS 34 -30.690 15.650 -4.534 276 HE3 LYS 34 HE3 LYS 34 -30.664 14.097 -5.365 277 HZ1 LYS 34 HZ1 LYS 34 -30.222 13.219 -2.962 278 HZ2 LYS 34 HZ2 LYS 34 -31.797 13.558 -3.475 279 HZ3 LYS 34 HZ3 LYS 34 -30.967 14.667 -2.505 280 H LEU 35 H LEU 35 -23.821 16.838 -3.301 281 HA LEU 35 HA LEU 35 -24.967 19.536 -3.191 282 HB2 LEU 35 HB2 LEU 35 -22.338 18.770 -1.991 283 HB3 LEU 35 HB3 LEU 35 -23.452 20.047 -1.509 284 HG LEU 35 HG LEU 35 -23.764 17.087 -1.025 285 HD11 LEU 35 HD11 LEU 35 -23.960 18.393 1.366 286 HD12 LEU 35 HD12 LEU 35 -22.734 19.338 0.524 287 HD13 LEU 35 HD13 LEU 35 -22.508 17.604 0.750 288 HD21 LEU 35 HD21 LEU 35 -25.733 18.127 0.410 289 HD22 LEU 35 HD22 LEU 35 -25.960 17.646 -1.272 290 HD23 LEU 35 HD23 LEU 35 -25.691 19.342 -0.868 291 H ALA 36 H ALA 36 -22.513 17.631 -4.726 292 HA ALA 36 HA ALA 36 -20.999 19.869 -5.716 293 HB1 ALA 36 HB1 ALA 36 -20.950 16.931 -6.378 294 HB2 ALA 36 HB2 ALA 36 -19.873 18.118 -7.114 295 HB3 ALA 36 HB3 ALA 36 -19.814 17.832 -5.375 296 H LYS 37 H LYS 37 -23.822 18.174 -6.679 297 HA LYS 37 HA LYS 37 -23.642 18.882 -9.474 298 HB2 LYS 37 HB2 LYS 37 -25.714 17.763 -9.743 299 HB3 LYS 37 HB3 LYS 37 -24.803 16.818 -8.572 300 HG2 LYS 37 HG2 LYS 37 -26.068 17.883 -6.754 301 HG3 LYS 37 HG3 LYS 37 -27.010 18.771 -7.954 302 HD2 LYS 37 HD2 LYS 37 -26.843 15.800 -8.153 303 HD3 LYS 37 HD3 LYS 37 -27.902 16.519 -6.938 304 HE2 LYS 37 HE2 LYS 37 -29.309 16.279 -8.765 305 HE3 LYS 37 HE3 LYS 37 -28.782 17.955 -8.900 306 HZ1 LYS 37 HZ1 LYS 37 -26.985 16.251 -10.265 307 HZ2 LYS 37 HZ2 LYS 37 -27.908 17.530 -10.875 308 HZ3 LYS 37 HZ3 LYS 37 -28.561 15.970 -10.811 309 H GLU 38 H GLU 38 -24.194 20.657 -6.794 310 HA GLU 38 HA GLU 38 -25.804 22.602 -8.291 311 HB2 GLU 38 HB2 GLU 38 -26.209 22.119 -5.345 312 HB3 GLU 38 HB3 GLU 38 -27.195 23.092 -6.426 313 HG2 GLU 38 HG2 GLU 38 -27.457 20.739 -7.645 314 HG3 GLU 38 HG3 GLU 38 -27.157 20.168 -6.004 315 H LEU 39 H LEU 39 -24.053 22.230 -5.204 316 HA LEU 39 HA LEU 39 -23.343 24.900 -4.883 317 HB2 LEU 39 HB2 LEU 39 -21.758 22.484 -4.028 318 HB3 LEU 39 HB3 LEU 39 -21.618 24.111 -3.366 319 HG LEU 39 HG LEU 39 -23.971 22.244 -3.088 320 HD11 LEU 39 HD11 LEU 39 -23.398 22.393 -0.684 321 HD12 LEU 39 HD12 LEU 39 -21.943 23.287 -1.119 322 HD13 LEU 39 HD13 LEU 39 -22.145 21.620 -1.656 323 HD21 LEU 39 HD21 LEU 39 -24.647 24.142 -1.437 324 HD22 LEU 39 HD22 LEU 39 -25.012 24.299 -3.155 325 HD23 LEU 39 HD23 LEU 39 -23.625 25.145 -2.467 326 H SER 40 H SER 40 -21.441 22.262 -6.335 327 HA SER 40 HA SER 40 -19.160 23.660 -6.997 328 HB2 SER 40 HB2 SER 40 -19.884 21.130 -7.362 329 HB3 SER 40 HB3 SER 40 -20.220 21.709 -8.994 330 HG SER 40 HG SER 40 -17.956 22.672 -8.690 331 H ILE 41 H ILE 41 -19.229 25.649 -7.863 332 HA ILE 41 HA ILE 41 -21.127 26.409 -9.872 333 HB ILE 41 HB ILE 41 -19.804 28.523 -9.983 334 HG12 ILE 41 HG12 ILE 41 -18.265 27.782 -7.569 335 HG13 ILE 41 HG13 ILE 41 -17.722 27.042 -9.071 336 HG21 ILE 41 HG21 ILE 41 -21.314 29.064 -8.443 337 HG22 ILE 41 HG22 ILE 41 -21.268 27.446 -7.743 338 HG23 ILE 41 HG23 ILE 41 -20.107 28.666 -7.219 339 HD11 ILE 41 HD11 ILE 41 -16.536 28.898 -9.357 340 HD12 ILE 41 HD12 ILE 41 -18.066 29.670 -9.774 341 HD13 ILE 41 HD13 ILE 41 -17.447 29.774 -8.126 342 H ASP 42 H ASP 42 -17.989 25.006 -9.878 343 HA ASP 42 HA ASP 42 -17.040 25.885 -12.374 344 HB2 ASP 42 HB2 ASP 42 -15.522 24.817 -10.856 345 HB3 ASP 42 HB3 ASP 42 -16.504 23.355 -10.813 346 H SER 43 H SER 43 -18.010 25.640 -14.267 347 HA SER 43 HA SER 43 -20.154 24.009 -14.852 348 HB2 SER 43 HB2 SER 43 -18.024 24.969 -16.779 349 HB3 SER 43 HB3 SER 43 -19.633 24.401 -17.226 350 HG SER 43 HG SER 43 -18.838 26.823 -16.191 351 H GLY 44 H GLY 44 -16.709 23.305 -15.124 352 HA2 GLY 44 HA2 GLY 44 -17.265 20.658 -16.224 353 HA3 GLY 44 HA3 GLY 44 -15.678 21.377 -15.989 354 H SER 45 H SER 45 -18.360 20.875 -13.712 355 HA SER 45 HA SER 45 -16.950 18.778 -12.328 356 HB2 SER 45 HB2 SER 45 -15.779 20.724 -11.427 357 HB3 SER 45 HB3 SER 45 -17.316 21.474 -10.996 358 HG SER 45 HG SER 45 -16.657 20.505 -9.161 359 H ALA 46 H ALA 46 -19.578 21.141 -12.288 360 HA ALA 46 HA ALA 46 -21.226 19.759 -10.449 361 HB1 ALA 46 HB1 ALA 46 -21.304 22.215 -11.602 362 HB2 ALA 46 HB2 ALA 46 -22.600 21.386 -12.467 363 HB3 ALA 46 HB3 ALA 46 -22.637 21.485 -10.706 364 H LYS 47 H LYS 47 -20.370 19.061 -13.636 365 HA LYS 47 HA LYS 47 -22.835 17.653 -14.274 366 HB2 LYS 47 HB2 LYS 47 -20.263 18.099 -15.786 367 HB3 LYS 47 HB3 LYS 47 -21.545 17.052 -16.383 368 HG2 LYS 47 HG2 LYS 47 -22.255 19.827 -15.598 369 HG3 LYS 47 HG3 LYS 47 -21.368 19.579 -17.105 370 HD2 LYS 47 HD2 LYS 47 -23.828 17.984 -16.473 371 HD3 LYS 47 HD3 LYS 47 -23.945 19.596 -17.182 372 HE2 LYS 47 HE2 LYS 47 -22.379 17.295 -18.348 373 HE3 LYS 47 HE3 LYS 47 -23.990 17.788 -18.869 374 HZ1 LYS 47 HZ1 LYS 47 -22.617 20.093 -19.020 375 HZ2 LYS 47 HZ2 LYS 47 -22.871 19.044 -20.322 376 HZ3 LYS 47 HZ3 LYS 47 -21.423 18.974 -19.450 377 H LYS 48 H LYS 48 -19.795 17.025 -12.849 378 HA LYS 48 HA LYS 48 -20.251 14.123 -13.097 379 HB2 LYS 48 HB2 LYS 48 -17.734 14.013 -12.521 380 HB3 LYS 48 HB3 LYS 48 -18.200 14.469 -14.155 381 HG2 LYS 48 HG2 LYS 48 -17.846 16.674 -12.224 382 HG3 LYS 48 HG3 LYS 48 -16.391 15.806 -12.717 383 HD2 LYS 48 HD2 LYS 48 -18.260 16.575 -14.874 384 HD3 LYS 48 HD3 LYS 48 -17.399 17.893 -14.076 385 HE2 LYS 48 HE2 LYS 48 -15.931 17.355 -15.762 386 HE3 LYS 48 HE3 LYS 48 -15.314 16.360 -14.443 387 HZ1 LYS 48 HZ1 LYS 48 -15.969 14.461 -15.447 388 HZ2 LYS 48 HZ2 LYS 48 -15.810 15.396 -16.848 389 HZ3 LYS 48 HZ3 LYS 48 -17.337 15.155 -16.159 390 H ASN 49 H ASN 49 -21.325 16.044 -11.112 391 HA ASN 49 HA ASN 49 -21.646 16.240 -8.866 392 HB2 ASN 49 HB2 ASN 49 -20.799 13.357 -9.119 393 HB3 ASN 49 HB3 ASN 49 -21.302 14.052 -7.581 394 HD21 ASN 49 HD21 ASN 49 -23.435 15.279 -7.729 395 HD22 ASN 49 HD22 ASN 49 -24.698 14.491 -8.605 396 H GLY 50 H GLY 50 -19.008 16.965 -9.943 397 HA2 GLY 50 HA2 GLY 50 -16.981 17.688 -9.148 398 HA3 GLY 50 HA3 GLY 50 -17.694 17.577 -7.546 399 H ASN 51 H ASN 51 -17.675 14.682 -9.373 400 HA ASN 51 HA ASN 51 -15.629 13.592 -7.589 401 HB2 ASN 51 HB2 ASN 51 -17.653 12.319 -7.586 402 HB3 ASN 51 HB3 ASN 51 -17.711 12.289 -9.346 403 HD21 ASN 51 HD21 ASN 51 -17.251 10.377 -10.127 404 HD22 ASN 51 HD22 ASN 51 -16.091 9.263 -9.495 405 H LEU 52 H LEU 52 -13.829 14.533 -8.681 406 HA LEU 52 HA LEU 52 -13.287 14.079 -11.426 407 HB2 LEU 52 HB2 LEU 52 -10.975 14.763 -10.833 408 HB3 LEU 52 HB3 LEU 52 -12.220 15.899 -10.319 409 HG LEU 52 HG LEU 52 -11.990 14.581 -8.041 410 HD11 LEU 52 HD11 LEU 52 -9.938 13.420 -9.578 411 HD12 LEU 52 HD12 LEU 52 -10.273 13.194 -7.862 412 HD13 LEU 52 HD13 LEU 52 -9.158 14.457 -8.383 413 HD21 LEU 52 HD21 LEU 52 -11.075 16.485 -7.294 414 HD22 LEU 52 HD22 LEU 52 -11.235 17.031 -8.963 415 HD23 LEU 52 HD23 LEU 52 -9.701 16.372 -8.393 416 H GLY 53 H GLY 53 -13.205 12.024 -8.753 417 HA2 GLY 53 HA2 GLY 53 -12.678 9.775 -8.661 418 HA3 GLY 53 HA3 GLY 53 -12.119 9.879 -10.324 419 H TYR 54 H TYR 54 -10.102 9.152 -10.410 420 HA TYR 54 HA TYR 54 -8.293 9.569 -8.173 421 HB2 TYR 54 HB2 TYR 54 -8.431 7.754 -10.488 422 HB3 TYR 54 HB3 TYR 54 -6.805 8.286 -10.070 423 HD1 TYR 54 HD1 TYR 54 -9.718 7.543 -7.864 424 HD2 TYR 54 HD2 TYR 54 -5.784 6.454 -9.066 425 HE1 TYR 54 HE1 TYR 54 -9.639 5.868 -6.064 426 HE2 TYR 54 HE2 TYR 54 -5.694 4.776 -7.270 427 HH TYR 54 HH TYR 54 -6.843 3.722 -5.675 428 H PHE 55 H PHE 55 -6.566 10.903 -8.158 429 HA PHE 55 HA PHE 55 -5.838 12.294 -10.636 430 HB2 PHE 55 HB2 PHE 55 -6.113 14.418 -9.782 431 HB3 PHE 55 HB3 PHE 55 -7.447 13.584 -8.993 432 HD1 PHE 55 HD2 PHE 55 -6.377 12.240 -6.762 433 HD2 PHE 55 HD1 PHE 55 -5.180 15.982 -8.398 434 HE1 PHE 55 HE2 PHE 55 -5.502 12.916 -4.565 435 HE2 PHE 55 HE1 PHE 55 -4.302 16.665 -6.204 436 HZ PHE 55 HZ PHE 55 -4.462 15.131 -4.283 437 H THR 56 H THR 56 -3.846 13.829 -9.996 438 HA THR 56 HA THR 56 -2.046 12.473 -8.145 439 HB THR 56 HB THR 56 -0.269 12.187 -9.748 440 HG1 THR 56 HG1 THR 56 -0.435 13.668 -11.301 441 HG21 THR 56 HG21 THR 56 -2.880 11.049 -10.752 442 HG22 THR 56 HG22 THR 56 -1.785 10.315 -9.582 443 HG23 THR 56 HG23 THR 56 -1.285 10.498 -11.262 444 H LYS 57 H LYS 57 0.210 13.673 -8.312 445 HA LYS 57 HA LYS 57 -0.360 16.435 -7.724 446 HB2 LYS 57 HB2 LYS 57 2.340 15.085 -7.801 447 HB3 LYS 57 HB3 LYS 57 1.912 16.566 -6.956 448 HG2 LYS 57 HG2 LYS 57 0.186 14.921 -5.774 449 HG3 LYS 57 HG3 LYS 57 1.429 13.746 -6.210 450 HD2 LYS 57 HD2 LYS 57 2.277 16.294 -4.925 451 HD3 LYS 57 HD3 LYS 57 1.514 15.060 -3.919 452 HE2 LYS 57 HE2 LYS 57 3.742 14.494 -3.742 453 HE3 LYS 57 HE3 LYS 57 3.220 13.464 -5.073 454 HZ1 LYS 57 HZ1 LYS 57 4.414 16.130 -5.538 455 HZ2 LYS 57 HZ2 LYS 57 4.233 14.855 -6.635 456 HZ3 LYS 57 HZ3 LYS 57 5.366 14.739 -5.385 457 H GLY 58 H GLY 58 -0.598 17.829 -9.353 458 HA2 GLY 58 HA2 GLY 58 0.836 19.179 -10.889 459 HA3 GLY 58 HA3 GLY 58 1.306 17.646 -11.607 460 H MET 59 H MET 59 -1.940 17.680 -10.677 461 HA MET 59 HA MET 59 -2.760 18.317 -13.436 462 HB2 MET 59 HB2 MET 59 -3.918 16.278 -11.528 463 HB3 MET 59 HB3 MET 59 -4.632 16.706 -13.076 464 HG2 MET 59 HG2 MET 59 -1.798 15.836 -13.050 465 HG3 MET 59 HG3 MET 59 -3.044 14.619 -12.786 466 HE1 MET 59 HE1 MET 59 -3.674 13.271 -15.610 467 HE2 MET 59 HE2 MET 59 -4.454 13.742 -14.100 468 HE3 MET 59 HE3 MET 59 -5.091 14.321 -15.639 469 H MET 60 H MET 60 -2.797 19.516 -10.425 470 HA MET 60 HA MET 60 -5.314 20.948 -10.901 471 HB2 MET 60 HB2 MET 60 -4.443 19.954 -8.184 472 HB3 MET 60 HB3 MET 60 -5.927 20.818 -8.564 473 HG2 MET 60 HG2 MET 60 -5.280 18.159 -9.789 474 HG3 MET 60 HG3 MET 60 -6.076 18.303 -8.223 475 HE1 MET 60 HE1 MET 60 -7.413 17.398 -11.772 476 HE2 MET 60 HE2 MET 60 -7.099 16.652 -10.205 477 HE3 MET 60 HE3 MET 60 -8.749 17.074 -10.666 478 H VAL 61 H VAL 61 -5.298 22.642 -8.766 479 HA VAL 61 HA VAL 61 -2.971 24.305 -9.370 480 HB VAL 61 HB VAL 61 -4.197 26.153 -8.443 481 HG11 VAL 61 HG11 VAL 61 -5.763 26.389 -10.105 482 HG12 VAL 61 HG12 VAL 61 -4.799 25.058 -10.748 483 HG13 VAL 61 HG13 VAL 61 -6.338 24.729 -9.950 484 HG21 VAL 61 HG21 VAL 61 -6.426 25.888 -7.466 485 HG22 VAL 61 HG22 VAL 61 -6.293 24.137 -7.633 486 HG23 VAL 61 HG23 VAL 61 -5.211 25.004 -6.542 487 H LYS 62 H LYS 62 -2.171 25.683 -7.490 488 HA LYS 62 HA LYS 62 -0.994 24.040 -5.562 489 HB2 LYS 62 HB2 LYS 62 0.211 25.966 -5.799 490 HB3 LYS 62 HB3 LYS 62 -1.222 26.964 -6.007 491 HG2 LYS 62 HG2 LYS 62 -1.595 27.103 -3.693 492 HG3 LYS 62 HG3 LYS 62 -0.477 25.779 -3.353 493 HD2 LYS 62 HD2 LYS 62 1.331 27.281 -4.349 494 HD3 LYS 62 HD3 LYS 62 0.154 28.588 -4.220 495 HE2 LYS 62 HE2 LYS 62 -0.078 27.906 -1.773 496 HE3 LYS 62 HE3 LYS 62 1.382 26.950 -2.020 497 HZ1 LYS 62 HZ1 LYS 62 2.662 28.768 -2.033 498 HZ2 LYS 62 HZ2 LYS 62 1.357 29.525 -1.268 499 HZ3 LYS 62 HZ3 LYS 62 1.565 29.681 -2.939 500 HA PRO 63 HA PRO 63 -4.172 25.770 -2.362 501 HB2 PRO 63 HB2 PRO 63 -6.280 27.179 -3.333 502 HB3 PRO 63 HB3 PRO 63 -4.749 27.934 -2.876 503 HG2 PRO 63 HG2 PRO 63 -5.744 27.163 -5.592 504 HG3 PRO 63 HG3 PRO 63 -4.905 28.642 -5.085 505 HD2 PRO 63 HD2 PRO 63 -3.637 26.606 -6.339 506 HD3 PRO 63 HD3 PRO 63 -2.833 27.636 -5.137 507 H PHE 64 H PHE 64 -4.220 23.384 -3.825 508 HA PHE 64 HA PHE 64 -6.833 22.432 -3.191 509 HB2 PHE 64 HB2 PHE 64 -7.388 23.407 -5.347 510 HB3 PHE 64 HB3 PHE 64 -6.044 22.563 -6.108 511 HD1 PHE 64 HD2 PHE 64 -6.121 20.101 -6.359 512 HD2 PHE 64 HD1 PHE 64 -9.464 22.338 -4.970 513 HE1 PHE 64 HE2 PHE 64 -7.598 18.197 -6.856 514 HE2 PHE 64 HE1 PHE 64 -10.946 20.437 -5.463 515 HZ PHE 64 HZ PHE 64 -10.014 18.363 -6.409 516 H GLU 65 H GLU 65 -4.185 21.596 -5.436 517 HA GLU 65 HA GLU 65 -4.218 18.860 -5.084 518 HB2 GLU 65 HB2 GLU 65 -2.869 19.839 -6.811 519 HB3 GLU 65 HB3 GLU 65 -1.896 20.709 -5.632 520 HG2 GLU 65 HG2 GLU 65 -1.066 18.549 -4.775 521 HG3 GLU 65 HG3 GLU 65 -1.975 17.729 -6.044 522 H ASP 66 H ASP 66 -2.346 21.262 -3.251 523 HA ASP 66 HA ASP 66 -0.965 19.557 -1.565 524 HB2 ASP 66 HB2 ASP 66 -0.482 21.927 -1.615 525 HB3 ASP 66 HB3 ASP 66 -2.089 22.307 -0.999 526 H ALA 67 H ALA 67 -4.216 20.917 -1.155 527 HA ALA 67 HA ALA 67 -4.619 19.178 1.174 528 HB1 ALA 67 HB1 ALA 67 -5.102 21.604 1.406 529 HB2 ALA 67 HB2 ALA 67 -6.383 21.422 0.207 530 HB3 ALA 67 HB3 ALA 67 -6.489 20.569 1.747 531 H ALA 68 H ALA 68 -4.562 18.019 -1.420 532 HA ALA 68 HA ALA 68 -7.388 17.262 -1.779 533 HB1 ALA 68 HB1 ALA 68 -5.139 17.493 -3.748 534 HB2 ALA 68 HB2 ALA 68 -6.547 16.484 -4.082 535 HB3 ALA 68 HB3 ALA 68 -6.748 18.215 -3.806 536 H PHE 69 H PHE 69 -4.228 16.183 -0.992 537 HA PHE 69 HA PHE 69 -5.189 13.399 -0.969 538 HB2 PHE 69 HB2 PHE 69 -2.679 12.831 -1.201 539 HB3 PHE 69 HB3 PHE 69 -3.545 13.366 -2.637 540 HD1 PHE 69 HD2 PHE 69 -1.724 14.947 0.215 541 HD2 PHE 69 HD1 PHE 69 -2.400 14.814 -3.985 542 HE1 PHE 69 HE2 PHE 69 -0.070 16.741 -0.105 543 HE2 PHE 69 HE1 PHE 69 -0.747 16.606 -4.311 544 HZ PHE 69 HZ PHE 69 0.422 17.571 -2.370 545 H LYS 70 H LYS 70 -4.348 15.971 0.888 546 HA LYS 70 HA LYS 70 -3.015 14.441 2.985 547 HB2 LYS 70 HB2 LYS 70 -2.437 16.467 3.963 548 HB3 LYS 70 HB3 LYS 70 -2.424 16.861 2.250 549 HG2 LYS 70 HG2 LYS 70 -4.756 17.729 2.522 550 HG3 LYS 70 HG3 LYS 70 -4.562 17.510 4.263 551 HD2 LYS 70 HD2 LYS 70 -2.469 18.951 4.041 552 HD3 LYS 70 HD3 LYS 70 -3.062 19.363 2.430 553 HE2 LYS 70 HE2 LYS 70 -5.174 20.146 3.461 554 HE3 LYS 70 HE3 LYS 70 -4.484 19.826 5.050 555 HZ1 LYS 70 HZ1 LYS 70 -2.809 21.461 3.384 556 HZ2 LYS 70 HZ2 LYS 70 -3.302 21.700 4.984 557 HZ3 LYS 70 HZ3 LYS 70 -4.311 22.170 3.710 558 H LEU 71 H LEU 71 -5.988 14.361 2.074 559 HA LEU 71 HA LEU 71 -7.302 15.021 4.593 560 HB2 LEU 71 HB2 LEU 71 -8.700 13.744 2.288 561 HB3 LEU 71 HB3 LEU 71 -9.315 14.893 3.474 562 HG LEU 71 HG LEU 71 -7.376 15.613 1.281 563 HD11 LEU 71 HD11 LEU 71 -9.692 16.832 0.615 564 HD12 LEU 71 HD12 LEU 71 -10.299 15.315 1.276 565 HD13 LEU 71 HD13 LEU 71 -9.149 15.296 -0.061 566 HD21 LEU 71 HD21 LEU 71 -9.072 17.304 3.116 567 HD22 LEU 71 HD22 LEU 71 -8.022 17.901 1.832 568 HD23 LEU 71 HD23 LEU 71 -7.326 17.083 3.231 569 H GLN 72 H GLN 72 -9.123 13.292 5.131 570 HA GLN 72 HA GLN 72 -7.678 10.786 5.578 571 HB2 GLN 72 HB2 GLN 72 -9.690 12.326 7.055 572 HB3 GLN 72 HB3 GLN 72 -10.002 10.596 7.028 573 HG2 GLN 72 HG2 GLN 72 -8.627 11.530 8.959 574 HG3 GLN 72 HG3 GLN 72 -8.019 10.095 8.135 575 HE21 GLN 72 HE21 GLN 72 -6.007 10.130 7.406 576 HE22 GLN 72 HE22 GLN 72 -5.013 11.535 7.260 577 H VAL 73 H VAL 73 -8.954 8.754 5.513 578 HA VAL 73 HA VAL 73 -10.111 8.374 2.981 579 HB VAL 73 HB VAL 73 -10.309 6.601 5.420 580 HG11 VAL 73 HG11 VAL 73 -11.612 5.269 4.218 581 HG12 VAL 73 HG12 VAL 73 -11.565 6.411 2.874 582 HG13 VAL 73 HG13 VAL 73 -10.349 5.139 2.995 583 HG21 VAL 73 HG21 VAL 73 -7.999 7.225 4.545 584 HG22 VAL 73 HG22 VAL 73 -8.364 5.505 4.677 585 HG23 VAL 73 HG23 VAL 73 -8.418 6.298 3.103 586 H GLY 74 H GLY 74 -11.850 9.754 2.658 587 HA2 GLY 74 HA2 GLY 74 -14.207 9.824 2.475 588 HA3 GLY 74 HA3 GLY 74 -14.326 8.892 3.961 589 H GLU 75 H GLU 75 -12.157 11.572 3.907 590 HA GLU 75 HA GLU 75 -13.994 13.039 5.670 591 HB2 GLU 75 HB2 GLU 75 -11.673 12.295 6.467 592 HB3 GLU 75 HB3 GLU 75 -11.037 13.538 5.400 593 HG2 GLU 75 HG2 GLU 75 -13.145 14.311 7.338 594 HG3 GLU 75 HG3 GLU 75 -11.523 13.996 7.950 595 H VAL 76 H VAL 76 -14.077 15.362 5.511 596 HA VAL 76 HA VAL 76 -13.747 16.274 2.738 597 HB VAL 76 HB VAL 76 -15.478 17.405 4.942 598 HG11 VAL 76 HG11 VAL 76 -15.372 19.283 3.732 599 HG12 VAL 76 HG12 VAL 76 -14.633 18.461 2.355 600 HG13 VAL 76 HG13 VAL 76 -16.384 18.431 2.565 601 HG21 VAL 76 HG21 VAL 76 -15.913 15.157 3.424 602 HG22 VAL 76 HG22 VAL 76 -17.159 16.118 4.220 603 HG23 VAL 76 HG23 VAL 76 -16.769 16.409 2.525 604 H SER 77 H SER 77 -12.359 17.852 2.238 605 HA SER 77 HA SER 77 -10.517 18.816 4.176 606 HB2 SER 77 HB2 SER 77 -10.244 18.465 1.587 607 HB3 SER 77 HB3 SER 77 -10.839 20.122 1.497 608 HG SER 77 HG SER 77 -8.799 19.580 3.317 609 H GLU 78 H GLU 78 -10.091 21.458 3.522 610 HA GLU 78 HA GLU 78 -12.454 22.727 4.724 611 HB2 GLU 78 HB2 GLU 78 -10.665 24.602 5.136 612 HB3 GLU 78 HB3 GLU 78 -10.728 23.189 6.180 613 HG2 GLU 78 HG2 GLU 78 -8.916 22.162 4.903 614 HG3 GLU 78 HG3 GLU 78 -8.851 23.581 3.859 615 HA PRO 79 HA PRO 79 -13.228 25.276 1.241 616 HB2 PRO 79 HB2 PRO 79 -13.823 27.672 2.373 617 HB3 PRO 79 HB3 PRO 79 -14.904 26.276 2.456 618 HG2 PRO 79 HG2 PRO 79 -12.980 27.306 4.506 619 HG3 PRO 79 HG3 PRO 79 -14.639 26.718 4.724 620 HD2 PRO 79 HD2 PRO 79 -12.470 25.192 5.268 621 HD3 PRO 79 HD3 PRO 79 -13.995 24.505 4.674 622 H ILE 80 H ILE 80 -11.017 25.206 0.453 623 HA ILE 80 HA ILE 80 -9.159 27.260 1.215 624 HB ILE 80 HB ILE 80 -9.022 25.503 -1.234 625 HG12 ILE 80 HG12 ILE 80 -9.333 24.162 0.834 626 HG13 ILE 80 HG13 ILE 80 -7.757 23.913 0.092 627 HG21 ILE 80 HG21 ILE 80 -7.082 27.227 0.248 628 HG22 ILE 80 HG22 ILE 80 -6.509 25.830 -0.661 629 HG23 ILE 80 HG23 ILE 80 -7.387 27.117 -1.485 630 HD11 ILE 80 HD11 ILE 80 -8.368 25.594 2.508 631 HD12 ILE 80 HD12 ILE 80 -7.506 24.056 2.469 632 HD13 ILE 80 HD13 ILE 80 -6.789 25.488 1.730 633 H LYS 81 H LYS 81 -9.531 29.308 0.680 634 HA LYS 81 HA LYS 81 -11.124 30.092 -1.549 635 HB2 LYS 81 HB2 LYS 81 -10.890 31.400 0.574 636 HB3 LYS 81 HB3 LYS 81 -9.247 31.802 0.092 637 HG2 LYS 81 HG2 LYS 81 -10.088 33.590 -0.909 638 HG3 LYS 81 HG3 LYS 81 -10.793 32.498 -2.103 639 HD2 LYS 81 HD2 LYS 81 -12.810 32.308 -0.691 640 HD3 LYS 81 HD3 LYS 81 -12.104 33.468 0.437 641 HE2 LYS 81 HE2 LYS 81 -12.336 34.202 -2.443 642 HE3 LYS 81 HE3 LYS 81 -13.780 34.242 -1.434 643 HZ1 LYS 81 HZ1 LYS 81 -11.270 35.770 -1.036 644 HZ2 LYS 81 HZ2 LYS 81 -12.501 35.684 0.120 645 HZ3 LYS 81 HZ3 LYS 81 -12.805 36.388 -1.388 646 H SER 82 H SER 82 -10.497 30.054 -3.595 647 HA SER 82 HA SER 82 -7.746 30.854 -4.247 648 HB2 SER 82 HB2 SER 82 -9.040 28.689 -5.856 649 HB3 SER 82 HB3 SER 82 -7.328 29.014 -5.588 650 HG SER 82 HG SER 82 -7.866 28.398 -3.306 651 H GLU 83 H GLU 83 -7.805 30.721 -6.945 652 HA GLU 83 HA GLU 83 -9.186 33.040 -7.684 653 HB2 GLU 83 HB2 GLU 83 -8.637 32.304 -10.044 654 HB3 GLU 83 HB3 GLU 83 -7.271 32.453 -8.949 655 HG2 GLU 83 HG2 GLU 83 -8.462 29.785 -9.013 656 HG3 GLU 83 HG3 GLU 83 -7.780 30.314 -10.550 657 H PHE 84 H PHE 84 -10.097 29.674 -7.795 658 HA PHE 84 HA PHE 84 -12.485 30.245 -9.362 659 HB2 PHE 84 HB2 PHE 84 -11.713 27.602 -8.126 660 HB3 PHE 84 HB3 PHE 84 -12.815 27.885 -9.469 661 HD1 PHE 84 HD1 PHE 84 -11.496 29.460 -11.358 662 HD2 PHE 84 HD2 PHE 84 -9.802 26.533 -8.774 663 HE1 PHE 84 HE1 PHE 84 -9.644 29.136 -12.945 664 HE2 PHE 84 HE2 PHE 84 -7.946 26.205 -10.356 665 HZ PHE 84 HZ PHE 84 -7.867 27.507 -12.445 666 H GLY 85 H GLY 85 -11.523 30.036 -6.096 667 HA2 GLY 85 HA2 GLY 85 -13.229 31.013 -4.557 668 HA3 GLY 85 HA3 GLY 85 -14.354 29.862 -5.259 669 H TYR 86 H TYR 86 -14.762 29.075 -3.128 670 HA TYR 86 HA TYR 86 -12.653 27.907 -1.579 671 HB2 TYR 86 HB2 TYR 86 -15.661 27.718 -1.342 672 HB3 TYR 86 HB3 TYR 86 -14.534 27.030 -0.179 673 HD1 TYR 86 HD2 TYR 86 -12.678 28.826 0.629 674 HD2 TYR 86 HD1 TYR 86 -16.581 29.753 -0.790 675 HE1 TYR 86 HE2 TYR 86 -12.598 30.972 1.828 676 HE2 TYR 86 HE1 TYR 86 -16.511 31.902 0.403 677 HH TYR 86 HH TYR 86 -13.796 32.751 2.500 678 H HIS 87 H HIS 87 -11.764 25.979 -1.859 679 HA HIS 87 HA HIS 87 -13.115 24.035 -3.589 680 HB2 HIS 87 HB2 HIS 87 -10.239 24.350 -2.733 681 HB3 HIS 87 HB3 HIS 87 -10.826 22.917 -3.572 682 HD1 HIS 87 HD1 HIS 87 -11.273 23.115 -6.075 683 HD2 HIS 87 HD2 HIS 87 -10.147 26.702 -4.307 684 HE1 HIS 87 HE1 HIS 87 -10.804 24.687 -7.982 685 H ILE 88 H ILE 88 -14.014 22.266 -2.771 686 HA ILE 88 HA ILE 88 -13.276 21.468 -0.030 687 HB ILE 88 HB ILE 88 -15.942 21.191 -1.422 688 HG12 ILE 88 HG12 ILE 88 -15.446 23.455 -0.584 689 HG13 ILE 88 HG13 ILE 88 -16.751 22.700 0.326 690 HG21 ILE 88 HG21 ILE 88 -14.782 19.734 0.797 691 HG22 ILE 88 HG22 ILE 88 -16.269 20.563 1.256 692 HG23 ILE 88 HG23 ILE 88 -16.272 19.432 -0.096 693 HD11 ILE 88 HD11 ILE 88 -13.895 23.066 1.185 694 HD12 ILE 88 HD12 ILE 88 -15.335 23.825 1.864 695 HD13 ILE 88 HD13 ILE 88 -15.071 22.094 2.067 696 H ILE 89 H ILE 89 -11.660 20.033 -0.733 697 HA ILE 89 HA ILE 89 -12.334 17.892 -2.558 698 HB ILE 89 HB ILE 89 -9.837 18.107 -0.886 699 HG12 ILE 89 HG12 ILE 89 -9.212 18.986 -3.444 700 HG13 ILE 89 HG13 ILE 89 -10.748 19.773 -3.100 701 HG21 ILE 89 HG21 ILE 89 -10.775 16.141 -2.615 702 HG22 ILE 89 HG22 ILE 89 -9.577 17.030 -3.553 703 HG23 ILE 89 HG23 ILE 89 -9.130 16.317 -2.003 704 HD11 ILE 89 HD11 ILE 89 -9.453 21.335 -2.163 705 HD12 ILE 89 HD12 ILE 89 -9.412 20.225 -0.793 706 HD13 ILE 89 HD13 ILE 89 -8.091 20.234 -1.961 707 H LYS 90 H LYS 90 -13.005 15.910 -2.033 708 HA LYS 90 HA LYS 90 -12.782 15.042 0.770 709 HB2 LYS 90 HB2 LYS 90 -15.073 15.810 0.376 710 HB3 LYS 90 HB3 LYS 90 -15.206 14.743 -1.015 711 HG2 LYS 90 HG2 LYS 90 -14.704 12.853 0.658 712 HG3 LYS 90 HG3 LYS 90 -15.119 14.044 1.893 713 HD2 LYS 90 HD2 LYS 90 -17.323 14.223 1.149 714 HD3 LYS 90 HD3 LYS 90 -16.945 13.531 -0.430 715 HE2 LYS 90 HE2 LYS 90 -16.631 11.353 0.550 716 HE3 LYS 90 HE3 LYS 90 -16.830 12.012 2.173 717 HZ1 LYS 90 HZ1 LYS 90 -18.859 10.976 1.505 718 HZ2 LYS 90 HZ2 LYS 90 -18.903 11.847 0.056 719 HZ3 LYS 90 HZ3 LYS 90 -19.115 12.649 1.531 720 H ARG 91 H ARG 91 -11.700 13.201 0.919 721 HA ARG 91 HA ARG 91 -11.012 11.644 -1.357 722 HB2 ARG 91 HB2 ARG 91 -9.587 11.891 0.677 723 HB3 ARG 91 HB3 ARG 91 -10.742 10.903 1.561 724 HG2 ARG 91 HG2 ARG 91 -10.111 8.974 0.511 725 HG3 ARG 91 HG3 ARG 91 -9.572 9.814 -0.945 726 HD2 ARG 91 HD2 ARG 91 -7.515 10.292 -0.075 727 HD3 ARG 91 HD3 ARG 91 -8.110 10.344 1.584 728 HE ARG 91 HE ARG 91 -8.293 7.710 0.643 729 HH11 ARG 91 HH11 ARG 91 -5.888 10.074 1.507 730 HH12 ARG 91 HH12 ARG 91 -4.712 8.895 1.983 731 HH21 ARG 91 HH21 ARG 91 -6.752 6.148 1.267 732 HH22 ARG 91 HH22 ARG 91 -5.203 6.661 1.845 733 H PHE 92 H PHE 92 -11.671 9.591 -1.962 734 HA PHE 92 HA PHE 92 -14.153 8.629 -0.698 735 HB2 PHE 92 HB2 PHE 92 -13.430 9.005 -3.565 736 HB3 PHE 92 HB3 PHE 92 -14.443 7.626 -3.148 737 HD1 PHE 92 HD1 PHE 92 -14.260 11.213 -2.119 738 HD2 PHE 92 HD2 PHE 92 -16.668 7.995 -3.518 739 HE1 PHE 92 HE1 PHE 92 -16.234 12.682 -2.088 740 HE2 PHE 92 HE2 PHE 92 -18.646 9.457 -3.490 741 HZ PHE 92 HZ PHE 92 -18.430 11.805 -2.775 742 H GLY 93 H GLY 93 -11.076 7.808 -2.147 743 HA2 GLY 93 HA2 GLY 93 -11.256 5.061 -2.370 744 HA3 GLY 93 HA3 GLY 93 -9.780 5.920 -1.954 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -2.839 -1.362 -6.256 2 HA2 GLY 1 HA2 GLY 1 -0.057 -1.505 -7.181 3 HA3 GLY 1 HA3 GLY 1 -1.247 -0.312 -7.679 4 HA PRO 2 HA PRO 2 1.638 1.498 -4.461 5 HB2 PRO 2 HB2 PRO 2 2.488 3.578 -5.986 6 HB3 PRO 2 HB3 PRO 2 3.283 1.999 -5.984 7 HG2 PRO 2 HG2 PRO 2 1.314 3.127 -7.937 8 HG3 PRO 2 HG3 PRO 2 2.798 2.207 -8.249 9 HD2 PRO 2 HD2 PRO 2 0.339 1.075 -8.325 10 HD3 PRO 2 HD3 PRO 2 1.785 0.183 -7.811 11 H SER 3 H SER 3 1.716 4.049 -4.013 12 HA SER 3 HA SER 3 -1.098 4.905 -3.948 13 HB2 SER 3 HB2 SER 3 -0.160 6.449 -2.075 14 HB3 SER 3 HB3 SER 3 -0.396 4.737 -1.725 15 HG SER 3 HG SER 3 1.774 4.399 -1.913 16 H ASN 4 H ASN 4 0.162 5.388 -6.312 17 HA ASN 4 HA ASN 4 1.384 7.978 -6.377 18 HB2 ASN 4 HB2 ASN 4 1.702 6.051 -8.052 19 HB3 ASN 4 HB3 ASN 4 0.170 6.569 -8.748 20 HD21 ASN 4 HD21 ASN 4 0.026 8.732 -9.572 21 HD22 ASN 4 HD22 ASN 4 1.443 9.520 -10.170 22 H LYS 5 H LYS 5 -1.828 6.688 -7.103 23 HA LYS 5 HA LYS 5 -2.845 9.451 -7.103 24 HB2 LYS 5 HB2 LYS 5 -4.691 8.237 -8.628 25 HB3 LYS 5 HB3 LYS 5 -3.271 9.030 -9.295 26 HG2 LYS 5 HG2 LYS 5 -2.113 6.894 -9.410 27 HG3 LYS 5 HG3 LYS 5 -3.515 6.087 -8.704 28 HD2 LYS 5 HD2 LYS 5 -4.487 5.927 -10.700 29 HD3 LYS 5 HD3 LYS 5 -4.322 7.664 -10.965 30 HE2 LYS 5 HE2 LYS 5 -1.984 7.273 -11.703 31 HE3 LYS 5 HE3 LYS 5 -2.262 5.539 -11.549 32 HZ1 LYS 5 HZ1 LYS 5 -2.574 6.139 -13.812 33 HZ2 LYS 5 HZ2 LYS 5 -3.614 7.410 -13.411 34 HZ3 LYS 5 HZ3 LYS 5 -4.105 5.809 -13.172 35 H ILE 6 H ILE 6 -5.138 9.629 -6.496 36 HA ILE 6 HA ILE 6 -6.277 7.390 -5.039 37 HB ILE 6 HB ILE 6 -6.599 8.695 -2.969 38 HG12 ILE 6 HG12 ILE 6 -4.465 10.604 -3.824 39 HG13 ILE 6 HG13 ILE 6 -6.118 10.902 -4.354 40 HG21 ILE 6 HG21 ILE 6 -4.693 7.097 -3.313 41 HG22 ILE 6 HG22 ILE 6 -3.675 8.494 -3.656 42 HG23 ILE 6 HG23 ILE 6 -4.428 8.320 -2.071 43 HD11 ILE 6 HD11 ILE 6 -5.488 12.101 -2.285 44 HD12 ILE 6 HD12 ILE 6 -6.878 11.032 -2.088 45 HD13 ILE 6 HD13 ILE 6 -5.295 10.542 -1.483 46 H LYS 7 H LYS 7 -8.493 7.652 -4.543 47 HA LYS 7 HA LYS 7 -9.909 9.289 -6.406 48 HB2 LYS 7 HB2 LYS 7 -10.478 7.044 -4.733 49 HB3 LYS 7 HB3 LYS 7 -11.677 8.290 -4.413 50 HG2 LYS 7 HG2 LYS 7 -11.712 8.363 -7.078 51 HG3 LYS 7 HG3 LYS 7 -11.205 6.688 -6.852 52 HD2 LYS 7 HD2 LYS 7 -13.347 6.171 -6.530 53 HD3 LYS 7 HD3 LYS 7 -13.272 7.078 -5.017 54 HE2 LYS 7 HE2 LYS 7 -15.071 8.041 -6.134 55 HE3 LYS 7 HE3 LYS 7 -13.740 9.142 -6.484 56 HZ1 LYS 7 HZ1 LYS 7 -15.231 7.420 -8.269 57 HZ2 LYS 7 HZ2 LYS 7 -13.559 7.428 -8.526 58 HZ3 LYS 7 HZ3 LYS 7 -14.431 8.876 -8.586 59 H CYS 8 H CYS 8 -11.259 11.040 -6.019 60 HA CYS 8 HA CYS 8 -11.850 12.110 -3.491 61 HB2 CYS 8 HB2 CYS 8 -10.381 14.099 -3.514 62 HB3 CYS 8 HB3 CYS 8 -9.474 12.600 -3.347 63 HG CYS 8 HG CYS 8 -9.360 14.904 -5.763 64 H SER 9 H SER 9 -12.885 14.238 -3.627 65 HA SER 9 HA SER 9 -13.840 14.821 -6.354 66 HB2 SER 9 HB2 SER 9 -16.002 15.502 -5.281 67 HB3 SER 9 HB3 SER 9 -15.639 13.783 -5.126 68 HG SER 9 HG SER 9 -14.757 15.471 -3.092 69 H HIS 10 H HIS 10 -15.257 17.088 -5.925 70 HA HIS 10 HA HIS 10 -13.885 19.008 -4.327 71 HB2 HIS 10 HB2 HIS 10 -12.925 20.353 -6.133 72 HB3 HIS 10 HB3 HIS 10 -12.206 18.746 -6.104 73 HD1 HIS 10 HD1 HIS 10 -13.716 21.125 -8.347 74 HD2 HIS 10 HD2 HIS 10 -13.448 16.984 -8.153 75 HE1 HIS 10 HE1 HIS 10 -14.248 20.308 -10.664 76 H ILE 11 H ILE 11 -14.942 21.002 -4.264 77 HA ILE 11 HA ILE 11 -17.220 21.417 -6.037 78 HB ILE 11 HB ILE 11 -17.479 21.219 -3.037 79 HG12 ILE 11 HG12 ILE 11 -18.953 19.777 -5.250 80 HG13 ILE 11 HG13 ILE 11 -17.601 19.100 -4.349 81 HG21 ILE 11 HG21 ILE 11 -19.415 22.296 -5.079 82 HG22 ILE 11 HG22 ILE 11 -19.856 21.866 -3.426 83 HG23 ILE 11 HG23 ILE 11 -18.696 23.162 -3.722 84 HD11 ILE 11 HD11 ILE 11 -18.900 19.257 -2.289 85 HD12 ILE 11 HD12 ILE 11 -20.256 19.925 -3.199 86 HD13 ILE 11 HD13 ILE 11 -19.716 18.274 -3.506 87 H LEU 12 H LEU 12 -17.202 23.456 -6.694 88 HA LEU 12 HA LEU 12 -15.769 25.448 -5.090 89 HB2 LEU 12 HB2 LEU 12 -16.327 25.084 -7.972 90 HB3 LEU 12 HB3 LEU 12 -16.277 26.744 -7.380 91 HG LEU 12 HG LEU 12 -14.130 26.107 -8.300 92 HD11 LEU 12 HD11 LEU 12 -14.318 27.577 -6.254 93 HD12 LEU 12 HD12 LEU 12 -12.751 26.814 -6.519 94 HD13 LEU 12 HD13 LEU 12 -13.854 26.164 -5.307 95 HD21 LEU 12 HD21 LEU 12 -13.537 24.146 -6.182 96 HD22 LEU 12 HD22 LEU 12 -13.036 24.182 -7.872 97 HD23 LEU 12 HD23 LEU 12 -14.647 23.606 -7.441 98 H VAL 13 H VAL 13 -16.770 27.137 -4.169 99 HA VAL 13 HA VAL 13 -19.563 27.686 -4.909 100 HB VAL 13 HB VAL 13 -20.149 28.040 -2.566 101 HG11 VAL 13 HG11 VAL 13 -18.879 25.324 -2.760 102 HG12 VAL 13 HG12 VAL 13 -20.376 25.786 -1.949 103 HG13 VAL 13 HG13 VAL 13 -20.297 25.766 -3.711 104 HG21 VAL 13 HG21 VAL 13 -17.860 28.667 -1.819 105 HG22 VAL 13 HG22 VAL 13 -18.658 27.504 -0.760 106 HG23 VAL 13 HG23 VAL 13 -17.415 26.962 -1.889 107 H SER 14 H SER 14 -20.181 29.787 -3.429 108 HA SER 14 HA SER 14 -18.123 31.782 -4.112 109 HB2 SER 14 HB2 SER 14 -20.394 31.825 -5.317 110 HB3 SER 14 HB3 SER 14 -21.059 32.382 -3.782 111 HG SER 14 HG SER 14 -19.726 34.178 -3.889 112 H LYS 15 H LYS 15 -20.050 30.440 -1.604 113 HA LYS 15 HA LYS 15 -18.935 32.405 0.280 114 HB2 LYS 15 HB2 LYS 15 -21.028 32.246 1.602 115 HB3 LYS 15 HB3 LYS 15 -21.272 32.964 0.014 116 HG2 LYS 15 HG2 LYS 15 -21.848 30.478 -0.643 117 HG3 LYS 15 HG3 LYS 15 -22.194 30.350 1.083 118 HD2 LYS 15 HD2 LYS 15 -23.332 32.546 -0.629 119 HD3 LYS 15 HD3 LYS 15 -24.134 30.985 -0.438 120 HE2 LYS 15 HE2 LYS 15 -23.275 32.429 2.014 121 HE3 LYS 15 HE3 LYS 15 -24.674 33.047 1.138 122 HZ1 LYS 15 HZ1 LYS 15 -25.932 31.357 1.823 123 HZ2 LYS 15 HZ2 LYS 15 -24.733 31.070 2.981 124 HZ3 LYS 15 HZ3 LYS 15 -24.733 30.200 1.529 125 H GLN 16 H GLN 16 -18.544 31.617 2.408 126 HA GLN 16 HA GLN 16 -17.537 28.977 2.482 127 HB2 GLN 16 HB2 GLN 16 -17.838 31.196 4.449 128 HB3 GLN 16 HB3 GLN 16 -17.521 29.581 5.068 129 HG2 GLN 16 HG2 GLN 16 -15.637 29.712 3.164 130 HG3 GLN 16 HG3 GLN 16 -15.768 31.420 3.579 131 HE21 GLN 16 HE21 GLN 16 -15.832 28.353 5.371 132 HE22 GLN 16 HE22 GLN 16 -14.656 28.820 6.547 133 H SER 17 H SER 17 -20.568 30.407 3.442 134 HA SER 17 HA SER 17 -21.516 28.421 5.167 135 HB2 SER 17 HB2 SER 17 -22.898 30.388 3.354 136 HB3 SER 17 HB3 SER 17 -23.819 29.233 4.319 137 HG SER 17 HG SER 17 -23.000 30.140 6.169 138 H GLU 18 H GLU 18 -21.038 28.389 1.770 139 HA GLU 18 HA GLU 18 -22.796 26.082 1.398 140 HB2 GLU 18 HB2 GLU 18 -21.197 27.702 -0.592 141 HB3 GLU 18 HB3 GLU 18 -22.231 26.341 -1.009 142 HG2 GLU 18 HG2 GLU 18 -23.326 28.695 0.476 143 HG3 GLU 18 HG3 GLU 18 -23.140 28.732 -1.276 144 H ALA 19 H ALA 19 -19.394 27.007 0.969 145 HA ALA 19 HA ALA 19 -18.475 24.468 0.158 146 HB1 ALA 19 HB1 ALA 19 -16.327 25.673 1.424 147 HB2 ALA 19 HB2 ALA 19 -16.749 25.804 -0.283 148 HB3 ALA 19 HB3 ALA 19 -17.309 27.025 0.859 149 H LEU 20 H LEU 20 -18.376 26.059 3.346 150 HA LEU 20 HA LEU 20 -17.311 23.790 4.686 151 HB2 LEU 20 HB2 LEU 20 -17.403 26.338 5.341 152 HB3 LEU 20 HB3 LEU 20 -18.905 25.855 6.124 153 HG LEU 20 HG LEU 20 -16.460 24.280 6.730 154 HD11 LEU 20 HD11 LEU 20 -15.473 26.391 6.961 155 HD12 LEU 20 HD12 LEU 20 -16.010 25.967 8.588 156 HD13 LEU 20 HD13 LEU 20 -16.947 27.105 7.619 157 HD21 LEU 20 HD21 LEU 20 -17.669 24.669 9.057 158 HD22 LEU 20 HD22 LEU 20 -18.207 23.434 7.919 159 HD23 LEU 20 HD23 LEU 20 -19.047 24.984 8.002 160 H ALA 21 H ALA 21 -20.368 24.447 3.467 161 HA ALA 21 HA ALA 21 -21.930 23.106 5.465 162 HB1 ALA 21 HB1 ALA 21 -23.404 24.397 4.383 163 HB2 ALA 21 HB2 ALA 21 -22.423 24.454 2.917 164 HB3 ALA 21 HB3 ALA 21 -23.479 23.073 3.218 165 H ILE 22 H ILE 22 -19.824 22.049 3.075 166 HA ILE 22 HA ILE 22 -21.192 19.635 2.336 167 HB ILE 22 HB ILE 22 -18.266 20.314 2.025 168 HG12 ILE 22 HG12 ILE 22 -19.664 21.975 0.910 169 HG13 ILE 22 HG13 ILE 22 -18.877 20.948 -0.283 170 HG21 ILE 22 HG21 ILE 22 -18.573 18.652 0.077 171 HG22 ILE 22 HG22 ILE 22 -18.419 18.018 1.713 172 HG23 ILE 22 HG23 ILE 22 -20.007 18.127 0.957 173 HD11 ILE 22 HD11 ILE 22 -21.036 21.140 -1.081 174 HD12 ILE 22 HD12 ILE 22 -21.069 19.597 -0.228 175 HD13 ILE 22 HD13 ILE 22 -21.749 21.037 0.528 176 H MET 23 H MET 23 -19.233 20.630 4.968 177 HA MET 23 HA MET 23 -18.594 17.874 5.713 178 HB2 MET 23 HB2 MET 23 -17.158 18.848 7.422 179 HB3 MET 23 HB3 MET 23 -16.794 19.545 5.850 180 HG2 MET 23 HG2 MET 23 -17.441 21.606 6.462 181 HG3 MET 23 HG3 MET 23 -18.776 21.010 7.446 182 HE1 MET 23 HE1 MET 23 -14.542 22.029 8.577 183 HE2 MET 23 HE2 MET 23 -14.620 20.353 8.037 184 HE3 MET 23 HE3 MET 23 -15.182 21.646 6.978 185 H GLU 24 H GLU 24 -21.050 20.056 6.147 186 HA GLU 24 HA GLU 24 -21.759 18.931 8.777 187 HB2 GLU 24 HB2 GLU 24 -22.902 20.908 9.321 188 HB3 GLU 24 HB3 GLU 24 -21.418 21.458 8.556 189 HG2 GLU 24 HG2 GLU 24 -22.789 21.570 6.400 190 HG3 GLU 24 HG3 GLU 24 -24.200 21.446 7.450 191 H LYS 25 H LYS 25 -22.814 19.551 5.508 192 HA LYS 25 HA LYS 25 -25.537 18.915 5.795 193 HB2 LYS 25 HB2 LYS 25 -24.643 20.023 3.804 194 HB3 LYS 25 HB3 LYS 25 -23.730 18.576 3.393 195 HG2 LYS 25 HG2 LYS 25 -25.690 18.693 2.019 196 HG3 LYS 25 HG3 LYS 25 -25.859 17.346 3.148 197 HD2 LYS 25 HD2 LYS 25 -27.949 18.447 3.133 198 HD3 LYS 25 HD3 LYS 25 -27.159 18.934 4.634 199 HE2 LYS 25 HE2 LYS 25 -27.893 20.968 3.887 200 HE3 LYS 25 HE3 LYS 25 -26.297 20.924 3.141 201 HZ1 LYS 25 HZ1 LYS 25 -27.222 21.040 1.147 202 HZ2 LYS 25 HZ2 LYS 25 -28.739 21.229 1.873 203 HZ3 LYS 25 HZ3 LYS 25 -28.190 19.686 1.449 204 H LEU 26 H LEU 26 -22.873 16.872 4.581 205 HA LEU 26 HA LEU 26 -24.319 14.500 4.387 206 HB2 LEU 26 HB2 LEU 26 -21.411 14.684 5.134 207 HB3 LEU 26 HB3 LEU 26 -22.224 13.370 4.287 208 HG LEU 26 HG LEU 26 -21.600 16.118 3.214 209 HD11 LEU 26 HD11 LEU 26 -19.952 13.994 3.384 210 HD12 LEU 26 HD12 LEU 26 -19.886 15.189 2.089 211 HD13 LEU 26 HD13 LEU 26 -20.735 13.664 1.839 212 HD21 LEU 26 HD21 LEU 26 -23.265 13.885 2.084 213 HD22 LEU 26 HD22 LEU 26 -22.525 15.125 1.071 214 HD23 LEU 26 HD23 LEU 26 -23.705 15.578 2.302 215 H LYS 27 H LYS 27 -23.085 16.140 7.158 216 HA LYS 27 HA LYS 27 -22.771 14.090 8.995 217 HB2 LYS 27 HB2 LYS 27 -22.365 16.622 9.260 218 HB3 LYS 27 HB3 LYS 27 -24.060 16.710 9.722 219 HG2 LYS 27 HG2 LYS 27 -23.111 16.499 11.775 220 HG3 LYS 27 HG3 LYS 27 -23.350 14.793 11.387 221 HD2 LYS 27 HD2 LYS 27 -20.797 16.135 10.609 222 HD3 LYS 27 HD3 LYS 27 -21.040 15.637 12.285 223 HE2 LYS 27 HE2 LYS 27 -21.783 13.379 11.123 224 HE3 LYS 27 HE3 LYS 27 -20.756 13.988 9.826 225 HZ1 LYS 27 HZ1 LYS 27 -19.885 13.678 12.647 226 HZ2 LYS 27 HZ2 LYS 27 -18.914 14.113 11.332 227 HZ3 LYS 27 HZ3 LYS 27 -19.570 12.556 11.420 228 H SER 28 H SER 28 -25.684 15.476 7.679 229 HA SER 28 HA SER 28 -27.414 14.240 9.632 230 HB2 SER 28 HB2 SER 28 -28.162 16.323 8.706 231 HB3 SER 28 HB3 SER 28 -27.967 15.726 7.058 232 HG SER 28 HG SER 28 -30.168 15.724 8.172 233 H GLY 29 H GLY 29 -26.090 13.460 6.521 234 HA2 GLY 29 HA2 GLY 29 -26.051 10.979 6.145 235 HA3 GLY 29 HA3 GLY 29 -27.783 11.039 6.436 236 H GLU 30 H GLU 30 -25.926 13.398 4.591 237 HA GLU 30 HA GLU 30 -27.595 12.781 2.264 238 HB2 GLU 30 HB2 GLU 30 -25.743 15.137 2.488 239 HB3 GLU 30 HB3 GLU 30 -27.179 14.960 1.490 240 HG2 GLU 30 HG2 GLU 30 -27.075 15.315 4.475 241 HG3 GLU 30 HG3 GLU 30 -27.652 16.475 3.280 242 H LYS 31 H LYS 31 -26.060 13.774 0.226 243 HA LYS 31 HA LYS 31 -23.700 12.009 0.218 244 HB2 LYS 31 HB2 LYS 31 -25.830 11.371 -1.186 245 HB3 LYS 31 HB3 LYS 31 -25.218 12.590 -2.296 246 HG2 LYS 31 HG2 LYS 31 -23.660 11.218 -3.084 247 HG3 LYS 31 HG3 LYS 31 -23.140 10.755 -1.462 248 HD2 LYS 31 HD2 LYS 31 -25.729 9.658 -2.370 249 HD3 LYS 31 HD3 LYS 31 -24.291 9.051 -3.193 250 HE2 LYS 31 HE2 LYS 31 -24.453 9.169 -0.199 251 HE3 LYS 31 HE3 LYS 31 -25.112 7.805 -1.102 252 HZ1 LYS 31 HZ1 LYS 31 -23.086 6.956 -1.192 253 HZ2 LYS 31 HZ2 LYS 31 -22.444 8.293 -0.377 254 HZ3 LYS 31 HZ3 LYS 31 -22.543 8.299 -2.066 255 H PHE 32 H PHE 32 -21.862 12.748 -0.812 256 HA PHE 32 HA PHE 32 -21.404 15.510 -0.827 257 HB2 PHE 32 HB2 PHE 32 -19.621 13.822 -0.563 258 HB3 PHE 32 HB3 PHE 32 -19.828 13.353 -2.247 259 HD1 PHE 32 HD1 PHE 32 -19.320 15.033 -4.044 260 HD2 PHE 32 HD2 PHE 32 -18.270 15.642 0.036 261 HE1 PHE 32 HE1 PHE 32 -17.694 16.750 -4.722 262 HE2 PHE 32 HE2 PHE 32 -16.644 17.362 -0.635 263 HZ PHE 32 HZ PHE 32 -16.353 17.917 -3.017 264 H GLY 33 H GLY 33 -22.015 13.254 -3.498 265 HA2 GLY 33 HA2 GLY 33 -21.691 15.089 -5.601 266 HA3 GLY 33 HA3 GLY 33 -22.646 13.615 -5.675 267 H LYS 34 H LYS 34 -24.464 14.377 -3.558 268 HA LYS 34 HA LYS 34 -26.455 15.636 -5.059 269 HB2 LYS 34 HB2 LYS 34 -26.111 15.091 -2.128 270 HB3 LYS 34 HB3 LYS 34 -27.489 16.023 -2.699 271 HG2 LYS 34 HG2 LYS 34 -28.055 14.117 -4.208 272 HG3 LYS 34 HG3 LYS 34 -26.780 13.189 -3.416 273 HD2 LYS 34 HD2 LYS 34 -27.940 13.612 -1.239 274 HD3 LYS 34 HD3 LYS 34 -29.269 14.331 -2.152 275 HE2 LYS 34 HE2 LYS 34 -28.280 11.488 -2.276 276 HE3 LYS 34 HE3 LYS 34 -29.837 12.057 -1.674 277 HZ1 LYS 34 HZ1 LYS 34 -29.865 13.019 -4.161 278 HZ2 LYS 34 HZ2 LYS 34 -30.508 11.515 -3.731 279 HZ3 LYS 34 HZ3 LYS 34 -28.957 11.612 -4.400 280 H LEU 35 H LEU 35 -23.848 16.960 -3.250 281 HA LEU 35 HA LEU 35 -25.056 19.636 -3.320 282 HB2 LEU 35 HB2 LEU 35 -22.471 18.986 -1.965 283 HB3 LEU 35 HB3 LEU 35 -23.612 20.284 -1.619 284 HG LEU 35 HG LEU 35 -24.038 17.359 -1.005 285 HD11 LEU 35 HD11 LEU 35 -23.877 18.155 1.354 286 HD12 LEU 35 HD12 LEU 35 -23.297 19.702 0.737 287 HD13 LEU 35 HD13 LEU 35 -22.363 18.233 0.453 288 HD21 LEU 35 HD21 LEU 35 -26.096 18.667 -1.531 289 HD22 LEU 35 HD22 LEU 35 -25.694 19.742 -0.193 290 HD23 LEU 35 HD23 LEU 35 -26.037 18.040 0.117 291 H ALA 36 H ALA 36 -22.580 17.668 -4.695 292 HA ALA 36 HA ALA 36 -20.971 19.818 -5.702 293 HB1 ALA 36 HB1 ALA 36 -19.651 18.176 -6.724 294 HB2 ALA 36 HB2 ALA 36 -20.226 17.420 -5.237 295 HB3 ALA 36 HB3 ALA 36 -20.979 17.017 -6.781 296 H LYS 37 H LYS 37 -23.852 18.241 -6.703 297 HA LYS 37 HA LYS 37 -23.583 19.057 -9.482 298 HB2 LYS 37 HB2 LYS 37 -25.753 17.959 -9.796 299 HB3 LYS 37 HB3 LYS 37 -24.609 16.892 -8.992 300 HG2 LYS 37 HG2 LYS 37 -25.662 17.478 -6.826 301 HG3 LYS 37 HG3 LYS 37 -26.866 18.419 -7.710 302 HD2 LYS 37 HD2 LYS 37 -26.351 15.466 -8.064 303 HD3 LYS 37 HD3 LYS 37 -27.676 16.167 -7.133 304 HE2 LYS 37 HE2 LYS 37 -28.343 17.365 -9.269 305 HE3 LYS 37 HE3 LYS 37 -27.202 16.310 -10.100 306 HZ1 LYS 37 HZ1 LYS 37 -29.318 15.197 -8.369 307 HZ2 LYS 37 HZ2 LYS 37 -28.459 14.438 -9.612 308 HZ3 LYS 37 HZ3 LYS 37 -29.636 15.597 -9.982 309 H GLU 38 H GLU 38 -24.078 20.785 -6.883 310 HA GLU 38 HA GLU 38 -25.909 22.621 -8.241 311 HB2 GLU 38 HB2 GLU 38 -26.165 22.068 -5.288 312 HB3 GLU 38 HB3 GLU 38 -27.249 23.000 -6.313 313 HG2 GLU 38 HG2 GLU 38 -27.387 20.628 -7.555 314 HG3 GLU 38 HG3 GLU 38 -27.052 20.088 -5.911 315 H LEU 39 H LEU 39 -24.003 22.297 -5.240 316 HA LEU 39 HA LEU 39 -23.417 25.035 -4.993 317 HB2 LEU 39 HB2 LEU 39 -21.906 22.638 -3.961 318 HB3 LEU 39 HB3 LEU 39 -21.635 24.302 -3.447 319 HG LEU 39 HG LEU 39 -24.083 22.612 -2.958 320 HD11 LEU 39 HD11 LEU 39 -23.142 22.135 -1.011 321 HD12 LEU 39 HD12 LEU 39 -22.943 23.850 -0.653 322 HD13 LEU 39 HD13 LEU 39 -21.683 22.979 -1.527 323 HD21 LEU 39 HD21 LEU 39 -24.964 24.745 -3.360 324 HD22 LEU 39 HD22 LEU 39 -23.608 25.552 -2.572 325 HD23 LEU 39 HD23 LEU 39 -24.787 24.661 -1.608 326 H SER 40 H SER 40 -21.467 22.360 -6.301 327 HA SER 40 HA SER 40 -19.176 23.742 -6.962 328 HB2 SER 40 HB2 SER 40 -20.016 21.189 -7.323 329 HB3 SER 40 HB3 SER 40 -20.073 21.778 -8.984 330 HG SER 40 HG SER 40 -17.984 20.890 -7.880 331 H ILE 41 H ILE 41 -19.238 25.704 -7.892 332 HA ILE 41 HA ILE 41 -21.096 26.401 -9.952 333 HB ILE 41 HB ILE 41 -19.760 28.498 -10.126 334 HG12 ILE 41 HG12 ILE 41 -18.226 27.789 -7.690 335 HG13 ILE 41 HG13 ILE 41 -17.679 27.059 -9.196 336 HG21 ILE 41 HG21 ILE 41 -20.198 29.188 -7.692 337 HG22 ILE 41 HG22 ILE 41 -21.564 28.621 -8.652 338 HG23 ILE 41 HG23 ILE 41 -20.801 27.545 -7.481 339 HD11 ILE 41 HD11 ILE 41 -17.456 29.806 -8.250 340 HD12 ILE 41 HD12 ILE 41 -16.493 28.928 -9.438 341 HD13 ILE 41 HD13 ILE 41 -18.021 29.667 -9.915 342 H ASP 42 H ASP 42 -17.983 24.955 -9.882 343 HA ASP 42 HA ASP 42 -16.986 25.738 -12.390 344 HB2 ASP 42 HB2 ASP 42 -15.548 24.659 -10.770 345 HB3 ASP 42 HB3 ASP 42 -16.535 23.201 -10.808 346 H SER 43 H SER 43 -18.068 25.526 -14.236 347 HA SER 43 HA SER 43 -20.182 23.843 -14.781 348 HB2 SER 43 HB2 SER 43 -19.429 25.799 -16.172 349 HB3 SER 43 HB3 SER 43 -18.162 24.767 -16.835 350 HG SER 43 HG SER 43 -20.071 24.828 -18.136 351 H GLY 44 H GLY 44 -16.740 23.209 -15.021 352 HA2 GLY 44 HA2 GLY 44 -17.210 20.600 -16.243 353 HA3 GLY 44 HA3 GLY 44 -15.646 21.335 -15.929 354 H SER 45 H SER 45 -18.396 20.692 -13.770 355 HA SER 45 HA SER 45 -17.036 18.547 -12.433 356 HB2 SER 45 HB2 SER 45 -16.544 19.571 -10.371 357 HB3 SER 45 HB3 SER 45 -15.982 20.739 -11.568 358 HG SER 45 HG SER 45 -17.328 21.547 -9.761 359 H ALA 46 H ALA 46 -19.583 21.002 -12.219 360 HA ALA 46 HA ALA 46 -21.289 19.665 -10.459 361 HB1 ALA 46 HB1 ALA 46 -22.683 21.386 -10.810 362 HB2 ALA 46 HB2 ALA 46 -21.345 22.065 -11.737 363 HB3 ALA 46 HB3 ALA 46 -22.637 21.195 -12.563 364 H LYS 47 H LYS 47 -20.499 18.980 -13.717 365 HA LYS 47 HA LYS 47 -22.917 17.494 -14.280 366 HB2 LYS 47 HB2 LYS 47 -20.374 18.046 -15.772 367 HB3 LYS 47 HB3 LYS 47 -21.458 16.774 -16.320 368 HG2 LYS 47 HG2 LYS 47 -23.139 18.262 -16.870 369 HG3 LYS 47 HG3 LYS 47 -22.510 19.524 -15.808 370 HD2 LYS 47 HD2 LYS 47 -20.586 19.808 -17.309 371 HD3 LYS 47 HD3 LYS 47 -21.244 18.566 -18.377 372 HE2 LYS 47 HE2 LYS 47 -21.734 20.849 -19.164 373 HE3 LYS 47 HE3 LYS 47 -23.195 19.927 -18.813 374 HZ1 LYS 47 HZ1 LYS 47 -23.010 22.337 -17.979 375 HZ2 LYS 47 HZ2 LYS 47 -22.024 21.692 -16.765 376 HZ3 LYS 47 HZ3 LYS 47 -23.622 21.162 -16.926 377 H LYS 48 H LYS 48 -19.830 16.902 -12.893 378 HA LYS 48 HA LYS 48 -20.341 13.999 -12.978 379 HB2 LYS 48 HB2 LYS 48 -17.803 13.873 -12.502 380 HB3 LYS 48 HB3 LYS 48 -18.333 14.252 -14.136 381 HG2 LYS 48 HG2 LYS 48 -17.807 16.512 -12.286 382 HG3 LYS 48 HG3 LYS 48 -16.427 15.622 -12.932 383 HD2 LYS 48 HD2 LYS 48 -18.568 16.499 -14.809 384 HD3 LYS 48 HD3 LYS 48 -17.431 17.705 -14.202 385 HE2 LYS 48 HE2 LYS 48 -16.485 15.111 -15.377 386 HE3 LYS 48 HE3 LYS 48 -16.867 16.495 -16.399 387 HZ1 LYS 48 HZ1 LYS 48 -14.715 16.976 -16.033 388 HZ2 LYS 48 HZ2 LYS 48 -14.628 16.084 -14.599 389 HZ3 LYS 48 HZ3 LYS 48 -15.293 17.639 -14.587 390 H ASN 49 H ASN 49 -21.240 16.104 -11.048 391 HA ASN 49 HA ASN 49 -21.449 16.424 -8.803 392 HB2 ASN 49 HB2 ASN 49 -20.694 13.495 -8.841 393 HB3 ASN 49 HB3 ASN 49 -21.292 14.339 -7.415 394 HD21 ASN 49 HD21 ASN 49 -23.419 15.363 -7.610 395 HD22 ASN 49 HD22 ASN 49 -24.619 14.588 -8.583 396 H GLY 50 H GLY 50 -18.877 17.049 -9.974 397 HA2 GLY 50 HA2 GLY 50 -16.790 17.715 -9.290 398 HA3 GLY 50 HA3 GLY 50 -17.409 17.599 -7.649 399 H ASN 51 H ASN 51 -17.579 14.728 -9.503 400 HA ASN 51 HA ASN 51 -15.532 13.523 -7.818 401 HB2 ASN 51 HB2 ASN 51 -17.961 12.606 -8.567 402 HB3 ASN 51 HB3 ASN 51 -16.962 11.869 -9.816 403 HD21 ASN 51 HD21 ASN 51 -16.586 12.497 -6.341 404 HD22 ASN 51 HD22 ASN 51 -16.147 10.878 -5.925 405 H LEU 52 H LEU 52 -13.607 14.254 -8.700 406 HA LEU 52 HA LEU 52 -13.063 13.935 -11.517 407 HB2 LEU 52 HB2 LEU 52 -10.811 14.760 -10.920 408 HB3 LEU 52 HB3 LEU 52 -12.113 15.830 -10.407 409 HG LEU 52 HG LEU 52 -11.823 14.573 -8.120 410 HD11 LEU 52 HD11 LEU 52 -10.111 13.180 -7.960 411 HD12 LEU 52 HD12 LEU 52 -9.002 14.474 -8.410 412 HD13 LEU 52 HD13 LEU 52 -9.720 13.455 -9.658 413 HD21 LEU 52 HD21 LEU 52 -10.901 16.490 -7.399 414 HD22 LEU 52 HD22 LEU 52 -11.132 17.018 -9.066 415 HD23 LEU 52 HD23 LEU 52 -9.563 16.400 -8.546 416 H GLY 53 H GLY 53 -13.278 11.774 -9.106 417 HA2 GLY 53 HA2 GLY 53 -12.552 9.609 -8.864 418 HA3 GLY 53 HA3 GLY 53 -11.935 9.727 -10.506 419 H TYR 54 H TYR 54 -9.929 8.930 -10.415 420 HA TYR 54 HA TYR 54 -8.210 9.470 -8.148 421 HB2 TYR 54 HB2 TYR 54 -8.196 7.630 -10.454 422 HB3 TYR 54 HB3 TYR 54 -6.609 8.194 -9.942 423 HD1 TYR 54 HD1 TYR 54 -9.587 7.508 -7.822 424 HD2 TYR 54 HD2 TYR 54 -5.672 6.286 -8.957 425 HE1 TYR 54 HE1 TYR 54 -9.587 5.846 -6.010 426 HE2 TYR 54 HE2 TYR 54 -5.662 4.618 -7.149 427 HH TYR 54 HH TYR 54 -7.595 4.649 -4.610 428 H PHE 55 H PHE 55 -6.444 10.778 -8.112 429 HA PHE 55 HA PHE 55 -5.677 12.174 -10.569 430 HB2 PHE 55 HB2 PHE 55 -6.013 14.306 -9.750 431 HB3 PHE 55 HB3 PHE 55 -7.367 13.460 -9.009 432 HD1 PHE 55 HD2 PHE 55 -6.330 12.139 -6.729 433 HD2 PHE 55 HD1 PHE 55 -5.204 15.915 -8.338 434 HE1 PHE 55 HE2 PHE 55 -5.558 12.852 -4.505 435 HE2 PHE 55 HE1 PHE 55 -4.429 16.635 -6.117 436 HZ PHE 55 HZ PHE 55 -4.607 15.103 -4.196 437 H THR 56 H THR 56 -3.737 13.754 -9.874 438 HA THR 56 HA THR 56 -1.987 12.471 -7.930 439 HB THR 56 HB THR 56 -0.154 12.137 -9.450 440 HG1 THR 56 HG1 THR 56 -0.321 13.667 -10.995 441 HG21 THR 56 HG21 THR 56 -1.713 10.282 -9.303 442 HG22 THR 56 HG22 THR 56 -1.083 10.402 -10.945 443 HG23 THR 56 HG23 THR 56 -2.707 10.983 -10.579 444 H LYS 57 H LYS 57 0.246 13.692 -8.016 445 HA LYS 57 HA LYS 57 -0.362 16.455 -7.525 446 HB2 LYS 57 HB2 LYS 57 2.378 15.194 -7.562 447 HB3 LYS 57 HB3 LYS 57 1.867 16.636 -6.694 448 HG2 LYS 57 HG2 LYS 57 0.202 14.885 -5.577 449 HG3 LYS 57 HG3 LYS 57 1.509 13.780 -6.014 450 HD2 LYS 57 HD2 LYS 57 1.812 16.308 -4.391 451 HD3 LYS 57 HD3 LYS 57 1.779 14.667 -3.741 452 HE2 LYS 57 HE2 LYS 57 3.729 14.320 -5.492 453 HE3 LYS 57 HE3 LYS 57 3.900 16.063 -5.293 454 HZ1 LYS 57 HZ1 LYS 57 5.035 14.218 -3.700 455 HZ2 LYS 57 HZ2 LYS 57 3.646 14.607 -2.817 456 HZ3 LYS 57 HZ3 LYS 57 4.740 15.822 -3.251 457 H GLY 58 H GLY 58 -0.624 17.795 -9.198 458 HA2 GLY 58 HA2 GLY 58 0.830 19.142 -10.736 459 HA3 GLY 58 HA3 GLY 58 1.301 17.599 -11.432 460 H MET 59 H MET 59 -1.917 17.481 -10.557 461 HA MET 59 HA MET 59 -2.742 18.132 -13.308 462 HB2 MET 59 HB2 MET 59 -3.966 16.154 -11.376 463 HB3 MET 59 HB3 MET 59 -4.564 16.499 -12.993 464 HG2 MET 59 HG2 MET 59 -1.745 15.610 -12.655 465 HG3 MET 59 HG3 MET 59 -3.045 14.426 -12.532 466 HE1 MET 59 HE1 MET 59 -4.113 13.716 -16.000 467 HE2 MET 59 HE2 MET 59 -3.778 13.130 -14.372 468 HE3 MET 59 HE3 MET 59 -5.025 14.351 -14.632 469 H MET 60 H MET 60 -2.793 19.394 -10.328 470 HA MET 60 HA MET 60 -5.322 20.794 -10.836 471 HB2 MET 60 HB2 MET 60 -4.443 19.856 -8.101 472 HB3 MET 60 HB3 MET 60 -5.928 20.714 -8.490 473 HG2 MET 60 HG2 MET 60 -5.324 18.065 -9.736 474 HG3 MET 60 HG3 MET 60 -6.007 18.170 -8.116 475 HE1 MET 60 HE1 MET 60 -7.448 16.495 -9.832 476 HE2 MET 60 HE2 MET 60 -8.870 17.102 -10.680 477 HE3 MET 60 HE3 MET 60 -7.282 17.196 -11.442 478 H VAL 61 H VAL 61 -5.324 22.538 -8.744 479 HA VAL 61 HA VAL 61 -2.998 24.196 -9.371 480 HB VAL 61 HB VAL 61 -4.245 26.065 -8.514 481 HG11 VAL 61 HG11 VAL 61 -4.943 24.629 -10.743 482 HG12 VAL 61 HG12 VAL 61 -6.493 24.860 -9.932 483 HG13 VAL 61 HG13 VAL 61 -5.500 26.257 -10.355 484 HG21 VAL 61 HG21 VAL 61 -6.467 25.836 -7.546 485 HG22 VAL 61 HG22 VAL 61 -6.374 24.082 -7.707 486 HG23 VAL 61 HG23 VAL 61 -5.286 24.926 -6.604 487 H LYS 62 H LYS 62 -2.068 25.520 -7.602 488 HA LYS 62 HA LYS 62 -0.984 23.966 -5.585 489 HB2 LYS 62 HB2 LYS 62 0.248 25.867 -5.876 490 HB3 LYS 62 HB3 LYS 62 -1.169 26.877 -6.127 491 HG2 LYS 62 HG2 LYS 62 -1.560 27.082 -3.814 492 HG3 LYS 62 HG3 LYS 62 -0.441 25.771 -3.432 493 HD2 LYS 62 HD2 LYS 62 0.774 27.689 -2.909 494 HD3 LYS 62 HD3 LYS 62 1.348 27.272 -4.525 495 HE2 LYS 62 HE2 LYS 62 -0.212 28.907 -5.485 496 HE3 LYS 62 HE3 LYS 62 -0.753 29.334 -3.862 497 HZ1 LYS 62 HZ1 LYS 62 1.236 30.358 -3.373 498 HZ2 LYS 62 HZ2 LYS 62 1.040 30.762 -5.004 499 HZ3 LYS 62 HZ3 LYS 62 2.101 29.521 -4.561 500 HA PRO 63 HA PRO 63 -4.156 25.840 -2.463 501 HB2 PRO 63 HB2 PRO 63 -6.237 27.248 -3.491 502 HB3 PRO 63 HB3 PRO 63 -4.698 27.996 -3.047 503 HG2 PRO 63 HG2 PRO 63 -5.688 27.153 -5.745 504 HG3 PRO 63 HG3 PRO 63 -4.832 28.635 -5.280 505 HD2 PRO 63 HD2 PRO 63 -3.585 26.541 -6.460 506 HD3 PRO 63 HD3 PRO 63 -2.773 27.598 -5.286 507 H PHE 64 H PHE 64 -4.230 23.410 -3.850 508 HA PHE 64 HA PHE 64 -6.855 22.512 -3.197 509 HB2 PHE 64 HB2 PHE 64 -7.413 23.424 -5.373 510 HB3 PHE 64 HB3 PHE 64 -6.062 22.573 -6.115 511 HD1 PHE 64 HD2 PHE 64 -6.131 20.116 -6.349 512 HD2 PHE 64 HD1 PHE 64 -9.479 22.342 -4.954 513 HE1 PHE 64 HE2 PHE 64 -7.596 18.196 -6.815 514 HE2 PHE 64 HE1 PHE 64 -10.950 20.425 -5.417 515 HZ PHE 64 HZ PHE 64 -10.010 18.349 -6.350 516 H GLU 65 H GLU 65 -4.232 21.570 -5.429 517 HA GLU 65 HA GLU 65 -4.300 18.847 -4.988 518 HB2 GLU 65 HB2 GLU 65 -2.941 19.977 -6.728 519 HB3 GLU 65 HB3 GLU 65 -1.825 20.512 -5.480 520 HG2 GLU 65 HG2 GLU 65 -1.740 17.922 -4.958 521 HG3 GLU 65 HG3 GLU 65 -2.213 17.819 -6.652 522 H ASP 66 H ASP 66 -2.404 21.288 -3.236 523 HA ASP 66 HA ASP 66 -1.035 19.607 -1.505 524 HB2 ASP 66 HB2 ASP 66 -0.680 22.078 -1.776 525 HB3 ASP 66 HB3 ASP 66 -2.117 22.338 -0.790 526 H ALA 67 H ALA 67 -4.319 20.850 -1.309 527 HA ALA 67 HA ALA 67 -4.725 19.327 1.176 528 HB1 ALA 67 HB1 ALA 67 -6.831 20.712 1.354 529 HB2 ALA 67 HB2 ALA 67 -5.312 21.590 1.527 530 HB3 ALA 67 HB3 ALA 67 -6.209 21.670 0.011 531 H ALA 68 H ALA 68 -4.619 18.034 -1.374 532 HA ALA 68 HA ALA 68 -7.429 17.219 -1.725 533 HB1 ALA 68 HB1 ALA 68 -6.669 16.356 -3.956 534 HB2 ALA 68 HB2 ALA 68 -6.609 18.110 -3.771 535 HB3 ALA 68 HB3 ALA 68 -5.127 17.160 -3.664 536 H PHE 69 H PHE 69 -4.230 16.186 -0.914 537 HA PHE 69 HA PHE 69 -5.212 13.420 -0.650 538 HB2 PHE 69 HB2 PHE 69 -2.708 12.827 -0.846 539 HB3 PHE 69 HB3 PHE 69 -3.570 13.268 -2.316 540 HD1 PHE 69 HD2 PHE 69 -1.744 15.034 0.423 541 HD2 PHE 69 HD1 PHE 69 -2.411 14.608 -3.759 542 HE1 PHE 69 HE2 PHE 69 -0.080 16.791 -0.019 543 HE2 PHE 69 HE1 PHE 69 -0.747 16.364 -4.208 544 HZ PHE 69 HZ PHE 69 0.421 17.459 -2.335 545 H LYS 70 H LYS 70 -4.455 16.099 1.037 546 HA LYS 70 HA LYS 70 -2.878 14.963 3.152 547 HB2 LYS 70 HB2 LYS 70 -3.039 17.074 4.209 548 HB3 LYS 70 HB3 LYS 70 -2.932 17.413 2.487 549 HG2 LYS 70 HG2 LYS 70 -5.311 17.805 2.374 550 HG3 LYS 70 HG3 LYS 70 -5.492 17.353 4.072 551 HD2 LYS 70 HD2 LYS 70 -4.015 19.242 4.688 552 HD3 LYS 70 HD3 LYS 70 -3.958 19.716 2.989 553 HE2 LYS 70 HE2 LYS 70 -5.659 21.061 3.675 554 HE3 LYS 70 HE3 LYS 70 -6.595 19.622 3.270 555 HZ1 LYS 70 HZ1 LYS 70 -7.337 19.643 5.342 556 HZ2 LYS 70 HZ2 LYS 70 -6.292 20.900 5.779 557 HZ3 LYS 70 HZ3 LYS 70 -5.775 19.292 5.885 558 H LEU 71 H LEU 71 -6.123 14.789 2.291 559 HA LEU 71 HA LEU 71 -7.157 14.562 4.989 560 HB2 LEU 71 HB2 LEU 71 -8.675 13.750 2.550 561 HB3 LEU 71 HB3 LEU 71 -9.269 14.455 4.051 562 HG LEU 71 HG LEU 71 -7.627 16.005 2.060 563 HD11 LEU 71 HD11 LEU 71 -10.499 16.544 2.175 564 HD12 LEU 71 HD12 LEU 71 -10.084 14.978 1.481 565 HD13 LEU 71 HD13 LEU 71 -9.412 16.453 0.790 566 HD21 LEU 71 HD21 LEU 71 -8.384 17.920 3.229 567 HD22 LEU 71 HD22 LEU 71 -7.831 16.777 4.453 568 HD23 LEU 71 HD23 LEU 71 -9.557 16.981 4.153 569 H GLN 72 H GLN 72 -8.825 12.540 5.092 570 HA GLN 72 HA GLN 72 -7.201 10.150 4.516 571 HB2 GLN 72 HB2 GLN 72 -7.874 9.179 6.576 572 HB3 GLN 72 HB3 GLN 72 -7.364 10.821 6.948 573 HG2 GLN 72 HG2 GLN 72 -9.665 11.546 7.066 574 HG3 GLN 72 HG3 GLN 72 -10.220 9.943 6.589 575 HE21 GLN 72 HE21 GLN 72 -9.083 8.186 8.057 576 HE22 GLN 72 HE22 GLN 72 -9.255 8.479 9.751 577 H VAL 73 H VAL 73 -8.560 8.100 4.552 578 HA VAL 73 HA VAL 73 -10.395 8.107 2.495 579 HB VAL 73 HB VAL 73 -10.262 6.144 4.788 580 HG11 VAL 73 HG11 VAL 73 -11.182 4.592 2.961 581 HG12 VAL 73 HG12 VAL 73 -12.302 5.713 3.738 582 HG13 VAL 73 HG13 VAL 73 -11.659 6.076 2.136 583 HG21 VAL 73 HG21 VAL 73 -8.734 6.439 2.239 584 HG22 VAL 73 HG22 VAL 73 -8.151 6.047 3.856 585 HG23 VAL 73 HG23 VAL 73 -9.014 4.833 2.912 586 H GLY 74 H GLY 74 -12.256 9.180 2.385 587 HA2 GLY 74 HA2 GLY 74 -14.461 9.684 2.875 588 HA3 GLY 74 HA3 GLY 74 -14.334 8.674 4.308 589 H GLU 75 H GLU 75 -12.445 11.526 3.357 590 HA GLU 75 HA GLU 75 -13.536 12.935 5.698 591 HB2 GLU 75 HB2 GLU 75 -10.999 11.916 5.629 592 HB3 GLU 75 HB3 GLU 75 -10.737 13.552 5.037 593 HG2 GLU 75 HG2 GLU 75 -12.227 14.165 7.128 594 HG3 GLU 75 HG3 GLU 75 -11.622 12.615 7.709 595 H VAL 76 H VAL 76 -13.609 15.207 5.548 596 HA VAL 76 HA VAL 76 -13.505 16.203 2.782 597 HB VAL 76 HB VAL 76 -15.048 17.286 5.144 598 HG11 VAL 76 HG11 VAL 76 -16.124 18.379 2.872 599 HG12 VAL 76 HG12 VAL 76 -15.012 19.193 3.974 600 HG13 VAL 76 HG13 VAL 76 -14.395 18.396 2.525 601 HG21 VAL 76 HG21 VAL 76 -15.619 15.095 3.542 602 HG22 VAL 76 HG22 VAL 76 -16.757 15.980 4.559 603 HG23 VAL 76 HG23 VAL 76 -16.585 16.401 2.854 604 H SER 77 H SER 77 -12.369 18.016 2.257 605 HA SER 77 HA SER 77 -10.323 18.844 4.119 606 HB2 SER 77 HB2 SER 77 -9.202 19.700 2.297 607 HB3 SER 77 HB3 SER 77 -10.209 18.501 1.487 608 HG SER 77 HG SER 77 -11.755 20.314 1.242 609 H GLU 78 H GLU 78 -9.902 21.480 3.452 610 HA GLU 78 HA GLU 78 -12.208 22.765 4.741 611 HB2 GLU 78 HB2 GLU 78 -10.392 24.641 5.041 612 HB3 GLU 78 HB3 GLU 78 -10.419 23.244 6.108 613 HG2 GLU 78 HG2 GLU 78 -8.672 22.185 4.774 614 HG3 GLU 78 HG3 GLU 78 -8.646 23.580 3.698 615 HA PRO 79 HA PRO 79 -13.150 25.290 1.281 616 HB2 PRO 79 HB2 PRO 79 -13.678 27.697 2.422 617 HB3 PRO 79 HB3 PRO 79 -14.757 26.305 2.572 618 HG2 PRO 79 HG2 PRO 79 -12.729 27.347 4.512 619 HG3 PRO 79 HG3 PRO 79 -14.377 26.767 4.820 620 HD2 PRO 79 HD2 PRO 79 -12.187 25.237 5.264 621 HD3 PRO 79 HD3 PRO 79 -13.743 24.551 4.756 622 H ILE 80 H ILE 80 -10.940 25.174 0.435 623 HA ILE 80 HA ILE 80 -9.055 27.236 1.068 624 HB ILE 80 HB ILE 80 -9.053 25.443 -1.359 625 HG12 ILE 80 HG12 ILE 80 -9.233 24.168 0.783 626 HG13 ILE 80 HG13 ILE 80 -7.734 23.868 -0.090 627 HG21 ILE 80 HG21 ILE 80 -6.507 25.791 -0.932 628 HG22 ILE 80 HG22 ILE 80 -7.439 27.040 -1.755 629 HG23 ILE 80 HG23 ILE 80 -7.043 27.218 -0.046 630 HD11 ILE 80 HD11 ILE 80 -6.565 25.404 1.408 631 HD12 ILE 80 HD12 ILE 80 -8.068 25.682 2.289 632 HD13 ILE 80 HD13 ILE 80 -7.328 24.080 2.286 633 H LYS 81 H LYS 81 -9.440 29.283 0.534 634 HA LYS 81 HA LYS 81 -11.104 30.025 -1.676 635 HB2 LYS 81 HB2 LYS 81 -11.025 31.369 0.373 636 HB3 LYS 81 HB3 LYS 81 -9.324 31.712 0.094 637 HG2 LYS 81 HG2 LYS 81 -9.894 33.497 -1.075 638 HG3 LYS 81 HG3 LYS 81 -10.711 32.460 -2.246 639 HD2 LYS 81 HD2 LYS 81 -12.466 33.779 -1.617 640 HD3 LYS 81 HD3 LYS 81 -12.616 32.500 -0.410 641 HE2 LYS 81 HE2 LYS 81 -11.200 35.136 -0.021 642 HE3 LYS 81 HE3 LYS 81 -12.804 34.730 0.591 643 HZ1 LYS 81 HZ1 LYS 81 -11.510 34.278 2.401 644 HZ2 LYS 81 HZ2 LYS 81 -10.177 33.779 1.487 645 HZ3 LYS 81 HZ3 LYS 81 -11.512 32.755 1.666 646 H SER 82 H SER 82 -10.445 29.932 -3.714 647 HA SER 82 HA SER 82 -7.721 30.841 -4.349 648 HB2 SER 82 HB2 SER 82 -8.941 28.700 -6.031 649 HB3 SER 82 HB3 SER 82 -7.244 29.014 -5.667 650 HG SER 82 HG SER 82 -7.999 27.140 -4.606 651 H GLU 83 H GLU 83 -7.776 30.733 -7.054 652 HA GLU 83 HA GLU 83 -9.165 33.047 -7.773 653 HB2 GLU 83 HB2 GLU 83 -8.567 32.472 -10.093 654 HB3 GLU 83 HB3 GLU 83 -7.205 32.295 -8.996 655 HG2 GLU 83 HG2 GLU 83 -7.286 29.965 -9.081 656 HG3 GLU 83 HG3 GLU 83 -8.923 29.957 -9.736 657 H PHE 84 H PHE 84 -10.170 29.744 -7.689 658 HA PHE 84 HA PHE 84 -12.550 30.305 -9.293 659 HB2 PHE 84 HB2 PHE 84 -11.785 27.664 -8.049 660 HB3 PHE 84 HB3 PHE 84 -12.909 27.950 -9.373 661 HD1 PHE 84 HD1 PHE 84 -11.602 29.501 -11.295 662 HD2 PHE 84 HD2 PHE 84 -9.905 26.561 -8.728 663 HE1 PHE 84 HE1 PHE 84 -9.784 29.142 -12.914 664 HE2 PHE 84 HE2 PHE 84 -8.083 26.198 -10.341 665 HZ PHE 84 HZ PHE 84 -8.022 27.488 -12.438 666 H GLY 85 H GLY 85 -11.527 30.019 -6.032 667 HA2 GLY 85 HA2 GLY 85 -13.176 31.050 -4.457 668 HA3 GLY 85 HA3 GLY 85 -14.348 29.940 -5.151 669 H TYR 86 H TYR 86 -14.763 29.102 -3.057 670 HA TYR 86 HA TYR 86 -12.669 27.886 -1.522 671 HB2 TYR 86 HB2 TYR 86 -15.679 27.727 -1.290 672 HB3 TYR 86 HB3 TYR 86 -14.560 27.015 -0.135 673 HD1 TYR 86 HD2 TYR 86 -12.632 28.852 0.571 674 HD2 TYR 86 HD1 TYR 86 -16.637 29.696 -0.590 675 HE1 TYR 86 HE2 TYR 86 -12.532 30.983 1.795 676 HE2 TYR 86 HE1 TYR 86 -16.548 31.829 0.630 677 HH TYR 86 HH TYR 86 -13.624 32.819 2.390 678 H HIS 87 H HIS 87 -11.817 25.942 -1.809 679 HA HIS 87 HA HIS 87 -13.181 24.050 -3.585 680 HB2 HIS 87 HB2 HIS 87 -10.309 24.304 -2.697 681 HB3 HIS 87 HB3 HIS 87 -10.911 22.893 -3.561 682 HD1 HIS 87 HD1 HIS 87 -11.325 23.130 -6.066 683 HD2 HIS 87 HD2 HIS 87 -10.170 26.677 -4.238 684 HE1 HIS 87 HE1 HIS 87 -10.814 24.720 -7.947 685 H ILE 88 H ILE 88 -14.169 22.329 -2.773 686 HA ILE 88 HA ILE 88 -13.491 21.490 -0.032 687 HB ILE 88 HB ILE 88 -16.090 21.095 -1.521 688 HG12 ILE 88 HG12 ILE 88 -15.773 23.426 -0.891 689 HG13 ILE 88 HG13 ILE 88 -17.000 22.693 0.135 690 HG21 ILE 88 HG21 ILE 88 -14.977 19.813 0.799 691 HG22 ILE 88 HG22 ILE 88 -16.441 20.699 1.226 692 HG23 ILE 88 HG23 ILE 88 -16.488 19.480 -0.049 693 HD11 ILE 88 HD11 ILE 88 -15.840 23.709 1.764 694 HD12 ILE 88 HD12 ILE 88 -14.816 22.278 1.643 695 HD13 ILE 88 HD13 ILE 88 -14.352 23.765 0.817 696 H ILE 89 H ILE 89 -11.800 20.113 -0.751 697 HA ILE 89 HA ILE 89 -12.380 17.959 -2.581 698 HB ILE 89 HB ILE 89 -9.956 18.202 -0.806 699 HG12 ILE 89 HG12 ILE 89 -9.251 19.098 -3.343 700 HG13 ILE 89 HG13 ILE 89 -10.802 19.871 -3.039 701 HG21 ILE 89 HG21 ILE 89 -9.234 16.388 -1.861 702 HG22 ILE 89 HG22 ILE 89 -10.808 16.261 -2.645 703 HG23 ILE 89 HG23 ILE 89 -9.500 17.145 -3.430 704 HD11 ILE 89 HD11 ILE 89 -9.546 20.320 -0.691 705 HD12 ILE 89 HD12 ILE 89 -8.184 20.338 -1.813 706 HD13 ILE 89 HD13 ILE 89 -9.542 21.435 -2.056 707 H LYS 90 H LYS 90 -12.820 15.868 -2.107 708 HA LYS 90 HA LYS 90 -12.730 14.995 0.686 709 HB2 LYS 90 HB2 LYS 90 -15.016 15.785 0.309 710 HB3 LYS 90 HB3 LYS 90 -15.157 14.743 -1.100 711 HG2 LYS 90 HG2 LYS 90 -14.750 12.795 0.453 712 HG3 LYS 90 HG3 LYS 90 -14.956 13.934 1.787 713 HD2 LYS 90 HD2 LYS 90 -17.197 14.388 1.175 714 HD3 LYS 90 HD3 LYS 90 -17.007 13.593 -0.390 715 HE2 LYS 90 HE2 LYS 90 -16.471 11.491 1.043 716 HE3 LYS 90 HE3 LYS 90 -17.277 12.383 2.333 717 HZ1 LYS 90 HZ1 LYS 90 -18.475 11.756 -0.312 718 HZ2 LYS 90 HZ2 LYS 90 -19.245 12.547 0.969 719 HZ3 LYS 90 HZ3 LYS 90 -18.797 10.924 1.125 720 H ARG 91 H ARG 91 -11.659 13.143 0.794 721 HA ARG 91 HA ARG 91 -10.943 11.646 -1.500 722 HB2 ARG 91 HB2 ARG 91 -9.640 11.819 0.662 723 HB3 ARG 91 HB3 ARG 91 -10.805 10.704 1.363 724 HG2 ARG 91 HG2 ARG 91 -10.173 8.986 -0.204 725 HG3 ARG 91 HG3 ARG 91 -9.093 10.105 -1.040 726 HD2 ARG 91 HD2 ARG 91 -8.714 9.652 1.880 727 HD3 ARG 91 HD3 ARG 91 -8.181 8.405 0.752 728 HE ARG 91 HE ARG 91 -7.203 10.891 -0.109 729 HH11 ARG 91 HH11 ARG 91 -6.773 8.593 2.473 730 HH12 ARG 91 HH12 ARG 91 -5.116 9.018 2.749 731 HH21 ARG 91 HH21 ARG 91 -5.023 11.459 0.247 732 HH22 ARG 91 HH22 ARG 91 -4.122 10.649 1.485 733 H PHE 92 H PHE 92 -11.598 9.611 -2.190 734 HA PHE 92 HA PHE 92 -14.111 8.612 -1.022 735 HB2 PHE 92 HB2 PHE 92 -13.423 9.237 -3.849 736 HB3 PHE 92 HB3 PHE 92 -14.418 7.814 -3.554 737 HD1 PHE 92 HD1 PHE 92 -14.261 11.296 -2.209 738 HD2 PHE 92 HD2 PHE 92 -16.651 8.185 -3.858 739 HE1 PHE 92 HE1 PHE 92 -16.250 12.733 -2.026 740 HE2 PHE 92 HE2 PHE 92 -18.644 9.617 -3.679 741 HZ PHE 92 HZ PHE 92 -18.445 11.893 -2.761 742 H GLY 93 H GLY 93 -11.075 7.879 -2.614 743 HA2 GLY 93 HA2 GLY 93 -9.902 5.917 -2.861 744 HA3 GLY 93 HA3 GLY 93 -10.577 5.515 -1.289 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.425 -0.217 0.190 2 HA2 GLY 1 HA2 GLY 1 3.166 -1.108 -1.724 3 HA3 GLY 1 HA3 GLY 1 1.604 -1.118 -2.529 4 HA PRO 2 HA PRO 2 3.612 3.115 -2.835 5 HB2 PRO 2 HB2 PRO 2 3.686 3.206 -5.547 6 HB3 PRO 2 HB3 PRO 2 4.997 2.530 -4.572 7 HG2 PRO 2 HG2 PRO 2 2.794 1.116 -6.026 8 HG3 PRO 2 HG3 PRO 2 4.515 0.703 -5.927 9 HD2 PRO 2 HD2 PRO 2 2.632 -0.533 -4.425 10 HD3 PRO 2 HD3 PRO 2 4.292 -0.273 -3.850 11 H SER 3 H SER 3 2.567 5.027 -3.468 12 HA SER 3 HA SER 3 -0.159 4.710 -4.531 13 HB2 SER 3 HB2 SER 3 0.168 5.200 -1.951 14 HB3 SER 3 HB3 SER 3 0.404 6.852 -2.522 15 HG SER 3 HG SER 3 -1.886 5.398 -2.324 16 H ASN 4 H ASN 4 -0.169 5.652 -6.461 17 HA ASN 4 HA ASN 4 1.400 8.105 -6.855 18 HB2 ASN 4 HB2 ASN 4 0.359 6.035 -8.785 19 HB3 ASN 4 HB3 ASN 4 0.974 7.596 -9.323 20 HD21 ASN 4 HD21 ASN 4 1.821 4.686 -7.532 21 HD22 ASN 4 HD22 ASN 4 3.514 4.756 -7.864 22 H LYS 5 H LYS 5 -1.809 6.791 -6.861 23 HA LYS 5 HA LYS 5 -2.887 9.483 -7.209 24 HB2 LYS 5 HB2 LYS 5 -4.737 8.018 -8.595 25 HB3 LYS 5 HB3 LYS 5 -3.485 9.013 -9.325 26 HG2 LYS 5 HG2 LYS 5 -3.504 6.852 -10.372 27 HG3 LYS 5 HG3 LYS 5 -2.019 7.033 -9.436 28 HD2 LYS 5 HD2 LYS 5 -3.755 5.922 -7.617 29 HD3 LYS 5 HD3 LYS 5 -4.212 5.131 -9.127 30 HE2 LYS 5 HE2 LYS 5 -1.573 4.906 -9.350 31 HE3 LYS 5 HE3 LYS 5 -1.674 4.994 -7.593 32 HZ1 LYS 5 HZ1 LYS 5 -1.873 2.725 -8.904 33 HZ2 LYS 5 HZ2 LYS 5 -3.505 3.167 -8.942 34 HZ3 LYS 5 HZ3 LYS 5 -2.708 3.000 -7.459 35 H ILE 6 H ILE 6 -5.171 9.632 -6.549 36 HA ILE 6 HA ILE 6 -6.216 7.442 -4.958 37 HB ILE 6 HB ILE 6 -6.496 8.822 -2.933 38 HG12 ILE 6 HG12 ILE 6 -4.430 10.739 -3.915 39 HG13 ILE 6 HG13 ILE 6 -6.095 10.978 -4.432 40 HG21 ILE 6 HG21 ILE 6 -4.358 8.430 -2.069 41 HG22 ILE 6 HG22 ILE 6 -4.518 7.267 -3.385 42 HG23 ILE 6 HG23 ILE 6 -3.577 8.740 -3.619 43 HD11 ILE 6 HD11 ILE 6 -6.790 11.049 -2.079 44 HD12 ILE 6 HD12 ILE 6 -5.102 10.877 -1.596 45 HD13 ILE 6 HD13 ILE 6 -5.624 12.310 -2.482 46 H LYS 7 H LYS 7 -8.420 7.722 -4.353 47 HA LYS 7 HA LYS 7 -9.918 9.266 -6.247 48 HB2 LYS 7 HB2 LYS 7 -10.389 7.022 -4.583 49 HB3 LYS 7 HB3 LYS 7 -11.570 8.246 -4.138 50 HG2 LYS 7 HG2 LYS 7 -11.910 8.424 -6.728 51 HG3 LYS 7 HG3 LYS 7 -11.216 6.801 -6.715 52 HD2 LYS 7 HD2 LYS 7 -13.232 6.012 -6.204 53 HD3 LYS 7 HD3 LYS 7 -13.107 6.835 -4.648 54 HE2 LYS 7 HE2 LYS 7 -14.141 8.816 -5.573 55 HE3 LYS 7 HE3 LYS 7 -14.165 8.089 -7.180 56 HZ1 LYS 7 HZ1 LYS 7 -16.281 8.034 -5.726 57 HZ2 LYS 7 HZ2 LYS 7 -15.522 6.742 -4.941 58 HZ3 LYS 7 HZ3 LYS 7 -15.848 6.650 -6.599 59 H CYS 8 H CYS 8 -11.243 11.025 -5.883 60 HA CYS 8 HA CYS 8 -11.835 12.128 -3.368 61 HB2 CYS 8 HB2 CYS 8 -10.371 14.112 -3.401 62 HB3 CYS 8 HB3 CYS 8 -9.449 12.621 -3.253 63 HG CYS 8 HG CYS 8 -9.463 14.892 -5.728 64 H SER 9 H SER 9 -12.878 14.251 -3.533 65 HA SER 9 HA SER 9 -13.848 14.781 -6.266 66 HB2 SER 9 HB2 SER 9 -15.435 15.155 -3.717 67 HB3 SER 9 HB3 SER 9 -16.027 15.298 -5.372 68 HG SER 9 HG SER 9 -15.115 12.953 -5.395 69 H HIS 10 H HIS 10 -15.300 17.061 -5.773 70 HA HIS 10 HA HIS 10 -13.890 19.010 -4.267 71 HB2 HIS 10 HB2 HIS 10 -12.949 20.322 -6.111 72 HB3 HIS 10 HB3 HIS 10 -12.227 18.716 -6.051 73 HD1 HIS 10 HD1 HIS 10 -13.805 21.038 -8.323 74 HD2 HIS 10 HD2 HIS 10 -13.435 16.909 -8.060 75 HE1 HIS 10 HE1 HIS 10 -14.342 20.167 -10.621 76 H ILE 11 H ILE 11 -14.953 20.996 -4.218 77 HA ILE 11 HA ILE 11 -17.236 21.397 -5.986 78 HB ILE 11 HB ILE 11 -17.487 21.206 -2.985 79 HG12 ILE 11 HG12 ILE 11 -18.989 19.782 -5.191 80 HG13 ILE 11 HG13 ILE 11 -17.631 19.092 -4.309 81 HG21 ILE 11 HG21 ILE 11 -18.693 23.158 -3.656 82 HG22 ILE 11 HG22 ILE 11 -19.421 22.304 -5.016 83 HG23 ILE 11 HG23 ILE 11 -19.862 21.872 -3.364 84 HD11 ILE 11 HD11 ILE 11 -19.701 18.256 -3.419 85 HD12 ILE 11 HD12 ILE 11 -18.923 19.297 -2.225 86 HD13 ILE 11 HD13 ILE 11 -20.292 19.898 -3.163 87 H LEU 12 H LEU 12 -17.158 23.420 -6.681 88 HA LEU 12 HA LEU 12 -15.744 25.426 -5.084 89 HB2 LEU 12 HB2 LEU 12 -16.308 25.041 -7.962 90 HB3 LEU 12 HB3 LEU 12 -16.254 26.705 -7.383 91 HG LEU 12 HG LEU 12 -14.108 26.072 -8.295 92 HD11 LEU 12 HD11 LEU 12 -14.336 27.497 -6.185 93 HD12 LEU 12 HD12 LEU 12 -12.748 26.823 -6.551 94 HD13 LEU 12 HD13 LEU 12 -13.759 26.075 -5.316 95 HD21 LEU 12 HD21 LEU 12 -14.639 23.567 -7.430 96 HD22 LEU 12 HD22 LEU 12 -13.496 24.101 -6.199 97 HD23 LEU 12 HD23 LEU 12 -13.036 24.133 -7.901 98 H VAL 13 H VAL 13 -16.751 27.092 -4.141 99 HA VAL 13 HA VAL 13 -19.537 27.663 -4.899 100 HB VAL 13 HB VAL 13 -20.136 28.006 -2.560 101 HG11 VAL 13 HG11 VAL 13 -18.870 25.296 -2.956 102 HG12 VAL 13 HG12 VAL 13 -20.188 25.694 -1.854 103 HG13 VAL 13 HG13 VAL 13 -20.439 25.784 -3.597 104 HG21 VAL 13 HG21 VAL 13 -17.850 28.634 -1.800 105 HG22 VAL 13 HG22 VAL 13 -18.656 27.473 -0.745 106 HG23 VAL 13 HG23 VAL 13 -17.406 26.929 -1.864 107 H SER 14 H SER 14 -20.145 29.759 -3.393 108 HA SER 14 HA SER 14 -18.071 31.745 -4.053 109 HB2 SER 14 HB2 SER 14 -21.042 31.773 -4.317 110 HB3 SER 14 HB3 SER 14 -20.236 33.293 -3.928 111 HG SER 14 HG SER 14 -19.207 31.732 -6.009 112 H LYS 15 H LYS 15 -20.030 30.397 -1.581 113 HA LYS 15 HA LYS 15 -18.960 32.368 0.324 114 HB2 LYS 15 HB2 LYS 15 -21.005 32.468 1.521 115 HB3 LYS 15 HB3 LYS 15 -21.423 32.687 -0.173 116 HG2 LYS 15 HG2 LYS 15 -21.985 30.247 -0.255 117 HG3 LYS 15 HG3 LYS 15 -21.775 30.211 1.497 118 HD2 LYS 15 HD2 LYS 15 -24.071 30.527 1.220 119 HD3 LYS 15 HD3 LYS 15 -23.461 32.154 1.531 120 HE2 LYS 15 HE2 LYS 15 -24.718 32.634 -0.292 121 HE3 LYS 15 HE3 LYS 15 -23.256 32.123 -1.134 122 HZ1 LYS 15 HZ1 LYS 15 -25.630 31.131 -1.688 123 HZ2 LYS 15 HZ2 LYS 15 -25.192 30.049 -0.465 124 HZ3 LYS 15 HZ3 LYS 15 -24.215 30.214 -1.836 125 H GLN 16 H GLN 16 -18.570 31.580 2.448 126 HA GLN 16 HA GLN 16 -17.542 28.944 2.524 127 HB2 GLN 16 HB2 GLN 16 -17.912 31.122 4.547 128 HB3 GLN 16 HB3 GLN 16 -17.454 29.511 5.081 129 HG2 GLN 16 HG2 GLN 16 -15.629 29.803 3.188 130 HG3 GLN 16 HG3 GLN 16 -15.912 31.509 3.531 131 HE21 GLN 16 HE21 GLN 16 -13.709 29.427 4.086 132 HE22 GLN 16 HE22 GLN 16 -13.315 29.708 5.744 133 H SER 17 H SER 17 -20.618 30.312 3.324 134 HA SER 17 HA SER 17 -21.549 28.334 5.103 135 HB2 SER 17 HB2 SER 17 -22.889 30.353 3.331 136 HB3 SER 17 HB3 SER 17 -23.855 29.144 4.176 137 HG SER 17 HG SER 17 -23.754 30.688 5.653 138 H GLU 18 H GLU 18 -21.081 28.342 1.698 139 HA GLU 18 HA GLU 18 -22.834 26.043 1.291 140 HB2 GLU 18 HB2 GLU 18 -21.291 27.841 -0.560 141 HB3 GLU 18 HB3 GLU 18 -21.954 26.314 -1.123 142 HG2 GLU 18 HG2 GLU 18 -24.166 27.243 -0.073 143 HG3 GLU 18 HG3 GLU 18 -23.358 28.796 -0.279 144 H ALA 19 H ALA 19 -19.408 26.918 0.956 145 HA ALA 19 HA ALA 19 -18.533 24.334 0.190 146 HB1 ALA 19 HB1 ALA 19 -16.856 25.717 -0.348 147 HB2 ALA 19 HB2 ALA 19 -17.295 26.890 0.894 148 HB3 ALA 19 HB3 ALA 19 -16.327 25.477 1.318 149 H LEU 20 H LEU 20 -18.451 26.041 3.315 150 HA LEU 20 HA LEU 20 -17.355 23.856 4.755 151 HB2 LEU 20 HB2 LEU 20 -17.472 26.382 5.347 152 HB3 LEU 20 HB3 LEU 20 -19.048 25.973 6.023 153 HG LEU 20 HG LEU 20 -17.621 24.141 7.298 154 HD11 LEU 20 HD11 LEU 20 -15.417 24.376 7.250 155 HD12 LEU 20 HD12 LEU 20 -15.539 26.087 7.660 156 HD13 LEU 20 HD13 LEU 20 -15.615 25.577 5.973 157 HD21 LEU 20 HD21 LEU 20 -18.990 26.133 8.150 158 HD22 LEU 20 HD22 LEU 20 -17.448 26.984 8.245 159 HD23 LEU 20 HD23 LEU 20 -17.704 25.513 9.186 160 H ALA 21 H ALA 21 -20.418 24.378 3.469 161 HA ALA 21 HA ALA 21 -21.967 23.043 5.478 162 HB1 ALA 21 HB1 ALA 21 -22.467 24.419 3.001 163 HB2 ALA 21 HB2 ALA 21 -23.363 22.901 3.064 164 HB3 ALA 21 HB3 ALA 21 -23.560 24.096 4.346 165 H ILE 22 H ILE 22 -19.759 21.972 3.204 166 HA ILE 22 HA ILE 22 -21.026 19.505 2.476 167 HB ILE 22 HB ILE 22 -18.117 20.292 2.283 168 HG12 ILE 22 HG12 ILE 22 -19.520 21.800 0.992 169 HG13 ILE 22 HG13 ILE 22 -18.650 20.728 -0.099 170 HG21 ILE 22 HG21 ILE 22 -18.159 18.501 0.470 171 HG22 ILE 22 HG22 ILE 22 -18.189 17.952 2.145 172 HG23 ILE 22 HG23 ILE 22 -19.675 17.968 1.197 173 HD11 ILE 22 HD11 ILE 22 -20.961 19.354 0.288 174 HD12 ILE 22 HD12 ILE 22 -21.517 21.026 0.357 175 HD13 ILE 22 HD13 ILE 22 -20.642 20.446 -1.059 176 H MET 23 H MET 23 -19.195 20.620 5.160 177 HA MET 23 HA MET 23 -18.593 17.888 6.032 178 HB2 MET 23 HB2 MET 23 -17.250 18.988 7.803 179 HB3 MET 23 HB3 MET 23 -16.735 19.426 6.179 180 HG2 MET 23 HG2 MET 23 -17.572 21.580 6.355 181 HG3 MET 23 HG3 MET 23 -18.652 21.156 7.680 182 HE1 MET 23 HE1 MET 23 -15.198 21.182 6.442 183 HE2 MET 23 HE2 MET 23 -14.387 22.330 7.508 184 HE3 MET 23 HE3 MET 23 -14.329 20.603 7.863 185 H GLU 24 H GLU 24 -21.114 19.934 6.212 186 HA GLU 24 HA GLU 24 -21.858 19.036 8.919 187 HB2 GLU 24 HB2 GLU 24 -23.018 21.027 9.309 188 HB3 GLU 24 HB3 GLU 24 -21.554 21.556 8.492 189 HG2 GLU 24 HG2 GLU 24 -22.895 21.517 6.350 190 HG3 GLU 24 HG3 GLU 24 -24.324 21.327 7.363 191 H LYS 25 H LYS 25 -22.821 19.397 5.585 192 HA LYS 25 HA LYS 25 -25.539 18.633 5.922 193 HB2 LYS 25 HB2 LYS 25 -24.513 19.851 3.934 194 HB3 LYS 25 HB3 LYS 25 -23.902 18.287 3.413 195 HG2 LYS 25 HG2 LYS 25 -25.948 17.536 2.787 196 HG3 LYS 25 HG3 LYS 25 -26.792 18.472 4.023 197 HD2 LYS 25 HD2 LYS 25 -25.440 19.841 1.727 198 HD3 LYS 25 HD3 LYS 25 -27.050 19.145 1.535 199 HE2 LYS 25 HE2 LYS 25 -27.652 21.235 2.197 200 HE3 LYS 25 HE3 LYS 25 -27.472 20.495 3.786 201 HZ1 LYS 25 HZ1 LYS 25 -25.097 21.711 2.603 202 HZ2 LYS 25 HZ2 LYS 25 -25.594 21.657 4.218 203 HZ3 LYS 25 HZ3 LYS 25 -26.305 22.761 3.152 204 H LEU 26 H LEU 26 -22.804 16.832 4.498 205 HA LEU 26 HA LEU 26 -24.069 14.364 4.329 206 HB2 LEU 26 HB2 LEU 26 -21.144 14.768 4.907 207 HB3 LEU 26 HB3 LEU 26 -21.898 13.398 4.095 208 HG LEU 26 HG LEU 26 -21.715 16.204 2.998 209 HD11 LEU 26 HD11 LEU 26 -20.215 15.012 1.321 210 HD12 LEU 26 HD12 LEU 26 -20.115 13.712 2.508 211 HD13 LEU 26 HD13 LEU 26 -19.542 15.328 2.921 212 HD21 LEU 26 HD21 LEU 26 -22.349 14.841 0.873 213 HD22 LEU 26 HD22 LEU 26 -23.609 15.347 1.999 214 HD23 LEU 26 HD23 LEU 26 -23.008 13.689 2.035 215 H LYS 27 H LYS 27 -22.749 16.007 7.070 216 HA LYS 27 HA LYS 27 -22.210 13.923 8.815 217 HB2 LYS 27 HB2 LYS 27 -21.879 16.437 9.158 218 HB3 LYS 27 HB3 LYS 27 -23.561 16.478 9.670 219 HG2 LYS 27 HG2 LYS 27 -21.778 14.497 10.968 220 HG3 LYS 27 HG3 LYS 27 -21.564 16.199 11.385 221 HD2 LYS 27 HD2 LYS 27 -24.322 15.079 11.377 222 HD3 LYS 27 HD3 LYS 27 -23.248 14.653 12.711 223 HE2 LYS 27 HE2 LYS 27 -23.739 17.490 11.835 224 HE3 LYS 27 HE3 LYS 27 -24.712 16.683 13.063 225 HZ1 LYS 27 HZ1 LYS 27 -21.968 17.647 13.206 226 HZ2 LYS 27 HZ2 LYS 27 -22.298 16.199 14.014 227 HZ3 LYS 27 HZ3 LYS 27 -23.162 17.602 14.403 228 H SER 28 H SER 28 -25.259 15.130 7.680 229 HA SER 28 HA SER 28 -26.796 13.772 9.724 230 HB2 SER 28 HB2 SER 28 -27.402 15.573 7.431 231 HB3 SER 28 HB3 SER 28 -28.678 14.475 7.958 232 HG SER 28 HG SER 28 -28.500 16.649 8.997 233 H GLY 29 H GLY 29 -25.662 13.171 6.494 234 HA2 GLY 29 HA2 GLY 29 -25.507 10.707 6.034 235 HA3 GLY 29 HA3 GLY 29 -27.215 10.657 6.449 236 H GLU 30 H GLU 30 -25.628 13.174 4.559 237 HA GLU 30 HA GLU 30 -27.454 12.580 2.356 238 HB2 GLU 30 HB2 GLU 30 -25.592 14.936 2.474 239 HB3 GLU 30 HB3 GLU 30 -27.111 14.779 1.604 240 HG2 GLU 30 HG2 GLU 30 -26.807 14.958 4.594 241 HG3 GLU 30 HG3 GLU 30 -27.316 16.263 3.524 242 H LYS 31 H LYS 31 -26.100 13.630 0.219 243 HA LYS 31 HA LYS 31 -23.782 11.829 -0.051 244 HB2 LYS 31 HB2 LYS 31 -25.992 11.302 -1.329 245 HB3 LYS 31 HB3 LYS 31 -25.496 12.620 -2.383 246 HG2 LYS 31 HG2 LYS 31 -24.416 11.045 -3.531 247 HG3 LYS 31 HG3 LYS 31 -23.217 11.126 -2.239 248 HD2 LYS 31 HD2 LYS 31 -25.608 9.314 -2.068 249 HD3 LYS 31 HD3 LYS 31 -24.124 8.817 -2.885 250 HE2 LYS 31 HE2 LYS 31 -23.575 8.062 -0.829 251 HE3 LYS 31 HE3 LYS 31 -23.097 9.740 -0.576 252 HZ1 LYS 31 HZ1 LYS 31 -25.177 8.247 0.677 253 HZ2 LYS 31 HZ2 LYS 31 -25.774 9.678 -0.001 254 HZ3 LYS 31 HZ3 LYS 31 -24.508 9.737 1.121 255 H PHE 32 H PHE 32 -21.954 12.623 -0.980 256 HA PHE 32 HA PHE 32 -21.479 15.377 -0.951 257 HB2 PHE 32 HB2 PHE 32 -19.708 13.666 -0.737 258 HB3 PHE 32 HB3 PHE 32 -19.927 13.245 -2.433 259 HD1 PHE 32 HD1 PHE 32 -19.415 14.967 -4.185 260 HD2 PHE 32 HD2 PHE 32 -18.341 15.459 -0.096 261 HE1 PHE 32 HE1 PHE 32 -17.779 16.690 -4.825 262 HE2 PHE 32 HE2 PHE 32 -16.705 17.183 -0.729 263 HZ PHE 32 HZ PHE 32 -16.423 17.802 -3.096 264 H GLY 33 H GLY 33 -21.992 13.183 -3.707 265 HA2 GLY 33 HA2 GLY 33 -21.716 15.067 -5.750 266 HA3 GLY 33 HA3 GLY 33 -22.670 13.596 -5.859 267 H LYS 34 H LYS 34 -24.488 14.312 -3.725 268 HA LYS 34 HA LYS 34 -26.469 15.620 -5.204 269 HB2 LYS 34 HB2 LYS 34 -26.141 14.721 -2.406 270 HB3 LYS 34 HB3 LYS 34 -27.333 15.988 -2.664 271 HG2 LYS 34 HG2 LYS 34 -28.549 14.620 -4.205 272 HG3 LYS 34 HG3 LYS 34 -27.288 13.385 -4.173 273 HD2 LYS 34 HD2 LYS 34 -28.719 12.447 -2.675 274 HD3 LYS 34 HD3 LYS 34 -27.822 13.485 -1.564 275 HE2 LYS 34 HE2 LYS 34 -30.022 13.953 -1.018 276 HE3 LYS 34 HE3 LYS 34 -29.628 15.248 -2.145 277 HZ1 LYS 34 HZ1 LYS 34 -31.442 12.993 -2.466 278 HZ2 LYS 34 HZ2 LYS 34 -30.555 13.443 -3.835 279 HZ3 LYS 34 HZ3 LYS 34 -31.558 14.569 -3.068 280 H LEU 35 H LEU 35 -23.870 16.871 -3.339 281 HA LEU 35 HA LEU 35 -25.075 19.549 -3.309 282 HB2 LEU 35 HB2 LEU 35 -22.494 18.854 -1.972 283 HB3 LEU 35 HB3 LEU 35 -23.645 20.127 -1.575 284 HG LEU 35 HG LEU 35 -23.982 17.175 -1.050 285 HD11 LEU 35 HD11 LEU 35 -22.594 17.833 0.635 286 HD12 LEU 35 HD12 LEU 35 -24.147 18.273 1.346 287 HD13 LEU 35 HD13 LEU 35 -23.143 19.508 0.587 288 HD21 LEU 35 HD21 LEU 35 -26.126 18.109 -1.583 289 HD22 LEU 35 HD22 LEU 35 -25.831 19.502 -0.542 290 HD23 LEU 35 HD23 LEU 35 -26.027 17.898 0.166 291 H ALA 36 H ALA 36 -22.612 17.631 -4.764 292 HA ALA 36 HA ALA 36 -21.011 19.832 -5.691 293 HB1 ALA 36 HB1 ALA 36 -21.027 16.942 -6.553 294 HB2 ALA 36 HB2 ALA 36 -19.803 18.140 -6.976 295 HB3 ALA 36 HB3 ALA 36 -20.008 17.644 -5.296 296 H LYS 37 H LYS 37 -23.852 18.219 -6.752 297 HA LYS 37 HA LYS 37 -23.580 19.010 -9.522 298 HB2 LYS 37 HB2 LYS 37 -24.747 16.905 -8.754 299 HB3 LYS 37 HB3 LYS 37 -26.036 17.930 -8.137 300 HG2 LYS 37 HG2 LYS 37 -25.397 18.550 -10.891 301 HG3 LYS 37 HG3 LYS 37 -25.846 16.857 -10.678 302 HD2 LYS 37 HD2 LYS 37 -27.983 17.360 -10.071 303 HD3 LYS 37 HD3 LYS 37 -27.521 18.883 -9.308 304 HE2 LYS 37 HE2 LYS 37 -27.367 19.983 -11.409 305 HE3 LYS 37 HE3 LYS 37 -27.489 18.459 -12.288 306 HZ1 LYS 37 HZ1 LYS 37 -29.639 19.691 -10.650 307 HZ2 LYS 37 HZ2 LYS 37 -29.758 18.222 -11.479 308 HZ3 LYS 37 HZ3 LYS 37 -29.574 19.666 -12.340 309 H GLU 38 H GLU 38 -24.156 20.720 -6.838 310 HA GLU 38 HA GLU 38 -25.800 22.672 -8.289 311 HB2 GLU 38 HB2 GLU 38 -26.168 22.114 -5.348 312 HB3 GLU 38 HB3 GLU 38 -27.159 23.133 -6.383 313 HG2 GLU 38 HG2 GLU 38 -27.383 20.765 -7.660 314 HG3 GLU 38 HG3 GLU 38 -27.197 20.223 -5.993 315 H LEU 39 H LEU 39 -23.969 22.245 -5.256 316 HA LEU 39 HA LEU 39 -23.290 24.930 -4.901 317 HB2 LEU 39 HB2 LEU 39 -21.743 22.480 -4.070 318 HB3 LEU 39 HB3 LEU 39 -21.505 24.106 -3.435 319 HG LEU 39 HG LEU 39 -23.989 22.426 -3.094 320 HD11 LEU 39 HD11 LEU 39 -22.214 21.516 -1.776 321 HD12 LEU 39 HD12 LEU 39 -23.283 22.421 -0.705 322 HD13 LEU 39 HD13 LEU 39 -21.744 23.119 -1.209 323 HD21 LEU 39 HD21 LEU 39 -24.652 24.697 -3.119 324 HD22 LEU 39 HD22 LEU 39 -23.256 25.191 -2.160 325 HD23 LEU 39 HD23 LEU 39 -24.540 24.234 -1.420 326 H SER 40 H SER 40 -21.341 22.311 -6.333 327 HA SER 40 HA SER 40 -19.096 23.747 -7.021 328 HB2 SER 40 HB2 SER 40 -20.239 21.679 -8.887 329 HB3 SER 40 HB3 SER 40 -18.550 21.999 -8.499 330 HG SER 40 HG SER 40 -18.861 20.365 -7.191 331 H ILE 41 H ILE 41 -19.189 25.720 -7.916 332 HA ILE 41 HA ILE 41 -21.110 26.433 -9.918 333 HB ILE 41 HB ILE 41 -19.813 28.561 -10.064 334 HG12 ILE 41 HG12 ILE 41 -18.252 27.865 -7.650 335 HG13 ILE 41 HG13 ILE 41 -17.708 27.117 -9.148 336 HG21 ILE 41 HG21 ILE 41 -21.412 27.576 -7.977 337 HG22 ILE 41 HG22 ILE 41 -20.117 28.498 -7.216 338 HG23 ILE 41 HG23 ILE 41 -21.144 29.259 -8.431 339 HD11 ILE 41 HD11 ILE 41 -18.076 29.721 -9.891 340 HD12 ILE 41 HD12 ILE 41 -17.481 29.870 -8.237 341 HD13 ILE 41 HD13 ILE 41 -16.539 28.985 -9.438 342 H ASP 42 H ASP 42 -17.946 25.086 -9.929 343 HA ASP 42 HA ASP 42 -17.037 25.943 -12.448 344 HB2 ASP 42 HB2 ASP 42 -15.519 24.907 -10.869 345 HB3 ASP 42 HB3 ASP 42 -16.441 23.407 -10.911 346 H SER 43 H SER 43 -18.084 25.676 -14.301 347 HA SER 43 HA SER 43 -20.169 23.954 -14.829 348 HB2 SER 43 HB2 SER 43 -19.263 24.231 -17.310 349 HB3 SER 43 HB3 SER 43 -19.986 25.586 -16.444 350 HG SER 43 HG SER 43 -17.994 26.161 -17.402 351 H GLY 44 H GLY 44 -16.729 23.352 -14.980 352 HA2 GLY 44 HA2 GLY 44 -17.141 20.739 -16.223 353 HA3 GLY 44 HA3 GLY 44 -15.592 21.492 -15.877 354 H SER 45 H SER 45 -18.359 20.884 -13.737 355 HA SER 45 HA SER 45 -17.003 18.741 -12.373 356 HB2 SER 45 HB2 SER 45 -16.603 19.788 -10.296 357 HB3 SER 45 HB3 SER 45 -15.998 20.938 -11.490 358 HG SER 45 HG SER 45 -17.940 22.095 -11.267 359 H ALA 46 H ALA 46 -19.587 21.166 -12.178 360 HA ALA 46 HA ALA 46 -21.309 19.763 -10.481 361 HB1 ALA 46 HB1 ALA 46 -22.768 21.444 -10.845 362 HB2 ALA 46 HB2 ALA 46 -21.370 22.205 -11.605 363 HB3 ALA 46 HB3 ALA 46 -22.573 21.381 -12.597 364 H LYS 47 H LYS 47 -20.457 19.181 -13.742 365 HA LYS 47 HA LYS 47 -22.854 17.700 -14.396 366 HB2 LYS 47 HB2 LYS 47 -20.310 18.369 -15.818 367 HB3 LYS 47 HB3 LYS 47 -21.293 17.037 -16.410 368 HG2 LYS 47 HG2 LYS 47 -23.215 18.586 -16.578 369 HG3 LYS 47 HG3 LYS 47 -22.148 19.908 -16.100 370 HD2 LYS 47 HD2 LYS 47 -20.683 19.177 -18.077 371 HD3 LYS 47 HD3 LYS 47 -22.094 18.259 -18.610 372 HE2 LYS 47 HE2 LYS 47 -21.939 21.235 -18.143 373 HE3 LYS 47 HE3 LYS 47 -22.063 20.417 -19.699 374 HZ1 LYS 47 HZ1 LYS 47 -24.243 20.741 -19.450 375 HZ2 LYS 47 HZ2 LYS 47 -24.122 21.052 -17.792 376 HZ3 LYS 47 HZ3 LYS 47 -24.195 19.457 -18.349 377 H LYS 48 H LYS 48 -19.803 17.084 -12.950 378 HA LYS 48 HA LYS 48 -20.293 14.183 -13.132 379 HB2 LYS 48 HB2 LYS 48 -17.764 14.049 -12.627 380 HB3 LYS 48 HB3 LYS 48 -18.268 14.483 -14.256 381 HG2 LYS 48 HG2 LYS 48 -17.773 16.676 -12.316 382 HG3 LYS 48 HG3 LYS 48 -16.384 15.812 -12.981 383 HD2 LYS 48 HD2 LYS 48 -18.459 16.668 -14.907 384 HD3 LYS 48 HD3 LYS 48 -17.491 17.946 -14.168 385 HE2 LYS 48 HE2 LYS 48 -16.280 17.400 -16.074 386 HE3 LYS 48 HE3 LYS 48 -15.471 16.478 -14.807 387 HZ1 LYS 48 HZ1 LYS 48 -16.059 15.319 -17.009 388 HZ2 LYS 48 HZ2 LYS 48 -17.632 15.250 -16.391 389 HZ3 LYS 48 HZ3 LYS 48 -16.363 14.501 -15.560 390 H ASN 49 H ASN 49 -21.279 16.173 -11.165 391 HA ASN 49 HA ASN 49 -21.522 16.437 -8.914 392 HB2 ASN 49 HB2 ASN 49 -20.717 13.526 -9.045 393 HB3 ASN 49 HB3 ASN 49 -21.315 14.307 -7.584 394 HD21 ASN 49 HD21 ASN 49 -23.457 15.320 -7.735 395 HD22 ASN 49 HD22 ASN 49 -24.653 14.564 -8.725 396 H GLY 50 H GLY 50 -18.915 17.092 -10.055 397 HA2 GLY 50 HA2 GLY 50 -16.831 17.737 -9.342 398 HA3 GLY 50 HA3 GLY 50 -17.508 17.698 -7.721 399 H ASN 51 H ASN 51 -17.590 14.771 -9.524 400 HA ASN 51 HA ASN 51 -15.610 13.625 -7.705 401 HB2 ASN 51 HB2 ASN 51 -18.000 12.663 -8.262 402 HB3 ASN 51 HB3 ASN 51 -17.173 11.985 -9.661 403 HD21 ASN 51 HD21 ASN 51 -16.891 12.259 -6.144 404 HD22 ASN 51 HD22 ASN 51 -16.221 10.685 -5.901 405 H LEU 52 H LEU 52 -13.784 14.588 -8.778 406 HA LEU 52 HA LEU 52 -13.167 14.124 -11.495 407 HB2 LEU 52 HB2 LEU 52 -10.846 14.726 -10.817 408 HB3 LEU 52 HB3 LEU 52 -12.076 15.902 -10.360 409 HG LEU 52 HG LEU 52 -11.974 14.554 -8.073 410 HD11 LEU 52 HD11 LEU 52 -10.259 13.174 -7.824 411 HD12 LEU 52 HD12 LEU 52 -9.126 14.435 -8.309 412 HD13 LEU 52 HD13 LEU 52 -9.865 13.397 -9.528 413 HD21 LEU 52 HD21 LEU 52 -9.674 16.359 -8.348 414 HD22 LEU 52 HD22 LEU 52 -11.060 16.438 -7.259 415 HD23 LEU 52 HD23 LEU 52 -11.208 17.014 -8.920 416 H GLY 53 H GLY 53 -13.070 12.092 -8.757 417 HA2 GLY 53 HA2 GLY 53 -12.636 9.815 -8.693 418 HA3 GLY 53 HA3 GLY 53 -12.065 9.908 -10.352 419 H TYR 54 H TYR 54 -10.051 9.186 -10.458 420 HA TYR 54 HA TYR 54 -8.250 9.535 -8.198 421 HB2 TYR 54 HB2 TYR 54 -8.413 7.741 -10.524 422 HB3 TYR 54 HB3 TYR 54 -6.779 8.249 -10.112 423 HD1 TYR 54 HD1 TYR 54 -9.628 7.629 -7.805 424 HD2 TYR 54 HD2 TYR 54 -5.840 6.299 -9.214 425 HE1 TYR 54 HE1 TYR 54 -9.561 5.943 -6.016 426 HE2 TYR 54 HE2 TYR 54 -5.763 4.608 -7.430 427 HH TYR 54 HH TYR 54 -8.511 3.944 -5.407 428 H PHE 55 H PHE 55 -6.544 10.880 -8.143 429 HA PHE 55 HA PHE 55 -5.726 12.241 -10.607 430 HB2 PHE 55 HB2 PHE 55 -6.043 14.377 -9.805 431 HB3 PHE 55 HB3 PHE 55 -7.404 13.554 -9.051 432 HD1 PHE 55 HD2 PHE 55 -6.420 12.259 -6.756 433 HD2 PHE 55 HD1 PHE 55 -5.163 15.969 -8.419 434 HE1 PHE 55 HE2 PHE 55 -5.631 12.981 -4.539 435 HE2 PHE 55 HE1 PHE 55 -4.372 16.697 -6.205 436 HZ PHE 55 HZ PHE 55 -4.604 15.202 -4.262 437 H THR 56 H THR 56 -3.759 13.777 -9.929 438 HA THR 56 HA THR 56 -2.041 12.476 -7.965 439 HB THR 56 HB THR 56 -0.220 12.076 -9.460 440 HG1 THR 56 HG1 THR 56 -0.246 13.618 -10.984 441 HG21 THR 56 HG21 THR 56 -2.724 11.072 -10.817 442 HG22 THR 56 HG22 THR 56 -1.996 10.345 -9.385 443 HG23 THR 56 HG23 THR 56 -1.114 10.361 -10.911 444 H LYS 57 H LYS 57 0.278 13.667 -8.246 445 HA LYS 57 HA LYS 57 -0.304 16.437 -7.673 446 HB2 LYS 57 HB2 LYS 57 2.421 15.150 -7.757 447 HB3 LYS 57 HB3 LYS 57 1.930 16.585 -6.866 448 HG2 LYS 57 HG2 LYS 57 0.271 14.825 -5.749 449 HG3 LYS 57 HG3 LYS 57 1.572 13.725 -6.211 450 HD2 LYS 57 HD2 LYS 57 3.138 15.427 -5.097 451 HD3 LYS 57 HD3 LYS 57 1.676 16.095 -4.368 452 HE2 LYS 57 HE2 LYS 57 2.583 14.559 -2.803 453 HE3 LYS 57 HE3 LYS 57 1.172 13.782 -3.519 454 HZ1 LYS 57 HZ1 LYS 57 3.714 13.273 -4.832 455 HZ2 LYS 57 HZ2 LYS 57 2.427 12.221 -4.518 456 HZ3 LYS 57 HZ3 LYS 57 3.532 12.594 -3.293 457 H GLY 58 H GLY 58 -0.528 17.824 -9.306 458 HA2 GLY 58 HA2 GLY 58 0.881 19.143 -10.879 459 HA3 GLY 58 HA3 GLY 58 1.360 17.600 -11.571 460 H MET 59 H MET 59 -1.895 17.690 -10.621 461 HA MET 59 HA MET 59 -2.722 18.257 -13.392 462 HB2 MET 59 HB2 MET 59 -3.852 16.228 -11.460 463 HB3 MET 59 HB3 MET 59 -4.581 16.636 -13.008 464 HG2 MET 59 HG2 MET 59 -1.745 15.712 -12.879 465 HG3 MET 59 HG3 MET 59 -3.067 14.550 -12.808 466 HE1 MET 59 HE1 MET 59 -5.194 14.973 -15.262 467 HE2 MET 59 HE2 MET 59 -4.102 13.903 -16.144 468 HE3 MET 59 HE3 MET 59 -4.296 13.724 -14.399 469 H MET 60 H MET 60 -2.765 19.484 -10.390 470 HA MET 60 HA MET 60 -5.294 20.892 -10.878 471 HB2 MET 60 HB2 MET 60 -4.410 19.919 -8.157 472 HB3 MET 60 HB3 MET 60 -5.895 20.783 -8.532 473 HG2 MET 60 HG2 MET 60 -5.284 18.142 -9.797 474 HG3 MET 60 HG3 MET 60 -5.993 18.244 -8.187 475 HE1 MET 60 HE1 MET 60 -7.071 16.661 -10.313 476 HE2 MET 60 HE2 MET 60 -8.713 17.109 -10.775 477 HE3 MET 60 HE3 MET 60 -7.352 17.571 -11.798 478 H VAL 61 H VAL 61 -5.293 22.610 -8.765 479 HA VAL 61 HA VAL 61 -2.969 24.277 -9.378 480 HB VAL 61 HB VAL 61 -4.215 26.133 -8.488 481 HG11 VAL 61 HG11 VAL 61 -6.421 24.837 -9.946 482 HG12 VAL 61 HG12 VAL 61 -5.583 26.358 -10.266 483 HG13 VAL 61 HG13 VAL 61 -4.857 24.828 -10.760 484 HG21 VAL 61 HG21 VAL 61 -6.447 25.877 -7.531 485 HG22 VAL 61 HG22 VAL 61 -6.321 24.125 -7.688 486 HG23 VAL 61 HG23 VAL 61 -5.249 24.991 -6.589 487 H LYS 62 H LYS 62 -2.157 25.664 -7.530 488 HA LYS 62 HA LYS 62 -1.007 24.066 -5.561 489 HB2 LYS 62 HB2 LYS 62 0.190 25.995 -5.816 490 HB3 LYS 62 HB3 LYS 62 -1.246 26.982 -6.048 491 HG2 LYS 62 HG2 LYS 62 -1.649 27.118 -3.726 492 HG3 LYS 62 HG3 LYS 62 -0.479 25.842 -3.377 493 HD2 LYS 62 HD2 LYS 62 0.505 27.960 -2.814 494 HD3 LYS 62 HD3 LYS 62 1.314 27.330 -4.250 495 HE2 LYS 62 HE2 LYS 62 -0.186 28.757 -5.635 496 HE3 LYS 62 HE3 LYS 62 -0.817 29.462 -4.148 497 HZ1 LYS 62 HZ1 LYS 62 1.518 30.144 -5.562 498 HZ2 LYS 62 HZ2 LYS 62 1.958 29.605 -4.021 499 HZ3 LYS 62 HZ3 LYS 62 0.862 30.883 -4.189 500 HA PRO 63 HA PRO 63 -4.219 25.823 -2.412 501 HB2 PRO 63 HB2 PRO 63 -6.324 27.211 -3.419 502 HB3 PRO 63 HB3 PRO 63 -4.800 27.979 -2.958 503 HG2 PRO 63 HG2 PRO 63 -5.768 27.168 -5.673 504 HG3 PRO 63 HG3 PRO 63 -4.940 28.657 -5.179 505 HD2 PRO 63 HD2 PRO 63 -3.653 26.609 -6.395 506 HD3 PRO 63 HD3 PRO 63 -2.863 27.658 -5.199 507 H PHE 64 H PHE 64 -4.246 23.417 -3.836 508 HA PHE 64 HA PHE 64 -6.853 22.458 -3.208 509 HB2 PHE 64 HB2 PHE 64 -7.416 23.413 -5.371 510 HB3 PHE 64 HB3 PHE 64 -6.064 22.574 -6.126 511 HD1 PHE 64 HD2 PHE 64 -6.126 20.117 -6.382 512 HD2 PHE 64 HD1 PHE 64 -9.480 22.325 -4.970 513 HE1 PHE 64 HE2 PHE 64 -7.588 18.199 -6.868 514 HE2 PHE 64 HE1 PHE 64 -10.948 20.410 -5.453 515 HZ PHE 64 HZ PHE 64 -10.003 18.343 -6.404 516 H GLU 65 H GLU 65 -4.208 21.615 -5.453 517 HA GLU 65 HA GLU 65 -4.229 18.881 -5.060 518 HB2 GLU 65 HB2 GLU 65 -2.915 19.833 -6.826 519 HB3 GLU 65 HB3 GLU 65 -1.926 20.729 -5.681 520 HG2 GLU 65 HG2 GLU 65 -1.067 18.593 -4.801 521 HG3 GLU 65 HG3 GLU 65 -1.998 17.742 -6.032 522 H ASP 66 H ASP 66 -2.313 21.317 -3.316 523 HA ASP 66 HA ASP 66 -0.968 19.579 -1.597 524 HB2 ASP 66 HB2 ASP 66 -0.389 21.962 -1.879 525 HB3 ASP 66 HB3 ASP 66 -1.865 22.411 -1.030 526 H ALA 67 H ALA 67 -4.210 20.870 -1.465 527 HA ALA 67 HA ALA 67 -4.637 19.495 1.105 528 HB1 ALA 67 HB1 ALA 67 -5.183 21.730 1.464 529 HB2 ALA 67 HB2 ALA 67 -5.945 21.900 -0.118 530 HB3 ALA 67 HB3 ALA 67 -6.744 20.969 1.150 531 H ALA 68 H ALA 68 -4.600 18.109 -1.397 532 HA ALA 68 HA ALA 68 -7.435 17.334 -1.632 533 HB1 ALA 68 HB1 ALA 68 -6.659 16.416 -3.912 534 HB2 ALA 68 HB2 ALA 68 -6.893 18.156 -3.737 535 HB3 ALA 68 HB3 ALA 68 -5.266 17.475 -3.692 536 H PHE 69 H PHE 69 -4.219 16.321 -0.944 537 HA PHE 69 HA PHE 69 -5.154 13.535 -0.718 538 HB2 PHE 69 HB2 PHE 69 -2.646 12.983 -0.979 539 HB3 PHE 69 HB3 PHE 69 -3.546 13.440 -2.421 540 HD1 PHE 69 HD2 PHE 69 -1.671 15.165 0.310 541 HD2 PHE 69 HD1 PHE 69 -2.457 14.841 -3.860 542 HE1 PHE 69 HE2 PHE 69 -0.043 16.956 -0.133 543 HE2 PHE 69 HE1 PHE 69 -0.829 16.631 -4.311 544 HZ PHE 69 HZ PHE 69 0.379 17.692 -2.445 545 H LYS 70 H LYS 70 -4.438 16.180 1.017 546 HA LYS 70 HA LYS 70 -2.926 14.855 3.128 547 HB2 LYS 70 HB2 LYS 70 -2.597 16.973 4.075 548 HB3 LYS 70 HB3 LYS 70 -2.547 17.272 2.342 549 HG2 LYS 70 HG2 LYS 70 -4.882 18.024 2.416 550 HG3 LYS 70 HG3 LYS 70 -4.896 17.761 4.162 551 HD2 LYS 70 HD2 LYS 70 -2.940 19.363 4.285 552 HD3 LYS 70 HD3 LYS 70 -3.274 19.758 2.597 553 HE2 LYS 70 HE2 LYS 70 -5.636 20.287 3.326 554 HE3 LYS 70 HE3 LYS 70 -5.059 20.163 4.986 555 HZ1 LYS 70 HZ1 LYS 70 -3.782 22.043 4.778 556 HZ2 LYS 70 HZ2 LYS 70 -5.105 22.450 3.806 557 HZ3 LYS 70 HZ3 LYS 70 -3.663 21.928 3.094 558 H LEU 71 H LEU 71 -5.899 14.452 2.292 559 HA LEU 71 HA LEU 71 -7.141 14.947 4.902 560 HB2 LEU 71 HB2 LEU 71 -8.632 13.831 2.577 561 HB3 LEU 71 HB3 LEU 71 -9.200 14.875 3.877 562 HG LEU 71 HG LEU 71 -7.391 15.802 1.651 563 HD11 LEU 71 HD11 LEU 71 -10.384 16.057 1.904 564 HD12 LEU 71 HD12 LEU 71 -9.519 15.074 0.723 565 HD13 LEU 71 HD13 LEU 71 -9.382 16.832 0.678 566 HD21 LEU 71 HD21 LEU 71 -9.131 17.461 3.449 567 HD22 LEU 71 HD22 LEU 71 -7.781 17.974 2.437 568 HD23 LEU 71 HD23 LEU 71 -7.481 17.024 3.893 569 H GLN 72 H GLN 72 -8.941 13.092 5.264 570 HA GLN 72 HA GLN 72 -7.376 10.634 5.517 571 HB2 GLN 72 HB2 GLN 72 -9.888 11.601 6.880 572 HB3 GLN 72 HB3 GLN 72 -9.256 9.973 7.084 573 HG2 GLN 72 HG2 GLN 72 -7.127 10.979 7.898 574 HG3 GLN 72 HG3 GLN 72 -7.920 12.553 7.853 575 HE21 GLN 72 HE21 GLN 72 -10.311 12.210 8.877 576 HE22 GLN 72 HE22 GLN 72 -10.247 11.581 10.484 577 H VAL 73 H VAL 73 -9.163 8.672 5.682 578 HA VAL 73 HA VAL 73 -10.034 8.372 2.944 579 HB VAL 73 HB VAL 73 -10.254 6.462 5.276 580 HG11 VAL 73 HG11 VAL 73 -11.523 5.183 3.981 581 HG12 VAL 73 HG12 VAL 73 -11.476 6.406 2.710 582 HG13 VAL 73 HG13 VAL 73 -10.245 5.144 2.765 583 HG21 VAL 73 HG21 VAL 73 -8.430 5.388 3.589 584 HG22 VAL 73 HG22 VAL 73 -8.103 7.108 3.375 585 HG23 VAL 73 HG23 VAL 73 -8.022 6.389 4.983 586 H GLY 74 H GLY 74 -11.763 9.808 2.718 587 HA2 GLY 74 HA2 GLY 74 -14.136 9.804 2.476 588 HA3 GLY 74 HA3 GLY 74 -14.253 8.852 3.949 589 H GLU 75 H GLU 75 -12.146 11.603 3.853 590 HA GLU 75 HA GLU 75 -14.002 13.017 5.648 591 HB2 GLU 75 HB2 GLU 75 -11.675 12.276 6.455 592 HB3 GLU 75 HB3 GLU 75 -11.050 13.559 5.430 593 HG2 GLU 75 HG2 GLU 75 -11.235 14.351 7.687 594 HG3 GLU 75 HG3 GLU 75 -12.411 15.186 6.674 595 H VAL 76 H VAL 76 -14.016 15.370 5.538 596 HA VAL 76 HA VAL 76 -13.723 16.293 2.765 597 HB VAL 76 HB VAL 76 -15.359 17.498 5.001 598 HG11 VAL 76 HG11 VAL 76 -14.579 19.125 3.321 599 HG12 VAL 76 HG12 VAL 76 -15.328 18.150 2.055 600 HG13 VAL 76 HG13 VAL 76 -16.329 18.913 3.293 601 HG21 VAL 76 HG21 VAL 76 -16.131 15.263 4.172 602 HG22 VAL 76 HG22 VAL 76 -17.290 16.574 3.947 603 HG23 VAL 76 HG23 VAL 76 -16.337 15.994 2.581 604 H SER 77 H SER 77 -12.355 17.890 2.242 605 HA SER 77 HA SER 77 -10.442 18.790 4.155 606 HB2 SER 77 HB2 SER 77 -9.273 19.653 2.359 607 HB3 SER 77 HB3 SER 77 -10.256 18.442 1.537 608 HG SER 77 HG SER 77 -10.440 21.220 1.493 609 H GLU 78 H GLU 78 -9.972 21.425 3.480 610 HA GLU 78 HA GLU 78 -12.276 22.743 4.738 611 HB2 GLU 78 HB2 GLU 78 -10.468 24.594 5.085 612 HB3 GLU 78 HB3 GLU 78 -10.471 23.172 6.117 613 HG2 GLU 78 HG2 GLU 78 -8.719 22.167 4.750 614 HG3 GLU 78 HG3 GLU 78 -8.720 23.586 3.705 615 HA PRO 79 HA PRO 79 -13.149 25.254 1.250 616 HB2 PRO 79 HB2 PRO 79 -13.696 27.662 2.378 617 HB3 PRO 79 HB3 PRO 79 -14.781 26.273 2.508 618 HG2 PRO 79 HG2 PRO 79 -12.790 27.313 4.487 619 HG3 PRO 79 HG3 PRO 79 -14.444 26.736 4.762 620 HD2 PRO 79 HD2 PRO 79 -12.265 25.203 5.252 621 HD3 PRO 79 HD3 PRO 79 -13.812 24.519 4.713 622 H ILE 80 H ILE 80 -10.955 25.159 0.405 623 HA ILE 80 HA ILE 80 -9.063 27.204 1.088 624 HB ILE 80 HB ILE 80 -9.033 25.429 -1.352 625 HG12 ILE 80 HG12 ILE 80 -9.251 24.120 0.752 626 HG13 ILE 80 HG13 ILE 80 -7.715 23.850 -0.066 627 HG21 ILE 80 HG21 ILE 80 -7.056 27.211 -0.011 628 HG22 ILE 80 HG22 ILE 80 -6.485 25.766 -0.843 629 HG23 ILE 80 HG23 ILE 80 -7.393 26.991 -1.728 630 HD11 ILE 80 HD11 ILE 80 -8.181 25.596 2.339 631 HD12 ILE 80 HD12 ILE 80 -7.369 24.030 2.307 632 HD13 ILE 80 HD13 ILE 80 -6.643 25.417 1.496 633 H LYS 81 H LYS 81 -9.431 29.255 0.560 634 HA LYS 81 HA LYS 81 -11.078 30.028 -1.647 635 HB2 LYS 81 HB2 LYS 81 -10.942 31.360 0.420 636 HB3 LYS 81 HB3 LYS 81 -9.248 31.697 0.090 637 HG2 LYS 81 HG2 LYS 81 -9.919 33.528 -0.960 638 HG3 LYS 81 HG3 LYS 81 -10.571 32.480 -2.221 639 HD2 LYS 81 HD2 LYS 81 -12.418 33.747 -1.657 640 HD3 LYS 81 HD3 LYS 81 -12.636 32.321 -0.638 641 HE2 LYS 81 HE2 LYS 81 -13.047 34.237 0.715 642 HE3 LYS 81 HE3 LYS 81 -11.489 33.571 1.203 643 HZ1 LYS 81 HZ1 LYS 81 -10.875 35.370 -0.757 644 HZ2 LYS 81 HZ2 LYS 81 -10.701 35.613 0.907 645 HZ3 LYS 81 HZ3 LYS 81 -12.100 36.141 0.118 646 H SER 82 H SER 82 -10.459 30.035 -3.697 647 HA SER 82 HA SER 82 -7.724 30.879 -4.349 648 HB2 SER 82 HB2 SER 82 -8.930 28.738 -6.030 649 HB3 SER 82 HB3 SER 82 -7.239 29.033 -5.624 650 HG SER 82 HG SER 82 -9.008 28.246 -3.598 651 H GLU 83 H GLU 83 -7.792 30.750 -7.052 652 HA GLU 83 HA GLU 83 -9.206 33.054 -7.775 653 HB2 GLU 83 HB2 GLU 83 -8.619 32.435 -10.111 654 HB3 GLU 83 HB3 GLU 83 -7.249 32.383 -9.010 655 HG2 GLU 83 HG2 GLU 83 -7.679 29.897 -8.814 656 HG3 GLU 83 HG3 GLU 83 -8.776 30.082 -10.181 657 H PHE 84 H PHE 84 -10.156 29.732 -7.703 658 HA PHE 84 HA PHE 84 -12.538 30.253 -9.316 659 HB2 PHE 84 HB2 PHE 84 -11.723 27.633 -8.056 660 HB3 PHE 84 HB3 PHE 84 -12.867 27.886 -9.371 661 HD1 PHE 84 HD1 PHE 84 -11.601 29.465 -11.307 662 HD2 PHE 84 HD2 PHE 84 -9.840 26.547 -8.758 663 HE1 PHE 84 HE1 PHE 84 -9.794 29.132 -12.944 664 HE2 PHE 84 HE2 PHE 84 -8.029 26.210 -10.389 665 HZ PHE 84 HZ PHE 84 -8.005 27.502 -12.486 666 H GLY 85 H GLY 85 -11.529 29.969 -6.045 667 HA2 GLY 85 HA2 GLY 85 -13.208 30.996 -4.488 668 HA3 GLY 85 HA3 GLY 85 -14.353 29.858 -5.181 669 H TYR 86 H TYR 86 -14.770 29.013 -3.094 670 HA TYR 86 HA TYR 86 -12.652 27.842 -1.548 671 HB2 TYR 86 HB2 TYR 86 -15.660 27.673 -1.298 672 HB3 TYR 86 HB3 TYR 86 -14.534 26.963 -0.146 673 HD1 TYR 86 HD2 TYR 86 -12.591 28.821 0.514 674 HD2 TYR 86 HD1 TYR 86 -16.627 29.625 -0.568 675 HE1 TYR 86 HE2 TYR 86 -12.487 30.955 1.733 676 HE2 TYR 86 HE1 TYR 86 -16.533 31.762 0.647 677 HH TYR 86 HH TYR 86 -14.158 32.523 2.845 678 H HIS 87 H HIS 87 -11.765 25.922 -1.874 679 HA HIS 87 HA HIS 87 -13.139 23.996 -3.602 680 HB2 HIS 87 HB2 HIS 87 -10.258 24.275 -2.751 681 HB3 HIS 87 HB3 HIS 87 -10.861 22.866 -3.615 682 HD1 HIS 87 HD1 HIS 87 -11.282 23.106 -6.115 683 HD2 HIS 87 HD2 HIS 87 -10.177 26.666 -4.279 684 HE1 HIS 87 HE1 HIS 87 -10.809 24.712 -7.991 685 H ILE 88 H ILE 88 -14.123 22.295 -2.747 686 HA ILE 88 HA ILE 88 -13.375 21.465 -0.022 687 HB ILE 88 HB ILE 88 -16.011 21.104 -1.450 688 HG12 ILE 88 HG12 ILE 88 -15.555 23.423 -0.715 689 HG13 ILE 88 HG13 ILE 88 -16.887 22.694 0.176 690 HG21 ILE 88 HG21 ILE 88 -16.241 19.369 -0.058 691 HG22 ILE 88 HG22 ILE 88 -14.862 19.858 0.926 692 HG23 ILE 88 HG23 ILE 88 -16.444 20.586 1.202 693 HD11 ILE 88 HD11 ILE 88 -14.366 22.262 1.510 694 HD12 ILE 88 HD12 ILE 88 -14.679 23.977 1.236 695 HD13 ILE 88 HD13 ILE 88 -15.854 22.995 2.111 696 H ILE 89 H ILE 89 -11.716 20.065 -0.739 697 HA ILE 89 HA ILE 89 -12.345 17.907 -2.556 698 HB ILE 89 HB ILE 89 -9.872 18.151 -0.852 699 HG12 ILE 89 HG12 ILE 89 -9.190 19.054 -3.369 700 HG13 ILE 89 HG13 ILE 89 -10.769 19.788 -3.109 701 HG21 ILE 89 HG21 ILE 89 -9.157 16.355 -1.945 702 HG22 ILE 89 HG22 ILE 89 -10.772 16.196 -2.632 703 HG23 ILE 89 HG23 ILE 89 -9.528 17.091 -3.504 704 HD11 ILE 89 HD11 ILE 89 -9.554 20.299 -0.741 705 HD12 ILE 89 HD12 ILE 89 -8.190 20.365 -1.857 706 HD13 ILE 89 HD13 ILE 89 -9.591 21.404 -2.115 707 H LYS 90 H LYS 90 -13.047 15.941 -2.028 708 HA LYS 90 HA LYS 90 -12.812 15.058 0.768 709 HB2 LYS 90 HB2 LYS 90 -15.100 15.837 0.393 710 HB3 LYS 90 HB3 LYS 90 -15.245 14.782 -1.007 711 HG2 LYS 90 HG2 LYS 90 -14.732 12.879 0.659 712 HG3 LYS 90 HG3 LYS 90 -15.165 14.064 1.894 713 HD2 LYS 90 HD2 LYS 90 -17.363 14.230 1.139 714 HD3 LYS 90 HD3 LYS 90 -16.970 13.555 -0.444 715 HE2 LYS 90 HE2 LYS 90 -16.414 11.401 0.793 716 HE3 LYS 90 HE3 LYS 90 -17.205 12.126 2.191 717 HZ1 LYS 90 HZ1 LYS 90 -18.714 10.723 0.912 718 HZ2 LYS 90 HZ2 LYS 90 -18.475 11.685 -0.457 719 HZ3 LYS 90 HZ3 LYS 90 -19.229 12.335 0.910 720 H ARG 91 H ARG 91 -11.762 13.198 0.915 721 HA ARG 91 HA ARG 91 -11.067 11.658 -1.369 722 HB2 ARG 91 HB2 ARG 91 -9.580 11.791 0.551 723 HB3 ARG 91 HB3 ARG 91 -10.797 11.046 1.579 724 HG2 ARG 91 HG2 ARG 91 -10.445 8.954 0.718 725 HG3 ARG 91 HG3 ARG 91 -9.858 9.571 -0.828 726 HD2 ARG 91 HD2 ARG 91 -7.740 10.005 0.005 727 HD3 ARG 91 HD3 ARG 91 -8.300 10.065 1.676 728 HE ARG 91 HE ARG 91 -8.752 7.497 0.978 729 HH11 ARG 91 HH11 ARG 91 -5.963 9.568 0.752 730 HH12 ARG 91 HH12 ARG 91 -4.825 8.274 0.920 731 HH21 ARG 91 HH21 ARG 91 -7.263 5.783 1.201 732 HH22 ARG 91 HH22 ARG 91 -5.566 6.120 1.175 733 H PHE 92 H PHE 92 -11.722 9.597 -1.981 734 HA PHE 92 HA PHE 92 -14.236 8.658 -0.763 735 HB2 PHE 92 HB2 PHE 92 -13.469 9.035 -3.620 736 HB3 PHE 92 HB3 PHE 92 -14.514 7.675 -3.220 737 HD1 PHE 92 HD1 PHE 92 -14.287 11.241 -2.131 738 HD2 PHE 92 HD2 PHE 92 -16.714 8.101 -3.666 739 HE1 PHE 92 HE1 PHE 92 -16.232 12.746 -2.122 740 HE2 PHE 92 HE2 PHE 92 -18.665 9.601 -3.661 741 HZ PHE 92 HZ PHE 92 -18.426 11.927 -2.887 742 H GLY 93 H GLY 93 -11.140 7.823 -2.151 743 HA2 GLY 93 HA2 GLY 93 -11.343 5.078 -2.408 744 HA3 GLY 93 HA3 GLY 93 -9.868 5.921 -1.959 Start of MODEL 8 1 H1 GLY 1 H GLY 1 1.909 -2.645 -1.225 2 HA2 GLY 1 HA2 GLY 1 3.371 -2.326 -3.136 3 HA3 GLY 1 HA3 GLY 1 1.939 -2.289 -4.154 4 HA PRO 2 HA PRO 2 3.372 2.048 -2.905 5 HB2 PRO 2 HB2 PRO 2 4.216 2.855 -5.355 6 HB3 PRO 2 HB3 PRO 2 5.281 2.069 -4.184 7 HG2 PRO 2 HG2 PRO 2 3.868 0.894 -6.547 8 HG3 PRO 2 HG3 PRO 2 5.530 0.627 -5.991 9 HD2 PRO 2 HD2 PRO 2 3.527 -1.127 -5.493 10 HD3 PRO 2 HD3 PRO 2 4.879 -0.877 -4.370 11 H SER 3 H SER 3 2.528 4.102 -3.849 12 HA SER 3 HA SER 3 0.126 3.695 -5.494 13 HB2 SER 3 HB2 SER 3 -0.446 3.857 -3.042 14 HB3 SER 3 HB3 SER 3 0.200 5.498 -3.066 15 HG SER 3 HG SER 3 -2.205 4.975 -3.519 16 H ASN 4 H ASN 4 -0.693 5.711 -6.461 17 HA ASN 4 HA ASN 4 1.274 7.864 -6.667 18 HB2 ASN 4 HB2 ASN 4 1.786 6.288 -8.501 19 HB3 ASN 4 HB3 ASN 4 0.129 6.440 -9.080 20 HD21 ASN 4 HD21 ASN 4 2.622 8.721 -7.990 21 HD22 ASN 4 HD22 ASN 4 2.534 9.743 -9.380 22 H LYS 5 H LYS 5 -1.935 6.653 -7.534 23 HA LYS 5 HA LYS 5 -2.929 9.425 -7.406 24 HB2 LYS 5 HB2 LYS 5 -4.871 8.133 -8.796 25 HB3 LYS 5 HB3 LYS 5 -3.550 9.026 -9.539 26 HG2 LYS 5 HG2 LYS 5 -2.270 6.959 -9.757 27 HG3 LYS 5 HG3 LYS 5 -3.590 6.061 -9.006 28 HD2 LYS 5 HD2 LYS 5 -4.122 5.710 -11.193 29 HD3 LYS 5 HD3 LYS 5 -4.975 7.235 -10.948 30 HE2 LYS 5 HE2 LYS 5 -3.838 7.762 -12.848 31 HE3 LYS 5 HE3 LYS 5 -2.621 8.227 -11.661 32 HZ1 LYS 5 HZ1 LYS 5 -2.703 5.541 -12.907 33 HZ2 LYS 5 HZ2 LYS 5 -1.442 6.233 -12.017 34 HZ3 LYS 5 HZ3 LYS 5 -1.814 6.825 -13.557 35 H ILE 6 H ILE 6 -5.124 9.680 -6.606 36 HA ILE 6 HA ILE 6 -6.201 7.458 -5.054 37 HB ILE 6 HB ILE 6 -6.423 8.832 -3.020 38 HG12 ILE 6 HG12 ILE 6 -4.358 10.740 -3.993 39 HG13 ILE 6 HG13 ILE 6 -6.008 10.984 -4.554 40 HG21 ILE 6 HG21 ILE 6 -3.537 8.660 -3.853 41 HG22 ILE 6 HG22 ILE 6 -4.207 8.516 -2.228 42 HG23 ILE 6 HG23 ILE 6 -4.508 7.253 -3.421 43 HD11 ILE 6 HD11 ILE 6 -4.839 11.350 -1.877 44 HD12 ILE 6 HD12 ILE 6 -6.127 12.239 -2.692 45 HD13 ILE 6 HD13 ILE 6 -6.471 10.684 -1.937 46 H LYS 7 H LYS 7 -8.391 7.714 -4.459 47 HA LYS 7 HA LYS 7 -9.915 9.282 -6.299 48 HB2 LYS 7 HB2 LYS 7 -10.369 7.055 -4.591 49 HB3 LYS 7 HB3 LYS 7 -11.547 8.291 -4.172 50 HG2 LYS 7 HG2 LYS 7 -11.795 8.382 -6.821 51 HG3 LYS 7 HG3 LYS 7 -11.252 6.711 -6.653 52 HD2 LYS 7 HD2 LYS 7 -13.359 6.170 -6.175 53 HD3 LYS 7 HD3 LYS 7 -13.171 7.051 -4.658 54 HE2 LYS 7 HE2 LYS 7 -14.047 9.047 -5.622 55 HE3 LYS 7 HE3 LYS 7 -14.002 8.354 -7.243 56 HZ1 LYS 7 HZ1 LYS 7 -16.225 8.430 -5.987 57 HZ2 LYS 7 HZ2 LYS 7 -15.629 7.098 -5.131 58 HZ3 LYS 7 HZ3 LYS 7 -15.813 7.011 -6.811 59 H CYS 8 H CYS 8 -11.289 11.013 -5.878 60 HA CYS 8 HA CYS 8 -11.803 12.136 -3.371 61 HB2 CYS 8 HB2 CYS 8 -10.330 14.157 -3.518 62 HB3 CYS 8 HB3 CYS 8 -9.463 12.658 -3.208 63 HG CYS 8 HG CYS 8 -8.903 14.850 -5.522 64 H SER 9 H SER 9 -12.907 14.198 -3.505 65 HA SER 9 HA SER 9 -13.903 14.748 -6.225 66 HB2 SER 9 HB2 SER 9 -15.418 15.164 -3.639 67 HB3 SER 9 HB3 SER 9 -16.052 15.297 -5.279 68 HG SER 9 HG SER 9 -16.616 13.297 -4.467 69 H HIS 10 H HIS 10 -15.316 17.049 -5.726 70 HA HIS 10 HA HIS 10 -13.866 19.001 -4.272 71 HB2 HIS 10 HB2 HIS 10 -12.923 20.273 -6.141 72 HB3 HIS 10 HB3 HIS 10 -12.220 18.660 -6.066 73 HD1 HIS 10 HD1 HIS 10 -13.647 20.974 -8.393 74 HD2 HIS 10 HD2 HIS 10 -13.606 16.838 -8.002 75 HE1 HIS 10 HE1 HIS 10 -14.250 20.078 -10.665 76 H ILE 11 H ILE 11 -14.908 20.996 -4.237 77 HA ILE 11 HA ILE 11 -17.189 21.413 -6.003 78 HB ILE 11 HB ILE 11 -17.454 21.252 -3.001 79 HG12 ILE 11 HG12 ILE 11 -18.918 19.773 -5.195 80 HG13 ILE 11 HG13 ILE 11 -17.573 19.111 -4.273 81 HG21 ILE 11 HG21 ILE 11 -19.387 22.288 -5.065 82 HG22 ILE 11 HG22 ILE 11 -19.826 21.898 -3.403 83 HG23 ILE 11 HG23 ILE 11 -18.666 23.185 -3.729 84 HD11 ILE 11 HD11 ILE 11 -20.238 19.956 -3.161 85 HD12 ILE 11 HD12 ILE 11 -19.689 18.301 -3.425 86 HD13 ILE 11 HD13 ILE 11 -18.888 19.314 -2.224 87 H LEU 12 H LEU 12 -17.204 23.456 -6.649 88 HA LEU 12 HA LEU 12 -15.734 25.444 -5.068 89 HB2 LEU 12 HB2 LEU 12 -16.316 25.083 -7.950 90 HB3 LEU 12 HB3 LEU 12 -16.217 26.738 -7.354 91 HG LEU 12 HG LEU 12 -14.095 26.056 -8.289 92 HD11 LEU 12 HD11 LEU 12 -13.626 25.997 -5.341 93 HD12 LEU 12 HD12 LEU 12 -14.334 27.426 -6.092 94 HD13 LEU 12 HD13 LEU 12 -12.745 26.858 -6.603 95 HD21 LEU 12 HD21 LEU 12 -13.518 24.061 -6.205 96 HD22 LEU 12 HD22 LEU 12 -13.067 24.090 -7.910 97 HD23 LEU 12 HD23 LEU 12 -14.680 23.559 -7.433 98 H VAL 13 H VAL 13 -16.670 27.302 -4.341 99 HA VAL 13 HA VAL 13 -19.457 27.850 -5.051 100 HB VAL 13 HB VAL 13 -20.118 28.155 -2.726 101 HG11 VAL 13 HG11 VAL 13 -18.878 25.431 -3.079 102 HG12 VAL 13 HG12 VAL 13 -20.274 25.850 -2.084 103 HG13 VAL 13 HG13 VAL 13 -20.383 25.944 -3.842 104 HG21 VAL 13 HG21 VAL 13 -17.848 28.736 -1.888 105 HG22 VAL 13 HG22 VAL 13 -18.703 27.569 -0.877 106 HG23 VAL 13 HG23 VAL 13 -17.428 27.024 -1.968 107 H SER 14 H SER 14 -20.124 29.959 -3.737 108 HA SER 14 HA SER 14 -17.905 31.875 -4.048 109 HB2 SER 14 HB2 SER 14 -19.867 33.526 -4.496 110 HB3 SER 14 HB3 SER 14 -19.367 32.431 -5.785 111 HG SER 14 HG SER 14 -21.574 32.131 -4.028 112 H LYS 15 H LYS 15 -19.355 30.341 -1.722 113 HA LYS 15 HA LYS 15 -19.235 32.614 0.109 114 HB2 LYS 15 HB2 LYS 15 -21.555 30.674 0.046 115 HB3 LYS 15 HB3 LYS 15 -21.315 31.952 1.231 116 HG2 LYS 15 HG2 LYS 15 -21.638 32.451 -1.717 117 HG3 LYS 15 HG3 LYS 15 -22.971 32.473 -0.559 118 HD2 LYS 15 HD2 LYS 15 -20.515 34.221 -0.409 119 HD3 LYS 15 HD3 LYS 15 -22.079 34.728 -1.051 120 HE2 LYS 15 HE2 LYS 15 -23.034 34.033 1.214 121 HE3 LYS 15 HE3 LYS 15 -21.363 33.989 1.771 122 HZ1 LYS 15 HZ1 LYS 15 -23.056 36.253 1.224 123 HZ2 LYS 15 HZ2 LYS 15 -21.511 36.387 0.550 124 HZ3 LYS 15 HZ3 LYS 15 -21.689 36.139 2.214 125 H GLN 16 H GLN 16 -18.816 32.036 2.290 126 HA GLN 16 HA GLN 16 -17.157 29.745 2.571 127 HB2 GLN 16 HB2 GLN 16 -18.030 31.989 4.300 128 HB3 GLN 16 HB3 GLN 16 -17.494 30.530 5.122 129 HG2 GLN 16 HG2 GLN 16 -15.468 30.756 3.447 130 HG3 GLN 16 HG3 GLN 16 -15.960 32.448 3.460 131 HE21 GLN 16 HE21 GLN 16 -15.345 33.695 5.106 132 HE22 GLN 16 HE22 GLN 16 -14.559 33.136 6.538 133 H SER 17 H SER 17 -20.392 30.579 3.746 134 HA SER 17 HA SER 17 -20.754 28.189 5.241 135 HB2 SER 17 HB2 SER 17 -23.008 29.828 4.099 136 HB3 SER 17 HB3 SER 17 -22.961 28.926 5.614 137 HG SER 17 HG SER 17 -22.427 30.774 6.453 138 H GLU 18 H GLU 18 -20.931 28.927 1.906 139 HA GLU 18 HA GLU 18 -22.759 26.828 1.191 140 HB2 GLU 18 HB2 GLU 18 -21.053 28.775 -0.296 141 HB3 GLU 18 HB3 GLU 18 -21.642 27.355 -1.148 142 HG2 GLU 18 HG2 GLU 18 -23.943 27.972 -0.546 143 HG3 GLU 18 HG3 GLU 18 -23.328 29.424 0.242 144 H ALA 19 H ALA 19 -19.263 27.240 1.304 145 HA ALA 19 HA ALA 19 -18.775 24.624 0.161 146 HB1 ALA 19 HB1 ALA 19 -17.275 27.003 0.497 147 HB2 ALA 19 HB2 ALA 19 -16.426 25.707 1.341 148 HB3 ALA 19 HB3 ALA 19 -16.823 25.532 -0.368 149 H LEU 20 H LEU 20 -18.757 26.160 3.321 150 HA LEU 20 HA LEU 20 -17.635 23.865 4.652 151 HB2 LEU 20 HB2 LEU 20 -17.492 26.351 5.336 152 HB3 LEU 20 HB3 LEU 20 -19.098 26.096 6.015 153 HG LEU 20 HG LEU 20 -17.818 24.066 7.194 154 HD11 LEU 20 HD11 LEU 20 -15.710 26.147 6.658 155 HD12 LEU 20 HD12 LEU 20 -15.665 24.433 6.250 156 HD13 LEU 20 HD13 LEU 20 -15.591 24.939 7.937 157 HD21 LEU 20 HD21 LEU 20 -19.103 25.773 8.339 158 HD22 LEU 20 HD22 LEU 20 -17.801 26.942 8.107 159 HD23 LEU 20 HD23 LEU 20 -17.553 25.537 9.147 160 H ALA 21 H ALA 21 -20.577 24.429 3.315 161 HA ALA 21 HA ALA 21 -22.227 23.266 5.385 162 HB1 ALA 21 HB1 ALA 21 -22.709 24.316 2.634 163 HB2 ALA 21 HB2 ALA 21 -23.912 23.268 3.388 164 HB3 ALA 21 HB3 ALA 21 -23.451 24.783 4.165 165 H ILE 22 H ILE 22 -20.318 22.159 2.758 166 HA ILE 22 HA ILE 22 -21.727 19.709 2.294 167 HB ILE 22 HB ILE 22 -18.899 20.483 1.569 168 HG12 ILE 22 HG12 ILE 22 -20.392 20.377 -0.744 169 HG13 ILE 22 HG13 ILE 22 -21.528 21.068 0.409 170 HG21 ILE 22 HG21 ILE 22 -20.523 18.047 1.077 171 HG22 ILE 22 HG22 ILE 22 -19.481 18.622 -0.223 172 HG23 ILE 22 HG23 ILE 22 -18.789 18.217 1.347 173 HD11 ILE 22 HD11 ILE 22 -20.130 22.912 0.827 174 HD12 ILE 22 HD12 ILE 22 -18.756 22.150 0.025 175 HD13 ILE 22 HD13 ILE 22 -20.140 22.695 -0.922 176 H MET 23 H MET 23 -19.435 20.799 4.605 177 HA MET 23 HA MET 23 -18.659 18.081 5.343 178 HB2 MET 23 HB2 MET 23 -17.066 19.139 6.857 179 HB3 MET 23 HB3 MET 23 -16.901 19.794 5.233 180 HG2 MET 23 HG2 MET 23 -18.007 21.805 5.844 181 HG3 MET 23 HG3 MET 23 -18.489 21.136 7.401 182 HE1 MET 23 HE1 MET 23 -16.415 20.914 9.595 183 HE2 MET 23 HE2 MET 23 -16.144 22.657 9.609 184 HE3 MET 23 HE3 MET 23 -17.735 22.015 9.198 185 H GLU 24 H GLU 24 -21.050 20.304 6.073 186 HA GLU 24 HA GLU 24 -21.423 19.208 8.779 187 HB2 GLU 24 HB2 GLU 24 -22.553 21.165 9.394 188 HB3 GLU 24 HB3 GLU 24 -21.215 21.740 8.409 189 HG2 GLU 24 HG2 GLU 24 -22.859 21.719 6.463 190 HG3 GLU 24 HG3 GLU 24 -24.117 21.547 7.686 191 H LYS 25 H LYS 25 -22.879 19.641 5.640 192 HA LYS 25 HA LYS 25 -25.500 18.786 6.385 193 HB2 LYS 25 HB2 LYS 25 -24.892 20.170 4.350 194 HB3 LYS 25 HB3 LYS 25 -24.287 18.687 3.624 195 HG2 LYS 25 HG2 LYS 25 -26.357 18.543 2.783 196 HG3 LYS 25 HG3 LYS 25 -26.759 17.899 4.375 197 HD2 LYS 25 HD2 LYS 25 -27.240 20.281 5.075 198 HD3 LYS 25 HD3 LYS 25 -27.116 20.714 3.368 199 HE2 LYS 25 HE2 LYS 25 -28.852 18.862 2.982 200 HE3 LYS 25 HE3 LYS 25 -29.129 18.945 4.722 201 HZ1 LYS 25 HZ1 LYS 25 -30.577 20.368 3.187 202 HZ2 LYS 25 HZ2 LYS 25 -29.230 21.382 3.063 203 HZ3 LYS 25 HZ3 LYS 25 -29.935 21.096 4.574 204 H LEU 26 H LEU 26 -22.867 17.193 4.582 205 HA LEU 26 HA LEU 26 -24.065 14.699 4.304 206 HB2 LEU 26 HB2 LEU 26 -21.127 15.249 4.686 207 HB3 LEU 26 HB3 LEU 26 -21.839 13.822 3.936 208 HG LEU 26 HG LEU 26 -21.959 16.629 2.833 209 HD11 LEU 26 HD11 LEU 26 -19.964 16.239 1.957 210 HD12 LEU 26 HD12 LEU 26 -20.611 14.824 1.127 211 HD13 LEU 26 HD13 LEU 26 -19.907 14.657 2.735 212 HD21 LEU 26 HD21 LEU 26 -22.596 15.041 0.777 213 HD22 LEU 26 HD22 LEU 26 -23.800 15.739 1.861 214 HD23 LEU 26 HD23 LEU 26 -23.259 14.077 2.096 215 H LYS 27 H LYS 27 -22.625 16.186 7.072 216 HA LYS 27 HA LYS 27 -21.910 13.993 8.615 217 HB2 LYS 27 HB2 LYS 27 -21.446 16.325 9.247 218 HB3 LYS 27 HB3 LYS 27 -23.158 16.584 9.549 219 HG2 LYS 27 HG2 LYS 27 -23.150 15.272 11.462 220 HG3 LYS 27 HG3 LYS 27 -21.661 14.442 11.003 221 HD2 LYS 27 HD2 LYS 27 -20.656 16.873 11.168 222 HD3 LYS 27 HD3 LYS 27 -22.044 17.133 12.227 223 HE2 LYS 27 HE2 LYS 27 -21.344 15.389 13.694 224 HE3 LYS 27 HE3 LYS 27 -20.102 14.856 12.564 225 HZ1 LYS 27 HZ1 LYS 27 -18.777 16.678 13.034 226 HZ2 LYS 27 HZ2 LYS 27 -19.409 16.287 14.552 227 HZ3 LYS 27 HZ3 LYS 27 -20.051 17.586 13.678 228 H SER 28 H SER 28 -25.051 15.177 7.758 229 HA SER 28 HA SER 28 -26.443 13.715 9.817 230 HB2 SER 28 HB2 SER 28 -27.468 15.748 9.051 231 HB3 SER 28 HB3 SER 28 -27.404 15.213 7.372 232 HG SER 28 HG SER 28 -29.442 14.966 8.802 233 H GLY 29 H GLY 29 -25.406 13.167 6.548 234 HA2 GLY 29 HA2 GLY 29 -25.172 10.716 6.063 235 HA3 GLY 29 HA3 GLY 29 -26.854 10.591 6.552 236 H GLU 30 H GLU 30 -25.390 13.129 4.577 237 HA GLU 30 HA GLU 30 -27.322 12.504 2.470 238 HB2 GLU 30 HB2 GLU 30 -25.496 14.891 2.489 239 HB3 GLU 30 HB3 GLU 30 -27.055 14.705 1.696 240 HG2 GLU 30 HG2 GLU 30 -26.522 15.046 4.634 241 HG3 GLU 30 HG3 GLU 30 -27.338 16.168 3.546 242 H LYS 31 H LYS 31 -26.095 13.560 0.265 243 HA LYS 31 HA LYS 31 -23.786 11.767 -0.118 244 HB2 LYS 31 HB2 LYS 31 -26.122 11.415 -1.346 245 HB3 LYS 31 HB3 LYS 31 -25.451 12.617 -2.439 246 HG2 LYS 31 HG2 LYS 31 -23.680 11.228 -3.067 247 HG3 LYS 31 HG3 LYS 31 -23.915 10.156 -1.685 248 HD2 LYS 31 HD2 LYS 31 -24.825 8.927 -3.423 249 HD3 LYS 31 HD3 LYS 31 -26.246 9.724 -2.745 250 HE2 LYS 31 HE2 LYS 31 -26.398 11.230 -4.507 251 HE3 LYS 31 HE3 LYS 31 -24.713 11.003 -4.973 252 HZ1 LYS 31 HZ1 LYS 31 -26.862 9.819 -6.143 253 HZ2 LYS 31 HZ2 LYS 31 -26.245 8.591 -5.157 254 HZ3 LYS 31 HZ3 LYS 31 -25.251 9.327 -6.311 255 H PHE 32 H PHE 32 -21.943 12.640 -0.840 256 HA PHE 32 HA PHE 32 -21.481 15.369 -0.862 257 HB2 PHE 32 HB2 PHE 32 -19.703 13.673 -0.667 258 HB3 PHE 32 HB3 PHE 32 -19.934 13.243 -2.359 259 HD1 PHE 32 HD1 PHE 32 -19.444 14.964 -4.122 260 HD2 PHE 32 HD2 PHE 32 -18.327 15.464 -0.045 261 HE1 PHE 32 HE1 PHE 32 -17.816 16.687 -4.782 262 HE2 PHE 32 HE2 PHE 32 -16.699 17.188 -0.699 263 HZ PHE 32 HZ PHE 32 -16.440 17.801 -3.071 264 H GLY 33 H GLY 33 -21.981 13.206 -3.645 265 HA2 GLY 33 HA2 GLY 33 -21.712 15.101 -5.671 266 HA3 GLY 33 HA3 GLY 33 -22.681 13.639 -5.787 267 H LYS 34 H LYS 34 -24.476 14.366 -3.630 268 HA LYS 34 HA LYS 34 -26.479 15.656 -5.072 269 HB2 LYS 34 HB2 LYS 34 -26.533 14.246 -2.846 270 HB3 LYS 34 HB3 LYS 34 -26.438 15.830 -2.085 271 HG2 LYS 34 HG2 LYS 34 -28.475 15.449 -4.203 272 HG3 LYS 34 HG3 LYS 34 -28.746 14.660 -2.647 273 HD2 LYS 34 HD2 LYS 34 -28.075 17.066 -1.745 274 HD3 LYS 34 HD3 LYS 34 -28.673 17.550 -3.333 275 HE2 LYS 34 HE2 LYS 34 -30.816 16.639 -2.904 276 HE3 LYS 34 HE3 LYS 34 -30.244 15.783 -1.473 277 HZ1 LYS 34 HZ1 LYS 34 -31.524 17.794 -0.943 278 HZ2 LYS 34 HZ2 LYS 34 -30.365 18.739 -1.734 279 HZ3 LYS 34 HZ3 LYS 34 -29.943 17.868 -0.347 280 H LEU 35 H LEU 35 -23.851 16.958 -3.250 281 HA LEU 35 HA LEU 35 -25.019 19.651 -3.392 282 HB2 LEU 35 HB2 LEU 35 -22.499 19.005 -1.922 283 HB3 LEU 35 HB3 LEU 35 -23.662 20.297 -1.629 284 HG LEU 35 HG LEU 35 -23.997 17.375 -0.961 285 HD11 LEU 35 HD11 LEU 35 -23.673 19.841 0.738 286 HD12 LEU 35 HD12 LEU 35 -22.543 18.496 0.586 287 HD13 LEU 35 HD13 LEU 35 -24.111 18.247 1.354 288 HD21 LEU 35 HD21 LEU 35 -25.925 19.644 -1.050 289 HD22 LEU 35 HD22 LEU 35 -26.074 18.449 0.239 290 HD23 LEU 35 HD23 LEU 35 -26.163 17.941 -1.448 291 H ALA 36 H ALA 36 -22.560 17.617 -4.670 292 HA ALA 36 HA ALA 36 -20.851 19.720 -5.621 293 HB1 ALA 36 HB1 ALA 36 -19.551 18.028 -6.616 294 HB2 ALA 36 HB2 ALA 36 -20.154 17.333 -5.111 295 HB3 ALA 36 HB3 ALA 36 -20.903 16.895 -6.646 296 H LYS 37 H LYS 37 -23.768 18.300 -6.679 297 HA LYS 37 HA LYS 37 -23.362 19.087 -9.462 298 HB2 LYS 37 HB2 LYS 37 -24.444 16.899 -8.851 299 HB3 LYS 37 HB3 LYS 37 -25.802 17.817 -8.212 300 HG2 LYS 37 HG2 LYS 37 -25.160 18.644 -10.900 301 HG3 LYS 37 HG3 LYS 37 -25.467 16.908 -10.813 302 HD2 LYS 37 HD2 LYS 37 -27.318 18.823 -9.452 303 HD3 LYS 37 HD3 LYS 37 -27.446 18.562 -11.193 304 HE2 LYS 37 HE2 LYS 37 -28.184 16.421 -10.957 305 HE3 LYS 37 HE3 LYS 37 -27.282 16.159 -9.465 306 HZ1 LYS 37 HZ1 LYS 37 -29.553 16.207 -8.890 307 HZ2 LYS 37 HZ2 LYS 37 -29.849 17.601 -9.802 308 HZ3 LYS 37 HZ3 LYS 37 -28.925 17.696 -8.388 309 H GLU 38 H GLU 38 -24.134 20.666 -6.748 310 HA GLU 38 HA GLU 38 -25.886 22.542 -8.182 311 HB2 GLU 38 HB2 GLU 38 -26.686 22.967 -5.647 312 HB3 GLU 38 HB3 GLU 38 -27.494 21.853 -6.741 313 HG2 GLU 38 HG2 GLU 38 -26.285 19.988 -5.796 314 HG3 GLU 38 HG3 GLU 38 -25.369 21.078 -4.755 315 H LEU 39 H LEU 39 -23.885 22.204 -5.251 316 HA LEU 39 HA LEU 39 -23.364 24.967 -4.979 317 HB2 LEU 39 HB2 LEU 39 -21.807 22.590 -3.971 318 HB3 LEU 39 HB3 LEU 39 -21.561 24.256 -3.452 319 HG LEU 39 HG LEU 39 -24.104 22.686 -3.039 320 HD11 LEU 39 HD11 LEU 39 -22.012 23.401 -0.996 321 HD12 LEU 39 HD12 LEU 39 -22.120 21.826 -1.779 322 HD13 LEU 39 HD13 LEU 39 -23.447 22.400 -0.771 323 HD21 LEU 39 HD21 LEU 39 -23.380 25.482 -2.732 324 HD22 LEU 39 HD22 LEU 39 -23.978 24.771 -1.232 325 HD23 LEU 39 HD23 LEU 39 -24.966 24.712 -2.694 326 H SER 40 H SER 40 -21.380 22.320 -6.297 327 HA SER 40 HA SER 40 -19.122 23.742 -6.986 328 HB2 SER 40 HB2 SER 40 -19.888 21.174 -7.313 329 HB3 SER 40 HB3 SER 40 -20.031 21.740 -8.977 330 HG SER 40 HG SER 40 -17.880 20.914 -7.998 331 H ILE 41 H ILE 41 -19.217 25.693 -7.928 332 HA ILE 41 HA ILE 41 -21.111 26.358 -9.966 333 HB ILE 41 HB ILE 41 -19.790 28.466 -10.175 334 HG12 ILE 41 HG12 ILE 41 -18.232 27.701 -7.750 335 HG13 ILE 41 HG13 ILE 41 -17.672 27.103 -9.308 336 HG21 ILE 41 HG21 ILE 41 -21.665 28.135 -8.556 337 HG22 ILE 41 HG22 ILE 41 -20.457 27.781 -7.320 338 HG23 ILE 41 HG23 ILE 41 -20.499 29.371 -8.083 339 HD11 ILE 41 HD11 ILE 41 -18.119 29.750 -9.823 340 HD12 ILE 41 HD12 ILE 41 -17.521 29.771 -8.163 341 HD13 ILE 41 HD13 ILE 41 -16.559 29.022 -9.438 342 H ASP 42 H ASP 42 -17.961 24.976 -9.931 343 HA ASP 42 HA ASP 42 -17.012 25.745 -12.452 344 HB2 ASP 42 HB2 ASP 42 -15.551 24.670 -10.848 345 HB3 ASP 42 HB3 ASP 42 -16.532 23.206 -10.882 346 H SER 43 H SER 43 -18.097 25.522 -14.295 347 HA SER 43 HA SER 43 -20.219 23.843 -14.819 348 HB2 SER 43 HB2 SER 43 -18.191 25.098 -16.666 349 HB3 SER 43 HB3 SER 43 -19.557 24.164 -17.273 350 HG SER 43 HG SER 43 -20.948 25.632 -16.274 351 H GLY 44 H GLY 44 -16.779 23.199 -15.085 352 HA2 GLY 44 HA2 GLY 44 -17.271 20.582 -16.283 353 HA3 GLY 44 HA3 GLY 44 -15.700 21.317 -15.995 354 H SER 45 H SER 45 -18.441 20.642 -13.827 355 HA SER 45 HA SER 45 -17.065 18.523 -12.482 356 HB2 SER 45 HB2 SER 45 -16.552 19.557 -10.426 357 HB3 SER 45 HB3 SER 45 -15.976 20.698 -11.641 358 HG SER 45 HG SER 45 -18.356 20.833 -10.110 359 H ALA 46 H ALA 46 -19.595 20.994 -12.246 360 HA ALA 46 HA ALA 46 -21.282 19.661 -10.457 361 HB1 ALA 46 HB1 ALA 46 -21.332 22.075 -11.696 362 HB2 ALA 46 HB2 ALA 46 -22.638 21.232 -12.529 363 HB3 ALA 46 HB3 ALA 46 -22.672 21.394 -10.774 364 H LYS 47 H LYS 47 -20.536 18.979 -13.719 365 HA LYS 47 HA LYS 47 -22.984 17.529 -14.260 366 HB2 LYS 47 HB2 LYS 47 -21.968 18.656 -16.122 367 HB3 LYS 47 HB3 LYS 47 -20.422 17.872 -15.820 368 HG2 LYS 47 HG2 LYS 47 -21.525 16.871 -17.724 369 HG3 LYS 47 HG3 LYS 47 -21.411 15.709 -16.399 370 HD2 LYS 47 HD2 LYS 47 -23.715 16.031 -15.831 371 HD3 LYS 47 HD3 LYS 47 -23.858 17.378 -16.964 372 HE2 LYS 47 HE2 LYS 47 -24.857 15.419 -17.942 373 HE3 LYS 47 HE3 LYS 47 -23.376 15.806 -18.818 374 HZ1 LYS 47 HZ1 LYS 47 -23.135 13.936 -16.598 375 HZ2 LYS 47 HZ2 LYS 47 -22.353 13.942 -18.098 376 HZ3 LYS 47 HZ3 LYS 47 -23.941 13.372 -17.973 377 H LYS 48 H LYS 48 -19.889 16.902 -12.918 378 HA LYS 48 HA LYS 48 -20.405 14.002 -13.049 379 HB2 LYS 48 HB2 LYS 48 -17.877 13.845 -12.601 380 HB3 LYS 48 HB3 LYS 48 -18.399 14.304 -14.216 381 HG2 LYS 48 HG2 LYS 48 -17.850 16.468 -12.259 382 HG3 LYS 48 HG3 LYS 48 -16.481 15.595 -12.952 383 HD2 LYS 48 HD2 LYS 48 -18.192 16.157 -15.099 384 HD3 LYS 48 HD3 LYS 48 -18.138 17.633 -14.131 385 HE2 LYS 48 HE2 LYS 48 -16.351 17.879 -15.605 386 HE3 LYS 48 HE3 LYS 48 -15.590 17.287 -14.129 387 HZ1 LYS 48 HZ1 LYS 48 -16.030 14.988 -15.295 388 HZ2 LYS 48 HZ2 LYS 48 -14.649 15.899 -15.641 389 HZ3 LYS 48 HZ3 LYS 48 -15.971 15.936 -16.695 390 H ASN 49 H ASN 49 -21.380 15.977 -11.085 391 HA ASN 49 HA ASN 49 -21.584 16.265 -8.833 392 HB2 ASN 49 HB2 ASN 49 -20.779 13.358 -8.985 393 HB3 ASN 49 HB3 ASN 49 -21.295 14.133 -7.490 394 HD21 ASN 49 HD21 ASN 49 -23.428 15.274 -7.630 395 HD22 ASN 49 HD22 ASN 49 -24.682 14.482 -8.516 396 H GLY 50 H GLY 50 -19.017 16.964 -10.006 397 HA2 GLY 50 HA2 GLY 50 -16.917 17.615 -9.343 398 HA3 GLY 50 HA3 GLY 50 -17.576 17.607 -7.713 399 H ASN 51 H ASN 51 -17.607 14.661 -9.518 400 HA ASN 51 HA ASN 51 -15.630 13.551 -7.669 401 HB2 ASN 51 HB2 ASN 51 -18.004 12.554 -8.205 402 HB3 ASN 51 HB3 ASN 51 -17.183 11.883 -9.611 403 HD21 ASN 51 HD21 ASN 51 -16.224 12.369 -6.231 404 HD22 ASN 51 HD22 ASN 51 -15.783 10.723 -5.943 405 H LEU 52 H LEU 52 -13.832 14.560 -8.775 406 HA LEU 52 HA LEU 52 -13.203 14.061 -11.478 407 HB2 LEU 52 HB2 LEU 52 -10.889 14.704 -10.805 408 HB3 LEU 52 HB3 LEU 52 -12.139 15.869 -10.372 409 HG LEU 52 HG LEU 52 -12.046 14.636 -8.055 410 HD11 LEU 52 HD11 LEU 52 -10.399 13.190 -7.723 411 HD12 LEU 52 HD12 LEU 52 -9.202 14.349 -8.301 412 HD13 LEU 52 HD13 LEU 52 -10.021 13.284 -9.443 413 HD21 LEU 52 HD21 LEU 52 -9.647 16.297 -8.397 414 HD22 LEU 52 HD22 LEU 52 -11.028 16.498 -7.317 415 HD23 LEU 52 HD23 LEU 52 -11.143 17.011 -9.001 416 H GLY 53 H GLY 53 -13.131 12.040 -8.751 417 HA2 GLY 53 HA2 GLY 53 -12.629 9.786 -8.629 418 HA3 GLY 53 HA3 GLY 53 -12.093 9.855 -10.302 419 H TYR 54 H TYR 54 -10.085 9.103 -10.402 420 HA TYR 54 HA TYR 54 -8.241 9.530 -8.199 421 HB2 TYR 54 HB2 TYR 54 -8.419 7.706 -10.505 422 HB3 TYR 54 HB3 TYR 54 -6.786 8.227 -10.105 423 HD1 TYR 54 HD1 TYR 54 -9.632 7.595 -7.795 424 HD2 TYR 54 HD2 TYR 54 -5.819 6.308 -9.179 425 HE1 TYR 54 HE1 TYR 54 -9.546 5.927 -5.989 426 HE2 TYR 54 HE2 TYR 54 -5.724 4.636 -7.377 427 HH TYR 54 HH TYR 54 -7.892 4.640 -4.748 428 H PHE 55 H PHE 55 -6.544 10.891 -8.199 429 HA PHE 55 HA PHE 55 -5.809 12.236 -10.699 430 HB2 PHE 55 HB2 PHE 55 -6.104 14.373 -9.890 431 HB3 PHE 55 HB3 PHE 55 -7.429 13.547 -9.077 432 HD1 PHE 55 HD2 PHE 55 -6.334 12.261 -6.822 433 HD2 PHE 55 HD1 PHE 55 -5.179 15.976 -8.548 434 HE1 PHE 55 HE2 PHE 55 -5.452 12.993 -4.645 435 HE2 PHE 55 HE1 PHE 55 -4.294 16.714 -6.374 436 HZ PHE 55 HZ PHE 55 -4.431 15.223 -4.419 437 H THR 56 H THR 56 -3.835 13.813 -10.044 438 HA THR 56 HA THR 56 -2.034 12.480 -8.179 439 HB THR 56 HB THR 56 -0.263 12.140 -9.743 440 HG1 THR 56 HG1 THR 56 -0.364 13.736 -11.214 441 HG21 THR 56 HG21 THR 56 -1.119 10.381 -11.059 442 HG22 THR 56 HG22 THR 56 -2.701 11.149 -11.203 443 HG23 THR 56 HG23 THR 56 -2.188 10.467 -9.660 444 H LYS 57 H LYS 57 0.237 13.702 -8.420 445 HA LYS 57 HA LYS 57 -0.376 16.473 -7.851 446 HB2 LYS 57 HB2 LYS 57 2.356 15.200 -7.836 447 HB3 LYS 57 HB3 LYS 57 1.820 16.624 -6.955 448 HG2 LYS 57 HG2 LYS 57 0.159 14.926 -5.846 449 HG3 LYS 57 HG3 LYS 57 1.363 13.745 -6.368 450 HD2 LYS 57 HD2 LYS 57 3.092 15.202 -5.230 451 HD3 LYS 57 HD3 LYS 57 1.742 16.091 -4.520 452 HE2 LYS 57 HE2 LYS 57 2.468 14.450 -2.938 453 HE3 LYS 57 HE3 LYS 57 0.908 13.939 -3.582 454 HZ1 LYS 57 HZ1 LYS 57 3.357 12.557 -3.615 455 HZ2 LYS 57 HZ2 LYS 57 2.879 12.843 -5.212 456 HZ3 LYS 57 HZ3 LYS 57 1.842 12.031 -4.152 457 H GLY 58 H GLY 58 -0.451 17.931 -9.425 458 HA2 GLY 58 HA2 GLY 58 1.036 19.196 -10.964 459 HA3 GLY 58 HA3 GLY 58 1.446 17.642 -11.673 460 H MET 59 H MET 59 -1.805 17.810 -10.781 461 HA MET 59 HA MET 59 -2.576 18.546 -13.528 462 HB2 MET 59 HB2 MET 59 -3.656 16.358 -11.756 463 HB3 MET 59 HB3 MET 59 -4.510 16.936 -13.181 464 HG2 MET 59 HG2 MET 59 -1.686 16.130 -13.534 465 HG3 MET 59 HG3 MET 59 -2.862 14.853 -13.229 466 HE1 MET 59 HE1 MET 59 -5.161 14.544 -15.600 467 HE2 MET 59 HE2 MET 59 -3.734 13.809 -16.331 468 HE3 MET 59 HE3 MET 59 -3.948 13.768 -14.581 469 H MET 60 H MET 60 -2.667 19.554 -10.440 470 HA MET 60 HA MET 60 -5.196 20.990 -10.863 471 HB2 MET 60 HB2 MET 60 -4.262 19.914 -8.198 472 HB3 MET 60 HB3 MET 60 -5.755 20.787 -8.510 473 HG2 MET 60 HG2 MET 60 -5.166 18.210 -9.907 474 HG3 MET 60 HG3 MET 60 -5.827 18.228 -8.274 475 HE1 MET 60 HE1 MET 60 -7.309 16.640 -10.041 476 HE2 MET 60 HE2 MET 60 -8.722 17.297 -10.866 477 HE3 MET 60 HE3 MET 60 -7.130 17.414 -11.616 478 H VAL 61 H VAL 61 -5.190 22.635 -8.703 479 HA VAL 61 HA VAL 61 -2.859 24.320 -9.251 480 HB VAL 61 HB VAL 61 -4.121 26.165 -8.361 481 HG11 VAL 61 HG11 VAL 61 -6.162 24.702 -9.982 482 HG12 VAL 61 HG12 VAL 61 -5.668 26.394 -10.063 483 HG13 VAL 61 HG13 VAL 61 -4.609 25.133 -10.698 484 HG21 VAL 61 HG21 VAL 61 -6.366 25.908 -7.454 485 HG22 VAL 61 HG22 VAL 61 -6.269 24.160 -7.666 486 HG23 VAL 61 HG23 VAL 61 -5.207 24.970 -6.514 487 H LYS 62 H LYS 62 -2.073 25.662 -7.367 488 HA LYS 62 HA LYS 62 -0.990 24.025 -5.393 489 HB2 LYS 62 HB2 LYS 62 0.215 25.963 -5.641 490 HB3 LYS 62 HB3 LYS 62 -1.221 26.966 -5.798 491 HG2 LYS 62 HG2 LYS 62 -0.020 27.456 -3.743 492 HG3 LYS 62 HG3 LYS 62 -1.619 26.791 -3.401 493 HD2 LYS 62 HD2 LYS 62 -0.526 24.549 -3.130 494 HD3 LYS 62 HD3 LYS 62 1.034 25.368 -3.245 495 HE2 LYS 62 HE2 LYS 62 0.735 25.289 -0.965 496 HE3 LYS 62 HE3 LYS 62 0.054 26.871 -1.346 497 HZ1 LYS 62 HZ1 LYS 62 -1.809 26.199 -0.387 498 HZ2 LYS 62 HZ2 LYS 62 -1.210 24.631 -0.174 499 HZ3 LYS 62 HZ3 LYS 62 -2.008 25.044 -1.608 500 HA PRO 63 HA PRO 63 -4.276 25.772 -2.311 501 HB2 PRO 63 HB2 PRO 63 -6.355 27.162 -3.366 502 HB3 PRO 63 HB3 PRO 63 -4.845 27.929 -2.862 503 HG2 PRO 63 HG2 PRO 63 -5.741 27.131 -5.604 504 HG3 PRO 63 HG3 PRO 63 -4.929 28.617 -5.082 505 HD2 PRO 63 HD2 PRO 63 -3.608 26.576 -6.274 506 HD3 PRO 63 HD3 PRO 63 -2.851 27.620 -5.054 507 H PHE 64 H PHE 64 -4.262 23.376 -3.768 508 HA PHE 64 HA PHE 64 -6.875 22.400 -3.195 509 HB2 PHE 64 HB2 PHE 64 -7.405 23.391 -5.353 510 HB3 PHE 64 HB3 PHE 64 -6.047 22.557 -6.100 511 HD1 PHE 64 HD2 PHE 64 -6.117 20.108 -6.400 512 HD2 PHE 64 HD1 PHE 64 -9.476 22.300 -4.978 513 HE1 PHE 64 HE2 PHE 64 -7.580 18.202 -6.929 514 HE2 PHE 64 HE1 PHE 64 -10.945 20.396 -5.503 515 HZ PHE 64 HZ PHE 64 -9.998 18.344 -6.480 516 H GLU 65 H GLU 65 -4.148 21.632 -5.367 517 HA GLU 65 HA GLU 65 -4.164 18.889 -5.090 518 HB2 GLU 65 HB2 GLU 65 -2.749 19.953 -6.722 519 HB3 GLU 65 HB3 GLU 65 -1.826 20.762 -5.464 520 HG2 GLU 65 HG2 GLU 65 -0.992 18.602 -4.684 521 HG3 GLU 65 HG3 GLU 65 -1.914 17.794 -5.950 522 H ASP 66 H ASP 66 -2.465 21.273 -3.082 523 HA ASP 66 HA ASP 66 -1.109 19.549 -1.389 524 HB2 ASP 66 HB2 ASP 66 -0.759 21.972 -1.379 525 HB3 ASP 66 HB3 ASP 66 -2.371 22.214 -0.709 526 H ALA 67 H ALA 67 -4.378 20.897 -0.982 527 HA ALA 67 HA ALA 67 -4.854 19.054 1.238 528 HB1 ALA 67 HB1 ALA 67 -7.058 20.358 1.354 529 HB2 ALA 67 HB2 ALA 67 -5.575 21.203 1.799 530 HB3 ALA 67 HB3 ALA 67 -6.303 21.474 0.216 531 H ALA 68 H ALA 68 -4.615 18.012 -1.440 532 HA ALA 68 HA ALA 68 -7.374 17.115 -1.949 533 HB1 ALA 68 HB1 ALA 68 -6.539 16.482 -4.209 534 HB2 ALA 68 HB2 ALA 68 -6.468 18.214 -3.873 535 HB3 ALA 68 HB3 ALA 68 -4.999 17.239 -3.800 536 H PHE 69 H PHE 69 -4.259 16.147 -0.918 537 HA PHE 69 HA PHE 69 -5.160 13.352 -0.848 538 HB2 PHE 69 HB2 PHE 69 -2.666 12.771 -1.222 539 HB3 PHE 69 HB3 PHE 69 -3.636 13.234 -2.618 540 HD1 PHE 69 HD2 PHE 69 -1.655 14.989 0.019 541 HD2 PHE 69 HD1 PHE 69 -2.566 14.582 -4.119 542 HE1 PHE 69 HE2 PHE 69 -0.037 16.767 -0.509 543 HE2 PHE 69 HE1 PHE 69 -0.949 16.357 -4.653 544 HZ PHE 69 HZ PHE 69 0.317 17.454 -2.846 545 H LYS 70 H LYS 70 -4.518 15.895 0.951 546 HA LYS 70 HA LYS 70 -2.862 14.549 2.953 547 HB2 LYS 70 HB2 LYS 70 -2.386 16.624 3.845 548 HB3 LYS 70 HB3 LYS 70 -2.612 17.032 2.150 549 HG2 LYS 70 HG2 LYS 70 -4.973 17.639 2.695 550 HG3 LYS 70 HG3 LYS 70 -4.574 17.414 4.398 551 HD2 LYS 70 HD2 LYS 70 -3.249 19.358 2.508 552 HD3 LYS 70 HD3 LYS 70 -4.426 19.768 3.757 553 HE2 LYS 70 HE2 LYS 70 -2.373 18.257 4.985 554 HE3 LYS 70 HE3 LYS 70 -1.596 19.480 3.981 555 HZ1 LYS 70 HZ1 LYS 70 -2.539 19.890 6.474 556 HZ2 LYS 70 HZ2 LYS 70 -3.812 20.475 5.527 557 HZ3 LYS 70 HZ3 LYS 70 -2.255 21.109 5.336 558 H LEU 71 H LEU 71 -6.039 14.693 2.169 559 HA LEU 71 HA LEU 71 -7.117 14.979 4.841 560 HB2 LEU 71 HB2 LEU 71 -8.644 13.957 2.477 561 HB3 LEU 71 HB3 LEU 71 -9.233 14.861 3.871 562 HG LEU 71 HG LEU 71 -7.447 16.058 1.761 563 HD11 LEU 71 HD11 LEU 71 -9.594 15.245 0.805 564 HD12 LEU 71 HD12 LEU 71 -9.395 16.994 0.730 565 HD13 LEU 71 HD13 LEU 71 -10.446 16.279 1.952 566 HD21 LEU 71 HD21 LEU 71 -9.332 17.558 3.519 567 HD22 LEU 71 HD22 LEU 71 -7.821 18.084 2.776 568 HD23 LEU 71 HD23 LEU 71 -7.788 17.013 4.176 569 H GLN 72 H GLN 72 -8.855 13.204 5.401 570 HA GLN 72 HA GLN 72 -7.383 10.685 5.500 571 HB2 GLN 72 HB2 GLN 72 -8.813 12.084 7.403 572 HB3 GLN 72 HB3 GLN 72 -9.917 10.792 6.950 573 HG2 GLN 72 HG2 GLN 72 -8.402 9.122 7.605 574 HG3 GLN 72 HG3 GLN 72 -7.059 10.262 7.689 575 HE21 GLN 72 HE21 GLN 72 -8.676 8.401 9.599 576 HE22 GLN 72 HE22 GLN 72 -8.857 9.382 11.009 577 H VAL 73 H VAL 73 -8.752 8.651 5.426 578 HA VAL 73 HA VAL 73 -9.959 8.438 2.889 579 HB VAL 73 HB VAL 73 -10.237 6.501 5.189 580 HG11 VAL 73 HG11 VAL 73 -11.475 6.480 2.740 581 HG12 VAL 73 HG12 VAL 73 -10.060 5.461 2.469 582 HG13 VAL 73 HG13 VAL 73 -11.197 5.071 3.762 583 HG21 VAL 73 HG21 VAL 73 -8.282 5.617 3.375 584 HG22 VAL 73 HG22 VAL 73 -7.908 7.306 3.720 585 HG23 VAL 73 HG23 VAL 73 -8.048 6.146 5.041 586 H GLY 74 H GLY 74 -11.681 9.862 2.692 587 HA2 GLY 74 HA2 GLY 74 -14.056 9.919 2.572 588 HA3 GLY 74 HA3 GLY 74 -14.126 8.986 4.060 589 H GLU 75 H GLU 75 -11.962 11.682 3.851 590 HA GLU 75 HA GLU 75 -13.699 13.152 5.716 591 HB2 GLU 75 HB2 GLU 75 -11.103 12.379 6.059 592 HB3 GLU 75 HB3 GLU 75 -10.897 14.015 5.449 593 HG2 GLU 75 HG2 GLU 75 -12.876 13.618 7.612 594 HG3 GLU 75 HG3 GLU 75 -11.171 13.466 8.032 595 H VAL 76 H VAL 76 -13.863 15.442 5.525 596 HA VAL 76 HA VAL 76 -13.611 16.356 2.747 597 HB VAL 76 HB VAL 76 -15.248 17.517 5.007 598 HG11 VAL 76 HG11 VAL 76 -15.279 19.358 3.751 599 HG12 VAL 76 HG12 VAL 76 -14.496 18.539 2.398 600 HG13 VAL 76 HG13 VAL 76 -16.246 18.439 2.598 601 HG21 VAL 76 HG21 VAL 76 -15.924 15.251 4.064 602 HG22 VAL 76 HG22 VAL 76 -17.148 16.520 4.040 603 HG23 VAL 76 HG23 VAL 76 -16.280 16.105 2.563 604 H SER 77 H SER 77 -12.458 18.141 2.189 605 HA SER 77 HA SER 77 -10.552 19.121 4.142 606 HB2 SER 77 HB2 SER 77 -9.224 19.551 2.368 607 HB3 SER 77 HB3 SER 77 -10.398 18.621 1.437 608 HG SER 77 HG SER 77 -11.499 20.657 1.085 609 H GLU 78 H GLU 78 -10.138 21.411 4.438 610 HA GLU 78 HA GLU 78 -12.519 22.854 5.001 611 HB2 GLU 78 HB2 GLU 78 -9.603 23.342 5.278 612 HB3 GLU 78 HB3 GLU 78 -10.648 24.755 5.262 613 HG2 GLU 78 HG2 GLU 78 -11.774 22.810 7.006 614 HG3 GLU 78 HG3 GLU 78 -10.071 23.018 7.409 615 HA PRO 79 HA PRO 79 -13.218 25.227 1.381 616 HB2 PRO 79 HB2 PRO 79 -13.838 27.676 2.377 617 HB3 PRO 79 HB3 PRO 79 -14.920 26.283 2.506 618 HG2 PRO 79 HG2 PRO 79 -13.043 27.421 4.543 619 HG3 PRO 79 HG3 PRO 79 -14.706 26.842 4.754 620 HD2 PRO 79 HD2 PRO 79 -12.548 25.349 5.422 621 HD3 PRO 79 HD3 PRO 79 -14.060 24.630 4.830 622 H ILE 80 H ILE 80 -11.080 25.192 0.519 623 HA ILE 80 HA ILE 80 -9.181 27.224 1.265 624 HB ILE 80 HB ILE 80 -9.071 25.442 -1.165 625 HG12 ILE 80 HG12 ILE 80 -9.398 24.102 0.889 626 HG13 ILE 80 HG13 ILE 80 -7.806 23.855 0.183 627 HG21 ILE 80 HG21 ILE 80 -6.529 25.766 -0.410 628 HG22 ILE 80 HG22 ILE 80 -7.349 26.874 -1.509 629 HG23 ILE 80 HG23 ILE 80 -7.198 27.278 0.200 630 HD11 ILE 80 HD11 ILE 80 -8.280 25.792 2.422 631 HD12 ILE 80 HD12 ILE 80 -7.923 24.086 2.696 632 HD13 ILE 80 HD13 ILE 80 -6.754 25.109 1.862 633 H LYS 81 H LYS 81 -9.546 29.269 0.707 634 HA LYS 81 HA LYS 81 -11.138 30.030 -1.532 635 HB2 LYS 81 HB2 LYS 81 -10.912 31.363 0.572 636 HB3 LYS 81 HB3 LYS 81 -9.264 31.753 0.097 637 HG2 LYS 81 HG2 LYS 81 -10.162 33.566 -0.834 638 HG3 LYS 81 HG3 LYS 81 -10.677 32.476 -2.123 639 HD2 LYS 81 HD2 LYS 81 -12.799 32.106 -0.863 640 HD3 LYS 81 HD3 LYS 81 -12.283 33.352 0.275 641 HE2 LYS 81 HE2 LYS 81 -13.797 34.284 -1.381 642 HE3 LYS 81 HE3 LYS 81 -12.184 34.975 -1.559 643 HZ1 LYS 81 HZ1 LYS 81 -12.214 34.338 -3.663 644 HZ2 LYS 81 HZ2 LYS 81 -13.720 33.594 -3.468 645 HZ3 LYS 81 HZ3 LYS 81 -12.303 32.718 -3.181 646 H SER 82 H SER 82 -10.527 30.089 -3.583 647 HA SER 82 HA SER 82 -7.766 30.833 -4.232 648 HB2 SER 82 HB2 SER 82 -9.036 28.687 -5.872 649 HB3 SER 82 HB3 SER 82 -7.331 28.976 -5.522 650 HG SER 82 HG SER 82 -8.001 28.359 -3.270 651 H GLU 83 H GLU 83 -7.798 30.729 -6.915 652 HA GLU 83 HA GLU 83 -9.197 33.035 -7.661 653 HB2 GLU 83 HB2 GLU 83 -8.440 32.606 -9.899 654 HB3 GLU 83 HB3 GLU 83 -7.156 32.146 -8.790 655 HG2 GLU 83 HG2 GLU 83 -8.256 29.776 -8.997 656 HG3 GLU 83 HG3 GLU 83 -8.885 30.440 -10.504 657 H PHE 84 H PHE 84 -10.088 29.668 -7.763 658 HA PHE 84 HA PHE 84 -12.453 30.210 -9.374 659 HB2 PHE 84 HB2 PHE 84 -11.658 27.589 -8.104 660 HB3 PHE 84 HB3 PHE 84 -12.780 27.840 -9.437 661 HD1 PHE 84 HD1 PHE 84 -11.520 29.387 -11.374 662 HD2 PHE 84 HD2 PHE 84 -9.727 26.556 -8.750 663 HE1 PHE 84 HE1 PHE 84 -9.685 29.067 -12.981 664 HE2 PHE 84 HE2 PHE 84 -7.888 26.232 -10.352 665 HZ PHE 84 HZ PHE 84 -7.865 27.489 -12.470 666 H GLY 85 H GLY 85 -11.534 29.943 -6.079 667 HA2 GLY 85 HA2 GLY 85 -13.282 30.963 -4.586 668 HA3 GLY 85 HA3 GLY 85 -14.377 29.780 -5.287 669 H TYR 86 H TYR 86 -14.814 28.976 -3.182 670 HA TYR 86 HA TYR 86 -12.683 27.858 -1.602 671 HB2 TYR 86 HB2 TYR 86 -15.690 27.745 -1.329 672 HB3 TYR 86 HB3 TYR 86 -14.578 27.011 -0.179 673 HD1 TYR 86 HD2 TYR 86 -12.624 28.762 0.563 674 HD2 TYR 86 HD1 TYR 86 -16.554 29.782 -0.707 675 HE1 TYR 86 HE2 TYR 86 -12.453 30.898 1.769 676 HE2 TYR 86 HE1 TYR 86 -16.393 31.922 0.495 677 HH TYR 86 HH TYR 86 -14.142 33.442 1.254 678 H HIS 87 H HIS 87 -11.772 25.962 -1.985 679 HA HIS 87 HA HIS 87 -13.178 23.990 -3.623 680 HB2 HIS 87 HB2 HIS 87 -10.293 24.260 -2.774 681 HB3 HIS 87 HB3 HIS 87 -10.911 22.846 -3.624 682 HD1 HIS 87 HD1 HIS 87 -11.294 23.054 -6.126 683 HD2 HIS 87 HD2 HIS 87 -10.218 26.642 -4.328 684 HE1 HIS 87 HE1 HIS 87 -10.810 24.636 -8.020 685 H ILE 88 H ILE 88 -14.101 22.248 -2.774 686 HA ILE 88 HA ILE 88 -13.371 21.485 -0.022 687 HB ILE 88 HB ILE 88 -16.027 21.137 -1.419 688 HG12 ILE 88 HG12 ILE 88 -15.545 23.457 -0.717 689 HG13 ILE 88 HG13 ILE 88 -16.864 22.750 0.208 690 HG21 ILE 88 HG21 ILE 88 -16.128 19.362 -0.023 691 HG22 ILE 88 HG22 ILE 88 -14.893 20.004 1.059 692 HG23 ILE 88 HG23 ILE 88 -16.549 20.605 1.156 693 HD11 ILE 88 HD11 ILE 88 -15.444 24.003 1.674 694 HD12 ILE 88 HD12 ILE 88 -15.267 22.286 2.037 695 HD13 ILE 88 HD13 ILE 88 -14.022 23.125 1.114 696 H ILE 89 H ILE 89 -11.706 20.101 -0.846 697 HA ILE 89 HA ILE 89 -12.384 17.914 -2.588 698 HB ILE 89 HB ILE 89 -9.894 18.135 -0.907 699 HG12 ILE 89 HG12 ILE 89 -9.237 19.037 -3.438 700 HG13 ILE 89 HG13 ILE 89 -10.793 19.801 -3.134 701 HG21 ILE 89 HG21 ILE 89 -9.583 17.081 -3.565 702 HG22 ILE 89 HG22 ILE 89 -9.208 16.335 -2.013 703 HG23 ILE 89 HG23 ILE 89 -10.832 16.197 -2.688 704 HD11 ILE 89 HD11 ILE 89 -9.551 21.383 -2.160 705 HD12 ILE 89 HD12 ILE 89 -9.520 20.268 -0.793 706 HD13 ILE 89 HD13 ILE 89 -8.174 20.306 -1.932 707 H LYS 90 H LYS 90 -12.974 15.897 -2.055 708 HA LYS 90 HA LYS 90 -12.783 15.069 0.759 709 HB2 LYS 90 HB2 LYS 90 -15.078 15.828 0.347 710 HB3 LYS 90 HB3 LYS 90 -15.204 14.734 -1.024 711 HG2 LYS 90 HG2 LYS 90 -14.721 12.867 0.655 712 HG3 LYS 90 HG3 LYS 90 -15.075 14.071 1.896 713 HD2 LYS 90 HD2 LYS 90 -17.297 14.300 1.207 714 HD3 LYS 90 HD3 LYS 90 -16.979 13.570 -0.369 715 HE2 LYS 90 HE2 LYS 90 -16.417 11.444 0.946 716 HE3 LYS 90 HE3 LYS 90 -17.201 12.235 2.313 717 HZ1 LYS 90 HZ1 LYS 90 -18.607 10.722 0.847 718 HZ2 LYS 90 HZ2 LYS 90 -18.565 11.970 -0.294 719 HZ3 LYS 90 HZ3 LYS 90 -19.245 12.241 1.231 720 H ARG 91 H ARG 91 -11.657 13.254 0.903 721 HA ARG 91 HA ARG 91 -10.983 11.676 -1.359 722 HB2 ARG 91 HB2 ARG 91 -9.482 11.907 0.564 723 HB3 ARG 91 HB3 ARG 91 -10.652 11.086 1.588 724 HG2 ARG 91 HG2 ARG 91 -10.288 9.024 0.550 725 HG3 ARG 91 HG3 ARG 91 -9.502 9.767 -0.844 726 HD2 ARG 91 HD2 ARG 91 -7.525 10.125 0.296 727 HD3 ARG 91 HD3 ARG 91 -8.312 10.099 1.874 728 HE ARG 91 HE ARG 91 -8.643 7.570 0.965 729 HH11 ARG 91 HH11 ARG 91 -5.876 9.652 1.321 730 HH12 ARG 91 HH12 ARG 91 -4.769 8.350 1.598 731 HH21 ARG 91 HH21 ARG 91 -7.195 5.846 1.330 732 HH22 ARG 91 HH22 ARG 91 -5.519 6.185 1.603 733 H PHE 92 H PHE 92 -11.645 9.627 -1.953 734 HA PHE 92 HA PHE 92 -14.098 8.650 -0.647 735 HB2 PHE 92 HB2 PHE 92 -13.408 8.995 -3.526 736 HB3 PHE 92 HB3 PHE 92 -14.414 7.622 -3.079 737 HD1 PHE 92 HD1 PHE 92 -14.244 11.193 -2.004 738 HD2 PHE 92 HD2 PHE 92 -16.623 8.010 -3.527 739 HE1 PHE 92 HE1 PHE 92 -16.219 12.659 -1.972 740 HE2 PHE 92 HE2 PHE 92 -18.603 9.470 -3.499 741 HZ PHE 92 HZ PHE 92 -18.402 11.798 -2.718 742 H GLY 93 H GLY 93 -11.035 7.838 -2.133 743 HA2 GLY 93 HA2 GLY 93 -11.202 5.083 -2.311 744 HA3 GLY 93 HA3 GLY 93 -9.723 5.961 -1.947 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -0.629 -2.302 -5.568 2 HA2 GLY 1 HA2 GLY 1 1.672 -1.259 -5.909 3 HA3 GLY 1 HA3 GLY 1 0.330 -0.339 -6.571 4 HA PRO 2 HA PRO 2 2.844 2.157 -3.428 5 HB2 PRO 2 HB2 PRO 2 3.942 3.918 -5.179 6 HB3 PRO 2 HB3 PRO 2 4.723 2.397 -4.730 7 HG2 PRO 2 HG2 PRO 2 3.111 3.052 -7.166 8 HG3 PRO 2 HG3 PRO 2 4.624 2.136 -7.039 9 HD2 PRO 2 HD2 PRO 2 2.210 0.935 -7.289 10 HD3 PRO 2 HD3 PRO 2 3.548 0.208 -6.375 11 H SER 3 H SER 3 2.779 4.680 -3.332 12 HA SER 3 HA SER 3 0.001 5.433 -3.771 13 HB2 SER 3 HB2 SER 3 2.209 6.868 -2.276 14 HB3 SER 3 HB3 SER 3 0.512 7.346 -2.305 15 HG SER 3 HG SER 3 0.662 6.149 -0.507 16 H ASN 4 H ASN 4 -0.182 5.924 -5.925 17 HA ASN 4 HA ASN 4 1.484 8.150 -6.903 18 HB2 ASN 4 HB2 ASN 4 1.913 6.201 -8.237 19 HB3 ASN 4 HB3 ASN 4 0.191 5.877 -8.416 20 HD21 ASN 4 HD21 ASN 4 2.186 8.786 -8.800 21 HD22 ASN 4 HD22 ASN 4 1.670 9.133 -10.412 22 H LYS 5 H LYS 5 -1.764 6.737 -6.962 23 HA LYS 5 HA LYS 5 -2.861 9.441 -7.249 24 HB2 LYS 5 HB2 LYS 5 -4.673 8.029 -8.690 25 HB3 LYS 5 HB3 LYS 5 -3.344 8.936 -9.399 26 HG2 LYS 5 HG2 LYS 5 -3.500 6.716 -10.365 27 HG3 LYS 5 HG3 LYS 5 -1.990 6.906 -9.470 28 HD2 LYS 5 HD2 LYS 5 -2.525 5.288 -8.015 29 HD3 LYS 5 HD3 LYS 5 -4.179 5.877 -7.836 30 HE2 LYS 5 HE2 LYS 5 -4.976 4.557 -9.529 31 HE3 LYS 5 HE3 LYS 5 -3.432 4.528 -10.379 32 HZ1 LYS 5 HZ1 LYS 5 -4.341 2.452 -9.057 33 HZ2 LYS 5 HZ2 LYS 5 -3.554 3.219 -7.772 34 HZ3 LYS 5 HZ3 LYS 5 -2.686 2.789 -9.159 35 H ILE 6 H ILE 6 -5.119 9.605 -6.587 36 HA ILE 6 HA ILE 6 -6.216 7.393 -5.060 37 HB ILE 6 HB ILE 6 -6.501 8.724 -3.009 38 HG12 ILE 6 HG12 ILE 6 -4.426 10.659 -3.945 39 HG13 ILE 6 HG13 ILE 6 -6.096 10.916 -4.440 40 HG21 ILE 6 HG21 ILE 6 -3.595 8.550 -3.778 41 HG22 ILE 6 HG22 ILE 6 -4.289 8.429 -2.162 42 HG23 ILE 6 HG23 ILE 6 -4.584 7.155 -3.345 43 HD11 ILE 6 HD11 ILE 6 -5.187 10.632 -1.587 44 HD12 ILE 6 HD12 ILE 6 -5.462 12.166 -2.413 45 HD13 ILE 6 HD13 ILE 6 -6.805 11.053 -2.151 46 H LYS 7 H LYS 7 -8.423 7.702 -4.459 47 HA LYS 7 HA LYS 7 -9.879 9.294 -6.348 48 HB2 LYS 7 HB2 LYS 7 -10.396 7.015 -4.777 49 HB3 LYS 7 HB3 LYS 7 -11.537 8.240 -4.238 50 HG2 LYS 7 HG2 LYS 7 -11.949 8.561 -6.797 51 HG3 LYS 7 HG3 LYS 7 -11.274 6.934 -6.901 52 HD2 LYS 7 HD2 LYS 7 -13.203 6.055 -6.233 53 HD3 LYS 7 HD3 LYS 7 -13.175 7.036 -4.766 54 HE2 LYS 7 HE2 LYS 7 -14.550 8.624 -5.640 55 HE3 LYS 7 HE3 LYS 7 -13.956 8.389 -7.283 56 HZ1 LYS 7 HZ1 LYS 7 -15.658 7.061 -7.712 57 HZ2 LYS 7 HZ2 LYS 7 -16.302 7.412 -6.188 58 HZ3 LYS 7 HZ3 LYS 7 -15.298 6.066 -6.392 59 H CYS 8 H CYS 8 -11.213 11.050 -5.955 60 HA CYS 8 HA CYS 8 -11.790 12.122 -3.423 61 HB2 CYS 8 HB2 CYS 8 -10.319 14.094 -3.427 62 HB3 CYS 8 HB3 CYS 8 -9.393 12.601 -3.329 63 HG CYS 8 HG CYS 8 -8.754 15.009 -5.241 64 H SER 9 H SER 9 -12.818 14.257 -3.556 65 HA SER 9 HA SER 9 -13.804 14.825 -6.275 66 HB2 SER 9 HB2 SER 9 -15.369 15.114 -3.701 67 HB3 SER 9 HB3 SER 9 -15.976 15.368 -5.337 68 HG SER 9 HG SER 9 -16.566 13.319 -4.689 69 H HIS 10 H HIS 10 -15.240 17.100 -5.772 70 HA HIS 10 HA HIS 10 -13.860 19.027 -4.222 71 HB2 HIS 10 HB2 HIS 10 -12.873 20.355 -6.038 72 HB3 HIS 10 HB3 HIS 10 -12.141 18.756 -5.946 73 HD1 HIS 10 HD1 HIS 10 -13.500 21.062 -8.316 74 HD2 HIS 10 HD2 HIS 10 -13.419 16.925 -7.954 75 HE1 HIS 10 HE1 HIS 10 -13.988 20.175 -10.618 76 H ILE 11 H ILE 11 -14.983 20.944 -4.090 77 HA ILE 11 HA ILE 11 -17.214 21.367 -5.939 78 HB ILE 11 HB ILE 11 -17.479 21.247 -2.936 79 HG12 ILE 11 HG12 ILE 11 -18.986 19.767 -5.100 80 HG13 ILE 11 HG13 ILE 11 -17.609 19.102 -4.229 81 HG21 ILE 11 HG21 ILE 11 -19.350 22.345 -5.018 82 HG22 ILE 11 HG22 ILE 11 -19.884 21.856 -3.410 83 HG23 ILE 11 HG23 ILE 11 -18.709 23.158 -3.591 84 HD11 ILE 11 HD11 ILE 11 -20.288 19.863 -3.100 85 HD12 ILE 11 HD12 ILE 11 -19.596 18.247 -3.245 86 HD13 ILE 11 HD13 ILE 11 -18.895 19.408 -2.119 87 H LEU 12 H LEU 12 -17.213 23.393 -6.637 88 HA LEU 12 HA LEU 12 -15.767 25.421 -5.087 89 HB2 LEU 12 HB2 LEU 12 -16.322 24.983 -7.959 90 HB3 LEU 12 HB3 LEU 12 -16.274 26.657 -7.411 91 HG LEU 12 HG LEU 12 -14.124 26.014 -8.305 92 HD11 LEU 12 HD11 LEU 12 -12.757 26.764 -6.546 93 HD12 LEU 12 HD12 LEU 12 -13.826 26.089 -5.317 94 HD13 LEU 12 HD13 LEU 12 -14.335 27.494 -6.253 95 HD21 LEU 12 HD21 LEU 12 -14.653 23.522 -7.394 96 HD22 LEU 12 HD22 LEU 12 -13.509 24.083 -6.173 97 HD23 LEU 12 HD23 LEU 12 -13.052 24.084 -7.878 98 H VAL 13 H VAL 13 -16.783 27.083 -4.155 99 HA VAL 13 HA VAL 13 -19.568 27.641 -4.931 100 HB VAL 13 HB VAL 13 -20.163 28.033 -2.600 101 HG11 VAL 13 HG11 VAL 13 -20.251 25.722 -3.718 102 HG12 VAL 13 HG12 VAL 13 -18.880 25.322 -2.681 103 HG13 VAL 13 HG13 VAL 13 -20.419 25.802 -1.965 104 HG21 VAL 13 HG21 VAL 13 -17.442 26.965 -1.868 105 HG22 VAL 13 HG22 VAL 13 -17.856 28.679 -1.877 106 HG23 VAL 13 HG23 VAL 13 -18.685 27.578 -0.777 107 H SER 14 H SER 14 -20.181 29.769 -3.477 108 HA SER 14 HA SER 14 -18.126 31.749 -4.209 109 HB2 SER 14 HB2 SER 14 -20.356 31.820 -5.424 110 HB3 SER 14 HB3 SER 14 -21.081 32.292 -3.888 111 HG SER 14 HG SER 14 -19.996 33.879 -5.629 112 H LYS 15 H LYS 15 -20.086 30.486 -1.669 113 HA LYS 15 HA LYS 15 -18.880 32.418 0.188 114 HB2 LYS 15 HB2 LYS 15 -21.703 31.392 0.476 115 HB3 LYS 15 HB3 LYS 15 -20.916 32.652 1.420 116 HG2 LYS 15 HG2 LYS 15 -20.776 34.016 -0.667 117 HG3 LYS 15 HG3 LYS 15 -21.762 32.789 -1.465 118 HD2 LYS 15 HD2 LYS 15 -22.775 33.864 1.102 119 HD3 LYS 15 HD3 LYS 15 -22.802 34.954 -0.285 120 HE2 LYS 15 HE2 LYS 15 -23.824 32.770 -1.438 121 HE3 LYS 15 HE3 LYS 15 -24.336 32.472 0.222 122 HZ1 LYS 15 HZ1 LYS 15 -26.008 33.695 -1.026 123 HZ2 LYS 15 HZ2 LYS 15 -24.901 34.935 -1.337 124 HZ3 LYS 15 HZ3 LYS 15 -25.408 34.632 0.248 125 H GLN 16 H GLN 16 -18.592 31.643 2.347 126 HA GLN 16 HA GLN 16 -17.730 28.955 2.476 127 HB2 GLN 16 HB2 GLN 16 -18.046 31.153 4.492 128 HB3 GLN 16 HB3 GLN 16 -17.651 29.523 5.020 129 HG2 GLN 16 HG2 GLN 16 -15.798 29.788 3.132 130 HG3 GLN 16 HG3 GLN 16 -16.015 31.490 3.537 131 HE21 GLN 16 HE21 GLN 16 -14.996 32.267 5.258 132 HE22 GLN 16 HE22 GLN 16 -14.183 31.322 6.453 133 H SER 17 H SER 17 -20.745 30.500 3.171 134 HA SER 17 HA SER 17 -21.857 28.662 4.969 135 HB2 SER 17 HB2 SER 17 -23.081 30.638 4.741 136 HB3 SER 17 HB3 SER 17 -23.020 30.588 2.979 137 HG SER 17 HG SER 17 -24.937 29.694 4.563 138 H GLU 18 H GLU 18 -21.223 28.431 1.591 139 HA GLU 18 HA GLU 18 -22.989 26.122 1.283 140 HB2 GLU 18 HB2 GLU 18 -21.306 27.631 -0.724 141 HB3 GLU 18 HB3 GLU 18 -22.307 26.238 -1.113 142 HG2 GLU 18 HG2 GLU 18 -24.010 27.598 -1.456 143 HG3 GLU 18 HG3 GLU 18 -23.967 28.047 0.248 144 H ALA 19 H ALA 19 -19.564 26.980 0.843 145 HA ALA 19 HA ALA 19 -18.657 24.383 0.256 146 HB1 ALA 19 HB1 ALA 19 -16.558 25.728 1.539 147 HB2 ALA 19 HB2 ALA 19 -16.853 25.594 -0.195 148 HB3 ALA 19 HB3 ALA 19 -17.496 26.968 0.706 149 H LEU 20 H LEU 20 -18.564 26.199 3.324 150 HA LEU 20 HA LEU 20 -17.507 24.111 4.878 151 HB2 LEU 20 HB2 LEU 20 -18.019 26.715 5.314 152 HB3 LEU 20 HB3 LEU 20 -19.371 25.992 6.185 153 HG LEU 20 HG LEU 20 -17.476 26.490 7.657 154 HD11 LEU 20 HD11 LEU 20 -19.035 24.535 8.014 155 HD12 LEU 20 HD12 LEU 20 -17.476 24.442 8.832 156 HD13 LEU 20 HD13 LEU 20 -17.758 23.511 7.361 157 HD21 LEU 20 HD21 LEU 20 -15.921 25.626 5.553 158 HD22 LEU 20 HD22 LEU 20 -15.782 24.317 6.727 159 HD23 LEU 20 HD23 LEU 20 -15.359 25.966 7.190 160 H ALA 21 H ALA 21 -20.677 24.677 3.664 161 HA ALA 21 HA ALA 21 -22.089 23.094 5.584 162 HB1 ALA 21 HB1 ALA 21 -22.730 24.625 3.200 163 HB2 ALA 21 HB2 ALA 21 -23.650 23.124 3.311 164 HB3 ALA 21 HB3 ALA 21 -23.707 24.293 4.630 165 H ILE 22 H ILE 22 -19.950 22.301 3.148 166 HA ILE 22 HA ILE 22 -21.196 19.884 2.227 167 HB ILE 22 HB ILE 22 -18.317 20.768 1.993 168 HG12 ILE 22 HG12 ILE 22 -19.826 22.344 0.908 169 HG13 ILE 22 HG13 ILE 22 -18.958 21.414 -0.309 170 HG21 ILE 22 HG21 ILE 22 -18.104 18.572 1.476 171 HG22 ILE 22 HG22 ILE 22 -19.802 18.396 1.042 172 HG23 ILE 22 HG23 ILE 22 -18.675 19.140 -0.092 173 HD11 ILE 22 HD11 ILE 22 -21.087 19.892 -0.205 174 HD12 ILE 22 HD12 ILE 22 -21.834 21.360 0.425 175 HD13 ILE 22 HD13 ILE 22 -21.068 21.372 -1.163 176 H MET 23 H MET 23 -19.289 20.784 4.936 177 HA MET 23 HA MET 23 -18.601 17.994 5.516 178 HB2 MET 23 HB2 MET 23 -17.120 18.887 7.234 179 HB3 MET 23 HB3 MET 23 -16.788 19.647 5.683 180 HG2 MET 23 HG2 MET 23 -17.533 21.684 6.360 181 HG3 MET 23 HG3 MET 23 -18.690 21.006 7.503 182 HE1 MET 23 HE1 MET 23 -14.817 19.639 7.980 183 HE2 MET 23 HE2 MET 23 -15.058 20.769 6.647 184 HE3 MET 23 HE3 MET 23 -14.174 21.279 8.087 185 H GLU 24 H GLU 24 -21.127 19.984 6.009 186 HA GLU 24 HA GLU 24 -21.724 18.838 8.658 187 HB2 GLU 24 HB2 GLU 24 -22.913 20.766 9.262 188 HB3 GLU 24 HB3 GLU 24 -21.477 21.383 8.457 189 HG2 GLU 24 HG2 GLU 24 -23.070 22.681 7.485 190 HG3 GLU 24 HG3 GLU 24 -23.029 21.338 6.343 191 H LYS 25 H LYS 25 -22.859 19.463 5.418 192 HA LYS 25 HA LYS 25 -25.552 18.686 5.778 193 HB2 LYS 25 HB2 LYS 25 -24.640 19.949 3.811 194 HB3 LYS 25 HB3 LYS 25 -23.903 18.452 3.255 195 HG2 LYS 25 HG2 LYS 25 -25.913 18.724 2.043 196 HG3 LYS 25 HG3 LYS 25 -26.203 17.446 3.226 197 HD2 LYS 25 HD2 LYS 25 -28.109 18.723 3.456 198 HD3 LYS 25 HD3 LYS 25 -27.074 19.414 4.709 199 HE2 LYS 25 HE2 LYS 25 -26.994 20.572 1.963 200 HE3 LYS 25 HE3 LYS 25 -28.362 20.952 3.009 201 HZ1 LYS 25 HZ1 LYS 25 -26.924 22.617 3.555 202 HZ2 LYS 25 HZ2 LYS 25 -25.538 21.682 3.302 203 HZ3 LYS 25 HZ3 LYS 25 -26.460 21.465 4.704 204 H LEU 26 H LEU 26 -22.850 16.873 4.308 205 HA LEU 26 HA LEU 26 -24.172 14.432 4.079 206 HB2 LEU 26 HB2 LEU 26 -21.234 14.727 4.647 207 HB3 LEU 26 HB3 LEU 26 -22.041 13.440 3.753 208 HG LEU 26 HG LEU 26 -21.622 16.289 2.856 209 HD11 LEU 26 HD11 LEU 26 -19.659 14.796 2.730 210 HD12 LEU 26 HD12 LEU 26 -20.233 15.311 1.144 211 HD13 LEU 26 HD13 LEU 26 -20.596 13.687 1.728 212 HD21 LEU 26 HD21 LEU 26 -23.822 15.439 2.160 213 HD22 LEU 26 HD22 LEU 26 -23.037 14.040 1.428 214 HD23 LEU 26 HD23 LEU 26 -22.728 15.656 0.794 215 H LYS 27 H LYS 27 -22.838 15.998 6.845 216 HA LYS 27 HA LYS 27 -22.297 13.863 8.536 217 HB2 LYS 27 HB2 LYS 27 -21.921 16.358 8.937 218 HB3 LYS 27 HB3 LYS 27 -23.601 16.420 9.456 219 HG2 LYS 27 HG2 LYS 27 -23.106 14.761 11.197 220 HG3 LYS 27 HG3 LYS 27 -21.415 14.757 10.693 221 HD2 LYS 27 HD2 LYS 27 -21.307 17.182 11.193 222 HD3 LYS 27 HD3 LYS 27 -22.965 17.100 11.797 223 HE2 LYS 27 HE2 LYS 27 -21.644 16.932 13.718 224 HE3 LYS 27 HE3 LYS 27 -22.104 15.267 13.365 225 HZ1 LYS 27 HZ1 LYS 27 -19.617 15.984 13.863 226 HZ2 LYS 27 HZ2 LYS 27 -19.614 16.220 12.189 227 HZ3 LYS 27 HZ3 LYS 27 -19.998 14.701 12.828 228 H SER 28 H SER 28 -25.337 15.138 7.454 229 HA SER 28 HA SER 28 -26.892 13.806 9.487 230 HB2 SER 28 HB2 SER 28 -27.837 15.826 8.663 231 HB3 SER 28 HB3 SER 28 -27.620 15.329 6.985 232 HG SER 28 HG SER 28 -29.742 14.977 7.466 233 H GLY 29 H GLY 29 -25.673 13.086 6.330 234 HA2 GLY 29 HA2 GLY 29 -25.549 10.619 5.926 235 HA3 GLY 29 HA3 GLY 29 -27.264 10.594 6.309 236 H GLU 30 H GLU 30 -25.803 13.163 4.444 237 HA GLU 30 HA GLU 30 -27.508 12.445 2.193 238 HB2 GLU 30 HB2 GLU 30 -25.737 14.870 2.323 239 HB3 GLU 30 HB3 GLU 30 -27.227 14.645 1.417 240 HG2 GLU 30 HG2 GLU 30 -26.921 15.033 4.380 241 HG3 GLU 30 HG3 GLU 30 -27.696 16.111 3.220 242 H LYS 31 H LYS 31 -26.144 13.519 0.074 243 HA LYS 31 HA LYS 31 -23.780 11.769 -0.133 244 HB2 LYS 31 HB2 LYS 31 -25.880 11.165 -1.484 245 HB3 LYS 31 HB3 LYS 31 -25.506 12.577 -2.464 246 HG2 LYS 31 HG2 LYS 31 -24.542 10.830 -3.640 247 HG3 LYS 31 HG3 LYS 31 -23.184 11.510 -2.741 248 HD2 LYS 31 HD2 LYS 31 -22.891 9.270 -2.327 249 HD3 LYS 31 HD3 LYS 31 -23.890 9.729 -0.945 250 HE2 LYS 31 HE2 LYS 31 -25.256 8.849 -3.434 251 HE3 LYS 31 HE3 LYS 31 -24.457 7.624 -2.450 252 HZ1 LYS 31 HZ1 LYS 31 -26.742 9.348 -1.764 253 HZ2 LYS 31 HZ2 LYS 31 -25.756 8.734 -0.535 254 HZ3 LYS 31 HZ3 LYS 31 -26.570 7.676 -1.574 255 H PHE 32 H PHE 32 -21.912 12.663 -0.771 256 HA PHE 32 HA PHE 32 -21.465 15.386 -0.743 257 HB2 PHE 32 HB2 PHE 32 -19.666 13.744 -0.519 258 HB3 PHE 32 HB3 PHE 32 -19.874 13.264 -2.200 259 HD1 PHE 32 HD1 PHE 32 -19.310 14.875 -4.011 260 HD2 PHE 32 HD2 PHE 32 -18.375 15.624 0.074 261 HE1 PHE 32 HE1 PHE 32 -17.685 16.590 -4.700 262 HE2 PHE 32 HE2 PHE 32 -16.750 17.341 -0.609 263 HZ PHE 32 HZ PHE 32 -16.403 17.825 -2.999 264 H GLY 33 H GLY 33 -21.897 13.283 -3.581 265 HA2 GLY 33 HA2 GLY 33 -21.585 15.258 -5.543 266 HA3 GLY 33 HA3 GLY 33 -22.487 13.764 -5.745 267 H LYS 34 H LYS 34 -24.384 14.358 -3.625 268 HA LYS 34 HA LYS 34 -26.425 15.530 -5.068 269 HB2 LYS 34 HB2 LYS 34 -26.626 14.183 -2.942 270 HB3 LYS 34 HB3 LYS 34 -26.190 15.641 -2.060 271 HG2 LYS 34 HG2 LYS 34 -28.438 15.831 -1.934 272 HG3 LYS 34 HG3 LYS 34 -28.202 16.631 -3.490 273 HD2 LYS 34 HD2 LYS 34 -28.615 13.675 -3.412 274 HD3 LYS 34 HD3 LYS 34 -30.005 14.747 -3.219 275 HE2 LYS 34 HE2 LYS 34 -29.090 15.915 -5.339 276 HE3 LYS 34 HE3 LYS 34 -28.168 14.430 -5.565 277 HZ1 LYS 34 HZ1 LYS 34 -30.136 14.122 -6.759 278 HZ2 LYS 34 HZ2 LYS 34 -31.105 14.776 -5.538 279 HZ3 LYS 34 HZ3 LYS 34 -30.388 13.258 -5.326 280 H LEU 35 H LEU 35 -23.923 17.038 -3.173 281 HA LEU 35 HA LEU 35 -25.183 19.666 -3.538 282 HB2 LEU 35 HB2 LEU 35 -22.708 19.228 -1.926 283 HB3 LEU 35 HB3 LEU 35 -23.959 20.458 -1.744 284 HG LEU 35 HG LEU 35 -24.213 17.545 -0.997 285 HD11 LEU 35 HD11 LEU 35 -24.132 18.261 1.267 286 HD12 LEU 35 HD12 LEU 35 -24.152 19.961 0.797 287 HD13 LEU 35 HD13 LEU 35 -22.736 18.967 0.449 288 HD21 LEU 35 HD21 LEU 35 -26.201 19.462 -1.616 289 HD22 LEU 35 HD22 LEU 35 -26.223 19.215 0.130 290 HD23 LEU 35 HD23 LEU 35 -26.409 17.838 -0.959 291 H ALA 36 H ALA 36 -22.600 17.677 -4.611 292 HA ALA 36 HA ALA 36 -20.910 19.785 -5.572 293 HB1 ALA 36 HB1 ALA 36 -20.843 16.949 -6.549 294 HB2 ALA 36 HB2 ALA 36 -19.518 18.105 -6.416 295 HB3 ALA 36 HB3 ALA 36 -20.221 17.399 -4.961 296 H LYS 37 H LYS 37 -23.803 18.416 -6.648 297 HA LYS 37 HA LYS 37 -23.288 19.079 -9.454 298 HB2 LYS 37 HB2 LYS 37 -25.451 17.965 -9.891 299 HB3 LYS 37 HB3 LYS 37 -24.307 16.911 -9.068 300 HG2 LYS 37 HG2 LYS 37 -25.948 16.469 -7.639 301 HG3 LYS 37 HG3 LYS 37 -25.694 18.095 -6.998 302 HD2 LYS 37 HD2 LYS 37 -27.964 18.094 -7.452 303 HD3 LYS 37 HD3 LYS 37 -27.291 18.819 -8.915 304 HE2 LYS 37 HE2 LYS 37 -28.800 17.254 -9.739 305 HE3 LYS 37 HE3 LYS 37 -27.255 16.410 -9.827 306 HZ1 LYS 37 HZ1 LYS 37 -27.875 14.935 -8.273 307 HZ2 LYS 37 HZ2 LYS 37 -29.446 15.384 -8.711 308 HZ3 LYS 37 HZ3 LYS 37 -28.717 16.073 -7.348 309 H GLU 38 H GLU 38 -24.163 20.724 -6.824 310 HA GLU 38 HA GLU 38 -25.901 22.527 -8.364 311 HB2 GLU 38 HB2 GLU 38 -27.041 23.045 -6.139 312 HB3 GLU 38 HB3 GLU 38 -27.441 21.514 -6.904 313 HG2 GLU 38 HG2 GLU 38 -25.692 20.462 -5.416 314 HG3 GLU 38 HG3 GLU 38 -25.658 21.989 -4.538 315 H LEU 39 H LEU 39 -23.953 22.262 -5.393 316 HA LEU 39 HA LEU 39 -23.506 25.050 -5.153 317 HB2 LEU 39 HB2 LEU 39 -21.997 22.704 -4.015 318 HB3 LEU 39 HB3 LEU 39 -21.727 24.383 -3.555 319 HG LEU 39 HG LEU 39 -24.200 22.733 -3.058 320 HD11 LEU 39 HD11 LEU 39 -21.812 23.191 -1.577 321 HD12 LEU 39 HD12 LEU 39 -23.229 22.242 -1.131 322 HD13 LEU 39 HD13 LEU 39 -23.159 23.959 -0.738 323 HD21 LEU 39 HD21 LEU 39 -25.126 24.809 -3.448 324 HD22 LEU 39 HD22 LEU 39 -23.701 25.672 -2.868 325 HD23 LEU 39 HD23 LEU 39 -24.786 24.889 -1.718 326 H SER 40 H SER 40 -21.580 22.399 -6.502 327 HA SER 40 HA SER 40 -19.235 23.751 -7.063 328 HB2 SER 40 HB2 SER 40 -19.841 21.254 -7.402 329 HB3 SER 40 HB3 SER 40 -20.383 21.757 -9.003 330 HG SER 40 HG SER 40 -18.214 22.723 -9.195 331 H ILE 41 H ILE 41 -19.251 25.750 -7.913 332 HA ILE 41 HA ILE 41 -21.062 26.578 -9.960 333 HB ILE 41 HB ILE 41 -19.636 28.626 -10.065 334 HG12 ILE 41 HG12 ILE 41 -18.167 27.812 -7.629 335 HG13 ILE 41 HG13 ILE 41 -17.637 27.058 -9.129 336 HG21 ILE 41 HG21 ILE 41 -20.146 28.183 -7.180 337 HG22 ILE 41 HG22 ILE 41 -20.637 29.513 -8.228 338 HG23 ILE 41 HG23 ILE 41 -21.502 27.977 -8.286 339 HD11 ILE 41 HD11 ILE 41 -16.378 28.860 -9.416 340 HD12 ILE 41 HD12 ILE 41 -17.871 29.720 -9.794 341 HD13 ILE 41 HD13 ILE 41 -17.225 29.751 -8.153 342 H ASP 42 H ASP 42 -17.981 25.048 -9.933 343 HA ASP 42 HA ASP 42 -16.992 25.871 -12.436 344 HB2 ASP 42 HB2 ASP 42 -15.635 24.706 -10.722 345 HB3 ASP 42 HB3 ASP 42 -16.542 23.229 -11.033 346 H SER 43 H SER 43 -17.943 25.618 -14.338 347 HA SER 43 HA SER 43 -20.140 24.053 -14.908 348 HB2 SER 43 HB2 SER 43 -19.070 25.930 -16.307 349 HB3 SER 43 HB3 SER 43 -18.048 24.665 -16.991 350 HG SER 43 HG SER 43 -20.832 25.014 -17.201 351 H GLY 44 H GLY 44 -16.721 23.227 -15.130 352 HA2 GLY 44 HA2 GLY 44 -17.354 20.585 -16.198 353 HA3 GLY 44 HA3 GLY 44 -15.747 21.253 -15.961 354 H SER 45 H SER 45 -18.476 20.852 -13.716 355 HA SER 45 HA SER 45 -17.152 18.738 -12.284 356 HB2 SER 45 HB2 SER 45 -17.606 21.260 -10.706 357 HB3 SER 45 HB3 SER 45 -16.622 19.858 -10.289 358 HG SER 45 HG SER 45 -15.267 20.496 -12.117 359 H ALA 46 H ALA 46 -19.691 21.193 -12.308 360 HA ALA 46 HA ALA 46 -21.404 19.939 -10.449 361 HB1 ALA 46 HB1 ALA 46 -22.811 21.657 -10.842 362 HB2 ALA 46 HB2 ALA 46 -21.405 22.342 -11.659 363 HB3 ALA 46 HB3 ALA 46 -22.657 21.525 -12.595 364 H LYS 47 H LYS 47 -20.543 19.083 -13.604 365 HA LYS 47 HA LYS 47 -23.029 17.642 -14.124 366 HB2 LYS 47 HB2 LYS 47 -22.011 17.132 -16.317 367 HB3 LYS 47 HB3 LYS 47 -22.082 18.859 -15.996 368 HG2 LYS 47 HG2 LYS 47 -19.890 19.059 -16.240 369 HG3 LYS 47 HG3 LYS 47 -19.587 17.769 -15.074 370 HD2 LYS 47 HD2 LYS 47 -18.612 17.092 -17.136 371 HD3 LYS 47 HD3 LYS 47 -20.074 16.129 -16.917 372 HE2 LYS 47 HE2 LYS 47 -21.102 17.055 -18.696 373 HE3 LYS 47 HE3 LYS 47 -20.451 18.659 -18.365 374 HZ1 LYS 47 HZ1 LYS 47 -19.360 18.126 -20.283 375 HZ2 LYS 47 HZ2 LYS 47 -19.289 16.472 -19.937 376 HZ3 LYS 47 HZ3 LYS 47 -18.245 17.547 -19.151 377 H LYS 48 H LYS 48 -19.936 17.125 -12.805 378 HA LYS 48 HA LYS 48 -20.299 14.207 -13.018 379 HB2 LYS 48 HB2 LYS 48 -17.781 14.127 -12.610 380 HB3 LYS 48 HB3 LYS 48 -18.312 14.682 -14.192 381 HG2 LYS 48 HG2 LYS 48 -18.059 16.901 -12.381 382 HG3 LYS 48 HG3 LYS 48 -16.563 15.966 -12.440 383 HD2 LYS 48 HD2 LYS 48 -17.939 16.633 -14.998 384 HD3 LYS 48 HD3 LYS 48 -17.031 17.898 -14.167 385 HE2 LYS 48 HE2 LYS 48 -15.108 16.231 -14.079 386 HE3 LYS 48 HE3 LYS 48 -16.029 15.274 -15.239 387 HZ1 LYS 48 HZ1 LYS 48 -15.199 18.094 -15.659 388 HZ2 LYS 48 HZ2 LYS 48 -15.974 17.096 -16.783 389 HZ3 LYS 48 HZ3 LYS 48 -14.393 16.749 -16.293 390 H ASN 49 H ASN 49 -21.288 16.190 -11.003 391 HA ASN 49 HA ASN 49 -21.489 16.421 -8.745 392 HB2 ASN 49 HB2 ASN 49 -20.663 13.518 -8.929 393 HB3 ASN 49 HB3 ASN 49 -21.240 14.276 -7.447 394 HD21 ASN 49 HD21 ASN 49 -23.389 15.312 -7.579 395 HD22 ASN 49 HD22 ASN 49 -24.599 14.543 -8.542 396 H GLY 50 H GLY 50 -18.907 17.107 -9.932 397 HA2 GLY 50 HA2 GLY 50 -16.818 17.766 -9.250 398 HA3 GLY 50 HA3 GLY 50 -17.460 17.690 -7.614 399 H ASN 51 H ASN 51 -17.561 14.792 -9.459 400 HA ASN 51 HA ASN 51 -15.535 13.631 -7.705 401 HB2 ASN 51 HB2 ASN 51 -17.903 12.641 -8.202 402 HB3 ASN 51 HB3 ASN 51 -17.150 12.053 -9.681 403 HD21 ASN 51 HD21 ASN 51 -16.815 12.065 -6.169 404 HD22 ASN 51 HD22 ASN 51 -16.063 10.514 -6.057 405 H LEU 52 H LEU 52 -13.713 14.594 -8.752 406 HA LEU 52 HA LEU 52 -13.134 14.209 -11.497 407 HB2 LEU 52 HB2 LEU 52 -10.821 14.842 -10.849 408 HB3 LEU 52 HB3 LEU 52 -12.059 15.982 -10.329 409 HG LEU 52 HG LEU 52 -11.892 14.607 -8.080 410 HD11 LEU 52 HD11 LEU 52 -10.188 13.203 -7.882 411 HD12 LEU 52 HD12 LEU 52 -9.049 14.443 -8.405 412 HD13 LEU 52 HD13 LEU 52 -9.851 13.424 -9.599 413 HD21 LEU 52 HD21 LEU 52 -10.934 16.466 -7.263 414 HD22 LEU 52 HD22 LEU 52 -11.095 17.066 -8.914 415 HD23 LEU 52 HD23 LEU 52 -9.566 16.372 -8.372 416 H GLY 53 H GLY 53 -13.087 12.087 -8.866 417 HA2 GLY 53 HA2 GLY 53 -12.605 9.822 -8.848 418 HA3 GLY 53 HA3 GLY 53 -12.007 9.974 -10.495 419 H TYR 54 H TYR 54 -9.999 9.218 -10.551 420 HA TYR 54 HA TYR 54 -8.235 9.559 -8.264 421 HB2 TYR 54 HB2 TYR 54 -8.338 7.797 -10.625 422 HB3 TYR 54 HB3 TYR 54 -6.720 8.285 -10.134 423 HD1 TYR 54 HD1 TYR 54 -9.699 7.599 -8.009 424 HD2 TYR 54 HD2 TYR 54 -5.804 6.358 -9.188 425 HE1 TYR 54 HE1 TYR 54 -9.722 5.880 -6.251 426 HE2 TYR 54 HE2 TYR 54 -5.816 4.634 -7.433 427 HH TYR 54 HH TYR 54 -6.879 3.897 -5.584 428 H PHE 55 H PHE 55 -6.452 10.831 -8.204 429 HA PHE 55 HA PHE 55 -5.614 12.227 -10.631 430 HB2 PHE 55 HB2 PHE 55 -5.931 14.370 -9.825 431 HB3 PHE 55 HB3 PHE 55 -7.330 13.549 -9.139 432 HD1 PHE 55 HD2 PHE 55 -6.358 12.188 -6.830 433 HD2 PHE 55 HD1 PHE 55 -5.201 15.983 -8.370 434 HE1 PHE 55 HE2 PHE 55 -5.663 12.888 -4.576 435 HE2 PHE 55 HE1 PHE 55 -4.503 16.688 -6.119 436 HZ PHE 55 HZ PHE 55 -4.735 15.140 -4.218 437 H THR 56 H THR 56 -3.650 13.733 -9.952 438 HA THR 56 HA THR 56 -1.987 12.469 -7.916 439 HB THR 56 HB THR 56 -0.131 12.031 -9.371 440 HG1 THR 56 HG1 THR 56 -0.161 13.505 -10.963 441 HG21 THR 56 HG21 THR 56 -0.999 10.238 -10.739 442 HG22 THR 56 HG22 THR 56 -2.613 10.947 -10.706 443 HG23 THR 56 HG23 THR 56 -1.904 10.296 -9.228 444 H LYS 57 H LYS 57 0.366 13.626 -8.238 445 HA LYS 57 HA LYS 57 -0.170 16.391 -7.657 446 HB2 LYS 57 HB2 LYS 57 2.551 15.121 -7.921 447 HB3 LYS 57 HB3 LYS 57 2.100 16.533 -6.972 448 HG2 LYS 57 HG2 LYS 57 0.536 14.768 -5.770 449 HG3 LYS 57 HG3 LYS 57 1.761 13.650 -6.371 450 HD2 LYS 57 HD2 LYS 57 3.417 15.419 -5.360 451 HD3 LYS 57 HD3 LYS 57 2.014 15.863 -4.386 452 HE2 LYS 57 HE2 LYS 57 3.052 13.045 -4.625 453 HE3 LYS 57 HE3 LYS 57 3.556 14.161 -3.356 454 HZ1 LYS 57 HZ1 LYS 57 0.729 13.412 -3.852 455 HZ2 LYS 57 HZ2 LYS 57 1.346 14.271 -2.532 456 HZ3 LYS 57 HZ3 LYS 57 1.719 12.632 -2.723 457 H GLY 58 H GLY 58 -0.502 17.783 -9.269 458 HA2 GLY 58 HA2 GLY 58 0.773 19.135 -10.911 459 HA3 GLY 58 HA3 GLY 58 1.279 17.610 -11.621 460 H MET 59 H MET 59 -1.927 17.535 -10.551 461 HA MET 59 HA MET 59 -2.881 18.038 -13.294 462 HB2 MET 59 HB2 MET 59 -3.963 16.101 -11.239 463 HB3 MET 59 HB3 MET 59 -4.674 16.399 -12.819 464 HG2 MET 59 HG2 MET 59 -1.837 15.488 -12.550 465 HG3 MET 59 HG3 MET 59 -3.175 14.342 -12.503 466 HE1 MET 59 HE1 MET 59 -1.650 13.849 -16.080 467 HE2 MET 59 HE2 MET 59 -0.974 13.923 -14.452 468 HE3 MET 59 HE3 MET 59 -2.425 12.967 -14.763 469 H MET 60 H MET 60 -2.816 19.392 -10.349 470 HA MET 60 HA MET 60 -5.363 20.772 -10.802 471 HB2 MET 60 HB2 MET 60 -4.433 19.856 -8.078 472 HB3 MET 60 HB3 MET 60 -5.923 20.715 -8.445 473 HG2 MET 60 HG2 MET 60 -5.340 18.046 -9.662 474 HG3 MET 60 HG3 MET 60 -6.022 18.185 -8.044 475 HE1 MET 60 HE1 MET 60 -7.628 17.555 -11.704 476 HE2 MET 60 HE2 MET 60 -6.943 16.659 -10.348 477 HE3 MET 60 HE3 MET 60 -8.688 16.897 -10.456 478 H VAL 61 H VAL 61 -5.320 22.534 -8.726 479 HA VAL 61 HA VAL 61 -2.996 24.176 -9.407 480 HB VAL 61 HB VAL 61 -4.225 26.062 -8.560 481 HG11 VAL 61 HG11 VAL 61 -6.437 24.725 -9.980 482 HG12 VAL 61 HG12 VAL 61 -5.617 26.248 -10.329 483 HG13 VAL 61 HG13 VAL 61 -4.875 24.718 -10.798 484 HG21 VAL 61 HG21 VAL 61 -6.450 25.850 -7.582 485 HG22 VAL 61 HG22 VAL 61 -6.348 24.093 -7.707 486 HG23 VAL 61 HG23 VAL 61 -5.258 24.966 -6.628 487 H LYS 62 H LYS 62 -2.042 25.520 -7.664 488 HA LYS 62 HA LYS 62 -0.944 23.990 -5.638 489 HB2 LYS 62 HB2 LYS 62 0.288 25.885 -5.967 490 HB3 LYS 62 HB3 LYS 62 -1.130 26.894 -6.211 491 HG2 LYS 62 HG2 LYS 62 -1.476 27.166 -3.914 492 HG3 LYS 62 HG3 LYS 62 -0.420 25.811 -3.507 493 HD2 LYS 62 HD2 LYS 62 0.619 28.261 -4.901 494 HD3 LYS 62 HD3 LYS 62 0.486 28.181 -3.143 495 HE2 LYS 62 HE2 LYS 62 1.908 26.181 -3.141 496 HE3 LYS 62 HE3 LYS 62 2.050 26.286 -4.895 497 HZ1 LYS 62 HZ1 LYS 62 2.873 28.500 -3.112 498 HZ2 LYS 62 HZ2 LYS 62 3.275 28.261 -4.738 499 HZ3 LYS 62 HZ3 LYS 62 3.931 27.255 -3.547 500 HA PRO 63 HA PRO 63 -4.085 25.910 -2.511 501 HB2 PRO 63 HB2 PRO 63 -6.178 27.300 -3.540 502 HB3 PRO 63 HB3 PRO 63 -4.636 28.054 -3.123 503 HG2 PRO 63 HG2 PRO 63 -5.649 27.173 -5.798 504 HG3 PRO 63 HG3 PRO 63 -4.790 28.661 -5.362 505 HD2 PRO 63 HD2 PRO 63 -3.553 26.552 -6.524 506 HD3 PRO 63 HD3 PRO 63 -2.732 27.626 -5.373 507 H PHE 64 H PHE 64 -4.171 23.460 -3.872 508 HA PHE 64 HA PHE 64 -6.781 22.562 -3.172 509 HB2 PHE 64 HB2 PHE 64 -7.383 23.459 -5.342 510 HB3 PHE 64 HB3 PHE 64 -6.044 22.608 -6.104 511 HD1 PHE 64 HD2 PHE 64 -6.112 20.159 -6.350 512 HD2 PHE 64 HD1 PHE 64 -9.434 22.361 -4.853 513 HE1 PHE 64 HE2 PHE 64 -7.580 18.231 -6.778 514 HE2 PHE 64 HE1 PHE 64 -10.905 20.437 -5.278 515 HZ PHE 64 HZ PHE 64 -9.979 18.368 -6.241 516 H GLU 65 H GLU 65 -4.200 21.610 -5.448 517 HA GLU 65 HA GLU 65 -4.252 18.892 -4.996 518 HB2 GLU 65 HB2 GLU 65 -2.925 19.927 -6.771 519 HB3 GLU 65 HB3 GLU 65 -1.840 20.621 -5.575 520 HG2 GLU 65 HG2 GLU 65 -0.648 18.794 -6.262 521 HG3 GLU 65 HG3 GLU 65 -1.489 18.148 -4.854 522 H ASP 66 H ASP 66 -2.490 21.380 -3.199 523 HA ASP 66 HA ASP 66 -0.966 19.796 -1.526 524 HB2 ASP 66 HB2 ASP 66 -0.570 22.108 -1.403 525 HB3 ASP 66 HB3 ASP 66 -2.270 22.477 -1.129 526 H ALA 67 H ALA 67 -4.234 21.059 -0.856 527 HA ALA 67 HA ALA 67 -4.499 19.160 1.349 528 HB1 ALA 67 HB1 ALA 67 -6.009 21.600 0.509 529 HB2 ALA 67 HB2 ALA 67 -6.741 20.431 1.610 530 HB3 ALA 67 HB3 ALA 67 -5.236 21.238 2.052 531 H ALA 68 H ALA 68 -4.488 18.248 -1.429 532 HA ALA 68 HA ALA 68 -7.262 17.360 -1.791 533 HB1 ALA 68 HB1 ALA 68 -6.287 18.353 -3.753 534 HB2 ALA 68 HB2 ALA 68 -4.900 17.267 -3.662 535 HB3 ALA 68 HB3 ALA 68 -6.500 16.624 -4.032 536 H PHE 69 H PHE 69 -4.059 16.231 -1.034 537 HA PHE 69 HA PHE 69 -5.094 13.476 -0.883 538 HB2 PHE 69 HB2 PHE 69 -2.562 12.899 -0.982 539 HB3 PHE 69 HB3 PHE 69 -3.389 13.346 -2.469 540 HD1 PHE 69 HD2 PHE 69 -1.729 15.160 0.343 541 HD2 PHE 69 HD1 PHE 69 -2.153 14.668 -3.863 542 HE1 PHE 69 HE2 PHE 69 -0.081 16.949 -0.028 543 HE2 PHE 69 HE1 PHE 69 -0.506 16.456 -4.241 544 HZ PHE 69 HZ PHE 69 0.534 17.598 -2.323 545 H LYS 70 H LYS 70 -4.269 16.091 0.934 546 HA LYS 70 HA LYS 70 -2.832 14.825 3.061 547 HB2 LYS 70 HB2 LYS 70 -4.234 17.472 2.769 548 HB3 LYS 70 HB3 LYS 70 -3.564 16.957 4.312 549 HG2 LYS 70 HG2 LYS 70 -1.356 16.884 3.411 550 HG3 LYS 70 HG3 LYS 70 -1.961 17.148 1.774 551 HD2 LYS 70 HD2 LYS 70 -1.017 19.198 2.712 552 HD3 LYS 70 HD3 LYS 70 -2.749 19.370 2.417 553 HE2 LYS 70 HE2 LYS 70 -3.245 19.520 4.623 554 HE3 LYS 70 HE3 LYS 70 -1.960 18.412 5.099 555 HZ1 LYS 70 HZ1 LYS 70 -1.393 20.549 5.905 556 HZ2 LYS 70 HZ2 LYS 70 -1.699 21.285 4.412 557 HZ3 LYS 70 HZ3 LYS 70 -0.373 20.250 4.589 558 H LEU 71 H LEU 71 -6.046 14.746 2.078 559 HA LEU 71 HA LEU 71 -7.188 14.427 4.720 560 HB2 LEU 71 HB2 LEU 71 -8.601 13.735 2.179 561 HB3 LEU 71 HB3 LEU 71 -9.265 14.355 3.689 562 HG LEU 71 HG LEU 71 -7.528 16.017 1.878 563 HD11 LEU 71 HD11 LEU 71 -9.278 16.634 0.591 564 HD12 LEU 71 HD12 LEU 71 -10.452 16.428 1.891 565 HD13 LEU 71 HD13 LEU 71 -9.859 15.022 1.008 566 HD21 LEU 71 HD21 LEU 71 -8.135 16.494 4.412 567 HD22 LEU 71 HD22 LEU 71 -9.624 17.097 3.684 568 HD23 LEU 71 HD23 LEU 71 -8.069 17.784 3.210 569 H GLN 72 H GLN 72 -8.909 12.417 4.619 570 HA GLN 72 HA GLN 72 -7.358 10.021 3.909 571 HB2 GLN 72 HB2 GLN 72 -7.920 8.965 5.993 572 HB3 GLN 72 HB3 GLN 72 -7.183 10.523 6.347 573 HG2 GLN 72 HG2 GLN 72 -9.355 11.489 6.784 574 HG3 GLN 72 HG3 GLN 72 -10.142 9.976 6.340 575 HE21 GLN 72 HE21 GLN 72 -10.239 8.331 7.793 576 HE22 GLN 72 HE22 GLN 72 -9.691 8.459 9.426 577 H VAL 73 H VAL 73 -8.689 8.041 3.792 578 HA VAL 73 HA VAL 73 -10.813 8.269 2.057 579 HB VAL 73 HB VAL 73 -10.350 6.027 4.029 580 HG11 VAL 73 HG11 VAL 73 -12.084 6.281 1.596 581 HG12 VAL 73 HG12 VAL 73 -11.489 4.711 2.137 582 HG13 VAL 73 HG13 VAL 73 -12.504 5.684 3.201 583 HG21 VAL 73 HG21 VAL 73 -8.373 6.367 2.722 584 HG22 VAL 73 HG22 VAL 73 -9.207 4.948 2.089 585 HG23 VAL 73 HG23 VAL 73 -9.314 6.487 1.235 586 H GLY 74 H GLY 74 -12.542 9.524 2.480 587 HA2 GLY 74 HA2 GLY 74 -14.741 9.701 3.314 588 HA3 GLY 74 HA3 GLY 74 -14.280 8.694 4.679 589 H GLU 75 H GLU 75 -12.621 11.583 3.499 590 HA GLU 75 HA GLU 75 -13.499 13.034 5.894 591 HB2 GLU 75 HB2 GLU 75 -10.915 11.963 5.532 592 HB3 GLU 75 HB3 GLU 75 -10.768 13.696 5.284 593 HG2 GLU 75 HG2 GLU 75 -12.179 13.810 7.492 594 HG3 GLU 75 HG3 GLU 75 -11.532 12.188 7.727 595 H VAL 76 H VAL 76 -13.864 15.177 5.603 596 HA VAL 76 HA VAL 76 -13.632 16.175 2.860 597 HB VAL 76 HB VAL 76 -15.180 17.305 5.197 598 HG11 VAL 76 HG11 VAL 76 -14.897 18.155 2.335 599 HG12 VAL 76 HG12 VAL 76 -16.329 18.566 3.280 600 HG13 VAL 76 HG13 VAL 76 -14.737 19.123 3.799 601 HG21 VAL 76 HG21 VAL 76 -16.705 16.337 2.927 602 HG22 VAL 76 HG22 VAL 76 -15.749 15.061 3.680 603 HG23 VAL 76 HG23 VAL 76 -16.897 15.990 4.645 604 H SER 77 H SER 77 -12.506 17.992 2.315 605 HA SER 77 HA SER 77 -10.463 18.846 4.169 606 HB2 SER 77 HB2 SER 77 -9.345 19.692 2.341 607 HB3 SER 77 HB3 SER 77 -10.339 18.471 1.546 608 HG SER 77 HG SER 77 -10.337 21.133 1.198 609 H GLU 78 H GLU 78 -10.053 21.476 3.468 610 HA GLU 78 HA GLU 78 -12.377 22.771 4.717 611 HB2 GLU 78 HB2 GLU 78 -10.543 24.639 5.042 612 HB3 GLU 78 HB3 GLU 78 -10.640 23.264 6.133 613 HG2 GLU 78 HG2 GLU 78 -8.867 22.144 4.885 614 HG3 GLU 78 HG3 GLU 78 -8.770 23.522 3.789 615 HA PRO 79 HA PRO 79 -13.213 25.294 1.229 616 HB2 PRO 79 HB2 PRO 79 -13.755 27.707 2.349 617 HB3 PRO 79 HB3 PRO 79 -14.847 26.323 2.474 618 HG2 PRO 79 HG2 PRO 79 -12.862 27.356 4.464 619 HG3 PRO 79 HG3 PRO 79 -14.521 26.787 4.730 620 HD2 PRO 79 HD2 PRO 79 -12.353 25.245 5.236 621 HD3 PRO 79 HD3 PRO 79 -13.901 24.568 4.689 622 H ILE 80 H ILE 80 -11.008 25.181 0.406 623 HA ILE 80 HA ILE 80 -9.117 27.226 1.092 624 HB ILE 80 HB ILE 80 -9.046 25.460 -1.349 625 HG12 ILE 80 HG12 ILE 80 -9.362 24.095 0.685 626 HG13 ILE 80 HG13 ILE 80 -7.769 23.856 -0.025 627 HG21 ILE 80 HG21 ILE 80 -7.307 26.858 -1.706 628 HG22 ILE 80 HG22 ILE 80 -7.164 27.290 -0.003 629 HG23 ILE 80 HG23 ILE 80 -6.493 25.767 -0.586 630 HD11 ILE 80 HD11 ILE 80 -6.882 25.486 1.651 631 HD12 ILE 80 HD12 ILE 80 -8.467 25.445 2.425 632 HD13 ILE 80 HD13 ILE 80 -7.497 23.977 2.322 633 H LYS 81 H LYS 81 -9.445 29.274 0.530 634 HA LYS 81 HA LYS 81 -11.083 30.039 -1.684 635 HB2 LYS 81 HB2 LYS 81 -10.901 31.388 0.381 636 HB3 LYS 81 HB3 LYS 81 -9.217 31.720 0.000 637 HG2 LYS 81 HG2 LYS 81 -9.985 33.567 -0.977 638 HG3 LYS 81 HG3 LYS 81 -10.498 32.502 -2.289 639 HD2 LYS 81 HD2 LYS 81 -12.469 33.584 -1.848 640 HD3 LYS 81 HD3 LYS 81 -12.625 32.203 -0.759 641 HE2 LYS 81 HE2 LYS 81 -12.109 33.482 1.123 642 HE3 LYS 81 HE3 LYS 81 -11.380 34.769 0.165 643 HZ1 LYS 81 HZ1 LYS 81 -13.928 34.728 1.143 644 HZ2 LYS 81 HZ2 LYS 81 -14.128 34.359 -0.496 645 HZ3 LYS 81 HZ3 LYS 81 -13.332 35.781 -0.039 646 H SER 82 H SER 82 -10.485 30.085 -3.738 647 HA SER 82 HA SER 82 -7.744 30.873 -4.413 648 HB2 SER 82 HB2 SER 82 -7.984 28.347 -4.424 649 HB3 SER 82 HB3 SER 82 -9.114 28.542 -5.764 650 HG SER 82 HG SER 82 -6.561 29.724 -5.872 651 H GLU 83 H GLU 83 -7.784 30.735 -7.092 652 HA GLU 83 HA GLU 83 -9.212 33.000 -7.871 653 HB2 GLU 83 HB2 GLU 83 -8.617 32.356 -10.186 654 HB3 GLU 83 HB3 GLU 83 -7.249 32.272 -9.084 655 HG2 GLU 83 HG2 GLU 83 -7.778 29.791 -8.880 656 HG3 GLU 83 HG3 GLU 83 -8.820 30.018 -10.282 657 H PHE 84 H PHE 84 -10.168 29.684 -7.717 658 HA PHE 84 HA PHE 84 -12.556 30.178 -9.332 659 HB2 PHE 84 HB2 PHE 84 -11.721 27.578 -8.043 660 HB3 PHE 84 HB3 PHE 84 -12.890 27.806 -9.340 661 HD1 PHE 84 HD1 PHE 84 -11.670 29.356 -11.325 662 HD2 PHE 84 HD2 PHE 84 -9.844 26.492 -8.762 663 HE1 PHE 84 HE1 PHE 84 -9.893 29.005 -12.990 664 HE2 PHE 84 HE2 PHE 84 -8.063 26.136 -10.421 665 HZ PHE 84 HZ PHE 84 -8.085 27.394 -12.538 666 H GLY 85 H GLY 85 -11.530 29.984 -6.069 667 HA2 GLY 85 HA2 GLY 85 -13.180 31.010 -4.503 668 HA3 GLY 85 HA3 GLY 85 -14.350 29.890 -5.187 669 H TYR 86 H TYR 86 -14.771 29.061 -3.095 670 HA TYR 86 HA TYR 86 -12.680 27.873 -1.536 671 HB2 TYR 86 HB2 TYR 86 -15.690 27.700 -1.326 672 HB3 TYR 86 HB3 TYR 86 -14.578 26.993 -0.159 673 HD1 TYR 86 HD2 TYR 86 -12.631 28.879 0.481 674 HD2 TYR 86 HD1 TYR 86 -16.686 29.627 -0.567 675 HE1 TYR 86 HE2 TYR 86 -12.547 31.013 1.701 676 HE2 TYR 86 HE1 TYR 86 -16.613 31.763 0.649 677 HH TYR 86 HH TYR 86 -14.045 32.596 2.750 678 H HIS 87 H HIS 87 -11.799 25.942 -1.825 679 HA HIS 87 HA HIS 87 -13.147 24.019 -3.580 680 HB2 HIS 87 HB2 HIS 87 -10.276 24.328 -2.711 681 HB3 HIS 87 HB3 HIS 87 -10.858 22.889 -3.543 682 HD1 HIS 87 HD1 HIS 87 -11.306 23.075 -6.051 683 HD2 HIS 87 HD2 HIS 87 -10.172 26.668 -4.298 684 HE1 HIS 87 HE1 HIS 87 -10.829 24.636 -7.964 685 H ILE 88 H ILE 88 -14.127 22.310 -2.740 686 HA ILE 88 HA ILE 88 -13.405 21.481 -0.007 687 HB ILE 88 HB ILE 88 -16.035 21.111 -1.445 688 HG12 ILE 88 HG12 ILE 88 -15.593 23.442 -0.752 689 HG13 ILE 88 HG13 ILE 88 -16.919 22.724 0.157 690 HG21 ILE 88 HG21 ILE 88 -16.493 20.634 1.204 691 HG22 ILE 88 HG22 ILE 88 -16.255 19.394 -0.025 692 HG23 ILE 88 HG23 ILE 88 -14.898 19.919 0.971 693 HD11 ILE 88 HD11 ILE 88 -15.533 24.009 1.633 694 HD12 ILE 88 HD12 ILE 88 -15.351 22.297 2.016 695 HD13 ILE 88 HD13 ILE 88 -14.094 23.135 1.105 696 H ILE 89 H ILE 89 -11.769 20.049 -0.656 697 HA ILE 89 HA ILE 89 -12.369 17.914 -2.510 698 HB ILE 89 HB ILE 89 -9.942 18.113 -0.737 699 HG12 ILE 89 HG12 ILE 89 -9.211 19.028 -3.254 700 HG13 ILE 89 HG13 ILE 89 -10.761 19.811 -2.962 701 HG21 ILE 89 HG21 ILE 89 -9.156 16.365 -1.872 702 HG22 ILE 89 HG22 ILE 89 -10.795 16.152 -2.484 703 HG23 ILE 89 HG23 ILE 89 -9.617 17.067 -3.423 704 HD11 ILE 89 HD11 ILE 89 -8.153 20.246 -1.697 705 HD12 ILE 89 HD12 ILE 89 -9.497 21.358 -1.957 706 HD13 ILE 89 HD13 ILE 89 -9.532 20.236 -0.598 707 H LYS 90 H LYS 90 -12.906 15.859 -2.035 708 HA LYS 90 HA LYS 90 -12.822 14.985 0.765 709 HB2 LYS 90 HB2 LYS 90 -15.099 15.788 0.332 710 HB3 LYS 90 HB3 LYS 90 -15.219 14.719 -1.060 711 HG2 LYS 90 HG2 LYS 90 -14.737 12.837 0.648 712 HG3 LYS 90 HG3 LYS 90 -15.214 14.039 1.849 713 HD2 LYS 90 HD2 LYS 90 -17.392 14.097 1.125 714 HD3 LYS 90 HD3 LYS 90 -16.971 13.608 -0.518 715 HE2 LYS 90 HE2 LYS 90 -16.598 11.341 0.203 716 HE3 LYS 90 HE3 LYS 90 -16.827 11.798 1.890 717 HZ1 LYS 90 HZ1 LYS 90 -18.852 11.651 -0.259 718 HZ2 LYS 90 HZ2 LYS 90 -19.131 12.527 1.162 719 HZ3 LYS 90 HZ3 LYS 90 -18.845 10.861 1.238 720 H ARG 91 H ARG 91 -11.813 13.102 0.928 721 HA ARG 91 HA ARG 91 -11.059 11.589 -1.357 722 HB2 ARG 91 HB2 ARG 91 -9.864 11.823 0.932 723 HB3 ARG 91 HB3 ARG 91 -10.945 10.538 1.454 724 HG2 ARG 91 HG2 ARG 91 -9.925 8.959 0.162 725 HG3 ARG 91 HG3 ARG 91 -9.392 10.133 -1.043 726 HD2 ARG 91 HD2 ARG 91 -7.505 10.667 0.111 727 HD3 ARG 91 HD3 ARG 91 -8.255 10.377 1.681 728 HE ARG 91 HE ARG 91 -8.068 7.901 0.572 729 HH11 ARG 91 HH11 ARG 91 -5.801 10.468 1.191 730 HH12 ARG 91 HH12 ARG 91 -4.454 9.402 1.412 731 HH21 ARG 91 HH21 ARG 91 -6.304 6.486 0.861 732 HH22 ARG 91 HH22 ARG 91 -4.740 7.136 1.223 733 H PHE 92 H PHE 92 -11.760 9.598 -2.074 734 HA PHE 92 HA PHE 92 -14.295 8.638 -0.918 735 HB2 PHE 92 HB2 PHE 92 -13.470 9.086 -3.749 736 HB3 PHE 92 HB3 PHE 92 -14.543 7.733 -3.404 737 HD1 PHE 92 HD1 PHE 92 -14.288 11.253 -2.180 738 HD2 PHE 92 HD2 PHE 92 -16.719 8.218 -3.910 739 HE1 PHE 92 HE1 PHE 92 -16.210 12.788 -2.165 740 HE2 PHE 92 HE2 PHE 92 -18.645 9.750 -3.897 741 HZ PHE 92 HZ PHE 92 -18.392 12.038 -3.023 742 H GLY 93 H GLY 93 -11.189 7.806 -2.295 743 HA2 GLY 93 HA2 GLY 93 -11.432 5.066 -2.611 744 HA3 GLY 93 HA3 GLY 93 -9.943 5.882 -2.154 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.634 3.120 -15.711 2 HA2 GLY 1 HA2 GLY 1 1.320 1.467 -15.973 3 HA3 GLY 1 HA3 GLY 1 2.709 0.540 -15.425 4 HA PRO 2 HA PRO 2 2.072 1.796 -11.280 5 HB2 PRO 2 HB2 PRO 2 4.581 2.296 -10.374 6 HB3 PRO 2 HB3 PRO 2 3.990 0.665 -10.715 7 HG2 PRO 2 HG2 PRO 2 5.698 2.452 -12.405 8 HG3 PRO 2 HG3 PRO 2 5.862 0.714 -12.094 9 HD2 PRO 2 HD2 PRO 2 4.763 1.691 -14.369 10 HD3 PRO 2 HD3 PRO 2 4.244 0.158 -13.640 11 H SER 3 H SER 3 1.270 3.620 -10.467 12 HA SER 3 HA SER 3 2.786 6.090 -10.583 13 HB2 SER 3 HB2 SER 3 -0.036 6.097 -11.652 14 HB3 SER 3 HB3 SER 3 1.159 7.392 -11.723 15 HG SER 3 HG SER 3 0.828 6.103 -13.698 16 H ASN 4 H ASN 4 1.755 7.821 -9.290 17 HA ASN 4 HA ASN 4 0.364 6.642 -6.994 18 HB2 ASN 4 HB2 ASN 4 1.684 9.355 -7.134 19 HB3 ASN 4 HB3 ASN 4 1.198 8.470 -5.691 20 HD21 ASN 4 HD21 ASN 4 2.586 7.083 -4.781 21 HD22 ASN 4 HD22 ASN 4 4.144 6.691 -5.414 22 H LYS 5 H LYS 5 -1.743 6.955 -6.807 23 HA LYS 5 HA LYS 5 -2.925 9.531 -7.355 24 HB2 LYS 5 HB2 LYS 5 -4.734 8.068 -8.743 25 HB3 LYS 5 HB3 LYS 5 -3.436 8.990 -9.489 26 HG2 LYS 5 HG2 LYS 5 -3.571 6.755 -10.424 27 HG3 LYS 5 HG3 LYS 5 -2.045 6.988 -9.567 28 HD2 LYS 5 HD2 LYS 5 -2.514 5.375 -8.083 29 HD3 LYS 5 HD3 LYS 5 -4.174 5.937 -7.868 30 HE2 LYS 5 HE2 LYS 5 -4.977 4.629 -9.594 31 HE3 LYS 5 HE3 LYS 5 -3.404 4.521 -10.383 32 HZ1 LYS 5 HZ1 LYS 5 -3.190 2.551 -9.420 33 HZ2 LYS 5 HZ2 LYS 5 -4.574 2.775 -8.472 34 HZ3 LYS 5 HZ3 LYS 5 -3.074 3.335 -7.924 35 H ILE 6 H ILE 6 -5.159 9.664 -6.632 36 HA ILE 6 HA ILE 6 -6.191 7.442 -5.074 37 HB ILE 6 HB ILE 6 -6.450 8.787 -3.023 38 HG12 ILE 6 HG12 ILE 6 -4.389 10.717 -3.985 39 HG13 ILE 6 HG13 ILE 6 -6.055 10.968 -4.492 40 HG21 ILE 6 HG21 ILE 6 -4.224 8.498 -2.215 41 HG22 ILE 6 HG22 ILE 6 -4.540 7.218 -3.386 42 HG23 ILE 6 HG23 ILE 6 -3.559 8.609 -3.845 43 HD11 ILE 6 HD11 ILE 6 -5.640 12.270 -2.538 44 HD12 ILE 6 HD12 ILE 6 -6.717 10.944 -2.100 45 HD13 ILE 6 HD13 ILE 6 -5.007 10.868 -1.677 46 H LYS 7 H LYS 7 -8.386 7.706 -4.446 47 HA LYS 7 HA LYS 7 -9.909 9.274 -6.297 48 HB2 LYS 7 HB2 LYS 7 -10.357 7.002 -4.688 49 HB3 LYS 7 HB3 LYS 7 -11.506 8.218 -4.146 50 HG2 LYS 7 HG2 LYS 7 -11.910 8.484 -6.743 51 HG3 LYS 7 HG3 LYS 7 -11.303 6.826 -6.757 52 HD2 LYS 7 HD2 LYS 7 -13.338 6.138 -6.177 53 HD3 LYS 7 HD3 LYS 7 -13.131 6.964 -4.631 54 HE2 LYS 7 HE2 LYS 7 -14.150 8.947 -5.469 55 HE3 LYS 7 HE3 LYS 7 -14.127 8.332 -7.122 56 HZ1 LYS 7 HZ1 LYS 7 -16.300 8.232 -5.763 57 HZ2 LYS 7 HZ2 LYS 7 -15.602 6.876 -5.031 58 HZ3 LYS 7 HZ3 LYS 7 -15.859 6.896 -6.702 59 H CYS 8 H CYS 8 -11.237 11.026 -5.894 60 HA CYS 8 HA CYS 8 -11.790 12.106 -3.364 61 HB2 CYS 8 HB2 CYS 8 -10.327 14.092 -3.401 62 HB3 CYS 8 HB3 CYS 8 -9.404 12.600 -3.274 63 HG CYS 8 HG CYS 8 -9.428 14.898 -5.717 64 H SER 9 H SER 9 -12.860 14.207 -3.488 65 HA SER 9 HA SER 9 -13.883 14.751 -6.199 66 HB2 SER 9 HB2 SER 9 -15.381 15.155 -3.603 67 HB3 SER 9 HB3 SER 9 -16.025 15.310 -5.237 68 HG SER 9 HG SER 9 -15.254 12.976 -5.373 69 H HIS 10 H HIS 10 -15.290 17.053 -5.685 70 HA HIS 10 HA HIS 10 -13.862 19.004 -4.227 71 HB2 HIS 10 HB2 HIS 10 -12.878 20.272 -6.085 72 HB3 HIS 10 HB3 HIS 10 -12.167 18.666 -5.965 73 HD1 HIS 10 HD1 HIS 10 -13.515 20.934 -8.374 74 HD2 HIS 10 HD2 HIS 10 -13.505 16.805 -7.911 75 HE1 HIS 10 HE1 HIS 10 -14.048 20.001 -10.647 76 H ILE 11 H ILE 11 -14.911 20.989 -4.203 77 HA ILE 11 HA ILE 11 -17.149 21.401 -6.029 78 HB ILE 11 HB ILE 11 -17.466 21.300 -3.028 79 HG12 ILE 11 HG12 ILE 11 -18.900 19.766 -5.204 80 HG13 ILE 11 HG13 ILE 11 -17.550 19.130 -4.271 81 HG21 ILE 11 HG21 ILE 11 -19.836 21.920 -3.496 82 HG22 ILE 11 HG22 ILE 11 -18.673 23.207 -3.815 83 HG23 ILE 11 HG23 ILE 11 -19.358 22.286 -5.154 84 HD11 ILE 11 HD11 ILE 11 -19.640 18.310 -3.395 85 HD12 ILE 11 HD12 ILE 11 -18.878 19.386 -2.223 86 HD13 ILE 11 HD13 ILE 11 -20.235 19.958 -3.194 87 H LEU 12 H LEU 12 -17.233 23.453 -6.664 88 HA LEU 12 HA LEU 12 -15.748 25.454 -5.106 89 HB2 LEU 12 HB2 LEU 12 -16.309 25.068 -7.992 90 HB3 LEU 12 HB3 LEU 12 -16.188 26.725 -7.404 91 HG LEU 12 HG LEU 12 -14.070 26.006 -8.320 92 HD11 LEU 12 HD11 LEU 12 -13.049 25.897 -5.684 93 HD12 LEU 12 HD12 LEU 12 -14.465 26.948 -5.665 94 HD13 LEU 12 HD13 LEU 12 -13.132 27.283 -6.772 95 HD21 LEU 12 HD21 LEU 12 -14.699 23.523 -7.468 96 HD22 LEU 12 HD22 LEU 12 -13.548 24.006 -6.223 97 HD23 LEU 12 HD23 LEU 12 -13.071 24.027 -7.921 98 H VAL 13 H VAL 13 -16.724 27.225 -4.294 99 HA VAL 13 HA VAL 13 -19.513 27.762 -5.055 100 HB VAL 13 HB VAL 13 -20.125 28.169 -2.727 101 HG11 VAL 13 HG11 VAL 13 -20.647 25.997 -3.512 102 HG12 VAL 13 HG12 VAL 13 -18.976 25.455 -3.339 103 HG13 VAL 13 HG13 VAL 13 -19.949 25.789 -1.906 104 HG21 VAL 13 HG21 VAL 13 -18.674 27.684 -0.892 105 HG22 VAL 13 HG22 VAL 13 -17.433 27.043 -1.969 106 HG23 VAL 13 HG23 VAL 13 -17.809 28.766 -1.983 107 H SER 14 H SER 14 -20.127 29.896 -3.618 108 HA SER 14 HA SER 14 -17.978 31.841 -4.160 109 HB2 SER 14 HB2 SER 14 -20.876 31.885 -4.871 110 HB3 SER 14 HB3 SER 14 -20.104 33.414 -4.451 111 HG SER 14 HG SER 14 -19.180 33.399 -6.329 112 H LYS 15 H LYS 15 -19.444 30.354 -1.739 113 HA LYS 15 HA LYS 15 -18.982 32.544 0.100 114 HB2 LYS 15 HB2 LYS 15 -21.232 32.091 1.222 115 HB3 LYS 15 HB3 LYS 15 -21.256 33.025 -0.268 116 HG2 LYS 15 HG2 LYS 15 -22.192 31.303 -1.490 117 HG3 LYS 15 HG3 LYS 15 -21.652 30.065 -0.353 118 HD2 LYS 15 HD2 LYS 15 -24.063 30.408 -0.199 119 HD3 LYS 15 HD3 LYS 15 -23.260 30.882 1.300 120 HE2 LYS 15 HE2 LYS 15 -23.746 33.081 1.024 121 HE3 LYS 15 HE3 LYS 15 -23.635 32.996 -0.734 122 HZ1 LYS 15 HZ1 LYS 15 -25.892 31.956 0.892 123 HZ2 LYS 15 HZ2 LYS 15 -25.788 31.926 -0.796 124 HZ3 LYS 15 HZ3 LYS 15 -25.903 33.405 0.018 125 H GLN 16 H GLN 16 -18.504 31.868 2.179 126 HA GLN 16 HA GLN 16 -17.483 29.265 2.473 127 HB2 GLN 16 HB2 GLN 16 -17.906 31.595 4.278 128 HB3 GLN 16 HB3 GLN 16 -17.600 30.030 5.021 129 HG2 GLN 16 HG2 GLN 16 -15.625 30.042 3.221 130 HG3 GLN 16 HG3 GLN 16 -15.803 31.779 3.468 131 HE21 GLN 16 HE21 GLN 16 -14.772 32.650 5.122 132 HE22 GLN 16 HE22 GLN 16 -14.105 31.791 6.465 133 H SER 17 H SER 17 -20.583 30.670 3.238 134 HA SER 17 HA SER 17 -21.554 28.774 5.041 135 HB2 SER 17 HB2 SER 17 -23.045 30.490 4.939 136 HB3 SER 17 HB3 SER 17 -22.741 30.787 3.227 137 HG SER 17 HG SER 17 -24.507 28.974 4.438 138 H GLU 18 H GLU 18 -20.955 28.544 1.664 139 HA GLU 18 HA GLU 18 -22.632 26.172 1.369 140 HB2 GLU 18 HB2 GLU 18 -21.080 27.878 -0.560 141 HB3 GLU 18 HB3 GLU 18 -21.685 26.295 -1.029 142 HG2 GLU 18 HG2 GLU 18 -23.952 26.982 -0.598 143 HG3 GLU 18 HG3 GLU 18 -23.396 28.537 0.018 144 H ALA 19 H ALA 19 -19.228 27.100 0.877 145 HA ALA 19 HA ALA 19 -18.233 24.542 0.358 146 HB1 ALA 19 HB1 ALA 19 -16.035 25.506 1.135 147 HB2 ALA 19 HB2 ALA 19 -16.858 26.402 -0.143 148 HB3 ALA 19 HB3 ALA 19 -16.917 26.984 1.520 149 H LEU 20 H LEU 20 -18.641 26.269 3.422 150 HA LEU 20 HA LEU 20 -17.531 24.095 4.960 151 HB2 LEU 20 HB2 LEU 20 -17.495 26.628 5.488 152 HB3 LEU 20 HB3 LEU 20 -19.124 26.357 6.104 153 HG LEU 20 HG LEU 20 -18.137 24.631 7.648 154 HD11 LEU 20 HD11 LEU 20 -16.031 24.403 6.265 155 HD12 LEU 20 HD12 LEU 20 -15.810 24.531 8.009 156 HD13 LEU 20 HD13 LEU 20 -15.511 25.930 6.977 157 HD21 LEU 20 HD21 LEU 20 -17.608 27.557 7.774 158 HD22 LEU 20 HD22 LEU 20 -16.922 26.518 9.023 159 HD23 LEU 20 HD23 LEU 20 -18.667 26.555 8.767 160 H ALA 21 H ALA 21 -20.400 24.509 3.419 161 HA ALA 21 HA ALA 21 -22.120 23.382 5.467 162 HB1 ALA 21 HB1 ALA 21 -22.487 24.743 2.944 163 HB2 ALA 21 HB2 ALA 21 -23.493 23.298 3.054 164 HB3 ALA 21 HB3 ALA 21 -23.605 24.548 4.294 165 H ILE 22 H ILE 22 -20.274 22.319 2.717 166 HA ILE 22 HA ILE 22 -21.571 19.848 2.272 167 HB ILE 22 HB ILE 22 -18.713 20.650 1.712 168 HG12 ILE 22 HG12 ILE 22 -20.159 20.409 -0.667 169 HG13 ILE 22 HG13 ILE 22 -21.254 21.235 0.436 170 HG21 ILE 22 HG21 ILE 22 -18.476 18.414 1.480 171 HG22 ILE 22 HG22 ILE 22 -20.203 18.143 1.261 172 HG23 ILE 22 HG23 ILE 22 -19.224 18.725 -0.085 173 HD11 ILE 22 HD11 ILE 22 -19.234 22.764 0.919 174 HD12 ILE 22 HD12 ILE 22 -18.594 22.112 -0.589 175 HD13 ILE 22 HD13 ILE 22 -20.134 22.971 -0.583 176 H MET 23 H MET 23 -19.317 20.918 4.663 177 HA MET 23 HA MET 23 -18.523 18.240 5.432 178 HB2 MET 23 HB2 MET 23 -17.130 19.288 7.068 179 HB3 MET 23 HB3 MET 23 -16.988 20.220 5.583 180 HG2 MET 23 HG2 MET 23 -17.477 22.039 6.734 181 HG3 MET 23 HG3 MET 23 -19.089 21.384 7.016 182 HE1 MET 23 HE1 MET 23 -15.465 21.699 9.558 183 HE2 MET 23 HE2 MET 23 -15.593 19.978 9.198 184 HE3 MET 23 HE3 MET 23 -15.527 21.151 7.883 185 H GLU 24 H GLU 24 -21.190 20.169 5.947 186 HA GLU 24 HA GLU 24 -21.737 18.998 8.587 187 HB2 GLU 24 HB2 GLU 24 -23.429 21.130 7.332 188 HB3 GLU 24 HB3 GLU 24 -23.184 20.768 9.035 189 HG2 GLU 24 HG2 GLU 24 -20.671 21.457 8.266 190 HG3 GLU 24 HG3 GLU 24 -21.656 22.494 7.235 191 H LYS 25 H LYS 25 -23.346 19.688 5.486 192 HA LYS 25 HA LYS 25 -25.682 18.254 5.914 193 HB2 LYS 25 HB2 LYS 25 -24.195 18.583 3.302 194 HB3 LYS 25 HB3 LYS 25 -25.892 18.154 3.474 195 HG2 LYS 25 HG2 LYS 25 -24.972 20.668 4.749 196 HG3 LYS 25 HG3 LYS 25 -25.101 20.631 2.989 197 HD2 LYS 25 HD2 LYS 25 -27.235 21.245 3.437 198 HD3 LYS 25 HD3 LYS 25 -27.448 19.502 3.628 199 HE2 LYS 25 HE2 LYS 25 -26.726 20.031 6.105 200 HE3 LYS 25 HE3 LYS 25 -27.304 21.645 5.694 201 HZ1 LYS 25 HZ1 LYS 25 -29.449 20.892 5.389 202 HZ2 LYS 25 HZ2 LYS 25 -28.938 19.954 6.700 203 HZ3 LYS 25 HZ3 LYS 25 -28.981 19.285 5.148 204 H LEU 26 H LEU 26 -22.509 17.139 4.898 205 HA LEU 26 HA LEU 26 -23.502 14.408 4.591 206 HB2 LEU 26 HB2 LEU 26 -20.655 15.278 4.245 207 HB3 LEU 26 HB3 LEU 26 -21.480 13.893 3.533 208 HG LEU 26 HG LEU 26 -21.894 16.787 2.782 209 HD11 LEU 26 HD11 LEU 26 -20.658 14.552 1.188 210 HD12 LEU 26 HD12 LEU 26 -19.735 15.764 2.073 211 HD13 LEU 26 HD13 LEU 26 -20.778 16.253 0.738 212 HD21 LEU 26 HD21 LEU 26 -23.518 14.441 2.378 213 HD22 LEU 26 HD22 LEU 26 -22.961 15.094 0.837 214 HD23 LEU 26 HD23 LEU 26 -23.849 16.123 1.963 215 H LYS 27 H LYS 27 -23.185 15.916 7.195 216 HA LYS 27 HA LYS 27 -21.066 15.022 8.719 217 HB2 LYS 27 HB2 LYS 27 -22.577 16.628 9.636 218 HB3 LYS 27 HB3 LYS 27 -23.942 15.529 9.478 219 HG2 LYS 27 HG2 LYS 27 -21.698 14.610 11.163 220 HG3 LYS 27 HG3 LYS 27 -22.661 15.954 11.781 221 HD2 LYS 27 HD2 LYS 27 -24.646 14.347 11.007 222 HD3 LYS 27 HD3 LYS 27 -23.414 13.122 11.317 223 HE2 LYS 27 HE2 LYS 27 -24.547 13.347 13.353 224 HE3 LYS 27 HE3 LYS 27 -23.072 14.290 13.563 225 HZ1 LYS 27 HZ1 LYS 27 -25.305 15.787 12.515 226 HZ2 LYS 27 HZ2 LYS 27 -24.220 16.184 13.750 227 HZ3 LYS 27 HZ3 LYS 27 -25.549 15.192 14.079 228 H SER 28 H SER 28 -23.934 13.298 7.698 229 HA SER 28 HA SER 28 -23.055 10.937 9.216 230 HB2 SER 28 HB2 SER 28 -25.439 11.869 9.464 231 HB3 SER 28 HB3 SER 28 -25.724 11.231 7.845 232 HG SER 28 HG SER 28 -24.962 9.784 10.163 233 H GLY 29 H GLY 29 -23.511 12.227 6.042 234 HA2 GLY 29 HA2 GLY 29 -22.150 11.167 4.289 235 HA3 GLY 29 HA3 GLY 29 -22.696 9.619 4.914 236 H GLU 30 H GLU 30 -24.502 12.592 4.182 237 HA GLU 30 HA GLU 30 -26.708 11.278 3.086 238 HB2 GLU 30 HB2 GLU 30 -25.708 14.085 2.576 239 HB3 GLU 30 HB3 GLU 30 -27.297 13.491 2.117 240 HG2 GLU 30 HG2 GLU 30 -26.219 13.747 4.915 241 HG3 GLU 30 HG3 GLU 30 -27.439 14.768 4.156 242 H LYS 31 H LYS 31 -24.612 13.385 1.141 243 HA LYS 31 HA LYS 31 -23.786 11.481 -0.729 244 HB2 LYS 31 HB2 LYS 31 -26.492 11.946 -0.996 245 HB3 LYS 31 HB3 LYS 31 -25.793 13.027 -2.193 246 HG2 LYS 31 HG2 LYS 31 -24.931 11.304 -3.447 247 HG3 LYS 31 HG3 LYS 31 -24.883 10.190 -2.078 248 HD2 LYS 31 HD2 LYS 31 -26.633 9.542 -3.632 249 HD3 LYS 31 HD3 LYS 31 -27.340 10.077 -2.106 250 HE2 LYS 31 HE2 LYS 31 -28.089 12.087 -3.022 251 HE3 LYS 31 HE3 LYS 31 -26.984 11.983 -4.392 252 HZ1 LYS 31 HZ1 LYS 31 -29.452 11.470 -4.766 253 HZ2 LYS 31 HZ2 LYS 31 -29.121 9.983 -4.030 254 HZ3 LYS 31 HZ3 LYS 31 -28.308 10.426 -5.447 255 H PHE 32 H PHE 32 -21.898 12.570 -0.890 256 HA PHE 32 HA PHE 32 -21.474 15.290 -0.930 257 HB2 PHE 32 HB2 PHE 32 -19.675 13.615 -0.736 258 HB3 PHE 32 HB3 PHE 32 -19.890 13.197 -2.432 259 HD1 PHE 32 HD1 PHE 32 -19.412 14.938 -4.180 260 HD2 PHE 32 HD2 PHE 32 -18.330 15.422 -0.092 261 HE1 PHE 32 HE1 PHE 32 -17.803 16.688 -4.816 262 HE2 PHE 32 HE2 PHE 32 -16.720 17.173 -0.721 263 HZ PHE 32 HZ PHE 32 -16.454 17.808 -3.086 264 H GLY 33 H GLY 33 -22.115 13.139 -3.674 265 HA2 GLY 33 HA2 GLY 33 -21.779 15.008 -5.730 266 HA3 GLY 33 HA3 GLY 33 -22.800 13.581 -5.818 267 H LYS 34 H LYS 34 -24.494 14.441 -3.590 268 HA LYS 34 HA LYS 34 -26.460 15.823 -5.050 269 HB2 LYS 34 HB2 LYS 34 -26.955 14.335 -3.144 270 HB3 LYS 34 HB3 LYS 34 -26.218 15.500 -2.053 271 HG2 LYS 34 HG2 LYS 34 -27.943 17.041 -2.336 272 HG3 LYS 34 HG3 LYS 34 -28.517 16.263 -3.813 273 HD2 LYS 34 HD2 LYS 34 -29.550 14.541 -2.656 274 HD3 LYS 34 HD3 LYS 34 -28.545 14.766 -1.224 275 HE2 LYS 34 HE2 LYS 34 -30.550 15.651 -0.517 276 HE3 LYS 34 HE3 LYS 34 -29.724 17.090 -1.112 277 HZ1 LYS 34 HZ1 LYS 34 -32.056 16.897 -1.860 278 HZ2 LYS 34 HZ2 LYS 34 -31.648 15.494 -2.713 279 HZ3 LYS 34 HZ3 LYS 34 -30.954 16.976 -3.142 280 H LEU 35 H LEU 35 -23.761 16.934 -3.244 281 HA LEU 35 HA LEU 35 -24.841 19.661 -3.126 282 HB2 LEU 35 HB2 LEU 35 -22.207 18.856 -1.969 283 HB3 LEU 35 HB3 LEU 35 -23.298 20.146 -1.468 284 HG LEU 35 HG LEU 35 -23.677 17.190 -0.995 285 HD11 LEU 35 HD11 LEU 35 -22.836 19.488 0.734 286 HD12 LEU 35 HD12 LEU 35 -22.070 17.912 0.529 287 HD13 LEU 35 HD13 LEU 35 -23.587 18.046 1.420 288 HD21 LEU 35 HD21 LEU 35 -25.846 17.648 -0.839 289 HD22 LEU 35 HD22 LEU 35 -25.562 19.379 -1.029 290 HD23 LEU 35 HD23 LEU 35 -25.462 18.638 0.569 291 H ALA 36 H ALA 36 -22.426 17.684 -4.652 292 HA ALA 36 HA ALA 36 -20.905 19.884 -5.712 293 HB1 ALA 36 HB1 ALA 36 -20.883 16.929 -6.283 294 HB2 ALA 36 HB2 ALA 36 -19.815 18.082 -7.084 295 HB3 ALA 36 HB3 ALA 36 -19.722 17.859 -5.337 296 H LYS 37 H LYS 37 -23.746 18.182 -6.609 297 HA LYS 37 HA LYS 37 -23.582 18.860 -9.418 298 HB2 LYS 37 HB2 LYS 37 -24.819 16.845 -8.147 299 HB3 LYS 37 HB3 LYS 37 -26.154 17.986 -8.221 300 HG2 LYS 37 HG2 LYS 37 -25.799 18.149 -10.676 301 HG3 LYS 37 HG3 LYS 37 -24.592 16.869 -10.537 302 HD2 LYS 37 HD2 LYS 37 -26.610 15.809 -11.177 303 HD3 LYS 37 HD3 LYS 37 -26.396 15.462 -9.459 304 HE2 LYS 37 HE2 LYS 37 -28.133 16.817 -8.830 305 HE3 LYS 37 HE3 LYS 37 -27.963 17.869 -10.234 306 HZ1 LYS 37 HZ1 LYS 37 -28.662 15.504 -11.336 307 HZ2 LYS 37 HZ2 LYS 37 -29.730 16.773 -11.003 308 HZ3 LYS 37 HZ3 LYS 37 -29.561 15.501 -9.902 309 H GLU 38 H GLU 38 -24.092 20.674 -6.792 310 HA GLU 38 HA GLU 38 -25.790 22.552 -8.269 311 HB2 GLU 38 HB2 GLU 38 -26.147 22.093 -5.312 312 HB3 GLU 38 HB3 GLU 38 -27.170 23.028 -6.394 313 HG2 GLU 38 HG2 GLU 38 -27.387 20.654 -7.579 314 HG3 GLU 38 HG3 GLU 38 -27.055 20.112 -5.936 315 H LEU 39 H LEU 39 -24.030 22.275 -5.176 316 HA LEU 39 HA LEU 39 -23.361 24.961 -4.919 317 HB2 LEU 39 HB2 LEU 39 -21.721 22.602 -4.009 318 HB3 LEU 39 HB3 LEU 39 -21.640 24.244 -3.372 319 HG LEU 39 HG LEU 39 -23.933 22.305 -3.084 320 HD11 LEU 39 HD11 LEU 39 -22.220 23.536 -0.942 321 HD12 LEU 39 HD12 LEU 39 -21.858 21.976 -1.681 322 HD13 LEU 39 HD13 LEU 39 -23.365 22.203 -0.795 323 HD21 LEU 39 HD21 LEU 39 -25.143 24.212 -3.054 324 HD22 LEU 39 HD22 LEU 39 -23.743 25.226 -2.705 325 HD23 LEU 39 HD23 LEU 39 -24.521 24.320 -1.407 326 H SER 40 H SER 40 -21.442 22.322 -6.340 327 HA SER 40 HA SER 40 -19.166 23.721 -7.018 328 HB2 SER 40 HB2 SER 40 -19.833 21.192 -7.344 329 HB3 SER 40 HB3 SER 40 -20.266 21.730 -8.967 330 HG SER 40 HG SER 40 -17.856 21.167 -8.019 331 H ILE 41 H ILE 41 -19.208 25.689 -7.919 332 HA ILE 41 HA ILE 41 -21.123 26.439 -9.919 333 HB ILE 41 HB ILE 41 -19.803 28.552 -10.051 334 HG12 ILE 41 HG12 ILE 41 -18.249 27.867 -7.641 335 HG13 ILE 41 HG13 ILE 41 -17.724 27.057 -9.113 336 HG21 ILE 41 HG21 ILE 41 -20.404 27.829 -7.196 337 HG22 ILE 41 HG22 ILE 41 -20.566 29.397 -7.986 338 HG23 ILE 41 HG23 ILE 41 -21.667 28.084 -8.401 339 HD11 ILE 41 HD11 ILE 41 -18.037 29.652 -9.933 340 HD12 ILE 41 HD12 ILE 41 -17.415 29.825 -8.292 341 HD13 ILE 41 HD13 ILE 41 -16.516 28.884 -9.480 342 H ASP 42 H ASP 42 -17.979 25.045 -9.921 343 HA ASP 42 HA ASP 42 -17.040 25.899 -12.429 344 HB2 ASP 42 HB2 ASP 42 -15.525 24.837 -10.896 345 HB3 ASP 42 HB3 ASP 42 -16.505 23.373 -10.860 346 H SER 43 H SER 43 -18.040 25.652 -14.308 347 HA SER 43 HA SER 43 -20.176 24.004 -14.869 348 HB2 SER 43 HB2 SER 43 -19.870 24.553 -17.160 349 HB3 SER 43 HB3 SER 43 -19.264 25.942 -16.258 350 HG SER 43 HG SER 43 -17.848 23.988 -17.688 351 H GLY 44 H GLY 44 -16.726 23.336 -15.212 352 HA2 GLY 44 HA2 GLY 44 -17.270 20.685 -16.298 353 HA3 GLY 44 HA3 GLY 44 -15.687 21.417 -16.078 354 H SER 45 H SER 45 -18.338 20.897 -13.769 355 HA SER 45 HA SER 45 -16.912 18.798 -12.410 356 HB2 SER 45 HB2 SER 45 -15.705 20.709 -11.513 357 HB3 SER 45 HB3 SER 45 -17.220 21.506 -11.091 358 HG SER 45 HG SER 45 -17.614 19.842 -9.602 359 H ALA 46 H ALA 46 -19.520 21.182 -12.298 360 HA ALA 46 HA ALA 46 -21.142 19.808 -10.435 361 HB1 ALA 46 HB1 ALA 46 -21.232 22.259 -11.607 362 HB2 ALA 46 HB2 ALA 46 -22.555 21.430 -12.428 363 HB3 ALA 46 HB3 ALA 46 -22.543 21.545 -10.668 364 H LYS 47 H LYS 47 -20.363 19.116 -13.650 365 HA LYS 47 HA LYS 47 -22.841 17.725 -14.248 366 HB2 LYS 47 HB2 LYS 47 -20.302 18.256 -15.758 367 HB3 LYS 47 HB3 LYS 47 -21.433 17.034 -16.324 368 HG2 LYS 47 HG2 LYS 47 -22.535 19.708 -15.693 369 HG3 LYS 47 HG3 LYS 47 -21.528 19.558 -17.135 370 HD2 LYS 47 HD2 LYS 47 -23.068 17.444 -17.546 371 HD3 LYS 47 HD3 LYS 47 -24.183 18.360 -16.530 372 HE2 LYS 47 HE2 LYS 47 -24.064 20.245 -18.038 373 HE3 LYS 47 HE3 LYS 47 -22.844 19.428 -19.014 374 HZ1 LYS 47 HZ1 LYS 47 -25.673 19.207 -19.127 375 HZ2 LYS 47 HZ2 LYS 47 -24.973 17.688 -18.873 376 HZ3 LYS 47 HZ3 LYS 47 -24.511 18.618 -20.208 377 H LYS 48 H LYS 48 -19.764 17.053 -12.888 378 HA LYS 48 HA LYS 48 -20.290 14.159 -13.079 379 HB2 LYS 48 HB2 LYS 48 -17.767 14.010 -12.539 380 HB3 LYS 48 HB3 LYS 48 -18.250 14.454 -14.171 381 HG2 LYS 48 HG2 LYS 48 -17.818 16.670 -12.265 382 HG3 LYS 48 HG3 LYS 48 -16.391 15.775 -12.791 383 HD2 LYS 48 HD2 LYS 48 -18.351 16.649 -14.852 384 HD3 LYS 48 HD3 LYS 48 -17.288 17.864 -14.139 385 HE2 LYS 48 HE2 LYS 48 -16.236 15.279 -15.250 386 HE3 LYS 48 HE3 LYS 48 -16.492 16.694 -16.269 387 HZ1 LYS 48 HZ1 LYS 48 -15.038 17.298 -13.875 388 HZ2 LYS 48 HZ2 LYS 48 -14.663 17.659 -15.485 389 HZ3 LYS 48 HZ3 LYS 48 -14.247 16.152 -14.838 390 H ASN 49 H ASN 49 -21.311 16.106 -11.102 391 HA ASN 49 HA ASN 49 -21.589 16.337 -8.852 392 HB2 ASN 49 HB2 ASN 49 -20.728 13.443 -8.992 393 HB3 ASN 49 HB3 ASN 49 -21.376 14.201 -7.542 394 HD21 ASN 49 HD21 ASN 49 -23.516 15.316 -7.871 395 HD22 ASN 49 HD22 ASN 49 -24.680 14.487 -8.841 396 H GLY 50 H GLY 50 -18.984 17.057 -9.946 397 HA2 GLY 50 HA2 GLY 50 -16.923 17.733 -9.197 398 HA3 GLY 50 HA3 GLY 50 -17.616 17.650 -7.585 399 H ASN 51 H ASN 51 -17.635 14.749 -9.423 400 HA ASN 51 HA ASN 51 -15.620 13.626 -7.625 401 HB2 ASN 51 HB2 ASN 51 -17.704 12.410 -7.697 402 HB3 ASN 51 HB3 ASN 51 -17.641 12.318 -9.454 403 HD21 ASN 51 HD21 ASN 51 -17.054 10.425 -10.195 404 HD22 ASN 51 HD22 ASN 51 -15.985 9.309 -9.422 405 H LEU 52 H LEU 52 -13.806 14.580 -8.700 406 HA LEU 52 HA LEU 52 -13.230 14.140 -11.436 407 HB2 LEU 52 HB2 LEU 52 -10.914 14.784 -10.801 408 HB3 LEU 52 HB3 LEU 52 -12.153 15.935 -10.303 409 HG LEU 52 HG LEU 52 -11.987 14.612 -8.028 410 HD11 LEU 52 HD11 LEU 52 -10.298 13.197 -7.802 411 HD12 LEU 52 HD12 LEU 52 -9.148 14.419 -8.344 412 HD13 LEU 52 HD13 LEU 52 -9.954 13.383 -9.523 413 HD21 LEU 52 HD21 LEU 52 -11.164 17.044 -8.923 414 HD22 LEU 52 HD22 LEU 52 -9.646 16.350 -8.353 415 HD23 LEU 52 HD23 LEU 52 -11.022 16.486 -7.256 416 H GLY 53 H GLY 53 -13.166 12.070 -8.760 417 HA2 GLY 53 HA2 GLY 53 -12.668 9.813 -8.683 418 HA3 GLY 53 HA3 GLY 53 -12.117 9.917 -10.349 419 H TYR 54 H TYR 54 -10.105 9.187 -10.463 420 HA TYR 54 HA TYR 54 -8.280 9.557 -8.230 421 HB2 TYR 54 HB2 TYR 54 -8.437 7.782 -10.577 422 HB3 TYR 54 HB3 TYR 54 -6.808 8.286 -10.140 423 HD1 TYR 54 HD1 TYR 54 -9.719 7.578 -7.926 424 HD2 TYR 54 HD2 TYR 54 -5.839 6.384 -9.203 425 HE1 TYR 54 HE1 TYR 54 -9.670 5.870 -6.157 426 HE2 TYR 54 HE2 TYR 54 -5.781 4.671 -7.439 427 HH TYR 54 HH TYR 54 -8.221 4.504 -4.958 428 H PHE 55 H PHE 55 -6.587 10.921 -8.188 429 HA PHE 55 HA PHE 55 -5.822 12.306 -10.657 430 HB2 PHE 55 HB2 PHE 55 -6.132 14.430 -9.821 431 HB3 PHE 55 HB3 PHE 55 -7.466 13.590 -9.039 432 HD1 PHE 55 HD2 PHE 55 -6.402 12.270 -6.789 433 HD2 PHE 55 HD1 PHE 55 -5.229 16.014 -8.440 434 HE1 PHE 55 HE2 PHE 55 -5.554 12.971 -4.589 435 HE2 PHE 55 HE1 PHE 55 -4.378 16.720 -6.242 436 HZ PHE 55 HZ PHE 55 -4.540 15.198 -4.313 437 H THR 56 H THR 56 -3.821 13.778 -10.099 438 HA THR 56 HA THR 56 -2.047 12.419 -8.201 439 HB THR 56 HB THR 56 -0.285 12.112 -9.749 440 HG1 THR 56 HG1 THR 56 -0.126 13.598 -11.247 441 HG21 THR 56 HG21 THR 56 -2.422 11.313 -11.623 442 HG22 THR 56 HG22 THR 56 -2.580 10.710 -9.973 443 HG23 THR 56 HG23 THR 56 -1.126 10.356 -10.907 444 H LYS 57 H LYS 57 0.231 13.673 -8.417 445 HA LYS 57 HA LYS 57 -0.405 16.402 -7.681 446 HB2 LYS 57 HB2 LYS 57 2.256 14.965 -7.692 447 HB3 LYS 57 HB3 LYS 57 1.932 16.530 -6.958 448 HG2 LYS 57 HG2 LYS 57 0.058 15.002 -5.741 449 HG3 LYS 57 HG3 LYS 57 1.353 13.826 -5.979 450 HD2 LYS 57 HD2 LYS 57 1.819 16.542 -4.767 451 HD3 LYS 57 HD3 LYS 57 1.398 15.125 -3.802 452 HE2 LYS 57 HE2 LYS 57 3.381 13.989 -4.965 453 HE3 LYS 57 HE3 LYS 57 3.860 15.615 -5.448 454 HZ1 LYS 57 HZ1 LYS 57 4.890 15.696 -3.493 455 HZ2 LYS 57 HZ2 LYS 57 4.088 14.332 -2.896 456 HZ3 LYS 57 HZ3 LYS 57 3.361 15.856 -2.788 457 H GLY 58 H GLY 58 -0.671 17.794 -9.316 458 HA2 GLY 58 HA2 GLY 58 0.836 19.217 -10.754 459 HA3 GLY 58 HA3 GLY 58 1.284 17.706 -11.529 460 H MET 59 H MET 59 -1.919 17.505 -10.715 461 HA MET 59 HA MET 59 -2.723 18.334 -13.422 462 HB2 MET 59 HB2 MET 59 -3.968 16.289 -11.577 463 HB3 MET 59 HB3 MET 59 -4.600 16.735 -13.157 464 HG2 MET 59 HG2 MET 59 -1.790 15.779 -12.942 465 HG3 MET 59 HG3 MET 59 -3.107 14.612 -12.849 466 HE1 MET 59 HE1 MET 59 -4.161 13.658 -14.341 467 HE2 MET 59 HE2 MET 59 -4.935 14.478 -15.698 468 HE3 MET 59 HE3 MET 59 -3.505 13.482 -15.969 469 H MET 60 H MET 60 -2.773 19.468 -10.387 470 HA MET 60 HA MET 60 -5.289 20.915 -10.841 471 HB2 MET 60 HB2 MET 60 -4.370 19.934 -8.134 472 HB3 MET 60 HB3 MET 60 -5.868 20.780 -8.498 473 HG2 MET 60 HG2 MET 60 -5.210 18.124 -9.720 474 HG3 MET 60 HG3 MET 60 -5.986 18.266 -8.145 475 HE1 MET 60 HE1 MET 60 -7.818 17.839 -11.990 476 HE2 MET 60 HE2 MET 60 -6.397 17.199 -11.165 477 HE3 MET 60 HE3 MET 60 -8.011 16.733 -10.629 478 H VAL 61 H VAL 61 -5.242 22.611 -8.709 479 HA VAL 61 HA VAL 61 -2.908 24.263 -9.335 480 HB VAL 61 HB VAL 61 -4.136 26.130 -8.431 481 HG11 VAL 61 HG11 VAL 61 -5.489 26.386 -10.219 482 HG12 VAL 61 HG12 VAL 61 -4.763 24.860 -10.725 483 HG13 VAL 61 HG13 VAL 61 -6.337 24.869 -9.929 484 HG21 VAL 61 HG21 VAL 61 -5.201 24.969 -6.557 485 HG22 VAL 61 HG22 VAL 61 -6.374 25.897 -7.493 486 HG23 VAL 61 HG23 VAL 61 -6.282 24.145 -7.683 487 H LYS 62 H LYS 62 -2.139 25.676 -7.459 488 HA LYS 62 HA LYS 62 -0.981 24.059 -5.498 489 HB2 LYS 62 HB2 LYS 62 0.220 25.986 -5.744 490 HB3 LYS 62 HB3 LYS 62 -1.213 26.978 -5.977 491 HG2 LYS 62 HG2 LYS 62 -1.617 27.117 -3.660 492 HG3 LYS 62 HG3 LYS 62 -0.467 25.825 -3.307 493 HD2 LYS 62 HD2 LYS 62 0.785 27.672 -2.762 494 HD3 LYS 62 HD3 LYS 62 1.238 27.458 -4.455 495 HE2 LYS 62 HE2 LYS 62 0.782 29.740 -4.274 496 HE3 LYS 62 HE3 LYS 62 -0.689 29.066 -4.972 497 HZ1 LYS 62 HZ1 LYS 62 -0.762 29.071 -2.119 498 HZ2 LYS 62 HZ2 LYS 62 -1.867 29.720 -3.223 499 HZ3 LYS 62 HZ3 LYS 62 -0.527 30.628 -2.736 500 HA PRO 63 HA PRO 63 -4.200 25.814 -2.355 501 HB2 PRO 63 HB2 PRO 63 -6.297 27.214 -3.365 502 HB3 PRO 63 HB3 PRO 63 -4.772 27.974 -2.895 503 HG2 PRO 63 HG2 PRO 63 -5.732 27.179 -5.617 504 HG3 PRO 63 HG3 PRO 63 -4.901 28.661 -5.113 505 HD2 PRO 63 HD2 PRO 63 -3.616 26.614 -6.333 506 HD3 PRO 63 HD3 PRO 63 -2.828 27.655 -5.130 507 H PHE 64 H PHE 64 -4.230 23.411 -3.775 508 HA PHE 64 HA PHE 64 -6.840 22.458 -3.163 509 HB2 PHE 64 HB2 PHE 64 -7.393 23.431 -5.323 510 HB3 PHE 64 HB3 PHE 64 -6.049 22.581 -6.079 511 HD1 PHE 64 HD2 PHE 64 -6.138 20.133 -6.360 512 HD2 PHE 64 HD1 PHE 64 -9.464 22.354 -4.904 513 HE1 PHE 64 HE2 PHE 64 -7.618 18.231 -6.851 514 HE2 PHE 64 HE1 PHE 64 -10.950 20.454 -5.392 515 HZ PHE 64 HZ PHE 64 -10.028 18.389 -6.368 516 H GLU 65 H GLU 65 -4.204 21.614 -5.419 517 HA GLU 65 HA GLU 65 -4.229 18.881 -5.049 518 HB2 GLU 65 HB2 GLU 65 -2.893 19.848 -6.791 519 HB3 GLU 65 HB3 GLU 65 -1.916 20.732 -5.626 520 HG2 GLU 65 HG2 GLU 65 -1.046 18.605 -4.765 521 HG3 GLU 65 HG3 GLU 65 -1.992 17.744 -5.978 522 H ASP 66 H ASP 66 -2.318 21.287 -3.258 523 HA ASP 66 HA ASP 66 -0.980 19.544 -1.553 524 HB2 ASP 66 HB2 ASP 66 -0.494 21.975 -1.794 525 HB3 ASP 66 HB3 ASP 66 -1.954 22.325 -0.873 526 H ALA 67 H ALA 67 -4.229 20.857 -1.363 527 HA ALA 67 HA ALA 67 -4.666 19.366 1.137 528 HB1 ALA 67 HB1 ALA 67 -6.384 21.558 -0.016 529 HB2 ALA 67 HB2 ALA 67 -6.521 20.820 1.581 530 HB3 ALA 67 HB3 ALA 67 -5.117 21.810 1.186 531 H ALA 68 H ALA 68 -4.594 18.055 -1.404 532 HA ALA 68 HA ALA 68 -7.420 17.264 -1.691 533 HB1 ALA 68 HB1 ALA 68 -6.724 16.465 -3.985 534 HB2 ALA 68 HB2 ALA 68 -6.751 18.213 -3.749 535 HB3 ALA 68 HB3 ALA 68 -5.215 17.345 -3.735 536 H PHE 69 H PHE 69 -4.240 16.266 -0.910 537 HA PHE 69 HA PHE 69 -5.148 13.466 -0.791 538 HB2 PHE 69 HB2 PHE 69 -2.630 12.937 -1.023 539 HB3 PHE 69 HB3 PHE 69 -3.514 13.413 -2.469 540 HD1 PHE 69 HD2 PHE 69 -1.697 15.108 0.320 541 HD2 PHE 69 HD1 PHE 69 -2.410 14.843 -3.867 542 HE1 PHE 69 HE2 PHE 69 -0.079 16.920 -0.065 543 HE2 PHE 69 HE1 PHE 69 -0.790 16.654 -4.261 544 HZ PHE 69 HZ PHE 69 0.377 17.696 -2.359 545 H LYS 70 H LYS 70 -4.435 16.089 1.001 546 HA LYS 70 HA LYS 70 -2.984 14.700 3.116 547 HB2 LYS 70 HB2 LYS 70 -2.606 16.793 4.090 548 HB3 LYS 70 HB3 LYS 70 -2.540 17.122 2.363 549 HG2 LYS 70 HG2 LYS 70 -4.885 17.896 2.460 550 HG3 LYS 70 HG3 LYS 70 -4.860 17.656 4.209 551 HD2 LYS 70 HD2 LYS 70 -2.850 19.215 4.238 552 HD3 LYS 70 HD3 LYS 70 -3.267 19.615 2.571 553 HE2 LYS 70 HE2 LYS 70 -5.566 20.206 3.398 554 HE3 LYS 70 HE3 LYS 70 -4.947 20.023 5.039 555 HZ1 LYS 70 HZ1 LYS 70 -4.666 22.214 3.247 556 HZ2 LYS 70 HZ2 LYS 70 -3.153 21.669 3.769 557 HZ3 LYS 70 HZ3 LYS 70 -4.321 22.133 4.901 558 H LEU 71 H LEU 71 -5.939 14.356 2.235 559 HA LEU 71 HA LEU 71 -7.223 14.868 4.821 560 HB2 LEU 71 HB2 LEU 71 -8.650 13.808 2.419 561 HB3 LEU 71 HB3 LEU 71 -9.278 14.773 3.754 562 HG LEU 71 HG LEU 71 -7.405 15.854 1.655 563 HD11 LEU 71 HD11 LEU 71 -9.404 16.906 0.675 564 HD12 LEU 71 HD12 LEU 71 -10.414 15.968 1.775 565 HD13 LEU 71 HD13 LEU 71 -9.437 15.146 0.558 566 HD21 LEU 71 HD21 LEU 71 -7.879 17.967 2.535 567 HD22 LEU 71 HD22 LEU 71 -7.642 16.950 3.956 568 HD23 LEU 71 HD23 LEU 71 -9.274 17.378 3.440 569 H GLN 72 H GLN 72 -8.925 13.098 5.373 570 HA GLN 72 HA GLN 72 -7.467 10.569 5.467 571 HB2 GLN 72 HB2 GLN 72 -8.854 11.981 7.390 572 HB3 GLN 72 HB3 GLN 72 -9.981 10.705 6.952 573 HG2 GLN 72 HG2 GLN 72 -8.464 9.013 7.569 574 HG3 GLN 72 HG3 GLN 72 -7.120 10.150 7.665 575 HE21 GLN 72 HE21 GLN 72 -8.566 8.258 9.590 576 HE22 GLN 72 HE22 GLN 72 -8.810 9.228 10.998 577 H VAL 73 H VAL 73 -8.887 8.554 5.441 578 HA VAL 73 HA VAL 73 -10.095 8.321 2.910 579 HB VAL 73 HB VAL 73 -10.441 6.451 5.256 580 HG11 VAL 73 HG11 VAL 73 -11.486 5.046 3.875 581 HG12 VAL 73 HG12 VAL 73 -11.658 6.419 2.779 582 HG13 VAL 73 HG13 VAL 73 -10.305 5.303 2.591 583 HG21 VAL 73 HG21 VAL 73 -8.105 7.112 3.690 584 HG22 VAL 73 HG22 VAL 73 -8.247 6.092 5.123 585 HG23 VAL 73 HG23 VAL 73 -8.530 5.408 3.522 586 H GLY 74 H GLY 74 -11.777 9.771 2.648 587 HA2 GLY 74 HA2 GLY 74 -14.129 9.968 2.518 588 HA3 GLY 74 HA3 GLY 74 -14.267 8.991 3.972 589 H GLU 75 H GLU 75 -12.019 11.635 3.858 590 HA GLU 75 HA GLU 75 -13.744 13.105 5.737 591 HB2 GLU 75 HB2 GLU 75 -11.143 12.231 6.067 592 HB3 GLU 75 HB3 GLU 75 -10.940 13.923 5.633 593 HG2 GLU 75 HG2 GLU 75 -12.962 13.275 7.698 594 HG3 GLU 75 HG3 GLU 75 -11.262 13.122 8.136 595 H VAL 76 H VAL 76 -14.207 15.232 5.405 596 HA VAL 76 HA VAL 76 -13.686 16.265 2.740 597 HB VAL 76 HB VAL 76 -15.368 17.421 4.967 598 HG11 VAL 76 HG11 VAL 76 -14.531 18.454 2.384 599 HG12 VAL 76 HG12 VAL 76 -16.286 18.410 2.562 600 HG13 VAL 76 HG13 VAL 76 -15.301 19.282 3.737 601 HG21 VAL 76 HG21 VAL 76 -16.070 15.188 3.989 602 HG22 VAL 76 HG22 VAL 76 -17.261 16.487 3.913 603 HG23 VAL 76 HG23 VAL 76 -16.340 16.050 2.474 604 H SER 77 H SER 77 -12.443 18.000 2.249 605 HA SER 77 HA SER 77 -10.537 18.870 4.221 606 HB2 SER 77 HB2 SER 77 -10.140 18.459 1.690 607 HB3 SER 77 HB3 SER 77 -10.815 20.075 1.478 608 HG SER 77 HG SER 77 -8.970 20.848 2.085 609 H GLU 78 H GLU 78 -10.014 21.454 3.740 610 HA GLU 78 HA GLU 78 -12.380 22.781 4.835 611 HB2 GLU 78 HB2 GLU 78 -9.836 24.270 4.654 612 HB3 GLU 78 HB3 GLU 78 -10.980 24.148 5.984 613 HG2 GLU 78 HG2 GLU 78 -8.930 22.087 5.206 614 HG3 GLU 78 HG3 GLU 78 -8.849 23.175 6.591 615 HA PRO 79 HA PRO 79 -13.207 25.261 1.314 616 HB2 PRO 79 HB2 PRO 79 -13.770 27.682 2.405 617 HB3 PRO 79 HB3 PRO 79 -14.855 26.293 2.537 618 HG2 PRO 79 HG2 PRO 79 -12.891 27.357 4.529 619 HG3 PRO 79 HG3 PRO 79 -14.547 26.783 4.790 620 HD2 PRO 79 HD2 PRO 79 -12.375 25.258 5.326 621 HD3 PRO 79 HD3 PRO 79 -13.915 24.567 4.776 622 H ILE 80 H ILE 80 -11.007 25.161 0.490 623 HA ILE 80 HA ILE 80 -9.123 27.213 1.176 624 HB ILE 80 HB ILE 80 -9.053 25.426 -1.253 625 HG12 ILE 80 HG12 ILE 80 -9.332 24.102 0.824 626 HG13 ILE 80 HG13 ILE 80 -7.762 23.846 0.071 627 HG21 ILE 80 HG21 ILE 80 -6.518 25.740 -0.696 628 HG22 ILE 80 HG22 ILE 80 -7.397 26.986 -1.581 629 HG23 ILE 80 HG23 ILE 80 -7.089 27.180 0.145 630 HD11 ILE 80 HD11 ILE 80 -7.832 24.107 2.596 631 HD12 ILE 80 HD12 ILE 80 -6.652 25.078 1.716 632 HD13 ILE 80 HD13 ILE 80 -8.145 25.816 2.295 633 H LYS 81 H LYS 81 -9.492 29.258 0.624 634 HA LYS 81 HA LYS 81 -11.111 30.007 -1.610 635 HB2 LYS 81 HB2 LYS 81 -10.917 31.331 0.503 636 HB3 LYS 81 HB3 LYS 81 -9.273 31.749 0.039 637 HG2 LYS 81 HG2 LYS 81 -10.150 33.537 -0.941 638 HG3 LYS 81 HG3 LYS 81 -10.752 32.435 -2.182 639 HD2 LYS 81 HD2 LYS 81 -12.838 32.166 -0.916 640 HD3 LYS 81 HD3 LYS 81 -12.233 33.281 0.310 641 HE2 LYS 81 HE2 LYS 81 -13.790 34.317 -1.339 642 HE3 LYS 81 HE3 LYS 81 -12.209 35.092 -1.249 643 HZ1 LYS 81 HZ1 LYS 81 -12.435 32.980 -3.217 644 HZ2 LYS 81 HZ2 LYS 81 -11.711 34.503 -3.341 645 HZ3 LYS 81 HZ3 LYS 81 -13.384 34.344 -3.528 646 H SER 82 H SER 82 -10.479 30.014 -3.654 647 HA SER 82 HA SER 82 -7.735 30.841 -4.292 648 HB2 SER 82 HB2 SER 82 -7.285 29.007 -5.641 649 HB3 SER 82 HB3 SER 82 -8.205 28.255 -4.337 650 HG SER 82 HG SER 82 -8.753 28.017 -6.807 651 H GLU 83 H GLU 83 -7.757 30.717 -6.979 652 HA GLU 83 HA GLU 83 -9.164 32.999 -7.749 653 HB2 GLU 83 HB2 GLU 83 -8.526 32.416 -10.047 654 HB3 GLU 83 HB3 GLU 83 -7.179 32.222 -8.934 655 HG2 GLU 83 HG2 GLU 83 -7.890 29.753 -8.838 656 HG3 GLU 83 HG3 GLU 83 -8.808 30.118 -10.298 657 H PHE 84 H PHE 84 -10.077 29.637 -7.787 658 HA PHE 84 HA PHE 84 -12.463 30.171 -9.371 659 HB2 PHE 84 HB2 PHE 84 -11.656 27.561 -8.081 660 HB3 PHE 84 HB3 PHE 84 -12.805 27.800 -9.394 661 HD1 PHE 84 HD1 PHE 84 -11.596 29.295 -11.390 662 HD2 PHE 84 HD2 PHE 84 -9.726 26.536 -8.742 663 HE1 PHE 84 HE1 PHE 84 -9.794 28.947 -13.030 664 HE2 PHE 84 HE2 PHE 84 -7.921 26.185 -10.376 665 HZ PHE 84 HZ PHE 84 -7.954 27.389 -12.524 666 H GLY 85 H GLY 85 -11.494 29.924 -6.087 667 HA2 GLY 85 HA2 GLY 85 -13.180 30.962 -4.554 668 HA3 GLY 85 HA3 GLY 85 -14.329 29.832 -5.255 669 H TYR 86 H TYR 86 -14.755 29.059 -3.122 670 HA TYR 86 HA TYR 86 -12.671 27.851 -1.568 671 HB2 TYR 86 HB2 TYR 86 -15.682 27.725 -1.331 672 HB3 TYR 86 HB3 TYR 86 -14.568 27.020 -0.164 673 HD1 TYR 86 HD2 TYR 86 -12.675 28.792 0.624 674 HD2 TYR 86 HD1 TYR 86 -16.567 29.776 -0.784 675 HE1 TYR 86 HE2 TYR 86 -12.554 30.942 1.812 676 HE2 TYR 86 HE1 TYR 86 -16.457 31.929 0.400 677 HH TYR 86 HH TYR 86 -13.525 32.945 2.094 678 H HIS 87 H HIS 87 -11.803 25.924 -1.897 679 HA HIS 87 HA HIS 87 -13.211 23.996 -3.595 680 HB2 HIS 87 HB2 HIS 87 -10.320 24.249 -2.769 681 HB3 HIS 87 HB3 HIS 87 -10.949 22.843 -3.625 682 HD1 HIS 87 HD1 HIS 87 -11.260 23.045 -6.121 683 HD2 HIS 87 HD2 HIS 87 -10.347 26.670 -4.307 684 HE1 HIS 87 HE1 HIS 87 -10.815 24.647 -8.007 685 H ILE 88 H ILE 88 -14.109 22.224 -2.772 686 HA ILE 88 HA ILE 88 -13.385 21.449 -0.022 687 HB ILE 88 HB ILE 88 -16.024 21.084 -1.445 688 HG12 ILE 88 HG12 ILE 88 -15.665 23.386 -0.734 689 HG13 ILE 88 HG13 ILE 88 -16.875 22.626 0.293 690 HG21 ILE 88 HG21 ILE 88 -14.874 19.838 0.940 691 HG22 ILE 88 HG22 ILE 88 -16.471 20.540 1.190 692 HG23 ILE 88 HG23 ILE 88 -16.228 19.328 -0.067 693 HD11 ILE 88 HD11 ILE 88 -14.799 22.134 1.818 694 HD12 ILE 88 HD12 ILE 88 -14.117 23.505 0.943 695 HD13 ILE 88 HD13 ILE 88 -15.614 23.697 1.855 696 H ILE 89 H ILE 89 -11.715 20.062 -0.760 697 HA ILE 89 HA ILE 89 -12.334 17.889 -2.553 698 HB ILE 89 HB ILE 89 -9.874 18.127 -0.831 699 HG12 ILE 89 HG12 ILE 89 -9.173 19.055 -3.336 700 HG13 ILE 89 HG13 ILE 89 -10.753 19.789 -3.076 701 HG21 ILE 89 HG21 ILE 89 -9.168 16.329 -1.927 702 HG22 ILE 89 HG22 ILE 89 -10.766 16.200 -2.658 703 HG23 ILE 89 HG23 ILE 89 -9.490 17.096 -3.482 704 HD11 ILE 89 HD11 ILE 89 -9.552 21.393 -2.078 705 HD12 ILE 89 HD12 ILE 89 -9.575 20.289 -0.701 706 HD13 ILE 89 HD13 ILE 89 -8.179 20.327 -1.779 707 H LYS 90 H LYS 90 -12.974 15.893 -2.034 708 HA LYS 90 HA LYS 90 -12.780 15.029 0.769 709 HB2 LYS 90 HB2 LYS 90 -15.070 15.804 0.370 710 HB3 LYS 90 HB3 LYS 90 -15.203 14.730 -1.017 711 HG2 LYS 90 HG2 LYS 90 -14.729 12.838 0.638 712 HG3 LYS 90 HG3 LYS 90 -15.084 14.027 1.892 713 HD2 LYS 90 HD2 LYS 90 -17.302 14.280 1.184 714 HD3 LYS 90 HD3 LYS 90 -16.976 13.545 -0.387 715 HE2 LYS 90 HE2 LYS 90 -16.797 11.382 0.564 716 HE3 LYS 90 HE3 LYS 90 -16.743 12.029 2.202 717 HZ1 LYS 90 HZ1 LYS 90 -19.061 11.884 0.370 718 HZ2 LYS 90 HZ2 LYS 90 -19.056 12.898 1.724 719 HZ3 LYS 90 HZ3 LYS 90 -18.906 11.224 1.920 720 H ARG 91 H ARG 91 -11.690 13.191 0.907 721 HA ARG 91 HA ARG 91 -11.000 11.641 -1.368 722 HB2 ARG 91 HB2 ARG 91 -9.521 11.816 0.571 723 HB3 ARG 91 HB3 ARG 91 -10.721 11.013 1.576 724 HG2 ARG 91 HG2 ARG 91 -10.378 8.950 0.553 725 HG3 ARG 91 HG3 ARG 91 -9.593 9.674 -0.852 726 HD2 ARG 91 HD2 ARG 91 -7.603 10.022 0.280 727 HD3 ARG 91 HD3 ARG 91 -8.379 9.979 1.861 728 HE ARG 91 HE ARG 91 -8.737 7.466 0.928 729 HH11 ARG 91 HH11 ARG 91 -5.947 9.522 1.259 730 HH12 ARG 91 HH12 ARG 91 -4.844 8.207 1.503 731 HH21 ARG 91 HH21 ARG 91 -7.295 5.726 1.247 732 HH22 ARG 91 HH22 ARG 91 -5.612 6.048 1.495 733 H PHE 92 H PHE 92 -11.666 9.600 -1.997 734 HA PHE 92 HA PHE 92 -14.153 8.631 -0.747 735 HB2 PHE 92 HB2 PHE 92 -13.424 9.031 -3.610 736 HB3 PHE 92 HB3 PHE 92 -14.446 7.655 -3.206 737 HD1 PHE 92 HD1 PHE 92 -14.259 11.206 -2.065 738 HD2 PHE 92 HD2 PHE 92 -16.651 8.064 -3.654 739 HE1 PHE 92 HE1 PHE 92 -16.224 12.686 -2.024 740 HE2 PHE 92 HE2 PHE 92 -18.620 9.539 -3.616 741 HZ PHE 92 HZ PHE 92 -18.408 11.853 -2.801 742 H GLY 93 H GLY 93 -11.078 7.817 -2.208 743 HA2 GLY 93 HA2 GLY 93 -11.281 5.064 -2.437 744 HA3 GLY 93 HA3 GLY 93 -9.793 5.919 -2.057 Start of MODEL 11 1 H1 GLY 1 H GLY 1 0.200 -1.698 -4.188 2 HA2 GLY 1 HA2 GLY 1 1.772 -1.102 -2.627 3 HA3 GLY 1 HA3 GLY 1 2.950 -1.242 -3.925 4 HA PRO 2 HA PRO 2 3.605 3.086 -3.962 5 HB2 PRO 2 HB2 PRO 2 3.772 3.676 -6.607 6 HB3 PRO 2 HB3 PRO 2 5.027 2.783 -5.741 7 HG2 PRO 2 HG2 PRO 2 2.830 1.746 -7.490 8 HG3 PRO 2 HG3 PRO 2 4.533 1.257 -7.425 9 HD2 PRO 2 HD2 PRO 2 2.564 -0.165 -6.230 10 HD3 PRO 2 HD3 PRO 2 4.211 -0.077 -5.574 11 H SER 3 H SER 3 2.226 4.668 -3.493 12 HA SER 3 HA SER 3 -0.411 4.716 -4.708 13 HB2 SER 3 HB2 SER 3 0.526 6.762 -2.728 14 HB3 SER 3 HB3 SER 3 -1.078 6.057 -2.931 15 HG SER 3 HG SER 3 -0.455 4.876 -1.296 16 H ASN 4 H ASN 4 -0.009 5.399 -6.815 17 HA ASN 4 HA ASN 4 1.377 7.904 -7.272 18 HB2 ASN 4 HB2 ASN 4 -0.100 6.181 -9.271 19 HB3 ASN 4 HB3 ASN 4 1.077 7.443 -9.624 20 HD21 ASN 4 HD21 ASN 4 3.087 6.934 -7.912 21 HD22 ASN 4 HD22 ASN 4 3.776 5.381 -8.227 22 H LYS 5 H LYS 5 -1.913 6.641 -7.403 23 HA LYS 5 HA LYS 5 -2.900 9.405 -7.442 24 HB2 LYS 5 HB2 LYS 5 -4.858 8.224 -8.849 25 HB3 LYS 5 HB3 LYS 5 -3.476 9.006 -9.604 26 HG2 LYS 5 HG2 LYS 5 -2.351 6.846 -9.791 27 HG3 LYS 5 HG3 LYS 5 -3.737 6.060 -9.032 28 HD2 LYS 5 HD2 LYS 5 -4.059 5.733 -11.331 29 HD3 LYS 5 HD3 LYS 5 -5.124 7.081 -10.923 30 HE2 LYS 5 HE2 LYS 5 -2.364 7.740 -11.779 31 HE3 LYS 5 HE3 LYS 5 -3.464 7.128 -13.013 32 HZ1 LYS 5 HZ1 LYS 5 -3.287 9.699 -12.278 33 HZ2 LYS 5 HZ2 LYS 5 -4.576 9.183 -11.313 34 HZ3 LYS 5 HZ3 LYS 5 -4.655 9.008 -12.993 35 H ILE 6 H ILE 6 -5.169 9.579 -6.711 36 HA ILE 6 HA ILE 6 -6.207 7.342 -5.177 37 HB ILE 6 HB ILE 6 -6.402 8.649 -3.094 38 HG12 ILE 6 HG12 ILE 6 -4.342 10.574 -4.077 39 HG13 ILE 6 HG13 ILE 6 -6.022 10.856 -4.519 40 HG21 ILE 6 HG21 ILE 6 -4.124 8.370 -2.361 41 HG22 ILE 6 HG22 ILE 6 -4.543 7.062 -3.464 42 HG23 ILE 6 HG23 ILE 6 -3.547 8.403 -4.026 43 HD11 ILE 6 HD11 ILE 6 -4.887 10.671 -1.742 44 HD12 ILE 6 HD12 ILE 6 -5.514 12.108 -2.551 45 HD13 ILE 6 HD13 ILE 6 -6.606 10.794 -2.113 46 H LYS 7 H LYS 7 -8.390 7.582 -4.572 47 HA LYS 7 HA LYS 7 -9.940 9.163 -6.352 48 HB2 LYS 7 HB2 LYS 7 -10.379 6.961 -4.662 49 HB3 LYS 7 HB3 LYS 7 -11.458 8.222 -4.083 50 HG2 LYS 7 HG2 LYS 7 -12.098 8.470 -6.584 51 HG3 LYS 7 HG3 LYS 7 -11.396 6.858 -6.738 52 HD2 LYS 7 HD2 LYS 7 -13.224 5.927 -5.874 53 HD3 LYS 7 HD3 LYS 7 -13.127 6.964 -4.448 54 HE2 LYS 7 HE2 LYS 7 -15.108 7.724 -5.224 55 HE3 LYS 7 HE3 LYS 7 -14.074 8.732 -6.234 56 HZ1 LYS 7 HZ1 LYS 7 -14.282 6.463 -7.677 57 HZ2 LYS 7 HZ2 LYS 7 -15.224 7.848 -7.912 58 HZ3 LYS 7 HZ3 LYS 7 -15.820 6.569 -6.980 59 H CYS 8 H CYS 8 -11.219 10.957 -5.966 60 HA CYS 8 HA CYS 8 -11.605 12.152 -3.445 61 HB2 CYS 8 HB2 CYS 8 -9.057 12.666 -4.614 62 HB3 CYS 8 HB3 CYS 8 -9.995 14.153 -4.684 63 HG CYS 8 HG CYS 8 -10.519 14.199 -1.926 64 H SER 9 H SER 9 -12.455 14.442 -3.679 65 HA SER 9 HA SER 9 -13.656 14.882 -6.324 66 HB2 SER 9 HB2 SER 9 -15.146 15.012 -3.691 67 HB3 SER 9 HB3 SER 9 -15.815 15.413 -5.273 68 HG SER 9 HG SER 9 -16.389 13.352 -5.064 69 H HIS 10 H HIS 10 -15.138 17.106 -5.799 70 HA HIS 10 HA HIS 10 -13.788 19.062 -4.250 71 HB2 HIS 10 HB2 HIS 10 -12.949 20.450 -6.136 72 HB3 HIS 10 HB3 HIS 10 -12.089 18.922 -5.968 73 HD1 HIS 10 HD1 HIS 10 -13.455 20.997 -8.480 74 HD2 HIS 10 HD2 HIS 10 -13.389 16.891 -7.844 75 HE1 HIS 10 HE1 HIS 10 -13.912 19.962 -10.725 76 H ILE 11 H ILE 11 -14.870 21.060 -4.224 77 HA ILE 11 HA ILE 11 -17.184 21.395 -5.964 78 HB ILE 11 HB ILE 11 -17.400 21.208 -2.961 79 HG12 ILE 11 HG12 ILE 11 -18.901 19.754 -5.147 80 HG13 ILE 11 HG13 ILE 11 -17.519 19.090 -4.283 81 HG21 ILE 11 HG21 ILE 11 -18.661 23.124 -3.572 82 HG22 ILE 11 HG22 ILE 11 -19.342 22.308 -4.978 83 HG23 ILE 11 HG23 ILE 11 -19.811 21.805 -3.354 84 HD11 ILE 11 HD11 ILE 11 -20.230 19.762 -3.185 85 HD12 ILE 11 HD12 ILE 11 -19.455 18.181 -3.292 86 HD13 ILE 11 HD13 ILE 11 -18.838 19.392 -2.169 87 H LEU 12 H LEU 12 -17.133 23.412 -6.679 88 HA LEU 12 HA LEU 12 -15.771 25.460 -5.089 89 HB2 LEU 12 HB2 LEU 12 -16.348 25.079 -7.976 90 HB3 LEU 12 HB3 LEU 12 -16.231 26.731 -7.374 91 HG LEU 12 HG LEU 12 -14.117 26.044 -8.311 92 HD11 LEU 12 HD11 LEU 12 -13.615 25.914 -5.375 93 HD12 LEU 12 HD12 LEU 12 -14.351 27.361 -6.066 94 HD13 LEU 12 HD13 LEU 12 -12.767 26.824 -6.626 95 HD21 LEU 12 HD21 LEU 12 -13.538 24.011 -6.272 96 HD22 LEU 12 HD22 LEU 12 -13.125 24.054 -7.986 97 HD23 LEU 12 HD23 LEU 12 -14.735 23.539 -7.479 98 H VAL 13 H VAL 13 -16.780 27.235 -4.307 99 HA VAL 13 HA VAL 13 -19.585 27.692 -5.047 100 HB VAL 13 HB VAL 13 -20.199 28.089 -2.715 101 HG11 VAL 13 HG11 VAL 13 -18.911 25.376 -2.912 102 HG12 VAL 13 HG12 VAL 13 -20.373 25.829 -2.034 103 HG13 VAL 13 HG13 VAL 13 -20.372 25.811 -3.797 104 HG21 VAL 13 HG21 VAL 13 -17.878 28.720 -1.993 105 HG22 VAL 13 HG22 VAL 13 -18.739 27.651 -0.885 106 HG23 VAL 13 HG23 VAL 13 -17.496 26.998 -1.953 107 H SER 14 H SER 14 -20.247 29.812 -3.607 108 HA SER 14 HA SER 14 -18.199 31.820 -4.286 109 HB2 SER 14 HB2 SER 14 -21.181 31.818 -4.546 110 HB3 SER 14 HB3 SER 14 -20.351 33.350 -4.271 111 HG SER 14 HG SER 14 -20.647 32.746 -6.523 112 H LYS 15 H LYS 15 -20.153 30.486 -1.807 113 HA LYS 15 HA LYS 15 -19.130 32.504 0.069 114 HB2 LYS 15 HB2 LYS 15 -21.257 32.400 1.316 115 HB3 LYS 15 HB3 LYS 15 -21.468 33.034 -0.310 116 HG2 LYS 15 HG2 LYS 15 -21.994 30.499 -0.843 117 HG3 LYS 15 HG3 LYS 15 -22.411 30.484 0.873 118 HD2 LYS 15 HD2 LYS 15 -23.502 32.471 -1.118 119 HD3 LYS 15 HD3 LYS 15 -24.327 30.981 -0.653 120 HE2 LYS 15 HE2 LYS 15 -24.006 31.871 1.767 121 HE3 LYS 15 HE3 LYS 15 -23.766 33.427 0.976 122 HZ1 LYS 15 HZ1 LYS 15 -25.974 33.582 1.063 123 HZ2 LYS 15 HZ2 LYS 15 -26.188 31.936 1.381 124 HZ3 LYS 15 HZ3 LYS 15 -26.002 32.472 -0.213 125 H GLN 16 H GLN 16 -18.702 31.760 2.174 126 HA GLN 16 HA GLN 16 -17.726 29.130 2.351 127 HB2 GLN 16 HB2 GLN 16 -18.155 31.347 4.312 128 HB3 GLN 16 HB3 GLN 16 -17.743 29.745 4.908 129 HG2 GLN 16 HG2 GLN 16 -15.820 29.924 3.138 130 HG3 GLN 16 HG3 GLN 16 -16.115 31.654 3.310 131 HE21 GLN 16 HE21 GLN 16 -13.975 31.798 4.159 132 HE22 GLN 16 HE22 GLN 16 -13.661 31.389 5.808 133 H SER 17 H SER 17 -20.820 30.519 3.084 134 HA SER 17 HA SER 17 -21.806 28.559 4.842 135 HB2 SER 17 HB2 SER 17 -23.480 30.090 2.850 136 HB3 SER 17 HB3 SER 17 -23.969 29.472 4.428 137 HG SER 17 HG SER 17 -23.527 31.731 4.450 138 H GLU 18 H GLU 18 -21.150 28.462 1.491 139 HA GLU 18 HA GLU 18 -22.904 26.158 1.064 140 HB2 GLU 18 HB2 GLU 18 -21.237 27.786 -0.859 141 HB3 GLU 18 HB3 GLU 18 -22.192 26.385 -1.322 142 HG2 GLU 18 HG2 GLU 18 -23.489 28.671 0.089 143 HG3 GLU 18 HG3 GLU 18 -23.152 28.771 -1.638 144 H ALA 19 H ALA 19 -19.488 27.084 0.817 145 HA ALA 19 HA ALA 19 -18.551 24.506 0.097 146 HB1 ALA 19 HB1 ALA 19 -17.423 27.094 0.581 147 HB2 ALA 19 HB2 ALA 19 -16.471 25.862 1.409 148 HB3 ALA 19 HB3 ALA 19 -16.755 25.738 -0.327 149 H LEU 20 H LEU 20 -18.558 26.250 3.204 150 HA LEU 20 HA LEU 20 -17.490 24.075 4.687 151 HB2 LEU 20 HB2 LEU 20 -17.584 26.605 5.246 152 HB3 LEU 20 HB3 LEU 20 -19.178 26.229 5.898 153 HG LEU 20 HG LEU 20 -17.869 24.422 7.265 154 HD11 LEU 20 HD11 LEU 20 -15.602 25.308 7.878 155 HD12 LEU 20 HD12 LEU 20 -15.712 26.363 6.468 156 HD13 LEU 20 HD13 LEU 20 -15.726 24.612 6.261 157 HD21 LEU 20 HD21 LEU 20 -18.923 25.979 8.561 158 HD22 LEU 20 HD22 LEU 20 -18.179 27.344 7.727 159 HD23 LEU 20 HD23 LEU 20 -17.243 26.404 8.890 160 H ALA 21 H ALA 21 -20.524 24.601 3.344 161 HA ALA 21 HA ALA 21 -22.082 23.254 5.359 162 HB1 ALA 21 HB1 ALA 21 -23.462 24.671 4.239 163 HB2 ALA 21 HB2 ALA 21 -22.613 24.467 2.706 164 HB3 ALA 21 HB3 ALA 21 -23.726 23.220 3.270 165 H ILE 22 H ILE 22 -19.879 22.208 3.117 166 HA ILE 22 HA ILE 22 -21.206 19.820 2.231 167 HB ILE 22 HB ILE 22 -18.270 20.525 2.153 168 HG12 ILE 22 HG12 ILE 22 -19.602 22.126 0.891 169 HG13 ILE 22 HG13 ILE 22 -18.716 21.083 -0.217 170 HG21 ILE 22 HG21 ILE 22 -19.852 18.332 0.831 171 HG22 ILE 22 HG22 ILE 22 -18.230 18.805 0.326 172 HG23 ILE 22 HG23 ILE 22 -18.498 18.166 1.948 173 HD11 ILE 22 HD11 ILE 22 -21.622 21.303 0.272 174 HD12 ILE 22 HD12 ILE 22 -20.735 21.046 -1.230 175 HD13 ILE 22 HD13 ILE 22 -20.980 19.705 -0.111 176 H MET 23 H MET 23 -19.430 20.756 5.015 177 HA MET 23 HA MET 23 -18.866 17.990 5.769 178 HB2 MET 23 HB2 MET 23 -17.698 19.028 7.715 179 HB3 MET 23 HB3 MET 23 -17.054 19.521 6.154 180 HG2 MET 23 HG2 MET 23 -17.582 21.666 6.474 181 HG3 MET 23 HG3 MET 23 -19.147 21.278 7.183 182 HE1 MET 23 HE1 MET 23 -15.561 21.634 7.393 183 HE2 MET 23 HE2 MET 23 -15.535 22.841 8.678 184 HE3 MET 23 HE3 MET 23 -15.083 21.172 9.027 185 H GLU 24 H GLU 24 -21.130 20.507 6.346 186 HA GLU 24 HA GLU 24 -22.088 19.334 8.833 187 HB2 GLU 24 HB2 GLU 24 -23.453 21.240 9.072 188 HB3 GLU 24 HB3 GLU 24 -21.944 21.841 8.399 189 HG2 GLU 24 HG2 GLU 24 -23.058 21.696 6.132 190 HG3 GLU 24 HG3 GLU 24 -24.570 21.443 7.002 191 H LYS 25 H LYS 25 -22.953 19.545 5.455 192 HA LYS 25 HA LYS 25 -25.603 18.505 5.781 193 HB2 LYS 25 HB2 LYS 25 -23.818 19.115 3.463 194 HB3 LYS 25 HB3 LYS 25 -25.215 18.079 3.204 195 HG2 LYS 25 HG2 LYS 25 -25.572 20.690 4.596 196 HG3 LYS 25 HG3 LYS 25 -25.386 20.655 2.841 197 HD2 LYS 25 HD2 LYS 25 -27.246 18.968 2.778 198 HD3 LYS 25 HD3 LYS 25 -27.500 19.282 4.496 199 HE2 LYS 25 HE2 LYS 25 -27.532 21.457 2.417 200 HE3 LYS 25 HE3 LYS 25 -28.978 20.562 2.882 201 HZ1 LYS 25 HZ1 LYS 25 -27.958 21.316 5.262 202 HZ2 LYS 25 HZ2 LYS 25 -29.185 22.133 4.433 203 HZ3 LYS 25 HZ3 LYS 25 -27.580 22.647 4.290 204 H LEU 26 H LEU 26 -22.448 17.158 4.969 205 HA LEU 26 HA LEU 26 -23.603 14.483 4.739 206 HB2 LEU 26 HB2 LEU 26 -20.695 15.141 4.449 207 HB3 LEU 26 HB3 LEU 26 -21.602 13.801 3.750 208 HG LEU 26 HG LEU 26 -21.765 16.695 2.907 209 HD11 LEU 26 HD11 LEU 26 -19.680 15.487 2.286 210 HD12 LEU 26 HD12 LEU 26 -20.649 16.003 0.906 211 HD13 LEU 26 HD13 LEU 26 -20.672 14.316 1.416 212 HD21 LEU 26 HD21 LEU 26 -23.531 14.434 2.479 213 HD22 LEU 26 HD22 LEU 26 -22.926 15.104 0.965 214 HD23 LEU 26 HD23 LEU 26 -23.772 16.142 2.113 215 H LYS 27 H LYS 27 -23.392 15.978 7.296 216 HA LYS 27 HA LYS 27 -21.345 15.105 8.940 217 HB2 LYS 27 HB2 LYS 27 -23.266 16.735 9.445 218 HB3 LYS 27 HB3 LYS 27 -24.197 15.309 9.884 219 HG2 LYS 27 HG2 LYS 27 -22.830 14.830 11.710 220 HG3 LYS 27 HG3 LYS 27 -21.523 15.858 11.118 221 HD2 LYS 27 HD2 LYS 27 -22.667 16.912 12.991 222 HD3 LYS 27 HD3 LYS 27 -22.916 17.839 11.510 223 HE2 LYS 27 HE2 LYS 27 -24.993 17.678 12.739 224 HE3 LYS 27 HE3 LYS 27 -25.114 16.763 11.237 225 HZ1 LYS 27 HZ1 LYS 27 -25.984 15.691 13.363 226 HZ2 LYS 27 HZ2 LYS 27 -24.360 15.448 13.771 227 HZ3 LYS 27 HZ3 LYS 27 -24.992 14.751 12.366 228 H SER 28 H SER 28 -24.088 13.362 7.708 229 HA SER 28 HA SER 28 -23.325 11.026 9.333 230 HB2 SER 28 HB2 SER 28 -25.570 11.463 9.856 231 HB3 SER 28 HB3 SER 28 -25.968 11.904 8.196 232 HG SER 28 HG SER 28 -25.413 9.314 9.211 233 H GLY 29 H GLY 29 -23.720 12.285 6.133 234 HA2 GLY 29 HA2 GLY 29 -22.325 11.187 4.424 235 HA3 GLY 29 HA3 GLY 29 -22.917 9.655 5.050 236 H GLU 30 H GLU 30 -24.573 12.683 4.170 237 HA GLU 30 HA GLU 30 -26.802 11.395 3.052 238 HB2 GLU 30 HB2 GLU 30 -25.741 14.179 2.543 239 HB3 GLU 30 HB3 GLU 30 -27.336 13.609 2.074 240 HG2 GLU 30 HG2 GLU 30 -26.264 13.981 4.855 241 HG3 GLU 30 HG3 GLU 30 -27.574 14.864 4.073 242 H LYS 31 H LYS 31 -24.619 13.458 1.159 243 HA LYS 31 HA LYS 31 -23.763 11.539 -0.677 244 HB2 LYS 31 HB2 LYS 31 -26.440 11.944 -1.023 245 HB3 LYS 31 HB3 LYS 31 -25.767 13.117 -2.147 246 HG2 LYS 31 HG2 LYS 31 -26.160 11.091 -3.334 247 HG3 LYS 31 HG3 LYS 31 -24.416 11.282 -3.149 248 HD2 LYS 31 HD2 LYS 31 -24.778 9.833 -1.005 249 HD3 LYS 31 HD3 LYS 31 -26.271 9.353 -1.817 250 HE2 LYS 31 HE2 LYS 31 -23.483 9.118 -2.950 251 HE3 LYS 31 HE3 LYS 31 -24.440 7.794 -2.286 252 HZ1 LYS 31 HZ1 LYS 31 -26.044 8.073 -4.028 253 HZ2 LYS 31 HZ2 LYS 31 -24.513 7.916 -4.728 254 HZ3 LYS 31 HZ3 LYS 31 -25.243 9.439 -4.625 255 H PHE 32 H PHE 32 -21.866 12.583 -0.870 256 HA PHE 32 HA PHE 32 -21.389 15.298 -0.872 257 HB2 PHE 32 HB2 PHE 32 -19.604 13.633 -0.687 258 HB3 PHE 32 HB3 PHE 32 -19.857 13.157 -2.364 259 HD1 PHE 32 HD1 PHE 32 -19.317 14.760 -4.188 260 HD2 PHE 32 HD2 PHE 32 -18.280 15.501 -0.127 261 HE1 PHE 32 HE1 PHE 32 -17.692 16.457 -4.916 262 HE2 PHE 32 HE2 PHE 32 -16.654 17.201 -0.849 263 HZ PHE 32 HZ PHE 32 -16.358 17.681 -3.246 264 H GLY 33 H GLY 33 -22.187 13.200 -3.603 265 HA2 GLY 33 HA2 GLY 33 -21.790 15.109 -5.643 266 HA3 GLY 33 HA3 GLY 33 -22.801 13.677 -5.763 267 H LYS 34 H LYS 34 -24.560 14.402 -3.593 268 HA LYS 34 HA LYS 34 -26.537 15.776 -4.984 269 HB2 LYS 34 HB2 LYS 34 -27.031 14.353 -3.066 270 HB3 LYS 34 HB3 LYS 34 -26.186 15.465 -1.997 271 HG2 LYS 34 HG2 LYS 34 -28.611 15.708 -1.841 272 HG3 LYS 34 HG3 LYS 34 -27.843 17.182 -2.432 273 HD2 LYS 34 HD2 LYS 34 -28.446 16.586 -4.722 274 HD3 LYS 34 HD3 LYS 34 -29.189 15.092 -4.145 275 HE2 LYS 34 HE2 LYS 34 -31.023 16.472 -4.335 276 HE3 LYS 34 HE3 LYS 34 -30.587 16.702 -2.642 277 HZ1 LYS 34 HZ1 LYS 34 -30.859 18.656 -4.565 278 HZ2 LYS 34 HZ2 LYS 34 -29.194 18.534 -4.300 279 HZ3 LYS 34 HZ3 LYS 34 -30.234 18.846 -3.004 280 H LEU 35 H LEU 35 -23.864 16.975 -3.151 281 HA LEU 35 HA LEU 35 -24.967 19.692 -3.172 282 HB2 LEU 35 HB2 LEU 35 -22.358 18.942 -1.918 283 HB3 LEU 35 HB3 LEU 35 -23.456 20.256 -1.502 284 HG LEU 35 HG LEU 35 -23.874 17.325 -0.918 285 HD11 LEU 35 HD11 LEU 35 -22.206 18.259 0.527 286 HD12 LEU 35 HD12 LEU 35 -23.707 18.093 1.436 287 HD13 LEU 35 HD13 LEU 35 -23.207 19.676 0.843 288 HD21 LEU 35 HD21 LEU 35 -25.608 19.739 -0.452 289 HD22 LEU 35 HD22 LEU 35 -25.803 18.229 0.440 290 HD23 LEU 35 HD23 LEU 35 -26.013 18.252 -1.311 291 H ALA 36 H ALA 36 -22.472 17.694 -4.544 292 HA ALA 36 HA ALA 36 -20.943 19.858 -5.643 293 HB1 ALA 36 HB1 ALA 36 -20.865 16.997 -6.560 294 HB2 ALA 36 HB2 ALA 36 -19.586 18.209 -6.642 295 HB3 ALA 36 HB3 ALA 36 -20.073 17.545 -5.082 296 H LYS 37 H LYS 37 -23.789 18.186 -6.543 297 HA LYS 37 HA LYS 37 -23.554 18.805 -9.369 298 HB2 LYS 37 HB2 LYS 37 -24.844 16.819 -8.026 299 HB3 LYS 37 HB3 LYS 37 -26.168 17.942 -8.309 300 HG2 LYS 37 HG2 LYS 37 -25.299 17.943 -10.756 301 HG3 LYS 37 HG3 LYS 37 -24.508 16.438 -10.281 302 HD2 LYS 37 HD2 LYS 37 -26.549 15.715 -11.128 303 HD3 LYS 37 HD3 LYS 37 -26.839 15.766 -9.388 304 HE2 LYS 37 HE2 LYS 37 -27.421 18.225 -10.939 305 HE3 LYS 37 HE3 LYS 37 -28.509 16.855 -11.160 306 HZ1 LYS 37 HZ1 LYS 37 -28.071 18.521 -8.803 307 HZ2 LYS 37 HZ2 LYS 37 -28.389 16.882 -8.536 308 HZ3 LYS 37 HZ3 LYS 37 -29.499 17.830 -9.390 309 H GLU 38 H GLU 38 -24.075 20.681 -6.824 310 HA GLU 38 HA GLU 38 -25.798 22.499 -8.341 311 HB2 GLU 38 HB2 GLU 38 -26.181 22.084 -5.380 312 HB3 GLU 38 HB3 GLU 38 -27.195 23.004 -6.481 313 HG2 GLU 38 HG2 GLU 38 -27.366 20.594 -7.634 314 HG3 GLU 38 HG3 GLU 38 -27.101 20.105 -5.962 315 H LEU 39 H LEU 39 -24.089 22.316 -5.212 316 HA LEU 39 HA LEU 39 -23.443 25.009 -5.009 317 HB2 LEU 39 HB2 LEU 39 -21.883 22.631 -4.009 318 HB3 LEU 39 HB3 LEU 39 -21.656 24.295 -3.474 319 HG LEU 39 HG LEU 39 -24.055 22.531 -3.001 320 HD11 LEU 39 HD11 LEU 39 -21.697 22.761 -1.602 321 HD12 LEU 39 HD12 LEU 39 -23.227 22.162 -0.964 322 HD13 LEU 39 HD13 LEU 39 -22.783 23.855 -0.746 323 HD21 LEU 39 HD21 LEU 39 -24.605 24.677 -1.536 324 HD22 LEU 39 HD22 LEU 39 -25.151 24.513 -3.205 325 HD23 LEU 39 HD23 LEU 39 -23.718 25.473 -2.837 326 H SER 40 H SER 40 -21.546 22.359 -6.424 327 HA SER 40 HA SER 40 -19.231 23.702 -7.063 328 HB2 SER 40 HB2 SER 40 -19.946 21.210 -7.452 329 HB3 SER 40 HB3 SER 40 -20.410 21.790 -9.051 330 HG SER 40 HG SER 40 -17.987 21.160 -8.178 331 H ILE 41 H ILE 41 -19.225 25.705 -7.893 332 HA ILE 41 HA ILE 41 -21.100 26.577 -9.874 333 HB ILE 41 HB ILE 41 -19.686 28.636 -9.959 334 HG12 ILE 41 HG12 ILE 41 -18.173 27.907 -7.558 335 HG13 ILE 41 HG13 ILE 41 -17.703 26.989 -8.984 336 HG21 ILE 41 HG21 ILE 41 -20.056 29.148 -7.432 337 HG22 ILE 41 HG22 ILE 41 -21.440 28.836 -8.478 338 HG23 ILE 41 HG23 ILE 41 -20.832 27.564 -7.420 339 HD11 ILE 41 HD11 ILE 41 -17.147 29.734 -8.284 340 HD12 ILE 41 HD12 ILE 41 -16.397 28.700 -9.501 341 HD13 ILE 41 HD13 ILE 41 -17.865 29.596 -9.889 342 H ASP 42 H ASP 42 -17.989 25.093 -9.924 343 HA ASP 42 HA ASP 42 -17.078 25.967 -12.443 344 HB2 ASP 42 HB2 ASP 42 -15.688 24.800 -10.715 345 HB3 ASP 42 HB3 ASP 42 -16.514 23.300 -11.133 346 H SER 43 H SER 43 -18.125 25.725 -14.298 347 HA SER 43 HA SER 43 -20.261 24.063 -14.820 348 HB2 SER 43 HB2 SER 43 -19.672 25.940 -16.271 349 HB3 SER 43 HB3 SER 43 -18.206 25.106 -16.785 350 HG SER 43 HG SER 43 -19.374 23.732 -17.965 351 H GLY 44 H GLY 44 -16.838 23.365 -14.989 352 HA2 GLY 44 HA2 GLY 44 -17.333 20.762 -16.225 353 HA3 GLY 44 HA3 GLY 44 -15.760 21.473 -15.892 354 H SER 45 H SER 45 -18.525 20.946 -13.730 355 HA SER 45 HA SER 45 -17.214 18.771 -12.371 356 HB2 SER 45 HB2 SER 45 -17.669 21.316 -10.804 357 HB3 SER 45 HB3 SER 45 -16.884 19.837 -10.249 358 HG SER 45 HG SER 45 -15.939 21.693 -12.171 359 H ALA 46 H ALA 46 -19.745 21.249 -12.188 360 HA ALA 46 HA ALA 46 -21.491 19.924 -10.463 361 HB1 ALA 46 HB1 ALA 46 -22.983 21.574 -10.933 362 HB2 ALA 46 HB2 ALA 46 -21.529 22.333 -11.581 363 HB3 ALA 46 HB3 ALA 46 -22.661 21.526 -12.666 364 H LYS 47 H LYS 47 -20.667 19.244 -13.720 365 HA LYS 47 HA LYS 47 -23.079 17.731 -14.271 366 HB2 LYS 47 HB2 LYS 47 -20.598 18.405 -15.812 367 HB3 LYS 47 HB3 LYS 47 -21.629 17.087 -16.354 368 HG2 LYS 47 HG2 LYS 47 -23.541 18.693 -16.374 369 HG3 LYS 47 HG3 LYS 47 -22.382 19.981 -16.038 370 HD2 LYS 47 HD2 LYS 47 -22.518 20.080 -18.337 371 HD3 LYS 47 HD3 LYS 47 -21.135 19.004 -18.118 372 HE2 LYS 47 HE2 LYS 47 -23.890 17.866 -18.335 373 HE3 LYS 47 HE3 LYS 47 -23.037 18.374 -19.791 374 HZ1 LYS 47 HZ1 LYS 47 -22.392 16.198 -17.926 375 HZ2 LYS 47 HZ2 LYS 47 -21.138 16.940 -18.785 376 HZ3 LYS 47 HZ3 LYS 47 -22.407 16.192 -19.617 377 H LYS 48 H LYS 48 -19.981 17.199 -12.915 378 HA LYS 48 HA LYS 48 -20.397 14.285 -13.073 379 HB2 LYS 48 HB2 LYS 48 -17.850 14.224 -12.635 380 HB3 LYS 48 HB3 LYS 48 -18.414 14.622 -14.253 381 HG2 LYS 48 HG2 LYS 48 -17.931 16.858 -12.363 382 HG3 LYS 48 HG3 LYS 48 -16.532 16.021 -13.041 383 HD2 LYS 48 HD2 LYS 48 -18.708 16.850 -14.893 384 HD3 LYS 48 HD3 LYS 48 -17.637 18.099 -14.255 385 HE2 LYS 48 HE2 LYS 48 -16.650 15.581 -15.581 386 HE3 LYS 48 HE3 LYS 48 -16.940 17.086 -16.452 387 HZ1 LYS 48 HZ1 LYS 48 -14.846 17.571 -15.927 388 HZ2 LYS 48 HZ2 LYS 48 -14.743 16.352 -14.760 389 HZ3 LYS 48 HZ3 LYS 48 -15.401 17.857 -14.356 390 H ASN 49 H ASN 49 -21.366 16.276 -11.088 391 HA ASN 49 HA ASN 49 -21.533 16.563 -8.832 392 HB2 ASN 49 HB2 ASN 49 -20.675 13.660 -8.881 393 HB3 ASN 49 HB3 ASN 49 -21.399 14.478 -7.499 394 HD21 ASN 49 HD21 ASN 49 -23.570 15.267 -7.718 395 HD22 ASN 49 HD22 ASN 49 -24.663 14.482 -8.800 396 H GLY 50 H GLY 50 -18.997 17.284 -10.006 397 HA2 GLY 50 HA2 GLY 50 -16.864 17.868 -9.386 398 HA3 GLY 50 HA3 GLY 50 -17.513 17.901 -7.753 399 H ASN 51 H ASN 51 -17.546 14.948 -9.579 400 HA ASN 51 HA ASN 51 -15.602 13.822 -7.696 401 HB2 ASN 51 HB2 ASN 51 -18.009 12.866 -8.249 402 HB3 ASN 51 HB3 ASN 51 -17.157 12.125 -9.600 403 HD21 ASN 51 HD21 ASN 51 -14.943 11.167 -8.829 404 HD22 ASN 51 HD22 ASN 51 -15.059 10.138 -7.447 405 H LEU 52 H LEU 52 -13.743 14.677 -8.749 406 HA LEU 52 HA LEU 52 -13.148 14.170 -11.475 407 HB2 LEU 52 HB2 LEU 52 -10.831 14.788 -10.833 408 HB3 LEU 52 HB3 LEU 52 -12.051 15.971 -10.365 409 HG LEU 52 HG LEU 52 -11.920 14.673 -8.066 410 HD11 LEU 52 HD11 LEU 52 -9.818 13.482 -9.555 411 HD12 LEU 52 HD12 LEU 52 -10.280 13.199 -7.877 412 HD13 LEU 52 HD13 LEU 52 -9.102 14.452 -8.267 413 HD21 LEU 52 HD21 LEU 52 -10.971 16.561 -7.320 414 HD22 LEU 52 HD22 LEU 52 -11.064 17.088 -9.000 415 HD23 LEU 52 HD23 LEU 52 -9.570 16.390 -8.376 416 H GLY 53 H GLY 53 -13.208 12.148 -8.779 417 HA2 GLY 53 HA2 GLY 53 -12.735 9.896 -8.616 418 HA3 GLY 53 HA3 GLY 53 -12.185 9.938 -10.285 419 H TYR 54 H TYR 54 -10.164 9.258 -10.446 420 HA TYR 54 HA TYR 54 -8.337 9.570 -8.202 421 HB2 TYR 54 HB2 TYR 54 -8.512 7.829 -10.574 422 HB3 TYR 54 HB3 TYR 54 -6.879 8.314 -10.132 423 HD1 TYR 54 HD1 TYR 54 -9.800 7.588 -7.936 424 HD2 TYR 54 HD2 TYR 54 -5.918 6.402 -9.210 425 HE1 TYR 54 HE1 TYR 54 -9.764 5.855 -6.191 426 HE2 TYR 54 HE2 TYR 54 -5.872 4.664 -7.469 427 HH TYR 54 HH TYR 54 -7.888 4.595 -4.888 428 H PHE 55 H PHE 55 -6.578 10.865 -8.167 429 HA PHE 55 HA PHE 55 -5.813 12.288 -10.608 430 HB2 PHE 55 HB2 PHE 55 -6.089 14.413 -9.746 431 HB3 PHE 55 HB3 PHE 55 -7.457 13.583 -9.011 432 HD1 PHE 55 HD2 PHE 55 -6.460 12.206 -6.759 433 HD2 PHE 55 HD1 PHE 55 -5.207 15.965 -8.315 434 HE1 PHE 55 HE2 PHE 55 -5.656 12.859 -4.527 435 HE2 PHE 55 HE1 PHE 55 -4.400 16.623 -6.087 436 HZ PHE 55 HZ PHE 55 -4.623 15.069 -4.189 437 H THR 56 H THR 56 -3.812 13.764 -9.990 438 HA THR 56 HA THR 56 -2.069 12.431 -8.063 439 HB THR 56 HB THR 56 -0.286 12.033 -9.602 440 HG1 THR 56 HG1 THR 56 -0.480 13.740 -11.027 441 HG21 THR 56 HG21 THR 56 -1.895 10.242 -9.544 442 HG22 THR 56 HG22 THR 56 -1.327 10.433 -11.202 443 HG23 THR 56 HG23 THR 56 -2.907 11.058 -10.735 444 H LYS 57 H LYS 57 0.195 13.597 -8.179 445 HA LYS 57 HA LYS 57 -0.329 16.360 -7.618 446 HB2 LYS 57 HB2 LYS 57 2.346 14.960 -7.756 447 HB3 LYS 57 HB3 LYS 57 1.987 16.476 -6.940 448 HG2 LYS 57 HG2 LYS 57 0.238 14.865 -5.695 449 HG3 LYS 57 HG3 LYS 57 1.506 13.700 -6.084 450 HD2 LYS 57 HD2 LYS 57 2.171 16.337 -4.821 451 HD3 LYS 57 HD3 LYS 57 1.631 14.973 -3.839 452 HE2 LYS 57 HE2 LYS 57 3.884 14.620 -3.772 453 HE3 LYS 57 HE3 LYS 57 3.490 13.704 -5.226 454 HZ1 LYS 57 HZ1 LYS 57 4.117 16.527 -5.582 455 HZ2 LYS 57 HZ2 LYS 57 4.504 15.201 -6.557 456 HZ3 LYS 57 HZ3 LYS 57 5.404 15.514 -5.159 457 H GLY 58 H GLY 58 -0.642 17.726 -9.263 458 HA2 GLY 58 HA2 GLY 58 0.764 19.095 -10.819 459 HA3 GLY 58 HA3 GLY 58 1.220 17.565 -11.552 460 H MET 59 H MET 59 -1.983 17.469 -10.584 461 HA MET 59 HA MET 59 -2.873 18.129 -13.312 462 HB2 MET 59 HB2 MET 59 -4.096 16.177 -11.354 463 HB3 MET 59 HB3 MET 59 -4.686 16.510 -12.977 464 HG2 MET 59 HG2 MET 59 -1.897 15.530 -12.534 465 HG3 MET 59 HG3 MET 59 -3.259 14.412 -12.571 466 HE1 MET 59 HE1 MET 59 -3.578 13.164 -14.190 467 HE2 MET 59 HE2 MET 59 -3.792 13.537 -15.901 468 HE3 MET 59 HE3 MET 59 -2.189 13.147 -15.276 469 H MET 60 H MET 60 -2.830 19.391 -10.332 470 HA MET 60 HA MET 60 -5.357 20.818 -10.771 471 HB2 MET 60 HB2 MET 60 -4.416 19.882 -8.056 472 HB3 MET 60 HB3 MET 60 -5.909 20.738 -8.416 473 HG2 MET 60 HG2 MET 60 -5.299 18.056 -9.606 474 HG3 MET 60 HG3 MET 60 -6.043 18.228 -8.018 475 HE1 MET 60 HE1 MET 60 -6.684 16.875 -10.728 476 HE2 MET 60 HE2 MET 60 -8.314 16.660 -10.089 477 HE3 MET 60 HE3 MET 60 -8.071 17.500 -11.622 478 H VAL 61 H VAL 61 -5.283 22.560 -8.678 479 HA VAL 61 HA VAL 61 -2.949 24.186 -9.363 480 HB VAL 61 HB VAL 61 -4.157 26.078 -8.486 481 HG11 VAL 61 HG11 VAL 61 -5.538 26.300 -10.257 482 HG12 VAL 61 HG12 VAL 61 -4.822 24.762 -10.741 483 HG13 VAL 61 HG13 VAL 61 -6.384 24.789 -9.923 484 HG21 VAL 61 HG21 VAL 61 -6.383 25.873 -7.512 485 HG22 VAL 61 HG22 VAL 61 -6.299 24.117 -7.659 486 HG23 VAL 61 HG23 VAL 61 -5.201 24.965 -6.569 487 H LYS 62 H LYS 62 -2.061 25.574 -7.570 488 HA LYS 62 HA LYS 62 -0.924 24.006 -5.577 489 HB2 LYS 62 HB2 LYS 62 0.299 25.909 -5.883 490 HB3 LYS 62 HB3 LYS 62 -1.123 26.915 -6.118 491 HG2 LYS 62 HG2 LYS 62 -1.498 27.095 -3.792 492 HG3 LYS 62 HG3 LYS 62 -0.334 25.817 -3.436 493 HD2 LYS 62 HD2 LYS 62 0.917 27.684 -2.958 494 HD3 LYS 62 HD3 LYS 62 1.338 27.434 -4.653 495 HE2 LYS 62 HE2 LYS 62 -0.720 29.001 -5.071 496 HE3 LYS 62 HE3 LYS 62 -0.412 29.508 -3.411 497 HZ1 LYS 62 HZ1 LYS 62 1.587 29.557 -5.608 498 HZ2 LYS 62 HZ2 LYS 62 1.831 30.101 -4.025 499 HZ3 LYS 62 HZ3 LYS 62 0.737 30.903 -5.035 500 HA PRO 63 HA PRO 63 -4.068 25.874 -2.423 501 HB2 PRO 63 HB2 PRO 63 -6.164 27.275 -3.430 502 HB3 PRO 63 HB3 PRO 63 -4.622 28.027 -3.004 503 HG2 PRO 63 HG2 PRO 63 -5.638 27.180 -5.689 504 HG3 PRO 63 HG3 PRO 63 -4.781 28.664 -5.234 505 HD2 PRO 63 HD2 PRO 63 -3.541 26.573 -6.426 506 HD3 PRO 63 HD3 PRO 63 -2.721 27.633 -5.262 507 H PHE 64 H PHE 64 -4.150 23.442 -3.798 508 HA PHE 64 HA PHE 64 -6.760 22.532 -3.114 509 HB2 PHE 64 HB2 PHE 64 -7.358 23.456 -5.276 510 HB3 PHE 64 HB3 PHE 64 -6.022 22.606 -6.047 511 HD1 PHE 64 HD2 PHE 64 -6.097 20.148 -6.281 512 HD2 PHE 64 HD1 PHE 64 -9.418 22.376 -4.827 513 HE1 PHE 64 HE2 PHE 64 -7.573 18.230 -6.725 514 HE2 PHE 64 HE1 PHE 64 -10.899 20.461 -5.266 515 HZ PHE 64 HZ PHE 64 -9.977 18.385 -6.218 516 H GLU 65 H GLU 65 -4.172 21.615 -5.396 517 HA GLU 65 HA GLU 65 -4.220 18.890 -4.983 518 HB2 GLU 65 HB2 GLU 65 -2.888 19.783 -6.751 519 HB3 GLU 65 HB3 GLU 65 -1.911 20.720 -5.630 520 HG2 GLU 65 HG2 GLU 65 -1.009 18.639 -4.698 521 HG3 GLU 65 HG3 GLU 65 -1.962 17.720 -5.861 522 H ASP 66 H ASP 66 -2.293 21.310 -3.231 523 HA ASP 66 HA ASP 66 -0.890 19.641 -1.537 524 HB2 ASP 66 HB2 ASP 66 -0.374 21.977 -1.580 525 HB3 ASP 66 HB3 ASP 66 -2.001 22.409 -1.061 526 H ALA 67 H ALA 67 -4.169 20.916 -1.164 527 HA ALA 67 HA ALA 67 -4.520 19.221 1.213 528 HB1 ALA 67 HB1 ALA 67 -6.622 20.612 1.519 529 HB2 ALA 67 HB2 ALA 67 -5.082 21.443 1.746 530 HB3 ALA 67 HB3 ALA 67 -5.988 21.659 0.248 531 H ALA 68 H ALA 68 -4.493 18.025 -1.350 532 HA ALA 68 HA ALA 68 -7.325 17.276 -1.682 533 HB1 ALA 68 HB1 ALA 68 -6.564 18.287 -3.696 534 HB2 ALA 68 HB2 ALA 68 -5.091 17.319 -3.698 535 HB3 ALA 68 HB3 ALA 68 -6.651 16.549 -3.986 536 H PHE 69 H PHE 69 -4.105 16.178 -1.056 537 HA PHE 69 HA PHE 69 -5.086 13.400 -0.964 538 HB2 PHE 69 HB2 PHE 69 -2.579 12.834 -1.189 539 HB3 PHE 69 HB3 PHE 69 -3.431 13.386 -2.628 540 HD1 PHE 69 HD2 PHE 69 -1.615 14.923 0.251 541 HD2 PHE 69 HD1 PHE 69 -2.287 14.856 -3.950 542 HE1 PHE 69 HE2 PHE 69 0.045 16.715 -0.040 543 HE2 PHE 69 HE1 PHE 69 -0.627 16.647 -4.248 544 HZ PHE 69 HZ PHE 69 0.540 17.581 -2.291 545 H LYS 70 H LYS 70 -4.236 15.979 0.893 546 HA LYS 70 HA LYS 70 -2.887 14.475 2.988 547 HB2 LYS 70 HB2 LYS 70 -2.397 16.515 3.990 548 HB3 LYS 70 HB3 LYS 70 -2.391 16.922 2.279 549 HG2 LYS 70 HG2 LYS 70 -4.719 17.737 2.514 550 HG3 LYS 70 HG3 LYS 70 -4.607 17.438 4.250 551 HD2 LYS 70 HD2 LYS 70 -2.587 18.958 4.252 552 HD3 LYS 70 HD3 LYS 70 -3.020 19.394 2.597 553 HE2 LYS 70 HE2 LYS 70 -4.127 21.046 3.702 554 HE3 LYS 70 HE3 LYS 70 -5.383 19.809 3.731 555 HZ1 LYS 70 HZ1 LYS 70 -4.492 21.097 5.897 556 HZ2 LYS 70 HZ2 LYS 70 -3.520 19.714 5.942 557 HZ3 LYS 70 HZ3 LYS 70 -5.204 19.563 5.938 558 H LEU 71 H LEU 71 -5.886 14.380 2.052 559 HA LEU 71 HA LEU 71 -7.189 14.889 4.612 560 HB2 LEU 71 HB2 LEU 71 -8.520 13.782 2.165 561 HB3 LEU 71 HB3 LEU 71 -9.236 14.692 3.493 562 HG LEU 71 HG LEU 71 -7.349 15.858 1.449 563 HD11 LEU 71 HD11 LEU 71 -9.122 16.567 0.191 564 HD12 LEU 71 HD12 LEU 71 -10.252 16.501 1.543 565 HD13 LEU 71 HD13 LEU 71 -9.738 15.011 0.750 566 HD21 LEU 71 HD21 LEU 71 -7.877 17.961 2.374 567 HD22 LEU 71 HD22 LEU 71 -7.509 16.915 3.745 568 HD23 LEU 71 HD23 LEU 71 -9.186 17.291 3.349 569 H GLN 72 H GLN 72 -8.845 13.178 5.289 570 HA GLN 72 HA GLN 72 -7.443 10.618 5.413 571 HB2 GLN 72 HB2 GLN 72 -8.753 12.138 7.330 572 HB3 GLN 72 HB3 GLN 72 -9.877 10.827 6.998 573 HG2 GLN 72 HG2 GLN 72 -8.454 9.217 7.792 574 HG3 GLN 72 HG3 GLN 72 -7.013 10.181 7.476 575 HE21 GLN 72 HE21 GLN 72 -8.362 8.798 9.896 576 HE22 GLN 72 HE22 GLN 72 -8.213 9.982 11.145 577 H VAL 73 H VAL 73 -8.861 8.630 5.465 578 HA VAL 73 HA VAL 73 -10.190 8.345 3.013 579 HB VAL 73 HB VAL 73 -10.451 6.578 5.450 580 HG11 VAL 73 HG11 VAL 73 -10.570 5.147 3.004 581 HG12 VAL 73 HG12 VAL 73 -11.826 5.333 4.231 582 HG13 VAL 73 HG13 VAL 73 -11.709 6.489 2.903 583 HG21 VAL 73 HG21 VAL 73 -8.115 6.914 4.809 584 HG22 VAL 73 HG22 VAL 73 -8.640 5.264 4.470 585 HG23 VAL 73 HG23 VAL 73 -8.496 6.431 3.155 586 H GLY 74 H GLY 74 -11.904 9.679 2.655 587 HA2 GLY 74 HA2 GLY 74 -14.217 10.016 2.635 588 HA3 GLY 74 HA3 GLY 74 -14.349 9.047 4.094 589 H GLU 75 H GLU 75 -12.048 11.644 3.914 590 HA GLU 75 HA GLU 75 -13.692 13.154 5.832 591 HB2 GLU 75 HB2 GLU 75 -11.119 12.221 6.123 592 HB3 GLU 75 HB3 GLU 75 -10.864 13.891 5.639 593 HG2 GLU 75 HG2 GLU 75 -12.346 14.616 7.471 594 HG3 GLU 75 HG3 GLU 75 -12.498 12.936 7.979 595 H VAL 76 H VAL 76 -14.168 15.263 5.474 596 HA VAL 76 HA VAL 76 -13.642 16.291 2.806 597 HB VAL 76 HB VAL 76 -15.317 17.481 5.020 598 HG11 VAL 76 HG11 VAL 76 -14.533 19.114 3.358 599 HG12 VAL 76 HG12 VAL 76 -15.239 18.129 2.075 600 HG13 VAL 76 HG13 VAL 76 -16.279 18.878 3.287 601 HG21 VAL 76 HG21 VAL 76 -16.956 16.080 4.478 602 HG22 VAL 76 HG22 VAL 76 -16.793 16.473 2.767 603 HG23 VAL 76 HG23 VAL 76 -15.804 15.197 3.476 604 H SER 77 H SER 77 -12.369 17.993 2.314 605 HA SER 77 HA SER 77 -10.467 18.868 4.278 606 HB2 SER 77 HB2 SER 77 -9.303 19.865 2.502 607 HB3 SER 77 HB3 SER 77 -10.089 18.480 1.742 608 HG SER 77 HG SER 77 -10.585 21.199 1.442 609 H GLU 78 H GLU 78 -9.998 21.502 3.611 610 HA GLU 78 HA GLU 78 -12.338 22.805 4.811 611 HB2 GLU 78 HB2 GLU 78 -10.550 24.687 5.145 612 HB3 GLU 78 HB3 GLU 78 -10.562 23.284 6.205 613 HG2 GLU 78 HG2 GLU 78 -8.777 22.266 4.908 614 HG3 GLU 78 HG3 GLU 78 -8.781 23.642 3.806 615 HA PRO 79 HA PRO 79 -13.209 25.268 1.287 616 HB2 PRO 79 HB2 PRO 79 -13.796 27.682 2.383 617 HB3 PRO 79 HB3 PRO 79 -14.865 26.281 2.518 618 HG2 PRO 79 HG2 PRO 79 -12.904 27.368 4.503 619 HG3 PRO 79 HG3 PRO 79 -14.553 26.773 4.770 620 HD2 PRO 79 HD2 PRO 79 -12.361 25.273 5.298 621 HD3 PRO 79 HD3 PRO 79 -13.895 24.565 4.753 622 H ILE 80 H ILE 80 -10.986 25.175 0.491 623 HA ILE 80 HA ILE 80 -9.126 27.244 1.159 624 HB ILE 80 HB ILE 80 -9.062 25.482 -1.287 625 HG12 ILE 80 HG12 ILE 80 -9.321 24.139 0.784 626 HG13 ILE 80 HG13 ILE 80 -7.760 23.892 0.010 627 HG21 ILE 80 HG21 ILE 80 -7.063 27.180 0.152 628 HG22 ILE 80 HG22 ILE 80 -6.540 25.800 -0.811 629 HG23 ILE 80 HG23 ILE 80 -7.438 27.113 -1.570 630 HD11 ILE 80 HD11 ILE 80 -7.447 24.036 2.374 631 HD12 ILE 80 HD12 ILE 80 -6.770 25.484 1.629 632 HD13 ILE 80 HD13 ILE 80 -8.331 25.559 2.445 633 H LYS 81 H LYS 81 -9.479 29.292 0.615 634 HA LYS 81 HA LYS 81 -11.131 30.053 -1.594 635 HB2 LYS 81 HB2 LYS 81 -10.919 31.358 0.531 636 HB3 LYS 81 HB3 LYS 81 -9.284 31.792 0.049 637 HG2 LYS 81 HG2 LYS 81 -10.116 33.541 -1.016 638 HG3 LYS 81 HG3 LYS 81 -10.925 32.437 -2.130 639 HD2 LYS 81 HD2 LYS 81 -12.874 32.368 -0.679 640 HD3 LYS 81 HD3 LYS 81 -12.061 33.406 0.494 641 HE2 LYS 81 HE2 LYS 81 -13.594 34.722 -0.829 642 HE3 LYS 81 HE3 LYS 81 -11.936 35.183 -1.214 643 HZ1 LYS 81 HZ1 LYS 81 -12.545 34.882 -3.320 644 HZ2 LYS 81 HZ2 LYS 81 -13.952 34.041 -2.905 645 HZ3 LYS 81 HZ3 LYS 81 -12.477 33.220 -3.006 646 H SER 82 H SER 82 -10.483 29.936 -3.634 647 HA SER 82 HA SER 82 -7.753 30.812 -4.289 648 HB2 SER 82 HB2 SER 82 -7.340 28.992 -5.680 649 HB3 SER 82 HB3 SER 82 -8.227 28.237 -4.355 650 HG SER 82 HG SER 82 -8.860 28.308 -6.939 651 H GLU 83 H GLU 83 -7.802 30.705 -6.982 652 HA GLU 83 HA GLU 83 -9.236 33.004 -7.702 653 HB2 GLU 83 HB2 GLU 83 -8.604 32.388 -10.045 654 HB3 GLU 83 HB3 GLU 83 -7.256 32.429 -8.917 655 HG2 GLU 83 HG2 GLU 83 -8.485 29.801 -9.123 656 HG3 GLU 83 HG3 GLU 83 -7.849 30.394 -10.656 657 H PHE 84 H PHE 84 -10.115 29.660 -7.703 658 HA PHE 84 HA PHE 84 -12.464 30.145 -9.368 659 HB2 PHE 84 HB2 PHE 84 -11.621 27.543 -8.087 660 HB3 PHE 84 HB3 PHE 84 -12.759 27.766 -9.412 661 HD1 PHE 84 HD1 PHE 84 -11.451 29.455 -11.286 662 HD2 PHE 84 HD2 PHE 84 -9.773 26.412 -8.828 663 HE1 PHE 84 HE1 PHE 84 -9.623 29.159 -12.907 664 HE2 PHE 84 HE2 PHE 84 -7.942 26.112 -10.444 665 HZ PHE 84 HZ PHE 84 -7.865 27.486 -12.486 666 H GLY 85 H GLY 85 -11.554 29.984 -6.081 667 HA2 GLY 85 HA2 GLY 85 -13.296 30.950 -4.579 668 HA3 GLY 85 HA3 GLY 85 -14.397 29.782 -5.294 669 H TYR 86 H TYR 86 -14.832 29.013 -3.158 670 HA TYR 86 HA TYR 86 -12.730 27.860 -1.581 671 HB2 TYR 86 HB2 TYR 86 -15.741 27.704 -1.354 672 HB3 TYR 86 HB3 TYR 86 -14.628 27.003 -0.184 673 HD1 TYR 86 HD2 TYR 86 -12.722 28.808 0.565 674 HD2 TYR 86 HD1 TYR 86 -16.663 29.721 -0.751 675 HE1 TYR 86 HE2 TYR 86 -12.616 30.956 1.757 676 HE2 TYR 86 HE1 TYR 86 -16.568 31.872 0.437 677 HH TYR 86 HH TYR 86 -14.352 33.452 1.209 678 H HIS 87 H HIS 87 -11.811 25.964 -1.944 679 HA HIS 87 HA HIS 87 -13.180 24.000 -3.625 680 HB2 HIS 87 HB2 HIS 87 -10.308 24.334 -2.768 681 HB3 HIS 87 HB3 HIS 87 -10.884 22.869 -3.559 682 HD1 HIS 87 HD1 HIS 87 -11.306 22.973 -6.068 683 HD2 HIS 87 HD2 HIS 87 -10.254 26.638 -4.422 684 HE1 HIS 87 HE1 HIS 87 -10.853 24.483 -8.026 685 H ILE 88 H ILE 88 -14.128 22.272 -2.783 686 HA ILE 88 HA ILE 88 -13.428 21.497 -0.028 687 HB ILE 88 HB ILE 88 -16.040 21.069 -1.485 688 HG12 ILE 88 HG12 ILE 88 -15.659 23.416 -0.846 689 HG13 ILE 88 HG13 ILE 88 -16.955 22.695 0.101 690 HG21 ILE 88 HG21 ILE 88 -16.200 19.356 -0.039 691 HG22 ILE 88 HG22 ILE 88 -14.920 19.980 1.000 692 HG23 ILE 88 HG23 ILE 88 -16.559 20.621 1.136 693 HD11 ILE 88 HD11 ILE 88 -15.621 24.017 1.554 694 HD12 ILE 88 HD12 ILE 88 -15.302 22.323 1.928 695 HD13 ILE 88 HD13 ILE 88 -14.138 23.253 0.983 696 H ILE 89 H ILE 89 -11.747 20.102 -0.704 697 HA ILE 89 HA ILE 89 -12.302 17.930 -2.516 698 HB ILE 89 HB ILE 89 -9.911 18.162 -0.699 699 HG12 ILE 89 HG12 ILE 89 -9.161 19.081 -3.219 700 HG13 ILE 89 HG13 ILE 89 -10.709 19.864 -2.922 701 HG21 ILE 89 HG21 ILE 89 -9.116 16.400 -1.800 702 HG22 ILE 89 HG22 ILE 89 -10.723 16.209 -2.498 703 HG23 ILE 89 HG23 ILE 89 -9.489 17.125 -3.364 704 HD11 ILE 89 HD11 ILE 89 -9.489 20.281 -0.556 705 HD12 ILE 89 HD12 ILE 89 -8.102 20.282 -1.646 706 HD13 ILE 89 HD13 ILE 89 -9.436 21.405 -1.914 707 H LYS 90 H LYS 90 -12.792 15.859 -2.031 708 HA LYS 90 HA LYS 90 -12.760 15.017 0.777 709 HB2 LYS 90 HB2 LYS 90 -15.039 15.781 0.316 710 HB3 LYS 90 HB3 LYS 90 -15.123 14.726 -1.088 711 HG2 LYS 90 HG2 LYS 90 -14.632 12.838 0.627 712 HG3 LYS 90 HG3 LYS 90 -15.185 14.025 1.811 713 HD2 LYS 90 HD2 LYS 90 -17.333 14.088 0.934 714 HD3 LYS 90 HD3 LYS 90 -16.817 13.459 -0.634 715 HE2 LYS 90 HE2 LYS 90 -16.582 11.269 0.214 716 HE3 LYS 90 HE3 LYS 90 -16.676 11.823 1.884 717 HZ1 LYS 90 HZ1 LYS 90 -18.852 11.604 -0.102 718 HZ2 LYS 90 HZ2 LYS 90 -19.008 12.587 1.267 719 HZ3 LYS 90 HZ3 LYS 90 -18.762 10.923 1.444 720 H ARG 91 H ARG 91 -11.825 13.098 1.009 721 HA ARG 91 HA ARG 91 -11.042 11.572 -1.291 722 HB2 ARG 91 HB2 ARG 91 -9.608 11.838 0.726 723 HB3 ARG 91 HB3 ARG 91 -10.764 10.878 1.638 724 HG2 ARG 91 HG2 ARG 91 -10.145 8.922 0.636 725 HG3 ARG 91 HG3 ARG 91 -9.621 9.721 -0.847 726 HD2 ARG 91 HD2 ARG 91 -7.571 10.320 0.046 727 HD3 ARG 91 HD3 ARG 91 -8.148 10.203 1.707 728 HE ARG 91 HE ARG 91 -8.298 7.651 0.753 729 HH11 ARG 91 HH11 ARG 91 -5.779 10.040 1.004 730 HH12 ARG 91 HH12 ARG 91 -4.510 8.874 1.174 731 HH21 ARG 91 HH21 ARG 91 -6.637 6.105 0.976 732 HH22 ARG 91 HH22 ARG 91 -4.999 6.635 1.157 733 H PHE 92 H PHE 92 -11.703 9.525 -1.894 734 HA PHE 92 HA PHE 92 -14.140 8.518 -0.577 735 HB2 PHE 92 HB2 PHE 92 -13.518 8.852 -3.496 736 HB3 PHE 92 HB3 PHE 92 -14.665 7.625 -2.966 737 HD1 PHE 92 HD1 PHE 92 -13.942 11.261 -2.605 738 HD2 PHE 92 HD2 PHE 92 -16.886 8.189 -2.723 739 HE1 PHE 92 HE1 PHE 92 -15.717 12.963 -2.527 740 HE2 PHE 92 HE2 PHE 92 -18.666 9.886 -2.646 741 HZ PHE 92 HZ PHE 92 -18.082 12.277 -2.549 742 H GLY 93 H GLY 93 -11.134 7.776 -2.213 743 HA2 GLY 93 HA2 GLY 93 -11.311 5.029 -2.495 744 HA3 GLY 93 HA3 GLY 93 -9.818 5.895 -2.164 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -0.381 -1.350 -1.201 2 HA2 GLY 1 HA2 GLY 1 1.986 -0.988 -0.929 3 HA3 GLY 1 HA3 GLY 1 2.158 -1.107 -2.674 4 HA PRO 2 HA PRO 2 2.161 3.382 -1.476 5 HB2 PRO 2 HB2 PRO 2 4.363 4.018 -2.930 6 HB3 PRO 2 HB3 PRO 2 4.448 3.420 -1.269 7 HG2 PRO 2 HG2 PRO 2 4.837 1.936 -3.839 8 HG3 PRO 2 HG3 PRO 2 5.776 1.838 -2.339 9 HD2 PRO 2 HD2 PRO 2 3.901 0.002 -3.007 10 HD3 PRO 2 HD3 PRO 2 4.244 0.448 -1.323 11 H SER 3 H SER 3 0.246 3.592 -2.732 12 HA SER 3 HA SER 3 0.262 3.508 -5.576 13 HB2 SER 3 HB2 SER 3 -1.774 3.187 -4.149 14 HB3 SER 3 HB3 SER 3 -1.733 4.912 -3.783 15 HG SER 3 HG SER 3 -1.715 4.059 -6.458 16 H ASN 4 H ASN 4 -0.343 5.405 -6.938 17 HA ASN 4 HA ASN 4 1.214 7.760 -6.101 18 HB2 ASN 4 HB2 ASN 4 0.529 6.910 -8.922 19 HB3 ASN 4 HB3 ASN 4 1.632 8.197 -8.443 20 HD21 ASN 4 HD21 ASN 4 3.083 7.035 -6.470 21 HD22 ASN 4 HD22 ASN 4 3.991 5.708 -7.102 22 H LYS 5 H LYS 5 -1.864 6.640 -7.253 23 HA LYS 5 HA LYS 5 -2.876 9.407 -7.147 24 HB2 LYS 5 HB2 LYS 5 -4.749 8.199 -8.652 25 HB3 LYS 5 HB3 LYS 5 -3.340 9.005 -9.331 26 HG2 LYS 5 HG2 LYS 5 -2.174 6.853 -9.442 27 HG3 LYS 5 HG3 LYS 5 -3.604 6.054 -8.786 28 HD2 LYS 5 HD2 LYS 5 -3.859 5.726 -11.063 29 HD3 LYS 5 HD3 LYS 5 -4.828 7.175 -10.786 30 HE2 LYS 5 HE2 LYS 5 -1.972 7.596 -11.422 31 HE3 LYS 5 HE3 LYS 5 -2.982 6.975 -12.726 32 HZ1 LYS 5 HZ1 LYS 5 -2.720 9.576 -12.082 33 HZ2 LYS 5 HZ2 LYS 5 -4.152 9.174 -11.276 34 HZ3 LYS 5 HZ3 LYS 5 -4.023 8.925 -12.945 35 H ILE 6 H ILE 6 -5.174 9.582 -6.529 36 HA ILE 6 HA ILE 6 -6.293 7.346 -5.053 37 HB ILE 6 HB ILE 6 -6.597 8.649 -2.984 38 HG12 ILE 6 HG12 ILE 6 -4.497 10.585 -3.849 39 HG13 ILE 6 HG13 ILE 6 -6.150 10.857 -4.391 40 HG21 ILE 6 HG21 ILE 6 -4.659 7.080 -3.379 41 HG22 ILE 6 HG22 ILE 6 -3.675 8.511 -3.681 42 HG23 ILE 6 HG23 ILE 6 -4.430 8.279 -2.105 43 HD11 ILE 6 HD11 ILE 6 -6.717 10.550 -1.865 44 HD12 ILE 6 HD12 ILE 6 -5.016 10.955 -1.644 45 HD13 ILE 6 HD13 ILE 6 -6.092 12.086 -2.464 46 H LYS 7 H LYS 7 -8.506 7.626 -4.503 47 HA LYS 7 HA LYS 7 -9.944 9.244 -6.372 48 HB2 LYS 7 HB2 LYS 7 -10.479 6.971 -4.780 49 HB3 LYS 7 HB3 LYS 7 -11.637 8.203 -4.298 50 HG2 LYS 7 HG2 LYS 7 -12.009 8.483 -6.853 51 HG3 LYS 7 HG3 LYS 7 -11.281 6.877 -6.947 52 HD2 LYS 7 HD2 LYS 7 -13.217 5.957 -6.364 53 HD3 LYS 7 HD3 LYS 7 -13.207 6.867 -4.851 54 HE2 LYS 7 HE2 LYS 7 -15.129 7.706 -5.710 55 HE3 LYS 7 HE3 LYS 7 -14.006 8.806 -6.508 56 HZ1 LYS 7 HZ1 LYS 7 -15.836 7.130 -7.713 57 HZ2 LYS 7 HZ2 LYS 7 -14.326 6.434 -8.025 58 HZ3 LYS 7 HZ3 LYS 7 -14.627 8.036 -8.476 59 H CYS 8 H CYS 8 -11.265 11.007 -5.987 60 HA CYS 8 HA CYS 8 -11.852 12.073 -3.451 61 HB2 CYS 8 HB2 CYS 8 -10.374 14.010 -3.395 62 HB3 CYS 8 HB3 CYS 8 -9.426 12.527 -3.407 63 HG CYS 8 HG CYS 8 -9.621 14.966 -5.723 64 H SER 9 H SER 9 -12.870 14.218 -3.584 65 HA SER 9 HA SER 9 -13.860 14.782 -6.303 66 HB2 SER 9 HB2 SER 9 -15.422 15.110 -3.733 67 HB3 SER 9 HB3 SER 9 -16.028 15.319 -5.376 68 HG SER 9 HG SER 9 -16.618 13.290 -4.716 69 H HIS 10 H HIS 10 -15.282 17.065 -5.805 70 HA HIS 10 HA HIS 10 -13.889 18.992 -4.265 71 HB2 HIS 10 HB2 HIS 10 -12.904 20.309 -6.092 72 HB3 HIS 10 HB3 HIS 10 -12.175 18.710 -5.988 73 HD1 HIS 10 HD1 HIS 10 -13.571 21.000 -8.367 74 HD2 HIS 10 HD2 HIS 10 -13.421 16.865 -7.989 75 HE1 HIS 10 HE1 HIS 10 -14.053 20.097 -10.664 76 H ILE 11 H ILE 11 -14.972 20.949 -4.179 77 HA ILE 11 HA ILE 11 -17.203 21.381 -6.018 78 HB ILE 11 HB ILE 11 -17.504 21.235 -3.018 79 HG12 ILE 11 HG12 ILE 11 -18.982 19.759 -5.204 80 HG13 ILE 11 HG13 ILE 11 -17.607 19.096 -4.328 81 HG21 ILE 11 HG21 ILE 11 -19.416 22.261 -5.109 82 HG22 ILE 11 HG22 ILE 11 -19.868 21.885 -3.446 83 HG23 ILE 11 HG23 ILE 11 -18.704 23.168 -3.774 84 HD11 ILE 11 HD11 ILE 11 -19.708 18.268 -3.439 85 HD12 ILE 11 HD12 ILE 11 -18.863 19.253 -2.244 86 HD13 ILE 11 HD13 ILE 11 -20.238 19.920 -3.124 87 H LEU 12 H LEU 12 -17.212 23.421 -6.676 88 HA LEU 12 HA LEU 12 -15.758 25.419 -5.095 89 HB2 LEU 12 HB2 LEU 12 -16.306 25.023 -7.974 90 HB3 LEU 12 HB3 LEU 12 -16.263 26.690 -7.403 91 HG LEU 12 HG LEU 12 -14.110 26.062 -8.299 92 HD11 LEU 12 HD11 LEU 12 -12.781 26.870 -6.575 93 HD12 LEU 12 HD12 LEU 12 -13.734 26.065 -5.329 94 HD13 LEU 12 HD13 LEU 12 -14.384 27.476 -6.163 95 HD21 LEU 12 HD21 LEU 12 -13.487 24.111 -6.192 96 HD22 LEU 12 HD22 LEU 12 -13.039 24.127 -7.898 97 HD23 LEU 12 HD23 LEU 12 -14.636 23.559 -7.412 98 H VAL 13 H VAL 13 -16.719 27.216 -4.300 99 HA VAL 13 HA VAL 13 -19.485 27.805 -5.063 100 HB VAL 13 HB VAL 13 -20.216 28.026 -2.767 101 HG11 VAL 13 HG11 VAL 13 -18.887 25.344 -3.107 102 HG12 VAL 13 HG12 VAL 13 -20.326 25.711 -2.155 103 HG13 VAL 13 HG13 VAL 13 -20.379 25.822 -3.914 104 HG21 VAL 13 HG21 VAL 13 -17.480 27.027 -1.981 105 HG22 VAL 13 HG22 VAL 13 -18.057 28.684 -1.792 106 HG23 VAL 13 HG23 VAL 13 -18.819 27.377 -0.886 107 H SER 14 H SER 14 -20.184 29.895 -3.795 108 HA SER 14 HA SER 14 -17.948 31.803 -3.994 109 HB2 SER 14 HB2 SER 14 -19.903 33.472 -4.413 110 HB3 SER 14 HB3 SER 14 -19.394 32.410 -5.726 111 HG SER 14 HG SER 14 -21.157 31.142 -5.391 112 H LYS 15 H LYS 15 -19.267 30.219 -1.690 113 HA LYS 15 HA LYS 15 -19.194 32.440 0.189 114 HB2 LYS 15 HB2 LYS 15 -21.516 30.509 0.188 115 HB3 LYS 15 HB3 LYS 15 -21.285 31.888 1.254 116 HG2 LYS 15 HG2 LYS 15 -21.336 33.304 -0.877 117 HG3 LYS 15 HG3 LYS 15 -21.998 31.866 -1.656 118 HD2 LYS 15 HD2 LYS 15 -23.235 32.754 0.894 119 HD3 LYS 15 HD3 LYS 15 -23.552 33.715 -0.553 120 HE2 LYS 15 HE2 LYS 15 -23.874 30.736 -0.585 121 HE3 LYS 15 HE3 LYS 15 -25.154 31.773 0.044 122 HZ1 LYS 15 HZ1 LYS 15 -24.595 31.153 -2.618 123 HZ2 LYS 15 HZ2 LYS 15 -24.285 32.803 -2.417 124 HZ3 LYS 15 HZ3 LYS 15 -25.804 32.175 -2.018 125 H GLN 16 H GLN 16 -18.485 31.871 2.215 126 HA GLN 16 HA GLN 16 -17.051 29.433 2.443 127 HB2 GLN 16 HB2 GLN 16 -16.667 30.193 4.809 128 HB3 GLN 16 HB3 GLN 16 -16.191 31.350 3.572 129 HG2 GLN 16 HG2 GLN 16 -17.730 32.862 4.201 130 HG3 GLN 16 HG3 GLN 16 -18.935 31.635 4.588 131 HE21 GLN 16 HE21 GLN 16 -18.388 30.306 6.565 132 HE22 GLN 16 HE22 GLN 16 -17.770 31.170 7.928 133 H SER 17 H SER 17 -20.226 30.462 3.418 134 HA SER 17 HA SER 17 -20.663 28.325 5.280 135 HB2 SER 17 HB2 SER 17 -21.855 30.618 5.180 136 HB3 SER 17 HB3 SER 17 -22.854 29.884 3.926 137 HG SER 17 HG SER 17 -22.534 28.992 6.600 138 H GLU 18 H GLU 18 -20.930 28.722 1.864 139 HA GLU 18 HA GLU 18 -22.718 26.484 1.489 140 HB2 GLU 18 HB2 GLU 18 -21.334 28.437 -0.287 141 HB3 GLU 18 HB3 GLU 18 -21.843 26.905 -0.984 142 HG2 GLU 18 HG2 GLU 18 -23.727 28.657 0.556 143 HG3 GLU 18 HG3 GLU 18 -23.443 28.868 -1.171 144 H ALA 19 H ALA 19 -19.274 27.119 1.341 145 HA ALA 19 HA ALA 19 -18.647 24.531 0.225 146 HB1 ALA 19 HB1 ALA 19 -16.957 25.844 -0.445 147 HB2 ALA 19 HB2 ALA 19 -17.176 26.978 0.888 148 HB3 ALA 19 HB3 ALA 19 -16.273 25.485 1.140 149 H LEU 20 H LEU 20 -18.751 26.033 3.388 150 HA LEU 20 HA LEU 20 -17.477 23.773 4.680 151 HB2 LEU 20 HB2 LEU 20 -17.405 26.304 5.335 152 HB3 LEU 20 HB3 LEU 20 -18.921 25.933 6.155 153 HG LEU 20 HG LEU 20 -17.515 24.025 7.262 154 HD11 LEU 20 HD11 LEU 20 -15.167 24.781 7.632 155 HD12 LEU 20 HD12 LEU 20 -15.400 25.962 6.343 156 HD13 LEU 20 HD13 LEU 20 -15.507 24.238 5.989 157 HD21 LEU 20 HD21 LEU 20 -18.486 26.317 8.152 158 HD22 LEU 20 HD22 LEU 20 -16.773 26.722 8.264 159 HD23 LEU 20 HD23 LEU 20 -17.407 25.324 9.133 160 H ALA 21 H ALA 21 -20.460 24.276 3.433 161 HA ALA 21 HA ALA 21 -22.021 23.097 5.571 162 HB1 ALA 21 HB1 ALA 21 -23.833 23.139 3.763 163 HB2 ALA 21 HB2 ALA 21 -23.221 24.687 4.348 164 HB3 ALA 21 HB3 ALA 21 -22.668 24.049 2.799 165 H ILE 22 H ILE 22 -20.158 22.016 2.923 166 HA ILE 22 HA ILE 22 -21.571 19.576 2.428 167 HB ILE 22 HB ILE 22 -18.734 20.338 1.726 168 HG12 ILE 22 HG12 ILE 22 -20.287 20.256 -0.581 169 HG13 ILE 22 HG13 ILE 22 -21.328 21.038 0.604 170 HG21 ILE 22 HG21 ILE 22 -18.708 18.044 1.535 171 HG22 ILE 22 HG22 ILE 22 -20.415 17.955 1.101 172 HG23 ILE 22 HG23 ILE 22 -19.233 18.521 -0.080 173 HD11 ILE 22 HD11 ILE 22 -20.006 22.633 -0.707 174 HD12 ILE 22 HD12 ILE 22 -19.646 22.718 1.018 175 HD13 ILE 22 HD13 ILE 22 -18.529 21.906 -0.078 176 H MET 23 H MET 23 -19.299 20.632 4.771 177 HA MET 23 HA MET 23 -18.547 17.897 5.483 178 HB2 MET 23 HB2 MET 23 -16.962 18.955 7.039 179 HB3 MET 23 HB3 MET 23 -16.742 19.530 5.391 180 HG2 MET 23 HG2 MET 23 -17.906 21.580 5.913 181 HG3 MET 23 HG3 MET 23 -18.254 20.997 7.539 182 HE1 MET 23 HE1 MET 23 -15.403 22.115 9.570 183 HE2 MET 23 HE2 MET 23 -17.076 22.547 9.224 184 HE3 MET 23 HE3 MET 23 -16.630 20.855 9.448 185 H GLU 24 H GLU 24 -20.982 20.025 6.158 186 HA GLU 24 HA GLU 24 -21.344 18.955 8.881 187 HB2 GLU 24 HB2 GLU 24 -22.437 20.923 9.524 188 HB3 GLU 24 HB3 GLU 24 -21.090 21.488 8.546 189 HG2 GLU 24 HG2 GLU 24 -22.722 21.540 6.602 190 HG3 GLU 24 HG3 GLU 24 -23.992 21.344 7.809 191 H LYS 25 H LYS 25 -22.773 19.442 5.740 192 HA LYS 25 HA LYS 25 -25.417 18.645 6.458 193 HB2 LYS 25 HB2 LYS 25 -23.951 19.055 3.879 194 HB3 LYS 25 HB3 LYS 25 -25.512 18.245 3.869 195 HG2 LYS 25 HG2 LYS 25 -26.275 20.318 5.257 196 HG3 LYS 25 HG3 LYS 25 -24.847 21.070 4.543 197 HD2 LYS 25 HD2 LYS 25 -25.673 20.856 2.371 198 HD3 LYS 25 HD3 LYS 25 -26.839 19.615 2.837 199 HE2 LYS 25 HE2 LYS 25 -28.230 21.421 2.633 200 HE3 LYS 25 HE3 LYS 25 -27.798 21.556 4.337 201 HZ1 LYS 25 HZ1 LYS 25 -27.437 23.679 3.607 202 HZ2 LYS 25 HZ2 LYS 25 -26.930 23.201 2.065 203 HZ3 LYS 25 HZ3 LYS 25 -25.890 23.026 3.388 204 H LEU 26 H LEU 26 -22.787 16.992 4.707 205 HA LEU 26 HA LEU 26 -24.038 14.529 4.391 206 HB2 LEU 26 HB2 LEU 26 -21.097 14.992 4.863 207 HB3 LEU 26 HB3 LEU 26 -21.832 13.600 4.069 208 HG LEU 26 HG LEU 26 -21.795 16.427 3.012 209 HD11 LEU 26 HD11 LEU 26 -19.861 15.939 2.047 210 HD12 LEU 26 HD12 LEU 26 -20.535 14.467 1.349 211 HD13 LEU 26 HD13 LEU 26 -19.819 14.431 2.961 212 HD21 LEU 26 HD21 LEU 26 -23.237 13.973 2.209 213 HD22 LEU 26 HD22 LEU 26 -22.497 14.918 0.917 214 HD23 LEU 26 HD23 LEU 26 -23.673 15.669 1.996 215 H LYS 27 H LYS 27 -22.641 15.976 7.202 216 HA LYS 27 HA LYS 27 -22.020 13.763 8.758 217 HB2 LYS 27 HB2 LYS 27 -23.241 16.377 9.671 218 HB3 LYS 27 HB3 LYS 27 -22.411 15.219 10.703 219 HG2 LYS 27 HG2 LYS 27 -20.396 15.568 9.175 220 HG3 LYS 27 HG3 LYS 27 -21.263 16.980 8.568 221 HD2 LYS 27 HD2 LYS 27 -19.963 17.885 10.258 222 HD3 LYS 27 HD3 LYS 27 -21.499 17.597 11.079 223 HE2 LYS 27 HE2 LYS 27 -20.581 15.421 11.876 224 HE3 LYS 27 HE3 LYS 27 -19.027 15.872 11.177 225 HZ1 LYS 27 HZ1 LYS 27 -18.613 16.806 13.137 226 HZ2 LYS 27 HZ2 LYS 27 -20.226 16.708 13.638 227 HZ3 LYS 27 HZ3 LYS 27 -19.708 18.020 12.703 228 H SER 28 H SER 28 -25.111 15.030 7.827 229 HA SER 28 HA SER 28 -26.584 13.571 9.834 230 HB2 SER 28 HB2 SER 28 -27.701 15.523 9.221 231 HB3 SER 28 HB3 SER 28 -27.323 15.321 7.511 232 HG SER 28 HG SER 28 -29.301 14.062 9.060 233 H GLY 29 H GLY 29 -25.485 13.056 6.583 234 HA2 GLY 29 HA2 GLY 29 -25.310 10.614 6.050 235 HA3 GLY 29 HA3 GLY 29 -27.005 10.524 6.502 236 H GLU 30 H GLU 30 -25.344 12.987 4.568 237 HA GLU 30 HA GLU 30 -27.274 12.476 2.419 238 HB2 GLU 30 HB2 GLU 30 -25.402 14.825 2.537 239 HB3 GLU 30 HB3 GLU 30 -26.938 14.685 1.692 240 HG2 GLU 30 HG2 GLU 30 -28.060 14.574 3.921 241 HG3 GLU 30 HG3 GLU 30 -26.501 14.947 4.654 242 H LYS 31 H LYS 31 -25.960 13.555 0.271 243 HA LYS 31 HA LYS 31 -23.647 11.759 -0.071 244 HB2 LYS 31 HB2 LYS 31 -25.927 11.293 -1.310 245 HB3 LYS 31 HB3 LYS 31 -25.356 12.555 -2.393 246 HG2 LYS 31 HG2 LYS 31 -23.555 11.294 -3.123 247 HG3 LYS 31 HG3 LYS 31 -23.594 10.238 -1.709 248 HD2 LYS 31 HD2 LYS 31 -25.323 8.970 -2.537 249 HD3 LYS 31 HD3 LYS 31 -25.952 10.284 -3.533 250 HE2 LYS 31 HE2 LYS 31 -24.988 8.584 -4.951 251 HE3 LYS 31 HE3 LYS 31 -24.001 10.043 -5.025 252 HZ1 LYS 31 HZ1 LYS 31 -23.242 8.066 -3.030 253 HZ2 LYS 31 HZ2 LYS 31 -22.270 9.033 -4.019 254 HZ3 LYS 31 HZ3 LYS 31 -22.984 7.632 -4.645 255 H PHE 32 H PHE 32 -21.810 12.659 -0.770 256 HA PHE 32 HA PHE 32 -21.372 15.381 -0.817 257 HB2 PHE 32 HB2 PHE 32 -19.578 13.699 -0.641 258 HB3 PHE 32 HB3 PHE 32 -19.820 13.271 -2.331 259 HD1 PHE 32 HD1 PHE 32 -19.345 14.984 -4.098 260 HD2 PHE 32 HD2 PHE 32 -18.226 15.514 -0.027 261 HE1 PHE 32 HE1 PHE 32 -17.737 16.721 -4.770 262 HE2 PHE 32 HE2 PHE 32 -16.617 17.252 -0.691 263 HZ PHE 32 HZ PHE 32 -16.371 17.858 -3.066 264 H GLY 33 H GLY 33 -21.754 13.232 -3.639 265 HA2 GLY 33 HA2 GLY 33 -21.557 15.132 -5.644 266 HA3 GLY 33 HA3 GLY 33 -22.513 13.662 -5.763 267 H LYS 34 H LYS 34 -24.360 14.286 -3.676 268 HA LYS 34 HA LYS 34 -26.354 15.592 -5.087 269 HB2 LYS 34 HB2 LYS 34 -26.552 14.134 -2.993 270 HB3 LYS 34 HB3 LYS 34 -26.202 15.595 -2.077 271 HG2 LYS 34 HG2 LYS 34 -28.182 16.653 -2.846 272 HG3 LYS 34 HG3 LYS 34 -28.473 15.383 -4.036 273 HD2 LYS 34 HD2 LYS 34 -28.920 13.782 -2.303 274 HD3 LYS 34 HD3 LYS 34 -28.440 14.933 -1.053 275 HE2 LYS 34 HE2 LYS 34 -30.728 15.122 -0.969 276 HE3 LYS 34 HE3 LYS 34 -30.329 16.405 -2.110 277 HZ1 LYS 34 HZ1 LYS 34 -31.872 15.395 -3.362 278 HZ2 LYS 34 HZ2 LYS 34 -31.748 13.919 -2.546 279 HZ3 LYS 34 HZ3 LYS 34 -30.627 14.317 -3.749 280 H LEU 35 H LEU 35 -23.799 16.906 -3.136 281 HA LEU 35 HA LEU 35 -24.996 19.577 -3.226 282 HB2 LEU 35 HB2 LEU 35 -22.386 18.932 -1.917 283 HB3 LEU 35 HB3 LEU 35 -23.537 20.210 -1.532 284 HG LEU 35 HG LEU 35 -23.895 17.271 -0.951 285 HD11 LEU 35 HD11 LEU 35 -22.350 17.976 0.613 286 HD12 LEU 35 HD12 LEU 35 -23.878 18.276 1.441 287 HD13 LEU 35 HD13 LEU 35 -23.010 19.611 0.684 288 HD21 LEU 35 HD21 LEU 35 -26.056 18.059 -1.263 289 HD22 LEU 35 HD22 LEU 35 -25.674 19.657 -0.620 290 HD23 LEU 35 HD23 LEU 35 -25.805 18.275 0.470 291 H ALA 36 H ALA 36 -22.561 17.647 -4.697 292 HA ALA 36 HA ALA 36 -20.986 19.838 -5.694 293 HB1 ALA 36 HB1 ALA 36 -19.676 18.206 -6.801 294 HB2 ALA 36 HB2 ALA 36 -20.120 17.513 -5.242 295 HB3 ALA 36 HB3 ALA 36 -20.964 17.004 -6.705 296 H LYS 37 H LYS 37 -23.838 18.190 -6.665 297 HA LYS 37 HA LYS 37 -23.627 18.929 -9.456 298 HB2 LYS 37 HB2 LYS 37 -25.890 17.951 -9.640 299 HB3 LYS 37 HB3 LYS 37 -24.739 16.847 -8.899 300 HG2 LYS 37 HG2 LYS 37 -25.786 16.878 -6.893 301 HG3 LYS 37 HG3 LYS 37 -26.319 18.551 -7.070 302 HD2 LYS 37 HD2 LYS 37 -28.308 17.376 -7.239 303 HD3 LYS 37 HD3 LYS 37 -27.857 17.594 -8.932 304 HE2 LYS 37 HE2 LYS 37 -26.958 15.151 -7.469 305 HE3 LYS 37 HE3 LYS 37 -28.621 15.251 -8.048 306 HZ1 LYS 37 HZ1 LYS 37 -27.172 14.183 -9.662 307 HZ2 LYS 37 HZ2 LYS 37 -26.192 15.560 -9.729 308 HZ3 LYS 37 HZ3 LYS 37 -27.789 15.632 -10.280 309 H GLU 38 H GLU 38 -24.171 20.680 -6.786 310 HA GLU 38 HA GLU 38 -25.838 22.604 -8.246 311 HB2 GLU 38 HB2 GLU 38 -26.201 21.871 -5.335 312 HB3 GLU 38 HB3 GLU 38 -27.064 23.145 -6.184 313 HG2 GLU 38 HG2 GLU 38 -27.212 20.433 -7.347 314 HG3 GLU 38 HG3 GLU 38 -28.059 20.702 -5.824 315 H LEU 39 H LEU 39 -24.051 22.257 -5.174 316 HA LEU 39 HA LEU 39 -23.365 24.938 -4.877 317 HB2 LEU 39 HB2 LEU 39 -21.754 22.544 -4.005 318 HB3 LEU 39 HB3 LEU 39 -21.636 24.177 -3.353 319 HG LEU 39 HG LEU 39 -23.943 22.259 -3.051 320 HD11 LEU 39 HD11 LEU 39 -21.930 23.404 -1.126 321 HD12 LEU 39 HD12 LEU 39 -22.151 21.713 -1.576 322 HD13 LEU 39 HD13 LEU 39 -23.390 22.542 -0.635 323 HD21 LEU 39 HD21 LEU 39 -24.818 24.495 -3.344 324 HD22 LEU 39 HD22 LEU 39 -23.680 25.127 -2.153 325 HD23 LEU 39 HD23 LEU 39 -24.956 24.017 -1.652 326 H SER 40 H SER 40 -21.454 22.300 -6.318 327 HA SER 40 HA SER 40 -19.179 23.696 -6.994 328 HB2 SER 40 HB2 SER 40 -19.777 21.184 -7.313 329 HB3 SER 40 HB3 SER 40 -20.345 21.691 -8.905 330 HG SER 40 HG SER 40 -17.784 21.435 -7.948 331 H ILE 41 H ILE 41 -19.233 25.681 -7.865 332 HA ILE 41 HA ILE 41 -21.142 26.446 -9.865 333 HB ILE 41 HB ILE 41 -19.823 28.561 -9.974 334 HG12 ILE 41 HG12 ILE 41 -18.275 27.829 -7.566 335 HG13 ILE 41 HG13 ILE 41 -17.740 27.074 -9.063 336 HG21 ILE 41 HG21 ILE 41 -21.611 28.642 -8.492 337 HG22 ILE 41 HG22 ILE 41 -20.867 27.494 -7.379 338 HG23 ILE 41 HG23 ILE 41 -20.243 29.139 -7.497 339 HD11 ILE 41 HD11 ILE 41 -16.544 28.924 -9.358 340 HD12 ILE 41 HD12 ILE 41 -18.071 29.689 -9.799 341 HD13 ILE 41 HD13 ILE 41 -17.465 29.818 -8.148 342 H ASP 42 H ASP 42 -17.998 25.053 -9.876 343 HA ASP 42 HA ASP 42 -17.054 25.933 -12.371 344 HB2 ASP 42 HB2 ASP 42 -15.553 24.848 -10.829 345 HB3 ASP 42 HB3 ASP 42 -16.523 23.378 -10.846 346 H SER 43 H SER 43 -18.045 25.705 -14.257 347 HA SER 43 HA SER 43 -20.182 24.064 -14.841 348 HB2 SER 43 HB2 SER 43 -19.257 24.329 -17.297 349 HB3 SER 43 HB3 SER 43 -19.874 25.728 -16.419 350 HG SER 43 HG SER 43 -17.310 25.138 -17.227 351 H GLY 44 H GLY 44 -16.735 23.387 -15.136 352 HA2 GLY 44 HA2 GLY 44 -17.277 20.750 -16.265 353 HA3 GLY 44 HA3 GLY 44 -15.694 21.477 -16.032 354 H SER 45 H SER 45 -18.344 20.971 -13.723 355 HA SER 45 HA SER 45 -16.926 18.850 -12.379 356 HB2 SER 45 HB2 SER 45 -15.743 20.786 -11.473 357 HB3 SER 45 HB3 SER 45 -17.273 21.534 -11.019 358 HG SER 45 HG SER 45 -16.283 20.466 -9.254 359 H ALA 46 H ALA 46 -19.543 21.226 -12.259 360 HA ALA 46 HA ALA 46 -21.174 19.838 -10.419 361 HB1 ALA 46 HB1 ALA 46 -22.553 21.584 -10.641 362 HB2 ALA 46 HB2 ALA 46 -21.270 22.287 -11.626 363 HB3 ALA 46 HB3 ALA 46 -22.609 21.438 -12.398 364 H LYS 47 H LYS 47 -20.379 19.175 -13.643 365 HA LYS 47 HA LYS 47 -22.840 17.756 -14.249 366 HB2 LYS 47 HB2 LYS 47 -21.440 19.067 -15.942 367 HB3 LYS 47 HB3 LYS 47 -20.304 17.726 -15.876 368 HG2 LYS 47 HG2 LYS 47 -22.180 16.211 -16.534 369 HG3 LYS 47 HG3 LYS 47 -23.169 17.651 -16.789 370 HD2 LYS 47 HD2 LYS 47 -20.496 17.405 -18.114 371 HD3 LYS 47 HD3 LYS 47 -21.904 16.586 -18.797 372 HE2 LYS 47 HE2 LYS 47 -21.851 18.645 -19.898 373 HE3 LYS 47 HE3 LYS 47 -23.068 18.862 -18.640 374 HZ1 LYS 47 HZ1 LYS 47 -20.909 20.470 -19.090 375 HZ2 LYS 47 HZ2 LYS 47 -20.446 19.558 -17.742 376 HZ3 LYS 47 HZ3 LYS 47 -21.874 20.464 -17.699 377 H LYS 48 H LYS 48 -19.763 17.113 -12.881 378 HA LYS 48 HA LYS 48 -20.254 14.215 -13.093 379 HB2 LYS 48 HB2 LYS 48 -17.728 14.087 -12.566 380 HB3 LYS 48 HB3 LYS 48 -18.224 14.535 -14.193 381 HG2 LYS 48 HG2 LYS 48 -17.790 16.736 -12.262 382 HG3 LYS 48 HG3 LYS 48 -16.366 15.866 -12.838 383 HD2 LYS 48 HD2 LYS 48 -18.390 16.762 -14.831 384 HD3 LYS 48 HD3 LYS 48 -17.311 17.968 -14.127 385 HE2 LYS 48 HE2 LYS 48 -15.382 16.809 -14.911 386 HE3 LYS 48 HE3 LYS 48 -16.341 15.408 -15.384 387 HZ1 LYS 48 HZ1 LYS 48 -17.001 17.985 -16.599 388 HZ2 LYS 48 HZ2 LYS 48 -17.083 16.429 -17.256 389 HZ3 LYS 48 HZ3 LYS 48 -15.590 17.212 -17.121 390 H ASN 49 H ASN 49 -21.228 16.212 -11.096 391 HA ASN 49 HA ASN 49 -21.494 16.429 -8.845 392 HB2 ASN 49 HB2 ASN 49 -20.719 13.515 -9.032 393 HB3 ASN 49 HB3 ASN 49 -21.288 14.269 -7.547 394 HD21 ASN 49 HD21 ASN 49 -23.421 15.275 -7.617 395 HD22 ASN 49 HD22 ASN 49 -24.638 14.572 -8.621 396 H GLY 50 H GLY 50 -18.869 17.073 -9.966 397 HA2 GLY 50 HA2 GLY 50 -16.804 17.731 -9.211 398 HA3 GLY 50 HA3 GLY 50 -17.475 17.604 -7.591 399 H ASN 51 H ASN 51 -17.605 14.743 -9.456 400 HA ASN 51 HA ASN 51 -15.578 13.539 -7.737 401 HB2 ASN 51 HB2 ASN 51 -17.970 12.592 -8.301 402 HB3 ASN 51 HB3 ASN 51 -17.162 11.979 -9.742 403 HD21 ASN 51 HD21 ASN 51 -14.925 10.968 -9.143 404 HD22 ASN 51 HD22 ASN 51 -14.985 9.824 -7.849 405 H LEU 52 H LEU 52 -13.768 14.551 -8.789 406 HA LEU 52 HA LEU 52 -13.186 14.177 -11.534 407 HB2 LEU 52 HB2 LEU 52 -10.879 14.828 -10.888 408 HB3 LEU 52 HB3 LEU 52 -12.125 15.954 -10.353 409 HG LEU 52 HG LEU 52 -11.939 14.577 -8.114 410 HD11 LEU 52 HD11 LEU 52 -9.927 13.373 -9.639 411 HD12 LEU 52 HD12 LEU 52 -10.234 13.175 -7.914 412 HD13 LEU 52 HD13 LEU 52 -9.096 14.402 -8.473 413 HD21 LEU 52 HD21 LEU 52 -11.124 17.032 -8.953 414 HD22 LEU 52 HD22 LEU 52 -9.603 16.327 -8.404 415 HD23 LEU 52 HD23 LEU 52 -10.977 16.433 -7.301 416 H GLY 53 H GLY 53 -13.090 12.058 -8.890 417 HA2 GLY 53 HA2 GLY 53 -12.616 9.785 -8.910 418 HA3 GLY 53 HA3 GLY 53 -11.979 9.964 -10.538 419 H TYR 54 H TYR 54 -9.964 9.222 -10.552 420 HA TYR 54 HA TYR 54 -8.260 9.560 -8.217 421 HB2 TYR 54 HB2 TYR 54 -8.296 7.809 -10.587 422 HB3 TYR 54 HB3 TYR 54 -6.692 8.313 -10.069 423 HD1 TYR 54 HD1 TYR 54 -9.689 7.598 -7.981 424 HD2 TYR 54 HD2 TYR 54 -5.776 6.381 -9.128 425 HE1 TYR 54 HE1 TYR 54 -9.718 5.872 -6.228 426 HE2 TYR 54 HE2 TYR 54 -5.794 4.652 -7.379 427 HH TYR 54 HH TYR 54 -8.090 3.364 -6.090 428 H PHE 55 H PHE 55 -6.461 10.817 -8.118 429 HA PHE 55 HA PHE 55 -5.591 12.252 -10.510 430 HB2 PHE 55 HB2 PHE 55 -5.922 14.385 -9.677 431 HB3 PHE 55 HB3 PHE 55 -7.338 13.553 -9.041 432 HD1 PHE 55 HD2 PHE 55 -6.430 12.159 -6.730 433 HD2 PHE 55 HD1 PHE 55 -5.226 15.974 -8.180 434 HE1 PHE 55 HE2 PHE 55 -5.795 12.822 -4.447 435 HE2 PHE 55 HE1 PHE 55 -4.587 16.643 -5.900 436 HZ PHE 55 HZ PHE 55 -4.870 15.066 -4.030 437 H THR 56 H THR 56 -3.647 13.760 -9.771 438 HA THR 56 HA THR 56 -2.015 12.474 -7.727 439 HB THR 56 HB THR 56 -0.144 12.032 -9.141 440 HG1 THR 56 HG1 THR 56 -0.295 13.743 -10.600 441 HG21 THR 56 HG21 THR 56 -1.798 10.260 -9.137 442 HG22 THR 56 HG22 THR 56 -1.066 10.380 -10.738 443 HG23 THR 56 HG23 THR 56 -2.676 11.040 -10.452 444 H LYS 57 H LYS 57 0.133 13.657 -7.503 445 HA LYS 57 HA LYS 57 -0.389 16.414 -7.111 446 HB2 LYS 57 HB2 LYS 57 2.289 15.012 -7.093 447 HB3 LYS 57 HB3 LYS 57 1.912 16.560 -6.349 448 HG2 LYS 57 HG2 LYS 57 0.844 15.610 -4.579 449 HG3 LYS 57 HG3 LYS 57 0.324 14.200 -5.506 450 HD2 LYS 57 HD2 LYS 57 2.004 13.587 -3.845 451 HD3 LYS 57 HD3 LYS 57 2.615 13.339 -5.483 452 HE2 LYS 57 HE2 LYS 57 3.151 15.993 -4.337 453 HE3 LYS 57 HE3 LYS 57 3.950 14.654 -3.517 454 HZ1 LYS 57 HZ1 LYS 57 4.801 15.897 -5.797 455 HZ2 LYS 57 HZ2 LYS 57 4.151 14.439 -6.354 456 HZ3 LYS 57 HZ3 LYS 57 5.375 14.427 -5.187 457 H GLY 58 H GLY 58 -0.707 17.684 -8.848 458 HA2 GLY 58 HA2 GLY 58 0.776 19.084 -10.330 459 HA3 GLY 58 HA3 GLY 58 1.298 17.552 -11.014 460 H MET 59 H MET 59 -1.916 17.281 -10.251 461 HA MET 59 HA MET 59 -2.681 17.874 -13.027 462 HB2 MET 59 HB2 MET 59 -3.986 16.030 -11.018 463 HB3 MET 59 HB3 MET 59 -4.536 16.290 -12.668 464 HG2 MET 59 HG2 MET 59 -1.753 15.344 -12.142 465 HG3 MET 59 HG3 MET 59 -3.105 14.213 -12.103 466 HE1 MET 59 HE1 MET 59 -4.311 13.537 -15.222 467 HE2 MET 59 HE2 MET 59 -4.880 14.277 -13.725 468 HE3 MET 59 HE3 MET 59 -4.883 15.206 -15.225 469 H MET 60 H MET 60 -2.791 19.306 -10.124 470 HA MET 60 HA MET 60 -5.263 20.734 -10.792 471 HB2 MET 60 HB2 MET 60 -4.544 19.888 -7.981 472 HB3 MET 60 HB3 MET 60 -5.988 20.758 -8.483 473 HG2 MET 60 HG2 MET 60 -5.393 18.059 -9.611 474 HG3 MET 60 HG3 MET 60 -6.113 18.219 -8.011 475 HE1 MET 60 HE1 MET 60 -8.912 17.076 -10.539 476 HE2 MET 60 HE2 MET 60 -7.414 17.269 -11.450 477 HE3 MET 60 HE3 MET 60 -7.383 16.534 -9.846 478 H VAL 61 H VAL 61 -5.314 22.554 -8.764 479 HA VAL 61 HA VAL 61 -2.949 24.153 -9.373 480 HB VAL 61 HB VAL 61 -4.173 26.052 -8.543 481 HG11 VAL 61 HG11 VAL 61 -5.402 26.237 -10.401 482 HG12 VAL 61 HG12 VAL 61 -4.882 24.589 -10.758 483 HG13 VAL 61 HG13 VAL 61 -6.431 24.875 -9.961 484 HG21 VAL 61 HG21 VAL 61 -5.245 24.970 -6.628 485 HG22 VAL 61 HG22 VAL 61 -6.419 25.856 -7.601 486 HG23 VAL 61 HG23 VAL 61 -6.322 24.099 -7.720 487 H LYS 62 H LYS 62 -2.049 25.524 -7.600 488 HA LYS 62 HA LYS 62 -0.964 23.985 -5.567 489 HB2 LYS 62 HB2 LYS 62 0.263 25.886 -5.866 490 HB3 LYS 62 HB3 LYS 62 -1.155 26.890 -6.135 491 HG2 LYS 62 HG2 LYS 62 -1.560 27.119 -3.829 492 HG3 LYS 62 HG3 LYS 62 -0.447 25.810 -3.426 493 HD2 LYS 62 HD2 LYS 62 1.422 27.186 -4.276 494 HD3 LYS 62 HD3 LYS 62 0.286 28.503 -4.575 495 HE2 LYS 62 HE2 LYS 62 0.238 27.357 -1.860 496 HE3 LYS 62 HE3 LYS 62 1.712 28.219 -2.298 497 HZ1 LYS 62 HZ1 LYS 62 0.676 30.155 -2.107 498 HZ2 LYS 62 HZ2 LYS 62 -0.636 29.334 -1.427 499 HZ3 LYS 62 HZ3 LYS 62 -0.613 29.660 -3.086 500 HA PRO 63 HA PRO 63 -4.160 25.875 -2.479 501 HB2 PRO 63 HB2 PRO 63 -6.241 27.268 -3.530 502 HB3 PRO 63 HB3 PRO 63 -4.706 28.023 -3.084 503 HG2 PRO 63 HG2 PRO 63 -5.677 27.157 -5.780 504 HG3 PRO 63 HG3 PRO 63 -4.829 28.644 -5.322 505 HD2 PRO 63 HD2 PRO 63 -3.568 26.545 -6.478 506 HD3 PRO 63 HD3 PRO 63 -2.767 27.614 -5.309 507 H PHE 64 H PHE 64 -4.218 23.436 -3.865 508 HA PHE 64 HA PHE 64 -6.830 22.519 -3.200 509 HB2 PHE 64 HB2 PHE 64 -7.408 23.458 -5.366 510 HB3 PHE 64 HB3 PHE 64 -6.078 22.590 -6.128 511 HD1 PHE 64 HD2 PHE 64 -6.173 20.123 -6.331 512 HD2 PHE 64 HD1 PHE 64 -9.485 22.410 -4.946 513 HE1 PHE 64 HE2 PHE 64 -7.667 18.220 -6.774 514 HE2 PHE 64 HE1 PHE 64 -10.985 20.509 -5.385 515 HZ PHE 64 HZ PHE 64 -10.077 18.412 -6.302 516 H GLU 65 H GLU 65 -4.189 21.638 -5.435 517 HA GLU 65 HA GLU 65 -4.239 18.907 -5.066 518 HB2 GLU 65 HB2 GLU 65 -2.847 20.178 -6.728 519 HB3 GLU 65 HB3 GLU 65 -1.726 20.543 -5.423 520 HG2 GLU 65 HG2 GLU 65 -2.013 17.808 -5.269 521 HG3 GLU 65 HG3 GLU 65 -2.028 18.128 -7.002 522 H ASP 66 H ASP 66 -2.422 21.322 -3.203 523 HA ASP 66 HA ASP 66 -1.025 19.649 -1.507 524 HB2 ASP 66 HB2 ASP 66 -0.633 22.040 -1.530 525 HB3 ASP 66 HB3 ASP 66 -2.254 22.348 -0.915 526 H ALA 67 H ALA 67 -4.312 20.931 -1.099 527 HA ALA 67 HA ALA 67 -4.705 19.087 1.154 528 HB1 ALA 67 HB1 ALA 67 -5.189 21.420 1.641 529 HB2 ALA 67 HB2 ALA 67 -6.342 21.474 0.308 530 HB3 ALA 67 HB3 ALA 67 -6.663 20.453 1.710 531 H ALA 68 H ALA 68 -4.656 17.985 -1.418 532 HA ALA 68 HA ALA 68 -7.495 17.334 -1.871 533 HB1 ALA 68 HB1 ALA 68 -6.656 18.371 -3.830 534 HB2 ALA 68 HB2 ALA 68 -5.188 17.394 -3.801 535 HB3 ALA 68 HB3 ALA 68 -6.740 16.642 -4.170 536 H PHE 69 H PHE 69 -4.312 16.107 -1.233 537 HA PHE 69 HA PHE 69 -5.428 13.385 -1.103 538 HB2 PHE 69 HB2 PHE 69 -3.162 12.539 -1.688 539 HB3 PHE 69 HB3 PHE 69 -3.900 13.482 -2.979 540 HD1 PHE 69 HD2 PHE 69 -1.276 13.413 -0.427 541 HD2 PHE 69 HD1 PHE 69 -2.995 15.605 -3.645 542 HE1 PHE 69 HE2 PHE 69 0.713 14.860 -0.500 543 HE2 PHE 69 HE1 PHE 69 -1.009 17.054 -3.724 544 HZ PHE 69 HZ PHE 69 0.850 16.682 -2.151 545 H LYS 70 H LYS 70 -4.257 15.910 0.641 546 HA LYS 70 HA LYS 70 -2.669 14.460 2.558 547 HB2 LYS 70 HB2 LYS 70 -2.217 16.494 3.517 548 HB3 LYS 70 HB3 LYS 70 -2.637 17.018 1.892 549 HG2 LYS 70 HG2 LYS 70 -4.968 17.409 2.718 550 HG3 LYS 70 HG3 LYS 70 -4.368 17.102 4.350 551 HD2 LYS 70 HD2 LYS 70 -3.248 19.209 2.507 552 HD3 LYS 70 HD3 LYS 70 -4.485 19.520 3.728 553 HE2 LYS 70 HE2 LYS 70 -2.020 18.132 4.612 554 HE3 LYS 70 HE3 LYS 70 -1.874 19.838 4.194 555 HZ1 LYS 70 HZ1 LYS 70 -3.584 20.368 5.784 556 HZ2 LYS 70 HZ2 LYS 70 -2.365 19.484 6.554 557 HZ3 LYS 70 HZ3 LYS 70 -3.823 18.732 6.144 558 H LEU 71 H LEU 71 -5.952 14.751 1.971 559 HA LEU 71 HA LEU 71 -6.870 14.711 4.694 560 HB2 LEU 71 HB2 LEU 71 -8.483 13.839 2.325 561 HB3 LEU 71 HB3 LEU 71 -9.035 14.581 3.825 562 HG LEU 71 HG LEU 71 -7.388 16.054 1.779 563 HD11 LEU 71 HD11 LEU 71 -10.273 16.606 1.988 564 HD12 LEU 71 HD12 LEU 71 -9.834 15.091 1.200 565 HD13 LEU 71 HD13 LEU 71 -9.209 16.620 0.582 566 HD21 LEU 71 HD21 LEU 71 -7.750 16.733 4.307 567 HD22 LEU 71 HD22 LEU 71 -9.288 17.324 3.680 568 HD23 LEU 71 HD23 LEU 71 -7.772 17.934 3.015 569 H GLN 72 H GLN 72 -8.533 12.849 5.202 570 HA GLN 72 HA GLN 72 -7.014 10.357 4.960 571 HB2 GLN 72 HB2 GLN 72 -9.166 11.252 6.873 572 HB3 GLN 72 HB3 GLN 72 -8.574 9.597 6.811 573 HG2 GLN 72 HG2 GLN 72 -6.314 10.402 7.322 574 HG3 GLN 72 HG3 GLN 72 -6.939 12.047 7.430 575 HE21 GLN 72 HE21 GLN 72 -6.781 8.930 8.938 576 HE22 GLN 72 HE22 GLN 72 -7.421 9.409 10.471 577 H VAL 73 H VAL 73 -8.633 8.362 5.170 578 HA VAL 73 HA VAL 73 -9.964 8.191 2.685 579 HB VAL 73 HB VAL 73 -9.083 6.182 3.611 580 HG11 VAL 73 HG11 VAL 73 -10.659 5.459 5.767 581 HG12 VAL 73 HG12 VAL 73 -8.988 6.020 5.833 582 HG13 VAL 73 HG13 VAL 73 -10.314 7.164 6.048 583 HG21 VAL 73 HG21 VAL 73 -11.657 6.390 2.661 584 HG22 VAL 73 HG22 VAL 73 -10.745 4.892 2.853 585 HG23 VAL 73 HG23 VAL 73 -11.848 5.421 4.122 586 H GLY 74 H GLY 74 -11.546 9.778 2.534 587 HA2 GLY 74 HA2 GLY 74 -13.881 10.138 2.517 588 HA3 GLY 74 HA3 GLY 74 -14.021 9.135 3.953 589 H GLU 75 H GLU 75 -11.595 11.609 3.822 590 HA GLU 75 HA GLU 75 -13.083 13.100 5.868 591 HB2 GLU 75 HB2 GLU 75 -10.387 12.252 5.684 592 HB3 GLU 75 HB3 GLU 75 -10.378 14.006 5.571 593 HG2 GLU 75 HG2 GLU 75 -11.928 13.909 7.636 594 HG3 GLU 75 HG3 GLU 75 -11.316 12.265 7.808 595 H VAL 76 H VAL 76 -13.947 14.997 5.370 596 HA VAL 76 HA VAL 76 -13.519 16.179 2.787 597 HB VAL 76 HB VAL 76 -15.127 17.196 5.135 598 HG11 VAL 76 HG11 VAL 76 -16.269 18.581 3.422 599 HG12 VAL 76 HG12 VAL 76 -14.575 19.015 3.659 600 HG13 VAL 76 HG13 VAL 76 -15.055 18.069 2.250 601 HG21 VAL 76 HG21 VAL 76 -15.599 14.965 3.596 602 HG22 VAL 76 HG22 VAL 76 -16.810 15.863 4.512 603 HG23 VAL 76 HG23 VAL 76 -16.564 16.210 2.801 604 H SER 77 H SER 77 -12.358 17.951 2.261 605 HA SER 77 HA SER 77 -10.410 18.895 4.159 606 HB2 SER 77 HB2 SER 77 -10.275 18.546 1.508 607 HB3 SER 77 HB3 SER 77 -10.739 20.247 1.528 608 HG SER 77 HG SER 77 -8.711 20.608 1.905 609 H GLU 78 H GLU 78 -10.066 21.537 3.471 610 HA GLU 78 HA GLU 78 -12.461 22.758 4.665 611 HB2 GLU 78 HB2 GLU 78 -10.663 24.674 5.030 612 HB3 GLU 78 HB3 GLU 78 -10.805 23.318 6.139 613 HG2 GLU 78 HG2 GLU 78 -8.970 22.186 5.000 614 HG3 GLU 78 HG3 GLU 78 -8.829 23.540 3.880 615 HA PRO 79 HA PRO 79 -13.255 25.293 1.175 616 HB2 PRO 79 HB2 PRO 79 -13.863 27.691 2.292 617 HB3 PRO 79 HB3 PRO 79 -14.935 26.289 2.387 618 HG2 PRO 79 HG2 PRO 79 -13.015 27.347 4.425 619 HG3 PRO 79 HG3 PRO 79 -14.669 26.750 4.651 620 HD2 PRO 79 HD2 PRO 79 -12.489 25.242 5.200 621 HD3 PRO 79 HD3 PRO 79 -14.010 24.541 4.615 622 H ILE 80 H ILE 80 -11.013 25.207 0.428 623 HA ILE 80 HA ILE 80 -9.174 27.277 1.159 624 HB ILE 80 HB ILE 80 -9.025 25.548 -1.305 625 HG12 ILE 80 HG12 ILE 80 -9.385 24.146 0.699 626 HG13 ILE 80 HG13 ILE 80 -7.774 23.929 0.023 627 HG21 ILE 80 HG21 ILE 80 -6.513 25.834 -0.641 628 HG22 ILE 80 HG22 ILE 80 -7.355 27.112 -1.516 629 HG23 ILE 80 HG23 ILE 80 -7.113 27.249 0.225 630 HD11 ILE 80 HD11 ILE 80 -6.920 25.508 1.746 631 HD12 ILE 80 HD12 ILE 80 -8.528 25.498 2.471 632 HD13 ILE 80 HD13 ILE 80 -7.587 24.009 2.391 633 H LYS 81 H LYS 81 -9.464 29.326 0.594 634 HA LYS 81 HA LYS 81 -11.101 30.112 -1.613 635 HB2 LYS 81 HB2 LYS 81 -10.915 31.460 0.444 636 HB3 LYS 81 HB3 LYS 81 -9.219 31.761 0.087 637 HG2 LYS 81 HG2 LYS 81 -9.829 33.567 -1.032 638 HG3 LYS 81 HG3 LYS 81 -10.632 32.525 -2.209 639 HD2 LYS 81 HD2 LYS 81 -12.351 33.925 -1.548 640 HD3 LYS 81 HD3 LYS 81 -12.584 32.533 -0.490 641 HE2 LYS 81 HE2 LYS 81 -11.687 33.646 1.361 642 HE3 LYS 81 HE3 LYS 81 -10.916 34.876 0.362 643 HZ1 LYS 81 HZ1 LYS 81 -13.751 34.622 1.123 644 HZ2 LYS 81 HZ2 LYS 81 -13.324 35.465 -0.279 645 HZ3 LYS 81 HZ3 LYS 81 -12.737 35.972 1.224 646 H SER 82 H SER 82 -10.483 30.022 -3.662 647 HA SER 82 HA SER 82 -7.733 30.809 -4.341 648 HB2 SER 82 HB2 SER 82 -8.050 28.296 -4.389 649 HB3 SER 82 HB3 SER 82 -9.187 28.543 -5.714 650 HG SER 82 HG SER 82 -7.480 28.526 -6.930 651 H GLU 83 H GLU 83 -7.778 30.730 -7.016 652 HA GLU 83 HA GLU 83 -9.171 33.040 -7.745 653 HB2 GLU 83 HB2 GLU 83 -8.508 32.515 -10.044 654 HB3 GLU 83 HB3 GLU 83 -7.173 32.270 -8.926 655 HG2 GLU 83 HG2 GLU 83 -7.741 29.834 -8.919 656 HG3 GLU 83 HG3 GLU 83 -8.890 30.166 -10.215 657 H PHE 84 H PHE 84 -10.149 29.727 -7.692 658 HA PHE 84 HA PHE 84 -12.501 30.268 -9.342 659 HB2 PHE 84 HB2 PHE 84 -11.709 27.647 -8.067 660 HB3 PHE 84 HB3 PHE 84 -12.860 27.898 -9.376 661 HD1 PHE 84 HD1 PHE 84 -11.652 29.393 -11.368 662 HD2 PHE 84 HD2 PHE 84 -9.782 26.622 -8.735 663 HE1 PHE 84 HE1 PHE 84 -9.857 29.047 -13.015 664 HE2 PHE 84 HE2 PHE 84 -7.983 26.271 -10.377 665 HZ PHE 84 HZ PHE 84 -8.018 27.486 -12.519 666 H GLY 85 H GLY 85 -11.548 30.018 -6.058 667 HA2 GLY 85 HA2 GLY 85 -13.258 31.060 -4.544 668 HA3 GLY 85 HA3 GLY 85 -14.383 29.898 -5.233 669 H TYR 86 H TYR 86 -14.840 29.022 -3.192 670 HA TYR 86 HA TYR 86 -12.727 27.917 -1.577 671 HB2 TYR 86 HB2 TYR 86 -15.737 27.754 -1.369 672 HB3 TYR 86 HB3 TYR 86 -14.636 27.028 -0.203 673 HD1 TYR 86 HD2 TYR 86 -12.679 28.873 0.478 674 HD2 TYR 86 HD1 TYR 86 -16.702 29.703 -0.629 675 HE1 TYR 86 HE2 TYR 86 -12.570 31.000 1.706 676 HE2 TYR 86 HE1 TYR 86 -16.604 31.835 0.595 677 HH TYR 86 HH TYR 86 -15.336 32.858 2.410 678 H HIS 87 H HIS 87 -11.805 26.014 -1.903 679 HA HIS 87 HA HIS 87 -13.153 24.045 -3.602 680 HB2 HIS 87 HB2 HIS 87 -10.278 24.363 -2.743 681 HB3 HIS 87 HB3 HIS 87 -10.867 22.944 -3.604 682 HD1 HIS 87 HD1 HIS 87 -11.276 23.171 -6.105 683 HD2 HIS 87 HD2 HIS 87 -10.214 26.749 -4.281 684 HE1 HIS 87 HE1 HIS 87 -10.811 24.773 -7.987 685 H ILE 88 H ILE 88 -14.022 22.259 -2.782 686 HA ILE 88 HA ILE 88 -13.273 21.478 -0.040 687 HB ILE 88 HB ILE 88 -15.950 21.152 -1.399 688 HG12 ILE 88 HG12 ILE 88 -15.526 23.451 -0.688 689 HG13 ILE 88 HG13 ILE 88 -16.747 22.709 0.340 690 HG21 ILE 88 HG21 ILE 88 -16.317 20.618 1.261 691 HG22 ILE 88 HG22 ILE 88 -16.171 19.411 -0.015 692 HG23 ILE 88 HG23 ILE 88 -14.755 19.868 0.931 693 HD11 ILE 88 HD11 ILE 88 -15.403 23.832 1.841 694 HD12 ILE 88 HD12 ILE 88 -14.770 22.187 1.910 695 HD13 ILE 88 HD13 ILE 88 -13.920 23.422 0.980 696 H ILE 89 H ILE 89 -11.672 20.030 -0.724 697 HA ILE 89 HA ILE 89 -12.338 17.900 -2.562 698 HB ILE 89 HB ILE 89 -9.862 18.081 -0.855 699 HG12 ILE 89 HG12 ILE 89 -9.112 19.002 -3.321 700 HG13 ILE 89 HG13 ILE 89 -10.711 19.718 -3.149 701 HG21 ILE 89 HG21 ILE 89 -9.513 17.040 -3.506 702 HG22 ILE 89 HG22 ILE 89 -9.200 16.269 -1.952 703 HG23 ILE 89 HG23 ILE 89 -10.804 16.171 -2.677 704 HD11 ILE 89 HD11 ILE 89 -9.619 21.358 -2.103 705 HD12 ILE 89 HD12 ILE 89 -9.612 20.256 -0.725 706 HD13 ILE 89 HD13 ILE 89 -8.207 20.350 -1.787 707 H LYS 90 H LYS 90 -12.842 15.832 -2.073 708 HA LYS 90 HA LYS 90 -12.689 14.959 0.720 709 HB2 LYS 90 HB2 LYS 90 -14.967 15.786 0.399 710 HB3 LYS 90 HB3 LYS 90 -15.158 14.758 -1.015 711 HG2 LYS 90 HG2 LYS 90 -14.681 12.809 0.584 712 HG3 LYS 90 HG3 LYS 90 -15.005 13.973 1.871 713 HD2 LYS 90 HD2 LYS 90 -17.226 14.280 1.187 714 HD3 LYS 90 HD3 LYS 90 -16.928 13.564 -0.400 715 HE2 LYS 90 HE2 LYS 90 -16.536 11.385 0.712 716 HE3 LYS 90 HE3 LYS 90 -16.962 12.127 2.253 717 HZ1 LYS 90 HZ1 LYS 90 -19.150 12.675 1.268 718 HZ2 LYS 90 HZ2 LYS 90 -18.868 11.012 1.389 719 HZ3 LYS 90 HZ3 LYS 90 -18.728 11.786 -0.108 720 H ARG 91 H ARG 91 -11.619 13.106 0.795 721 HA ARG 91 HA ARG 91 -11.040 11.572 -1.523 722 HB2 ARG 91 HB2 ARG 91 -9.425 11.611 0.238 723 HB3 ARG 91 HB3 ARG 91 -10.607 11.060 1.418 724 HG2 ARG 91 HG2 ARG 91 -10.589 8.878 0.598 725 HG3 ARG 91 HG3 ARG 91 -9.852 9.362 -0.931 726 HD2 ARG 91 HD2 ARG 91 -7.746 9.604 0.016 727 HD3 ARG 91 HD3 ARG 91 -8.391 9.769 1.648 728 HE ARG 91 HE ARG 91 -8.982 7.205 0.626 729 HH11 ARG 91 HH11 ARG 91 -6.336 9.115 1.838 730 HH12 ARG 91 HH12 ARG 91 -5.442 7.748 2.414 731 HH21 ARG 91 HH21 ARG 91 -7.815 5.397 1.381 732 HH22 ARG 91 HH22 ARG 91 -6.284 5.632 2.153 733 H PHE 92 H PHE 92 -11.726 9.507 -2.103 734 HA PHE 92 HA PHE 92 -14.203 8.591 -0.794 735 HB2 PHE 92 HB2 PHE 92 -13.537 8.956 -3.678 736 HB3 PHE 92 HB3 PHE 92 -14.580 7.607 -3.235 737 HD1 PHE 92 HD1 PHE 92 -14.269 11.184 -2.201 738 HD2 PHE 92 HD2 PHE 92 -16.798 8.043 -3.565 739 HE1 PHE 92 HE1 PHE 92 -16.199 12.709 -2.123 740 HE2 PHE 92 HE2 PHE 92 -18.731 9.563 -3.492 741 HZ PHE 92 HZ PHE 92 -18.434 11.900 -2.771 742 H GLY 93 H GLY 93 -11.178 7.721 -2.322 743 HA2 GLY 93 HA2 GLY 93 -11.418 4.975 -2.545 744 HA3 GLY 93 HA3 GLY 93 -9.915 5.808 -2.177 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.769 -2.093 -0.512 2 HA2 GLY 1 HA2 GLY 1 2.418 -1.949 -2.200 3 HA3 GLY 1 HA3 GLY 1 1.147 -1.993 -3.412 4 HA PRO 2 HA PRO 2 2.715 2.404 -2.575 5 HB2 PRO 2 HB2 PRO 2 4.024 2.775 -4.925 6 HB3 PRO 2 HB3 PRO 2 4.810 2.127 -3.480 7 HG2 PRO 2 HG2 PRO 2 3.730 0.672 -5.863 8 HG3 PRO 2 HG3 PRO 2 5.247 0.409 -4.984 9 HD2 PRO 2 HD2 PRO 2 3.058 -1.139 -4.606 10 HD3 PRO 2 HD3 PRO 2 4.215 -0.787 -3.307 11 H SER 3 H SER 3 1.278 3.936 -3.057 12 HA SER 3 HA SER 3 -0.278 3.663 -5.544 13 HB2 SER 3 HB2 SER 3 -1.110 4.894 -2.907 14 HB3 SER 3 HB3 SER 3 -2.097 4.866 -4.367 15 HG SER 3 HG SER 3 -2.413 2.749 -4.139 16 H ASN 4 H ASN 4 -0.322 5.323 -6.943 17 HA ASN 4 HA ASN 4 1.198 7.730 -6.215 18 HB2 ASN 4 HB2 ASN 4 2.063 6.502 -8.147 19 HB3 ASN 4 HB3 ASN 4 0.496 6.617 -8.941 20 HD21 ASN 4 HD21 ASN 4 2.825 8.778 -7.355 21 HD22 ASN 4 HD22 ASN 4 2.762 10.009 -8.566 22 H LYS 5 H LYS 5 -1.917 6.585 -7.207 23 HA LYS 5 HA LYS 5 -2.909 9.360 -7.193 24 HB2 LYS 5 HB2 LYS 5 -4.807 8.096 -8.639 25 HB3 LYS 5 HB3 LYS 5 -3.429 8.922 -9.353 26 HG2 LYS 5 HG2 LYS 5 -2.218 6.799 -9.462 27 HG3 LYS 5 HG3 LYS 5 -3.611 5.975 -8.758 28 HD2 LYS 5 HD2 LYS 5 -3.880 5.605 -11.038 29 HD3 LYS 5 HD3 LYS 5 -4.924 6.996 -10.737 30 HE2 LYS 5 HE2 LYS 5 -3.819 7.789 -12.555 31 HE3 LYS 5 HE3 LYS 5 -2.677 8.301 -11.314 32 HZ1 LYS 5 HZ1 LYS 5 -2.150 5.639 -12.159 33 HZ2 LYS 5 HZ2 LYS 5 -1.126 6.984 -12.161 34 HZ3 LYS 5 HZ3 LYS 5 -2.144 6.696 -13.480 35 H ILE 6 H ILE 6 -5.169 9.587 -6.515 36 HA ILE 6 HA ILE 6 -6.298 7.388 -4.985 37 HB ILE 6 HB ILE 6 -6.559 8.756 -2.943 38 HG12 ILE 6 HG12 ILE 6 -4.393 10.594 -3.827 39 HG13 ILE 6 HG13 ILE 6 -6.012 10.903 -4.443 40 HG21 ILE 6 HG21 ILE 6 -4.783 7.119 -3.052 41 HG22 ILE 6 HG22 ILE 6 -3.718 8.286 -3.834 42 HG23 ILE 6 HG23 ILE 6 -4.229 8.539 -2.165 43 HD11 ILE 6 HD11 ILE 6 -6.828 10.941 -2.101 44 HD12 ILE 6 HD12 ILE 6 -5.153 10.802 -1.565 45 HD13 ILE 6 HD13 ILE 6 -5.671 12.217 -2.482 46 H LYS 7 H LYS 7 -8.499 7.632 -4.521 47 HA LYS 7 HA LYS 7 -9.938 9.270 -6.354 48 HB2 LYS 7 HB2 LYS 7 -10.486 7.036 -4.666 49 HB3 LYS 7 HB3 LYS 7 -11.675 8.286 -4.324 50 HG2 LYS 7 HG2 LYS 7 -11.770 8.358 -6.984 51 HG3 LYS 7 HG3 LYS 7 -11.253 6.683 -6.772 52 HD2 LYS 7 HD2 LYS 7 -13.419 6.210 -6.487 53 HD3 LYS 7 HD3 LYS 7 -13.256 6.966 -4.900 54 HE2 LYS 7 HE2 LYS 7 -13.995 9.081 -5.778 55 HE3 LYS 7 HE3 LYS 7 -14.002 8.444 -7.421 56 HZ1 LYS 7 HZ1 LYS 7 -15.870 7.172 -7.009 57 HZ2 LYS 7 HZ2 LYS 7 -16.206 8.586 -6.142 58 HZ3 LYS 7 HZ3 LYS 7 -15.669 7.202 -5.329 59 H CYS 8 H CYS 8 -11.287 11.023 -5.956 60 HA CYS 8 HA CYS 8 -11.853 12.112 -3.437 61 HB2 CYS 8 HB2 CYS 8 -10.362 14.107 -3.502 62 HB3 CYS 8 HB3 CYS 8 -9.492 12.597 -3.257 63 HG CYS 8 HG CYS 8 -8.797 14.875 -5.372 64 H SER 9 H SER 9 -12.944 14.177 -3.565 65 HA SER 9 HA SER 9 -13.868 14.786 -6.298 66 HB2 SER 9 HB2 SER 9 -16.028 15.460 -5.253 67 HB3 SER 9 HB3 SER 9 -15.656 13.753 -5.021 68 HG SER 9 HG SER 9 -14.792 15.533 -3.061 69 H HIS 10 H HIS 10 -15.278 17.065 -5.853 70 HA HIS 10 HA HIS 10 -13.909 18.985 -4.268 71 HB2 HIS 10 HB2 HIS 10 -12.921 20.316 -6.086 72 HB3 HIS 10 HB3 HIS 10 -12.186 18.719 -5.984 73 HD1 HIS 10 HD1 HIS 10 -13.512 21.011 -8.376 74 HD2 HIS 10 HD2 HIS 10 -13.482 16.876 -7.984 75 HE1 HIS 10 HE1 HIS 10 -13.997 20.115 -10.675 76 H ILE 11 H ILE 11 -14.971 20.967 -4.213 77 HA ILE 11 HA ILE 11 -17.197 21.401 -6.050 78 HB ILE 11 HB ILE 11 -17.524 21.199 -3.057 79 HG12 ILE 11 HG12 ILE 11 -18.980 19.799 -5.309 80 HG13 ILE 11 HG13 ILE 11 -17.655 19.093 -4.392 81 HG21 ILE 11 HG21 ILE 11 -18.698 23.162 -3.732 82 HG22 ILE 11 HG22 ILE 11 -19.386 22.337 -5.129 83 HG23 ILE 11 HG23 ILE 11 -19.888 21.881 -3.502 84 HD11 ILE 11 HD11 ILE 11 -18.999 19.288 -2.347 85 HD12 ILE 11 HD12 ILE 11 -20.333 19.929 -3.306 86 HD13 ILE 11 HD13 ILE 11 -19.767 18.279 -3.572 87 H LEU 12 H LEU 12 -17.194 23.446 -6.692 88 HA LEU 12 HA LEU 12 -15.761 25.430 -5.074 89 HB2 LEU 12 HB2 LEU 12 -16.323 25.098 -7.969 90 HB3 LEU 12 HB3 LEU 12 -16.198 26.743 -7.347 91 HG LEU 12 HG LEU 12 -14.081 26.030 -8.282 92 HD11 LEU 12 HD11 LEU 12 -13.007 25.908 -5.693 93 HD12 LEU 12 HD12 LEU 12 -14.468 26.890 -5.577 94 HD13 LEU 12 HD13 LEU 12 -13.199 27.328 -6.720 95 HD21 LEU 12 HD21 LEU 12 -14.715 23.538 -7.451 96 HD22 LEU 12 HD22 LEU 12 -13.556 24.009 -6.208 97 HD23 LEU 12 HD23 LEU 12 -13.088 24.044 -7.908 98 H VAL 13 H VAL 13 -16.747 27.171 -4.217 99 HA VAL 13 HA VAL 13 -19.534 27.719 -4.976 100 HB VAL 13 HB VAL 13 -20.153 28.075 -2.643 101 HG11 VAL 13 HG11 VAL 13 -18.896 25.353 -2.935 102 HG12 VAL 13 HG12 VAL 13 -20.308 25.792 -1.970 103 HG13 VAL 13 HG13 VAL 13 -20.393 25.832 -3.733 104 HG21 VAL 13 HG21 VAL 13 -17.872 28.688 -1.861 105 HG22 VAL 13 HG22 VAL 13 -18.695 27.534 -0.813 106 HG23 VAL 13 HG23 VAL 13 -17.438 26.980 -1.920 107 H SER 14 H SER 14 -20.159 29.825 -3.506 108 HA SER 14 HA SER 14 -18.085 31.807 -4.174 109 HB2 SER 14 HB2 SER 14 -21.075 31.875 -4.313 110 HB3 SER 14 HB3 SER 14 -20.195 33.381 -4.048 111 HG SER 14 HG SER 14 -20.666 32.442 -6.329 112 H LYS 15 H LYS 15 -19.981 30.450 -1.659 113 HA LYS 15 HA LYS 15 -18.888 32.434 0.220 114 HB2 LYS 15 HB2 LYS 15 -21.002 32.019 1.588 115 HB3 LYS 15 HB3 LYS 15 -21.174 33.003 0.140 116 HG2 LYS 15 HG2 LYS 15 -22.246 31.292 -1.038 117 HG3 LYS 15 HG3 LYS 15 -21.717 30.055 0.106 118 HD2 LYS 15 HD2 LYS 15 -24.082 30.559 0.409 119 HD3 LYS 15 HD3 LYS 15 -23.154 31.044 1.829 120 HE2 LYS 15 HE2 LYS 15 -23.434 33.285 1.413 121 HE3 LYS 15 HE3 LYS 15 -23.633 33.047 -0.323 122 HZ1 LYS 15 HZ1 LYS 15 -25.754 33.561 0.363 123 HZ2 LYS 15 HZ2 LYS 15 -25.617 32.726 1.828 124 HZ3 LYS 15 HZ3 LYS 15 -25.802 31.869 0.381 125 H GLN 16 H GLN 16 -18.175 31.654 2.188 126 HA GLN 16 HA GLN 16 -17.231 29.010 2.259 127 HB2 GLN 16 HB2 GLN 16 -16.738 29.532 4.685 128 HB3 GLN 16 HB3 GLN 16 -16.045 30.641 3.509 129 HG2 GLN 16 HG2 GLN 16 -17.348 32.376 4.162 130 HG3 GLN 16 HG3 GLN 16 -18.697 31.336 4.620 131 HE21 GLN 16 HE21 GLN 16 -15.851 32.941 5.659 132 HE22 GLN 16 HE22 GLN 16 -15.951 32.516 7.330 133 H SER 17 H SER 17 -20.147 30.491 3.498 134 HA SER 17 HA SER 17 -20.961 28.517 5.297 135 HB2 SER 17 HB2 SER 17 -22.350 30.630 3.717 136 HB3 SER 17 HB3 SER 17 -23.341 29.375 4.461 137 HG SER 17 HG SER 17 -22.783 31.387 5.715 138 H GLU 18 H GLU 18 -20.926 28.550 1.840 139 HA GLU 18 HA GLU 18 -22.723 26.271 1.630 140 HB2 GLU 18 HB2 GLU 18 -21.285 27.975 -0.396 141 HB3 GLU 18 HB3 GLU 18 -22.122 26.497 -0.850 142 HG2 GLU 18 HG2 GLU 18 -23.522 28.656 0.677 143 HG3 GLU 18 HG3 GLU 18 -23.356 28.735 -1.076 144 H ALA 19 H ALA 19 -19.323 27.049 0.962 145 HA ALA 19 HA ALA 19 -18.553 24.495 0.080 146 HB1 ALA 19 HB1 ALA 19 -16.379 25.770 1.424 147 HB2 ALA 19 HB2 ALA 19 -16.653 25.571 -0.308 148 HB3 ALA 19 HB3 ALA 19 -17.301 26.980 0.531 149 H LEU 20 H LEU 20 -18.360 25.989 3.303 150 HA LEU 20 HA LEU 20 -17.257 23.688 4.560 151 HB2 LEU 20 HB2 LEU 20 -17.342 26.206 5.297 152 HB3 LEU 20 HB3 LEU 20 -18.847 25.711 6.069 153 HG LEU 20 HG LEU 20 -16.362 24.154 6.616 154 HD11 LEU 20 HD11 LEU 20 -16.938 26.934 7.523 155 HD12 LEU 20 HD12 LEU 20 -15.403 26.187 7.084 156 HD13 LEU 20 HD13 LEU 20 -16.160 25.804 8.631 157 HD21 LEU 20 HD21 LEU 20 -19.046 24.436 7.687 158 HD22 LEU 20 HD22 LEU 20 -17.806 24.583 8.933 159 HD23 LEU 20 HD23 LEU 20 -17.867 23.143 7.914 160 H ALA 21 H ALA 21 -20.405 24.514 3.552 161 HA ALA 21 HA ALA 21 -21.902 23.058 5.481 162 HB1 ALA 21 HB1 ALA 21 -23.430 23.085 3.175 163 HB2 ALA 21 HB2 ALA 21 -23.456 24.287 4.465 164 HB3 ALA 21 HB3 ALA 21 -22.437 24.537 3.047 165 H ILE 22 H ILE 22 -19.846 22.060 3.017 166 HA ILE 22 HA ILE 22 -21.201 19.699 2.174 167 HB ILE 22 HB ILE 22 -18.259 20.371 2.052 168 HG12 ILE 22 HG12 ILE 22 -19.616 21.975 0.817 169 HG13 ILE 22 HG13 ILE 22 -18.746 20.937 -0.308 170 HG21 ILE 22 HG21 ILE 22 -18.178 18.133 1.671 171 HG22 ILE 22 HG22 ILE 22 -19.849 18.054 1.114 172 HG23 ILE 22 HG23 ILE 22 -18.589 18.664 0.040 173 HD11 ILE 22 HD11 ILE 22 -21.658 21.015 0.326 174 HD12 ILE 22 HD12 ILE 22 -20.847 21.045 -1.239 175 HD13 ILE 22 HD13 ILE 22 -20.926 19.545 -0.315 176 H MET 23 H MET 23 -19.167 20.512 4.866 177 HA MET 23 HA MET 23 -18.787 17.707 5.581 178 HB2 MET 23 HB2 MET 23 -17.246 18.468 7.233 179 HB3 MET 23 HB3 MET 23 -16.920 19.384 5.767 180 HG2 MET 23 HG2 MET 23 -17.082 21.237 6.956 181 HG3 MET 23 HG3 MET 23 -18.793 20.890 7.187 182 HE1 MET 23 HE1 MET 23 -16.775 22.406 9.956 183 HE2 MET 23 HE2 MET 23 -15.487 21.202 9.990 184 HE3 MET 23 HE3 MET 23 -15.932 21.975 8.467 185 H GLU 24 H GLU 24 -20.902 20.291 6.216 186 HA GLU 24 HA GLU 24 -21.738 19.222 8.804 187 HB2 GLU 24 HB2 GLU 24 -23.081 21.535 7.461 188 HB3 GLU 24 HB3 GLU 24 -22.852 21.223 9.176 189 HG2 GLU 24 HG2 GLU 24 -20.288 21.483 8.373 190 HG3 GLU 24 HG3 GLU 24 -21.097 22.569 7.245 191 H LYS 25 H LYS 25 -23.084 19.894 5.588 192 HA LYS 25 HA LYS 25 -25.667 18.925 6.052 193 HB2 LYS 25 HB2 LYS 25 -24.699 20.221 4.025 194 HB3 LYS 25 HB3 LYS 25 -24.290 18.630 3.397 195 HG2 LYS 25 HG2 LYS 25 -26.439 18.101 2.948 196 HG3 LYS 25 HG3 LYS 25 -27.065 18.999 4.333 197 HD2 LYS 25 HD2 LYS 25 -26.297 21.085 2.965 198 HD3 LYS 25 HD3 LYS 25 -26.362 19.974 1.595 199 HE2 LYS 25 HE2 LYS 25 -28.663 20.267 3.500 200 HE3 LYS 25 HE3 LYS 25 -28.456 21.357 2.131 201 HZ1 LYS 25 HZ1 LYS 25 -29.483 18.716 2.169 202 HZ2 LYS 25 HZ2 LYS 25 -28.160 18.808 1.120 203 HZ3 LYS 25 HZ3 LYS 25 -29.482 19.842 0.906 204 H LEU 26 H LEU 26 -22.933 17.255 4.477 205 HA LEU 26 HA LEU 26 -24.174 14.757 4.262 206 HB2 LEU 26 HB2 LEU 26 -21.228 15.267 4.626 207 HB3 LEU 26 HB3 LEU 26 -21.976 13.856 3.882 208 HG LEU 26 HG LEU 26 -21.947 16.660 2.770 209 HD11 LEU 26 HD11 LEU 26 -20.809 14.499 1.189 210 HD12 LEU 26 HD12 LEU 26 -19.964 14.757 2.715 211 HD13 LEU 26 HD13 LEU 26 -20.153 16.090 1.576 212 HD21 LEU 26 HD21 LEU 26 -22.838 15.317 0.727 213 HD22 LEU 26 HD22 LEU 26 -23.955 15.837 1.990 214 HD23 LEU 26 HD23 LEU 26 -23.379 14.169 1.953 215 H LYS 27 H LYS 27 -22.762 16.358 6.969 216 HA LYS 27 HA LYS 27 -22.029 14.224 8.595 217 HB2 LYS 27 HB2 LYS 27 -21.849 16.816 8.940 218 HB3 LYS 27 HB3 LYS 27 -23.394 16.625 9.756 219 HG2 LYS 27 HG2 LYS 27 -21.866 16.482 11.484 220 HG3 LYS 27 HG3 LYS 27 -22.202 14.789 11.115 221 HD2 LYS 27 HD2 LYS 27 -20.161 14.562 9.914 222 HD3 LYS 27 HD3 LYS 27 -19.879 16.305 9.939 223 HE2 LYS 27 HE2 LYS 27 -19.481 16.278 12.292 224 HE3 LYS 27 HE3 LYS 27 -20.018 14.604 12.422 225 HZ1 LYS 27 HZ1 LYS 27 -17.491 15.199 12.325 226 HZ2 LYS 27 HZ2 LYS 27 -17.760 15.219 10.655 227 HZ3 LYS 27 HZ3 LYS 27 -18.079 13.817 11.546 228 H SER 28 H SER 28 -25.168 15.362 7.683 229 HA SER 28 HA SER 28 -26.558 13.982 9.803 230 HB2 SER 28 HB2 SER 28 -27.375 15.613 7.429 231 HB3 SER 28 HB3 SER 28 -28.567 14.567 8.201 232 HG SER 28 HG SER 28 -28.569 15.815 9.924 233 H GLY 29 H GLY 29 -25.487 13.298 6.582 234 HA2 GLY 29 HA2 GLY 29 -25.269 10.846 6.164 235 HA3 GLY 29 HA3 GLY 29 -26.948 10.730 6.672 236 H GLU 30 H GLU 30 -25.237 12.946 4.468 237 HA GLU 30 HA GLU 30 -27.232 12.257 2.413 238 HB2 GLU 30 HB2 GLU 30 -25.607 14.786 2.412 239 HB3 GLU 30 HB3 GLU 30 -27.119 14.452 1.579 240 HG2 GLU 30 HG2 GLU 30 -28.079 14.210 3.981 241 HG3 GLU 30 HG3 GLU 30 -26.648 15.130 4.443 242 H LYS 31 H LYS 31 -26.035 13.357 0.208 243 HA LYS 31 HA LYS 31 -23.616 11.702 -0.089 244 HB2 LYS 31 HB2 LYS 31 -25.853 11.218 -1.402 245 HB3 LYS 31 HB3 LYS 31 -25.278 12.519 -2.437 246 HG2 LYS 31 HG2 LYS 31 -24.555 10.492 -3.413 247 HG3 LYS 31 HG3 LYS 31 -23.132 11.241 -2.683 248 HD2 LYS 31 HD2 LYS 31 -23.766 9.775 -0.621 249 HD3 LYS 31 HD3 LYS 31 -24.675 8.834 -1.805 250 HE2 LYS 31 HE2 LYS 31 -21.795 9.549 -2.247 251 HE3 LYS 31 HE3 LYS 31 -22.253 8.140 -1.293 252 HZ1 LYS 31 HZ1 LYS 31 -22.325 8.526 -4.142 253 HZ2 LYS 31 HZ2 LYS 31 -23.757 7.875 -3.522 254 HZ3 LYS 31 HZ3 LYS 31 -22.283 7.092 -3.247 255 H PHE 32 H PHE 32 -21.814 12.574 -1.005 256 HA PHE 32 HA PHE 32 -21.438 15.352 -0.889 257 HB2 PHE 32 HB2 PHE 32 -19.602 13.728 -0.661 258 HB3 PHE 32 HB3 PHE 32 -19.782 13.288 -2.356 259 HD1 PHE 32 HD1 PHE 32 -19.307 15.014 -4.114 260 HD2 PHE 32 HD2 PHE 32 -18.318 15.580 -0.012 261 HE1 PHE 32 HE1 PHE 32 -17.730 16.795 -4.743 262 HE2 PHE 32 HE2 PHE 32 -16.741 17.362 -0.635 263 HZ PHE 32 HZ PHE 32 -16.444 17.971 -3.003 264 H GLY 33 H GLY 33 -21.996 13.186 -3.639 265 HA2 GLY 33 HA2 GLY 33 -21.667 15.075 -5.686 266 HA3 GLY 33 HA3 GLY 33 -22.634 13.612 -5.802 267 H LYS 34 H LYS 34 -24.450 14.329 -3.669 268 HA LYS 34 HA LYS 34 -26.439 15.621 -5.125 269 HB2 LYS 34 HB2 LYS 34 -26.089 15.195 -2.161 270 HB3 LYS 34 HB3 LYS 34 -27.528 15.946 -2.840 271 HG2 LYS 34 HG2 LYS 34 -26.612 13.279 -3.829 272 HG3 LYS 34 HG3 LYS 34 -27.536 13.415 -2.332 273 HD2 LYS 34 HD2 LYS 34 -29.381 14.401 -3.467 274 HD3 LYS 34 HD3 LYS 34 -28.441 14.606 -4.946 275 HE2 LYS 34 HE2 LYS 34 -28.418 12.281 -5.367 276 HE3 LYS 34 HE3 LYS 34 -28.992 11.907 -3.743 277 HZ1 LYS 34 HZ1 LYS 34 -30.832 13.603 -5.057 278 HZ2 LYS 34 HZ2 LYS 34 -31.075 12.047 -4.442 279 HZ3 LYS 34 HZ3 LYS 34 -30.518 12.251 -6.025 280 H LEU 35 H LEU 35 -23.834 16.919 -3.266 281 HA LEU 35 HA LEU 35 -25.016 19.604 -3.343 282 HB2 LEU 35 HB2 LEU 35 -22.424 18.926 -2.013 283 HB3 LEU 35 HB3 LEU 35 -23.546 20.236 -1.654 284 HG LEU 35 HG LEU 35 -23.917 17.315 -1.001 285 HD11 LEU 35 HD11 LEU 35 -24.023 18.399 1.347 286 HD12 LEU 35 HD12 LEU 35 -23.177 19.743 0.580 287 HD13 LEU 35 HD13 LEU 35 -22.451 18.135 0.589 288 HD21 LEU 35 HD21 LEU 35 -25.893 18.422 0.325 289 HD22 LEU 35 HD22 LEU 35 -26.090 17.956 -1.364 290 HD23 LEU 35 HD23 LEU 35 -25.780 19.641 -0.945 291 H ALA 36 H ALA 36 -22.535 17.637 -4.725 292 HA ALA 36 HA ALA 36 -20.939 19.785 -5.746 293 HB1 ALA 36 HB1 ALA 36 -19.620 18.147 -6.767 294 HB2 ALA 36 HB2 ALA 36 -20.203 17.377 -5.290 295 HB3 ALA 36 HB3 ALA 36 -20.951 16.992 -6.840 296 H LYS 37 H LYS 37 -23.823 18.203 -6.736 297 HA LYS 37 HA LYS 37 -23.573 18.997 -9.518 298 HB2 LYS 37 HB2 LYS 37 -25.754 17.937 -9.807 299 HB3 LYS 37 HB3 LYS 37 -24.650 16.862 -8.959 300 HG2 LYS 37 HG2 LYS 37 -25.729 17.765 -6.816 301 HG3 LYS 37 HG3 LYS 37 -27.000 18.371 -7.880 302 HD2 LYS 37 HD2 LYS 37 -26.094 15.496 -7.758 303 HD3 LYS 37 HD3 LYS 37 -27.498 16.140 -6.905 304 HE2 LYS 37 HE2 LYS 37 -28.572 16.698 -8.976 305 HE3 LYS 37 HE3 LYS 37 -27.125 16.286 -9.892 306 HZ1 LYS 37 HZ1 LYS 37 -29.206 14.619 -9.387 307 HZ2 LYS 37 HZ2 LYS 37 -28.058 14.132 -8.244 308 HZ3 LYS 37 HZ3 LYS 37 -27.664 14.139 -9.889 309 H GLU 38 H GLU 38 -24.080 20.721 -6.876 310 HA GLU 38 HA GLU 38 -25.839 22.609 -8.265 311 HB2 GLU 38 HB2 GLU 38 -26.121 21.865 -5.349 312 HB3 GLU 38 HB3 GLU 38 -27.046 23.100 -6.190 313 HG2 GLU 38 HG2 GLU 38 -27.082 20.269 -7.142 314 HG3 GLU 38 HG3 GLU 38 -28.099 20.782 -5.796 315 H LEU 39 H LEU 39 -24.056 22.322 -5.185 316 HA LEU 39 HA LEU 39 -23.387 25.011 -4.940 317 HB2 LEU 39 HB2 LEU 39 -21.901 22.573 -3.976 318 HB3 LEU 39 HB3 LEU 39 -21.559 24.222 -3.456 319 HG LEU 39 HG LEU 39 -24.053 22.618 -2.916 320 HD11 LEU 39 HD11 LEU 39 -23.075 22.069 -1.007 321 HD12 LEU 39 HD12 LEU 39 -22.802 23.769 -0.627 322 HD13 LEU 39 HD13 LEU 39 -21.599 22.868 -1.550 323 HD21 LEU 39 HD21 LEU 39 -24.744 24.615 -1.588 324 HD22 LEU 39 HD22 LEU 39 -24.755 24.864 -3.334 325 HD23 LEU 39 HD23 LEU 39 -23.437 25.514 -2.357 326 H SER 40 H SER 40 -21.474 22.356 -6.341 327 HA SER 40 HA SER 40 -19.184 23.734 -7.006 328 HB2 SER 40 HB2 SER 40 -19.834 21.218 -7.327 329 HB3 SER 40 HB3 SER 40 -20.322 21.740 -8.939 330 HG SER 40 HG SER 40 -17.843 21.303 -7.960 331 H ILE 41 H ILE 41 -19.205 25.707 -7.900 332 HA ILE 41 HA ILE 41 -21.103 26.490 -9.899 333 HB ILE 41 HB ILE 41 -19.737 28.573 -10.040 334 HG12 ILE 41 HG12 ILE 41 -18.189 27.853 -7.635 335 HG13 ILE 41 HG13 ILE 41 -17.686 27.038 -9.112 336 HG21 ILE 41 HG21 ILE 41 -20.059 28.382 -7.163 337 HG22 ILE 41 HG22 ILE 41 -20.930 29.370 -8.335 338 HG23 ILE 41 HG23 ILE 41 -21.430 27.705 -8.040 339 HD11 ILE 41 HD11 ILE 41 -17.317 29.795 -8.279 340 HD12 ILE 41 HD12 ILE 41 -16.445 28.842 -9.480 341 HD13 ILE 41 HD13 ILE 41 -17.953 29.644 -9.916 342 H ASP 42 H ASP 42 -17.982 25.040 -9.916 343 HA ASP 42 HA ASP 42 -17.045 25.868 -12.432 344 HB2 ASP 42 HB2 ASP 42 -15.574 24.763 -10.849 345 HB3 ASP 42 HB3 ASP 42 -16.550 23.297 -10.917 346 H SER 43 H SER 43 -18.135 25.670 -14.271 347 HA SER 43 HA SER 43 -20.268 24.010 -14.804 348 HB2 SER 43 HB2 SER 43 -19.901 24.497 -17.166 349 HB3 SER 43 HB3 SER 43 -19.605 25.946 -16.205 350 HG SER 43 HG SER 43 -17.715 25.968 -17.102 351 H GLY 44 H GLY 44 -16.830 23.360 -15.143 352 HA2 GLY 44 HA2 GLY 44 -17.360 20.745 -16.332 353 HA3 GLY 44 HA3 GLY 44 -15.781 21.478 -16.090 354 H SER 45 H SER 45 -18.435 20.858 -13.808 355 HA SER 45 HA SER 45 -16.989 18.737 -12.508 356 HB2 SER 45 HB2 SER 45 -15.777 20.523 -11.485 357 HB3 SER 45 HB3 SER 45 -17.251 21.445 -11.195 358 HG SER 45 HG SER 45 -16.498 20.367 -9.311 359 H ALA 46 H ALA 46 -19.620 21.095 -12.312 360 HA ALA 46 HA ALA 46 -21.237 19.690 -10.492 361 HB1 ALA 46 HB1 ALA 46 -22.787 21.312 -10.844 362 HB2 ALA 46 HB2 ALA 46 -21.387 22.129 -11.540 363 HB3 ALA 46 HB3 ALA 46 -22.548 21.319 -12.592 364 H LYS 47 H LYS 47 -20.463 19.046 -13.742 365 HA LYS 47 HA LYS 47 -22.883 17.566 -14.327 366 HB2 LYS 47 HB2 LYS 47 -21.450 18.864 -16.019 367 HB3 LYS 47 HB3 LYS 47 -20.337 17.505 -15.933 368 HG2 LYS 47 HG2 LYS 47 -21.892 16.024 -16.869 369 HG3 LYS 47 HG3 LYS 47 -23.240 17.127 -16.583 370 HD2 LYS 47 HD2 LYS 47 -20.962 17.842 -18.407 371 HD3 LYS 47 HD3 LYS 47 -22.364 16.934 -18.976 372 HE2 LYS 47 HE2 LYS 47 -23.838 18.736 -18.330 373 HE3 LYS 47 HE3 LYS 47 -22.492 19.625 -17.620 374 HZ1 LYS 47 HZ1 LYS 47 -21.686 20.214 -19.654 375 HZ2 LYS 47 HZ2 LYS 47 -23.335 20.154 -20.021 376 HZ3 LYS 47 HZ3 LYS 47 -22.327 18.864 -20.446 377 H LYS 48 H LYS 48 -19.793 16.970 -12.949 378 HA LYS 48 HA LYS 48 -20.288 14.067 -13.077 379 HB2 LYS 48 HB2 LYS 48 -17.756 13.938 -12.608 380 HB3 LYS 48 HB3 LYS 48 -18.278 14.365 -14.232 381 HG2 LYS 48 HG2 LYS 48 -17.795 16.591 -12.342 382 HG3 LYS 48 HG3 LYS 48 -16.387 15.701 -12.929 383 HD2 LYS 48 HD2 LYS 48 -18.443 16.596 -14.893 384 HD3 LYS 48 HD3 LYS 48 -17.319 17.788 -14.237 385 HE2 LYS 48 HE2 LYS 48 -15.449 16.652 -15.102 386 HE3 LYS 48 HE3 LYS 48 -16.377 15.185 -15.404 387 HZ1 LYS 48 HZ1 LYS 48 -16.112 16.175 -17.484 388 HZ2 LYS 48 HZ2 LYS 48 -16.435 17.731 -16.905 389 HZ3 LYS 48 HZ3 LYS 48 -17.687 16.600 -17.033 390 H ASN 49 H ASN 49 -21.236 16.100 -11.120 391 HA ASN 49 HA ASN 49 -21.443 16.396 -8.870 392 HB2 ASN 49 HB2 ASN 49 -20.683 13.471 -8.973 393 HB3 ASN 49 HB3 ASN 49 -21.256 14.280 -7.518 394 HD21 ASN 49 HD21 ASN 49 -23.385 15.317 -7.657 395 HD22 ASN 49 HD22 ASN 49 -24.601 14.567 -8.628 396 H GLY 50 H GLY 50 -18.856 17.028 -10.036 397 HA2 GLY 50 HA2 GLY 50 -16.748 17.639 -9.362 398 HA3 GLY 50 HA3 GLY 50 -17.406 17.627 -7.733 399 H ASN 51 H ASN 51 -17.520 14.693 -9.541 400 HA ASN 51 HA ASN 51 -15.556 13.528 -7.714 401 HB2 ASN 51 HB2 ASN 51 -17.952 12.587 -8.255 402 HB3 ASN 51 HB3 ASN 51 -17.148 11.910 -9.668 403 HD21 ASN 51 HD21 ASN 51 -16.661 12.215 -6.167 404 HD22 ASN 51 HD22 ASN 51 -16.067 10.609 -5.940 405 H LEU 52 H LEU 52 -13.748 14.525 -8.828 406 HA LEU 52 HA LEU 52 -13.139 13.990 -11.536 407 HB2 LEU 52 HB2 LEU 52 -10.820 14.647 -10.879 408 HB3 LEU 52 HB3 LEU 52 -12.072 15.824 -10.483 409 HG LEU 52 HG LEU 52 -11.963 14.581 -8.137 410 HD11 LEU 52 HD11 LEU 52 -10.238 13.227 -7.835 411 HD12 LEU 52 HD12 LEU 52 -9.119 14.499 -8.322 412 HD13 LEU 52 HD13 LEU 52 -9.806 13.417 -9.533 413 HD21 LEU 52 HD21 LEU 52 -9.691 16.406 -8.455 414 HD22 LEU 52 HD22 LEU 52 -11.109 16.525 -7.412 415 HD23 LEU 52 HD23 LEU 52 -11.214 17.011 -9.106 416 H GLY 53 H GLY 53 -13.080 12.009 -8.790 417 HA2 GLY 53 HA2 GLY 53 -12.570 9.759 -8.636 418 HA3 GLY 53 HA3 GLY 53 -12.010 9.811 -10.301 419 H TYR 54 H TYR 54 -10.023 8.978 -10.293 420 HA TYR 54 HA TYR 54 -8.210 9.450 -8.089 421 HB2 TYR 54 HB2 TYR 54 -8.325 7.644 -10.417 422 HB3 TYR 54 HB3 TYR 54 -6.707 8.159 -9.956 423 HD1 TYR 54 HD1 TYR 54 -9.615 7.530 -7.729 424 HD2 TYR 54 HD2 TYR 54 -5.790 6.206 -9.039 425 HE1 TYR 54 HE1 TYR 54 -9.593 5.843 -5.940 426 HE2 TYR 54 HE2 TYR 54 -5.758 4.514 -7.254 427 HH TYR 54 HH TYR 54 -7.495 4.559 -4.646 428 H PHE 55 H PHE 55 -6.511 10.809 -8.051 429 HA PHE 55 HA PHE 55 -5.733 12.170 -10.529 430 HB2 PHE 55 HB2 PHE 55 -6.059 14.302 -9.723 431 HB3 PHE 55 HB3 PHE 55 -7.392 13.468 -8.930 432 HD1 PHE 55 HD2 PHE 55 -6.299 12.174 -6.666 433 HD2 PHE 55 HD1 PHE 55 -5.188 15.919 -8.358 434 HE1 PHE 55 HE2 PHE 55 -5.455 12.910 -4.475 435 HE2 PHE 55 HE1 PHE 55 -4.342 16.660 -6.171 436 HZ PHE 55 HZ PHE 55 -4.475 15.156 -4.225 437 H THR 56 H THR 56 -3.767 13.727 -9.868 438 HA THR 56 HA THR 56 -2.006 12.411 -7.951 439 HB THR 56 HB THR 56 -0.197 12.084 -9.489 440 HG1 THR 56 HG1 THR 56 -0.190 13.467 -11.103 441 HG21 THR 56 HG21 THR 56 -1.022 10.296 -10.801 442 HG22 THR 56 HG22 THR 56 -2.623 11.025 -10.924 443 HG23 THR 56 HG23 THR 56 -2.069 10.369 -9.384 444 H LYS 57 H LYS 57 0.314 13.641 -8.331 445 HA LYS 57 HA LYS 57 -0.305 16.399 -7.680 446 HB2 LYS 57 HB2 LYS 57 2.381 15.013 -7.727 447 HB3 LYS 57 HB3 LYS 57 2.012 16.561 -6.978 448 HG2 LYS 57 HG2 LYS 57 0.219 14.927 -5.749 449 HG3 LYS 57 HG3 LYS 57 1.587 13.839 -5.991 450 HD2 LYS 57 HD2 LYS 57 1.960 16.584 -4.837 451 HD3 LYS 57 HD3 LYS 57 1.498 15.217 -3.821 452 HE2 LYS 57 HE2 LYS 57 3.493 13.997 -4.637 453 HE3 LYS 57 HE3 LYS 57 3.967 15.434 -5.542 454 HZ1 LYS 57 HZ1 LYS 57 3.483 16.224 -2.917 455 HZ2 LYS 57 HZ2 LYS 57 4.966 16.174 -3.728 456 HZ3 LYS 57 HZ3 LYS 57 4.443 14.834 -2.838 457 H GLY 58 H GLY 58 -0.510 17.821 -9.282 458 HA2 GLY 58 HA2 GLY 58 0.881 19.155 -10.847 459 HA3 GLY 58 HA3 GLY 58 1.374 17.622 -11.550 460 H MET 59 H MET 59 -1.876 17.630 -10.623 461 HA MET 59 HA MET 59 -2.699 18.219 -13.391 462 HB2 MET 59 HB2 MET 59 -3.850 16.198 -11.461 463 HB3 MET 59 HB3 MET 59 -4.544 16.588 -13.028 464 HG2 MET 59 HG2 MET 59 -1.701 15.731 -12.909 465 HG3 MET 59 HG3 MET 59 -2.963 14.518 -12.698 466 HE1 MET 59 HE1 MET 59 -4.746 13.921 -14.419 467 HE2 MET 59 HE2 MET 59 -5.312 15.577 -14.644 468 HE3 MET 59 HE3 MET 59 -4.879 14.595 -16.044 469 H MET 60 H MET 60 -2.751 19.464 -10.401 470 HA MET 60 HA MET 60 -5.283 20.859 -10.900 471 HB2 MET 60 HB2 MET 60 -4.412 19.894 -8.172 472 HB3 MET 60 HB3 MET 60 -5.898 20.752 -8.557 473 HG2 MET 60 HG2 MET 60 -5.261 18.102 -9.798 474 HG3 MET 60 HG3 MET 60 -6.008 18.222 -8.205 475 HE1 MET 60 HE1 MET 60 -6.813 16.720 -10.549 476 HE2 MET 60 HE2 MET 60 -8.570 16.878 -10.525 477 HE3 MET 60 HE3 MET 60 -7.642 17.543 -11.870 478 H VAL 61 H VAL 61 -5.302 22.586 -8.801 479 HA VAL 61 HA VAL 61 -2.979 24.256 -9.401 480 HB VAL 61 HB VAL 61 -4.229 26.112 -8.538 481 HG11 VAL 61 HG11 VAL 61 -5.678 26.303 -10.271 482 HG12 VAL 61 HG12 VAL 61 -4.870 24.825 -10.794 483 HG13 VAL 61 HG13 VAL 61 -6.425 24.736 -9.964 484 HG21 VAL 61 HG21 VAL 61 -6.466 25.849 -7.566 485 HG22 VAL 61 HG22 VAL 61 -6.299 24.097 -7.666 486 HG23 VAL 61 HG23 VAL 61 -5.237 25.025 -6.607 487 H LYS 62 H LYS 62 -2.058 25.567 -7.611 488 HA LYS 62 HA LYS 62 -0.966 23.988 -5.616 489 HB2 LYS 62 HB2 LYS 62 0.248 25.910 -5.936 490 HB3 LYS 62 HB3 LYS 62 -1.186 26.920 -6.079 491 HG2 LYS 62 HG2 LYS 62 0.071 27.448 -4.067 492 HG3 LYS 62 HG3 LYS 62 -1.525 26.805 -3.670 493 HD2 LYS 62 HD2 LYS 62 -0.428 24.556 -3.391 494 HD3 LYS 62 HD3 LYS 62 1.127 25.379 -3.533 495 HE2 LYS 62 HE2 LYS 62 -0.927 26.254 -1.530 496 HE3 LYS 62 HE3 LYS 62 0.187 24.935 -1.180 497 HZ1 LYS 62 HZ1 LYS 62 1.059 27.010 -0.357 498 HZ2 LYS 62 HZ2 LYS 62 0.940 27.718 -1.888 499 HZ3 LYS 62 HZ3 LYS 62 2.034 26.455 -1.624 500 HA PRO 63 HA PRO 63 -4.149 25.826 -2.479 501 HB2 PRO 63 HB2 PRO 63 -6.246 27.214 -3.503 502 HB3 PRO 63 HB3 PRO 63 -4.715 27.976 -3.057 503 HG2 PRO 63 HG2 PRO 63 -5.696 27.132 -5.756 504 HG3 PRO 63 HG3 PRO 63 -4.855 28.621 -5.287 505 HD2 PRO 63 HD2 PRO 63 -3.586 26.544 -6.474 506 HD3 PRO 63 HD3 PRO 63 -2.786 27.606 -5.297 507 H PHE 64 H PHE 64 -4.198 23.404 -3.902 508 HA PHE 64 HA PHE 64 -6.804 22.463 -3.233 509 HB2 PHE 64 HB2 PHE 64 -7.387 23.411 -5.393 510 HB3 PHE 64 HB3 PHE 64 -6.050 22.560 -6.161 511 HD1 PHE 64 HD2 PHE 64 -6.126 20.099 -6.395 512 HD2 PHE 64 HD1 PHE 64 -9.454 22.337 -4.970 513 HE1 PHE 64 HE2 PHE 64 -7.604 18.187 -6.855 514 HE2 PHE 64 HE1 PHE 64 -10.938 20.427 -5.427 515 HZ PHE 64 HZ PHE 64 -10.013 18.349 -6.369 516 H GLU 65 H GLU 65 -4.150 21.619 -5.467 517 HA GLU 65 HA GLU 65 -4.190 18.878 -5.091 518 HB2 GLU 65 HB2 GLU 65 -2.861 19.823 -6.847 519 HB3 GLU 65 HB3 GLU 65 -1.884 20.727 -5.699 520 HG2 GLU 65 HG2 GLU 65 -1.014 18.604 -4.806 521 HG3 GLU 65 HG3 GLU 65 -1.944 17.737 -6.029 522 H ASP 66 H ASP 66 -2.350 21.322 -3.289 523 HA ASP 66 HA ASP 66 -0.945 19.621 -1.596 524 HB2 ASP 66 HB2 ASP 66 -0.686 22.140 -1.863 525 HB3 ASP 66 HB3 ASP 66 -2.041 22.301 -0.750 526 H ALA 67 H ALA 67 -4.216 20.912 -1.310 527 HA ALA 67 HA ALA 67 -4.610 19.293 1.114 528 HB1 ALA 67 HB1 ALA 67 -5.090 21.676 1.372 529 HB2 ALA 67 HB2 ALA 67 -6.272 21.581 0.067 530 HB3 ALA 67 HB3 ALA 67 -6.546 20.702 1.570 531 H ALA 68 H ALA 68 -4.559 18.044 -1.430 532 HA ALA 68 HA ALA 68 -7.389 17.287 -1.757 533 HB1 ALA 68 HB1 ALA 68 -6.732 18.235 -3.800 534 HB2 ALA 68 HB2 ALA 68 -5.163 17.430 -3.767 535 HB3 ALA 68 HB3 ALA 68 -6.628 16.493 -4.056 536 H PHE 69 H PHE 69 -4.197 16.228 -1.035 537 HA PHE 69 HA PHE 69 -5.152 13.442 -0.938 538 HB2 PHE 69 HB2 PHE 69 -2.646 12.880 -1.182 539 HB3 PHE 69 HB3 PHE 69 -3.519 13.403 -2.619 540 HD1 PHE 69 HD2 PHE 69 -1.683 15.007 0.211 541 HD2 PHE 69 HD1 PHE 69 -2.383 14.841 -3.984 542 HE1 PHE 69 HE2 PHE 69 -0.031 16.798 -0.133 543 HE2 PHE 69 HE1 PHE 69 -0.733 16.632 -4.334 544 HZ PHE 69 HZ PHE 69 0.444 17.614 -2.407 545 H LYS 70 H LYS 70 -4.341 16.041 0.882 546 HA LYS 70 HA LYS 70 -2.920 14.601 2.974 547 HB2 LYS 70 HB2 LYS 70 -2.519 16.671 3.974 548 HB3 LYS 70 HB3 LYS 70 -2.492 17.045 2.255 549 HG2 LYS 70 HG2 LYS 70 -4.832 17.812 2.421 550 HG3 LYS 70 HG3 LYS 70 -4.774 17.523 4.162 551 HD2 LYS 70 HD2 LYS 70 -2.858 19.111 4.295 552 HD3 LYS 70 HD3 LYS 70 -3.098 19.473 2.584 553 HE2 LYS 70 HE2 LYS 70 -4.335 21.155 3.502 554 HE3 LYS 70 HE3 LYS 70 -5.577 19.908 3.396 555 HZ1 LYS 70 HZ1 LYS 70 -5.272 19.384 5.690 556 HZ2 LYS 70 HZ2 LYS 70 -5.491 21.056 5.569 557 HZ3 LYS 70 HZ3 LYS 70 -3.942 20.422 5.820 558 H LEU 71 H LEU 71 -5.936 14.429 2.066 559 HA LEU 71 HA LEU 71 -7.193 14.853 4.671 560 HB2 LEU 71 HB2 LEU 71 -8.612 13.825 2.248 561 HB3 LEU 71 HB3 LEU 71 -9.253 14.754 3.601 562 HG LEU 71 HG LEU 71 -7.392 15.881 1.513 563 HD11 LEU 71 HD11 LEU 71 -9.710 15.074 0.735 564 HD12 LEU 71 HD12 LEU 71 -9.211 16.718 0.337 565 HD13 LEU 71 HD13 LEU 71 -10.331 16.434 1.671 566 HD21 LEU 71 HD21 LEU 71 -7.826 17.977 2.454 567 HD22 LEU 71 HD22 LEU 71 -7.569 16.921 3.845 568 HD23 LEU 71 HD23 LEU 71 -9.206 17.379 3.375 569 H GLN 72 H GLN 72 -8.810 13.112 5.331 570 HA GLN 72 HA GLN 72 -7.390 10.568 5.357 571 HB2 GLN 72 HB2 GLN 72 -8.724 11.972 7.310 572 HB3 GLN 72 HB3 GLN 72 -9.897 10.737 6.867 573 HG2 GLN 72 HG2 GLN 72 -8.434 8.991 7.451 574 HG3 GLN 72 HG3 GLN 72 -7.047 10.076 7.531 575 HE21 GLN 72 HE21 GLN 72 -9.007 8.315 9.376 576 HE22 GLN 72 HE22 GLN 72 -9.004 9.246 10.832 577 H VAL 73 H VAL 73 -8.822 8.557 5.346 578 HA VAL 73 HA VAL 73 -10.047 8.325 2.826 579 HB VAL 73 HB VAL 73 -10.387 6.472 5.187 580 HG11 VAL 73 HG11 VAL 73 -10.309 5.161 2.658 581 HG12 VAL 73 HG12 VAL 73 -11.617 5.208 3.841 582 HG13 VAL 73 HG13 VAL 73 -11.511 6.449 2.592 583 HG21 VAL 73 HG21 VAL 73 -8.280 6.478 3.028 584 HG22 VAL 73 HG22 VAL 73 -8.025 6.867 4.730 585 HG23 VAL 73 HG23 VAL 73 -8.488 5.232 4.258 586 H GLY 74 H GLY 74 -11.785 9.608 2.432 587 HA2 GLY 74 HA2 GLY 74 -14.101 9.905 2.354 588 HA3 GLY 74 HA3 GLY 74 -14.254 8.907 3.792 589 H GLU 75 H GLU 75 -12.001 11.551 3.724 590 HA GLU 75 HA GLU 75 -13.715 12.982 5.641 591 HB2 GLU 75 HB2 GLU 75 -11.142 12.118 5.972 592 HB3 GLU 75 HB3 GLU 75 -10.891 13.780 5.453 593 HG2 GLU 75 HG2 GLU 75 -12.332 14.567 7.257 594 HG3 GLU 75 HG3 GLU 75 -12.591 12.903 7.777 595 H VAL 76 H VAL 76 -14.018 15.201 5.461 596 HA VAL 76 HA VAL 76 -13.646 16.250 2.761 597 HB VAL 76 HB VAL 76 -15.242 17.389 5.061 598 HG11 VAL 76 HG11 VAL 76 -16.317 18.494 2.872 599 HG12 VAL 76 HG12 VAL 76 -15.005 19.245 3.783 600 HG13 VAL 76 HG13 VAL 76 -14.650 18.325 2.319 601 HG21 VAL 76 HG21 VAL 76 -15.790 15.161 3.470 602 HG22 VAL 76 HG22 VAL 76 -16.916 16.030 4.512 603 HG23 VAL 76 HG23 VAL 76 -16.778 16.463 2.807 604 H SER 77 H SER 77 -12.423 18.000 2.266 605 HA SER 77 HA SER 77 -10.442 18.817 4.188 606 HB2 SER 77 HB2 SER 77 -9.268 19.687 2.403 607 HB3 SER 77 HB3 SER 77 -10.252 18.486 1.567 608 HG SER 77 HG SER 77 -11.797 20.337 1.332 609 H GLU 78 H GLU 78 -9.974 21.454 3.542 610 HA GLU 78 HA GLU 78 -12.284 22.758 4.801 611 HB2 GLU 78 HB2 GLU 78 -10.477 24.618 5.142 612 HB3 GLU 78 HB3 GLU 78 -10.483 23.199 6.179 613 HG2 GLU 78 HG2 GLU 78 -8.729 22.188 4.829 614 HG3 GLU 78 HG3 GLU 78 -8.730 23.592 3.765 615 HA PRO 79 HA PRO 79 -13.180 25.282 1.329 616 HB2 PRO 79 HB2 PRO 79 -13.728 27.684 2.468 617 HB3 PRO 79 HB3 PRO 79 -14.808 26.291 2.598 618 HG2 PRO 79 HG2 PRO 79 -12.810 27.330 4.571 619 HG3 PRO 79 HG3 PRO 79 -14.462 26.747 4.851 620 HD2 PRO 79 HD2 PRO 79 -12.276 25.219 5.326 621 HD3 PRO 79 HD3 PRO 79 -13.825 24.532 4.792 622 H ILE 80 H ILE 80 -10.972 25.183 0.496 623 HA ILE 80 HA ILE 80 -9.091 27.237 1.169 624 HB ILE 80 HB ILE 80 -9.056 25.468 -1.275 625 HG12 ILE 80 HG12 ILE 80 -9.279 24.151 0.825 626 HG13 ILE 80 HG13 ILE 80 -7.744 23.883 0.006 627 HG21 ILE 80 HG21 ILE 80 -7.035 27.177 0.123 628 HG22 ILE 80 HG22 ILE 80 -6.529 25.796 -0.849 629 HG23 ILE 80 HG23 ILE 80 -7.444 27.108 -1.591 630 HD11 ILE 80 HD11 ILE 80 -7.385 24.050 2.373 631 HD12 ILE 80 HD12 ILE 80 -6.677 25.456 1.575 632 HD13 ILE 80 HD13 ILE 80 -8.215 25.604 2.426 633 H LYS 81 H LYS 81 -9.453 29.288 0.638 634 HA LYS 81 HA LYS 81 -11.112 30.059 -1.560 635 HB2 LYS 81 HB2 LYS 81 -10.862 31.349 0.581 636 HB3 LYS 81 HB3 LYS 81 -9.246 31.803 0.054 637 HG2 LYS 81 HG2 LYS 81 -10.137 33.550 -0.968 638 HG3 LYS 81 HG3 LYS 81 -10.940 32.438 -2.079 639 HD2 LYS 81 HD2 LYS 81 -12.869 32.323 -0.613 640 HD3 LYS 81 HD3 LYS 81 -12.059 33.349 0.572 641 HE2 LYS 81 HE2 LYS 81 -11.902 35.079 -1.304 642 HE3 LYS 81 HE3 LYS 81 -13.075 34.079 -2.160 643 HZ1 LYS 81 HZ1 LYS 81 -13.748 36.042 -0.498 644 HZ2 LYS 81 HZ2 LYS 81 -13.749 34.743 0.584 645 HZ3 LYS 81 HZ3 LYS 81 -14.731 34.698 -0.792 646 H SER 82 H SER 82 -10.475 29.943 -3.605 647 HA SER 82 HA SER 82 -7.745 30.813 -4.273 648 HB2 SER 82 HB2 SER 82 -7.306 28.973 -5.583 649 HB3 SER 82 HB3 SER 82 -8.333 28.222 -4.363 650 HG SER 82 HG SER 82 -10.110 28.612 -5.833 651 H GLU 83 H GLU 83 -7.807 30.727 -6.962 652 HA GLU 83 HA GLU 83 -9.212 33.038 -7.671 653 HB2 GLU 83 HB2 GLU 83 -8.614 32.447 -10.007 654 HB3 GLU 83 HB3 GLU 83 -7.251 32.362 -8.902 655 HG2 GLU 83 HG2 GLU 83 -7.885 29.844 -8.744 656 HG3 GLU 83 HG3 GLU 83 -8.724 30.156 -10.262 657 H PHE 84 H PHE 84 -10.159 29.707 -7.671 658 HA PHE 84 HA PHE 84 -12.538 30.259 -9.274 659 HB2 PHE 84 HB2 PHE 84 -11.726 27.625 -8.040 660 HB3 PHE 84 HB3 PHE 84 -12.881 27.890 -9.343 661 HD1 PHE 84 HD1 PHE 84 -11.638 29.477 -11.281 662 HD2 PHE 84 HD2 PHE 84 -9.841 26.556 -8.762 663 HE1 PHE 84 HE1 PHE 84 -9.845 29.160 -12.935 664 HE2 PHE 84 HE2 PHE 84 -8.044 26.233 -10.412 665 HZ PHE 84 HZ PHE 84 -8.045 27.536 -12.502 666 H GLY 85 H GLY 85 -11.559 30.108 -6.021 667 HA2 GLY 85 HA2 GLY 85 -13.244 31.071 -4.467 668 HA3 GLY 85 HA3 GLY 85 -14.382 29.927 -5.162 669 H TYR 86 H TYR 86 -14.816 29.055 -3.103 670 HA TYR 86 HA TYR 86 -12.696 27.901 -1.536 671 HB2 TYR 86 HB2 TYR 86 -15.705 27.738 -1.293 672 HB3 TYR 86 HB3 TYR 86 -14.584 27.023 -0.140 673 HD1 TYR 86 HD2 TYR 86 -12.693 28.803 0.656 674 HD2 TYR 86 HD1 TYR 86 -16.612 29.764 -0.693 675 HE1 TYR 86 HE2 TYR 86 -12.585 30.935 1.879 676 HE2 TYR 86 HE1 TYR 86 -16.514 31.898 0.526 677 HH TYR 86 HH TYR 86 -13.670 32.777 2.465 678 H HIS 87 H HIS 87 -11.813 25.978 -1.850 679 HA HIS 87 HA HIS 87 -13.179 24.052 -3.586 680 HB2 HIS 87 HB2 HIS 87 -10.304 24.354 -2.725 681 HB3 HIS 87 HB3 HIS 87 -10.891 22.912 -3.549 682 HD1 HIS 87 HD1 HIS 87 -11.323 23.080 -6.056 683 HD2 HIS 87 HD2 HIS 87 -10.223 26.693 -4.325 684 HE1 HIS 87 HE1 HIS 87 -10.854 24.631 -7.978 685 H ILE 88 H ILE 88 -14.143 22.327 -2.756 686 HA ILE 88 HA ILE 88 -13.429 21.506 -0.018 687 HB ILE 88 HB ILE 88 -16.058 21.163 -1.466 688 HG12 ILE 88 HG12 ILE 88 -15.578 23.473 -0.695 689 HG13 ILE 88 HG13 ILE 88 -16.940 22.746 0.152 690 HG21 ILE 88 HG21 ILE 88 -16.453 19.493 -0.056 691 HG22 ILE 88 HG22 ILE 88 -14.925 19.768 0.777 692 HG23 ILE 88 HG23 ILE 88 -16.368 20.655 1.267 693 HD11 ILE 88 HD11 ILE 88 -14.135 22.973 1.216 694 HD12 ILE 88 HD12 ILE 88 -15.500 23.999 1.661 695 HD13 ILE 88 HD13 ILE 88 -15.517 22.282 2.065 696 H ILE 89 H ILE 89 -11.764 20.112 -0.745 697 HA ILE 89 HA ILE 89 -12.379 17.958 -2.563 698 HB ILE 89 HB ILE 89 -9.931 18.187 -0.821 699 HG12 ILE 89 HG12 ILE 89 -9.268 19.077 -3.379 700 HG13 ILE 89 HG13 ILE 89 -10.798 19.874 -3.026 701 HG21 ILE 89 HG21 ILE 89 -10.810 16.229 -2.601 702 HG22 ILE 89 HG22 ILE 89 -9.567 17.125 -3.475 703 HG23 ILE 89 HG23 ILE 89 -9.194 16.397 -1.912 704 HD11 ILE 89 HD11 ILE 89 -9.412 20.243 -0.707 705 HD12 ILE 89 HD12 ILE 89 -8.140 20.337 -1.926 706 HD13 ILE 89 HD13 ILE 89 -9.537 21.410 -2.023 707 H LYS 90 H LYS 90 -12.876 15.892 -2.079 708 HA LYS 90 HA LYS 90 -12.764 15.033 0.725 709 HB2 LYS 90 HB2 LYS 90 -15.055 15.799 0.308 710 HB3 LYS 90 HB3 LYS 90 -15.167 14.732 -1.087 711 HG2 LYS 90 HG2 LYS 90 -14.813 12.805 0.460 712 HG3 LYS 90 HG3 LYS 90 -14.933 13.940 1.806 713 HD2 LYS 90 HD2 LYS 90 -17.182 14.500 1.224 714 HD3 LYS 90 HD3 LYS 90 -17.071 13.605 -0.293 715 HE2 LYS 90 HE2 LYS 90 -16.825 11.518 0.957 716 HE3 LYS 90 HE3 LYS 90 -16.919 12.410 2.475 717 HZ1 LYS 90 HZ1 LYS 90 -19.033 11.695 0.607 718 HZ2 LYS 90 HZ2 LYS 90 -19.156 13.222 1.323 719 HZ3 LYS 90 HZ3 LYS 90 -19.079 11.838 2.292 720 H ARG 91 H ARG 91 -11.656 13.205 0.855 721 HA ARG 91 HA ARG 91 -10.917 11.683 -1.415 722 HB2 ARG 91 HB2 ARG 91 -9.515 11.835 0.597 723 HB3 ARG 91 HB3 ARG 91 -10.739 10.972 1.519 724 HG2 ARG 91 HG2 ARG 91 -10.296 8.956 0.470 725 HG3 ARG 91 HG3 ARG 91 -9.527 9.733 -0.916 726 HD2 ARG 91 HD2 ARG 91 -7.563 10.169 0.269 727 HD3 ARG 91 HD3 ARG 91 -8.350 9.953 1.832 728 HE ARG 91 HE ARG 91 -8.558 7.507 0.730 729 HH11 ARG 91 HH11 ARG 91 -5.875 9.689 1.129 730 HH12 ARG 91 HH12 ARG 91 -4.696 8.425 1.249 731 HH21 ARG 91 HH21 ARG 91 -7.015 5.833 0.886 732 HH22 ARG 91 HH22 ARG 91 -5.345 6.232 1.110 733 H PHE 92 H PHE 92 -11.571 9.662 -2.109 734 HA PHE 92 HA PHE 92 -14.056 8.628 -0.912 735 HB2 PHE 92 HB2 PHE 92 -13.393 9.246 -3.746 736 HB3 PHE 92 HB3 PHE 92 -14.362 7.810 -3.438 737 HD1 PHE 92 HD1 PHE 92 -14.263 11.283 -2.071 738 HD2 PHE 92 HD2 PHE 92 -16.596 8.159 -3.776 739 HE1 PHE 92 HE1 PHE 92 -16.274 12.689 -1.885 740 HE2 PHE 92 HE2 PHE 92 -18.611 9.560 -3.593 741 HZ PHE 92 HZ PHE 92 -18.451 11.828 -2.648 742 H GLY 93 H GLY 93 -11.025 7.922 -2.530 743 HA2 GLY 93 HA2 GLY 93 -9.829 5.975 -2.769 744 HA3 GLY 93 HA3 GLY 93 -10.483 5.577 -1.188 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -2.554 0.192 0.437 2 HA2 GLY 1 HA2 GLY 1 -0.176 -0.025 0.777 3 HA3 GLY 1 HA3 GLY 1 -0.055 -0.722 -0.832 4 HA PRO 2 HA PRO 2 1.187 3.755 -1.031 5 HB2 PRO 2 HB2 PRO 2 3.490 3.308 -2.397 6 HB3 PRO 2 HB3 PRO 2 3.395 3.260 -0.632 7 HG2 PRO 2 HG2 PRO 2 3.377 0.998 -2.593 8 HG3 PRO 2 HG3 PRO 2 4.243 1.135 -1.051 9 HD2 PRO 2 HD2 PRO 2 1.939 -0.264 -1.309 10 HD3 PRO 2 HD3 PRO 2 2.379 0.583 0.188 11 H SER 3 H SER 3 -0.036 4.695 -2.544 12 HA SER 3 HA SER 3 0.180 3.717 -5.316 13 HB2 SER 3 HB2 SER 3 -2.140 4.607 -5.640 14 HB3 SER 3 HB3 SER 3 -2.048 3.265 -4.499 15 HG SER 3 HG SER 3 -1.922 5.938 -3.613 16 H ASN 4 H ASN 4 -0.054 5.334 -6.991 17 HA ASN 4 HA ASN 4 1.263 7.814 -6.244 18 HB2 ASN 4 HB2 ASN 4 0.680 6.441 -8.853 19 HB3 ASN 4 HB3 ASN 4 1.176 8.130 -8.823 20 HD21 ASN 4 HD21 ASN 4 2.145 4.856 -8.405 21 HD22 ASN 4 HD22 ASN 4 3.836 5.154 -8.208 22 H LYS 5 H LYS 5 -1.870 6.683 -7.186 23 HA LYS 5 HA LYS 5 -2.853 9.460 -7.138 24 HB2 LYS 5 HB2 LYS 5 -4.748 8.274 -8.626 25 HB3 LYS 5 HB3 LYS 5 -3.334 9.056 -9.320 26 HG2 LYS 5 HG2 LYS 5 -2.201 6.900 -9.458 27 HG3 LYS 5 HG3 LYS 5 -3.613 6.112 -8.750 28 HD2 LYS 5 HD2 LYS 5 -3.961 5.758 -11.005 29 HD3 LYS 5 HD3 LYS 5 -4.888 7.235 -10.727 30 HE2 LYS 5 HE2 LYS 5 -3.124 8.584 -11.623 31 HE3 LYS 5 HE3 LYS 5 -2.038 7.198 -11.708 32 HZ1 LYS 5 HZ1 LYS 5 -3.521 8.095 -13.754 33 HZ2 LYS 5 HZ2 LYS 5 -4.522 6.874 -13.147 34 HZ3 LYS 5 HZ3 LYS 5 -2.939 6.511 -13.623 35 H ILE 6 H ILE 6 -5.142 9.654 -6.496 36 HA ILE 6 HA ILE 6 -6.262 7.425 -5.009 37 HB ILE 6 HB ILE 6 -6.545 8.748 -2.942 38 HG12 ILE 6 HG12 ILE 6 -4.404 10.634 -3.811 39 HG13 ILE 6 HG13 ILE 6 -6.044 10.936 -4.376 40 HG21 ILE 6 HG21 ILE 6 -4.730 7.132 -3.123 41 HG22 ILE 6 HG22 ILE 6 -3.678 8.375 -3.799 42 HG23 ILE 6 HG23 ILE 6 -4.247 8.512 -2.135 43 HD11 ILE 6 HD11 ILE 6 -5.157 10.717 -1.510 44 HD12 ILE 6 HD12 ILE 6 -5.597 12.194 -2.367 45 HD13 ILE 6 HD13 ILE 6 -6.818 10.963 -2.048 46 H LYS 7 H LYS 7 -8.469 7.675 -4.510 47 HA LYS 7 HA LYS 7 -9.915 9.300 -6.348 48 HB2 LYS 7 HB2 LYS 7 -10.456 7.078 -4.649 49 HB3 LYS 7 HB3 LYS 7 -11.633 8.332 -4.287 50 HG2 LYS 7 HG2 LYS 7 -11.858 8.436 -6.898 51 HG3 LYS 7 HG3 LYS 7 -11.204 6.799 -6.799 52 HD2 LYS 7 HD2 LYS 7 -13.283 6.101 -6.395 53 HD3 LYS 7 HD3 LYS 7 -13.162 6.896 -4.824 54 HE2 LYS 7 HE2 LYS 7 -15.062 7.879 -5.649 55 HE3 LYS 7 HE3 LYS 7 -13.840 9.023 -6.203 56 HZ1 LYS 7 HZ1 LYS 7 -13.960 8.219 -8.367 57 HZ2 LYS 7 HZ2 LYS 7 -15.577 8.242 -7.871 58 HZ3 LYS 7 HZ3 LYS 7 -14.725 6.780 -7.910 59 H CYS 8 H CYS 8 -11.304 11.034 -5.939 60 HA CYS 8 HA CYS 8 -11.839 12.154 -3.435 61 HB2 CYS 8 HB2 CYS 8 -10.350 14.183 -3.604 62 HB3 CYS 8 HB3 CYS 8 -9.522 12.682 -3.208 63 HG CYS 8 HG CYS 8 -8.794 14.781 -5.539 64 H SER 9 H SER 9 -12.952 14.200 -3.574 65 HA SER 9 HA SER 9 -13.893 14.781 -6.307 66 HB2 SER 9 HB2 SER 9 -15.449 15.128 -3.735 67 HB3 SER 9 HB3 SER 9 -16.058 15.350 -5.374 68 HG SER 9 HG SER 9 -15.335 13.026 -5.604 69 H HIS 10 H HIS 10 -15.307 17.075 -5.836 70 HA HIS 10 HA HIS 10 -13.881 19.010 -4.326 71 HB2 HIS 10 HB2 HIS 10 -12.946 20.314 -6.190 72 HB3 HIS 10 HB3 HIS 10 -12.216 18.714 -6.098 73 HD1 HIS 10 HD1 HIS 10 -13.689 20.993 -8.445 74 HD2 HIS 10 HD2 HIS 10 -13.509 16.860 -8.053 75 HE1 HIS 10 HE1 HIS 10 -14.235 20.076 -10.723 76 H ILE 11 H ILE 11 -14.934 20.996 -4.262 77 HA ILE 11 HA ILE 11 -17.210 21.423 -6.034 78 HB ILE 11 HB ILE 11 -17.477 21.275 -3.031 79 HG12 ILE 11 HG12 ILE 11 -18.898 19.740 -5.217 80 HG13 ILE 11 HG13 ILE 11 -17.556 19.114 -4.266 81 HG21 ILE 11 HG21 ILE 11 -19.850 21.887 -3.436 82 HG22 ILE 11 HG22 ILE 11 -18.713 23.182 -3.807 83 HG23 ILE 11 HG23 ILE 11 -19.431 22.240 -5.113 84 HD11 ILE 11 HD11 ILE 11 -20.247 19.940 -3.201 85 HD12 ILE 11 HD12 ILE 11 -19.674 18.288 -3.435 86 HD13 ILE 11 HD13 ILE 11 -18.901 19.329 -2.239 87 H LEU 12 H LEU 12 -17.274 23.477 -6.653 88 HA LEU 12 HA LEU 12 -15.794 25.461 -5.072 89 HB2 LEU 12 HB2 LEU 12 -16.369 25.109 -7.957 90 HB3 LEU 12 HB3 LEU 12 -16.272 26.762 -7.353 91 HG LEU 12 HG LEU 12 -14.147 26.080 -8.288 92 HD11 LEU 12 HD11 LEU 12 -13.689 26.021 -5.338 93 HD12 LEU 12 HD12 LEU 12 -14.389 27.452 -6.094 94 HD13 LEU 12 HD13 LEU 12 -12.800 26.879 -6.598 95 HD21 LEU 12 HD21 LEU 12 -13.549 24.093 -6.212 96 HD22 LEU 12 HD22 LEU 12 -13.136 24.107 -7.927 97 HD23 LEU 12 HD23 LEU 12 -14.739 23.583 -7.410 98 H VAL 13 H VAL 13 -16.771 27.214 -4.221 99 HA VAL 13 HA VAL 13 -19.573 27.738 -4.938 100 HB VAL 13 HB VAL 13 -20.142 28.138 -2.597 101 HG11 VAL 13 HG11 VAL 13 -20.264 25.859 -1.876 102 HG12 VAL 13 HG12 VAL 13 -20.429 25.885 -3.633 103 HG13 VAL 13 HG13 VAL 13 -18.898 25.409 -2.898 104 HG21 VAL 13 HG21 VAL 13 -17.815 28.745 -1.900 105 HG22 VAL 13 HG22 VAL 13 -18.653 27.658 -0.792 106 HG23 VAL 13 HG23 VAL 13 -17.431 27.024 -1.895 107 H SER 14 H SER 14 -20.178 29.865 -3.485 108 HA SER 14 HA SER 14 -18.130 31.846 -4.230 109 HB2 SER 14 HB2 SER 14 -20.525 31.808 -5.306 110 HB3 SER 14 HB3 SER 14 -21.005 32.578 -3.794 111 HG SER 14 HG SER 14 -19.217 34.095 -4.277 112 H LYS 15 H LYS 15 -19.972 30.527 -1.658 113 HA LYS 15 HA LYS 15 -18.807 32.508 0.174 114 HB2 LYS 15 HB2 LYS 15 -20.836 32.549 1.500 115 HB3 LYS 15 HB3 LYS 15 -21.204 33.013 -0.155 116 HG2 LYS 15 HG2 LYS 15 -21.739 30.439 -0.384 117 HG3 LYS 15 HG3 LYS 15 -21.989 30.584 1.357 118 HD2 LYS 15 HD2 LYS 15 -23.297 32.373 -0.688 119 HD3 LYS 15 HD3 LYS 15 -24.049 30.919 -0.026 120 HE2 LYS 15 HE2 LYS 15 -23.589 31.977 2.270 121 HE3 LYS 15 HE3 LYS 15 -23.330 33.474 1.376 122 HZ1 LYS 15 HZ1 LYS 15 -25.512 33.763 1.409 123 HZ2 LYS 15 HZ2 LYS 15 -25.768 32.245 2.110 124 HZ3 LYS 15 HZ3 LYS 15 -25.694 32.397 0.427 125 H GLN 16 H GLN 16 -18.142 31.728 2.165 126 HA GLN 16 HA GLN 16 -17.295 29.060 2.282 127 HB2 GLN 16 HB2 GLN 16 -16.851 29.582 4.720 128 HB3 GLN 16 HB3 GLN 16 -16.090 30.656 3.554 129 HG2 GLN 16 HG2 GLN 16 -17.350 32.439 4.159 130 HG3 GLN 16 HG3 GLN 16 -18.744 31.451 4.588 131 HE21 GLN 16 HE21 GLN 16 -18.798 30.445 6.626 132 HE22 GLN 16 HE22 GLN 16 -17.825 31.014 7.935 133 H SER 17 H SER 17 -20.241 30.590 3.310 134 HA SER 17 HA SER 17 -21.148 28.675 5.151 135 HB2 SER 17 HB2 SER 17 -22.108 31.016 4.592 136 HB3 SER 17 HB3 SER 17 -23.007 30.181 3.325 137 HG SER 17 HG SER 17 -24.320 30.106 5.062 138 H GLU 18 H GLU 18 -20.930 28.619 1.712 139 HA GLU 18 HA GLU 18 -22.778 26.378 1.468 140 HB2 GLU 18 HB2 GLU 18 -21.233 28.009 -0.542 141 HB3 GLU 18 HB3 GLU 18 -22.112 26.554 -0.990 142 HG2 GLU 18 HG2 GLU 18 -24.193 27.524 -0.321 143 HG3 GLU 18 HG3 GLU 18 -23.372 28.931 0.354 144 H ALA 19 H ALA 19 -19.344 27.097 0.931 145 HA ALA 19 HA ALA 19 -18.602 24.492 0.137 146 HB1 ALA 19 HB1 ALA 19 -16.347 25.610 1.304 147 HB2 ALA 19 HB2 ALA 19 -16.815 25.705 -0.395 148 HB3 ALA 19 HB3 ALA 19 -17.272 26.994 0.720 149 H LEU 20 H LEU 20 -18.400 26.142 3.284 150 HA LEU 20 HA LEU 20 -17.357 23.877 4.656 151 HB2 LEU 20 HB2 LEU 20 -17.346 26.420 5.268 152 HB3 LEU 20 HB3 LEU 20 -18.880 26.035 6.046 153 HG LEU 20 HG LEU 20 -17.672 24.314 7.399 154 HD11 LEU 20 HD11 LEU 20 -15.259 24.390 7.513 155 HD12 LEU 20 HD12 LEU 20 -15.211 25.638 6.269 156 HD13 LEU 20 HD13 LEU 20 -15.770 24.014 5.867 157 HD21 LEU 20 HD21 LEU 20 -17.939 26.068 8.772 158 HD22 LEU 20 HD22 LEU 20 -17.378 27.227 7.567 159 HD23 LEU 20 HD23 LEU 20 -16.210 26.312 8.521 160 H ALA 21 H ALA 21 -20.479 24.745 3.607 161 HA ALA 21 HA ALA 21 -22.046 23.490 5.599 162 HB1 ALA 21 HB1 ALA 21 -23.557 24.619 4.421 163 HB2 ALA 21 HB2 ALA 21 -22.483 24.739 3.027 164 HB3 ALA 21 HB3 ALA 21 -23.496 23.312 3.239 165 H ILE 22 H ILE 22 -20.185 22.270 2.964 166 HA ILE 22 HA ILE 22 -21.475 19.876 2.389 167 HB ILE 22 HB ILE 22 -18.497 20.381 2.462 168 HG12 ILE 22 HG12 ILE 22 -19.687 21.962 1.018 169 HG13 ILE 22 HG13 ILE 22 -18.743 20.830 0.056 170 HG21 ILE 22 HG21 ILE 22 -18.649 18.554 0.612 171 HG22 ILE 22 HG22 ILE 22 -18.639 18.085 2.311 172 HG23 ILE 22 HG23 ILE 22 -20.159 18.131 1.419 173 HD11 ILE 22 HD11 ILE 22 -20.810 21.078 -1.037 174 HD12 ILE 22 HD12 ILE 22 -20.868 19.507 -0.237 175 HD13 ILE 22 HD13 ILE 22 -21.714 20.886 0.465 176 H MET 23 H MET 23 -19.372 20.728 5.068 177 HA MET 23 HA MET 23 -19.185 18.022 6.040 178 HB2 MET 23 HB2 MET 23 -18.539 20.442 7.689 179 HB3 MET 23 HB3 MET 23 -17.782 18.855 7.709 180 HG2 MET 23 HG2 MET 23 -16.838 19.335 5.468 181 HG3 MET 23 HG3 MET 23 -17.503 20.963 5.582 182 HE1 MET 23 HE1 MET 23 -15.687 22.617 8.399 183 HE2 MET 23 HE2 MET 23 -17.303 22.158 7.860 184 HE3 MET 23 HE3 MET 23 -16.522 21.264 9.165 185 H GLU 24 H GLU 24 -21.462 20.522 6.240 186 HA GLU 24 HA GLU 24 -22.555 19.625 8.792 187 HB2 GLU 24 HB2 GLU 24 -23.828 21.696 7.032 188 HB3 GLU 24 HB3 GLU 24 -23.887 21.544 8.782 189 HG2 GLU 24 HG2 GLU 24 -21.430 22.293 7.216 190 HG3 GLU 24 HG3 GLU 24 -22.519 23.442 7.990 191 H LYS 25 H LYS 25 -23.809 20.155 5.492 192 HA LYS 25 HA LYS 25 -26.232 18.828 5.821 193 HB2 LYS 25 HB2 LYS 25 -24.510 19.373 3.421 194 HB3 LYS 25 HB3 LYS 25 -26.000 18.452 3.265 195 HG2 LYS 25 HG2 LYS 25 -27.159 20.407 4.384 196 HG3 LYS 25 HG3 LYS 25 -25.662 21.307 4.130 197 HD2 LYS 25 HD2 LYS 25 -26.901 21.856 2.250 198 HD3 LYS 25 HD3 LYS 25 -25.904 20.521 1.668 199 HE2 LYS 25 HE2 LYS 25 -27.998 19.942 0.883 200 HE3 LYS 25 HE3 LYS 25 -27.910 19.044 2.398 201 HZ1 LYS 25 HZ1 LYS 25 -29.888 20.009 2.758 202 HZ2 LYS 25 HZ2 LYS 25 -29.614 21.268 1.664 203 HZ3 LYS 25 HZ3 LYS 25 -28.968 21.349 3.224 204 H LEU 26 H LEU 26 -23.183 17.558 4.483 205 HA LEU 26 HA LEU 26 -24.082 14.927 4.100 206 HB2 LEU 26 HB2 LEU 26 -21.295 15.938 4.647 207 HB3 LEU 26 HB3 LEU 26 -21.691 14.328 4.049 208 HG LEU 26 HG LEU 26 -22.055 16.949 2.604 209 HD11 LEU 26 HD11 LEU 26 -20.286 14.560 2.116 210 HD12 LEU 26 HD12 LEU 26 -19.777 16.180 2.588 211 HD13 LEU 26 HD13 LEU 26 -20.488 15.908 0.998 212 HD21 LEU 26 HD21 LEU 26 -23.059 14.192 2.003 213 HD22 LEU 26 HD22 LEU 26 -22.689 15.325 0.702 214 HD23 LEU 26 HD23 LEU 26 -23.909 15.734 1.908 215 H LYS 27 H LYS 27 -23.049 16.617 6.936 216 HA LYS 27 HA LYS 27 -22.238 14.522 8.578 217 HB2 LYS 27 HB2 LYS 27 -22.644 17.232 8.885 218 HB3 LYS 27 HB3 LYS 27 -23.857 16.537 9.953 219 HG2 LYS 27 HG2 LYS 27 -22.173 15.323 11.161 220 HG3 LYS 27 HG3 LYS 27 -20.928 15.843 10.023 221 HD2 LYS 27 HD2 LYS 27 -20.751 17.893 10.954 222 HD3 LYS 27 HD3 LYS 27 -22.482 18.007 11.282 223 HE2 LYS 27 HE2 LYS 27 -22.055 16.260 13.107 224 HE3 LYS 27 HE3 LYS 27 -20.349 16.647 12.900 225 HZ1 LYS 27 HZ1 LYS 27 -21.889 17.914 14.617 226 HZ2 LYS 27 HZ2 LYS 27 -22.181 18.886 13.264 227 HZ3 LYS 27 HZ3 LYS 27 -20.600 18.678 13.830 228 H SER 28 H SER 28 -25.383 15.362 7.428 229 HA SER 28 HA SER 28 -26.811 13.868 9.440 230 HB2 SER 28 HB2 SER 28 -27.629 15.256 6.893 231 HB3 SER 28 HB3 SER 28 -28.761 14.259 7.807 232 HG SER 28 HG SER 28 -28.018 15.661 9.655 233 H GLY 29 H GLY 29 -25.321 13.222 6.403 234 HA2 GLY 29 HA2 GLY 29 -24.840 10.838 5.994 235 HA3 GLY 29 HA3 GLY 29 -26.511 10.516 6.432 236 H GLU 30 H GLU 30 -25.579 13.246 4.455 237 HA GLU 30 HA GLU 30 -27.263 12.260 2.314 238 HB2 GLU 30 HB2 GLU 30 -25.658 14.802 2.240 239 HB3 GLU 30 HB3 GLU 30 -27.159 14.430 1.406 240 HG2 GLU 30 HG2 GLU 30 -26.880 14.773 4.383 241 HG3 GLU 30 HG3 GLU 30 -27.453 16.011 3.265 242 H LYS 31 H LYS 31 -26.089 13.304 0.071 243 HA LYS 31 HA LYS 31 -23.673 11.639 -0.201 244 HB2 LYS 31 HB2 LYS 31 -25.926 11.174 -1.509 245 HB3 LYS 31 HB3 LYS 31 -25.312 12.435 -2.569 246 HG2 LYS 31 HG2 LYS 31 -23.551 11.162 -3.297 247 HG3 LYS 31 HG3 LYS 31 -23.521 10.173 -1.835 248 HD2 LYS 31 HD2 LYS 31 -25.480 8.982 -2.520 249 HD3 LYS 31 HD3 LYS 31 -25.737 10.083 -3.876 250 HE2 LYS 31 HE2 LYS 31 -24.729 8.361 -4.980 251 HE3 LYS 31 HE3 LYS 31 -23.299 9.281 -4.515 252 HZ1 LYS 31 HZ1 LYS 31 -22.807 7.799 -2.811 253 HZ2 LYS 31 HZ2 LYS 31 -23.302 6.789 -4.073 254 HZ3 LYS 31 HZ3 LYS 31 -24.359 7.126 -2.796 255 H PHE 32 H PHE 32 -21.834 12.568 -0.863 256 HA PHE 32 HA PHE 32 -21.442 15.302 -0.862 257 HB2 PHE 32 HB2 PHE 32 -19.622 13.660 -0.640 258 HB3 PHE 32 HB3 PHE 32 -19.811 13.225 -2.336 259 HD1 PHE 32 HD1 PHE 32 -19.331 14.956 -4.092 260 HD2 PHE 32 HD2 PHE 32 -18.307 15.487 0.006 261 HE1 PHE 32 HE1 PHE 32 -17.738 16.721 -4.723 262 HE2 PHE 32 HE2 PHE 32 -16.711 17.253 -0.619 263 HZ PHE 32 HZ PHE 32 -16.425 17.873 -2.985 264 H GLY 33 H GLY 33 -22.012 13.152 -3.623 265 HA2 GLY 33 HA2 GLY 33 -21.656 15.010 -5.677 266 HA3 GLY 33 HA3 GLY 33 -22.691 13.593 -5.770 267 H LYS 34 H LYS 34 -24.540 14.283 -3.760 268 HA LYS 34 HA LYS 34 -26.428 15.724 -5.176 269 HB2 LYS 34 HB2 LYS 34 -26.165 15.322 -2.194 270 HB3 LYS 34 HB3 LYS 34 -27.593 15.996 -2.968 271 HG2 LYS 34 HG2 LYS 34 -26.557 13.345 -3.858 272 HG3 LYS 34 HG3 LYS 34 -27.491 13.466 -2.365 273 HD2 LYS 34 HD2 LYS 34 -28.564 14.797 -4.799 274 HD3 LYS 34 HD3 LYS 34 -28.647 13.036 -4.713 275 HE2 LYS 34 HE2 LYS 34 -29.690 13.360 -2.414 276 HE3 LYS 34 HE3 LYS 34 -29.866 15.058 -2.850 277 HZ1 LYS 34 HZ1 LYS 34 -30.983 14.039 -4.958 278 HZ2 LYS 34 HZ2 LYS 34 -31.864 14.221 -3.526 279 HZ3 LYS 34 HZ3 LYS 34 -31.236 12.708 -3.945 280 H LEU 35 H LEU 35 -23.851 16.866 -3.145 281 HA LEU 35 HA LEU 35 -24.906 19.590 -3.149 282 HB2 LEU 35 HB2 LEU 35 -22.274 18.795 -1.976 283 HB3 LEU 35 HB3 LEU 35 -23.356 20.101 -1.498 284 HG LEU 35 HG LEU 35 -23.716 17.156 -0.960 285 HD11 LEU 35 HD11 LEU 35 -23.635 17.943 1.405 286 HD12 LEU 35 HD12 LEU 35 -23.154 19.530 0.805 287 HD13 LEU 35 HD13 LEU 35 -22.119 18.129 0.524 288 HD21 LEU 35 HD21 LEU 35 -25.902 17.786 -1.227 289 HD22 LEU 35 HD22 LEU 35 -25.593 19.461 -0.769 290 HD23 LEU 35 HD23 LEU 35 -25.657 18.205 0.469 291 H ALA 36 H ALA 36 -22.452 17.627 -4.639 292 HA ALA 36 HA ALA 36 -20.928 19.813 -5.698 293 HB1 ALA 36 HB1 ALA 36 -19.860 18.025 -7.091 294 HB2 ALA 36 HB2 ALA 36 -19.789 17.751 -5.349 295 HB3 ALA 36 HB3 ALA 36 -20.957 16.870 -6.333 296 H LYS 37 H LYS 37 -23.805 18.183 -6.605 297 HA LYS 37 HA LYS 37 -23.635 18.941 -9.401 298 HB2 LYS 37 HB2 LYS 37 -24.896 16.889 -8.115 299 HB3 LYS 37 HB3 LYS 37 -26.226 18.016 -8.352 300 HG2 LYS 37 HG2 LYS 37 -25.272 18.097 -10.805 301 HG3 LYS 37 HG3 LYS 37 -24.624 16.517 -10.355 302 HD2 LYS 37 HD2 LYS 37 -26.732 15.593 -10.068 303 HD3 LYS 37 HD3 LYS 37 -27.499 17.165 -9.834 304 HE2 LYS 37 HE2 LYS 37 -28.189 16.529 -11.966 305 HE3 LYS 37 HE3 LYS 37 -26.839 17.619 -12.276 306 HZ1 LYS 37 HZ1 LYS 37 -26.371 15.852 -13.646 307 HZ2 LYS 37 HZ2 LYS 37 -26.961 14.694 -12.563 308 HZ3 LYS 37 HZ3 LYS 37 -25.471 15.442 -12.272 309 H GLU 38 H GLU 38 -24.089 20.698 -6.772 310 HA GLU 38 HA GLU 38 -25.880 22.562 -8.148 311 HB2 GLU 38 HB2 GLU 38 -26.139 22.020 -5.192 312 HB3 GLU 38 HB3 GLU 38 -27.200 22.984 -6.209 313 HG2 GLU 38 HG2 GLU 38 -27.396 20.615 -7.457 314 HG3 GLU 38 HG3 GLU 38 -27.090 20.071 -5.809 315 H LEU 39 H LEU 39 -24.078 22.291 -5.078 316 HA LEU 39 HA LEU 39 -23.426 24.982 -4.833 317 HB2 LEU 39 HB2 LEU 39 -21.899 22.559 -3.894 318 HB3 LEU 39 HB3 LEU 39 -21.582 24.211 -3.365 319 HG LEU 39 HG LEU 39 -24.046 22.561 -2.820 320 HD11 LEU 39 HD11 LEU 39 -21.582 22.878 -1.459 321 HD12 LEU 39 HD12 LEU 39 -23.017 21.991 -0.945 322 HD13 LEU 39 HD13 LEU 39 -22.831 23.692 -0.517 323 HD21 LEU 39 HD21 LEU 39 -23.571 25.473 -2.704 324 HD22 LEU 39 HD22 LEU 39 -24.368 24.753 -1.305 325 HD23 LEU 39 HD23 LEU 39 -25.072 24.573 -2.914 326 H SER 40 H SER 40 -21.525 22.351 -6.284 327 HA SER 40 HA SER 40 -19.245 23.746 -6.962 328 HB2 SER 40 HB2 SER 40 -19.899 21.226 -7.296 329 HB3 SER 40 HB3 SER 40 -20.384 21.765 -8.904 330 HG SER 40 HG SER 40 -17.953 21.189 -8.059 331 H ILE 41 H ILE 41 -19.236 25.699 -7.879 332 HA ILE 41 HA ILE 41 -21.179 26.489 -9.845 333 HB ILE 41 HB ILE 41 -19.836 28.587 -9.980 334 HG12 ILE 41 HG12 ILE 41 -18.265 27.905 -7.588 335 HG13 ILE 41 HG13 ILE 41 -17.773 27.047 -9.044 336 HG21 ILE 41 HG21 ILE 41 -21.115 29.309 -8.316 337 HG22 ILE 41 HG22 ILE 41 -21.446 27.628 -7.900 338 HG23 ILE 41 HG23 ILE 41 -20.113 28.482 -7.124 339 HD11 ILE 41 HD11 ILE 41 -18.049 29.639 -9.911 340 HD12 ILE 41 HD12 ILE 41 -17.377 29.816 -8.289 341 HD13 ILE 41 HD13 ILE 41 -16.538 28.834 -9.489 342 H ASP 42 H ASP 42 -18.033 25.086 -9.883 343 HA ASP 42 HA ASP 42 -17.102 25.934 -12.385 344 HB2 ASP 42 HB2 ASP 42 -15.603 24.811 -10.883 345 HB3 ASP 42 HB3 ASP 42 -16.620 23.373 -10.856 346 H SER 43 H SER 43 -18.152 25.759 -14.246 347 HA SER 43 HA SER 43 -20.315 24.149 -14.819 348 HB2 SER 43 HB2 SER 43 -18.366 24.833 -16.996 349 HB3 SER 43 HB3 SER 43 -20.128 24.867 -17.027 350 HG SER 43 HG SER 43 -20.127 26.802 -16.122 351 H GLY 44 H GLY 44 -16.881 23.438 -15.173 352 HA2 GLY 44 HA2 GLY 44 -17.463 20.833 -16.352 353 HA3 GLY 44 HA3 GLY 44 -15.870 21.534 -16.111 354 H SER 45 H SER 45 -18.478 21.091 -13.753 355 HA SER 45 HA SER 45 -17.080 18.902 -12.473 356 HB2 SER 45 HB2 SER 45 -15.899 20.823 -11.531 357 HB3 SER 45 HB3 SER 45 -17.432 21.560 -11.064 358 HG SER 45 HG SER 45 -16.465 20.469 -9.312 359 H ALA 46 H ALA 46 -19.684 21.294 -12.250 360 HA ALA 46 HA ALA 46 -21.319 19.881 -10.454 361 HB1 ALA 46 HB1 ALA 46 -21.427 22.335 -11.584 362 HB2 ALA 46 HB2 ALA 46 -22.703 21.507 -12.474 363 HB3 ALA 46 HB3 ALA 46 -22.765 21.585 -10.714 364 H LYS 47 H LYS 47 -20.563 19.284 -13.719 365 HA LYS 47 HA LYS 47 -23.000 17.831 -14.307 366 HB2 LYS 47 HB2 LYS 47 -21.450 19.171 -15.949 367 HB3 LYS 47 HB3 LYS 47 -20.530 17.672 -15.994 368 HG2 LYS 47 HG2 LYS 47 -21.920 17.342 -17.766 369 HG3 LYS 47 HG3 LYS 47 -22.893 16.623 -16.480 370 HD2 LYS 47 HD2 LYS 47 -24.390 17.992 -17.652 371 HD3 LYS 47 HD3 LYS 47 -23.947 18.943 -16.233 372 HE2 LYS 47 HE2 LYS 47 -22.251 20.113 -17.618 373 HE3 LYS 47 HE3 LYS 47 -22.841 19.229 -19.025 374 HZ1 LYS 47 HZ1 LYS 47 -24.253 20.909 -19.281 375 HZ2 LYS 47 HZ2 LYS 47 -23.933 21.541 -17.745 376 HZ3 LYS 47 HZ3 LYS 47 -25.088 20.320 -17.932 377 H LYS 48 H LYS 48 -19.907 17.200 -12.965 378 HA LYS 48 HA LYS 48 -20.409 14.301 -13.151 379 HB2 LYS 48 HB2 LYS 48 -17.872 14.142 -12.747 380 HB3 LYS 48 HB3 LYS 48 -18.423 14.622 -14.347 381 HG2 LYS 48 HG2 LYS 48 -17.918 16.816 -12.444 382 HG3 LYS 48 HG3 LYS 48 -16.505 15.906 -12.984 383 HD2 LYS 48 HD2 LYS 48 -18.488 16.814 -15.014 384 HD3 LYS 48 HD3 LYS 48 -17.374 17.999 -14.327 385 HE2 LYS 48 HE2 LYS 48 -15.516 16.966 -15.224 386 HE3 LYS 48 HE3 LYS 48 -16.313 15.397 -15.337 387 HZ1 LYS 48 HZ1 LYS 48 -17.789 16.916 -17.001 388 HZ2 LYS 48 HZ2 LYS 48 -16.513 15.917 -17.487 389 HZ3 LYS 48 HZ3 LYS 48 -16.245 17.567 -17.235 390 H ASN 49 H ASN 49 -21.291 16.318 -11.137 391 HA ASN 49 HA ASN 49 -21.437 16.581 -8.878 392 HB2 ASN 49 HB2 ASN 49 -20.689 13.650 -8.968 393 HB3 ASN 49 HB3 ASN 49 -21.364 14.477 -7.568 394 HD21 ASN 49 HD21 ASN 49 -23.508 15.307 -7.716 395 HD22 ASN 49 HD22 ASN 49 -24.644 14.597 -8.807 396 H GLY 50 H GLY 50 -18.865 17.182 -10.085 397 HA2 GLY 50 HA2 GLY 50 -16.714 17.696 -9.465 398 HA3 GLY 50 HA3 GLY 50 -17.350 17.735 -7.827 399 H ASN 51 H ASN 51 -17.493 14.811 -9.701 400 HA ASN 51 HA ASN 51 -15.631 13.569 -7.816 401 HB2 ASN 51 HB2 ASN 51 -18.061 12.724 -8.600 402 HB3 ASN 51 HB3 ASN 51 -17.076 11.920 -9.819 403 HD21 ASN 51 HD21 ASN 51 -14.811 11.355 -8.367 404 HD22 ASN 51 HD22 ASN 51 -15.195 10.207 -7.134 405 H LEU 52 H LEU 52 -13.784 14.584 -8.880 406 HA LEU 52 HA LEU 52 -13.094 14.045 -11.565 407 HB2 LEU 52 HB2 LEU 52 -10.789 14.681 -10.832 408 HB3 LEU 52 HB3 LEU 52 -12.043 15.868 -10.480 409 HG LEU 52 HG LEU 52 -12.025 14.628 -8.131 410 HD11 LEU 52 HD11 LEU 52 -9.175 14.523 -8.226 411 HD12 LEU 52 HD12 LEU 52 -9.837 13.439 -9.449 412 HD13 LEU 52 HD13 LEU 52 -10.320 13.263 -7.763 413 HD21 LEU 52 HD21 LEU 52 -11.168 16.561 -7.374 414 HD22 LEU 52 HD22 LEU 52 -11.238 17.053 -9.066 415 HD23 LEU 52 HD23 LEU 52 -9.730 16.439 -8.388 416 H GLY 53 H GLY 53 -13.062 12.092 -8.776 417 HA2 GLY 53 HA2 GLY 53 -12.573 9.838 -8.594 418 HA3 GLY 53 HA3 GLY 53 -12.025 9.861 -10.264 419 H TYR 54 H TYR 54 -10.031 9.058 -10.297 420 HA TYR 54 HA TYR 54 -8.202 9.518 -8.099 421 HB2 TYR 54 HB2 TYR 54 -8.345 7.704 -10.418 422 HB3 TYR 54 HB3 TYR 54 -6.721 8.219 -9.980 423 HD1 TYR 54 HD1 TYR 54 -9.624 7.570 -7.746 424 HD2 TYR 54 HD2 TYR 54 -5.771 6.306 -9.032 425 HE1 TYR 54 HE1 TYR 54 -9.582 5.891 -5.949 426 HE2 TYR 54 HE2 TYR 54 -5.719 4.622 -7.240 427 HH TYR 54 HH TYR 54 -6.765 3.780 -5.472 428 H PHE 55 H PHE 55 -6.444 10.821 -8.101 429 HA PHE 55 HA PHE 55 -5.704 12.192 -10.582 430 HB2 PHE 55 HB2 PHE 55 -5.991 14.330 -9.768 431 HB3 PHE 55 HB3 PHE 55 -7.336 13.509 -8.983 432 HD1 PHE 55 HD2 PHE 55 -6.232 12.177 -6.731 433 HD2 PHE 55 HD1 PHE 55 -5.142 15.945 -8.383 434 HE1 PHE 55 HE2 PHE 55 -5.388 12.892 -4.533 435 HE2 PHE 55 HE1 PHE 55 -4.294 16.665 -6.188 436 HZ PHE 55 HZ PHE 55 -4.416 15.138 -4.261 437 H THR 56 H THR 56 -3.723 13.741 -9.932 438 HA THR 56 HA THR 56 -1.952 12.428 -8.027 439 HB THR 56 HB THR 56 -0.158 12.072 -9.588 440 HG1 THR 56 HG1 THR 56 -0.298 13.573 -11.143 441 HG21 THR 56 HG21 THR 56 -1.726 10.234 -9.419 442 HG22 THR 56 HG22 THR 56 -1.153 10.365 -11.082 443 HG23 THR 56 HG23 THR 56 -2.757 10.961 -10.651 444 H LYS 57 H LYS 57 0.263 13.617 -8.067 445 HA LYS 57 HA LYS 57 -0.295 16.395 -7.617 446 HB2 LYS 57 HB2 LYS 57 2.425 15.093 -7.605 447 HB3 LYS 57 HB3 LYS 57 1.916 16.539 -6.745 448 HG2 LYS 57 HG2 LYS 57 0.205 14.760 -5.691 449 HG3 LYS 57 HG3 LYS 57 1.569 13.698 -6.051 450 HD2 LYS 57 HD2 LYS 57 2.093 16.297 -4.690 451 HD3 LYS 57 HD3 LYS 57 1.403 14.971 -3.751 452 HE2 LYS 57 HE2 LYS 57 3.663 14.631 -3.450 453 HE3 LYS 57 HE3 LYS 57 3.325 13.579 -4.824 454 HZ1 LYS 57 HZ1 LYS 57 5.293 14.821 -5.278 455 HZ2 LYS 57 HZ2 LYS 57 4.534 16.288 -4.910 456 HZ3 LYS 57 HZ3 LYS 57 4.068 15.417 -6.283 457 H GLY 58 H GLY 58 -0.439 17.788 -9.251 458 HA2 GLY 58 HA2 GLY 58 1.041 19.069 -10.794 459 HA3 GLY 58 HA3 GLY 58 1.491 17.512 -11.473 460 H MET 59 H MET 59 -1.776 17.680 -10.591 461 HA MET 59 HA MET 59 -2.537 18.304 -13.370 462 HB2 MET 59 HB2 MET 59 -3.622 16.184 -11.517 463 HB3 MET 59 HB3 MET 59 -4.466 16.700 -12.972 464 HG2 MET 59 HG2 MET 59 -1.633 15.871 -13.241 465 HG3 MET 59 HG3 MET 59 -2.837 14.618 -12.940 466 HE1 MET 59 HE1 MET 59 -4.736 14.017 -14.379 467 HE2 MET 59 HE2 MET 59 -4.588 14.074 -16.136 468 HE3 MET 59 HE3 MET 59 -3.355 13.260 -15.172 469 H MET 60 H MET 60 -2.641 19.442 -10.331 470 HA MET 60 HA MET 60 -5.171 20.853 -10.823 471 HB2 MET 60 HB2 MET 60 -4.264 19.876 -8.111 472 HB3 MET 60 HB3 MET 60 -5.758 20.729 -8.474 473 HG2 MET 60 HG2 MET 60 -5.118 18.087 -9.729 474 HG3 MET 60 HG3 MET 60 -5.862 18.202 -8.136 475 HE1 MET 60 HE1 MET 60 -6.521 17.044 -11.104 476 HE2 MET 60 HE2 MET 60 -7.887 16.585 -10.086 477 HE3 MET 60 HE3 MET 60 -8.163 17.471 -11.587 478 H VAL 61 H VAL 61 -5.180 22.565 -8.710 479 HA VAL 61 HA VAL 61 -2.843 24.232 -9.296 480 HB VAL 61 HB VAL 61 -4.114 26.106 -8.481 481 HG11 VAL 61 HG11 VAL 61 -5.519 26.302 -10.262 482 HG12 VAL 61 HG12 VAL 61 -4.624 24.870 -10.774 483 HG13 VAL 61 HG13 VAL 61 -6.216 24.699 -10.032 484 HG21 VAL 61 HG21 VAL 61 -6.265 24.125 -7.741 485 HG22 VAL 61 HG22 VAL 61 -5.221 24.982 -6.606 486 HG23 VAL 61 HG23 VAL 61 -6.373 25.878 -7.594 487 H LYS 62 H LYS 62 -2.100 25.652 -7.441 488 HA LYS 62 HA LYS 62 -1.021 24.085 -5.407 489 HB2 LYS 62 HB2 LYS 62 0.184 26.009 -5.641 490 HB3 LYS 62 HB3 LYS 62 -1.241 26.992 -5.952 491 HG2 LYS 62 HG2 LYS 62 -1.737 27.177 -3.655 492 HG3 LYS 62 HG3 LYS 62 -0.595 25.901 -3.229 493 HD2 LYS 62 HD2 LYS 62 1.259 27.333 -3.973 494 HD3 LYS 62 HD3 LYS 62 0.106 28.611 -4.359 495 HE2 LYS 62 HE2 LYS 62 0.075 27.455 -1.618 496 HE3 LYS 62 HE3 LYS 62 1.390 28.548 -2.049 497 HZ1 LYS 62 HZ1 LYS 62 0.031 30.240 -1.701 498 HZ2 LYS 62 HZ2 LYS 62 -1.243 29.191 -1.331 499 HZ3 LYS 62 HZ3 LYS 62 -0.998 29.694 -2.928 500 HA PRO 63 HA PRO 63 -4.353 25.886 -2.408 501 HB2 PRO 63 HB2 PRO 63 -6.425 27.244 -3.518 502 HB3 PRO 63 HB3 PRO 63 -4.922 28.028 -3.017 503 HG2 PRO 63 HG2 PRO 63 -5.787 27.163 -5.749 504 HG3 PRO 63 HG3 PRO 63 -4.984 28.664 -5.252 505 HD2 PRO 63 HD2 PRO 63 -3.643 26.601 -6.382 506 HD3 PRO 63 HD3 PRO 63 -2.903 27.676 -5.178 507 H PHE 64 H PHE 64 -4.314 23.454 -3.786 508 HA PHE 64 HA PHE 64 -6.926 22.481 -3.222 509 HB2 PHE 64 HB2 PHE 64 -7.454 23.419 -5.401 510 HB3 PHE 64 HB3 PHE 64 -6.080 22.588 -6.125 511 HD1 PHE 64 HD2 PHE 64 -6.120 20.141 -6.399 512 HD2 PHE 64 HD1 PHE 64 -9.511 22.301 -5.005 513 HE1 PHE 64 HE2 PHE 64 -7.555 18.207 -6.905 514 HE2 PHE 64 HE1 PHE 64 -10.951 20.370 -5.507 515 HZ PHE 64 HZ PHE 64 -9.974 18.320 -6.459 516 H GLU 65 H GLU 65 -4.188 21.675 -5.367 517 HA GLU 65 HA GLU 65 -4.191 18.941 -5.034 518 HB2 GLU 65 HB2 GLU 65 -2.760 19.950 -6.671 519 HB3 GLU 65 HB3 GLU 65 -1.873 20.832 -5.437 520 HG2 GLU 65 HG2 GLU 65 -1.004 18.725 -4.556 521 HG3 GLU 65 HG3 GLU 65 -1.888 17.845 -5.801 522 H ASP 66 H ASP 66 -2.529 21.370 -3.048 523 HA ASP 66 HA ASP 66 -1.159 19.716 -1.316 524 HB2 ASP 66 HB2 ASP 66 -0.726 22.016 -1.114 525 HB3 ASP 66 HB3 ASP 66 -2.433 22.414 -0.936 526 H ALA 67 H ALA 67 -4.464 20.980 -0.900 527 HA ALA 67 HA ALA 67 -4.904 19.092 1.285 528 HB1 ALA 67 HB1 ALA 67 -6.364 21.511 0.298 529 HB2 ALA 67 HB2 ALA 67 -7.166 20.346 1.352 530 HB3 ALA 67 HB3 ALA 67 -5.710 21.176 1.901 531 H ALA 68 H ALA 68 -4.627 18.091 -1.408 532 HA ALA 68 HA ALA 68 -7.360 17.143 -1.959 533 HB1 ALA 68 HB1 ALA 68 -6.502 16.537 -4.199 534 HB2 ALA 68 HB2 ALA 68 -6.383 18.263 -3.855 535 HB3 ALA 68 HB3 ALA 68 -4.946 17.245 -3.762 536 H PHE 69 H PHE 69 -4.246 16.208 -0.876 537 HA PHE 69 HA PHE 69 -5.126 13.406 -0.805 538 HB2 PHE 69 HB2 PHE 69 -2.620 12.849 -1.131 539 HB3 PHE 69 HB3 PHE 69 -3.569 13.292 -2.545 540 HD1 PHE 69 HD2 PHE 69 -1.656 15.087 0.115 541 HD2 PHE 69 HD1 PHE 69 -2.486 14.642 -4.036 542 HE1 PHE 69 HE2 PHE 69 -0.049 16.880 -0.395 543 HE2 PHE 69 HE1 PHE 69 -0.880 16.432 -4.552 544 HZ PHE 69 HZ PHE 69 0.342 17.554 -2.731 545 H LYS 70 H LYS 70 -4.500 15.979 0.982 546 HA LYS 70 HA LYS 70 -2.775 14.777 2.981 547 HB2 LYS 70 HB2 LYS 70 -2.633 16.863 3.944 548 HB3 LYS 70 HB3 LYS 70 -2.964 17.303 2.273 549 HG2 LYS 70 HG2 LYS 70 -5.369 17.504 2.862 550 HG3 LYS 70 HG3 LYS 70 -4.933 17.219 4.549 551 HD2 LYS 70 HD2 LYS 70 -3.778 19.444 2.877 552 HD3 LYS 70 HD3 LYS 70 -5.195 19.633 3.911 553 HE2 LYS 70 HE2 LYS 70 -2.656 18.522 5.032 554 HE3 LYS 70 HE3 LYS 70 -2.833 20.262 4.813 555 HZ1 LYS 70 HZ1 LYS 70 -4.646 20.317 6.285 556 HZ2 LYS 70 HZ2 LYS 70 -3.485 19.353 7.049 557 HZ3 LYS 70 HZ3 LYS 70 -4.816 18.633 6.292 558 H LEU 71 H LEU 71 -6.063 14.774 2.237 559 HA LEU 71 HA LEU 71 -7.028 14.550 4.951 560 HB2 LEU 71 HB2 LEU 71 -8.596 13.771 2.525 561 HB3 LEU 71 HB3 LEU 71 -9.169 14.440 4.052 562 HG LEU 71 HG LEU 71 -7.521 16.054 2.124 563 HD11 LEU 71 HD11 LEU 71 -9.761 15.030 1.226 564 HD12 LEU 71 HD12 LEU 71 -9.363 16.724 0.937 565 HD13 LEU 71 HD13 LEU 71 -10.488 16.289 2.222 566 HD21 LEU 71 HD21 LEU 71 -9.565 16.993 4.113 567 HD22 LEU 71 HD22 LEU 71 -8.277 17.912 3.333 568 HD23 LEU 71 HD23 LEU 71 -7.884 16.712 4.566 569 H GLN 72 H GLN 72 -8.809 12.544 4.961 570 HA GLN 72 HA GLN 72 -7.233 10.121 4.401 571 HB2 GLN 72 HB2 GLN 72 -7.879 9.163 6.486 572 HB3 GLN 72 HB3 GLN 72 -7.264 10.774 6.830 573 HG2 GLN 72 HG2 GLN 72 -9.508 11.627 7.061 574 HG3 GLN 72 HG3 GLN 72 -10.179 10.066 6.594 575 HE21 GLN 72 HE21 GLN 72 -10.307 8.445 8.076 576 HE22 GLN 72 HE22 GLN 72 -9.918 8.643 9.748 577 H VAL 73 H VAL 73 -8.708 8.105 4.621 578 HA VAL 73 HA VAL 73 -10.574 8.116 2.585 579 HB VAL 73 HB VAL 73 -9.650 6.036 3.353 580 HG11 VAL 73 HG11 VAL 73 -10.295 7.055 5.926 581 HG12 VAL 73 HG12 VAL 73 -11.109 5.502 5.726 582 HG13 VAL 73 HG13 VAL 73 -9.362 5.616 5.512 583 HG21 VAL 73 HG21 VAL 73 -12.154 6.299 2.539 584 HG22 VAL 73 HG22 VAL 73 -11.501 4.737 3.034 585 HG23 VAL 73 HG23 VAL 73 -12.490 5.674 4.154 586 H GLY 74 H GLY 74 -12.457 9.130 2.426 587 HA2 GLY 74 HA2 GLY 74 -14.580 9.856 2.946 588 HA3 GLY 74 HA3 GLY 74 -14.509 8.838 4.378 589 H GLU 75 H GLU 75 -12.501 11.604 3.399 590 HA GLU 75 HA GLU 75 -13.468 13.042 5.777 591 HB2 GLU 75 HB2 GLU 75 -10.986 11.931 5.643 592 HB3 GLU 75 HB3 GLU 75 -10.667 13.538 5.007 593 HG2 GLU 75 HG2 GLU 75 -10.277 13.464 7.392 594 HG3 GLU 75 HG3 GLU 75 -11.629 14.531 7.016 595 H VAL 76 H VAL 76 -13.860 15.184 5.522 596 HA VAL 76 HA VAL 76 -13.644 16.234 2.798 597 HB VAL 76 HB VAL 76 -15.176 17.312 5.169 598 HG11 VAL 76 HG11 VAL 76 -14.469 18.482 2.635 599 HG12 VAL 76 HG12 VAL 76 -16.221 18.324 2.784 600 HG13 VAL 76 HG13 VAL 76 -15.305 19.204 4.009 601 HG21 VAL 76 HG21 VAL 76 -15.925 15.104 4.168 602 HG22 VAL 76 HG22 VAL 76 -17.128 16.392 4.217 603 HG23 VAL 76 HG23 VAL 76 -16.305 16.011 2.705 604 H SER 77 H SER 77 -12.402 17.940 2.255 605 HA SER 77 HA SER 77 -10.394 18.808 4.117 606 HB2 SER 77 HB2 SER 77 -9.271 19.643 2.291 607 HB3 SER 77 HB3 SER 77 -10.301 18.465 1.479 608 HG SER 77 HG SER 77 -10.449 21.251 1.506 609 H GLU 78 H GLU 78 -9.961 21.438 3.464 610 HA GLU 78 HA GLU 78 -12.266 22.735 4.742 611 HB2 GLU 78 HB2 GLU 78 -10.436 24.598 5.058 612 HB3 GLU 78 HB3 GLU 78 -10.487 23.200 6.124 613 HG2 GLU 78 HG2 GLU 78 -8.737 22.125 4.807 614 HG3 GLU 78 HG3 GLU 78 -8.690 23.520 3.730 615 HA PRO 79 HA PRO 79 -13.165 25.277 1.284 616 HB2 PRO 79 HB2 PRO 79 -13.684 27.684 2.428 617 HB3 PRO 79 HB3 PRO 79 -14.775 26.300 2.566 618 HG2 PRO 79 HG2 PRO 79 -12.752 27.320 4.524 619 HG3 PRO 79 HG3 PRO 79 -14.406 26.752 4.817 620 HD2 PRO 79 HD2 PRO 79 -12.231 25.205 5.274 621 HD3 PRO 79 HD3 PRO 79 -13.789 24.532 4.751 622 H ILE 80 H ILE 80 -10.952 25.150 0.451 623 HA ILE 80 HA ILE 80 -9.054 27.194 1.103 624 HB ILE 80 HB ILE 80 -9.051 25.414 -1.332 625 HG12 ILE 80 HG12 ILE 80 -9.258 24.119 0.788 626 HG13 ILE 80 HG13 ILE 80 -7.742 23.827 -0.058 627 HG21 ILE 80 HG21 ILE 80 -7.420 26.997 -1.710 628 HG22 ILE 80 HG22 ILE 80 -7.040 27.168 0.003 629 HG23 ILE 80 HG23 ILE 80 -6.505 25.739 -0.880 630 HD11 ILE 80 HD11 ILE 80 -8.129 25.608 2.336 631 HD12 ILE 80 HD12 ILE 80 -7.366 24.017 2.317 632 HD13 ILE 80 HD13 ILE 80 -6.609 25.367 1.473 633 H LYS 81 H LYS 81 -9.425 29.247 0.579 634 HA LYS 81 HA LYS 81 -11.081 30.024 -1.617 635 HB2 LYS 81 HB2 LYS 81 -10.891 31.345 0.470 636 HB3 LYS 81 HB3 LYS 81 -9.218 31.708 0.068 637 HG2 LYS 81 HG2 LYS 81 -9.918 33.498 -1.024 638 HG3 LYS 81 HG3 LYS 81 -10.727 32.436 -2.179 639 HD2 LYS 81 HD2 LYS 81 -12.704 32.403 -0.664 640 HD3 LYS 81 HD3 LYS 81 -11.891 33.599 0.351 641 HE2 LYS 81 HE2 LYS 81 -12.407 34.034 -2.581 642 HE3 LYS 81 HE3 LYS 81 -13.570 34.484 -1.335 643 HZ1 LYS 81 HZ1 LYS 81 -11.251 35.566 -0.445 644 HZ2 LYS 81 HZ2 LYS 81 -12.467 36.402 -1.271 645 HZ3 LYS 81 HZ3 LYS 81 -11.137 35.788 -2.118 646 H SER 82 H SER 82 -10.469 29.973 -3.669 647 HA SER 82 HA SER 82 -7.738 30.819 -4.348 648 HB2 SER 82 HB2 SER 82 -7.301 28.980 -5.676 649 HB3 SER 82 HB3 SER 82 -8.273 28.228 -4.411 650 HG SER 82 HG SER 82 -8.755 28.097 -6.925 651 H GLU 83 H GLU 83 -7.790 30.741 -7.025 652 HA GLU 83 HA GLU 83 -9.238 33.021 -7.745 653 HB2 GLU 83 HB2 GLU 83 -8.636 32.400 -10.091 654 HB3 GLU 83 HB3 GLU 83 -7.274 32.424 -8.981 655 HG2 GLU 83 HG2 GLU 83 -7.361 29.997 -8.802 656 HG3 GLU 83 HG3 GLU 83 -8.743 29.962 -9.897 657 H PHE 84 H PHE 84 -10.132 29.682 -7.715 658 HA PHE 84 HA PHE 84 -12.508 30.180 -9.343 659 HB2 PHE 84 HB2 PHE 84 -11.670 27.563 -8.094 660 HB3 PHE 84 HB3 PHE 84 -12.799 27.810 -9.422 661 HD1 PHE 84 HD1 PHE 84 -11.550 29.398 -11.345 662 HD2 PHE 84 HD2 PHE 84 -9.744 26.533 -8.766 663 HE1 PHE 84 HE1 PHE 84 -9.718 29.103 -12.960 664 HE2 PHE 84 HE2 PHE 84 -7.909 26.235 -10.377 665 HZ PHE 84 HZ PHE 84 -7.893 27.522 -12.477 666 H GLY 85 H GLY 85 -11.538 30.020 -6.080 667 HA2 GLY 85 HA2 GLY 85 -13.227 30.960 -4.521 668 HA3 GLY 85 HA3 GLY 85 -14.367 29.834 -5.242 669 H TYR 86 H TYR 86 -14.744 29.111 -3.045 670 HA TYR 86 HA TYR 86 -12.661 27.859 -1.548 671 HB2 TYR 86 HB2 TYR 86 -15.671 27.714 -1.292 672 HB3 TYR 86 HB3 TYR 86 -14.543 27.009 -0.138 673 HD1 TYR 86 HD2 TYR 86 -12.633 28.813 0.601 674 HD2 TYR 86 HD1 TYR 86 -16.589 29.727 -0.672 675 HE1 TYR 86 HE2 TYR 86 -12.521 30.954 1.806 676 HE2 TYR 86 HE1 TYR 86 -16.487 31.872 0.529 677 HH TYR 86 HH TYR 86 -14.006 32.611 2.761 678 H HIS 87 H HIS 87 -11.794 25.933 -1.885 679 HA HIS 87 HA HIS 87 -13.193 24.025 -3.614 680 HB2 HIS 87 HB2 HIS 87 -10.309 24.291 -2.772 681 HB3 HIS 87 HB3 HIS 87 -10.920 22.866 -3.606 682 HD1 HIS 87 HD1 HIS 87 -11.344 23.057 -6.108 683 HD2 HIS 87 HD2 HIS 87 -10.233 26.653 -4.347 684 HE1 HIS 87 HE1 HIS 87 -10.875 24.625 -8.018 685 H ILE 88 H ILE 88 -14.120 22.264 -2.809 686 HA ILE 88 HA ILE 88 -13.418 21.449 -0.065 687 HB ILE 88 HB ILE 88 -16.043 21.060 -1.508 688 HG12 ILE 88 HG12 ILE 88 -15.712 23.388 -0.873 689 HG13 ILE 88 HG13 ILE 88 -16.920 22.651 0.173 690 HG21 ILE 88 HG21 ILE 88 -16.775 20.410 0.856 691 HG22 ILE 88 HG22 ILE 88 -15.831 19.237 -0.061 692 HG23 ILE 88 HG23 ILE 88 -15.056 20.207 1.193 693 HD11 ILE 88 HD11 ILE 88 -14.183 23.596 0.804 694 HD12 ILE 88 HD12 ILE 88 -15.683 23.771 1.714 695 HD13 ILE 88 HD13 ILE 88 -14.828 22.230 1.713 696 H ILE 89 H ILE 89 -11.761 20.043 -0.750 697 HA ILE 89 HA ILE 89 -12.386 17.883 -2.573 698 HB ILE 89 HB ILE 89 -9.897 18.149 -0.896 699 HG12 ILE 89 HG12 ILE 89 -9.255 19.047 -3.431 700 HG13 ILE 89 HG13 ILE 89 -10.828 19.781 -3.138 701 HG21 ILE 89 HG21 ILE 89 -9.188 16.348 -1.985 702 HG22 ILE 89 HG22 ILE 89 -10.805 16.187 -2.669 703 HG23 ILE 89 HG23 ILE 89 -9.564 17.083 -3.544 704 HD11 ILE 89 HD11 ILE 89 -9.671 20.375 -0.822 705 HD12 ILE 89 HD12 ILE 89 -8.228 20.275 -1.831 706 HD13 ILE 89 HD13 ILE 89 -9.523 21.394 -2.253 707 H LYS 90 H LYS 90 -12.985 15.874 -2.042 708 HA LYS 90 HA LYS 90 -12.760 15.033 0.767 709 HB2 LYS 90 HB2 LYS 90 -15.052 15.705 0.482 710 HB3 LYS 90 HB3 LYS 90 -15.183 14.802 -1.022 711 HG2 LYS 90 HG2 LYS 90 -14.862 12.709 0.250 712 HG3 LYS 90 HG3 LYS 90 -14.853 13.653 1.742 713 HD2 LYS 90 HD2 LYS 90 -17.117 14.453 1.236 714 HD3 LYS 90 HD3 LYS 90 -17.123 13.491 -0.244 715 HE2 LYS 90 HE2 LYS 90 -16.574 11.522 1.385 716 HE3 LYS 90 HE3 LYS 90 -17.246 12.600 2.606 717 HZ1 LYS 90 HZ1 LYS 90 -19.269 12.759 1.247 718 HZ2 LYS 90 HZ2 LYS 90 -18.960 11.175 1.751 719 HZ3 LYS 90 HZ3 LYS 90 -18.624 11.636 0.159 720 H ARG 91 H ARG 91 -11.734 13.161 0.969 721 HA ARG 91 HA ARG 91 -10.897 11.645 -1.270 722 HB2 ARG 91 HB2 ARG 91 -9.760 11.860 1.014 723 HB3 ARG 91 HB3 ARG 91 -10.912 10.656 1.575 724 HG2 ARG 91 HG2 ARG 91 -9.879 8.967 0.498 725 HG3 ARG 91 HG3 ARG 91 -9.430 9.975 -0.879 726 HD2 ARG 91 HD2 ARG 91 -7.469 10.631 0.066 727 HD3 ARG 91 HD3 ARG 91 -8.113 10.564 1.706 728 HE ARG 91 HE ARG 91 -7.893 7.963 0.598 729 HH11 ARG 91 HH11 ARG 91 -6.004 10.550 1.962 730 HH12 ARG 91 HH12 ARG 91 -4.746 9.505 2.534 731 HH21 ARG 91 HH21 ARG 91 -6.243 6.577 1.346 732 HH22 ARG 91 HH22 ARG 91 -4.883 7.245 2.182 733 H PHE 92 H PHE 92 -11.536 9.634 -2.010 734 HA PHE 92 HA PHE 92 -14.073 8.599 -0.931 735 HB2 PHE 92 HB2 PHE 92 -13.329 9.303 -3.723 736 HB3 PHE 92 HB3 PHE 92 -14.301 7.854 -3.493 737 HD1 PHE 92 HD1 PHE 92 -14.248 11.302 -2.056 738 HD2 PHE 92 HD2 PHE 92 -16.535 8.187 -3.839 739 HE1 PHE 92 HE1 PHE 92 -16.270 12.693 -1.884 740 HE2 PHE 92 HE2 PHE 92 -18.560 9.573 -3.670 741 HZ PHE 92 HZ PHE 92 -18.430 11.829 -2.692 742 H GLY 93 H GLY 93 -11.009 7.918 -2.505 743 HA2 GLY 93 HA2 GLY 93 -9.823 5.967 -2.776 744 HA3 GLY 93 HA3 GLY 93 -10.495 5.542 -1.209 Start of MODEL 15 1 H1 GLY 1 H GLY 1 0.472 8.831 -0.818 2 HA2 GLY 1 HA2 GLY 1 2.665 8.366 -0.324 3 HA3 GLY 1 HA3 GLY 1 2.058 7.283 0.919 4 HA PRO 2 HA PRO 2 3.295 3.744 -1.344 5 HB2 PRO 2 HB2 PRO 2 1.180 2.054 -1.144 6 HB3 PRO 2 HB3 PRO 2 2.234 2.438 0.222 7 HG2 PRO 2 HG2 PRO 2 -0.453 3.562 -0.471 8 HG3 PRO 2 HG3 PRO 2 0.178 3.063 1.109 9 HD2 PRO 2 HD2 PRO 2 0.080 5.655 0.332 10 HD3 PRO 2 HD3 PRO 2 1.350 5.027 1.403 11 H SER 3 H SER 3 0.416 5.374 -2.345 12 HA SER 3 HA SER 3 0.554 4.047 -4.973 13 HB2 SER 3 HB2 SER 3 -1.825 5.108 -5.183 14 HB3 SER 3 HB3 SER 3 -1.617 3.641 -4.226 15 HG SER 3 HG SER 3 -2.334 4.724 -2.591 16 H ASN 4 H ASN 4 -0.040 5.452 -6.833 17 HA ASN 4 HA ASN 4 1.371 7.991 -6.600 18 HB2 ASN 4 HB2 ASN 4 2.009 6.515 -8.434 19 HB3 ASN 4 HB3 ASN 4 0.351 6.496 -9.025 20 HD21 ASN 4 HD21 ASN 4 2.842 8.860 -8.123 21 HD22 ASN 4 HD22 ASN 4 2.575 9.907 -9.470 22 H LYS 5 H LYS 5 -1.821 6.730 -7.348 23 HA LYS 5 HA LYS 5 -2.849 9.491 -7.298 24 HB2 LYS 5 HB2 LYS 5 -4.751 8.261 -8.743 25 HB3 LYS 5 HB3 LYS 5 -3.364 9.063 -9.468 26 HG2 LYS 5 HG2 LYS 5 -2.193 6.918 -9.596 27 HG3 LYS 5 HG3 LYS 5 -3.594 6.118 -8.880 28 HD2 LYS 5 HD2 LYS 5 -3.943 5.756 -11.135 29 HD3 LYS 5 HD3 LYS 5 -4.888 7.220 -10.855 30 HE2 LYS 5 HE2 LYS 5 -2.946 8.557 -11.628 31 HE3 LYS 5 HE3 LYS 5 -2.107 7.054 -12.011 32 HZ1 LYS 5 HZ1 LYS 5 -3.039 7.676 -14.017 33 HZ2 LYS 5 HZ2 LYS 5 -4.475 8.230 -13.315 34 HZ3 LYS 5 HZ3 LYS 5 -4.175 6.569 -13.426 35 H ILE 6 H ILE 6 -5.139 9.643 -6.630 36 HA ILE 6 HA ILE 6 -6.190 7.410 -5.100 37 HB ILE 6 HB ILE 6 -6.462 8.743 -3.040 38 HG12 ILE 6 HG12 ILE 6 -4.380 10.664 -3.980 39 HG13 ILE 6 HG13 ILE 6 -6.046 10.932 -4.484 40 HG21 ILE 6 HG21 ILE 6 -4.237 8.440 -2.219 41 HG22 ILE 6 HG22 ILE 6 -4.565 7.161 -3.387 42 HG23 ILE 6 HG23 ILE 6 -3.567 8.540 -3.847 43 HD11 ILE 6 HD11 ILE 6 -6.721 10.927 -2.114 44 HD12 ILE 6 HD12 ILE 6 -5.024 10.771 -1.660 45 HD13 ILE 6 HD13 ILE 6 -5.581 12.211 -2.510 46 H LYS 7 H LYS 7 -8.390 7.686 -4.470 47 HA LYS 7 HA LYS 7 -9.895 9.269 -6.324 48 HB2 LYS 7 HB2 LYS 7 -10.363 6.992 -4.724 49 HB3 LYS 7 HB3 LYS 7 -11.511 8.212 -4.190 50 HG2 LYS 7 HG2 LYS 7 -11.950 8.498 -6.750 51 HG3 LYS 7 HG3 LYS 7 -11.258 6.876 -6.840 52 HD2 LYS 7 HD2 LYS 7 -13.185 5.995 -6.167 53 HD3 LYS 7 HD3 LYS 7 -13.131 6.959 -4.689 54 HE2 LYS 7 HE2 LYS 7 -14.232 8.797 -5.797 55 HE3 LYS 7 HE3 LYS 7 -14.172 7.947 -7.341 56 HZ1 LYS 7 HZ1 LYS 7 -15.527 6.690 -5.056 57 HZ2 LYS 7 HZ2 LYS 7 -15.817 6.500 -6.712 58 HZ3 LYS 7 HZ3 LYS 7 -16.324 7.907 -5.922 59 H CYS 8 H CYS 8 -11.216 11.024 -5.918 60 HA CYS 8 HA CYS 8 -11.773 12.096 -3.383 61 HB2 CYS 8 HB2 CYS 8 -10.305 14.082 -3.420 62 HB3 CYS 8 HB3 CYS 8 -9.390 12.586 -3.279 63 HG CYS 8 HG CYS 8 -9.577 14.719 -5.919 64 H SER 9 H SER 9 -12.828 14.209 -3.502 65 HA SER 9 HA SER 9 -13.842 14.769 -6.213 66 HB2 SER 9 HB2 SER 9 -15.352 15.137 -3.616 67 HB3 SER 9 HB3 SER 9 -15.989 15.330 -5.251 68 HG SER 9 HG SER 9 -15.150 12.975 -5.375 69 H HIS 10 H HIS 10 -15.250 17.065 -5.694 70 HA HIS 10 HA HIS 10 -13.835 19.005 -4.205 71 HB2 HIS 10 HB2 HIS 10 -12.885 20.300 -6.100 72 HB3 HIS 10 HB3 HIS 10 -12.104 18.737 -5.881 73 HD1 HIS 10 HD1 HIS 10 -13.266 20.815 -8.475 74 HD2 HIS 10 HD2 HIS 10 -13.505 16.734 -7.735 75 HE1 HIS 10 HE1 HIS 10 -13.735 19.754 -10.706 76 H ILE 11 H ILE 11 -14.876 20.999 -4.190 77 HA ILE 11 HA ILE 11 -17.102 21.419 -6.028 78 HB ILE 11 HB ILE 11 -17.441 21.316 -3.030 79 HG12 ILE 11 HG12 ILE 11 -18.847 19.772 -5.218 80 HG13 ILE 11 HG13 ILE 11 -17.509 19.143 -4.263 81 HG21 ILE 11 HG21 ILE 11 -19.931 21.716 -4.133 82 HG22 ILE 11 HG22 ILE 11 -18.951 22.934 -3.318 83 HG23 ILE 11 HG23 ILE 11 -18.894 22.788 -5.075 84 HD11 ILE 11 HD11 ILE 11 -20.222 19.950 -3.246 85 HD12 ILE 11 HD12 ILE 11 -19.584 18.312 -3.394 86 HD13 ILE 11 HD13 ILE 11 -18.876 19.433 -2.231 87 H LEU 12 H LEU 12 -17.288 23.494 -6.597 88 HA LEU 12 HA LEU 12 -15.768 25.480 -5.049 89 HB2 LEU 12 HB2 LEU 12 -16.349 25.128 -7.938 90 HB3 LEU 12 HB3 LEU 12 -16.204 26.774 -7.327 91 HG LEU 12 HG LEU 12 -14.101 26.041 -8.270 92 HD11 LEU 12 HD11 LEU 12 -14.465 26.978 -5.620 93 HD12 LEU 12 HD12 LEU 12 -13.117 27.274 -6.717 94 HD13 LEU 12 HD13 LEU 12 -13.080 25.887 -5.628 95 HD21 LEU 12 HD21 LEU 12 -14.760 23.556 -7.408 96 HD22 LEU 12 HD22 LEU 12 -13.554 24.023 -6.210 97 HD23 LEU 12 HD23 LEU 12 -13.145 24.038 -7.926 98 H VAL 13 H VAL 13 -16.769 27.184 -4.156 99 HA VAL 13 HA VAL 13 -19.560 27.725 -4.919 100 HB VAL 13 HB VAL 13 -20.144 28.130 -2.579 101 HG11 VAL 13 HG11 VAL 13 -20.333 25.868 -1.891 102 HG12 VAL 13 HG12 VAL 13 -20.382 25.863 -3.655 103 HG13 VAL 13 HG13 VAL 13 -18.905 25.397 -2.811 104 HG21 VAL 13 HG21 VAL 13 -17.811 28.723 -1.875 105 HG22 VAL 13 HG22 VAL 13 -18.671 27.656 -0.766 106 HG23 VAL 13 HG23 VAL 13 -17.449 26.997 -1.853 107 H SER 14 H SER 14 -20.185 29.855 -3.489 108 HA SER 14 HA SER 14 -18.136 31.838 -4.222 109 HB2 SER 14 HB2 SER 14 -20.213 33.416 -4.131 110 HB3 SER 14 HB3 SER 14 -19.996 32.363 -5.528 111 HG SER 14 HG SER 14 -22.113 32.486 -4.104 112 H LYS 15 H LYS 15 -20.063 30.568 -1.661 113 HA LYS 15 HA LYS 15 -18.843 32.504 0.183 114 HB2 LYS 15 HB2 LYS 15 -20.941 32.469 1.523 115 HB3 LYS 15 HB3 LYS 15 -21.133 33.207 -0.062 116 HG2 LYS 15 HG2 LYS 15 -21.897 30.812 -0.765 117 HG3 LYS 15 HG3 LYS 15 -22.189 30.617 0.964 118 HD2 LYS 15 HD2 LYS 15 -23.915 32.100 0.977 119 HD3 LYS 15 HD3 LYS 15 -23.215 33.091 -0.305 120 HE2 LYS 15 HE2 LYS 15 -23.758 31.168 -1.875 121 HE3 LYS 15 HE3 LYS 15 -24.728 30.504 -0.560 122 HZ1 LYS 15 HZ1 LYS 15 -26.305 31.720 -1.612 123 HZ2 LYS 15 HZ2 LYS 15 -25.211 32.856 -2.223 124 HZ3 LYS 15 HZ3 LYS 15 -25.703 32.940 -0.606 125 H GLN 16 H GLN 16 -18.467 31.727 2.312 126 HA GLN 16 HA GLN 16 -17.597 29.051 2.435 127 HB2 GLN 16 HB2 GLN 16 -17.879 31.270 4.416 128 HB3 GLN 16 HB3 GLN 16 -17.563 29.644 5.003 129 HG2 GLN 16 HG2 GLN 16 -15.666 29.766 3.148 130 HG3 GLN 16 HG3 GLN 16 -15.820 31.490 3.485 131 HE21 GLN 16 HE21 GLN 16 -13.491 30.810 4.095 132 HE22 GLN 16 HE22 GLN 16 -13.247 30.451 5.767 133 H SER 17 H SER 17 -20.594 30.595 3.307 134 HA SER 17 HA SER 17 -21.653 28.677 5.042 135 HB2 SER 17 HB2 SER 17 -22.679 30.887 4.687 136 HB3 SER 17 HB3 SER 17 -23.131 30.415 3.049 137 HG SER 17 HG SER 17 -24.368 29.876 5.401 138 H GLU 18 H GLU 18 -21.108 28.571 1.651 139 HA GLU 18 HA GLU 18 -22.914 26.302 1.287 140 HB2 GLU 18 HB2 GLU 18 -21.237 27.844 -0.698 141 HB3 GLU 18 HB3 GLU 18 -22.291 26.500 -1.112 142 HG2 GLU 18 HG2 GLU 18 -23.458 28.797 0.361 143 HG3 GLU 18 HG3 GLU 18 -23.074 29.001 -1.348 144 H ALA 19 H ALA 19 -19.481 27.128 0.919 145 HA ALA 19 HA ALA 19 -18.608 24.559 0.164 146 HB1 ALA 19 HB1 ALA 19 -16.459 25.706 1.466 147 HB2 ALA 19 HB2 ALA 19 -16.846 25.859 -0.248 148 HB3 ALA 19 HB3 ALA 19 -17.390 27.089 0.893 149 H LEU 20 H LEU 20 -18.549 26.178 3.338 150 HA LEU 20 HA LEU 20 -17.579 23.901 4.731 151 HB2 LEU 20 HB2 LEU 20 -17.656 26.463 5.355 152 HB3 LEU 20 HB3 LEU 20 -19.176 25.997 6.115 153 HG LEU 20 HG LEU 20 -17.699 24.170 7.267 154 HD11 LEU 20 HD11 LEU 20 -15.457 24.453 7.335 155 HD12 LEU 20 HD12 LEU 20 -15.559 26.205 7.165 156 HD13 LEU 20 HD13 LEU 20 -15.741 25.169 5.749 157 HD21 LEU 20 HD21 LEU 20 -17.872 27.086 7.950 158 HD22 LEU 20 HD22 LEU 20 -17.089 25.928 9.026 159 HD23 LEU 20 HD23 LEU 20 -18.794 25.737 8.612 160 H ALA 21 H ALA 21 -20.632 24.718 3.503 161 HA ALA 21 HA ALA 21 -22.279 23.424 5.428 162 HB1 ALA 21 HB1 ALA 21 -23.659 23.331 3.028 163 HB2 ALA 21 HB2 ALA 21 -23.743 24.608 4.242 164 HB3 ALA 21 HB3 ALA 21 -22.631 24.757 2.881 165 H ILE 22 H ILE 22 -20.216 22.275 2.964 166 HA ILE 22 HA ILE 22 -21.543 19.878 2.274 167 HB ILE 22 HB ILE 22 -18.575 20.434 2.254 168 HG12 ILE 22 HG12 ILE 22 -19.774 22.089 0.932 169 HG13 ILE 22 HG13 ILE 22 -18.932 20.974 -0.138 170 HG21 ILE 22 HG21 ILE 22 -18.561 18.679 0.479 171 HG22 ILE 22 HG22 ILE 22 -18.968 18.082 2.087 172 HG23 ILE 22 HG23 ILE 22 -20.240 18.326 0.891 173 HD11 ILE 22 HD11 ILE 22 -21.101 19.737 -0.379 174 HD12 ILE 22 HD12 ILE 22 -21.868 21.077 0.474 175 HD13 ILE 22 HD13 ILE 22 -21.065 21.359 -1.070 176 H MET 23 H MET 23 -19.828 20.838 5.080 177 HA MET 23 HA MET 23 -19.455 18.062 5.945 178 HB2 MET 23 HB2 MET 23 -18.572 20.491 7.481 179 HB3 MET 23 HB3 MET 23 -17.939 18.853 7.561 180 HG2 MET 23 HG2 MET 23 -17.089 19.146 5.238 181 HG3 MET 23 HG3 MET 23 -17.577 20.836 5.333 182 HE1 MET 23 HE1 MET 23 -15.196 22.399 7.876 183 HE2 MET 23 HE2 MET 23 -16.555 22.600 6.770 184 HE3 MET 23 HE3 MET 23 -16.783 21.756 8.303 185 H GLU 24 H GLU 24 -21.430 20.842 6.446 186 HA GLU 24 HA GLU 24 -22.474 19.876 8.983 187 HB2 GLU 24 HB2 GLU 24 -23.511 21.932 9.220 188 HB3 GLU 24 HB3 GLU 24 -22.085 22.355 8.284 189 HG2 GLU 24 HG2 GLU 24 -23.548 22.118 6.226 190 HG3 GLU 24 HG3 GLU 24 -24.917 22.083 7.336 191 H LYS 25 H LYS 25 -23.202 19.713 5.629 192 HA LYS 25 HA LYS 25 -25.984 18.975 6.075 193 HB2 LYS 25 HB2 LYS 25 -24.330 19.273 3.566 194 HB3 LYS 25 HB3 LYS 25 -26.003 18.731 3.565 195 HG2 LYS 25 HG2 LYS 25 -25.312 21.300 4.904 196 HG3 LYS 25 HG3 LYS 25 -25.411 21.238 3.142 197 HD2 LYS 25 HD2 LYS 25 -27.604 20.255 4.959 198 HD3 LYS 25 HD3 LYS 25 -27.533 21.903 4.330 199 HE2 LYS 25 HE2 LYS 25 -27.458 20.925 2.026 200 HE3 LYS 25 HE3 LYS 25 -27.759 19.346 2.751 201 HZ1 LYS 25 HZ1 LYS 25 -29.587 21.518 3.439 202 HZ2 LYS 25 HZ2 LYS 25 -29.899 19.869 3.231 203 HZ3 LYS 25 HZ3 LYS 25 -29.705 20.871 1.880 204 H LEU 26 H LEU 26 -23.074 17.517 4.624 205 HA LEU 26 HA LEU 26 -24.171 14.965 4.219 206 HB2 LEU 26 HB2 LEU 26 -21.304 15.761 4.702 207 HB3 LEU 26 HB3 LEU 26 -21.833 14.198 4.085 208 HG LEU 26 HG LEU 26 -22.089 16.865 2.698 209 HD11 LEU 26 HD11 LEU 26 -20.647 14.566 1.525 210 HD12 LEU 26 HD12 LEU 26 -19.871 15.391 2.876 211 HD13 LEU 26 HD13 LEU 26 -20.307 16.295 1.426 212 HD21 LEU 26 HD21 LEU 26 -23.895 15.892 1.770 213 HD22 LEU 26 HD22 LEU 26 -23.405 14.269 2.256 214 HD23 LEU 26 HD23 LEU 26 -22.691 15.015 0.826 215 H LYS 27 H LYS 27 -23.180 16.551 7.074 216 HA LYS 27 HA LYS 27 -22.312 14.472 8.696 217 HB2 LYS 27 HB2 LYS 27 -22.704 15.878 10.514 218 HB3 LYS 27 HB3 LYS 27 -22.485 17.006 9.182 219 HG2 LYS 27 HG2 LYS 27 -24.952 17.150 8.966 220 HG3 LYS 27 HG3 LYS 27 -25.096 16.133 10.402 221 HD2 LYS 27 HD2 LYS 27 -23.692 18.802 10.288 222 HD3 LYS 27 HD3 LYS 27 -25.316 18.531 10.922 223 HE2 LYS 27 HE2 LYS 27 -24.382 17.006 12.608 224 HE3 LYS 27 HE3 LYS 27 -22.764 17.321 11.984 225 HZ1 LYS 27 HZ1 LYS 27 -23.586 19.797 12.443 226 HZ2 LYS 27 HZ2 LYS 27 -22.786 18.865 13.605 227 HZ3 LYS 27 HZ3 LYS 27 -24.473 18.993 13.639 228 H SER 28 H SER 28 -25.531 15.291 7.626 229 HA SER 28 HA SER 28 -26.875 13.584 9.502 230 HB2 SER 28 HB2 SER 28 -27.773 15.663 8.152 231 HB3 SER 28 HB3 SER 28 -28.144 14.447 6.930 232 HG SER 28 HG SER 28 -29.877 14.816 8.415 233 H GLY 29 H GLY 29 -25.395 13.200 6.402 234 HA2 GLY 29 HA2 GLY 29 -24.787 10.854 5.883 235 HA3 GLY 29 HA3 GLY 29 -26.447 10.440 6.281 236 H GLU 30 H GLU 30 -25.720 13.345 4.513 237 HA GLU 30 HA GLU 30 -27.363 12.495 2.326 238 HB2 GLU 30 HB2 GLU 30 -25.605 14.936 2.324 239 HB3 GLU 30 HB3 GLU 30 -27.126 14.684 1.480 240 HG2 GLU 30 HG2 GLU 30 -28.310 14.694 3.620 241 HG3 GLU 30 HG3 GLU 30 -26.783 14.970 4.456 242 H LYS 31 H LYS 31 -26.143 13.563 0.105 243 HA LYS 31 HA LYS 31 -23.822 11.781 -0.256 244 HB2 LYS 31 HB2 LYS 31 -26.124 11.417 -1.511 245 HB3 LYS 31 HB3 LYS 31 -25.483 12.663 -2.575 246 HG2 LYS 31 HG2 LYS 31 -24.814 10.702 -3.599 247 HG3 LYS 31 HG3 LYS 31 -23.380 11.177 -2.684 248 HD2 LYS 31 HD2 LYS 31 -23.476 9.008 -2.024 249 HD3 LYS 31 HD3 LYS 31 -24.591 9.677 -0.829 250 HE2 LYS 31 HE2 LYS 31 -25.688 8.818 -3.456 251 HE3 LYS 31 HE3 LYS 31 -25.220 7.570 -2.303 252 HZ1 LYS 31 HZ1 LYS 31 -26.617 9.105 -0.701 253 HZ2 LYS 31 HZ2 LYS 31 -27.348 7.909 -1.647 254 HZ3 LYS 31 HZ3 LYS 31 -27.385 9.524 -2.149 255 H PHE 32 H PHE 32 -21.964 12.665 -0.910 256 HA PHE 32 HA PHE 32 -21.518 15.402 -0.934 257 HB2 PHE 32 HB2 PHE 32 -19.729 13.746 -0.639 258 HB3 PHE 32 HB3 PHE 32 -19.904 13.251 -2.319 259 HD1 PHE 32 HD1 PHE 32 -19.373 14.911 -4.131 260 HD2 PHE 32 HD2 PHE 32 -18.384 15.567 -0.044 261 HE1 PHE 32 HE1 PHE 32 -17.739 16.621 -4.805 262 HE2 PHE 32 HE2 PHE 32 -16.747 17.279 -0.711 263 HZ PHE 32 HZ PHE 32 -16.422 17.807 -3.095 264 H GLY 33 H GLY 33 -22.143 13.205 -3.637 265 HA2 GLY 33 HA2 GLY 33 -21.694 15.009 -5.733 266 HA3 GLY 33 HA3 GLY 33 -22.751 13.607 -5.814 267 H LYS 34 H LYS 34 -24.636 14.350 -3.875 268 HA LYS 34 HA LYS 34 -26.467 15.800 -5.347 269 HB2 LYS 34 HB2 LYS 34 -26.230 15.243 -2.404 270 HB3 LYS 34 HB3 LYS 34 -27.548 16.225 -3.029 271 HG2 LYS 34 HG2 LYS 34 -28.196 14.352 -4.503 272 HG3 LYS 34 HG3 LYS 34 -26.930 13.371 -3.761 273 HD2 LYS 34 HD2 LYS 34 -28.876 12.776 -2.604 274 HD3 LYS 34 HD3 LYS 34 -28.070 13.926 -1.534 275 HE2 LYS 34 HE2 LYS 34 -29.584 15.627 -2.026 276 HE3 LYS 34 HE3 LYS 34 -30.123 14.847 -3.512 277 HZ1 LYS 34 HZ1 LYS 34 -31.024 13.045 -2.003 278 HZ2 LYS 34 HZ2 LYS 34 -31.843 14.524 -1.986 279 HZ3 LYS 34 HZ3 LYS 34 -30.790 14.126 -0.723 280 H LEU 35 H LEU 35 -23.938 16.939 -3.243 281 HA LEU 35 HA LEU 35 -24.944 19.677 -3.335 282 HB2 LEU 35 HB2 LEU 35 -22.370 18.820 -2.066 283 HB3 LEU 35 HB3 LEU 35 -23.391 20.200 -1.671 284 HG LEU 35 HG LEU 35 -23.919 17.301 -1.032 285 HD11 LEU 35 HD11 LEU 35 -23.333 19.718 0.667 286 HD12 LEU 35 HD12 LEU 35 -22.325 18.286 0.462 287 HD13 LEU 35 HD13 LEU 35 -23.873 18.162 1.298 288 HD21 LEU 35 HD21 LEU 35 -25.786 18.836 0.299 289 HD22 LEU 35 HD22 LEU 35 -26.083 17.825 -1.116 290 HD23 LEU 35 HD23 LEU 35 -25.741 19.545 -1.316 291 H ALA 36 H ALA 36 -22.397 17.670 -4.642 292 HA ALA 36 HA ALA 36 -20.844 19.811 -5.720 293 HB1 ALA 36 HB1 ALA 36 -19.609 18.089 -6.885 294 HB2 ALA 36 HB2 ALA 36 -19.902 17.588 -5.220 295 HB3 ALA 36 HB3 ALA 36 -20.867 16.906 -6.528 296 H LYS 37 H LYS 37 -23.744 18.287 -6.655 297 HA LYS 37 HA LYS 37 -23.455 19.052 -9.461 298 HB2 LYS 37 HB2 LYS 37 -25.491 17.814 -9.850 299 HB3 LYS 37 HB3 LYS 37 -24.396 16.827 -8.891 300 HG2 LYS 37 HG2 LYS 37 -25.671 17.621 -6.857 301 HG3 LYS 37 HG3 LYS 37 -26.865 18.277 -7.980 302 HD2 LYS 37 HD2 LYS 37 -26.728 15.831 -8.983 303 HD3 LYS 37 HD3 LYS 37 -26.194 15.447 -7.345 304 HE2 LYS 37 HE2 LYS 37 -28.237 16.652 -6.511 305 HE3 LYS 37 HE3 LYS 37 -28.784 16.738 -8.186 306 HZ1 LYS 37 HZ1 LYS 37 -28.004 14.111 -7.197 307 HZ2 LYS 37 HZ2 LYS 37 -29.264 14.546 -8.238 308 HZ3 LYS 37 HZ3 LYS 37 -29.436 14.757 -6.569 309 H GLU 38 H GLU 38 -23.987 20.788 -6.911 310 HA GLU 38 HA GLU 38 -25.920 22.523 -8.254 311 HB2 GLU 38 HB2 GLU 38 -26.138 21.693 -5.356 312 HB3 GLU 38 HB3 GLU 38 -27.099 22.951 -6.119 313 HG2 GLU 38 HG2 GLU 38 -27.088 20.140 -7.153 314 HG3 GLU 38 HG3 GLU 38 -28.147 20.643 -5.838 315 H LEU 39 H LEU 39 -24.006 22.302 -5.249 316 HA LEU 39 HA LEU 39 -23.521 25.077 -5.071 317 HB2 LEU 39 HB2 LEU 39 -22.015 22.750 -3.890 318 HB3 LEU 39 HB3 LEU 39 -21.762 24.436 -3.446 319 HG LEU 39 HG LEU 39 -24.255 22.804 -2.980 320 HD11 LEU 39 HD11 LEU 39 -23.253 22.216 -1.092 321 HD12 LEU 39 HD12 LEU 39 -23.254 23.912 -0.613 322 HD13 LEU 39 HD13 LEU 39 -21.862 23.236 -1.458 323 HD21 LEU 39 HD21 LEU 39 -25.190 24.864 -3.254 324 HD22 LEU 39 HD22 LEU 39 -23.706 25.719 -2.828 325 HD23 LEU 39 HD23 LEU 39 -24.703 24.996 -1.564 326 H SER 40 H SER 40 -21.546 22.398 -6.307 327 HA SER 40 HA SER 40 -19.224 23.776 -6.903 328 HB2 SER 40 HB2 SER 40 -20.063 21.216 -7.263 329 HB3 SER 40 HB3 SER 40 -20.054 21.791 -8.930 330 HG SER 40 HG SER 40 -17.851 22.603 -8.337 331 H ILE 41 H ILE 41 -19.295 25.738 -7.839 332 HA ILE 41 HA ILE 41 -21.100 26.460 -9.909 333 HB ILE 41 HB ILE 41 -19.621 28.467 -10.175 334 HG12 ILE 41 HG12 ILE 41 -18.157 27.699 -7.703 335 HG13 ILE 41 HG13 ILE 41 -17.632 26.952 -9.208 336 HG21 ILE 41 HG21 ILE 41 -20.257 29.460 -8.077 337 HG22 ILE 41 HG22 ILE 41 -21.533 28.363 -8.602 338 HG23 ILE 41 HG23 ILE 41 -20.416 27.871 -7.329 339 HD11 ILE 41 HD11 ILE 41 -16.348 28.759 -9.420 340 HD12 ILE 41 HD12 ILE 41 -17.832 29.578 -9.913 341 HD13 ILE 41 HD13 ILE 41 -17.282 29.677 -8.240 342 H ASP 42 H ASP 42 -18.019 24.911 -9.874 343 HA ASP 42 HA ASP 42 -17.106 25.564 -12.452 344 HB2 ASP 42 HB2 ASP 42 -15.688 24.505 -10.732 345 HB3 ASP 42 HB3 ASP 42 -16.631 23.026 -10.876 346 H SER 43 H SER 43 -17.993 25.130 -14.348 347 HA SER 43 HA SER 43 -20.253 23.542 -14.731 348 HB2 SER 43 HB2 SER 43 -19.876 23.835 -17.113 349 HB3 SER 43 HB3 SER 43 -19.492 25.341 -16.279 350 HG SER 43 HG SER 43 -17.430 25.097 -16.749 351 H GLY 44 H GLY 44 -16.918 22.683 -14.563 352 HA2 GLY 44 HA2 GLY 44 -17.401 20.065 -15.787 353 HA3 GLY 44 HA3 GLY 44 -15.835 20.724 -15.339 354 H SER 45 H SER 45 -18.078 21.230 -12.896 355 HA SER 45 HA SER 45 -17.305 18.741 -11.527 356 HB2 SER 45 HB2 SER 45 -17.531 21.398 -10.115 357 HB3 SER 45 HB3 SER 45 -16.821 19.901 -9.512 358 HG SER 45 HG SER 45 -15.430 20.343 -11.589 359 H ALA 46 H ALA 46 -19.783 20.531 -12.697 360 HA ALA 46 HA ALA 46 -21.651 19.782 -10.554 361 HB1 ALA 46 HB1 ALA 46 -22.881 21.596 -11.045 362 HB2 ALA 46 HB2 ALA 46 -21.404 22.163 -11.825 363 HB3 ALA 46 HB3 ALA 46 -22.671 21.397 -12.784 364 H LYS 47 H LYS 47 -20.539 18.754 -13.544 365 HA LYS 47 HA LYS 47 -23.065 17.412 -14.210 366 HB2 LYS 47 HB2 LYS 47 -21.755 18.807 -15.927 367 HB3 LYS 47 HB3 LYS 47 -20.602 17.478 -15.942 368 HG2 LYS 47 HG2 LYS 47 -22.499 15.959 -16.544 369 HG3 LYS 47 HG3 LYS 47 -23.503 17.398 -16.735 370 HD2 LYS 47 HD2 LYS 47 -20.941 16.852 -18.234 371 HD3 LYS 47 HD3 LYS 47 -22.567 16.604 -18.874 372 HE2 LYS 47 HE2 LYS 47 -23.029 19.005 -18.532 373 HE3 LYS 47 HE3 LYS 47 -21.369 19.225 -17.982 374 HZ1 LYS 47 HZ1 LYS 47 -22.397 18.927 -20.663 375 HZ2 LYS 47 HZ2 LYS 47 -21.019 17.999 -20.345 376 HZ3 LYS 47 HZ3 LYS 47 -20.979 19.676 -20.124 377 H LYS 48 H LYS 48 -20.181 16.866 -12.634 378 HA LYS 48 HA LYS 48 -20.489 13.959 -12.958 379 HB2 LYS 48 HB2 LYS 48 -17.900 13.994 -12.473 380 HB3 LYS 48 HB3 LYS 48 -18.513 14.194 -14.109 381 HG2 LYS 48 HG2 LYS 48 -18.126 16.647 -12.499 382 HG3 LYS 48 HG3 LYS 48 -16.681 15.800 -13.058 383 HD2 LYS 48 HD2 LYS 48 -18.704 16.068 -15.134 384 HD3 LYS 48 HD3 LYS 48 -18.167 17.627 -14.503 385 HE2 LYS 48 HE2 LYS 48 -15.800 16.789 -14.833 386 HE3 LYS 48 HE3 LYS 48 -16.499 15.445 -15.735 387 HZ1 LYS 48 HZ1 LYS 48 -17.621 17.788 -16.733 388 HZ2 LYS 48 HZ2 LYS 48 -16.544 16.741 -17.511 389 HZ3 LYS 48 HZ3 LYS 48 -15.954 18.056 -16.625 390 H ASN 49 H ASN 49 -21.508 15.828 -10.937 391 HA ASN 49 HA ASN 49 -21.676 16.064 -8.677 392 HB2 ASN 49 HB2 ASN 49 -20.791 13.203 -8.983 393 HB3 ASN 49 HB3 ASN 49 -21.137 13.890 -7.399 394 HD21 ASN 49 HD21 ASN 49 -23.290 15.382 -7.716 395 HD22 ASN 49 HD22 ASN 49 -24.629 14.457 -8.297 396 H GLY 50 H GLY 50 -19.157 16.887 -9.914 397 HA2 GLY 50 HA2 GLY 50 -17.080 17.637 -9.285 398 HA3 GLY 50 HA3 GLY 50 -17.710 17.602 -7.645 399 H ASN 51 H ASN 51 -17.644 14.650 -9.434 400 HA ASN 51 HA ASN 51 -15.573 13.644 -7.628 401 HB2 ASN 51 HB2 ASN 51 -17.550 12.305 -7.607 402 HB3 ASN 51 HB3 ASN 51 -17.617 12.260 -9.367 403 HD21 ASN 51 HD21 ASN 51 -14.996 11.692 -7.049 404 HD22 ASN 51 HD22 ASN 51 -14.614 10.103 -7.610 405 H LEU 52 H LEU 52 -13.772 14.570 -8.695 406 HA LEU 52 HA LEU 52 -13.208 14.171 -11.439 407 HB2 LEU 52 HB2 LEU 52 -10.895 14.820 -10.813 408 HB3 LEU 52 HB3 LEU 52 -12.135 15.953 -10.279 409 HG LEU 52 HG LEU 52 -11.946 14.617 -8.027 410 HD11 LEU 52 HD11 LEU 52 -9.109 14.364 -8.410 411 HD12 LEU 52 HD12 LEU 52 -9.981 13.331 -9.544 412 HD13 LEU 52 HD13 LEU 52 -10.271 13.180 -7.811 413 HD21 LEU 52 HD21 LEU 52 -10.933 16.463 -7.253 414 HD22 LEU 52 HD22 LEU 52 -11.072 17.037 -8.915 415 HD23 LEU 52 HD23 LEU 52 -9.569 16.301 -8.358 416 H GLY 53 H GLY 53 -13.140 12.055 -8.806 417 HA2 GLY 53 HA2 GLY 53 -12.642 9.796 -8.779 418 HA3 GLY 53 HA3 GLY 53 -12.064 9.941 -10.432 419 H TYR 54 H TYR 54 -10.049 9.208 -10.519 420 HA TYR 54 HA TYR 54 -8.260 9.568 -8.251 421 HB2 TYR 54 HB2 TYR 54 -8.397 7.775 -10.583 422 HB3 TYR 54 HB3 TYR 54 -6.771 8.283 -10.144 423 HD1 TYR 54 HD1 TYR 54 -9.717 7.549 -7.980 424 HD2 TYR 54 HD2 TYR 54 -5.778 6.437 -9.141 425 HE1 TYR 54 HE1 TYR 54 -9.674 5.858 -6.195 426 HE2 TYR 54 HE2 TYR 54 -5.725 4.742 -7.360 427 HH TYR 54 HH TYR 54 -8.530 4.208 -5.248 428 H PHE 55 H PHE 55 -6.523 10.887 -8.207 429 HA PHE 55 HA PHE 55 -5.731 12.268 -10.666 430 HB2 PHE 55 HB2 PHE 55 -6.024 14.402 -9.838 431 HB3 PHE 55 HB3 PHE 55 -7.389 13.578 -9.091 432 HD1 PHE 55 HD2 PHE 55 -6.357 12.228 -6.823 433 HD2 PHE 55 HD1 PHE 55 -5.179 15.992 -8.426 434 HE1 PHE 55 HE2 PHE 55 -5.557 12.920 -4.601 435 HE2 PHE 55 HE1 PHE 55 -4.377 16.689 -6.207 436 HZ PHE 55 HZ PHE 55 -4.566 15.153 -4.291 437 H THR 56 H THR 56 -3.769 13.829 -9.940 438 HA THR 56 HA THR 56 -2.029 12.488 -8.028 439 HB THR 56 HB THR 56 -0.195 12.185 -9.573 440 HG1 THR 56 HG1 THR 56 -0.201 13.326 -11.347 441 HG21 THR 56 HG21 THR 56 -1.775 10.330 -9.371 442 HG22 THR 56 HG22 THR 56 -1.109 10.412 -11.002 443 HG23 THR 56 HG23 THR 56 -2.741 11.000 -10.685 444 H LYS 57 H LYS 57 0.266 13.681 -8.235 445 HA LYS 57 HA LYS 57 -0.311 16.445 -7.650 446 HB2 LYS 57 HB2 LYS 57 2.413 15.153 -7.739 447 HB3 LYS 57 HB3 LYS 57 1.922 16.582 -6.836 448 HG2 LYS 57 HG2 LYS 57 0.246 14.779 -5.770 449 HG3 LYS 57 HG3 LYS 57 1.597 13.724 -6.193 450 HD2 LYS 57 HD2 LYS 57 2.033 16.299 -4.714 451 HD3 LYS 57 HD3 LYS 57 1.583 14.819 -3.863 452 HE2 LYS 57 HE2 LYS 57 3.910 14.816 -3.771 453 HE3 LYS 57 HE3 LYS 57 3.551 13.747 -5.126 454 HZ1 LYS 57 HZ1 LYS 57 4.230 15.321 -6.655 455 HZ2 LYS 57 HZ2 LYS 57 5.347 15.541 -5.405 456 HZ3 LYS 57 HZ3 LYS 57 4.053 16.616 -5.581 457 H GLY 58 H GLY 58 -0.555 17.826 -9.289 458 HA2 GLY 58 HA2 GLY 58 0.900 19.163 -10.831 459 HA3 GLY 58 HA3 GLY 58 1.331 17.621 -11.556 460 H MET 59 H MET 59 -1.863 17.493 -10.661 461 HA MET 59 HA MET 59 -2.718 18.226 -13.382 462 HB2 MET 59 HB2 MET 59 -4.048 16.279 -11.492 463 HB3 MET 59 HB3 MET 59 -4.490 16.586 -13.166 464 HG2 MET 59 HG2 MET 59 -1.898 15.889 -13.459 465 HG3 MET 59 HG3 MET 59 -2.340 14.930 -12.047 466 HE1 MET 59 HE1 MET 59 -2.360 15.400 -15.711 467 HE2 MET 59 HE2 MET 59 -3.600 14.333 -16.368 468 HE3 MET 59 HE3 MET 59 -4.058 15.870 -15.633 469 H MET 60 H MET 60 -2.721 19.427 -10.372 470 HA MET 60 HA MET 60 -5.241 20.862 -10.821 471 HB2 MET 60 HB2 MET 60 -4.317 19.872 -8.119 472 HB3 MET 60 HB3 MET 60 -5.797 20.761 -8.460 473 HG2 MET 60 HG2 MET 60 -5.254 18.118 -9.752 474 HG3 MET 60 HG3 MET 60 -5.924 18.220 -8.124 475 HE1 MET 60 HE1 MET 60 -7.652 17.700 -11.774 476 HE2 MET 60 HE2 MET 60 -6.849 16.790 -10.494 477 HE3 MET 60 HE3 MET 60 -8.601 16.989 -10.468 478 H VAL 61 H VAL 61 -5.197 22.588 -8.724 479 HA VAL 61 HA VAL 61 -2.844 24.214 -9.350 480 HB VAL 61 HB VAL 61 -4.068 26.106 -8.502 481 HG11 VAL 61 HG11 VAL 61 -5.633 26.306 -10.192 482 HG12 VAL 61 HG12 VAL 61 -4.594 25.016 -10.802 483 HG13 VAL 61 HG13 VAL 61 -6.146 24.623 -10.059 484 HG21 VAL 61 HG21 VAL 61 -6.311 25.909 -7.570 485 HG22 VAL 61 HG22 VAL 61 -6.234 24.153 -7.723 486 HG23 VAL 61 HG23 VAL 61 -5.154 24.990 -6.607 487 H LYS 62 H LYS 62 -2.028 25.613 -7.516 488 HA LYS 62 HA LYS 62 -0.933 24.028 -5.506 489 HB2 LYS 62 HB2 LYS 62 0.285 25.949 -5.828 490 HB3 LYS 62 HB3 LYS 62 -1.147 26.957 -5.997 491 HG2 LYS 62 HG2 LYS 62 0.083 27.500 -3.972 492 HG3 LYS 62 HG3 LYS 62 -1.516 26.856 -3.590 493 HD2 LYS 62 HD2 LYS 62 0.044 25.850 -2.091 494 HD3 LYS 62 HD3 LYS 62 -0.439 24.618 -3.260 495 HE2 LYS 62 HE2 LYS 62 1.606 24.650 -4.335 496 HE3 LYS 62 HE3 LYS 62 1.990 26.277 -3.776 497 HZ1 LYS 62 HZ1 LYS 62 1.730 24.651 -1.528 498 HZ2 LYS 62 HZ2 LYS 62 3.134 25.380 -2.126 499 HZ3 LYS 62 HZ3 LYS 62 2.713 23.821 -2.626 500 HA PRO 63 HA PRO 63 -4.168 25.895 -2.439 501 HB2 PRO 63 HB2 PRO 63 -6.249 27.268 -3.511 502 HB3 PRO 63 HB3 PRO 63 -4.727 28.038 -3.049 503 HG2 PRO 63 HG2 PRO 63 -5.663 27.164 -5.755 504 HG3 PRO 63 HG3 PRO 63 -4.832 28.660 -5.287 505 HD2 PRO 63 HD2 PRO 63 -3.541 26.573 -6.432 506 HD3 PRO 63 HD3 PRO 63 -2.761 27.648 -5.254 507 H PHE 64 H PHE 64 -4.190 23.456 -3.827 508 HA PHE 64 HA PHE 64 -6.796 22.512 -3.185 509 HB2 PHE 64 HB2 PHE 64 -7.373 23.452 -5.351 510 HB3 PHE 64 HB3 PHE 64 -6.028 22.605 -6.109 511 HD1 PHE 64 HD2 PHE 64 -6.100 20.157 -6.374 512 HD2 PHE 64 HD1 PHE 64 -9.431 22.358 -4.902 513 HE1 PHE 64 HE2 PHE 64 -7.568 18.238 -6.838 514 HE2 PHE 64 HE1 PHE 64 -10.904 20.443 -5.362 515 HZ PHE 64 HZ PHE 64 -9.973 18.378 -6.330 516 H GLU 65 H GLU 65 -4.101 21.688 -5.377 517 HA GLU 65 HA GLU 65 -4.127 18.952 -5.062 518 HB2 GLU 65 HB2 GLU 65 -2.708 19.985 -6.709 519 HB3 GLU 65 HB3 GLU 65 -1.781 20.810 -5.463 520 HG2 GLU 65 HG2 GLU 65 -0.967 18.649 -4.647 521 HG3 GLU 65 HG3 GLU 65 -1.875 17.837 -5.921 522 H ASP 66 H ASP 66 -2.399 21.345 -3.089 523 HA ASP 66 HA ASP 66 -1.052 19.642 -1.379 524 HB2 ASP 66 HB2 ASP 66 -0.770 22.105 -1.434 525 HB3 ASP 66 HB3 ASP 66 -2.332 22.281 -0.638 526 H ALA 67 H ALA 67 -4.339 20.946 -1.029 527 HA ALA 67 HA ALA 67 -4.807 19.106 1.205 528 HB1 ALA 67 HB1 ALA 67 -6.304 20.576 2.020 529 HB2 ALA 67 HB2 ALA 67 -5.451 21.719 0.980 530 HB3 ALA 67 HB3 ALA 67 -6.947 20.970 0.425 531 H ALA 68 H ALA 68 -4.598 18.032 -1.423 532 HA ALA 68 HA ALA 68 -7.383 17.225 -1.953 533 HB1 ALA 68 HB1 ALA 68 -5.011 17.274 -3.813 534 HB2 ALA 68 HB2 ALA 68 -6.591 16.606 -4.220 535 HB3 ALA 68 HB3 ALA 68 -6.425 18.326 -3.865 536 H PHE 69 H PHE 69 -4.251 16.171 -1.007 537 HA PHE 69 HA PHE 69 -5.226 13.397 -0.941 538 HB2 PHE 69 HB2 PHE 69 -2.744 12.771 -1.304 539 HB3 PHE 69 HB3 PHE 69 -3.687 13.280 -2.701 540 HD1 PHE 69 HD2 PHE 69 -1.692 14.937 -0.012 541 HD2 PHE 69 HD1 PHE 69 -2.576 14.637 -4.165 542 HE1 PHE 69 HE2 PHE 69 -0.030 16.687 -0.488 543 HE2 PHE 69 HE1 PHE 69 -0.914 16.386 -4.648 544 HZ PHE 69 HZ PHE 69 0.361 17.413 -2.808 545 H LYS 70 H LYS 70 -4.464 15.936 0.868 546 HA LYS 70 HA LYS 70 -2.871 14.531 2.872 547 HB2 LYS 70 HB2 LYS 70 -2.389 16.589 3.800 548 HB3 LYS 70 HB3 LYS 70 -2.596 17.021 2.108 549 HG2 LYS 70 HG2 LYS 70 -4.957 17.643 2.637 550 HG3 LYS 70 HG3 LYS 70 -4.576 17.391 4.343 551 HD2 LYS 70 HD2 LYS 70 -3.265 19.370 2.479 552 HD3 LYS 70 HD3 LYS 70 -4.387 19.744 3.789 553 HE2 LYS 70 HE2 LYS 70 -2.361 18.210 4.955 554 HE3 LYS 70 HE3 LYS 70 -1.534 19.329 3.872 555 HZ1 LYS 70 HZ1 LYS 70 -1.760 20.350 6.000 556 HZ2 LYS 70 HZ2 LYS 70 -3.420 20.029 6.054 557 HZ3 LYS 70 HZ3 LYS 70 -2.810 21.143 4.938 558 H LEU 71 H LEU 71 -6.015 14.591 2.078 559 HA LEU 71 HA LEU 71 -7.133 14.914 4.732 560 HB2 LEU 71 HB2 LEU 71 -8.648 13.804 2.410 561 HB3 LEU 71 HB3 LEU 71 -9.223 14.799 3.745 562 HG LEU 71 HG LEU 71 -7.446 15.829 1.538 563 HD11 LEU 71 HD11 LEU 71 -9.359 16.699 0.455 564 HD12 LEU 71 HD12 LEU 71 -10.416 16.236 1.788 565 HD13 LEU 71 HD13 LEU 71 -9.696 14.995 0.763 566 HD21 LEU 71 HD21 LEU 71 -7.586 16.969 3.838 567 HD22 LEU 71 HD22 LEU 71 -9.223 17.416 3.360 568 HD23 LEU 71 HD23 LEU 71 -7.845 17.958 2.400 569 H GLN 72 H GLN 72 -8.971 13.058 5.083 570 HA GLN 72 HA GLN 72 -7.434 10.552 5.204 571 HB2 GLN 72 HB2 GLN 72 -8.711 11.973 7.221 572 HB3 GLN 72 HB3 GLN 72 -9.819 10.653 6.870 573 HG2 GLN 72 HG2 GLN 72 -8.135 9.025 7.321 574 HG3 GLN 72 HG3 GLN 72 -6.894 10.271 7.451 575 HE21 GLN 72 HE21 GLN 72 -6.502 9.225 9.529 576 HE22 GLN 72 HE22 GLN 72 -7.445 9.705 10.895 577 H VAL 73 H VAL 73 -8.841 8.545 5.236 578 HA VAL 73 HA VAL 73 -10.203 8.300 2.809 579 HB VAL 73 HB VAL 73 -9.290 6.331 3.779 580 HG11 VAL 73 HG11 VAL 73 -10.455 7.368 6.196 581 HG12 VAL 73 HG12 VAL 73 -10.905 5.677 5.965 582 HG13 VAL 73 HG13 VAL 73 -9.204 6.142 5.991 583 HG21 VAL 73 HG21 VAL 73 -12.045 5.536 4.313 584 HG22 VAL 73 HG22 VAL 73 -11.859 6.450 2.817 585 HG23 VAL 73 HG23 VAL 73 -10.925 4.977 3.071 586 H GLY 74 H GLY 74 -11.891 9.688 2.491 587 HA2 GLY 74 HA2 GLY 74 -14.204 10.047 2.477 588 HA3 GLY 74 HA3 GLY 74 -14.343 9.057 3.922 589 H GLU 75 H GLU 75 -11.994 11.604 3.808 590 HA GLU 75 HA GLU 75 -13.604 13.100 5.763 591 HB2 GLU 75 HB2 GLU 75 -10.995 12.177 5.927 592 HB3 GLU 75 HB3 GLU 75 -10.804 13.882 5.542 593 HG2 GLU 75 HG2 GLU 75 -10.781 13.692 7.896 594 HG3 GLU 75 HG3 GLU 75 -12.334 14.396 7.452 595 H VAL 76 H VAL 76 -14.162 15.174 5.405 596 HA VAL 76 HA VAL 76 -13.691 16.258 2.759 597 HB VAL 76 HB VAL 76 -15.284 17.420 5.049 598 HG11 VAL 76 HG11 VAL 76 -14.756 19.182 3.576 599 HG12 VAL 76 HG12 VAL 76 -15.019 18.175 2.151 600 HG13 VAL 76 HG13 VAL 76 -16.389 18.677 3.142 601 HG21 VAL 76 HG21 VAL 76 -16.938 16.023 4.547 602 HG22 VAL 76 HG22 VAL 76 -16.847 16.454 2.838 603 HG23 VAL 76 HG23 VAL 76 -15.829 15.163 3.477 604 H SER 77 H SER 77 -12.452 17.985 2.248 605 HA SER 77 HA SER 77 -10.483 18.832 4.165 606 HB2 SER 77 HB2 SER 77 -10.124 18.443 1.647 607 HB3 SER 77 HB3 SER 77 -10.872 20.024 1.424 608 HG SER 77 HG SER 77 -8.956 20.779 1.812 609 H GLU 78 H GLU 78 -10.004 21.453 3.549 610 HA GLU 78 HA GLU 78 -12.328 22.768 4.768 611 HB2 GLU 78 HB2 GLU 78 -10.543 24.624 5.143 612 HB3 GLU 78 HB3 GLU 78 -10.519 23.186 6.154 613 HG2 GLU 78 HG2 GLU 78 -8.908 23.048 3.696 614 HG3 GLU 78 HG3 GLU 78 -8.358 24.194 4.917 615 HA PRO 79 HA PRO 79 -13.190 25.276 1.274 616 HB2 PRO 79 HB2 PRO 79 -13.754 27.682 2.400 617 HB3 PRO 79 HB3 PRO 79 -14.834 26.288 2.522 618 HG2 PRO 79 HG2 PRO 79 -12.859 27.335 4.514 619 HG3 PRO 79 HG3 PRO 79 -14.513 26.751 4.779 620 HD2 PRO 79 HD2 PRO 79 -12.331 25.228 5.282 621 HD3 PRO 79 HD3 PRO 79 -13.872 24.537 4.733 622 H ILE 80 H ILE 80 -11.000 25.198 0.431 623 HA ILE 80 HA ILE 80 -9.123 27.258 1.128 624 HB ILE 80 HB ILE 80 -9.042 25.477 -1.304 625 HG12 ILE 80 HG12 ILE 80 -9.310 24.163 0.793 626 HG13 ILE 80 HG13 ILE 80 -7.760 23.892 0.004 627 HG21 ILE 80 HG21 ILE 80 -7.336 26.902 -1.702 628 HG22 ILE 80 HG22 ILE 80 -7.180 27.362 -0.007 629 HG23 ILE 80 HG23 ILE 80 -6.486 25.845 -0.577 630 HD11 ILE 80 HD11 ILE 80 -8.259 24.673 2.663 631 HD12 ILE 80 HD12 ILE 80 -6.704 24.445 1.861 632 HD13 ILE 80 HD13 ILE 80 -7.475 26.030 1.856 633 H LYS 81 H LYS 81 -9.519 29.301 0.585 634 HA LYS 81 HA LYS 81 -11.141 30.041 -1.649 635 HB2 LYS 81 HB2 LYS 81 -11.064 31.401 0.388 636 HB3 LYS 81 HB3 LYS 81 -9.356 31.724 0.120 637 HG2 LYS 81 HG2 LYS 81 -9.892 33.502 -1.075 638 HG3 LYS 81 HG3 LYS 81 -10.726 32.466 -2.235 639 HD2 LYS 81 HD2 LYS 81 -12.480 33.780 -1.629 640 HD3 LYS 81 HD3 LYS 81 -12.613 32.564 -0.358 641 HE2 LYS 81 HE2 LYS 81 -11.700 33.961 1.251 642 HE3 LYS 81 HE3 LYS 81 -10.914 34.990 0.054 643 HZ1 LYS 81 HZ1 LYS 81 -13.675 35.090 -0.380 644 HZ2 LYS 81 HZ2 LYS 81 -12.651 36.336 0.129 645 HZ3 LYS 81 HZ3 LYS 81 -13.408 35.344 1.271 646 H SER 82 H SER 82 -10.471 29.917 -3.681 647 HA SER 82 HA SER 82 -7.743 30.816 -4.315 648 HB2 SER 82 HB2 SER 82 -8.915 28.661 -5.997 649 HB3 SER 82 HB3 SER 82 -7.234 28.955 -5.551 650 HG SER 82 HG SER 82 -8.129 27.087 -4.535 651 H GLU 83 H GLU 83 -7.742 30.720 -6.992 652 HA GLU 83 HA GLU 83 -9.169 32.990 -7.760 653 HB2 GLU 83 HB2 GLU 83 -8.497 32.437 -10.054 654 HB3 GLU 83 HB3 GLU 83 -7.161 32.239 -8.929 655 HG2 GLU 83 HG2 GLU 83 -7.751 29.781 -8.872 656 HG3 GLU 83 HG3 GLU 83 -8.808 30.103 -10.245 657 H PHE 84 H PHE 84 -10.117 29.675 -7.652 658 HA PHE 84 HA PHE 84 -12.474 30.176 -9.311 659 HB2 PHE 84 HB2 PHE 84 -11.638 27.566 -8.042 660 HB3 PHE 84 HB3 PHE 84 -12.799 27.799 -9.345 661 HD1 PHE 84 HD1 PHE 84 -11.628 29.309 -11.345 662 HD2 PHE 84 HD2 PHE 84 -9.696 26.575 -8.717 663 HE1 PHE 84 HE1 PHE 84 -9.836 28.990 -13.001 664 HE2 PHE 84 HE2 PHE 84 -7.900 26.252 -10.368 665 HZ PHE 84 HZ PHE 84 -7.968 27.461 -12.512 666 H GLY 85 H GLY 85 -11.509 29.973 -6.036 667 HA2 GLY 85 HA2 GLY 85 -13.200 30.966 -4.494 668 HA3 GLY 85 HA3 GLY 85 -14.342 29.836 -5.205 669 H TYR 86 H TYR 86 -14.759 29.067 -3.060 670 HA TYR 86 HA TYR 86 -12.673 27.847 -1.523 671 HB2 TYR 86 HB2 TYR 86 -15.685 27.716 -1.281 672 HB3 TYR 86 HB3 TYR 86 -14.568 27.006 -0.120 673 HD1 TYR 86 HD2 TYR 86 -12.631 28.823 0.580 674 HD2 TYR 86 HD1 TYR 86 -16.613 29.713 -0.624 675 HE1 TYR 86 HE2 TYR 86 -12.509 30.966 1.782 676 HE2 TYR 86 HE1 TYR 86 -16.502 31.859 0.573 677 HH TYR 86 HH TYR 86 -13.514 32.970 2.077 678 H HIS 87 H HIS 87 -11.791 25.935 -1.891 679 HA HIS 87 HA HIS 87 -13.201 24.011 -3.591 680 HB2 HIS 87 HB2 HIS 87 -10.312 24.292 -2.772 681 HB3 HIS 87 HB3 HIS 87 -10.923 22.857 -3.590 682 HD1 HIS 87 HD1 HIS 87 -11.280 23.003 -6.091 683 HD2 HIS 87 HD2 HIS 87 -10.346 26.666 -4.368 684 HE1 HIS 87 HE1 HIS 87 -10.855 24.562 -8.017 685 H ILE 88 H ILE 88 -14.145 22.276 -2.755 686 HA ILE 88 HA ILE 88 -13.412 21.469 -0.018 687 HB ILE 88 HB ILE 88 -16.044 21.064 -1.443 688 HG12 ILE 88 HG12 ILE 88 -15.707 23.399 -0.822 689 HG13 ILE 88 HG13 ILE 88 -16.918 22.669 0.225 690 HG21 ILE 88 HG21 ILE 88 -16.508 20.617 1.201 691 HG22 ILE 88 HG22 ILE 88 -16.221 19.359 0.001 692 HG23 ILE 88 HG23 ILE 88 -14.892 19.939 1.004 693 HD11 ILE 88 HD11 ILE 88 -15.631 23.889 1.695 694 HD12 ILE 88 HD12 ILE 88 -14.935 22.273 1.833 695 HD13 ILE 88 HD13 ILE 88 -14.126 23.502 0.861 696 H ILE 89 H ILE 89 -11.744 20.078 -0.743 697 HA ILE 89 HA ILE 89 -12.346 17.921 -2.559 698 HB ILE 89 HB ILE 89 -9.912 18.145 -0.799 699 HG12 ILE 89 HG12 ILE 89 -9.182 19.063 -3.304 700 HG13 ILE 89 HG13 ILE 89 -10.754 19.813 -3.047 701 HG21 ILE 89 HG21 ILE 89 -9.174 16.356 -1.892 702 HG22 ILE 89 HG22 ILE 89 -10.778 16.205 -2.610 703 HG23 ILE 89 HG23 ILE 89 -9.516 17.104 -3.453 704 HD11 ILE 89 HD11 ILE 89 -9.560 21.400 -2.025 705 HD12 ILE 89 HD12 ILE 89 -9.555 20.279 -0.664 706 HD13 ILE 89 HD13 ILE 89 -8.178 20.337 -1.764 707 H LYS 90 H LYS 90 -12.953 15.900 -2.070 708 HA LYS 90 HA LYS 90 -12.824 15.024 0.731 709 HB2 LYS 90 HB2 LYS 90 -15.109 15.807 0.276 710 HB3 LYS 90 HB3 LYS 90 -15.213 14.714 -1.097 711 HG2 LYS 90 HG2 LYS 90 -14.775 12.843 0.582 712 HG3 LYS 90 HG3 LYS 90 -15.130 14.046 1.825 713 HD2 LYS 90 HD2 LYS 90 -17.342 14.302 1.107 714 HD3 LYS 90 HD3 LYS 90 -17.013 13.563 -0.463 715 HE2 LYS 90 HE2 LYS 90 -16.740 11.398 0.572 716 HE3 LYS 90 HE3 LYS 90 -16.918 12.105 2.176 717 HZ1 LYS 90 HZ1 LYS 90 -19.184 12.755 1.571 718 HZ2 LYS 90 HZ2 LYS 90 -18.969 11.080 1.489 719 HZ3 LYS 90 HZ3 LYS 90 -19.007 11.998 0.068 720 H ARG 91 H ARG 91 -11.708 13.202 0.863 721 HA ARG 91 HA ARG 91 -11.009 11.660 -1.417 722 HB2 ARG 91 HB2 ARG 91 -9.597 11.917 0.632 723 HB3 ARG 91 HB3 ARG 91 -10.737 10.890 1.491 724 HG2 ARG 91 HG2 ARG 91 -10.018 8.996 0.471 725 HG3 ARG 91 HG3 ARG 91 -9.594 9.831 -1.025 726 HD2 ARG 91 HD2 ARG 91 -7.685 10.882 0.252 727 HD3 ARG 91 HD3 ARG 91 -8.049 9.753 1.557 728 HE ARG 91 HE ARG 91 -6.665 9.178 -0.866 729 HH11 ARG 91 HH11 ARG 91 -8.809 7.819 1.517 730 HH12 ARG 91 HH12 ARG 91 -8.302 6.187 1.232 731 HH21 ARG 91 HH21 ARG 91 -5.989 7.033 -1.249 732 HH22 ARG 91 HH22 ARG 91 -6.698 5.741 -0.340 733 H PHE 92 H PHE 92 -11.678 9.633 -2.062 734 HA PHE 92 HA PHE 92 -14.146 8.638 -0.793 735 HB2 PHE 92 HB2 PHE 92 -13.417 9.018 -3.660 736 HB3 PHE 92 HB3 PHE 92 -14.440 7.647 -3.242 737 HD1 PHE 92 HD1 PHE 92 -14.256 11.200 -2.107 738 HD2 PHE 92 HD2 PHE 92 -16.637 8.065 -3.724 739 HE1 PHE 92 HE1 PHE 92 -16.220 12.682 -2.078 740 HE2 PHE 92 HE2 PHE 92 -18.605 9.542 -3.699 741 HZ PHE 92 HZ PHE 92 -18.398 11.854 -2.876 742 H GLY 93 H GLY 93 -11.064 7.841 -2.247 743 HA2 GLY 93 HA2 GLY 93 -11.237 5.089 -2.472 744 HA3 GLY 93 HA3 GLY 93 -9.761 5.957 -2.076 Start of MODEL 16 1 H1 GLY 1 H GLY 1 1.194 -1.727 -2.389 2 HA2 GLY 1 HA2 GLY 1 0.943 -2.025 -4.876 3 HA3 GLY 1 HA3 GLY 1 -0.660 -1.338 -4.655 4 HA PRO 2 HA PRO 2 2.548 1.988 -5.609 5 HB2 PRO 2 HB2 PRO 2 1.512 2.758 -7.996 6 HB3 PRO 2 HB3 PRO 2 2.731 1.487 -7.843 7 HG2 PRO 2 HG2 PRO 2 -0.235 1.240 -8.164 8 HG3 PRO 2 HG3 PRO 2 1.057 0.312 -8.950 9 HD2 PRO 2 HD2 PRO 2 -0.344 -0.642 -6.839 10 HD3 PRO 2 HD3 PRO 2 1.359 -1.057 -7.121 11 H SER 3 H SER 3 1.931 3.568 -4.254 12 HA SER 3 HA SER 3 -0.788 4.619 -4.371 13 HB2 SER 3 HB2 SER 3 0.082 5.998 -2.369 14 HB3 SER 3 HB3 SER 3 -0.116 4.260 -2.144 15 HG SER 3 HG SER 3 1.886 4.820 -1.358 16 H ASN 4 H ASN 4 -0.208 5.461 -6.588 17 HA ASN 4 HA ASN 4 1.335 7.950 -6.493 18 HB2 ASN 4 HB2 ASN 4 0.473 6.103 -8.682 19 HB3 ASN 4 HB3 ASN 4 0.790 7.790 -9.072 20 HD21 ASN 4 HD21 ASN 4 2.132 4.745 -8.487 21 HD22 ASN 4 HD22 ASN 4 3.798 5.202 -8.519 22 H LYS 5 H LYS 5 -1.869 6.705 -7.319 23 HA LYS 5 HA LYS 5 -2.881 9.470 -7.219 24 HB2 LYS 5 HB2 LYS 5 -4.779 8.268 -8.691 25 HB3 LYS 5 HB3 LYS 5 -3.377 9.060 -9.398 26 HG2 LYS 5 HG2 LYS 5 -2.227 6.918 -9.551 27 HG3 LYS 5 HG3 LYS 5 -3.618 6.115 -8.819 28 HD2 LYS 5 HD2 LYS 5 -3.886 5.765 -11.120 29 HD3 LYS 5 HD3 LYS 5 -4.976 7.104 -10.749 30 HE2 LYS 5 HE2 LYS 5 -3.672 8.644 -11.840 31 HE3 LYS 5 HE3 LYS 5 -2.187 7.729 -11.583 32 HZ1 LYS 5 HZ1 LYS 5 -4.244 7.383 -13.653 33 HZ2 LYS 5 HZ2 LYS 5 -3.326 6.046 -13.172 34 HZ3 LYS 5 HZ3 LYS 5 -2.559 7.413 -13.809 35 H ILE 6 H ILE 6 -5.173 9.638 -6.567 36 HA ILE 6 HA ILE 6 -6.257 7.401 -5.064 37 HB ILE 6 HB ILE 6 -6.536 8.719 -2.997 38 HG12 ILE 6 HG12 ILE 6 -4.446 10.642 -3.925 39 HG13 ILE 6 HG13 ILE 6 -6.116 10.920 -4.408 40 HG21 ILE 6 HG21 ILE 6 -3.625 8.559 -3.739 41 HG22 ILE 6 HG22 ILE 6 -4.355 8.354 -2.148 42 HG23 ILE 6 HG23 ILE 6 -4.615 7.140 -3.400 43 HD11 ILE 6 HD11 ILE 6 -5.114 10.671 -1.582 44 HD12 ILE 6 HD12 ILE 6 -5.559 12.167 -2.405 45 HD13 ILE 6 HD13 ILE 6 -6.787 10.949 -2.065 46 H LYS 7 H LYS 7 -8.459 7.686 -4.459 47 HA LYS 7 HA LYS 7 -9.943 9.270 -6.321 48 HB2 LYS 7 HB2 LYS 7 -10.439 7.027 -4.671 49 HB3 LYS 7 HB3 LYS 7 -11.585 8.270 -4.184 50 HG2 LYS 7 HG2 LYS 7 -11.984 8.491 -6.760 51 HG3 LYS 7 HG3 LYS 7 -11.311 6.859 -6.793 52 HD2 LYS 7 HD2 LYS 7 -13.330 6.092 -6.257 53 HD3 LYS 7 HD3 LYS 7 -13.151 6.871 -4.683 54 HE2 LYS 7 HE2 LYS 7 -14.171 8.895 -5.535 55 HE3 LYS 7 HE3 LYS 7 -14.261 8.201 -7.153 56 HZ1 LYS 7 HZ1 LYS 7 -16.340 8.151 -5.681 57 HZ2 LYS 7 HZ2 LYS 7 -15.581 6.873 -4.874 58 HZ3 LYS 7 HZ3 LYS 7 -15.928 6.744 -6.525 59 H CYS 8 H CYS 8 -11.277 11.029 -5.930 60 HA CYS 8 HA CYS 8 -11.810 12.148 -3.414 61 HB2 CYS 8 HB2 CYS 8 -10.331 14.146 -3.530 62 HB3 CYS 8 HB3 CYS 8 -9.447 12.643 -3.287 63 HG CYS 8 HG CYS 8 -9.038 14.905 -5.605 64 H SER 9 H SER 9 -12.882 14.237 -3.558 65 HA SER 9 HA SER 9 -13.874 14.786 -6.279 66 HB2 SER 9 HB2 SER 9 -15.411 15.153 -3.699 67 HB3 SER 9 HB3 SER 9 -16.032 15.338 -5.339 68 HG SER 9 HG SER 9 -14.875 12.896 -4.607 69 H HIS 10 H HIS 10 -15.294 17.076 -5.789 70 HA HIS 10 HA HIS 10 -13.869 19.021 -4.299 71 HB2 HIS 10 HB2 HIS 10 -12.973 20.330 -6.207 72 HB3 HIS 10 HB3 HIS 10 -12.184 18.766 -6.028 73 HD1 HIS 10 HD1 HIS 10 -13.728 20.873 -8.498 74 HD2 HIS 10 HD2 HIS 10 -13.335 16.777 -7.926 75 HE1 HIS 10 HE1 HIS 10 -14.185 19.834 -10.741 76 H ILE 11 H ILE 11 -14.927 21.005 -4.243 77 HA ILE 11 HA ILE 11 -17.200 21.420 -6.022 78 HB ILE 11 HB ILE 11 -17.460 21.248 -3.021 79 HG12 ILE 11 HG12 ILE 11 -18.967 19.807 -5.212 80 HG13 ILE 11 HG13 ILE 11 -17.598 19.124 -4.341 81 HG21 ILE 11 HG21 ILE 11 -19.977 21.721 -4.041 82 HG22 ILE 11 HG22 ILE 11 -18.960 22.889 -3.198 83 HG23 ILE 11 HG23 ILE 11 -18.947 22.820 -4.961 84 HD11 ILE 11 HD11 ILE 11 -20.222 19.960 -3.131 85 HD12 ILE 11 HD12 ILE 11 -19.699 18.307 -3.454 86 HD13 ILE 11 HD13 ILE 11 -18.851 19.283 -2.254 87 H LEU 12 H LEU 12 -17.178 23.455 -6.692 88 HA LEU 12 HA LEU 12 -15.732 25.453 -5.106 89 HB2 LEU 12 HB2 LEU 12 -16.323 25.096 -7.991 90 HB3 LEU 12 HB3 LEU 12 -16.188 26.746 -7.386 91 HG LEU 12 HG LEU 12 -14.083 26.036 -8.330 92 HD11 LEU 12 HD11 LEU 12 -14.289 27.374 -6.107 93 HD12 LEU 12 HD12 LEU 12 -12.713 26.788 -6.638 94 HD13 LEU 12 HD13 LEU 12 -13.600 25.920 -5.386 95 HD21 LEU 12 HD21 LEU 12 -13.081 24.049 -7.969 96 HD22 LEU 12 HD22 LEU 12 -14.712 23.539 -7.529 97 HD23 LEU 12 HD23 LEU 12 -13.559 23.992 -6.272 98 H VAL 13 H VAL 13 -16.652 27.383 -4.488 99 HA VAL 13 HA VAL 13 -19.418 27.943 -5.205 100 HB VAL 13 HB VAL 13 -20.176 28.167 -2.909 101 HG11 VAL 13 HG11 VAL 13 -18.920 25.453 -3.298 102 HG12 VAL 13 HG12 VAL 13 -20.344 25.839 -2.330 103 HG13 VAL 13 HG13 VAL 13 -20.402 25.991 -4.087 104 HG21 VAL 13 HG21 VAL 13 -17.505 27.037 -2.083 105 HG22 VAL 13 HG22 VAL 13 -17.970 28.732 -1.933 106 HG23 VAL 13 HG23 VAL 13 -18.835 27.496 -1.019 107 H SER 14 H SER 14 -20.098 30.012 -3.819 108 HA SER 14 HA SER 14 -17.836 31.898 -3.965 109 HB2 SER 14 HB2 SER 14 -20.633 32.095 -4.994 110 HB3 SER 14 HB3 SER 14 -19.855 33.566 -4.407 111 HG SER 14 HG SER 14 -18.447 33.490 -6.018 112 H LYS 15 H LYS 15 -19.456 30.319 -1.780 113 HA LYS 15 HA LYS 15 -19.423 32.540 0.122 114 HB2 LYS 15 HB2 LYS 15 -21.725 30.596 -0.137 115 HB3 LYS 15 HB3 LYS 15 -21.553 31.814 1.119 116 HG2 LYS 15 HG2 LYS 15 -21.897 33.577 -0.390 117 HG3 LYS 15 HG3 LYS 15 -21.637 32.536 -1.792 118 HD2 LYS 15 HD2 LYS 15 -24.006 33.041 -1.509 119 HD3 LYS 15 HD3 LYS 15 -23.697 31.320 -1.268 120 HE2 LYS 15 HE2 LYS 15 -23.870 31.537 1.094 121 HE3 LYS 15 HE3 LYS 15 -23.862 33.298 0.996 122 HZ1 LYS 15 HZ1 LYS 15 -25.976 32.250 -0.559 123 HZ2 LYS 15 HZ2 LYS 15 -26.051 33.300 0.765 124 HZ3 LYS 15 HZ3 LYS 15 -26.066 31.626 1.012 125 H GLN 16 H GLN 16 -18.887 31.965 2.217 126 HA GLN 16 HA GLN 16 -17.349 29.610 2.525 127 HB2 GLN 16 HB2 GLN 16 -18.387 31.471 4.669 128 HB3 GLN 16 HB3 GLN 16 -17.072 30.316 4.846 129 HG2 GLN 16 HG2 GLN 16 -15.611 31.578 3.600 130 HG3 GLN 16 HG3 GLN 16 -16.901 32.419 2.742 131 HE21 GLN 16 HE21 GLN 16 -16.765 34.493 3.201 132 HE22 GLN 16 HE22 GLN 16 -16.544 35.175 4.772 133 H SER 17 H SER 17 -20.593 30.526 3.562 134 HA SER 17 HA SER 17 -21.050 28.207 5.144 135 HB2 SER 17 HB2 SER 17 -22.335 30.305 5.425 136 HB3 SER 17 HB3 SER 17 -23.072 30.049 3.844 137 HG SER 17 HG SER 17 -24.514 29.032 5.006 138 H GLU 18 H GLU 18 -20.907 28.707 1.807 139 HA GLU 18 HA GLU 18 -22.744 26.558 1.133 140 HB2 GLU 18 HB2 GLU 18 -21.129 28.528 -0.443 141 HB3 GLU 18 HB3 GLU 18 -21.754 27.087 -1.229 142 HG2 GLU 18 HG2 GLU 18 -24.028 27.782 -0.303 143 HG3 GLU 18 HG3 GLU 18 -23.276 29.343 0.021 144 H ALA 19 H ALA 19 -19.283 27.194 1.212 145 HA ALA 19 HA ALA 19 -18.630 24.596 0.114 146 HB1 ALA 19 HB1 ALA 19 -16.769 25.656 -0.456 147 HB2 ALA 19 HB2 ALA 19 -17.270 27.074 0.467 148 HB3 ALA 19 HB3 ALA 19 -16.339 25.797 1.249 149 H LEU 20 H LEU 20 -18.486 26.227 3.251 150 HA LEU 20 HA LEU 20 -17.273 24.041 4.617 151 HB2 LEU 20 HB2 LEU 20 -17.325 26.503 5.294 152 HB3 LEU 20 HB3 LEU 20 -18.950 26.182 5.892 153 HG LEU 20 HG LEU 20 -17.714 24.276 7.233 154 HD11 LEU 20 HD11 LEU 20 -15.531 24.526 6.323 155 HD12 LEU 20 HD12 LEU 20 -15.482 25.132 7.977 156 HD13 LEU 20 HD13 LEU 20 -15.536 26.264 6.627 157 HD21 LEU 20 HD21 LEU 20 -18.979 26.229 8.126 158 HD22 LEU 20 HD22 LEU 20 -17.485 27.164 8.068 159 HD23 LEU 20 HD23 LEU 20 -17.600 25.749 9.116 160 H ALA 21 H ALA 21 -20.440 24.667 3.541 161 HA ALA 21 HA ALA 21 -21.898 23.252 5.527 162 HB1 ALA 21 HB1 ALA 21 -23.445 23.063 3.286 163 HB2 ALA 21 HB2 ALA 21 -23.434 24.429 4.401 164 HB3 ALA 21 HB3 ALA 21 -22.457 24.482 2.934 165 H ILE 22 H ILE 22 -19.810 22.230 3.068 166 HA ILE 22 HA ILE 22 -21.018 19.765 2.363 167 HB ILE 22 HB ILE 22 -18.096 20.527 2.288 168 HG12 ILE 22 HG12 ILE 22 -19.448 22.057 0.964 169 HG13 ILE 22 HG13 ILE 22 -18.536 20.997 -0.105 170 HG21 ILE 22 HG21 ILE 22 -18.108 18.214 2.089 171 HG22 ILE 22 HG22 ILE 22 -19.631 18.199 1.199 172 HG23 ILE 22 HG23 ILE 22 -18.154 18.755 0.411 173 HD11 ILE 22 HD11 ILE 22 -20.590 20.980 -1.104 174 HD12 ILE 22 HD12 ILE 22 -20.724 19.570 -0.053 175 HD13 ILE 22 HD13 ILE 22 -21.458 21.099 0.425 176 H MET 23 H MET 23 -18.963 20.776 5.000 177 HA MET 23 HA MET 23 -18.608 18.022 5.903 178 HB2 MET 23 HB2 MET 23 -17.192 19.083 7.682 179 HB3 MET 23 HB3 MET 23 -16.626 19.353 6.038 180 HG2 MET 23 HG2 MET 23 -17.463 21.587 6.044 181 HG3 MET 23 HG3 MET 23 -18.272 21.334 7.588 182 HE1 MET 23 HE1 MET 23 -17.636 23.011 8.788 183 HE2 MET 23 HE2 MET 23 -16.705 22.188 10.040 184 HE3 MET 23 HE3 MET 23 -16.027 23.593 9.216 185 H GLU 24 H GLU 24 -21.124 19.878 5.995 186 HA GLU 24 HA GLU 24 -21.784 19.253 8.798 187 HB2 GLU 24 HB2 GLU 24 -23.071 21.532 7.331 188 HB3 GLU 24 HB3 GLU 24 -22.952 21.258 9.064 189 HG2 GLU 24 HG2 GLU 24 -20.330 21.465 8.335 190 HG3 GLU 24 HG3 GLU 24 -21.114 22.605 7.242 191 H LYS 25 H LYS 25 -23.193 19.928 5.599 192 HA LYS 25 HA LYS 25 -25.737 18.886 6.100 193 HB2 LYS 25 HB2 LYS 25 -24.123 19.450 3.665 194 HB3 LYS 25 HB3 LYS 25 -25.531 18.412 3.477 195 HG2 LYS 25 HG2 LYS 25 -26.029 20.765 3.009 196 HG3 LYS 25 HG3 LYS 25 -26.970 20.138 4.365 197 HD2 LYS 25 HD2 LYS 25 -25.416 21.184 5.934 198 HD3 LYS 25 HD3 LYS 25 -24.454 21.793 4.585 199 HE2 LYS 25 HE2 LYS 25 -25.830 23.582 5.327 200 HE3 LYS 25 HE3 LYS 25 -26.505 23.010 3.802 201 HZ1 LYS 25 HZ1 LYS 25 -27.509 22.328 6.514 202 HZ2 LYS 25 HZ2 LYS 25 -28.146 21.742 5.060 203 HZ3 LYS 25 HZ3 LYS 25 -28.242 23.392 5.422 204 H LEU 26 H LEU 26 -22.959 17.307 4.514 205 HA LEU 26 HA LEU 26 -24.131 14.793 4.198 206 HB2 LEU 26 HB2 LEU 26 -21.215 15.373 4.690 207 HB3 LEU 26 HB3 LEU 26 -21.891 13.942 3.912 208 HG LEU 26 HG LEU 26 -21.844 16.754 2.822 209 HD11 LEU 26 HD11 LEU 26 -20.628 15.379 0.963 210 HD12 LEU 26 HD12 LEU 26 -20.322 14.247 2.280 211 HD13 LEU 26 HD13 LEU 26 -19.750 15.912 2.397 212 HD21 LEU 26 HD21 LEU 26 -22.736 15.429 0.754 213 HD22 LEU 26 HD22 LEU 26 -23.854 16.002 1.992 214 HD23 LEU 26 HD23 LEU 26 -23.341 14.314 1.979 215 H LYS 27 H LYS 27 -22.806 16.336 6.995 216 HA LYS 27 HA LYS 27 -22.141 14.154 8.589 217 HB2 LYS 27 HB2 LYS 27 -21.901 16.708 9.020 218 HB3 LYS 27 HB3 LYS 27 -23.506 16.576 9.727 219 HG2 LYS 27 HG2 LYS 27 -22.670 14.898 11.301 220 HG3 LYS 27 HG3 LYS 27 -21.057 15.054 10.600 221 HD2 LYS 27 HD2 LYS 27 -21.014 17.420 11.245 222 HD3 LYS 27 HD3 LYS 27 -22.620 17.251 11.959 223 HE2 LYS 27 HE2 LYS 27 -21.216 17.034 13.792 224 HE3 LYS 27 HE3 LYS 27 -21.542 15.359 13.352 225 HZ1 LYS 27 HZ1 LYS 27 -19.125 16.141 13.811 226 HZ2 LYS 27 HZ2 LYS 27 -19.191 16.710 12.220 227 HZ3 LYS 27 HZ3 LYS 27 -19.433 15.066 12.542 228 H SER 28 H SER 28 -25.237 15.331 7.596 229 HA SER 28 HA SER 28 -26.708 13.934 9.650 230 HB2 SER 28 HB2 SER 28 -27.612 16.010 8.727 231 HB3 SER 28 HB3 SER 28 -27.651 15.297 7.115 232 HG SER 28 HG SER 28 -29.497 15.164 9.027 233 H GLY 29 H GLY 29 -25.494 13.265 6.486 234 HA2 GLY 29 HA2 GLY 29 -25.305 10.808 6.064 235 HA3 GLY 29 HA3 GLY 29 -27.015 10.730 6.460 236 H GLU 30 H GLU 30 -25.648 13.352 4.599 237 HA GLU 30 HA GLU 30 -27.386 12.651 2.379 238 HB2 GLU 30 HB2 GLU 30 -25.528 15.015 2.467 239 HB3 GLU 30 HB3 GLU 30 -27.028 14.835 1.570 240 HG2 GLU 30 HG2 GLU 30 -26.819 15.029 4.565 241 HG3 GLU 30 HG3 GLU 30 -27.236 16.357 3.484 242 H LYS 31 H LYS 31 -26.032 13.668 0.221 243 HA LYS 31 HA LYS 31 -23.710 11.870 -0.019 244 HB2 LYS 31 HB2 LYS 31 -25.961 11.356 -1.287 245 HB3 LYS 31 HB3 LYS 31 -25.376 12.587 -2.397 246 HG2 LYS 31 HG2 LYS 31 -24.362 10.884 -3.422 247 HG3 LYS 31 HG3 LYS 31 -23.173 11.016 -2.124 248 HD2 LYS 31 HD2 LYS 31 -25.626 9.316 -1.818 249 HD3 LYS 31 HD3 LYS 31 -24.186 8.701 -2.635 250 HE2 LYS 31 HE2 LYS 31 -23.569 8.068 -0.569 251 HE3 LYS 31 HE3 LYS 31 -23.094 9.757 -0.390 252 HZ1 LYS 31 HZ1 LYS 31 -25.260 8.310 0.855 253 HZ2 LYS 31 HZ2 LYS 31 -25.702 9.830 0.257 254 HZ3 LYS 31 HZ3 LYS 31 -24.441 9.696 1.378 255 H PHE 32 H PHE 32 -21.871 12.704 -0.827 256 HA PHE 32 HA PHE 32 -21.421 15.439 -0.908 257 HB2 PHE 32 HB2 PHE 32 -19.639 13.741 -0.676 258 HB3 PHE 32 HB3 PHE 32 -19.860 13.294 -2.365 259 HD1 PHE 32 HD1 PHE 32 -19.389 15.020 -4.140 260 HD2 PHE 32 HD2 PHE 32 -18.257 15.525 -0.068 261 HE1 PHE 32 HE1 PHE 32 -17.766 16.745 -4.808 262 HE2 PHE 32 HE2 PHE 32 -16.632 17.250 -0.730 263 HZ PHE 32 HZ PHE 32 -16.384 17.861 -3.102 264 H GLY 33 H GLY 33 -22.038 13.201 -3.596 265 HA2 GLY 33 HA2 GLY 33 -21.725 15.010 -5.702 266 HA3 GLY 33 HA3 GLY 33 -22.743 13.577 -5.746 267 H LYS 34 H LYS 34 -24.558 14.324 -3.702 268 HA LYS 34 HA LYS 34 -26.471 15.724 -5.157 269 HB2 LYS 34 HB2 LYS 34 -26.210 15.263 -2.185 270 HB3 LYS 34 HB3 LYS 34 -27.627 15.998 -2.924 271 HG2 LYS 34 HG2 LYS 34 -26.640 13.328 -3.843 272 HG3 LYS 34 HG3 LYS 34 -27.651 13.477 -2.405 273 HD2 LYS 34 HD2 LYS 34 -28.493 14.796 -4.952 274 HD3 LYS 34 HD3 LYS 34 -28.744 13.061 -4.739 275 HE2 LYS 34 HE2 LYS 34 -29.647 15.058 -2.686 276 HE3 LYS 34 HE3 LYS 34 -30.650 14.636 -4.072 277 HZ1 LYS 34 HZ1 LYS 34 -30.097 13.131 -1.684 278 HZ2 LYS 34 HZ2 LYS 34 -29.919 12.224 -3.100 279 HZ3 LYS 34 HZ3 LYS 34 -31.386 12.999 -2.771 280 H LEU 35 H LEU 35 -23.866 16.885 -3.208 281 HA LEU 35 HA LEU 35 -24.962 19.601 -3.185 282 HB2 LEU 35 HB2 LEU 35 -22.345 18.827 -1.966 283 HB3 LEU 35 HB3 LEU 35 -23.447 20.124 -1.507 284 HG LEU 35 HG LEU 35 -23.840 17.176 -0.999 285 HD11 LEU 35 HD11 LEU 35 -22.907 19.474 0.652 286 HD12 LEU 35 HD12 LEU 35 -22.319 17.813 0.596 287 HD13 LEU 35 HD13 LEU 35 -23.837 18.184 1.414 288 HD21 LEU 35 HD21 LEU 35 -25.649 18.628 0.518 289 HD22 LEU 35 HD22 LEU 35 -26.011 17.656 -0.910 290 HD23 LEU 35 HD23 LEU 35 -25.709 19.387 -1.074 291 H ALA 36 H ALA 36 -22.511 17.639 -4.663 292 HA ALA 36 HA ALA 36 -20.959 19.825 -5.687 293 HB1 ALA 36 HB1 ALA 36 -20.085 17.508 -5.239 294 HB2 ALA 36 HB2 ALA 36 -20.950 16.986 -6.685 295 HB3 ALA 36 HB3 ALA 36 -19.665 18.187 -6.812 296 H LYS 37 H LYS 37 -23.826 18.197 -6.638 297 HA LYS 37 HA LYS 37 -23.624 18.948 -9.430 298 HB2 LYS 37 HB2 LYS 37 -24.785 16.845 -8.432 299 HB3 LYS 37 HB3 LYS 37 -26.126 17.938 -8.112 300 HG2 LYS 37 HG2 LYS 37 -26.633 18.190 -10.321 301 HG3 LYS 37 HG3 LYS 37 -24.976 17.894 -10.851 302 HD2 LYS 37 HD2 LYS 37 -26.232 16.006 -11.526 303 HD3 LYS 37 HD3 LYS 37 -25.304 15.498 -10.113 304 HE2 LYS 37 HE2 LYS 37 -27.154 15.306 -8.799 305 HE3 LYS 37 HE3 LYS 37 -28.015 16.598 -9.635 306 HZ1 LYS 37 HZ1 LYS 37 -28.999 15.141 -10.973 307 HZ2 LYS 37 HZ2 LYS 37 -28.451 13.925 -9.933 308 HZ3 LYS 37 HZ3 LYS 37 -27.555 14.325 -11.311 309 H GLU 38 H GLU 38 -24.117 20.704 -6.784 310 HA GLU 38 HA GLU 38 -25.843 22.602 -8.202 311 HB2 GLU 38 HB2 GLU 38 -26.149 21.932 -5.271 312 HB3 GLU 38 HB3 GLU 38 -27.092 23.107 -6.177 313 HG2 GLU 38 HG2 GLU 38 -27.052 20.241 -7.014 314 HG3 GLU 38 HG3 GLU 38 -28.087 20.774 -5.691 315 H LEU 39 H LEU 39 -24.048 22.293 -5.131 316 HA LEU 39 HA LEU 39 -23.367 24.980 -4.876 317 HB2 LEU 39 HB2 LEU 39 -21.859 22.546 -3.933 318 HB3 LEU 39 HB3 LEU 39 -21.564 24.195 -3.384 319 HG LEU 39 HG LEU 39 -24.008 22.505 -2.883 320 HD11 LEU 39 HD11 LEU 39 -22.818 23.707 -0.581 321 HD12 LEU 39 HD12 LEU 39 -21.584 22.836 -1.492 322 HD13 LEU 39 HD13 LEU 39 -23.039 21.999 -0.956 323 HD21 LEU 39 HD21 LEU 39 -24.453 24.670 -1.396 324 HD22 LEU 39 HD22 LEU 39 -25.062 24.507 -3.042 325 HD23 LEU 39 HD23 LEU 39 -23.593 25.433 -2.732 326 H SER 40 H SER 40 -21.457 22.318 -6.269 327 HA SER 40 HA SER 40 -19.169 23.687 -6.948 328 HB2 SER 40 HB2 SER 40 -19.976 21.161 -7.326 329 HB3 SER 40 HB3 SER 40 -20.207 21.764 -8.967 330 HG SER 40 HG SER 40 -17.974 20.958 -7.931 331 H ILE 41 H ILE 41 -19.200 25.667 -7.829 332 HA ILE 41 HA ILE 41 -21.095 26.461 -9.822 333 HB ILE 41 HB ILE 41 -19.709 28.533 -9.972 334 HG12 ILE 41 HG12 ILE 41 -18.168 27.700 -7.573 335 HG13 ILE 41 HG13 ILE 41 -17.645 27.040 -9.119 336 HG21 ILE 41 HG21 ILE 41 -21.291 27.576 -7.823 337 HG22 ILE 41 HG22 ILE 41 -19.991 28.557 -7.147 338 HG23 ILE 41 HG23 ILE 41 -21.067 29.238 -8.368 339 HD11 ILE 41 HD11 ILE 41 -17.955 29.688 -9.699 340 HD12 ILE 41 HD12 ILE 41 -17.369 29.728 -8.037 341 HD13 ILE 41 HD13 ILE 41 -16.434 28.899 -9.281 342 H ASP 42 H ASP 42 -17.987 24.985 -9.860 343 HA ASP 42 HA ASP 42 -17.046 25.812 -12.372 344 HB2 ASP 42 HB2 ASP 42 -15.711 24.587 -10.643 345 HB3 ASP 42 HB3 ASP 42 -16.589 23.122 -11.069 346 H SER 43 H SER 43 -18.169 25.658 -14.198 347 HA SER 43 HA SER 43 -20.321 24.024 -14.738 348 HB2 SER 43 HB2 SER 43 -20.172 24.735 -16.963 349 HB3 SER 43 HB3 SER 43 -19.346 26.022 -16.085 350 HG SER 43 HG SER 43 -17.996 25.499 -17.724 351 H GLY 44 H GLY 44 -16.889 23.358 -15.157 352 HA2 GLY 44 HA2 GLY 44 -17.463 20.757 -16.351 353 HA3 GLY 44 HA3 GLY 44 -15.874 21.477 -16.141 354 H SER 45 H SER 45 -18.478 20.855 -13.801 355 HA SER 45 HA SER 45 -17.026 18.707 -12.557 356 HB2 SER 45 HB2 SER 45 -17.466 21.110 -10.806 357 HB3 SER 45 HB3 SER 45 -16.405 19.727 -10.542 358 HG SER 45 HG SER 45 -15.180 20.532 -12.382 359 H ALA 46 H ALA 46 -19.615 21.100 -12.282 360 HA ALA 46 HA ALA 46 -21.200 19.711 -10.418 361 HB1 ALA 46 HB1 ALA 46 -22.650 21.309 -12.408 362 HB2 ALA 46 HB2 ALA 46 -22.636 21.423 -10.648 363 HB3 ALA 46 HB3 ALA 46 -21.336 22.153 -11.589 364 H LYS 47 H LYS 47 -20.514 19.052 -13.678 365 HA LYS 47 HA LYS 47 -22.976 17.628 -14.217 366 HB2 LYS 47 HB2 LYS 47 -21.704 18.854 -15.990 367 HB3 LYS 47 HB3 LYS 47 -20.418 17.666 -15.827 368 HG2 LYS 47 HG2 LYS 47 -21.851 15.913 -16.596 369 HG3 LYS 47 HG3 LYS 47 -23.253 16.985 -16.573 370 HD2 LYS 47 HD2 LYS 47 -20.829 17.533 -18.268 371 HD3 LYS 47 HD3 LYS 47 -22.180 16.549 -18.837 372 HE2 LYS 47 HE2 LYS 47 -23.649 18.338 -18.846 373 HE3 LYS 47 HE3 LYS 47 -22.690 19.261 -17.689 374 HZ1 LYS 47 HZ1 LYS 47 -21.527 20.197 -19.321 375 HZ2 LYS 47 HZ2 LYS 47 -22.696 19.601 -20.388 376 HZ3 LYS 47 HZ3 LYS 47 -21.273 18.727 -20.120 377 H LYS 48 H LYS 48 -19.857 16.959 -12.922 378 HA LYS 48 HA LYS 48 -20.418 14.068 -13.038 379 HB2 LYS 48 HB2 LYS 48 -17.876 13.916 -12.562 380 HB3 LYS 48 HB3 LYS 48 -18.409 14.308 -14.191 381 HG2 LYS 48 HG2 LYS 48 -17.868 16.557 -12.334 382 HG3 LYS 48 HG3 LYS 48 -16.492 15.659 -12.980 383 HD2 LYS 48 HD2 LYS 48 -18.607 16.516 -14.882 384 HD3 LYS 48 HD3 LYS 48 -17.524 17.754 -14.241 385 HE2 LYS 48 HE2 LYS 48 -15.599 16.554 -15.049 386 HE3 LYS 48 HE3 LYS 48 -16.607 15.199 -15.554 387 HZ1 LYS 48 HZ1 LYS 48 -16.873 17.939 -16.659 388 HZ2 LYS 48 HZ2 LYS 48 -17.603 16.525 -17.233 389 HZ3 LYS 48 HZ3 LYS 48 -15.930 16.730 -17.376 390 H ASN 49 H ASN 49 -21.380 16.038 -11.070 391 HA ASN 49 HA ASN 49 -21.588 16.317 -8.818 392 HB2 ASN 49 HB2 ASN 49 -20.757 13.414 -8.958 393 HB3 ASN 49 HB3 ASN 49 -21.306 14.191 -7.476 394 HD21 ASN 49 HD21 ASN 49 -23.451 15.295 -7.646 395 HD22 ASN 49 HD22 ASN 49 -24.681 14.490 -8.554 396 H GLY 50 H GLY 50 -19.021 17.022 -9.994 397 HA2 GLY 50 HA2 GLY 50 -16.934 17.701 -9.322 398 HA3 GLY 50 HA3 GLY 50 -17.582 17.654 -7.688 399 H ASN 51 H ASN 51 -17.626 14.728 -9.504 400 HA ASN 51 HA ASN 51 -15.606 13.616 -7.709 401 HB2 ASN 51 HB2 ASN 51 -17.945 12.582 -8.145 402 HB3 ASN 51 HB3 ASN 51 -17.244 12.013 -9.656 403 HD21 ASN 51 HD21 ASN 51 -16.656 12.054 -6.167 404 HD22 ASN 51 HD22 ASN 51 -15.935 10.486 -6.095 405 H LEU 52 H LEU 52 -13.786 14.562 -8.766 406 HA LEU 52 HA LEU 52 -13.197 14.137 -11.503 407 HB2 LEU 52 HB2 LEU 52 -10.888 14.787 -10.858 408 HB3 LEU 52 HB3 LEU 52 -12.132 15.930 -10.356 409 HG LEU 52 HG LEU 52 -11.975 14.629 -8.084 410 HD11 LEU 52 HD11 LEU 52 -9.982 13.326 -9.562 411 HD12 LEU 52 HD12 LEU 52 -10.319 13.176 -7.838 412 HD13 LEU 52 HD13 LEU 52 -9.138 14.356 -8.406 413 HD21 LEU 52 HD21 LEU 52 -10.962 16.480 -7.323 414 HD22 LEU 52 HD22 LEU 52 -11.084 17.031 -8.993 415 HD23 LEU 52 HD23 LEU 52 -9.587 16.299 -8.412 416 H GLY 53 H GLY 53 -13.168 12.048 -8.851 417 HA2 GLY 53 HA2 GLY 53 -12.672 9.789 -8.792 418 HA3 GLY 53 HA3 GLY 53 -12.076 9.915 -10.440 419 H TYR 54 H TYR 54 -10.063 9.175 -10.497 420 HA TYR 54 HA TYR 54 -8.296 9.561 -8.216 421 HB2 TYR 54 HB2 TYR 54 -8.419 7.732 -10.519 422 HB3 TYR 54 HB3 TYR 54 -6.793 8.248 -10.082 423 HD1 TYR 54 HD1 TYR 54 -9.752 7.547 -7.923 424 HD2 TYR 54 HD2 TYR 54 -5.804 6.420 -9.042 425 HE1 TYR 54 HE1 TYR 54 -9.719 5.884 -6.110 426 HE2 TYR 54 HE2 TYR 54 -5.761 4.753 -7.233 427 HH TYR 54 HH TYR 54 -8.386 3.620 -5.715 428 H PHE 55 H PHE 55 -6.544 10.864 -8.178 429 HA PHE 55 HA PHE 55 -5.748 12.230 -10.647 430 HB2 PHE 55 HB2 PHE 55 -6.014 14.365 -9.815 431 HB3 PHE 55 HB3 PHE 55 -7.374 13.555 -9.046 432 HD1 PHE 55 HD2 PHE 55 -6.339 12.202 -6.791 433 HD2 PHE 55 HD1 PHE 55 -5.113 15.939 -8.419 434 HE1 PHE 55 HE2 PHE 55 -5.498 12.885 -4.582 435 HE2 PHE 55 HE1 PHE 55 -4.270 16.628 -6.213 436 HZ PHE 55 HZ PHE 55 -4.461 15.099 -4.291 437 H THR 56 H THR 56 -3.732 13.698 -10.042 438 HA THR 56 HA THR 56 -1.996 12.344 -8.123 439 HB THR 56 HB THR 56 -0.202 11.997 -9.681 440 HG1 THR 56 HG1 THR 56 -0.462 13.697 -11.107 441 HG21 THR 56 HG21 THR 56 -1.265 10.390 -11.289 442 HG22 THR 56 HG22 THR 56 -2.836 10.957 -10.722 443 HG23 THR 56 HG23 THR 56 -1.731 10.157 -9.605 444 H LYS 57 H LYS 57 0.345 13.520 -8.484 445 HA LYS 57 HA LYS 57 -0.193 16.277 -7.794 446 HB2 LYS 57 HB2 LYS 57 2.522 14.988 -7.998 447 HB3 LYS 57 HB3 LYS 57 2.048 16.374 -7.026 448 HG2 LYS 57 HG2 LYS 57 0.404 14.382 -6.093 449 HG3 LYS 57 HG3 LYS 57 1.916 13.533 -6.424 450 HD2 LYS 57 HD2 LYS 57 1.645 16.038 -4.761 451 HD3 LYS 57 HD3 LYS 57 1.812 14.401 -4.121 452 HE2 LYS 57 HE2 LYS 57 3.933 14.496 -5.790 453 HE3 LYS 57 HE3 LYS 57 3.826 16.191 -5.316 454 HZ1 LYS 57 HZ1 LYS 57 3.522 14.668 -3.009 455 HZ2 LYS 57 HZ2 LYS 57 4.826 15.660 -3.430 456 HZ3 LYS 57 HZ3 LYS 57 4.842 14.019 -3.844 457 H GLY 58 H GLY 58 -0.398 17.751 -9.346 458 HA2 GLY 58 HA2 GLY 58 0.938 19.093 -10.932 459 HA3 GLY 58 HA3 GLY 58 1.426 17.573 -11.666 460 H MET 59 H MET 59 -1.832 17.725 -10.643 461 HA MET 59 HA MET 59 -2.694 18.295 -13.402 462 HB2 MET 59 HB2 MET 59 -3.730 16.207 -11.485 463 HB3 MET 59 HB3 MET 59 -4.584 16.682 -12.946 464 HG2 MET 59 HG2 MET 59 -1.757 15.883 -13.255 465 HG3 MET 59 HG3 MET 59 -2.909 14.615 -12.841 466 HE1 MET 59 HE1 MET 59 -5.284 14.330 -15.652 467 HE2 MET 59 HE2 MET 59 -3.989 13.226 -15.191 468 HE3 MET 59 HE3 MET 59 -4.901 14.085 -13.948 469 H MET 60 H MET 60 -2.692 19.474 -10.380 470 HA MET 60 HA MET 60 -5.229 20.888 -10.807 471 HB2 MET 60 HB2 MET 60 -4.288 19.888 -8.115 472 HB3 MET 60 HB3 MET 60 -5.781 20.756 -8.450 473 HG2 MET 60 HG2 MET 60 -5.193 18.125 -9.748 474 HG3 MET 60 HG3 MET 60 -5.880 18.217 -8.129 475 HE1 MET 60 HE1 MET 60 -8.573 16.994 -10.529 476 HE2 MET 60 HE2 MET 60 -7.485 17.625 -11.766 477 HE3 MET 60 HE3 MET 60 -6.836 16.720 -10.397 478 H VAL 61 H VAL 61 -5.192 22.589 -8.686 479 HA VAL 61 HA VAL 61 -2.854 24.243 -9.303 480 HB VAL 61 HB VAL 61 -4.095 26.120 -8.452 481 HG11 VAL 61 HG11 VAL 61 -4.627 24.985 -10.750 482 HG12 VAL 61 HG12 VAL 61 -6.191 24.664 -9.998 483 HG13 VAL 61 HG13 VAL 61 -5.615 26.324 -10.164 484 HG21 VAL 61 HG21 VAL 61 -5.172 24.996 -6.562 485 HG22 VAL 61 HG22 VAL 61 -6.341 25.901 -7.524 486 HG23 VAL 61 HG23 VAL 61 -6.243 24.146 -7.675 487 H LYS 62 H LYS 62 -2.130 25.682 -7.421 488 HA LYS 62 HA LYS 62 -0.991 24.089 -5.431 489 HB2 LYS 62 HB2 LYS 62 0.196 26.026 -5.666 490 HB3 LYS 62 HB3 LYS 62 -1.242 27.002 -5.933 491 HG2 LYS 62 HG2 LYS 62 -1.692 27.152 -3.625 492 HG3 LYS 62 HG3 LYS 62 -0.534 25.875 -3.241 493 HD2 LYS 62 HD2 LYS 62 1.302 27.259 -3.628 494 HD3 LYS 62 HD3 LYS 62 0.355 28.410 -4.574 495 HE2 LYS 62 HE2 LYS 62 -0.726 29.244 -2.630 496 HE3 LYS 62 HE3 LYS 62 -0.095 27.932 -1.636 497 HZ1 LYS 62 HZ1 LYS 62 1.007 30.321 -1.694 498 HZ2 LYS 62 HZ2 LYS 62 1.856 29.631 -2.983 499 HZ3 LYS 62 HZ3 LYS 62 1.918 28.916 -1.452 500 HA PRO 63 HA PRO 63 -4.284 25.832 -2.356 501 HB2 PRO 63 HB2 PRO 63 -6.380 27.195 -3.414 502 HB3 PRO 63 HB3 PRO 63 -4.872 27.978 -2.924 503 HG2 PRO 63 HG2 PRO 63 -5.776 27.148 -5.655 504 HG3 PRO 63 HG3 PRO 63 -4.973 28.646 -5.150 505 HD2 PRO 63 HD2 PRO 63 -3.641 26.605 -6.329 506 HD3 PRO 63 HD3 PRO 63 -2.887 27.666 -5.123 507 H PHE 64 H PHE 64 -4.257 23.415 -3.755 508 HA PHE 64 HA PHE 64 -6.864 22.432 -3.177 509 HB2 PHE 64 HB2 PHE 64 -7.402 23.384 -5.349 510 HB3 PHE 64 HB3 PHE 64 -6.035 22.553 -6.083 511 HD1 PHE 64 HD2 PHE 64 -6.074 20.090 -6.322 512 HD2 PHE 64 HD1 PHE 64 -9.467 22.286 -4.987 513 HE1 PHE 64 HE2 PHE 64 -7.516 18.161 -6.825 514 HE2 PHE 64 HE1 PHE 64 -10.914 20.360 -5.486 515 HZ PHE 64 HZ PHE 64 -9.940 18.295 -6.408 516 H GLU 65 H GLU 65 -4.150 21.636 -5.356 517 HA GLU 65 HA GLU 65 -4.145 18.901 -5.015 518 HB2 GLU 65 HB2 GLU 65 -2.758 20.048 -6.674 519 HB3 GLU 65 HB3 GLU 65 -1.757 20.715 -5.393 520 HG2 GLU 65 HG2 GLU 65 -0.488 18.945 -6.113 521 HG3 GLU 65 HG3 GLU 65 -1.360 18.234 -4.757 522 H ASP 66 H ASP 66 -2.396 21.330 -3.101 523 HA ASP 66 HA ASP 66 -1.015 19.669 -1.385 524 HB2 ASP 66 HB2 ASP 66 -0.949 22.221 -1.543 525 HB3 ASP 66 HB3 ASP 66 -2.339 22.215 -0.460 526 H ALA 67 H ALA 67 -4.312 20.940 -0.981 527 HA ALA 67 HA ALA 67 -4.723 19.120 1.275 528 HB1 ALA 67 HB1 ALA 67 -6.975 20.817 0.554 529 HB2 ALA 67 HB2 ALA 67 -6.140 20.634 2.098 530 HB3 ALA 67 HB3 ALA 67 -5.498 21.728 0.872 531 H ALA 68 H ALA 68 -4.507 18.031 -1.368 532 HA ALA 68 HA ALA 68 -7.268 17.128 -1.856 533 HB1 ALA 68 HB1 ALA 68 -6.485 16.483 -4.106 534 HB2 ALA 68 HB2 ALA 68 -6.309 18.209 -3.790 535 HB3 ALA 68 HB3 ALA 68 -4.899 17.151 -3.719 536 H PHE 69 H PHE 69 -4.108 16.163 -0.896 537 HA PHE 69 HA PHE 69 -5.022 13.369 -0.773 538 HB2 PHE 69 HB2 PHE 69 -2.533 12.787 -1.087 539 HB3 PHE 69 HB3 PHE 69 -3.444 13.283 -2.509 540 HD1 PHE 69 HD2 PHE 69 -1.549 14.975 0.230 541 HD2 PHE 69 HD1 PHE 69 -2.303 14.644 -3.946 542 HE1 PHE 69 HE2 PHE 69 0.103 16.746 -0.205 543 HE2 PHE 69 HE1 PHE 69 -0.652 16.413 -4.388 544 HZ PHE 69 HZ PHE 69 0.554 17.467 -2.516 545 H LYS 70 H LYS 70 -4.333 15.972 0.992 546 HA LYS 70 HA LYS 70 -2.768 14.631 3.061 547 HB2 LYS 70 HB2 LYS 70 -2.304 16.713 3.934 548 HB3 LYS 70 HB3 LYS 70 -2.505 17.109 2.233 549 HG2 LYS 70 HG2 LYS 70 -4.873 17.721 2.736 550 HG3 LYS 70 HG3 LYS 70 -4.502 17.503 4.448 551 HD2 LYS 70 HD2 LYS 70 -3.207 19.464 2.555 552 HD3 LYS 70 HD3 LYS 70 -4.326 19.845 3.867 553 HE2 LYS 70 HE2 LYS 70 -2.299 18.358 5.064 554 HE3 LYS 70 HE3 LYS 70 -1.464 19.426 3.938 555 HZ1 LYS 70 HZ1 LYS 70 -2.173 21.289 5.035 556 HZ2 LYS 70 HZ2 LYS 70 -2.007 20.220 6.335 557 HZ3 LYS 70 HZ3 LYS 70 -3.539 20.538 5.693 558 H LEU 71 H LEU 71 -5.887 14.622 2.206 559 HA LEU 71 HA LEU 71 -7.060 15.010 4.833 560 HB2 LEU 71 HB2 LEU 71 -8.541 13.838 2.524 561 HB3 LEU 71 HB3 LEU 71 -9.124 14.891 3.811 562 HG LEU 71 HG LEU 71 -7.322 15.805 1.573 563 HD11 LEU 71 HD11 LEU 71 -9.230 16.691 0.477 564 HD12 LEU 71 HD12 LEU 71 -10.286 16.258 1.822 565 HD13 LEU 71 HD13 LEU 71 -9.575 14.995 0.817 566 HD21 LEU 71 HD21 LEU 71 -7.384 17.052 3.793 567 HD22 LEU 71 HD22 LEU 71 -9.048 17.470 3.382 568 HD23 LEU 71 HD23 LEU 71 -7.725 17.987 2.337 569 H GLN 72 H GLN 72 -8.938 13.125 5.092 570 HA GLN 72 HA GLN 72 -7.360 10.673 5.436 571 HB2 GLN 72 HB2 GLN 72 -9.411 12.032 7.029 572 HB3 GLN 72 HB3 GLN 72 -9.667 10.299 6.879 573 HG2 GLN 72 HG2 GLN 72 -7.230 11.691 7.961 574 HG3 GLN 72 HG3 GLN 72 -8.402 10.728 8.859 575 HE21 GLN 72 HE21 GLN 72 -5.469 10.462 8.464 576 HE22 GLN 72 HE22 GLN 72 -5.239 8.850 7.890 577 H VAL 73 H VAL 73 -9.037 8.693 5.606 578 HA VAL 73 HA VAL 73 -10.004 8.350 2.931 579 HB VAL 73 HB VAL 73 -9.031 6.439 3.978 580 HG11 VAL 73 HG11 VAL 73 -10.582 7.323 6.265 581 HG12 VAL 73 HG12 VAL 73 -10.739 5.589 5.981 582 HG13 VAL 73 HG13 VAL 73 -9.143 6.307 6.200 583 HG21 VAL 73 HG21 VAL 73 -11.532 6.411 2.799 584 HG22 VAL 73 HG22 VAL 73 -10.481 5.017 3.051 585 HG23 VAL 73 HG23 VAL 73 -11.732 5.403 4.233 586 H GLY 74 H GLY 74 -11.681 9.850 2.671 587 HA2 GLY 74 HA2 GLY 74 -14.049 9.931 2.425 588 HA3 GLY 74 HA3 GLY 74 -14.205 9.002 3.909 589 H GLU 75 H GLU 75 -11.958 11.604 3.924 590 HA GLU 75 HA GLU 75 -13.767 13.110 5.675 591 HB2 GLU 75 HB2 GLU 75 -11.282 12.310 6.225 592 HB3 GLU 75 HB3 GLU 75 -10.891 13.828 5.429 593 HG2 GLU 75 HG2 GLU 75 -12.973 13.862 7.540 594 HG3 GLU 75 HG3 GLU 75 -11.292 13.669 8.032 595 H VAL 76 H VAL 76 -13.830 15.434 5.520 596 HA VAL 76 HA VAL 76 -13.541 16.343 2.742 597 HB VAL 76 HB VAL 76 -15.176 17.558 4.974 598 HG11 VAL 76 HG11 VAL 76 -14.559 18.381 2.203 599 HG12 VAL 76 HG12 VAL 76 -16.236 18.557 2.725 600 HG13 VAL 76 HG13 VAL 76 -14.944 19.358 3.620 601 HG21 VAL 76 HG21 VAL 76 -17.103 16.602 3.958 602 HG22 VAL 76 HG22 VAL 76 -16.171 16.037 2.571 603 HG23 VAL 76 HG23 VAL 76 -15.928 15.301 4.155 604 H SER 77 H SER 77 -12.305 18.066 2.204 605 HA SER 77 HA SER 77 -10.399 18.995 4.162 606 HB2 SER 77 HB2 SER 77 -9.971 18.453 1.655 607 HB3 SER 77 HB3 SER 77 -10.613 20.070 1.362 608 HG SER 77 HG SER 77 -8.624 19.741 3.305 609 H GLU 78 H GLU 78 -9.856 21.391 4.191 610 HA GLU 78 HA GLU 78 -12.208 22.821 4.996 611 HB2 GLU 78 HB2 GLU 78 -10.749 24.471 5.830 612 HB3 GLU 78 HB3 GLU 78 -9.899 22.952 6.074 613 HG2 GLU 78 HG2 GLU 78 -8.553 23.366 4.095 614 HG3 GLU 78 HG3 GLU 78 -9.425 24.870 3.803 615 HA PRO 79 HA PRO 79 -13.126 25.132 1.382 616 HB2 PRO 79 HB2 PRO 79 -13.807 27.550 2.412 617 HB3 PRO 79 HB3 PRO 79 -14.829 26.116 2.570 618 HG2 PRO 79 HG2 PRO 79 -12.932 27.317 4.550 619 HG3 PRO 79 HG3 PRO 79 -14.563 26.673 4.811 620 HD2 PRO 79 HD2 PRO 79 -12.329 25.262 5.401 621 HD3 PRO 79 HD3 PRO 79 -13.830 24.489 4.856 622 H ILE 80 H ILE 80 -10.924 25.116 0.571 623 HA ILE 80 HA ILE 80 -9.108 27.226 1.228 624 HB ILE 80 HB ILE 80 -9.028 25.480 -1.228 625 HG12 ILE 80 HG12 ILE 80 -9.239 24.143 0.869 626 HG13 ILE 80 HG13 ILE 80 -7.711 23.894 0.032 627 HG21 ILE 80 HG21 ILE 80 -7.184 27.382 0.070 628 HG22 ILE 80 HG22 ILE 80 -6.469 25.887 -0.532 629 HG23 ILE 80 HG23 ILE 80 -7.355 26.945 -1.630 630 HD11 ILE 80 HD11 ILE 80 -6.573 25.315 1.605 631 HD12 ILE 80 HD12 ILE 80 -8.098 25.708 2.399 632 HD13 ILE 80 HD13 ILE 80 -7.465 24.064 2.470 633 H LYS 81 H LYS 81 -9.407 29.268 0.655 634 HA LYS 81 HA LYS 81 -11.137 30.013 -1.512 635 HB2 LYS 81 HB2 LYS 81 -10.975 31.345 0.563 636 HB3 LYS 81 HB3 LYS 81 -9.301 31.723 0.177 637 HG2 LYS 81 HG2 LYS 81 -9.996 33.499 -0.939 638 HG3 LYS 81 HG3 LYS 81 -10.815 32.433 -2.082 639 HD2 LYS 81 HD2 LYS 81 -12.791 32.420 -0.585 640 HD3 LYS 81 HD3 LYS 81 -11.968 33.581 0.460 641 HE2 LYS 81 HE2 LYS 81 -12.111 34.301 -2.393 642 HE3 LYS 81 HE3 LYS 81 -13.651 34.266 -1.538 643 HZ1 LYS 81 HZ1 LYS 81 -12.920 36.418 -1.220 644 HZ2 LYS 81 HZ2 LYS 81 -11.300 35.969 -1.038 645 HZ3 LYS 81 HZ3 LYS 81 -12.405 35.663 0.204 646 H SER 82 H SER 82 -10.524 29.923 -3.563 647 HA SER 82 HA SER 82 -7.793 30.783 -4.249 648 HB2 SER 82 HB2 SER 82 -8.158 28.263 -4.382 649 HB3 SER 82 HB3 SER 82 -9.260 28.591 -5.720 650 HG SER 82 HG SER 82 -6.672 29.681 -5.753 651 H GLU 83 H GLU 83 -7.925 30.722 -6.958 652 HA GLU 83 HA GLU 83 -9.360 33.079 -7.559 653 HB2 GLU 83 HB2 GLU 83 -8.711 32.552 -9.935 654 HB3 GLU 83 HB3 GLU 83 -7.375 32.630 -8.795 655 HG2 GLU 83 HG2 GLU 83 -7.195 30.257 -8.727 656 HG3 GLU 83 HG3 GLU 83 -8.684 30.063 -9.650 657 H PHE 84 H PHE 84 -10.180 29.725 -7.717 658 HA PHE 84 HA PHE 84 -12.506 30.228 -9.406 659 HB2 PHE 84 HB2 PHE 84 -11.711 27.600 -8.153 660 HB3 PHE 84 HB3 PHE 84 -12.760 27.862 -9.543 661 HD1 PHE 84 HD1 PHE 84 -11.309 29.619 -11.262 662 HD2 PHE 84 HD2 PHE 84 -9.840 26.456 -8.822 663 HE1 PHE 84 HE1 PHE 84 -9.381 29.358 -12.767 664 HE2 PHE 84 HE2 PHE 84 -7.909 26.190 -10.323 665 HZ PHE 84 HZ PHE 84 -7.677 27.643 -12.299 666 H GLY 85 H GLY 85 -11.667 30.006 -6.102 667 HA2 GLY 85 HA2 GLY 85 -13.493 30.942 -4.652 668 HA3 GLY 85 HA3 GLY 85 -14.516 29.708 -5.374 669 H TYR 86 H TYR 86 -14.950 28.950 -3.231 670 HA TYR 86 HA TYR 86 -12.797 27.893 -1.637 671 HB2 TYR 86 HB2 TYR 86 -15.801 27.770 -1.370 672 HB3 TYR 86 HB3 TYR 86 -14.704 27.001 -0.227 673 HD1 TYR 86 HD2 TYR 86 -12.785 28.660 0.656 674 HD2 TYR 86 HD1 TYR 86 -16.592 29.861 -0.819 675 HE1 TYR 86 HE2 TYR 86 -12.594 30.773 1.901 676 HE2 TYR 86 HE1 TYR 86 -16.410 31.977 0.421 677 HH TYR 86 HH TYR 86 -13.482 32.806 2.226 678 H HIS 87 H HIS 87 -11.843 26.016 -2.010 679 HA HIS 87 HA HIS 87 -13.192 24.002 -3.636 680 HB2 HIS 87 HB2 HIS 87 -10.335 24.344 -2.732 681 HB3 HIS 87 HB3 HIS 87 -10.902 22.883 -3.536 682 HD1 HIS 87 HD1 HIS 87 -11.367 23.022 -6.054 683 HD2 HIS 87 HD2 HIS 87 -10.154 26.624 -4.377 684 HE1 HIS 87 HE1 HIS 87 -10.849 24.527 -8.000 685 H ILE 88 H ILE 88 -14.024 22.181 -2.836 686 HA ILE 88 HA ILE 88 -13.380 21.473 -0.048 687 HB ILE 88 HB ILE 88 -16.005 21.074 -1.487 688 HG12 ILE 88 HG12 ILE 88 -15.571 23.415 -0.827 689 HG13 ILE 88 HG13 ILE 88 -16.895 22.708 0.093 690 HG21 ILE 88 HG21 ILE 88 -16.322 19.423 -0.028 691 HG22 ILE 88 HG22 ILE 88 -14.865 19.841 0.871 692 HG23 ILE 88 HG23 ILE 88 -16.384 20.663 1.224 693 HD11 ILE 88 HD11 ILE 88 -14.076 23.171 1.028 694 HD12 ILE 88 HD12 ILE 88 -15.538 23.998 1.569 695 HD13 ILE 88 HD13 ILE 88 -15.299 22.293 1.947 696 H ILE 89 H ILE 89 -11.684 20.107 -0.845 697 HA ILE 89 HA ILE 89 -12.303 17.908 -2.589 698 HB ILE 89 HB ILE 89 -9.857 18.162 -0.849 699 HG12 ILE 89 HG12 ILE 89 -9.167 19.041 -3.390 700 HG13 ILE 89 HG13 ILE 89 -10.721 19.812 -3.094 701 HG21 ILE 89 HG21 ILE 89 -9.112 16.369 -1.928 702 HG22 ILE 89 HG22 ILE 89 -10.728 16.189 -2.611 703 HG23 ILE 89 HG23 ILE 89 -9.492 17.082 -3.497 704 HD11 ILE 89 HD11 ILE 89 -9.554 20.366 -0.774 705 HD12 ILE 89 HD12 ILE 89 -8.110 20.232 -1.778 706 HD13 ILE 89 HD13 ILE 89 -9.373 21.388 -2.200 707 H LYS 90 H LYS 90 -12.904 15.894 -2.066 708 HA LYS 90 HA LYS 90 -12.723 15.039 0.737 709 HB2 LYS 90 HB2 LYS 90 -15.002 15.857 0.392 710 HB3 LYS 90 HB3 LYS 90 -15.183 14.807 -1.007 711 HG2 LYS 90 HG2 LYS 90 -14.690 12.891 0.641 712 HG3 LYS 90 HG3 LYS 90 -15.064 14.079 1.892 713 HD2 LYS 90 HD2 LYS 90 -17.275 14.315 1.170 714 HD3 LYS 90 HD3 LYS 90 -16.931 13.608 -0.410 715 HE2 LYS 90 HE2 LYS 90 -16.501 11.437 0.722 716 HE3 LYS 90 HE3 LYS 90 -17.006 12.174 2.242 717 HZ1 LYS 90 HZ1 LYS 90 -18.703 11.927 -0.182 718 HZ2 LYS 90 HZ2 LYS 90 -19.182 12.575 1.304 719 HZ3 LYS 90 HZ3 LYS 90 -18.801 10.931 1.182 720 H ARG 91 H ARG 91 -11.676 13.175 0.854 721 HA ARG 91 HA ARG 91 -11.046 11.623 -1.435 722 HB2 ARG 91 HB2 ARG 91 -9.502 11.687 0.407 723 HB3 ARG 91 HB3 ARG 91 -10.723 11.077 1.516 724 HG2 ARG 91 HG2 ARG 91 -10.574 8.921 0.709 725 HG3 ARG 91 HG3 ARG 91 -9.912 9.439 -0.843 726 HD2 ARG 91 HD2 ARG 91 -7.782 9.733 0.017 727 HD3 ARG 91 HD3 ARG 91 -8.366 9.904 1.672 728 HE ARG 91 HE ARG 91 -8.999 7.338 0.965 729 HH11 ARG 91 HH11 ARG 91 -6.080 9.231 1.087 730 HH12 ARG 91 HH12 ARG 91 -5.057 7.871 1.418 731 HH21 ARG 91 HH21 ARG 91 -7.663 5.541 1.401 732 HH22 ARG 91 HH22 ARG 91 -5.958 5.773 1.596 733 H PHE 92 H PHE 92 -11.705 9.531 -1.995 734 HA PHE 92 HA PHE 92 -14.224 8.638 -0.757 735 HB2 PHE 92 HB2 PHE 92 -13.514 9.037 -3.622 736 HB3 PHE 92 HB3 PHE 92 -14.548 7.670 -3.219 737 HD1 PHE 92 HD1 PHE 92 -14.296 11.240 -2.147 738 HD2 PHE 92 HD2 PHE 92 -16.770 8.079 -3.560 739 HE1 PHE 92 HE1 PHE 92 -16.245 12.741 -2.081 740 HE2 PHE 92 HE2 PHE 92 -18.723 9.574 -3.498 741 HZ PHE 92 HZ PHE 92 -18.462 11.908 -2.758 742 H GLY 93 H GLY 93 -11.157 7.781 -2.183 743 HA2 GLY 93 HA2 GLY 93 -11.379 5.046 -2.482 744 HA3 GLY 93 HA3 GLY 93 -9.900 5.865 -2.005 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.691 0.896 0.118 2 HA2 GLY 1 HA2 GLY 1 1.176 0.490 -2.179 3 HA3 GLY 1 HA3 GLY 1 0.011 1.805 -2.197 4 HA PRO 2 HA PRO 2 3.843 3.081 -4.531 5 HB2 PRO 2 HB2 PRO 2 2.534 3.831 -6.787 6 HB3 PRO 2 HB3 PRO 2 3.092 2.178 -6.506 7 HG2 PRO 2 HG2 PRO 2 0.357 3.339 -6.148 8 HG3 PRO 2 HG3 PRO 2 0.828 1.786 -6.861 9 HD2 PRO 2 HD2 PRO 2 -0.106 2.005 -4.328 10 HD3 PRO 2 HD3 PRO 2 1.087 0.779 -4.803 11 H SER 3 H SER 3 0.786 4.484 -3.717 12 HA SER 3 HA SER 3 0.112 6.612 -3.275 13 HB2 SER 3 HB2 SER 3 2.057 6.527 -1.736 14 HB3 SER 3 HB3 SER 3 3.080 7.162 -3.025 15 HG SER 3 HG SER 3 2.220 8.744 -1.494 16 H ASN 4 H ASN 4 0.287 5.946 -5.972 17 HA ASN 4 HA ASN 4 1.547 8.165 -7.356 18 HB2 ASN 4 HB2 ASN 4 1.489 5.777 -8.233 19 HB3 ASN 4 HB3 ASN 4 -0.220 6.039 -8.568 20 HD21 ASN 4 HD21 ASN 4 2.963 7.471 -9.159 21 HD22 ASN 4 HD22 ASN 4 2.611 8.018 -10.760 22 H LYS 5 H LYS 5 -1.749 6.846 -7.045 23 HA LYS 5 HA LYS 5 -2.800 9.569 -7.233 24 HB2 LYS 5 HB2 LYS 5 -4.681 8.321 -8.692 25 HB3 LYS 5 HB3 LYS 5 -3.300 9.145 -9.406 26 HG2 LYS 5 HG2 LYS 5 -2.105 7.036 -9.577 27 HG3 LYS 5 HG3 LYS 5 -3.456 6.195 -8.812 28 HD2 LYS 5 HD2 LYS 5 -3.804 5.813 -11.081 29 HD3 LYS 5 HD3 LYS 5 -4.866 7.181 -10.735 30 HE2 LYS 5 HE2 LYS 5 -3.177 8.716 -11.601 31 HE3 LYS 5 HE3 LYS 5 -2.096 7.360 -11.921 32 HZ1 LYS 5 HZ1 LYS 5 -3.777 6.481 -13.462 33 HZ2 LYS 5 HZ2 LYS 5 -3.207 8.002 -13.934 34 HZ3 LYS 5 HZ3 LYS 5 -4.727 7.857 -13.205 35 H ILE 6 H ILE 6 -5.080 9.709 -6.559 36 HA ILE 6 HA ILE 6 -6.127 7.458 -5.052 37 HB ILE 6 HB ILE 6 -6.409 8.765 -2.982 38 HG12 ILE 6 HG12 ILE 6 -4.354 10.726 -3.890 39 HG13 ILE 6 HG13 ILE 6 -6.015 10.973 -4.414 40 HG21 ILE 6 HG21 ILE 6 -3.513 8.610 -3.795 41 HG22 ILE 6 HG22 ILE 6 -4.176 8.494 -2.165 42 HG23 ILE 6 HG23 ILE 6 -4.490 7.215 -3.337 43 HD11 ILE 6 HD11 ILE 6 -4.845 11.111 -1.685 44 HD12 ILE 6 HD12 ILE 6 -5.963 12.210 -2.494 45 HD13 ILE 6 HD13 ILE 6 -6.541 10.663 -1.874 46 H LYS 7 H LYS 7 -8.332 7.675 -4.493 47 HA LYS 7 HA LYS 7 -9.841 9.263 -6.324 48 HB2 LYS 7 HB2 LYS 7 -10.301 7.001 -4.686 49 HB3 LYS 7 HB3 LYS 7 -11.473 8.221 -4.204 50 HG2 LYS 7 HG2 LYS 7 -11.783 8.421 -6.828 51 HG3 LYS 7 HG3 LYS 7 -11.196 6.758 -6.765 52 HD2 LYS 7 HD2 LYS 7 -13.276 6.134 -6.272 53 HD3 LYS 7 HD3 LYS 7 -13.078 6.940 -4.714 54 HE2 LYS 7 HE2 LYS 7 -14.027 8.959 -5.555 55 HE3 LYS 7 HE3 LYS 7 -13.997 8.353 -7.210 56 HZ1 LYS 7 HZ1 LYS 7 -15.765 6.945 -6.818 57 HZ2 LYS 7 HZ2 LYS 7 -16.195 8.302 -5.903 58 HZ3 LYS 7 HZ3 LYS 7 -15.545 6.938 -5.140 59 H CYS 8 H CYS 8 -11.225 10.984 -5.908 60 HA CYS 8 HA CYS 8 -11.790 12.075 -3.398 61 HB2 CYS 8 HB2 CYS 8 -10.322 14.109 -3.505 62 HB3 CYS 8 HB3 CYS 8 -9.463 12.609 -3.173 63 HG CYS 8 HG CYS 8 -9.354 14.565 -5.938 64 H SER 9 H SER 9 -12.898 14.136 -3.528 65 HA SER 9 HA SER 9 -13.843 14.715 -6.259 66 HB2 SER 9 HB2 SER 9 -15.410 15.087 -3.698 67 HB3 SER 9 HB3 SER 9 -16.012 15.246 -5.348 68 HG SER 9 HG SER 9 -14.870 12.827 -4.476 69 H HIS 10 H HIS 10 -15.276 17.003 -5.759 70 HA HIS 10 HA HIS 10 -13.873 18.943 -4.247 71 HB2 HIS 10 HB2 HIS 10 -12.833 20.224 -6.022 72 HB3 HIS 10 HB3 HIS 10 -12.200 18.580 -6.048 73 HD1 HIS 10 HD1 HIS 10 -13.532 21.101 -8.220 74 HD2 HIS 10 HD2 HIS 10 -13.624 16.949 -8.113 75 HE1 HIS 10 HE1 HIS 10 -14.147 20.382 -10.551 76 H ILE 11 H ILE 11 -14.936 20.921 -4.197 77 HA ILE 11 HA ILE 11 -17.174 21.345 -6.021 78 HB ILE 11 HB ILE 11 -17.499 21.192 -3.024 79 HG12 ILE 11 HG12 ILE 11 -18.901 19.674 -5.233 80 HG13 ILE 11 HG13 ILE 11 -17.559 19.040 -4.289 81 HG21 ILE 11 HG21 ILE 11 -18.715 23.106 -3.816 82 HG22 ILE 11 HG22 ILE 11 -19.411 22.169 -5.137 83 HG23 ILE 11 HG23 ILE 11 -19.863 21.812 -3.472 84 HD11 ILE 11 HD11 ILE 11 -20.251 19.847 -3.220 85 HD12 ILE 11 HD12 ILE 11 -19.670 18.199 -3.462 86 HD13 ILE 11 HD13 ILE 11 -18.905 19.236 -2.259 87 H LEU 12 H LEU 12 -17.243 23.402 -6.635 88 HA LEU 12 HA LEU 12 -15.763 25.383 -5.057 89 HB2 LEU 12 HB2 LEU 12 -16.379 25.036 -7.929 90 HB3 LEU 12 HB3 LEU 12 -16.314 26.691 -7.327 91 HG LEU 12 HG LEU 12 -14.186 26.067 -8.290 92 HD11 LEU 12 HD11 LEU 12 -14.400 27.450 -6.129 93 HD12 LEU 12 HD12 LEU 12 -12.810 26.840 -6.587 94 HD13 LEU 12 HD13 LEU 12 -13.739 26.023 -5.330 95 HD21 LEU 12 HD21 LEU 12 -13.098 24.129 -7.927 96 HD22 LEU 12 HD22 LEU 12 -14.697 23.553 -7.454 97 HD23 LEU 12 HD23 LEU 12 -13.546 24.072 -6.222 98 H VAL 13 H VAL 13 -16.661 27.414 -4.575 99 HA VAL 13 HA VAL 13 -19.476 27.875 -5.133 100 HB VAL 13 HB VAL 13 -20.095 28.206 -2.798 101 HG11 VAL 13 HG11 VAL 13 -20.367 25.983 -3.916 102 HG12 VAL 13 HG12 VAL 13 -18.878 25.469 -3.121 103 HG13 VAL 13 HG13 VAL 13 -20.285 25.916 -2.157 104 HG21 VAL 13 HG21 VAL 13 -18.655 27.640 -0.972 105 HG22 VAL 13 HG22 VAL 13 -17.410 27.045 -2.070 106 HG23 VAL 13 HG23 VAL 13 -17.788 28.767 -2.016 107 H SER 14 H SER 14 -20.071 29.969 -3.637 108 HA SER 14 HA SER 14 -17.902 31.905 -4.125 109 HB2 SER 14 HB2 SER 14 -19.892 32.053 -5.689 110 HB3 SER 14 HB3 SER 14 -20.856 32.521 -4.288 111 HG SER 14 HG SER 14 -20.086 34.355 -5.369 112 H LYS 15 H LYS 15 -19.829 30.456 -1.821 113 HA LYS 15 HA LYS 15 -19.346 32.662 0.071 114 HB2 LYS 15 HB2 LYS 15 -21.683 30.741 0.059 115 HB3 LYS 15 HB3 LYS 15 -21.375 31.963 1.286 116 HG2 LYS 15 HG2 LYS 15 -21.995 32.461 -1.617 117 HG3 LYS 15 HG3 LYS 15 -23.075 32.727 -0.247 118 HD2 LYS 15 HD2 LYS 15 -20.445 34.138 -0.705 119 HD3 LYS 15 HD3 LYS 15 -22.041 34.816 -1.033 120 HE2 LYS 15 HE2 LYS 15 -22.198 35.488 1.077 121 HE3 LYS 15 HE3 LYS 15 -22.030 33.822 1.628 122 HZ1 LYS 15 HZ1 LYS 15 -19.584 35.198 0.843 123 HZ2 LYS 15 HZ2 LYS 15 -19.853 34.102 2.103 124 HZ3 LYS 15 HZ3 LYS 15 -20.317 35.720 2.276 125 H GLN 16 H GLN 16 -18.450 32.147 2.016 126 HA GLN 16 HA GLN 16 -16.971 29.772 2.246 127 HB2 GLN 16 HB2 GLN 16 -16.468 30.519 4.528 128 HB3 GLN 16 HB3 GLN 16 -16.314 31.837 3.373 129 HG2 GLN 16 HG2 GLN 16 -17.505 32.974 4.887 130 HG3 GLN 16 HG3 GLN 16 -18.879 32.160 4.140 131 HE21 GLN 16 HE21 GLN 16 -16.401 31.478 6.592 132 HE22 GLN 16 HE22 GLN 16 -17.485 30.773 7.736 133 H SER 17 H SER 17 -20.157 30.662 3.383 134 HA SER 17 HA SER 17 -20.459 28.452 5.168 135 HB2 SER 17 HB2 SER 17 -22.868 29.728 3.984 136 HB3 SER 17 HB3 SER 17 -22.509 29.340 5.666 137 HG SER 17 HG SER 17 -21.747 31.580 4.149 138 H GLU 18 H GLU 18 -20.851 28.922 1.769 139 HA GLU 18 HA GLU 18 -22.600 26.698 1.325 140 HB2 GLU 18 HB2 GLU 18 -20.934 28.445 -0.467 141 HB3 GLU 18 HB3 GLU 18 -21.757 27.025 -1.096 142 HG2 GLU 18 HG2 GLU 18 -23.215 29.157 0.426 143 HG3 GLU 18 HG3 GLU 18 -22.937 29.267 -1.312 144 H ALA 19 H ALA 19 -19.112 27.245 1.002 145 HA ALA 19 HA ALA 19 -18.537 24.618 0.062 146 HB1 ALA 19 HB1 ALA 19 -16.262 25.771 1.337 147 HB2 ALA 19 HB2 ALA 19 -16.579 25.558 -0.385 148 HB3 ALA 19 HB3 ALA 19 -17.111 27.027 0.435 149 H LEU 20 H LEU 20 -18.392 26.179 3.239 150 HA LEU 20 HA LEU 20 -17.340 23.894 4.581 151 HB2 LEU 20 HB2 LEU 20 -17.391 26.435 5.246 152 HB3 LEU 20 HB3 LEU 20 -18.918 25.986 6.003 153 HG LEU 20 HG LEU 20 -16.462 24.411 6.636 154 HD11 LEU 20 HD11 LEU 20 -16.094 26.010 8.547 155 HD12 LEU 20 HD12 LEU 20 -17.126 27.150 7.684 156 HD13 LEU 20 HD13 LEU 20 -15.619 26.598 6.953 157 HD21 LEU 20 HD21 LEU 20 -17.823 23.496 8.128 158 HD22 LEU 20 HD22 LEU 20 -19.144 24.481 7.498 159 HD23 LEU 20 HD23 LEU 20 -18.158 25.077 8.836 160 H ALA 21 H ALA 21 -20.421 24.703 3.426 161 HA ALA 21 HA ALA 21 -22.015 23.371 5.372 162 HB1 ALA 21 HB1 ALA 21 -22.504 24.339 2.580 163 HB2 ALA 21 HB2 ALA 21 -23.711 23.374 3.430 164 HB3 ALA 21 HB3 ALA 21 -23.188 24.920 4.098 165 H ILE 22 H ILE 22 -19.917 22.242 2.982 166 HA ILE 22 HA ILE 22 -21.276 19.856 2.232 167 HB ILE 22 HB ILE 22 -18.313 20.439 2.153 168 HG12 ILE 22 HG12 ILE 22 -19.554 22.098 0.878 169 HG13 ILE 22 HG13 ILE 22 -18.730 21.001 -0.225 170 HG21 ILE 22 HG21 ILE 22 -19.922 18.128 1.406 171 HG22 ILE 22 HG22 ILE 22 -18.912 18.726 0.091 172 HG23 ILE 22 HG23 ILE 22 -18.178 18.271 1.629 173 HD11 ILE 22 HD11 ILE 22 -21.014 19.740 -0.200 174 HD12 ILE 22 HD12 ILE 22 -21.634 21.303 0.333 175 HD13 ILE 22 HD13 ILE 22 -20.786 21.169 -1.207 176 H MET 23 H MET 23 -19.491 20.800 5.005 177 HA MET 23 HA MET 23 -19.021 18.032 5.823 178 HB2 MET 23 HB2 MET 23 -18.289 20.471 7.422 179 HB3 MET 23 HB3 MET 23 -17.569 18.868 7.477 180 HG2 MET 23 HG2 MET 23 -16.582 19.207 5.290 181 HG3 MET 23 HG3 MET 23 -17.352 20.788 5.170 182 HE1 MET 23 HE1 MET 23 -14.201 19.837 8.404 183 HE2 MET 23 HE2 MET 23 -15.911 19.429 8.558 184 HE3 MET 23 HE3 MET 23 -14.914 18.615 7.350 185 H GLU 24 H GLU 24 -21.135 20.699 6.398 186 HA GLU 24 HA GLU 24 -22.162 19.573 8.879 187 HB2 GLU 24 HB2 GLU 24 -23.341 21.570 9.173 188 HB3 GLU 24 HB3 GLU 24 -21.848 22.082 8.400 189 HG2 GLU 24 HG2 GLU 24 -23.135 21.948 6.206 190 HG3 GLU 24 HG3 GLU 24 -24.585 21.853 7.203 191 H LYS 25 H LYS 25 -23.009 19.844 5.505 192 HA LYS 25 HA LYS 25 -25.734 19.057 5.787 193 HB2 LYS 25 HB2 LYS 25 -23.825 19.295 3.489 194 HB3 LYS 25 HB3 LYS 25 -25.368 18.482 3.260 195 HG2 LYS 25 HG2 LYS 25 -26.337 20.651 4.348 196 HG3 LYS 25 HG3 LYS 25 -24.800 21.350 3.830 197 HD2 LYS 25 HD2 LYS 25 -25.250 20.953 1.569 198 HD3 LYS 25 HD3 LYS 25 -26.509 19.771 1.933 199 HE2 LYS 25 HE2 LYS 25 -28.076 21.384 2.396 200 HE3 LYS 25 HE3 LYS 25 -26.867 22.575 2.869 201 HZ1 LYS 25 HZ1 LYS 25 -28.122 22.813 0.626 202 HZ2 LYS 25 HZ2 LYS 25 -26.991 21.685 0.071 203 HZ3 LYS 25 HZ3 LYS 25 -26.469 23.165 0.704 204 H LEU 26 H LEU 26 -22.915 17.304 4.471 205 HA LEU 26 HA LEU 26 -24.139 14.810 4.265 206 HB2 LEU 26 HB2 LEU 26 -21.238 15.355 4.869 207 HB3 LEU 26 HB3 LEU 26 -21.906 13.879 4.176 208 HG LEU 26 HG LEU 26 -21.993 16.569 2.816 209 HD11 LEU 26 HD11 LEU 26 -20.163 15.765 1.431 210 HD12 LEU 26 HD12 LEU 26 -20.074 14.284 2.383 211 HD13 LEU 26 HD13 LEU 26 -19.679 15.833 3.126 212 HD21 LEU 26 HD21 LEU 26 -23.672 14.708 2.256 213 HD22 LEU 26 HD22 LEU 26 -22.292 13.865 1.554 214 HD23 LEU 26 HD23 LEU 26 -22.773 15.443 0.930 215 H LYS 27 H LYS 27 -22.950 16.496 7.032 216 HA LYS 27 HA LYS 27 -22.405 14.429 8.801 217 HB2 LYS 27 HB2 LYS 27 -22.198 16.998 9.094 218 HB3 LYS 27 HB3 LYS 27 -23.853 16.909 9.682 219 HG2 LYS 27 HG2 LYS 27 -23.198 15.445 11.470 220 HG3 LYS 27 HG3 LYS 27 -21.554 15.344 10.834 221 HD2 LYS 27 HD2 LYS 27 -21.351 16.913 12.532 222 HD3 LYS 27 HD3 LYS 27 -21.553 17.921 11.097 223 HE2 LYS 27 HE2 LYS 27 -23.922 17.089 12.730 224 HE3 LYS 27 HE3 LYS 27 -22.926 18.457 13.226 225 HZ1 LYS 27 HZ1 LYS 27 -24.823 18.250 11.064 226 HZ2 LYS 27 HZ2 LYS 27 -23.360 18.972 10.620 227 HZ3 LYS 27 HZ3 LYS 27 -24.269 19.619 11.891 228 H SER 28 H SER 28 -25.450 15.590 7.597 229 HA SER 28 HA SER 28 -27.031 14.255 9.604 230 HB2 SER 28 HB2 SER 28 -28.105 16.151 8.755 231 HB3 SER 28 HB3 SER 28 -27.652 15.782 7.091 232 HG SER 28 HG SER 28 -29.554 14.913 6.965 233 H GLY 29 H GLY 29 -25.703 13.501 6.491 234 HA2 GLY 29 HA2 GLY 29 -25.464 11.038 6.145 235 HA3 GLY 29 HA3 GLY 29 -27.179 10.939 6.519 236 H GLU 30 H GLU 30 -25.872 13.548 4.608 237 HA GLU 30 HA GLU 30 -27.546 12.736 2.382 238 HB2 GLU 30 HB2 GLU 30 -25.746 15.141 2.404 239 HB3 GLU 30 HB3 GLU 30 -27.249 14.903 1.525 240 HG2 GLU 30 HG2 GLU 30 -26.945 15.307 4.491 241 HG3 GLU 30 HG3 GLU 30 -27.590 16.461 3.324 242 H LYS 31 H LYS 31 -26.196 13.707 0.209 243 HA LYS 31 HA LYS 31 -23.860 11.919 0.042 244 HB2 LYS 31 HB2 LYS 31 -26.055 11.413 -1.291 245 HB3 LYS 31 HB3 LYS 31 -25.478 12.684 -2.361 246 HG2 LYS 31 HG2 LYS 31 -23.971 11.345 -3.301 247 HG3 LYS 31 HG3 LYS 31 -23.413 10.741 -1.739 248 HD2 LYS 31 HD2 LYS 31 -26.064 9.809 -2.682 249 HD3 LYS 31 HD3 LYS 31 -24.646 9.191 -3.531 250 HE2 LYS 31 HE2 LYS 31 -25.003 9.103 -0.539 251 HE3 LYS 31 HE3 LYS 31 -25.414 7.773 -1.622 252 HZ1 LYS 31 HZ1 LYS 31 -22.767 8.738 -2.076 253 HZ2 LYS 31 HZ2 LYS 31 -23.296 7.166 -1.744 254 HZ3 LYS 31 HZ3 LYS 31 -22.976 8.236 -0.474 255 H PHE 32 H PHE 32 -21.984 12.736 -0.696 256 HA PHE 32 HA PHE 32 -21.465 15.447 -0.722 257 HB2 PHE 32 HB2 PHE 32 -19.712 13.743 -0.521 258 HB3 PHE 32 HB3 PHE 32 -19.965 13.276 -2.200 259 HD1 PHE 32 HD1 PHE 32 -19.390 14.874 -4.017 260 HD2 PHE 32 HD2 PHE 32 -18.363 15.589 0.051 261 HE1 PHE 32 HE1 PHE 32 -17.734 16.547 -4.733 262 HE2 PHE 32 HE2 PHE 32 -16.707 17.265 -0.658 263 HZ PHE 32 HZ PHE 32 -16.390 17.745 -3.052 264 H GLY 33 H GLY 33 -22.231 13.318 -3.446 265 HA2 GLY 33 HA2 GLY 33 -21.853 15.243 -5.481 266 HA3 GLY 33 HA3 GLY 33 -22.809 13.775 -5.620 267 H LYS 34 H LYS 34 -24.522 14.596 -3.335 268 HA LYS 34 HA LYS 34 -26.611 15.772 -4.757 269 HB2 LYS 34 HB2 LYS 34 -26.499 14.523 -2.416 270 HB3 LYS 34 HB3 LYS 34 -26.459 16.172 -1.805 271 HG2 LYS 34 HG2 LYS 34 -28.551 16.659 -2.965 272 HG3 LYS 34 HG3 LYS 34 -28.589 15.008 -3.589 273 HD2 LYS 34 HD2 LYS 34 -29.961 14.822 -1.750 274 HD3 LYS 34 HD3 LYS 34 -28.402 14.367 -1.057 275 HE2 LYS 34 HE2 LYS 34 -28.154 16.410 0.030 276 HE3 LYS 34 HE3 LYS 34 -29.321 17.218 -1.016 277 HZ1 LYS 34 HZ1 LYS 34 -30.065 15.084 0.903 278 HZ2 LYS 34 HZ2 LYS 34 -31.103 16.119 0.057 279 HZ3 LYS 34 HZ3 LYS 34 -30.113 16.731 1.285 280 H LEU 35 H LEU 35 -23.895 17.204 -3.192 281 HA LEU 35 HA LEU 35 -25.094 19.876 -3.467 282 HB2 LEU 35 HB2 LEU 35 -22.543 19.344 -2.005 283 HB3 LEU 35 HB3 LEU 35 -23.698 20.657 -1.788 284 HG LEU 35 HG LEU 35 -24.052 17.792 -0.911 285 HD11 LEU 35 HD11 LEU 35 -24.174 18.992 1.349 286 HD12 LEU 35 HD12 LEU 35 -23.408 20.346 0.519 287 HD13 LEU 35 HD13 LEU 35 -22.587 18.787 0.605 288 HD21 LEU 35 HD21 LEU 35 -26.201 18.531 -1.501 289 HD22 LEU 35 HD22 LEU 35 -25.908 20.154 -0.874 290 HD23 LEU 35 HD23 LEU 35 -26.089 18.798 0.240 291 H ALA 36 H ALA 36 -22.623 17.770 -4.616 292 HA ALA 36 HA ALA 36 -20.918 19.767 -5.736 293 HB1 ALA 36 HB1 ALA 36 -21.090 16.919 -6.676 294 HB2 ALA 36 HB2 ALA 36 -19.696 18.000 -6.682 295 HB3 ALA 36 HB3 ALA 36 -20.309 17.360 -5.158 296 H LYS 37 H LYS 37 -23.861 18.270 -6.716 297 HA LYS 37 HA LYS 37 -23.521 19.066 -9.503 298 HB2 LYS 37 HB2 LYS 37 -24.539 16.844 -8.805 299 HB3 LYS 37 HB3 LYS 37 -25.939 17.760 -8.260 300 HG2 LYS 37 HG2 LYS 37 -26.645 18.206 -10.368 301 HG3 LYS 37 HG3 LYS 37 -25.009 18.239 -11.029 302 HD2 LYS 37 HD2 LYS 37 -24.884 15.869 -11.074 303 HD3 LYS 37 HD3 LYS 37 -26.349 15.706 -10.101 304 HE2 LYS 37 HE2 LYS 37 -27.524 16.924 -12.031 305 HE3 LYS 37 HE3 LYS 37 -26.077 16.556 -12.969 306 HZ1 LYS 37 HZ1 LYS 37 -26.428 14.223 -12.595 307 HZ2 LYS 37 HZ2 LYS 37 -27.844 14.891 -13.236 308 HZ3 LYS 37 HZ3 LYS 37 -27.751 14.530 -11.586 309 H GLU 38 H GLU 38 -23.963 20.878 -7.055 310 HA GLU 38 HA GLU 38 -25.892 22.610 -8.385 311 HB2 GLU 38 HB2 GLU 38 -26.137 21.793 -5.486 312 HB3 GLU 38 HB3 GLU 38 -27.059 23.083 -6.245 313 HG2 GLU 38 HG2 GLU 38 -27.131 20.227 -7.178 314 HG3 GLU 38 HG3 GLU 38 -28.254 20.897 -5.997 315 H LEU 39 H LEU 39 -24.088 22.434 -5.311 316 HA LEU 39 HA LEU 39 -23.535 25.170 -5.141 317 HB2 LEU 39 HB2 LEU 39 -22.049 22.803 -4.018 318 HB3 LEU 39 HB3 LEU 39 -21.710 24.476 -3.584 319 HG LEU 39 HG LEU 39 -24.325 23.053 -3.092 320 HD11 LEU 39 HD11 LEU 39 -22.415 22.188 -1.755 321 HD12 LEU 39 HD12 LEU 39 -23.683 22.942 -0.788 322 HD13 LEU 39 HD13 LEU 39 -22.186 23.815 -1.113 323 HD21 LEU 39 HD21 LEU 39 -24.736 25.377 -3.328 324 HD22 LEU 39 HD22 LEU 39 -23.310 25.796 -2.379 325 HD23 LEU 39 HD23 LEU 39 -24.700 25.042 -1.597 326 H SER 40 H SER 40 -21.676 22.520 -6.570 327 HA SER 40 HA SER 40 -19.306 23.819 -7.135 328 HB2 SER 40 HB2 SER 40 -20.060 21.353 -7.574 329 HB3 SER 40 HB3 SER 40 -20.512 21.966 -9.165 330 HG SER 40 HG SER 40 -18.482 21.657 -9.610 331 H ILE 41 H ILE 41 -19.289 25.856 -7.898 332 HA ILE 41 HA ILE 41 -21.100 26.792 -9.904 333 HB ILE 41 HB ILE 41 -19.666 28.834 -9.913 334 HG12 ILE 41 HG12 ILE 41 -18.191 28.047 -7.511 335 HG13 ILE 41 HG13 ILE 41 -17.718 27.135 -8.939 336 HG21 ILE 41 HG21 ILE 41 -21.166 29.387 -8.368 337 HG22 ILE 41 HG22 ILE 41 -21.204 27.745 -7.728 338 HG23 ILE 41 HG23 ILE 41 -19.991 28.888 -7.152 339 HD11 ILE 41 HD11 ILE 41 -17.135 29.867 -8.209 340 HD12 ILE 41 HD12 ILE 41 -16.375 28.830 -9.417 341 HD13 ILE 41 HD13 ILE 41 -17.825 29.747 -9.827 342 H ASP 42 H ASP 42 -18.010 25.266 -9.925 343 HA ASP 42 HA ASP 42 -16.997 26.178 -12.376 344 HB2 ASP 42 HB2 ASP 42 -15.569 24.965 -10.864 345 HB3 ASP 42 HB3 ASP 42 -16.614 23.549 -10.937 346 H SER 43 H SER 43 -17.599 25.835 -14.409 347 HA SER 43 HA SER 43 -19.788 23.994 -14.938 348 HB2 SER 43 HB2 SER 43 -19.563 26.427 -15.829 349 HB3 SER 43 HB3 SER 43 -18.470 25.718 -17.019 350 HG SER 43 HG SER 43 -20.109 24.788 -17.982 351 H GLY 44 H GLY 44 -18.373 22.110 -14.509 352 HA2 GLY 44 HA2 GLY 44 -17.585 20.873 -16.916 353 HA3 GLY 44 HA3 GLY 44 -16.151 21.443 -16.073 354 H SER 45 H SER 45 -17.456 21.006 -13.435 355 HA SER 45 HA SER 45 -17.253 18.066 -13.375 356 HB2 SER 45 HB2 SER 45 -16.485 19.932 -11.125 357 HB3 SER 45 HB3 SER 45 -16.167 18.202 -11.241 358 HG SER 45 HG SER 45 -15.123 20.156 -13.016 359 H ALA 46 H ALA 46 -19.225 20.727 -12.805 360 HA ALA 46 HA ALA 46 -20.715 19.823 -10.569 361 HB1 ALA 46 HB1 ALA 46 -22.032 21.660 -10.882 362 HB2 ALA 46 HB2 ALA 46 -20.604 22.165 -11.786 363 HB3 ALA 46 HB3 ALA 46 -22.005 21.520 -12.640 364 H LYS 47 H LYS 47 -20.510 18.662 -13.714 365 HA LYS 47 HA LYS 47 -23.238 17.614 -13.753 366 HB2 LYS 47 HB2 LYS 47 -21.946 18.623 -15.784 367 HB3 LYS 47 HB3 LYS 47 -21.174 17.044 -15.856 368 HG2 LYS 47 HG2 LYS 47 -23.492 16.052 -15.944 369 HG3 LYS 47 HG3 LYS 47 -24.089 17.696 -16.184 370 HD2 LYS 47 HD2 LYS 47 -22.367 17.794 -18.108 371 HD3 LYS 47 HD3 LYS 47 -22.355 16.034 -17.979 372 HE2 LYS 47 HE2 LYS 47 -23.940 16.671 -19.663 373 HE3 LYS 47 HE3 LYS 47 -24.820 16.051 -18.268 374 HZ1 LYS 47 HZ1 LYS 47 -25.702 18.152 -19.317 375 HZ2 LYS 47 HZ2 LYS 47 -24.351 18.944 -18.679 376 HZ3 LYS 47 HZ3 LYS 47 -25.463 18.203 -17.642 377 H LYS 48 H LYS 48 -20.126 16.702 -12.782 378 HA LYS 48 HA LYS 48 -20.896 13.856 -12.793 379 HB2 LYS 48 HB2 LYS 48 -18.259 13.680 -12.416 380 HB3 LYS 48 HB3 LYS 48 -18.977 13.741 -14.020 381 HG2 LYS 48 HG2 LYS 48 -18.238 16.304 -12.711 382 HG3 LYS 48 HG3 LYS 48 -16.952 15.281 -13.354 383 HD2 LYS 48 HD2 LYS 48 -19.214 15.605 -15.175 384 HD3 LYS 48 HD3 LYS 48 -18.395 17.120 -14.789 385 HE2 LYS 48 HE2 LYS 48 -17.094 14.611 -15.845 386 HE3 LYS 48 HE3 LYS 48 -17.428 16.073 -16.770 387 HZ1 LYS 48 HZ1 LYS 48 -15.242 16.363 -16.192 388 HZ2 LYS 48 HZ2 LYS 48 -15.410 15.622 -14.681 389 HZ3 LYS 48 HZ3 LYS 48 -16.008 17.185 -14.927 390 H ASN 49 H ASN 49 -21.450 16.031 -10.810 391 HA ASN 49 HA ASN 49 -21.529 16.299 -8.554 392 HB2 ASN 49 HB2 ASN 49 -20.712 13.387 -8.616 393 HB3 ASN 49 HB3 ASN 49 -21.247 14.239 -7.170 394 HD21 ASN 49 HD21 ASN 49 -23.399 15.406 -7.482 395 HD22 ASN 49 HD22 ASN 49 -24.636 14.501 -8.279 396 H GLY 50 H GLY 50 -19.089 16.978 -9.934 397 HA2 GLY 50 HA2 GLY 50 -16.909 17.561 -9.501 398 HA3 GLY 50 HA3 GLY 50 -17.441 17.674 -7.830 399 H ASN 51 H ASN 51 -17.572 14.657 -9.565 400 HA ASN 51 HA ASN 51 -15.606 13.556 -7.703 401 HB2 ASN 51 HB2 ASN 51 -17.929 12.526 -8.139 402 HB3 ASN 51 HB3 ASN 51 -17.246 11.963 -9.662 403 HD21 ASN 51 HD21 ASN 51 -15.465 10.512 -9.594 404 HD22 ASN 51 HD22 ASN 51 -15.211 9.499 -8.218 405 H LEU 52 H LEU 52 -13.800 14.565 -8.802 406 HA LEU 52 HA LEU 52 -13.143 14.037 -11.494 407 HB2 LEU 52 HB2 LEU 52 -10.844 14.709 -10.814 408 HB3 LEU 52 HB3 LEU 52 -12.103 15.867 -10.391 409 HG LEU 52 HG LEU 52 -12.000 14.623 -8.069 410 HD11 LEU 52 HD11 LEU 52 -10.302 13.240 -7.724 411 HD12 LEU 52 HD12 LEU 52 -9.145 14.426 -8.327 412 HD13 LEU 52 HD13 LEU 52 -9.944 13.325 -9.450 413 HD21 LEU 52 HD21 LEU 52 -9.659 16.375 -8.454 414 HD22 LEU 52 HD22 LEU 52 -10.993 16.493 -7.306 415 HD23 LEU 52 HD23 LEU 52 -11.212 17.031 -8.973 416 H GLY 53 H GLY 53 -13.098 12.047 -8.747 417 HA2 GLY 53 HA2 GLY 53 -12.576 9.802 -8.583 418 HA3 GLY 53 HA3 GLY 53 -12.038 9.847 -10.256 419 H TYR 54 H TYR 54 -10.024 9.116 -10.350 420 HA TYR 54 HA TYR 54 -8.187 9.560 -8.144 421 HB2 TYR 54 HB2 TYR 54 -8.335 7.748 -10.465 422 HB3 TYR 54 HB3 TYR 54 -6.711 8.277 -10.042 423 HD1 TYR 54 HD1 TYR 54 -9.652 7.484 -7.885 424 HD2 TYR 54 HD2 TYR 54 -5.670 6.484 -9.003 425 HE1 TYR 54 HE1 TYR 54 -9.576 5.803 -6.091 426 HE2 TYR 54 HE2 TYR 54 -5.585 4.799 -7.213 427 HH TYR 54 HH TYR 54 -8.174 4.480 -4.865 428 H PHE 55 H PHE 55 -6.450 10.886 -8.156 429 HA PHE 55 HA PHE 55 -5.746 12.271 -10.642 430 HB2 PHE 55 HB2 PHE 55 -6.034 14.402 -9.808 431 HB3 PHE 55 HB3 PHE 55 -7.365 13.566 -9.014 432 HD1 PHE 55 HD2 PHE 55 -6.259 12.237 -6.776 433 HD2 PHE 55 HD1 PHE 55 -5.145 15.997 -8.430 434 HE1 PHE 55 HE2 PHE 55 -5.392 12.940 -4.583 435 HE2 PHE 55 HE1 PHE 55 -4.274 16.706 -6.240 436 HZ PHE 55 HZ PHE 55 -4.399 15.177 -4.313 437 H THR 56 H THR 56 -3.769 13.833 -10.005 438 HA THR 56 HA THR 56 -1.959 12.508 -8.142 439 HB THR 56 HB THR 56 -0.183 12.199 -9.734 440 HG1 THR 56 HG1 THR 56 -0.493 13.843 -11.194 441 HG21 THR 56 HG21 THR 56 -1.722 10.338 -9.571 442 HG22 THR 56 HG22 THR 56 -1.187 10.505 -11.244 443 HG23 THR 56 HG23 THR 56 -2.787 11.073 -10.767 444 H LYS 57 H LYS 57 0.250 13.720 -8.210 445 HA LYS 57 HA LYS 57 -0.329 16.484 -7.696 446 HB2 LYS 57 HB2 LYS 57 2.373 15.133 -7.735 447 HB3 LYS 57 HB3 LYS 57 1.951 16.639 -6.931 448 HG2 LYS 57 HG2 LYS 57 0.195 14.967 -5.759 449 HG3 LYS 57 HG3 LYS 57 1.525 13.854 -6.086 450 HD2 LYS 57 HD2 LYS 57 2.058 16.516 -4.825 451 HD3 LYS 57 HD3 LYS 57 1.478 15.167 -3.845 452 HE2 LYS 57 HE2 LYS 57 3.371 13.829 -4.469 453 HE3 LYS 57 HE3 LYS 57 3.906 15.045 -5.628 454 HZ1 LYS 57 HZ1 LYS 57 3.632 16.227 -3.086 455 HZ2 LYS 57 HZ2 LYS 57 5.025 16.062 -4.031 456 HZ3 LYS 57 HZ3 LYS 57 4.591 14.840 -2.944 457 H GLY 58 H GLY 58 -0.492 17.926 -9.282 458 HA2 GLY 58 HA2 GLY 58 0.955 19.235 -10.833 459 HA3 GLY 58 HA3 GLY 58 1.377 17.692 -11.561 460 H MET 59 H MET 59 -1.810 17.530 -10.701 461 HA MET 59 HA MET 59 -2.654 18.314 -13.411 462 HB2 MET 59 HB2 MET 59 -4.036 16.357 -11.572 463 HB3 MET 59 HB3 MET 59 -4.386 16.650 -13.270 464 HG2 MET 59 HG2 MET 59 -1.825 15.942 -13.489 465 HG3 MET 59 HG3 MET 59 -2.237 15.060 -12.020 466 HE1 MET 59 HE1 MET 59 -2.072 15.390 -15.494 467 HE2 MET 59 HE2 MET 59 -2.626 13.840 -16.127 468 HE3 MET 59 HE3 MET 59 -3.736 15.210 -16.052 469 H MET 60 H MET 60 -2.680 19.462 -10.379 470 HA MET 60 HA MET 60 -5.207 20.892 -10.816 471 HB2 MET 60 HB2 MET 60 -4.275 19.896 -8.120 472 HB3 MET 60 HB3 MET 60 -5.771 20.755 -8.465 473 HG2 MET 60 HG2 MET 60 -5.132 18.099 -9.700 474 HG3 MET 60 HG3 MET 60 -5.916 18.246 -8.129 475 HE1 MET 60 HE1 MET 60 -7.725 17.687 -11.901 476 HE2 MET 60 HE2 MET 60 -6.428 16.988 -10.933 477 HE3 MET 60 HE3 MET 60 -8.110 16.737 -10.466 478 H VAL 61 H VAL 61 -5.168 22.590 -8.690 479 HA VAL 61 HA VAL 61 -2.821 24.235 -9.299 480 HB VAL 61 HB VAL 61 -4.062 26.117 -8.446 481 HG11 VAL 61 HG11 VAL 61 -6.171 24.724 -10.012 482 HG12 VAL 61 HG12 VAL 61 -5.503 26.346 -10.204 483 HG13 VAL 61 HG13 VAL 61 -4.586 24.943 -10.753 484 HG21 VAL 61 HG21 VAL 61 -6.237 24.155 -7.723 485 HG22 VAL 61 HG22 VAL 61 -5.170 24.968 -6.580 486 HG23 VAL 61 HG23 VAL 61 -6.311 25.908 -7.541 487 H LYS 62 H LYS 62 -2.077 25.658 -7.427 488 HA LYS 62 HA LYS 62 -0.966 24.066 -5.425 489 HB2 LYS 62 HB2 LYS 62 0.234 25.995 -5.659 490 HB3 LYS 62 HB3 LYS 62 -1.198 26.980 -5.932 491 HG2 LYS 62 HG2 LYS 62 -1.655 27.129 -3.622 492 HG3 LYS 62 HG3 LYS 62 -0.500 25.851 -3.237 493 HD2 LYS 62 HD2 LYS 62 0.434 28.346 -4.595 494 HD3 LYS 62 HD3 LYS 62 0.143 28.351 -2.855 495 HE2 LYS 62 HE2 LYS 62 1.836 26.234 -4.136 496 HE3 LYS 62 HE3 LYS 62 2.514 27.807 -3.717 497 HZ1 LYS 62 HZ1 LYS 62 1.409 25.740 -1.919 498 HZ2 LYS 62 HZ2 LYS 62 1.536 27.351 -1.420 499 HZ3 LYS 62 HZ3 LYS 62 2.923 26.492 -1.863 500 HA PRO 63 HA PRO 63 -4.261 25.835 -2.368 501 HB2 PRO 63 HB2 PRO 63 -6.342 27.212 -3.435 502 HB3 PRO 63 HB3 PRO 63 -4.831 27.985 -2.940 503 HG2 PRO 63 HG2 PRO 63 -5.729 27.158 -5.674 504 HG3 PRO 63 HG3 PRO 63 -4.917 28.651 -5.167 505 HD2 PRO 63 HD2 PRO 63 -3.594 26.600 -6.339 506 HD3 PRO 63 HD3 PRO 63 -2.838 27.657 -5.129 507 H PHE 64 H PHE 64 -4.246 23.420 -3.778 508 HA PHE 64 HA PHE 64 -6.848 22.441 -3.192 509 HB2 PHE 64 HB2 PHE 64 -7.412 23.425 -5.342 510 HB3 PHE 64 HB3 PHE 64 -6.057 22.599 -6.108 511 HD1 PHE 64 HD2 PHE 64 -6.117 20.156 -6.419 512 HD2 PHE 64 HD1 PHE 64 -9.469 22.315 -4.930 513 HE1 PHE 64 HE2 PHE 64 -7.573 18.239 -6.930 514 HE2 PHE 64 HE1 PHE 64 -10.930 20.401 -5.437 515 HZ PHE 64 HZ PHE 64 -9.983 18.360 -6.438 516 H GLU 65 H GLU 65 -4.121 21.695 -5.371 517 HA GLU 65 HA GLU 65 -4.127 18.950 -5.117 518 HB2 GLU 65 HB2 GLU 65 -2.709 20.069 -6.728 519 HB3 GLU 65 HB3 GLU 65 -1.774 20.816 -5.440 520 HG2 GLU 65 HG2 GLU 65 -0.979 18.617 -4.737 521 HG3 GLU 65 HG3 GLU 65 -1.914 17.868 -6.030 522 H ASP 66 H ASP 66 -2.427 21.317 -3.088 523 HA ASP 66 HA ASP 66 -1.083 19.583 -1.401 524 HB2 ASP 66 HB2 ASP 66 -0.813 22.055 -1.423 525 HB3 ASP 66 HB3 ASP 66 -2.368 22.204 -0.607 526 H ALA 67 H ALA 67 -4.348 20.938 -0.978 527 HA ALA 67 HA ALA 67 -4.833 19.074 1.219 528 HB1 ALA 67 HB1 ALA 67 -5.570 21.695 0.833 529 HB2 ALA 67 HB2 ALA 67 -7.052 20.805 0.480 530 HB3 ALA 67 HB3 ALA 67 -6.245 20.596 2.035 531 H ALA 68 H ALA 68 -4.585 18.049 -1.465 532 HA ALA 68 HA ALA 68 -7.343 17.154 -1.985 533 HB1 ALA 68 HB1 ALA 68 -4.968 17.320 -3.830 534 HB2 ALA 68 HB2 ALA 68 -6.491 16.537 -4.251 535 HB3 ALA 68 HB3 ALA 68 -6.455 18.266 -3.903 536 H PHE 69 H PHE 69 -4.233 16.184 -0.953 537 HA PHE 69 HA PHE 69 -5.120 13.383 -0.937 538 HB2 PHE 69 HB2 PHE 69 -2.618 12.824 -1.269 539 HB3 PHE 69 HB3 PHE 69 -3.556 13.311 -2.676 540 HD1 PHE 69 HD2 PHE 69 -1.645 15.017 0.043 541 HD2 PHE 69 HD1 PHE 69 -2.459 14.698 -4.123 542 HE1 PHE 69 HE2 PHE 69 -0.024 16.812 -0.408 543 HE2 PHE 69 HE1 PHE 69 -0.839 16.493 -4.580 544 HZ PHE 69 HZ PHE 69 0.382 17.552 -2.722 545 H LYS 70 H LYS 70 -4.492 15.918 0.904 546 HA LYS 70 HA LYS 70 -2.886 14.542 2.924 547 HB2 LYS 70 HB2 LYS 70 -2.450 16.608 3.867 548 HB3 LYS 70 HB3 LYS 70 -2.617 17.031 2.168 549 HG2 LYS 70 HG2 LYS 70 -4.990 17.641 2.629 550 HG3 LYS 70 HG3 LYS 70 -4.665 17.383 4.344 551 HD2 LYS 70 HD2 LYS 70 -3.309 19.382 2.535 552 HD3 LYS 70 HD3 LYS 70 -4.473 19.739 3.813 553 HE2 LYS 70 HE2 LYS 70 -2.479 18.215 5.036 554 HE3 LYS 70 HE3 LYS 70 -1.620 19.336 3.980 555 HZ1 LYS 70 HZ1 LYS 70 -2.994 21.134 5.007 556 HZ2 LYS 70 HZ2 LYS 70 -1.893 20.398 6.059 557 HZ3 LYS 70 HZ3 LYS 70 -3.536 20.002 6.142 558 H LEU 71 H LEU 71 -6.013 14.556 2.079 559 HA LEU 71 HA LEU 71 -7.161 14.843 4.733 560 HB2 LEU 71 HB2 LEU 71 -8.677 13.800 2.385 561 HB3 LEU 71 HB3 LEU 71 -9.237 14.796 3.728 562 HG LEU 71 HG LEU 71 -7.435 15.807 1.532 563 HD11 LEU 71 HD11 LEU 71 -9.325 16.719 0.448 564 HD12 LEU 71 HD12 LEU 71 -10.393 16.283 1.782 565 HD13 LEU 71 HD13 LEU 71 -9.707 15.024 0.754 566 HD21 LEU 71 HD21 LEU 71 -9.175 17.394 3.395 567 HD22 LEU 71 HD22 LEU 71 -7.828 17.947 2.400 568 HD23 LEU 71 HD23 LEU 71 -7.524 16.943 3.819 569 H GLN 72 H GLN 72 -8.890 13.038 5.229 570 HA GLN 72 HA GLN 72 -7.415 10.503 5.205 571 HB2 GLN 72 HB2 GLN 72 -8.650 11.888 7.266 572 HB3 GLN 72 HB3 GLN 72 -9.787 10.599 6.896 573 HG2 GLN 72 HG2 GLN 72 -8.173 8.924 7.331 574 HG3 GLN 72 HG3 GLN 72 -6.867 10.107 7.393 575 HE21 GLN 72 HE21 GLN 72 -6.438 9.048 9.462 576 HE22 GLN 72 HE22 GLN 72 -7.290 9.588 10.864 577 H VAL 73 H VAL 73 -8.810 8.501 5.185 578 HA VAL 73 HA VAL 73 -10.199 8.312 2.776 579 HB VAL 73 HB VAL 73 -9.292 6.320 3.707 580 HG11 VAL 73 HG11 VAL 73 -10.460 7.315 6.145 581 HG12 VAL 73 HG12 VAL 73 -10.901 5.627 5.881 582 HG13 VAL 73 HG13 VAL 73 -9.202 6.100 5.918 583 HG21 VAL 73 HG21 VAL 73 -11.785 6.433 2.673 584 HG22 VAL 73 HG22 VAL 73 -10.951 4.932 3.073 585 HG23 VAL 73 HG23 VAL 73 -12.108 5.627 4.208 586 H GLY 74 H GLY 74 -11.888 9.697 2.480 587 HA2 GLY 74 HA2 GLY 74 -14.199 10.063 2.490 588 HA3 GLY 74 HA3 GLY 74 -14.329 9.068 3.933 589 H GLU 75 H GLU 75 -11.958 11.590 3.829 590 HA GLU 75 HA GLU 75 -13.547 13.092 5.794 591 HB2 GLU 75 HB2 GLU 75 -10.970 12.139 5.975 592 HB3 GLU 75 HB3 GLU 75 -10.724 13.820 5.523 593 HG2 GLU 75 HG2 GLU 75 -10.705 13.860 7.840 594 HG3 GLU 75 HG3 GLU 75 -12.340 14.374 7.427 595 H VAL 76 H VAL 76 -14.171 15.126 5.393 596 HA VAL 76 HA VAL 76 -13.691 16.231 2.768 597 HB VAL 76 HB VAL 76 -15.257 17.404 5.071 598 HG11 VAL 76 HG11 VAL 76 -14.947 18.159 2.186 599 HG12 VAL 76 HG12 VAL 76 -16.397 18.593 3.094 600 HG13 VAL 76 HG13 VAL 76 -14.817 19.175 3.621 601 HG21 VAL 76 HG21 VAL 76 -16.879 16.443 2.923 602 HG22 VAL 76 HG22 VAL 76 -15.821 15.145 3.478 603 HG23 VAL 76 HG23 VAL 76 -16.887 15.962 4.620 604 H SER 77 H SER 77 -12.412 17.916 2.245 605 HA SER 77 HA SER 77 -10.432 18.763 4.139 606 HB2 SER 77 HB2 SER 77 -9.280 19.610 2.335 607 HB3 SER 77 HB3 SER 77 -10.303 18.438 1.504 608 HG SER 77 HG SER 77 -11.813 20.297 1.282 609 H GLU 78 H GLU 78 -9.967 21.396 3.505 610 HA GLU 78 HA GLU 78 -12.263 22.704 4.784 611 HB2 GLU 78 HB2 GLU 78 -10.450 24.555 5.125 612 HB3 GLU 78 HB3 GLU 78 -10.448 23.127 6.151 613 HG2 GLU 78 HG2 GLU 78 -8.707 22.127 4.775 614 HG3 GLU 78 HG3 GLU 78 -8.717 23.541 3.723 615 HA PRO 79 HA PRO 79 -13.172 25.246 1.328 616 HB2 PRO 79 HB2 PRO 79 -13.700 27.647 2.480 617 HB3 PRO 79 HB3 PRO 79 -14.786 26.259 2.613 618 HG2 PRO 79 HG2 PRO 79 -12.768 27.280 4.575 619 HG3 PRO 79 HG3 PRO 79 -14.420 26.704 4.866 620 HD2 PRO 79 HD2 PRO 79 -12.240 25.164 5.319 621 HD3 PRO 79 HD3 PRO 79 -13.795 24.486 4.794 622 H ILE 80 H ILE 80 -10.985 25.151 0.459 623 HA ILE 80 HA ILE 80 -9.087 27.195 1.131 624 HB ILE 80 HB ILE 80 -9.073 25.417 -1.306 625 HG12 ILE 80 HG12 ILE 80 -9.273 24.119 0.813 626 HG13 ILE 80 HG13 ILE 80 -7.756 23.837 -0.033 627 HG21 ILE 80 HG21 ILE 80 -6.501 25.782 -0.699 628 HG22 ILE 80 HG22 ILE 80 -7.396 26.876 -1.751 629 HG23 ILE 80 HG23 ILE 80 -7.153 27.287 -0.053 630 HD11 ILE 80 HD11 ILE 80 -6.638 25.394 1.501 631 HD12 ILE 80 HD12 ILE 80 -8.159 25.598 2.370 632 HD13 ILE 80 HD13 ILE 80 -7.368 24.023 2.336 633 H LYS 81 H LYS 81 -9.489 29.245 0.617 634 HA LYS 81 HA LYS 81 -11.143 30.014 -1.582 635 HB2 LYS 81 HB2 LYS 81 -10.864 31.296 0.576 636 HB3 LYS 81 HB3 LYS 81 -9.272 31.779 0.003 637 HG2 LYS 81 HG2 LYS 81 -10.231 33.513 -0.982 638 HG3 LYS 81 HG3 LYS 81 -11.020 32.386 -2.087 639 HD2 LYS 81 HD2 LYS 81 -12.948 32.249 -0.677 640 HD3 LYS 81 HD3 LYS 81 -12.142 33.160 0.602 641 HE2 LYS 81 HE2 LYS 81 -12.111 35.142 -0.771 642 HE3 LYS 81 HE3 LYS 81 -12.762 34.246 -2.143 643 HZ1 LYS 81 HZ1 LYS 81 -14.576 35.365 -1.220 644 HZ2 LYS 81 HZ2 LYS 81 -14.131 34.995 0.370 645 HZ3 LYS 81 HZ3 LYS 81 -14.734 33.781 -0.643 646 H SER 82 H SER 82 -10.520 29.925 -3.630 647 HA SER 82 HA SER 82 -7.798 30.807 -4.309 648 HB2 SER 82 HB2 SER 82 -8.041 28.284 -4.365 649 HB3 SER 82 HB3 SER 82 -9.182 28.503 -5.692 650 HG SER 82 HG SER 82 -6.633 29.688 -5.805 651 H GLU 83 H GLU 83 -7.840 30.740 -6.981 652 HA GLU 83 HA GLU 83 -9.310 33.006 -7.701 653 HB2 GLU 83 HB2 GLU 83 -8.671 32.435 -10.034 654 HB3 GLU 83 HB3 GLU 83 -7.317 32.401 -8.914 655 HG2 GLU 83 HG2 GLU 83 -7.906 29.854 -8.765 656 HG3 GLU 83 HG3 GLU 83 -8.672 30.159 -10.322 657 H PHE 84 H PHE 84 -10.158 29.651 -7.706 658 HA PHE 84 HA PHE 84 -12.532 30.128 -9.340 659 HB2 PHE 84 HB2 PHE 84 -11.666 27.519 -8.092 660 HB3 PHE 84 HB3 PHE 84 -12.797 27.753 -9.420 661 HD1 PHE 84 HD1 PHE 84 -11.571 29.348 -11.346 662 HD2 PHE 84 HD2 PHE 84 -9.718 26.528 -8.751 663 HE1 PHE 84 HE1 PHE 84 -9.732 29.079 -12.957 664 HE2 PHE 84 HE2 PHE 84 -7.874 26.256 -10.358 665 HZ PHE 84 HZ PHE 84 -7.880 27.532 -12.465 666 H GLY 85 H GLY 85 -11.586 30.000 -6.074 667 HA2 GLY 85 HA2 GLY 85 -13.298 30.908 -4.528 668 HA3 GLY 85 HA3 GLY 85 -14.416 29.762 -5.253 669 H TYR 86 H TYR 86 -14.780 29.070 -3.033 670 HA TYR 86 HA TYR 86 -12.687 27.841 -1.536 671 HB2 TYR 86 HB2 TYR 86 -15.695 27.673 -1.275 672 HB3 TYR 86 HB3 TYR 86 -14.561 26.980 -0.120 673 HD1 TYR 86 HD2 TYR 86 -12.699 28.760 0.688 674 HD2 TYR 86 HD1 TYR 86 -16.590 29.724 -0.740 675 HE1 TYR 86 HE2 TYR 86 -12.599 30.906 1.883 676 HE2 TYR 86 HE1 TYR 86 -16.501 31.874 0.450 677 HH TYR 86 HH TYR 86 -13.651 32.796 2.365 678 H HIS 87 H HIS 87 -11.790 25.933 -1.896 679 HA HIS 87 HA HIS 87 -13.179 23.998 -3.599 680 HB2 HIS 87 HB2 HIS 87 -10.296 24.292 -2.763 681 HB3 HIS 87 HB3 HIS 87 -10.896 22.861 -3.595 682 HD1 HIS 87 HD1 HIS 87 -11.305 23.041 -6.096 683 HD2 HIS 87 HD2 HIS 87 -10.261 26.658 -4.340 684 HE1 HIS 87 HE1 HIS 87 -10.858 24.612 -8.009 685 H ILE 88 H ILE 88 -14.134 22.273 -2.757 686 HA ILE 88 HA ILE 88 -13.383 21.451 -0.028 687 HB ILE 88 HB ILE 88 -16.038 21.104 -1.425 688 HG12 ILE 88 HG12 ILE 88 -15.569 23.426 -0.720 689 HG13 ILE 88 HG13 ILE 88 -16.885 22.710 0.205 690 HG21 ILE 88 HG21 ILE 88 -16.641 20.512 1.065 691 HG22 ILE 88 HG22 ILE 88 -16.003 19.289 -0.033 692 HG23 ILE 88 HG23 ILE 88 -14.936 20.067 1.136 693 HD11 ILE 88 HD11 ILE 88 -15.473 23.967 1.673 694 HD12 ILE 88 HD12 ILE 88 -15.282 22.250 2.030 695 HD13 ILE 88 HD13 ILE 88 -14.043 23.103 1.108 696 H ILE 89 H ILE 89 -11.749 20.032 -0.752 697 HA ILE 89 HA ILE 89 -12.407 17.888 -2.572 698 HB ILE 89 HB ILE 89 -9.928 18.091 -0.875 699 HG12 ILE 89 HG12 ILE 89 -9.266 19.006 -3.407 700 HG13 ILE 89 HG13 ILE 89 -10.814 19.780 -3.085 701 HG21 ILE 89 HG21 ILE 89 -10.835 16.129 -2.596 702 HG22 ILE 89 HG22 ILE 89 -9.685 17.045 -3.570 703 HG23 ILE 89 HG23 ILE 89 -9.177 16.341 -2.035 704 HD11 ILE 89 HD11 ILE 89 -8.184 20.211 -1.845 705 HD12 ILE 89 HD12 ILE 89 -9.505 21.341 -2.140 706 HD13 ILE 89 HD13 ILE 89 -9.569 20.250 -0.755 707 H LYS 90 H LYS 90 -12.984 15.857 -2.070 708 HA LYS 90 HA LYS 90 -12.817 14.999 0.736 709 HB2 LYS 90 HB2 LYS 90 -15.108 15.754 0.334 710 HB3 LYS 90 HB3 LYS 90 -15.227 14.700 -1.068 711 HG2 LYS 90 HG2 LYS 90 -14.747 12.789 0.569 712 HG3 LYS 90 HG3 LYS 90 -15.130 13.961 1.832 713 HD2 LYS 90 HD2 LYS 90 -17.341 14.215 1.075 714 HD3 LYS 90 HD3 LYS 90 -16.984 13.455 -0.479 715 HE2 LYS 90 HE2 LYS 90 -16.470 11.349 0.857 716 HE3 LYS 90 HE3 LYS 90 -17.232 12.161 2.224 717 HZ1 LYS 90 HZ1 LYS 90 -18.727 10.687 0.911 718 HZ2 LYS 90 HZ2 LYS 90 -18.574 11.757 -0.389 719 HZ3 LYS 90 HZ3 LYS 90 -19.276 12.281 1.057 720 H ARG 91 H ARG 91 -11.709 13.172 0.876 721 HA ARG 91 HA ARG 91 -11.004 11.627 -1.399 722 HB2 ARG 91 HB2 ARG 91 -9.529 11.818 0.544 723 HB3 ARG 91 HB3 ARG 91 -10.721 11.001 1.545 724 HG2 ARG 91 HG2 ARG 91 -10.426 8.956 0.343 725 HG3 ARG 91 HG3 ARG 91 -9.398 9.751 -0.851 726 HD2 ARG 91 HD2 ARG 91 -8.720 9.616 2.079 727 HD3 ARG 91 HD3 ARG 91 -8.205 8.396 0.915 728 HE ARG 91 HE ARG 91 -7.464 10.940 -0.020 729 HH11 ARG 91 HH11 ARG 91 -6.662 8.655 2.480 730 HH12 ARG 91 HH12 ARG 91 -5.015 9.175 2.608 731 HH21 ARG 91 HH21 ARG 91 -5.297 11.633 0.138 732 HH22 ARG 91 HH22 ARG 91 -4.239 10.869 1.276 733 H PHE 92 H PHE 92 -11.656 9.583 -2.029 734 HA PHE 92 HA PHE 92 -14.142 8.603 -0.786 735 HB2 PHE 92 HB2 PHE 92 -13.380 8.965 -3.646 736 HB3 PHE 92 HB3 PHE 92 -14.404 7.594 -3.233 737 HD1 PHE 92 HD1 PHE 92 -14.243 11.153 -2.115 738 HD2 PHE 92 HD2 PHE 92 -16.598 8.003 -3.743 739 HE1 PHE 92 HE1 PHE 92 -16.212 12.631 -2.118 740 HE2 PHE 92 HE2 PHE 92 -18.569 9.475 -3.750 741 HZ PHE 92 HZ PHE 92 -18.378 11.792 -2.938 742 H GLY 93 H GLY 93 -11.035 7.799 -2.172 743 HA2 GLY 93 HA2 GLY 93 -11.194 5.051 -2.405 744 HA3 GLY 93 HA3 GLY 93 -9.734 5.918 -1.954 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.260 -1.205 -1.316 2 HA2 GLY 1 HA2 GLY 1 0.982 -1.640 -3.668 3 HA3 GLY 1 HA3 GLY 1 -0.573 -0.974 -4.142 4 HA PRO 2 HA PRO 2 2.705 2.368 -4.170 5 HB2 PRO 2 HB2 PRO 2 2.339 3.092 -6.761 6 HB3 PRO 2 HB3 PRO 2 3.466 1.821 -6.269 7 HG2 PRO 2 HG2 PRO 2 0.686 1.573 -7.353 8 HG3 PRO 2 HG3 PRO 2 2.132 0.629 -7.754 9 HD2 PRO 2 HD2 PRO 2 0.219 -0.280 -6.067 10 HD3 PRO 2 HD3 PRO 2 1.933 -0.704 -5.884 11 H SER 3 H SER 3 2.133 4.360 -3.555 12 HA SER 3 HA SER 3 -0.644 5.177 -3.855 13 HB2 SER 3 HB2 SER 3 1.559 6.602 -2.353 14 HB3 SER 3 HB3 SER 3 -0.180 6.837 -2.178 15 HG SER 3 HG SER 3 1.310 4.518 -1.502 16 H ASN 4 H ASN 4 -0.079 5.366 -6.264 17 HA ASN 4 HA ASN 4 1.348 7.785 -6.984 18 HB2 ASN 4 HB2 ASN 4 0.141 5.496 -8.475 19 HB3 ASN 4 HB3 ASN 4 0.384 7.016 -9.331 20 HD21 ASN 4 HD21 ASN 4 2.642 7.987 -8.856 21 HD22 ASN 4 HD22 ASN 4 3.958 6.880 -9.013 22 H LYS 5 H LYS 5 -1.972 6.553 -7.085 23 HA LYS 5 HA LYS 5 -2.921 9.325 -7.226 24 HB2 LYS 5 HB2 LYS 5 -4.840 8.125 -8.682 25 HB3 LYS 5 HB3 LYS 5 -3.435 8.905 -9.396 26 HG2 LYS 5 HG2 LYS 5 -2.298 6.751 -9.529 27 HG3 LYS 5 HG3 LYS 5 -3.700 5.965 -8.799 28 HD2 LYS 5 HD2 LYS 5 -3.975 5.603 -11.092 29 HD3 LYS 5 HD3 LYS 5 -5.034 6.973 -10.746 30 HE2 LYS 5 HE2 LYS 5 -3.856 7.490 -12.744 31 HE3 LYS 5 HE3 LYS 5 -3.155 8.477 -11.463 32 HZ1 LYS 5 HZ1 LYS 5 -1.583 7.280 -13.055 33 HZ2 LYS 5 HZ2 LYS 5 -1.974 5.873 -12.200 34 HZ3 LYS 5 HZ3 LYS 5 -1.249 7.176 -11.399 35 H ILE 6 H ILE 6 -5.197 9.552 -6.560 36 HA ILE 6 HA ILE 6 -6.335 7.353 -5.045 37 HB ILE 6 HB ILE 6 -6.573 8.691 -2.983 38 HG12 ILE 6 HG12 ILE 6 -4.412 10.537 -3.885 39 HG13 ILE 6 HG13 ILE 6 -6.052 10.863 -4.435 40 HG21 ILE 6 HG21 ILE 6 -3.696 8.343 -3.810 41 HG22 ILE 6 HG22 ILE 6 -4.331 8.353 -2.165 42 HG23 ILE 6 HG23 ILE 6 -4.754 7.042 -3.264 43 HD11 ILE 6 HD11 ILE 6 -5.758 12.139 -2.491 44 HD12 ILE 6 HD12 ILE 6 -6.733 10.753 -2.000 45 HD13 ILE 6 HD13 ILE 6 -5.011 10.797 -1.625 46 H LYS 7 H LYS 7 -8.532 7.607 -4.582 47 HA LYS 7 HA LYS 7 -9.969 9.258 -6.393 48 HB2 LYS 7 HB2 LYS 7 -10.527 7.047 -4.690 49 HB3 LYS 7 HB3 LYS 7 -11.682 8.317 -4.312 50 HG2 LYS 7 HG2 LYS 7 -11.883 8.410 -6.950 51 HG3 LYS 7 HG3 LYS 7 -11.335 6.739 -6.798 52 HD2 LYS 7 HD2 LYS 7 -13.482 6.226 -6.441 53 HD3 LYS 7 HD3 LYS 7 -13.269 6.949 -4.844 54 HE2 LYS 7 HE2 LYS 7 -13.900 9.154 -5.890 55 HE3 LYS 7 HE3 LYS 7 -14.349 8.252 -7.336 56 HZ1 LYS 7 HZ1 LYS 7 -15.940 8.754 -5.159 57 HZ2 LYS 7 HZ2 LYS 7 -15.517 7.124 -4.998 58 HZ3 LYS 7 HZ3 LYS 7 -16.265 7.667 -6.414 59 H CYS 8 H CYS 8 -11.047 11.145 -6.090 60 HA CYS 8 HA CYS 8 -11.536 12.249 -3.494 61 HB2 CYS 8 HB2 CYS 8 -9.033 12.832 -4.751 62 HB3 CYS 8 HB3 CYS 8 -10.005 14.299 -4.730 63 HG CYS 8 HG CYS 8 -10.357 14.345 -1.984 64 H SER 9 H SER 9 -12.457 14.504 -3.680 65 HA SER 9 HA SER 9 -13.750 14.918 -6.290 66 HB2 SER 9 HB2 SER 9 -15.126 15.141 -3.602 67 HB3 SER 9 HB3 SER 9 -15.863 15.433 -5.177 68 HG SER 9 HG SER 9 -14.628 12.968 -4.770 69 H HIS 10 H HIS 10 -15.218 17.149 -5.721 70 HA HIS 10 HA HIS 10 -13.819 19.141 -4.276 71 HB2 HIS 10 HB2 HIS 10 -13.033 20.485 -6.219 72 HB3 HIS 10 HB3 HIS 10 -12.161 18.968 -6.027 73 HD1 HIS 10 HD1 HIS 10 -13.687 20.961 -8.546 74 HD2 HIS 10 HD2 HIS 10 -13.394 16.878 -7.836 75 HE1 HIS 10 HE1 HIS 10 -14.162 19.859 -10.756 76 H ILE 11 H ILE 11 -14.917 21.119 -4.241 77 HA ILE 11 HA ILE 11 -17.250 21.448 -5.952 78 HB ILE 11 HB ILE 11 -17.438 21.234 -2.949 79 HG12 ILE 11 HG12 ILE 11 -18.948 19.810 -5.149 80 HG13 ILE 11 HG13 ILE 11 -17.581 19.131 -4.273 81 HG21 ILE 11 HG21 ILE 11 -18.712 23.148 -3.477 82 HG22 ILE 11 HG22 ILE 11 -19.365 22.403 -4.936 83 HG23 ILE 11 HG23 ILE 11 -19.869 21.824 -3.348 84 HD11 ILE 11 HD11 ILE 11 -20.265 19.877 -3.145 85 HD12 ILE 11 HD12 ILE 11 -19.606 18.255 -3.357 86 HD13 ILE 11 HD13 ILE 11 -18.886 19.353 -2.179 87 H LEU 12 H LEU 12 -17.139 23.456 -6.686 88 HA LEU 12 HA LEU 12 -15.797 25.504 -5.087 89 HB2 LEU 12 HB2 LEU 12 -16.356 25.099 -7.966 90 HB3 LEU 12 HB3 LEU 12 -16.318 26.764 -7.388 91 HG LEU 12 HG LEU 12 -14.168 26.145 -8.306 92 HD11 LEU 12 HD11 LEU 12 -14.353 27.618 -6.267 93 HD12 LEU 12 HD12 LEU 12 -12.786 26.852 -6.524 94 HD13 LEU 12 HD13 LEU 12 -13.894 26.208 -5.312 95 HD21 LEU 12 HD21 LEU 12 -13.079 24.219 -7.905 96 HD22 LEU 12 HD22 LEU 12 -14.673 23.639 -7.420 97 HD23 LEU 12 HD23 LEU 12 -13.528 24.197 -6.199 98 H VAL 13 H VAL 13 -16.835 27.173 -4.175 99 HA VAL 13 HA VAL 13 -19.629 27.681 -4.941 100 HB VAL 13 HB VAL 13 -20.262 27.999 -2.616 101 HG11 VAL 13 HG11 VAL 13 -18.894 25.329 -2.808 102 HG12 VAL 13 HG12 VAL 13 -20.396 25.733 -1.974 103 HG13 VAL 13 HG13 VAL 13 -20.339 25.726 -3.737 104 HG21 VAL 13 HG21 VAL 13 -17.499 27.032 -1.891 105 HG22 VAL 13 HG22 VAL 13 -18.021 28.715 -1.818 106 HG23 VAL 13 HG23 VAL 13 -18.783 27.509 -0.780 107 H SER 14 H SER 14 -20.287 29.765 -3.442 108 HA SER 14 HA SER 14 -18.247 31.789 -4.090 109 HB2 SER 14 HB2 SER 14 -20.085 32.268 -5.470 110 HB3 SER 14 HB3 SER 14 -21.253 31.864 -4.212 111 HG SER 14 HG SER 14 -19.892 34.221 -4.678 112 H LYS 15 H LYS 15 -20.159 30.387 -1.620 113 HA LYS 15 HA LYS 15 -19.120 32.364 0.292 114 HB2 LYS 15 HB2 LYS 15 -21.232 32.201 1.569 115 HB3 LYS 15 HB3 LYS 15 -21.463 32.894 -0.030 116 HG2 LYS 15 HG2 LYS 15 -21.969 30.354 -0.627 117 HG3 LYS 15 HG3 LYS 15 -22.410 30.322 1.081 118 HD2 LYS 15 HD2 LYS 15 -23.476 32.297 -0.934 119 HD3 LYS 15 HD3 LYS 15 -24.319 30.836 -0.415 120 HE2 LYS 15 HE2 LYS 15 -25.260 32.282 1.052 121 HE3 LYS 15 HE3 LYS 15 -23.811 31.902 1.980 122 HZ1 LYS 15 HZ1 LYS 15 -24.615 34.387 1.302 123 HZ2 LYS 15 HZ2 LYS 15 -23.457 34.062 0.112 124 HZ3 LYS 15 HZ3 LYS 15 -23.038 33.968 1.749 125 H GLN 16 H GLN 16 -18.679 31.569 2.383 126 HA GLN 16 HA GLN 16 -17.696 28.927 2.468 127 HB2 GLN 16 HB2 GLN 16 -18.043 31.113 4.481 128 HB3 GLN 16 HB3 GLN 16 -17.627 29.496 5.034 129 HG2 GLN 16 HG2 GLN 16 -15.768 29.710 3.182 130 HG3 GLN 16 HG3 GLN 16 -16.027 31.433 3.454 131 HE21 GLN 16 HE21 GLN 16 -15.081 32.366 5.146 132 HE22 GLN 16 HE22 GLN 16 -14.239 31.532 6.403 133 H SER 17 H SER 17 -20.758 30.323 3.295 134 HA SER 17 HA SER 17 -21.715 28.367 5.067 135 HB2 SER 17 HB2 SER 17 -23.770 29.409 4.879 136 HB3 SER 17 HB3 SER 17 -22.708 30.696 4.308 137 HG SER 17 HG SER 17 -24.471 29.066 2.877 138 H GLU 18 H GLU 18 -21.092 28.238 1.717 139 HA GLU 18 HA GLU 18 -22.834 25.905 1.354 140 HB2 GLU 18 HB2 GLU 18 -21.331 27.608 -0.637 141 HB3 GLU 18 HB3 GLU 18 -22.228 26.159 -1.068 142 HG2 GLU 18 HG2 GLU 18 -23.537 28.436 0.371 143 HG3 GLU 18 HG3 GLU 18 -23.366 28.424 -1.383 144 H ALA 19 H ALA 19 -19.466 26.939 0.950 145 HA ALA 19 HA ALA 19 -18.476 24.409 0.157 146 HB1 ALA 19 HB1 ALA 19 -16.359 25.739 1.369 147 HB2 ALA 19 HB2 ALA 19 -16.789 25.769 -0.341 148 HB3 ALA 19 HB3 ALA 19 -17.392 27.023 0.741 149 H LEU 20 H LEU 20 -18.482 26.080 3.300 150 HA LEU 20 HA LEU 20 -17.270 23.915 4.699 151 HB2 LEU 20 HB2 LEU 20 -17.449 26.439 5.308 152 HB3 LEU 20 HB3 LEU 20 -18.989 25.971 6.027 153 HG LEU 20 HG LEU 20 -17.788 24.382 7.488 154 HD11 LEU 20 HD11 LEU 20 -15.858 23.860 6.203 155 HD12 LEU 20 HD12 LEU 20 -15.305 24.676 7.666 156 HD13 LEU 20 HD13 LEU 20 -15.367 25.554 6.137 157 HD21 LEU 20 HD21 LEU 20 -16.662 26.119 8.886 158 HD22 LEU 20 HD22 LEU 20 -18.303 26.532 8.388 159 HD23 LEU 20 HD23 LEU 20 -16.922 27.266 7.572 160 H ALA 21 H ALA 21 -20.444 24.534 3.613 161 HA ALA 21 HA ALA 21 -21.841 23.021 5.602 162 HB1 ALA 21 HB1 ALA 21 -23.283 24.479 4.605 163 HB2 ALA 21 HB2 ALA 21 -22.543 24.298 3.014 164 HB3 ALA 21 HB3 ALA 21 -23.610 23.040 3.637 165 H ILE 22 H ILE 22 -19.761 22.125 3.169 166 HA ILE 22 HA ILE 22 -21.065 19.772 2.215 167 HB ILE 22 HB ILE 22 -18.135 20.508 2.167 168 HG12 ILE 22 HG12 ILE 22 -19.500 22.113 0.946 169 HG13 ILE 22 HG13 ILE 22 -18.595 21.118 -0.190 170 HG21 ILE 22 HG21 ILE 22 -19.632 18.154 1.217 171 HG22 ILE 22 HG22 ILE 22 -18.472 18.841 0.081 172 HG23 ILE 22 HG23 ILE 22 -17.937 18.315 1.676 173 HD11 ILE 22 HD11 ILE 22 -20.840 19.697 -0.105 174 HD12 ILE 22 HD12 ILE 22 -21.502 21.281 0.299 175 HD13 ILE 22 HD13 ILE 22 -20.609 21.055 -1.206 176 H MET 23 H MET 23 -19.109 20.542 4.974 177 HA MET 23 HA MET 23 -18.711 17.717 5.613 178 HB2 MET 23 HB2 MET 23 -17.366 18.639 7.532 179 HB3 MET 23 HB3 MET 23 -16.751 19.034 5.933 180 HG2 MET 23 HG2 MET 23 -17.618 21.258 6.077 181 HG3 MET 23 HG3 MET 23 -18.453 20.883 7.583 182 HE1 MET 23 HE1 MET 23 -16.197 23.363 8.882 183 HE2 MET 23 HE2 MET 23 -17.811 22.698 8.631 184 HE3 MET 23 HE3 MET 23 -16.826 22.138 9.984 185 H GLU 24 H GLU 24 -20.897 20.209 6.221 186 HA GLU 24 HA GLU 24 -21.724 19.100 8.804 187 HB2 GLU 24 HB2 GLU 24 -23.041 21.464 7.526 188 HB3 GLU 24 HB3 GLU 24 -22.831 21.094 9.232 189 HG2 GLU 24 HG2 GLU 24 -20.255 21.362 8.443 190 HG3 GLU 24 HG3 GLU 24 -21.061 22.507 7.371 191 H LYS 25 H LYS 25 -23.014 19.852 5.587 192 HA LYS 25 HA LYS 25 -25.619 18.930 5.976 193 HB2 LYS 25 HB2 LYS 25 -23.886 19.074 3.513 194 HB3 LYS 25 HB3 LYS 25 -25.562 18.542 3.453 195 HG2 LYS 25 HG2 LYS 25 -24.911 21.148 4.743 196 HG3 LYS 25 HG3 LYS 25 -24.935 21.031 2.981 197 HD2 LYS 25 HD2 LYS 25 -27.219 20.025 4.650 198 HD3 LYS 25 HD3 LYS 25 -27.100 21.721 4.176 199 HE2 LYS 25 HE2 LYS 25 -26.795 19.633 2.078 200 HE3 LYS 25 HE3 LYS 25 -28.409 19.962 2.706 201 HZ1 LYS 25 HZ1 LYS 25 -27.705 21.276 0.697 202 HZ2 LYS 25 HZ2 LYS 25 -26.626 22.103 1.703 203 HZ3 LYS 25 HZ3 LYS 25 -28.290 22.186 2.000 204 H LEU 26 H LEU 26 -22.841 17.192 4.568 205 HA LEU 26 HA LEU 26 -24.112 14.727 4.245 206 HB2 LEU 26 HB2 LEU 26 -21.201 15.213 4.853 207 HB3 LEU 26 HB3 LEU 26 -21.888 13.768 4.115 208 HG LEU 26 HG LEU 26 -21.708 16.518 2.894 209 HD11 LEU 26 HD11 LEU 26 -19.977 15.760 1.652 210 HD12 LEU 26 HD12 LEU 26 -20.582 14.105 1.613 211 HD13 LEU 26 HD13 LEU 26 -19.750 14.705 3.048 212 HD21 LEU 26 HD21 LEU 26 -23.249 14.088 2.117 213 HD22 LEU 26 HD22 LEU 26 -22.540 15.096 0.855 214 HD23 LEU 26 HD23 LEU 26 -23.692 15.791 1.997 215 H LYS 27 H LYS 27 -22.836 16.267 7.069 216 HA LYS 27 HA LYS 27 -22.360 14.094 8.737 217 HB2 LYS 27 HB2 LYS 27 -22.052 16.672 9.105 218 HB3 LYS 27 HB3 LYS 27 -23.661 16.573 9.804 219 HG2 LYS 27 HG2 LYS 27 -22.952 15.194 11.545 220 HG3 LYS 27 HG3 LYS 27 -21.460 14.756 10.711 221 HD2 LYS 27 HD2 LYS 27 -20.987 17.335 10.877 222 HD3 LYS 27 HD3 LYS 27 -22.146 17.245 12.205 223 HE2 LYS 27 HE2 LYS 27 -19.750 15.437 11.985 224 HE3 LYS 27 HE3 LYS 27 -19.712 16.983 12.833 225 HZ1 LYS 27 HZ1 LYS 27 -21.321 16.221 14.373 226 HZ2 LYS 27 HZ2 LYS 27 -20.148 15.007 14.263 227 HZ3 LYS 27 HZ3 LYS 27 -21.635 14.820 13.477 228 H SER 28 H SER 28 -25.344 15.402 7.578 229 HA SER 28 HA SER 28 -26.969 14.107 9.587 230 HB2 SER 28 HB2 SER 28 -27.771 15.470 7.004 231 HB3 SER 28 HB3 SER 28 -28.872 14.958 8.283 232 HG SER 28 HG SER 28 -26.834 16.924 8.458 233 H GLY 29 H GLY 29 -25.671 13.359 6.473 234 HA2 GLY 29 HA2 GLY 29 -25.591 10.901 6.053 235 HA3 GLY 29 HA3 GLY 29 -27.313 10.901 6.407 236 H GLU 30 H GLU 30 -25.785 13.454 4.575 237 HA GLU 30 HA GLU 30 -27.486 12.808 2.309 238 HB2 GLU 30 HB2 GLU 30 -25.571 15.123 2.456 239 HB3 GLU 30 HB3 GLU 30 -27.048 14.983 1.513 240 HG2 GLU 30 HG2 GLU 30 -26.925 15.167 4.514 241 HG3 GLU 30 HG3 GLU 30 -27.271 16.509 3.425 242 H LYS 31 H LYS 31 -26.043 13.792 0.192 243 HA LYS 31 HA LYS 31 -23.745 11.954 0.028 244 HB2 LYS 31 HB2 LYS 31 -25.877 11.303 -1.252 245 HB3 LYS 31 HB3 LYS 31 -25.500 12.651 -2.318 246 HG2 LYS 31 HG2 LYS 31 -24.397 11.091 -3.487 247 HG3 LYS 31 HG3 LYS 31 -23.126 11.367 -2.293 248 HD2 LYS 31 HD2 LYS 31 -25.243 9.386 -1.640 249 HD3 LYS 31 HD3 LYS 31 -24.034 8.936 -2.845 250 HE2 LYS 31 HE2 LYS 31 -23.370 9.991 -0.102 251 HE3 LYS 31 HE3 LYS 31 -23.472 8.276 -0.496 252 HZ1 LYS 31 HZ1 LYS 31 -21.827 9.401 -2.405 253 HZ2 LYS 31 HZ2 LYS 31 -21.365 8.400 -1.123 254 HZ3 LYS 31 HZ3 LYS 31 -21.334 10.081 -0.936 255 H PHE 32 H PHE 32 -21.898 12.715 -0.884 256 HA PHE 32 HA PHE 32 -21.391 15.450 -0.946 257 HB2 PHE 32 HB2 PHE 32 -19.642 13.717 -0.721 258 HB3 PHE 32 HB3 PHE 32 -19.884 13.272 -2.408 259 HD1 PHE 32 HD1 PHE 32 -19.388 14.984 -4.189 260 HD2 PHE 32 HD2 PHE 32 -18.221 15.474 -0.125 261 HE1 PHE 32 HE1 PHE 32 -17.735 16.675 -4.871 262 HE2 PHE 32 HE2 PHE 32 -16.568 17.167 -0.800 263 HZ PHE 32 HZ PHE 32 -16.323 17.770 -3.176 264 H GLY 33 H GLY 33 -21.940 13.216 -3.665 265 HA2 GLY 33 HA2 GLY 33 -21.668 15.064 -5.740 266 HA3 GLY 33 HA3 GLY 33 -22.638 13.600 -5.817 267 H LYS 34 H LYS 34 -24.476 14.298 -3.745 268 HA LYS 34 HA LYS 34 -26.436 15.628 -5.212 269 HB2 LYS 34 HB2 LYS 34 -26.109 14.746 -2.411 270 HB3 LYS 34 HB3 LYS 34 -27.284 16.031 -2.666 271 HG2 LYS 34 HG2 LYS 34 -27.300 13.455 -4.214 272 HG3 LYS 34 HG3 LYS 34 -28.195 13.695 -2.712 273 HD2 LYS 34 HD2 LYS 34 -29.191 15.759 -3.884 274 HD3 LYS 34 HD3 LYS 34 -28.582 15.031 -5.372 275 HE2 LYS 34 HE2 LYS 34 -29.853 12.979 -4.840 276 HE3 LYS 34 HE3 LYS 34 -30.512 13.784 -3.416 277 HZ1 LYS 34 HZ1 LYS 34 -31.273 15.548 -5.106 278 HZ2 LYS 34 HZ2 LYS 34 -32.142 14.101 -4.997 279 HZ3 LYS 34 HZ3 LYS 34 -31.044 14.332 -6.261 280 H LEU 35 H LEU 35 -23.862 16.876 -3.279 281 HA LEU 35 HA LEU 35 -25.043 19.561 -3.293 282 HB2 LEU 35 HB2 LEU 35 -22.450 18.846 -1.980 283 HB3 LEU 35 HB3 LEU 35 -23.572 20.148 -1.587 284 HG LEU 35 HG LEU 35 -23.934 17.210 -1.007 285 HD11 LEU 35 HD11 LEU 35 -23.104 19.581 0.577 286 HD12 LEU 35 HD12 LEU 35 -22.562 17.906 0.672 287 HD13 LEU 35 HD13 LEU 35 -24.119 18.369 1.360 288 HD21 LEU 35 HD21 LEU 35 -25.993 17.932 0.159 289 HD22 LEU 35 HD22 LEU 35 -26.074 18.155 -1.588 290 HD23 LEU 35 HD23 LEU 35 -25.789 19.541 -0.534 291 H ALA 36 H ALA 36 -22.506 17.644 -4.678 292 HA ALA 36 HA ALA 36 -20.969 19.853 -5.676 293 HB1 ALA 36 HB1 ALA 36 -20.927 16.900 -6.240 294 HB2 ALA 36 HB2 ALA 36 -19.860 18.045 -7.055 295 HB3 ALA 36 HB3 ALA 36 -19.775 17.851 -5.304 296 H LYS 37 H LYS 37 -23.786 18.181 -6.688 297 HA LYS 37 HA LYS 37 -23.518 18.902 -9.482 298 HB2 LYS 37 HB2 LYS 37 -24.757 16.837 -8.341 299 HB3 LYS 37 HB3 LYS 37 -26.108 17.964 -8.348 300 HG2 LYS 37 HG2 LYS 37 -25.594 18.283 -10.831 301 HG3 LYS 37 HG3 LYS 37 -24.601 16.831 -10.678 302 HD2 LYS 37 HD2 LYS 37 -26.644 15.701 -9.700 303 HD3 LYS 37 HD3 LYS 37 -27.565 17.114 -10.222 304 HE2 LYS 37 HE2 LYS 37 -26.460 16.646 -12.529 305 HE3 LYS 37 HE3 LYS 37 -26.180 15.035 -11.869 306 HZ1 LYS 37 HZ1 LYS 37 -28.630 15.011 -11.353 307 HZ2 LYS 37 HZ2 LYS 37 -28.223 14.933 -12.993 308 HZ3 LYS 37 HZ3 LYS 37 -28.773 16.388 -12.327 309 H GLU 38 H GLU 38 -24.112 20.674 -6.858 310 HA GLU 38 HA GLU 38 -25.809 22.546 -8.348 311 HB2 GLU 38 HB2 GLU 38 -26.187 21.835 -5.433 312 HB3 GLU 38 HB3 GLU 38 -27.064 23.087 -6.303 313 HG2 GLU 38 HG2 GLU 38 -27.140 20.323 -7.378 314 HG3 GLU 38 HG3 GLU 38 -28.073 20.683 -5.927 315 H LEU 39 H LEU 39 -24.057 22.272 -5.250 316 HA LEU 39 HA LEU 39 -23.417 24.968 -4.986 317 HB2 LEU 39 HB2 LEU 39 -21.882 22.557 -4.032 318 HB3 LEU 39 HB3 LEU 39 -21.616 24.208 -3.478 319 HG LEU 39 HG LEU 39 -24.048 22.493 -3.007 320 HD11 LEU 39 HD11 LEU 39 -23.174 22.036 -1.016 321 HD12 LEU 39 HD12 LEU 39 -22.776 23.728 -0.723 322 HD13 LEU 39 HD13 LEU 39 -21.657 22.702 -1.620 323 HD21 LEU 39 HD21 LEU 39 -24.923 24.648 -3.355 324 HD22 LEU 39 HD22 LEU 39 -23.577 25.420 -2.518 325 HD23 LEU 39 HD23 LEU 39 -24.766 24.488 -1.605 326 H SER 40 H SER 40 -21.464 22.337 -6.374 327 HA SER 40 HA SER 40 -19.188 23.746 -7.028 328 HB2 SER 40 HB2 SER 40 -19.863 21.212 -7.371 329 HB3 SER 40 HB3 SER 40 -20.240 21.762 -9.005 330 HG SER 40 HG SER 40 -17.997 22.760 -8.787 331 H ILE 41 H ILE 41 -19.243 25.722 -7.917 332 HA ILE 41 HA ILE 41 -21.133 26.468 -9.937 333 HB ILE 41 HB ILE 41 -19.807 28.579 -10.061 334 HG12 ILE 41 HG12 ILE 41 -18.275 27.863 -7.638 335 HG13 ILE 41 HG13 ILE 41 -17.732 27.097 -9.127 336 HG21 ILE 41 HG21 ILE 41 -20.128 28.553 -7.228 337 HG22 ILE 41 HG22 ILE 41 -21.173 29.265 -8.456 338 HG23 ILE 41 HG23 ILE 41 -21.410 27.589 -7.961 339 HD11 ILE 41 HD11 ILE 41 -18.047 29.700 -9.892 340 HD12 ILE 41 HD12 ILE 41 -17.471 29.853 -8.232 341 HD13 ILE 41 HD13 ILE 41 -16.527 28.944 -9.411 342 H ASP 42 H ASP 42 -17.993 25.067 -9.920 343 HA ASP 42 HA ASP 42 -17.028 25.921 -12.416 344 HB2 ASP 42 HB2 ASP 42 -15.525 24.842 -10.895 345 HB3 ASP 42 HB3 ASP 42 -16.528 23.394 -10.839 346 H SER 43 H SER 43 -17.988 25.680 -14.315 347 HA SER 43 HA SER 43 -20.143 24.065 -14.905 348 HB2 SER 43 HB2 SER 43 -19.367 25.956 -16.314 349 HB3 SER 43 HB3 SER 43 -18.010 24.969 -16.856 350 HG SER 43 HG SER 43 -20.223 25.084 -18.059 351 H GLY 44 H GLY 44 -16.700 23.347 -15.187 352 HA2 GLY 44 HA2 GLY 44 -17.270 20.702 -16.282 353 HA3 GLY 44 HA3 GLY 44 -15.679 21.415 -16.053 354 H SER 45 H SER 45 -18.332 20.984 -13.735 355 HA SER 45 HA SER 45 -16.923 18.867 -12.360 356 HB2 SER 45 HB2 SER 45 -15.769 20.820 -11.459 357 HB3 SER 45 HB3 SER 45 -17.311 21.566 -11.041 358 HG SER 45 HG SER 45 -17.666 19.833 -9.593 359 H ALA 46 H ALA 46 -19.566 21.216 -12.314 360 HA ALA 46 HA ALA 46 -21.208 19.829 -10.479 361 HB1 ALA 46 HB1 ALA 46 -21.306 22.269 -11.721 362 HB2 ALA 46 HB2 ALA 46 -22.644 21.399 -12.476 363 HB3 ALA 46 HB3 ALA 46 -22.583 21.574 -10.722 364 H LYS 47 H LYS 47 -20.349 19.130 -13.671 365 HA LYS 47 HA LYS 47 -22.797 17.691 -14.301 366 HB2 LYS 47 HB2 LYS 47 -21.275 19.024 -15.949 367 HB3 LYS 47 HB3 LYS 47 -20.290 17.568 -15.943 368 HG2 LYS 47 HG2 LYS 47 -22.071 16.262 -16.824 369 HG3 LYS 47 HG3 LYS 47 -23.224 17.579 -16.600 370 HD2 LYS 47 HD2 LYS 47 -20.823 18.047 -18.302 371 HD3 LYS 47 HD3 LYS 47 -22.154 17.090 -18.957 372 HE2 LYS 47 HE2 LYS 47 -22.660 19.742 -17.660 373 HE3 LYS 47 HE3 LYS 47 -22.133 19.648 -19.340 374 HZ1 LYS 47 HZ1 LYS 47 -24.242 19.316 -19.876 375 HZ2 LYS 47 HZ2 LYS 47 -24.710 19.202 -18.255 376 HZ3 LYS 47 HZ3 LYS 47 -24.186 17.823 -19.083 377 H LYS 48 H LYS 48 -19.735 17.095 -12.888 378 HA LYS 48 HA LYS 48 -20.179 14.189 -13.101 379 HB2 LYS 48 HB2 LYS 48 -17.664 14.089 -12.549 380 HB3 LYS 48 HB3 LYS 48 -18.137 14.553 -14.178 381 HG2 LYS 48 HG2 LYS 48 -17.788 16.755 -12.247 382 HG3 LYS 48 HG3 LYS 48 -16.327 15.885 -12.722 383 HD2 LYS 48 HD2 LYS 48 -18.168 16.639 -14.906 384 HD3 LYS 48 HD3 LYS 48 -17.329 17.966 -14.099 385 HE2 LYS 48 HE2 LYS 48 -15.864 17.408 -15.802 386 HE3 LYS 48 HE3 LYS 48 -15.215 16.509 -14.432 387 HZ1 LYS 48 HZ1 LYS 48 -17.166 15.194 -16.184 388 HZ2 LYS 48 HZ2 LYS 48 -15.895 14.521 -15.294 389 HZ3 LYS 48 HZ3 LYS 48 -15.572 15.358 -16.728 390 H ASN 49 H ASN 49 -21.250 16.128 -11.128 391 HA ASN 49 HA ASN 49 -21.550 16.351 -8.881 392 HB2 ASN 49 HB2 ASN 49 -20.660 13.466 -9.024 393 HB3 ASN 49 HB3 ASN 49 -21.325 14.214 -7.573 394 HD21 ASN 49 HD21 ASN 49 -23.473 15.306 -7.910 395 HD22 ASN 49 HD22 ASN 49 -24.624 14.470 -8.892 396 H GLY 50 H GLY 50 -18.939 17.094 -9.954 397 HA2 GLY 50 HA2 GLY 50 -16.891 17.789 -9.185 398 HA3 GLY 50 HA3 GLY 50 -17.600 17.699 -7.579 399 H ASN 51 H ASN 51 -17.571 14.801 -9.422 400 HA ASN 51 HA ASN 51 -15.555 13.699 -7.609 401 HB2 ASN 51 HB2 ASN 51 -17.533 12.395 -7.602 402 HB3 ASN 51 HB3 ASN 51 -17.664 12.441 -9.358 403 HD21 ASN 51 HD21 ASN 51 -14.897 11.724 -7.277 404 HD22 ASN 51 HD22 ASN 51 -14.628 10.131 -7.889 405 H LEU 52 H LEU 52 -13.710 14.572 -8.637 406 HA LEU 52 HA LEU 52 -13.140 14.148 -11.391 407 HB2 LEU 52 HB2 LEU 52 -10.835 14.817 -10.764 408 HB3 LEU 52 HB3 LEU 52 -12.078 15.957 -10.256 409 HG LEU 52 HG LEU 52 -11.882 14.618 -7.985 410 HD11 LEU 52 HD11 LEU 52 -10.124 13.287 -7.728 411 HD12 LEU 52 HD12 LEU 52 -9.029 14.490 -8.407 412 HD13 LEU 52 HD13 LEU 52 -9.889 13.381 -9.474 413 HD21 LEU 52 HD21 LEU 52 -11.116 17.071 -8.868 414 HD22 LEU 52 HD22 LEU 52 -9.579 16.405 -8.316 415 HD23 LEU 52 HD23 LEU 52 -10.948 16.503 -7.206 416 H GLY 53 H GLY 53 -13.163 12.064 -8.759 417 HA2 GLY 53 HA2 GLY 53 -12.632 9.821 -8.645 418 HA3 GLY 53 HA3 GLY 53 -12.069 9.919 -10.306 419 H TYR 54 H TYR 54 -10.093 9.047 -10.300 420 HA TYR 54 HA TYR 54 -8.278 9.474 -8.087 421 HB2 TYR 54 HB2 TYR 54 -8.411 7.695 -10.436 422 HB3 TYR 54 HB3 TYR 54 -6.787 8.187 -9.968 423 HD1 TYR 54 HD1 TYR 54 -9.728 7.535 -7.782 424 HD2 TYR 54 HD2 TYR 54 -5.873 6.246 -9.040 425 HE1 TYR 54 HE1 TYR 54 -9.728 5.827 -6.013 426 HE2 TYR 54 HE2 TYR 54 -5.862 4.534 -7.274 427 HH TYR 54 HH TYR 54 -7.423 3.304 -5.893 428 H PHE 55 H PHE 55 -6.531 10.782 -8.047 429 HA PHE 55 HA PHE 55 -5.730 12.159 -10.504 430 HB2 PHE 55 HB2 PHE 55 -6.031 14.300 -9.690 431 HB3 PHE 55 HB3 PHE 55 -7.407 13.478 -8.961 432 HD1 PHE 55 HD2 PHE 55 -6.439 12.152 -6.665 433 HD2 PHE 55 HD1 PHE 55 -5.181 15.886 -8.277 434 HE1 PHE 55 HE2 PHE 55 -5.677 12.855 -4.434 435 HE2 PHE 55 HE1 PHE 55 -4.416 16.594 -6.049 436 HZ PHE 55 HZ PHE 55 -4.663 15.078 -4.123 437 H THR 56 H THR 56 -3.748 13.663 -9.872 438 HA THR 56 HA THR 56 -2.035 12.382 -7.888 439 HB THR 56 HB THR 56 -0.226 11.942 -9.380 440 HG1 THR 56 HG1 THR 56 -0.399 13.630 -10.840 441 HG21 THR 56 HG21 THR 56 -2.809 10.954 -10.595 442 HG22 THR 56 HG22 THR 56 -1.883 10.173 -9.311 443 HG23 THR 56 HG23 THR 56 -1.211 10.292 -10.938 444 H LYS 57 H LYS 57 0.269 13.551 -8.112 445 HA LYS 57 HA LYS 57 -0.275 16.320 -7.566 446 HB2 LYS 57 HB2 LYS 57 2.388 14.895 -7.697 447 HB3 LYS 57 HB3 LYS 57 2.076 16.461 -6.959 448 HG2 LYS 57 HG2 LYS 57 0.342 15.028 -5.555 449 HG3 LYS 57 HG3 LYS 57 1.473 13.736 -5.966 450 HD2 LYS 57 HD2 LYS 57 3.234 15.577 -5.191 451 HD3 LYS 57 HD3 LYS 57 1.848 16.125 -4.244 452 HE2 LYS 57 HE2 LYS 57 3.185 14.581 -2.942 453 HE3 LYS 57 HE3 LYS 57 1.618 13.860 -3.310 454 HZ1 LYS 57 HZ1 LYS 57 2.545 12.292 -4.618 455 HZ2 LYS 57 HZ2 LYS 57 3.907 12.586 -3.659 456 HZ3 LYS 57 HZ3 LYS 57 3.776 13.306 -5.184 457 H GLY 58 H GLY 58 -0.535 17.730 -9.170 458 HA2 GLY 58 HA2 GLY 58 0.785 19.065 -10.786 459 HA3 GLY 58 HA3 GLY 58 1.294 17.534 -11.485 460 H MET 59 H MET 59 -1.936 17.482 -10.494 461 HA MET 59 HA MET 59 -2.819 17.989 -13.259 462 HB2 MET 59 HB2 MET 59 -4.017 16.098 -11.226 463 HB3 MET 59 HB3 MET 59 -4.617 16.364 -12.858 464 HG2 MET 59 HG2 MET 59 -1.837 15.381 -12.313 465 HG3 MET 59 HG3 MET 59 -3.215 14.293 -12.461 466 HE1 MET 59 HE1 MET 59 -1.723 13.539 -15.889 467 HE2 MET 59 HE2 MET 59 -1.188 13.425 -14.212 468 HE3 MET 59 HE3 MET 59 -2.816 12.908 -14.657 469 H MET 60 H MET 60 -2.810 19.357 -10.319 470 HA MET 60 HA MET 60 -5.325 20.769 -10.844 471 HB2 MET 60 HB2 MET 60 -4.476 19.861 -8.090 472 HB3 MET 60 HB3 MET 60 -5.948 20.729 -8.504 473 HG2 MET 60 HG2 MET 60 -5.367 18.056 -9.707 474 HG3 MET 60 HG3 MET 60 -6.052 18.189 -8.090 475 HE1 MET 60 HE1 MET 60 -8.781 16.883 -10.266 476 HE2 MET 60 HE2 MET 60 -7.796 17.422 -11.628 477 HE3 MET 60 HE3 MET 60 -7.035 16.625 -10.250 478 H VAL 61 H VAL 61 -5.310 22.540 -8.774 479 HA VAL 61 HA VAL 61 -2.973 24.167 -9.427 480 HB VAL 61 HB VAL 61 -4.190 26.049 -8.545 481 HG11 VAL 61 HG11 VAL 61 -6.409 24.748 -9.986 482 HG12 VAL 61 HG12 VAL 61 -5.576 26.269 -10.314 483 HG13 VAL 61 HG13 VAL 61 -4.847 24.738 -10.804 484 HG21 VAL 61 HG21 VAL 61 -6.333 24.085 -7.735 485 HG22 VAL 61 HG22 VAL 61 -5.227 24.906 -6.634 486 HG23 VAL 61 HG23 VAL 61 -6.404 25.839 -7.558 487 H LYS 62 H LYS 62 -2.087 25.551 -7.634 488 HA LYS 62 HA LYS 62 -0.945 23.981 -5.644 489 HB2 LYS 62 HB2 LYS 62 0.273 25.889 -5.948 490 HB3 LYS 62 HB3 LYS 62 -1.153 26.892 -6.180 491 HG2 LYS 62 HG2 LYS 62 -1.527 27.065 -3.853 492 HG3 LYS 62 HG3 LYS 62 -0.356 25.791 -3.500 493 HD2 LYS 62 HD2 LYS 62 1.352 27.360 -4.631 494 HD3 LYS 62 HD3 LYS 62 0.133 28.613 -4.392 495 HE2 LYS 62 HE2 LYS 62 1.123 26.853 -2.162 496 HE3 LYS 62 HE3 LYS 62 1.893 28.381 -2.581 497 HZ1 LYS 62 HZ1 LYS 62 -0.658 27.886 -1.276 498 HZ2 LYS 62 HZ2 LYS 62 -0.627 29.167 -2.379 499 HZ3 LYS 62 HZ3 LYS 62 0.438 29.157 -1.065 500 HA PRO 63 HA PRO 63 -4.093 25.837 -2.485 501 HB2 PRO 63 HB2 PRO 63 -6.193 27.233 -3.490 502 HB3 PRO 63 HB3 PRO 63 -4.654 27.989 -3.062 503 HG2 PRO 63 HG2 PRO 63 -5.669 27.143 -5.749 504 HG3 PRO 63 HG3 PRO 63 -4.816 28.629 -5.292 505 HD2 PRO 63 HD2 PRO 63 -3.570 26.543 -6.488 506 HD3 PRO 63 HD3 PRO 63 -2.752 27.603 -5.322 507 H PHE 64 H PHE 64 -4.169 23.409 -3.884 508 HA PHE 64 HA PHE 64 -6.778 22.491 -3.196 509 HB2 PHE 64 HB2 PHE 64 -7.369 23.415 -5.362 510 HB3 PHE 64 HB3 PHE 64 -6.032 22.562 -6.126 511 HD1 PHE 64 HD2 PHE 64 -6.098 20.082 -6.296 512 HD2 PHE 64 HD1 PHE 64 -9.442 22.361 -4.976 513 HE1 PHE 64 HE2 PHE 64 -7.575 18.164 -6.740 514 HE2 PHE 64 HE1 PHE 64 -10.924 20.447 -5.417 515 HZ PHE 64 HZ PHE 64 -9.991 18.345 -6.301 516 H GLU 65 H GLU 65 -4.183 21.577 -5.472 517 HA GLU 65 HA GLU 65 -4.230 18.851 -5.037 518 HB2 GLU 65 HB2 GLU 65 -2.926 19.748 -6.834 519 HB3 GLU 65 HB3 GLU 65 -1.922 20.670 -5.723 520 HG2 GLU 65 HG2 GLU 65 -1.046 18.563 -4.805 521 HG3 GLU 65 HG3 GLU 65 -2.006 17.672 -5.985 522 H ASP 66 H ASP 66 -2.188 21.259 -3.390 523 HA ASP 66 HA ASP 66 -0.836 19.569 -1.668 524 HB2 ASP 66 HB2 ASP 66 -0.581 22.117 -2.042 525 HB3 ASP 66 HB3 ASP 66 -1.794 22.277 -0.774 526 H ALA 67 H ALA 67 -4.063 20.950 -1.358 527 HA ALA 67 HA ALA 67 -4.438 19.438 1.139 528 HB1 ALA 67 HB1 ALA 67 -4.825 21.889 1.233 529 HB2 ALA 67 HB2 ALA 67 -6.143 21.686 0.077 530 HB3 ALA 67 HB3 ALA 67 -6.241 20.931 1.669 531 H ALA 68 H ALA 68 -4.485 18.060 -1.310 532 HA ALA 68 HA ALA 68 -7.348 17.396 -1.555 533 HB1 ALA 68 HB1 ALA 68 -6.848 18.169 -3.665 534 HB2 ALA 68 HB2 ALA 68 -5.193 17.558 -3.615 535 HB3 ALA 68 HB3 ALA 68 -6.539 16.442 -3.843 536 H PHE 69 H PHE 69 -4.068 16.188 -1.273 537 HA PHE 69 HA PHE 69 -5.121 13.458 -0.955 538 HB2 PHE 69 HB2 PHE 69 -2.646 12.830 -1.242 539 HB3 PHE 69 HB3 PHE 69 -3.508 13.399 -2.668 540 HD1 PHE 69 HD2 PHE 69 -1.563 14.866 0.163 541 HD2 PHE 69 HD1 PHE 69 -2.374 14.855 -4.015 542 HE1 PHE 69 HE2 PHE 69 0.146 16.606 -0.170 543 HE2 PHE 69 HE1 PHE 69 -0.667 16.593 -4.355 544 HZ PHE 69 HZ PHE 69 0.596 17.472 -2.430 545 H LYS 70 H LYS 70 -4.278 16.047 0.842 546 HA LYS 70 HA LYS 70 -2.847 14.599 2.926 547 HB2 LYS 70 HB2 LYS 70 -2.387 16.667 3.901 548 HB3 LYS 70 HB3 LYS 70 -2.373 17.026 2.179 549 HG2 LYS 70 HG2 LYS 70 -4.663 17.881 2.348 550 HG3 LYS 70 HG3 LYS 70 -4.651 17.545 4.080 551 HD2 LYS 70 HD2 LYS 70 -2.684 19.070 4.287 552 HD3 LYS 70 HD3 LYS 70 -2.896 19.492 2.586 553 HE2 LYS 70 HE2 LYS 70 -4.199 21.138 3.379 554 HE3 LYS 70 HE3 LYS 70 -5.411 19.868 3.552 555 HZ1 LYS 70 HZ1 LYS 70 -4.905 21.358 5.555 556 HZ2 LYS 70 HZ2 LYS 70 -3.500 20.434 5.728 557 HZ3 LYS 70 HZ3 LYS 70 -5.016 19.690 5.814 558 H LEU 71 H LEU 71 -5.843 14.389 2.072 559 HA LEU 71 HA LEU 71 -7.078 14.906 4.675 560 HB2 LEU 71 HB2 LEU 71 -8.532 13.852 2.283 561 HB3 LEU 71 HB3 LEU 71 -9.150 14.812 3.626 562 HG LEU 71 HG LEU 71 -7.288 15.890 1.516 563 HD11 LEU 71 HD11 LEU 71 -9.358 15.204 0.459 564 HD12 LEU 71 HD12 LEU 71 -9.279 16.963 0.560 565 HD13 LEU 71 HD13 LEU 71 -10.293 16.061 1.685 566 HD21 LEU 71 HD21 LEU 71 -9.107 17.411 3.357 567 HD22 LEU 71 HD22 LEU 71 -7.745 18.010 2.411 568 HD23 LEU 71 HD23 LEU 71 -7.460 16.981 3.816 569 H GLN 72 H GLN 72 -9.016 13.073 4.873 570 HA GLN 72 HA GLN 72 -7.539 10.531 5.049 571 HB2 GLN 72 HB2 GLN 72 -9.394 11.922 6.885 572 HB3 GLN 72 HB3 GLN 72 -9.604 10.181 6.761 573 HG2 GLN 72 HG2 GLN 72 -6.913 10.369 7.044 574 HG3 GLN 72 HG3 GLN 72 -7.463 11.740 8.005 575 HE21 GLN 72 HE21 GLN 72 -8.269 8.328 7.456 576 HE22 GLN 72 HE22 GLN 72 -8.557 7.951 9.116 577 H VAL 73 H VAL 73 -8.851 8.557 4.868 578 HA VAL 73 HA VAL 73 -10.293 8.460 2.484 579 HB VAL 73 HB VAL 73 -10.411 6.501 4.781 580 HG11 VAL 73 HG11 VAL 73 -11.968 5.469 3.573 581 HG12 VAL 73 HG12 VAL 73 -11.746 6.581 2.221 582 HG13 VAL 73 HG13 VAL 73 -10.720 5.154 2.367 583 HG21 VAL 73 HG21 VAL 73 -8.397 5.749 4.189 584 HG22 VAL 73 HG22 VAL 73 -8.816 5.753 2.477 585 HG23 VAL 73 HG23 VAL 73 -8.225 7.227 3.243 586 H GLY 74 H GLY 74 -12.024 9.816 2.309 587 HA2 GLY 74 HA2 GLY 74 -14.372 10.022 2.383 588 HA3 GLY 74 HA3 GLY 74 -14.388 9.062 3.856 589 H GLU 75 H GLU 75 -12.038 11.525 3.816 590 HA GLU 75 HA GLU 75 -13.670 13.092 5.683 591 HB2 GLU 75 HB2 GLU 75 -11.149 12.123 5.992 592 HB3 GLU 75 HB3 GLU 75 -10.807 13.739 5.390 593 HG2 GLU 75 HG2 GLU 75 -10.825 13.708 7.809 594 HG3 GLU 75 HG3 GLU 75 -12.144 14.700 7.189 595 H VAL 76 H VAL 76 -14.070 15.242 5.392 596 HA VAL 76 HA VAL 76 -13.592 16.279 2.708 597 HB VAL 76 HB VAL 76 -15.275 17.422 4.943 598 HG11 VAL 76 HG11 VAL 76 -16.228 18.866 3.240 599 HG12 VAL 76 HG12 VAL 76 -14.482 19.106 3.334 600 HG13 VAL 76 HG13 VAL 76 -15.173 18.156 2.018 601 HG21 VAL 76 HG21 VAL 76 -16.893 16.017 4.358 602 HG22 VAL 76 HG22 VAL 76 -16.753 16.493 2.666 603 HG23 VAL 76 HG23 VAL 76 -15.747 15.191 3.302 604 H SER 77 H SER 77 -12.325 17.992 2.236 605 HA SER 77 HA SER 77 -10.423 18.850 4.208 606 HB2 SER 77 HB2 SER 77 -10.057 18.492 1.660 607 HB3 SER 77 HB3 SER 77 -10.724 20.116 1.498 608 HG SER 77 HG SER 77 -8.690 19.697 3.369 609 H GLU 78 H GLU 78 -9.961 21.492 3.564 610 HA GLU 78 HA GLU 78 -12.300 22.777 4.786 611 HB2 GLU 78 HB2 GLU 78 -10.503 24.665 5.102 612 HB3 GLU 78 HB3 GLU 78 -10.532 23.272 6.174 613 HG2 GLU 78 HG2 GLU 78 -8.752 22.225 4.891 614 HG3 GLU 78 HG3 GLU 78 -8.737 23.592 3.779 615 HA PRO 79 HA PRO 79 -13.205 25.272 1.295 616 HB2 PRO 79 HB2 PRO 79 -13.763 27.683 2.410 617 HB3 PRO 79 HB3 PRO 79 -14.837 26.287 2.554 618 HG2 PRO 79 HG2 PRO 79 -12.843 27.353 4.516 619 HG3 PRO 79 HG3 PRO 79 -14.492 26.766 4.803 620 HD2 PRO 79 HD2 PRO 79 -12.300 25.253 5.292 621 HD3 PRO 79 HD3 PRO 79 -13.845 24.554 4.765 622 H ILE 80 H ILE 80 -10.973 25.158 0.493 623 HA ILE 80 HA ILE 80 -9.114 27.239 1.135 624 HB ILE 80 HB ILE 80 -9.059 25.424 -1.275 625 HG12 ILE 80 HG12 ILE 80 -9.270 24.146 0.847 626 HG13 ILE 80 HG13 ILE 80 -7.727 23.883 0.043 627 HG21 ILE 80 HG21 ILE 80 -6.540 25.784 -0.878 628 HG22 ILE 80 HG22 ILE 80 -7.469 27.088 -1.616 629 HG23 ILE 80 HG23 ILE 80 -7.044 27.166 0.095 630 HD11 ILE 80 HD11 ILE 80 -6.690 25.499 1.585 631 HD12 ILE 80 HD12 ILE 80 -8.234 25.647 2.424 632 HD13 ILE 80 HD13 ILE 80 -7.385 24.102 2.408 633 H LYS 81 H LYS 81 -9.479 29.278 0.565 634 HA LYS 81 HA LYS 81 -11.125 29.995 -1.667 635 HB2 LYS 81 HB2 LYS 81 -10.903 31.307 0.483 636 HB3 LYS 81 HB3 LYS 81 -9.312 31.810 -0.075 637 HG2 LYS 81 HG2 LYS 81 -10.316 33.528 -1.050 638 HG3 LYS 81 HG3 LYS 81 -10.990 32.377 -2.207 639 HD2 LYS 81 HD2 LYS 81 -12.969 32.110 -0.845 640 HD3 LYS 81 HD3 LYS 81 -12.282 33.143 0.411 641 HE2 LYS 81 HE2 LYS 81 -12.808 35.033 -0.688 642 HE3 LYS 81 HE3 LYS 81 -12.367 34.360 -2.256 643 HZ1 LYS 81 HZ1 LYS 81 -14.947 34.435 -0.934 644 HZ2 LYS 81 HZ2 LYS 81 -14.583 32.983 -1.723 645 HZ3 LYS 81 HZ3 LYS 81 -14.574 34.439 -2.584 646 H SER 82 H SER 82 -10.466 29.924 -3.703 647 HA SER 82 HA SER 82 -7.727 30.798 -4.328 648 HB2 SER 82 HB2 SER 82 -8.936 28.657 -6.011 649 HB3 SER 82 HB3 SER 82 -7.245 28.954 -5.610 650 HG SER 82 HG SER 82 -8.958 28.211 -3.538 651 H GLU 83 H GLU 83 -7.747 30.698 -7.020 652 HA GLU 83 HA GLU 83 -9.130 33.002 -7.768 653 HB2 GLU 83 HB2 GLU 83 -8.530 32.386 -10.090 654 HB3 GLU 83 HB3 GLU 83 -7.171 32.269 -8.980 655 HG2 GLU 83 HG2 GLU 83 -7.929 29.762 -8.823 656 HG3 GLU 83 HG3 GLU 83 -8.663 30.118 -10.385 657 H PHE 84 H PHE 84 -10.155 29.712 -7.648 658 HA PHE 84 HA PHE 84 -12.517 30.268 -9.284 659 HB2 PHE 84 HB2 PHE 84 -11.733 27.636 -8.028 660 HB3 PHE 84 HB3 PHE 84 -12.893 27.901 -9.326 661 HD1 PHE 84 HD1 PHE 84 -11.698 29.379 -11.331 662 HD2 PHE 84 HD2 PHE 84 -9.812 26.607 -8.708 663 HE1 PHE 84 HE1 PHE 84 -9.921 29.021 -12.993 664 HE2 PHE 84 HE2 PHE 84 -8.030 26.246 -10.366 665 HZ PHE 84 HZ PHE 84 -8.083 27.452 -12.513 666 H GLY 85 H GLY 85 -11.517 29.946 -6.009 667 HA2 GLY 85 HA2 GLY 85 -13.173 31.004 -4.450 668 HA3 GLY 85 HA3 GLY 85 -14.345 29.897 -5.151 669 H TYR 86 H TYR 86 -14.781 29.058 -3.064 670 HA TYR 86 HA TYR 86 -12.705 27.840 -1.506 671 HB2 TYR 86 HB2 TYR 86 -15.718 27.675 -1.310 672 HB3 TYR 86 HB3 TYR 86 -14.608 26.970 -0.139 673 HD1 TYR 86 HD2 TYR 86 -12.682 28.838 0.549 674 HD2 TYR 86 HD1 TYR 86 -16.706 29.622 -0.592 675 HE1 TYR 86 HE2 TYR 86 -12.605 30.972 1.768 676 HE2 TYR 86 HE1 TYR 86 -16.639 31.759 0.622 677 HH TYR 86 HH TYR 86 -14.095 32.573 2.772 678 H HIS 87 H HIS 87 -11.828 25.915 -1.825 679 HA HIS 87 HA HIS 87 -13.188 24.011 -3.592 680 HB2 HIS 87 HB2 HIS 87 -10.314 24.292 -2.722 681 HB3 HIS 87 HB3 HIS 87 -10.907 22.872 -3.578 682 HD1 HIS 87 HD1 HIS 87 -11.308 23.089 -6.081 683 HD2 HIS 87 HD2 HIS 87 -10.239 26.672 -4.269 684 HE1 HIS 87 HE1 HIS 87 -10.832 24.681 -7.968 685 H ILE 88 H ILE 88 -14.178 22.301 -2.763 686 HA ILE 88 HA ILE 88 -13.484 21.469 -0.025 687 HB ILE 88 HB ILE 88 -16.063 20.987 -1.521 688 HG12 ILE 88 HG12 ILE 88 -15.818 23.345 -0.974 689 HG13 ILE 88 HG13 ILE 88 -17.023 22.617 0.081 690 HG21 ILE 88 HG21 ILE 88 -14.938 19.766 0.799 691 HG22 ILE 88 HG22 ILE 88 -16.362 20.693 1.268 692 HG23 ILE 88 HG23 ILE 88 -16.488 19.451 0.021 693 HD11 ILE 88 HD11 ILE 88 -15.857 23.817 1.609 694 HD12 ILE 88 HD12 ILE 88 -14.923 22.321 1.659 695 HD13 ILE 88 HD13 ILE 88 -14.341 23.694 0.716 696 H ILE 89 H ILE 89 -11.750 20.139 -0.771 697 HA ILE 89 HA ILE 89 -12.284 17.963 -2.580 698 HB ILE 89 HB ILE 89 -9.875 18.261 -0.794 699 HG12 ILE 89 HG12 ILE 89 -9.217 19.148 -3.368 700 HG13 ILE 89 HG13 ILE 89 -10.749 19.930 -2.995 701 HG21 ILE 89 HG21 ILE 89 -10.673 16.280 -2.600 702 HG22 ILE 89 HG22 ILE 89 -9.410 17.195 -3.422 703 HG23 ILE 89 HG23 ILE 89 -9.089 16.470 -1.848 704 HD11 ILE 89 HD11 ILE 89 -9.413 21.475 -2.070 705 HD12 ILE 89 HD12 ILE 89 -9.422 20.366 -0.698 706 HD13 ILE 89 HD13 ILE 89 -8.080 20.343 -1.842 707 H LYS 90 H LYS 90 -12.811 15.913 -2.100 708 HA LYS 90 HA LYS 90 -12.674 15.029 0.694 709 HB2 LYS 90 HB2 LYS 90 -14.965 15.774 0.340 710 HB3 LYS 90 HB3 LYS 90 -15.091 14.783 -1.106 711 HG2 LYS 90 HG2 LYS 90 -14.636 12.793 0.413 712 HG3 LYS 90 HG3 LYS 90 -14.943 13.896 1.755 713 HD2 LYS 90 HD2 LYS 90 -17.172 14.264 1.073 714 HD3 LYS 90 HD3 LYS 90 -16.887 13.547 -0.515 715 HE2 LYS 90 HE2 LYS 90 -16.674 11.361 0.446 716 HE3 LYS 90 HE3 LYS 90 -16.716 12.021 2.080 717 HZ1 LYS 90 HZ1 LYS 90 -18.857 11.243 1.736 718 HZ2 LYS 90 HZ2 LYS 90 -18.921 11.780 0.133 719 HZ3 LYS 90 HZ3 LYS 90 -19.007 12.894 1.402 720 H ARG 91 H ARG 91 -11.685 13.131 0.859 721 HA ARG 91 HA ARG 91 -10.990 11.629 -1.482 722 HB2 ARG 91 HB2 ARG 91 -9.558 11.944 0.603 723 HB3 ARG 91 HB3 ARG 91 -10.602 10.761 1.379 724 HG2 ARG 91 HG2 ARG 91 -9.924 9.050 -0.111 725 HG3 ARG 91 HG3 ARG 91 -9.111 10.205 -1.168 726 HD2 ARG 91 HD2 ARG 91 -7.281 10.334 0.157 727 HD3 ARG 91 HD3 ARG 91 -8.214 10.157 1.642 728 HE ARG 91 HE ARG 91 -8.358 7.699 0.508 729 HH11 ARG 91 HH11 ARG 91 -5.726 9.831 1.317 730 HH12 ARG 91 HH12 ARG 91 -4.603 8.545 1.609 731 HH21 ARG 91 HH21 ARG 91 -6.888 5.998 0.888 732 HH22 ARG 91 HH22 ARG 91 -5.264 6.365 1.363 733 H PHE 92 H PHE 92 -11.625 9.549 -2.042 734 HA PHE 92 HA PHE 92 -13.967 8.480 -0.615 735 HB2 PHE 92 HB2 PHE 92 -13.602 8.953 -3.559 736 HB3 PHE 92 HB3 PHE 92 -14.688 7.692 -2.984 737 HD1 PHE 92 HD1 PHE 92 -13.984 11.325 -2.684 738 HD2 PHE 92 HD2 PHE 92 -16.867 8.210 -2.372 739 HE1 PHE 92 HE1 PHE 92 -15.758 13.003 -2.380 740 HE2 PHE 92 HE2 PHE 92 -18.646 9.882 -2.067 741 HZ PHE 92 HZ PHE 92 -18.093 12.281 -2.071 742 H GLY 93 H GLY 93 -11.099 7.872 -2.530 743 HA2 GLY 93 HA2 GLY 93 -9.871 5.966 -2.901 744 HA3 GLY 93 HA3 GLY 93 -10.390 5.513 -1.284 Start of MODEL 19 1 H1 GLY 1 H GLY 1 7.445 5.507 -14.731 2 HA2 GLY 1 HA2 GLY 1 9.093 5.718 -12.938 3 HA3 GLY 1 HA3 GLY 1 8.655 7.417 -12.830 4 HA PRO 2 HA PRO 2 6.316 4.921 -9.630 5 HB2 PRO 2 HB2 PRO 2 7.192 6.332 -7.482 6 HB3 PRO 2 HB3 PRO 2 8.051 4.927 -8.125 7 HG2 PRO 2 HG2 PRO 2 8.591 7.839 -8.559 8 HG3 PRO 2 HG3 PRO 2 9.738 6.524 -8.245 9 HD2 PRO 2 HD2 PRO 2 9.297 7.509 -10.727 10 HD3 PRO 2 HD3 PRO 2 9.712 5.808 -10.436 11 H SER 3 H SER 3 4.407 5.838 -10.471 12 HA SER 3 HA SER 3 3.740 8.534 -9.503 13 HB2 SER 3 HB2 SER 3 1.744 8.084 -11.197 14 HB3 SER 3 HB3 SER 3 3.316 8.647 -11.764 15 HG SER 3 HG SER 3 3.282 6.917 -12.948 16 H ASN 4 H ASN 4 1.941 8.896 -8.264 17 HA ASN 4 HA ASN 4 0.433 6.517 -7.401 18 HB2 ASN 4 HB2 ASN 4 1.609 8.748 -5.760 19 HB3 ASN 4 HB3 ASN 4 0.236 7.817 -5.169 20 HD21 ASN 4 HD21 ASN 4 0.501 5.568 -4.822 21 HD22 ASN 4 HD22 ASN 4 2.067 4.900 -4.524 22 H LYS 5 H LYS 5 -1.740 6.918 -6.665 23 HA LYS 5 HA LYS 5 -2.921 9.503 -7.227 24 HB2 LYS 5 HB2 LYS 5 -4.706 8.052 -8.623 25 HB3 LYS 5 HB3 LYS 5 -3.357 8.899 -9.369 26 HG2 LYS 5 HG2 LYS 5 -3.583 6.618 -10.211 27 HG3 LYS 5 HG3 LYS 5 -2.046 6.858 -9.376 28 HD2 LYS 5 HD2 LYS 5 -2.546 5.354 -7.788 29 HD3 LYS 5 HD3 LYS 5 -4.207 5.931 -7.636 30 HE2 LYS 5 HE2 LYS 5 -4.187 3.637 -8.417 31 HE3 LYS 5 HE3 LYS 5 -4.800 4.701 -9.680 32 HZ1 LYS 5 HZ1 LYS 5 -2.972 2.873 -10.146 33 HZ2 LYS 5 HZ2 LYS 5 -1.938 4.129 -9.685 34 HZ3 LYS 5 HZ3 LYS 5 -3.001 4.341 -10.984 35 H ILE 6 H ILE 6 -5.170 9.633 -6.543 36 HA ILE 6 HA ILE 6 -6.215 7.435 -4.964 37 HB ILE 6 HB ILE 6 -6.500 8.804 -2.932 38 HG12 ILE 6 HG12 ILE 6 -4.426 10.727 -3.867 39 HG13 ILE 6 HG13 ILE 6 -6.074 10.964 -4.441 40 HG21 ILE 6 HG21 ILE 6 -4.590 7.234 -3.232 41 HG22 ILE 6 HG22 ILE 6 -3.604 8.605 -3.735 42 HG23 ILE 6 HG23 ILE 6 -4.268 8.549 -2.103 43 HD11 ILE 6 HD11 ILE 6 -5.432 12.239 -2.379 44 HD12 ILE 6 HD12 ILE 6 -6.890 11.255 -2.244 45 HD13 ILE 6 HD13 ILE 6 -5.377 10.693 -1.533 46 H LYS 7 H LYS 7 -8.419 7.704 -4.370 47 HA LYS 7 HA LYS 7 -9.916 9.257 -6.257 48 HB2 LYS 7 HB2 LYS 7 -10.385 6.990 -4.651 49 HB3 LYS 7 HB3 LYS 7 -11.541 8.205 -4.124 50 HG2 LYS 7 HG2 LYS 7 -11.919 8.468 -6.722 51 HG3 LYS 7 HG3 LYS 7 -11.302 6.814 -6.735 52 HD2 LYS 7 HD2 LYS 7 -13.329 6.102 -6.166 53 HD3 LYS 7 HD3 LYS 7 -13.158 6.949 -4.627 54 HE2 LYS 7 HE2 LYS 7 -14.108 8.959 -5.601 55 HE3 LYS 7 HE3 LYS 7 -14.208 8.175 -7.177 56 HZ1 LYS 7 HZ1 LYS 7 -15.941 6.847 -6.508 57 HZ2 LYS 7 HZ2 LYS 7 -16.283 8.272 -5.663 58 HZ3 LYS 7 HZ3 LYS 7 -15.563 6.967 -4.863 59 H CYS 8 H CYS 8 -11.233 11.019 -5.891 60 HA CYS 8 HA CYS 8 -11.845 12.107 -3.377 61 HB2 CYS 8 HB2 CYS 8 -10.374 14.099 -3.406 62 HB3 CYS 8 HB3 CYS 8 -9.472 12.601 -3.209 63 HG CYS 8 HG CYS 8 -9.464 14.783 -5.784 64 H SER 9 H SER 9 -12.914 14.202 -3.530 65 HA SER 9 HA SER 9 -13.850 14.759 -6.270 66 HB2 SER 9 HB2 SER 9 -15.438 15.123 -3.720 67 HB3 SER 9 HB3 SER 9 -16.027 15.306 -5.372 68 HG SER 9 HG SER 9 -16.301 13.228 -5.476 69 H HIS 10 H HIS 10 -15.284 17.049 -5.792 70 HA HIS 10 HA HIS 10 -13.884 18.989 -4.274 71 HB2 HIS 10 HB2 HIS 10 -12.936 20.299 -6.141 72 HB3 HIS 10 HB3 HIS 10 -12.176 18.718 -5.990 73 HD1 HIS 10 HD1 HIS 10 -13.661 20.907 -8.425 74 HD2 HIS 10 HD2 HIS 10 -13.339 16.793 -7.946 75 HE1 HIS 10 HE1 HIS 10 -14.113 19.928 -10.697 76 H ILE 11 H ILE 11 -14.957 20.957 -4.210 77 HA ILE 11 HA ILE 11 -17.192 21.387 -6.037 78 HB ILE 11 HB ILE 11 -17.513 21.197 -3.042 79 HG12 ILE 11 HG12 ILE 11 -18.962 19.755 -5.271 80 HG13 ILE 11 HG13 ILE 11 -17.611 19.077 -4.369 81 HG21 ILE 11 HG21 ILE 11 -19.408 22.265 -5.126 82 HG22 ILE 11 HG22 ILE 11 -19.875 21.852 -3.476 83 HG23 ILE 11 HG23 ILE 11 -18.708 23.142 -3.766 84 HD11 ILE 11 HD11 ILE 11 -19.720 18.242 -3.529 85 HD12 ILE 11 HD12 ILE 11 -18.920 19.235 -2.310 86 HD13 ILE 11 HD13 ILE 11 -20.275 19.890 -3.231 87 H LEU 12 H LEU 12 -17.152 23.426 -6.693 88 HA LEU 12 HA LEU 12 -15.739 25.413 -5.065 89 HB2 LEU 12 HB2 LEU 12 -16.292 25.086 -7.963 90 HB3 LEU 12 HB3 LEU 12 -16.155 26.727 -7.337 91 HG LEU 12 HG LEU 12 -14.044 25.997 -8.269 92 HD11 LEU 12 HD11 LEU 12 -13.009 25.856 -5.649 93 HD12 LEU 12 HD12 LEU 12 -14.433 26.895 -5.592 94 HD13 LEU 12 HD13 LEU 12 -13.118 27.263 -6.707 95 HD21 LEU 12 HD21 LEU 12 -14.692 23.511 -7.464 96 HD22 LEU 12 HD22 LEU 12 -13.562 23.965 -6.188 97 HD23 LEU 12 HD23 LEU 12 -13.052 24.010 -7.876 98 H VAL 13 H VAL 13 -16.696 27.257 -4.336 99 HA VAL 13 HA VAL 13 -19.485 27.775 -5.076 100 HB VAL 13 HB VAL 13 -20.134 28.135 -2.753 101 HG11 VAL 13 HG11 VAL 13 -20.136 25.795 -2.007 102 HG12 VAL 13 HG12 VAL 13 -20.523 25.940 -3.722 103 HG13 VAL 13 HG13 VAL 13 -18.916 25.415 -3.221 104 HG21 VAL 13 HG21 VAL 13 -18.705 27.588 -0.904 105 HG22 VAL 13 HG22 VAL 13 -17.436 27.020 -1.991 106 HG23 VAL 13 HG23 VAL 13 -17.855 28.733 -1.941 107 H SER 14 H SER 14 -20.109 29.882 -3.592 108 HA SER 14 HA SER 14 -17.984 31.842 -4.170 109 HB2 SER 14 HB2 SER 14 -20.945 31.928 -4.584 110 HB3 SER 14 HB3 SER 14 -20.092 33.433 -4.236 111 HG SER 14 HG SER 14 -20.128 33.134 -6.451 112 H LYS 15 H LYS 15 -19.949 30.452 -1.781 113 HA LYS 15 HA LYS 15 -19.088 32.504 0.140 114 HB2 LYS 15 HB2 LYS 15 -21.224 32.268 1.337 115 HB3 LYS 15 HB3 LYS 15 -21.456 32.873 -0.297 116 HG2 LYS 15 HG2 LYS 15 -21.814 30.326 -0.839 117 HG3 LYS 15 HG3 LYS 15 -22.204 30.249 0.881 118 HD2 LYS 15 HD2 LYS 15 -23.462 32.251 -0.980 119 HD3 LYS 15 HD3 LYS 15 -24.145 30.647 -0.708 120 HE2 LYS 15 HE2 LYS 15 -23.466 32.294 1.668 121 HE3 LYS 15 HE3 LYS 15 -24.880 32.756 0.724 122 HZ1 LYS 15 HZ1 LYS 15 -25.295 31.179 2.608 123 HZ2 LYS 15 HZ2 LYS 15 -24.450 30.004 1.735 124 HZ3 LYS 15 HZ3 LYS 15 -25.873 30.665 1.103 125 H GLN 16 H GLN 16 -18.683 31.761 2.259 126 HA GLN 16 HA GLN 16 -17.556 29.176 2.413 127 HB2 GLN 16 HB2 GLN 16 -18.050 31.394 4.348 128 HB3 GLN 16 HB3 GLN 16 -17.637 29.806 4.982 129 HG2 GLN 16 HG2 GLN 16 -15.708 30.022 3.167 130 HG3 GLN 16 HG3 GLN 16 -15.989 31.736 3.467 131 HE21 GLN 16 HE21 GLN 16 -15.221 32.640 5.285 132 HE22 GLN 16 HE22 GLN 16 -14.381 31.783 6.528 133 H SER 17 H SER 17 -20.688 30.462 3.255 134 HA SER 17 HA SER 17 -21.566 28.401 4.955 135 HB2 SER 17 HB2 SER 17 -22.835 30.416 4.912 136 HB3 SER 17 HB3 SER 17 -23.057 30.324 3.166 137 HG SER 17 HG SER 17 -24.586 28.842 3.416 138 H GLU 18 H GLU 18 -21.043 28.483 1.574 139 HA GLU 18 HA GLU 18 -22.770 26.183 1.075 140 HB2 GLU 18 HB2 GLU 18 -21.178 28.007 -0.711 141 HB3 GLU 18 HB3 GLU 18 -21.867 26.505 -1.310 142 HG2 GLU 18 HG2 GLU 18 -23.541 28.578 0.064 143 HG3 GLU 18 HG3 GLU 18 -23.200 28.641 -1.665 144 H ALA 19 H ALA 19 -19.346 27.088 0.912 145 HA ALA 19 HA ALA 19 -18.421 24.538 0.081 146 HB1 ALA 19 HB1 ALA 19 -16.236 25.580 1.230 147 HB2 ALA 19 HB2 ALA 19 -16.806 26.055 -0.370 148 HB3 ALA 19 HB3 ALA 19 -17.193 27.049 1.034 149 H LEU 20 H LEU 20 -18.708 26.099 3.250 150 HA LEU 20 HA LEU 20 -17.597 23.851 4.653 151 HB2 LEU 20 HB2 LEU 20 -17.731 26.408 5.290 152 HB3 LEU 20 HB3 LEU 20 -19.257 25.911 6.018 153 HG LEU 20 HG LEU 20 -16.824 24.355 6.715 154 HD11 LEU 20 HD11 LEU 20 -16.011 25.915 8.272 155 HD12 LEU 20 HD12 LEU 20 -17.412 26.968 8.075 156 HD13 LEU 20 HD13 LEU 20 -16.228 26.824 6.776 157 HD21 LEU 20 HD21 LEU 20 -19.467 25.028 7.870 158 HD22 LEU 20 HD22 LEU 20 -18.134 24.784 8.999 159 HD23 LEU 20 HD23 LEU 20 -18.580 23.503 7.872 160 H ALA 21 H ALA 21 -20.525 24.378 3.193 161 HA ALA 21 HA ALA 21 -22.219 23.102 5.143 162 HB1 ALA 21 HB1 ALA 21 -23.764 23.044 3.006 163 HB2 ALA 21 HB2 ALA 21 -23.479 24.541 3.895 164 HB3 ALA 21 HB3 ALA 21 -22.585 24.213 2.411 165 H ILE 22 H ILE 22 -20.167 22.104 2.569 166 HA ILE 22 HA ILE 22 -21.447 19.595 2.050 167 HB ILE 22 HB ILE 22 -18.647 20.528 1.406 168 HG12 ILE 22 HG12 ILE 22 -20.192 20.234 -0.919 169 HG13 ILE 22 HG13 ILE 22 -21.240 21.052 0.235 170 HG21 ILE 22 HG21 ILE 22 -18.679 18.656 -0.239 171 HG22 ILE 22 HG22 ILE 22 -18.665 18.135 1.444 172 HG23 ILE 22 HG23 ILE 22 -20.165 18.081 0.518 173 HD11 ILE 22 HD11 ILE 22 -20.074 22.681 -1.074 174 HD12 ILE 22 HD12 ILE 22 -19.461 22.734 0.579 175 HD13 ILE 22 HD13 ILE 22 -18.520 21.944 -0.685 176 H MET 23 H MET 23 -19.261 20.772 4.427 177 HA MET 23 HA MET 23 -18.401 18.081 5.177 178 HB2 MET 23 HB2 MET 23 -16.882 19.193 6.728 179 HB3 MET 23 HB3 MET 23 -16.704 19.855 5.109 180 HG2 MET 23 HG2 MET 23 -17.621 21.875 5.682 181 HG3 MET 23 HG3 MET 23 -18.547 21.198 7.018 182 HE1 MET 23 HE1 MET 23 -15.179 22.616 5.777 183 HE2 MET 23 HE2 MET 23 -14.067 22.264 7.100 184 HE3 MET 23 HE3 MET 23 -14.681 20.953 6.092 185 H GLU 24 H GLU 24 -20.855 20.265 5.885 186 HA GLU 24 HA GLU 24 -21.254 19.145 8.576 187 HB2 GLU 24 HB2 GLU 24 -22.491 21.054 9.147 188 HB3 GLU 24 HB3 GLU 24 -21.149 21.678 8.198 189 HG2 GLU 24 HG2 GLU 24 -22.873 22.839 7.273 190 HG3 GLU 24 HG3 GLU 24 -22.846 21.429 6.215 191 H LYS 25 H LYS 25 -22.667 19.496 5.405 192 HA LYS 25 HA LYS 25 -25.248 18.487 6.133 193 HB2 LYS 25 HB2 LYS 25 -23.871 18.970 3.499 194 HB3 LYS 25 HB3 LYS 25 -25.463 18.228 3.590 195 HG2 LYS 25 HG2 LYS 25 -24.864 20.880 4.860 196 HG3 LYS 25 HG3 LYS 25 -25.367 20.729 3.175 197 HD2 LYS 25 HD2 LYS 25 -26.961 19.423 5.344 198 HD3 LYS 25 HD3 LYS 25 -27.154 21.147 5.015 199 HE2 LYS 25 HE2 LYS 25 -27.962 20.769 2.864 200 HE3 LYS 25 HE3 LYS 25 -27.297 19.137 2.798 201 HZ1 LYS 25 HZ1 LYS 25 -29.421 18.585 3.228 202 HZ2 LYS 25 HZ2 LYS 25 -29.799 20.073 3.938 203 HZ3 LYS 25 HZ3 LYS 25 -28.984 18.892 4.834 204 H LEU 26 H LEU 26 -22.260 17.116 4.912 205 HA LEU 26 HA LEU 26 -23.488 14.483 4.629 206 HB2 LEU 26 HB2 LEU 26 -20.584 15.093 4.218 207 HB3 LEU 26 HB3 LEU 26 -21.558 13.814 3.497 208 HG LEU 26 HG LEU 26 -21.837 16.744 2.838 209 HD11 LEU 26 HD11 LEU 26 -20.708 16.175 0.736 210 HD12 LEU 26 HD12 LEU 26 -20.400 14.551 1.350 211 HD13 LEU 26 HD13 LEU 26 -19.659 15.946 2.136 212 HD21 LEU 26 HD21 LEU 26 -23.274 16.064 1.096 213 HD22 LEU 26 HD22 LEU 26 -23.823 15.202 2.534 214 HD23 LEU 26 HD23 LEU 26 -22.862 14.363 1.315 215 H LYS 27 H LYS 27 -22.983 15.916 7.241 216 HA LYS 27 HA LYS 27 -20.908 14.839 8.701 217 HB2 LYS 27 HB2 LYS 27 -22.744 16.542 9.380 218 HB3 LYS 27 HB3 LYS 27 -23.650 15.125 9.897 219 HG2 LYS 27 HG2 LYS 27 -21.406 14.581 11.170 220 HG3 LYS 27 HG3 LYS 27 -21.187 16.328 11.039 221 HD2 LYS 27 HD2 LYS 27 -22.288 16.050 13.080 222 HD3 LYS 27 HD3 LYS 27 -23.578 16.496 11.962 223 HE2 LYS 27 HE2 LYS 27 -23.905 13.966 11.655 224 HE3 LYS 27 HE3 LYS 27 -22.931 13.802 13.116 225 HZ1 LYS 27 HZ1 LYS 27 -25.230 13.820 13.712 226 HZ2 LYS 27 HZ2 LYS 27 -25.510 15.248 12.852 227 HZ3 LYS 27 HZ3 LYS 27 -24.545 15.274 14.241 228 H SER 28 H SER 28 -23.875 13.329 7.660 229 HA SER 28 HA SER 28 -23.189 10.902 9.171 230 HB2 SER 28 HB2 SER 28 -25.465 11.786 9.536 231 HB3 SER 28 HB3 SER 28 -25.793 11.638 7.810 232 HG SER 28 HG SER 28 -25.779 9.467 7.978 233 H GLY 29 H GLY 29 -23.388 12.251 6.010 234 HA2 GLY 29 HA2 GLY 29 -22.104 11.145 4.262 235 HA3 GLY 29 HA3 GLY 29 -22.694 9.611 4.885 236 H GLU 30 H GLU 30 -24.499 12.588 4.217 237 HA GLU 30 HA GLU 30 -26.690 11.331 3.067 238 HB2 GLU 30 HB2 GLU 30 -25.646 14.118 2.535 239 HB3 GLU 30 HB3 GLU 30 -27.257 13.546 2.126 240 HG2 GLU 30 HG2 GLU 30 -26.395 13.266 4.943 241 HG3 GLU 30 HG3 GLU 30 -26.732 14.892 4.352 242 H LYS 31 H LYS 31 -24.559 13.411 1.135 243 HA LYS 31 HA LYS 31 -23.731 11.507 -0.728 244 HB2 LYS 31 HB2 LYS 31 -26.459 12.092 -1.009 245 HB3 LYS 31 HB3 LYS 31 -25.660 12.990 -2.293 246 HG2 LYS 31 HG2 LYS 31 -24.867 11.077 -3.318 247 HG3 LYS 31 HG3 LYS 31 -25.005 10.110 -1.849 248 HD2 LYS 31 HD2 LYS 31 -26.734 9.447 -3.388 249 HD3 LYS 31 HD3 LYS 31 -27.476 10.291 -2.026 250 HE2 LYS 31 HE2 LYS 31 -28.083 12.083 -3.292 251 HE3 LYS 31 HE3 LYS 31 -26.709 11.915 -4.385 252 HZ1 LYS 31 HZ1 LYS 31 -28.236 11.118 -5.790 253 HZ2 LYS 31 HZ2 LYS 31 -29.358 10.785 -4.570 254 HZ3 LYS 31 HZ3 LYS 31 -28.116 9.685 -4.900 255 H PHE 32 H PHE 32 -21.845 12.610 -0.863 256 HA PHE 32 HA PHE 32 -21.431 15.329 -0.919 257 HB2 PHE 32 HB2 PHE 32 -19.623 13.669 -0.705 258 HB3 PHE 32 HB3 PHE 32 -19.831 13.228 -2.397 259 HD1 PHE 32 HD1 PHE 32 -19.363 14.958 -4.163 260 HD2 PHE 32 HD2 PHE 32 -18.277 15.477 -0.081 261 HE1 PHE 32 HE1 PHE 32 -17.759 16.706 -4.816 262 HE2 PHE 32 HE2 PHE 32 -16.672 17.227 -0.727 263 HZ PHE 32 HZ PHE 32 -16.412 17.844 -3.098 264 H GLY 33 H GLY 33 -22.079 13.163 -3.648 265 HA2 GLY 33 HA2 GLY 33 -21.736 15.046 -5.706 266 HA3 GLY 33 HA3 GLY 33 -22.718 13.591 -5.810 267 H LYS 34 H LYS 34 -24.489 14.358 -3.637 268 HA LYS 34 HA LYS 34 -26.472 15.687 -5.094 269 HB2 LYS 34 HB2 LYS 34 -26.948 14.220 -3.181 270 HB3 LYS 34 HB3 LYS 34 -26.215 15.393 -2.095 271 HG2 LYS 34 HG2 LYS 34 -28.649 15.511 -2.044 272 HG3 LYS 34 HG3 LYS 34 -27.940 17.012 -2.642 273 HD2 LYS 34 HD2 LYS 34 -28.388 16.272 -4.951 274 HD3 LYS 34 HD3 LYS 34 -29.155 14.814 -4.317 275 HE2 LYS 34 HE2 LYS 34 -30.859 16.419 -4.869 276 HE3 LYS 34 HE3 LYS 34 -30.780 16.245 -3.117 277 HZ1 LYS 34 HZ1 LYS 34 -29.649 18.294 -2.920 278 HZ2 LYS 34 HZ2 LYS 34 -30.954 18.579 -3.958 279 HZ3 LYS 34 HZ3 LYS 34 -29.393 18.412 -4.588 280 H LEU 35 H LEU 35 -23.827 16.905 -3.264 281 HA LEU 35 HA LEU 35 -24.982 19.605 -3.236 282 HB2 LEU 35 HB2 LEU 35 -22.376 18.869 -1.965 283 HB3 LEU 35 HB3 LEU 35 -23.488 20.171 -1.549 284 HG LEU 35 HG LEU 35 -23.809 17.234 -0.952 285 HD11 LEU 35 HD11 LEU 35 -22.287 18.424 0.530 286 HD12 LEU 35 HD12 LEU 35 -23.774 17.989 1.371 287 HD13 LEU 35 HD13 LEU 35 -23.520 19.648 0.831 288 HD21 LEU 35 HD21 LEU 35 -25.994 17.852 -1.398 289 HD22 LEU 35 HD22 LEU 35 -25.753 19.505 -0.830 290 HD23 LEU 35 HD23 LEU 35 -25.857 18.180 0.329 291 H ALA 36 H ALA 36 -22.578 17.640 -4.735 292 HA ALA 36 HA ALA 36 -20.983 19.818 -5.730 293 HB1 ALA 36 HB1 ALA 36 -20.195 17.435 -5.286 294 HB2 ALA 36 HB2 ALA 36 -20.975 17.018 -6.813 295 HB3 ALA 36 HB3 ALA 36 -19.661 18.195 -6.786 296 H LYS 37 H LYS 37 -23.857 18.207 -6.698 297 HA LYS 37 HA LYS 37 -23.645 18.957 -9.487 298 HB2 LYS 37 HB2 LYS 37 -24.802 16.864 -8.643 299 HB3 LYS 37 HB3 LYS 37 -26.084 17.912 -8.048 300 HG2 LYS 37 HG2 LYS 37 -25.443 18.436 -10.827 301 HG3 LYS 37 HG3 LYS 37 -25.927 16.762 -10.550 302 HD2 LYS 37 HD2 LYS 37 -27.523 18.989 -9.354 303 HD3 LYS 37 HD3 LYS 37 -27.733 18.574 -11.057 304 HE2 LYS 37 HE2 LYS 37 -27.775 16.366 -9.073 305 HE3 LYS 37 HE3 LYS 37 -29.172 17.440 -9.137 306 HZ1 LYS 37 HZ1 LYS 37 -28.273 16.545 -11.721 307 HZ2 LYS 37 HZ2 LYS 37 -29.834 16.577 -11.070 308 HZ3 LYS 37 HZ3 LYS 37 -28.798 15.287 -10.719 309 H GLU 38 H GLU 38 -24.162 20.700 -6.809 310 HA GLU 38 HA GLU 38 -25.818 22.645 -8.252 311 HB2 GLU 38 HB2 GLU 38 -26.179 22.126 -5.305 312 HB3 GLU 38 HB3 GLU 38 -27.185 23.104 -6.362 313 HG2 GLU 38 HG2 GLU 38 -27.445 20.761 -7.602 314 HG3 GLU 38 HG3 GLU 38 -27.124 20.177 -5.971 315 H LEU 39 H LEU 39 -24.072 22.282 -5.159 316 HA LEU 39 HA LEU 39 -23.357 24.943 -4.840 317 HB2 LEU 39 HB2 LEU 39 -21.750 22.536 -4.003 318 HB3 LEU 39 HB3 LEU 39 -21.632 24.159 -3.327 319 HG LEU 39 HG LEU 39 -23.930 22.229 -3.048 320 HD11 LEU 39 HD11 LEU 39 -23.392 22.443 -0.645 321 HD12 LEU 39 HD12 LEU 39 -21.982 23.409 -1.075 322 HD13 LEU 39 HD13 LEU 39 -22.085 21.725 -1.585 323 HD21 LEU 39 HD21 LEU 39 -23.754 25.157 -2.619 324 HD22 LEU 39 HD22 LEU 39 -24.604 24.205 -1.402 325 HD23 LEU 39 HD23 LEU 39 -25.130 24.159 -3.085 326 H SER 40 H SER 40 -21.488 22.319 -6.352 327 HA SER 40 HA SER 40 -19.190 23.691 -6.999 328 HB2 SER 40 HB2 SER 40 -19.936 21.192 -7.423 329 HB3 SER 40 HB3 SER 40 -20.336 21.812 -9.025 330 HG SER 40 HG SER 40 -18.097 22.708 -8.941 331 H ILE 41 H ILE 41 -19.080 25.638 -7.907 332 HA ILE 41 HA ILE 41 -21.028 26.538 -9.830 333 HB ILE 41 HB ILE 41 -19.650 28.609 -9.905 334 HG12 ILE 41 HG12 ILE 41 -18.064 27.824 -7.556 335 HG13 ILE 41 HG13 ILE 41 -17.605 27.004 -9.046 336 HG21 ILE 41 HG21 ILE 41 -21.331 28.840 -8.374 337 HG22 ILE 41 HG22 ILE 41 -20.779 27.480 -7.398 338 HG23 ILE 41 HG23 ILE 41 -19.933 29.025 -7.317 339 HD11 ILE 41 HD11 ILE 41 -17.848 29.632 -9.818 340 HD12 ILE 41 HD12 ILE 41 -17.144 29.738 -8.205 341 HD13 ILE 41 HD13 ILE 41 -16.346 28.784 -9.456 342 H ASP 42 H ASP 42 -17.938 25.034 -9.914 343 HA ASP 42 HA ASP 42 -17.032 25.939 -12.430 344 HB2 ASP 42 HB2 ASP 42 -15.636 24.757 -10.712 345 HB3 ASP 42 HB3 ASP 42 -16.458 23.261 -11.149 346 H SER 43 H SER 43 -18.143 25.732 -14.256 347 HA SER 43 HA SER 43 -20.255 24.039 -14.770 348 HB2 SER 43 HB2 SER 43 -19.618 24.403 -17.236 349 HB3 SER 43 HB3 SER 43 -19.950 25.839 -16.266 350 HG SER 43 HG SER 43 -18.005 25.938 -17.573 351 H GLY 44 H GLY 44 -16.817 23.432 -15.093 352 HA2 GLY 44 HA2 GLY 44 -17.301 20.834 -16.338 353 HA3 GLY 44 HA3 GLY 44 -15.734 21.578 -16.060 354 H SER 45 H SER 45 -18.404 20.921 -13.811 355 HA SER 45 HA SER 45 -16.984 18.767 -12.540 356 HB2 SER 45 HB2 SER 45 -17.483 21.161 -10.790 357 HB3 SER 45 HB3 SER 45 -16.431 19.776 -10.497 358 HG SER 45 HG SER 45 -15.217 21.606 -11.070 359 H ALA 46 H ALA 46 -19.564 21.179 -12.232 360 HA ALA 46 HA ALA 46 -21.203 19.766 -10.457 361 HB1 ALA 46 HB1 ALA 46 -22.638 21.355 -12.452 362 HB2 ALA 46 HB2 ALA 46 -22.605 21.496 -10.694 363 HB3 ALA 46 HB3 ALA 46 -21.314 22.211 -11.660 364 H LYS 47 H LYS 47 -20.484 19.192 -13.747 365 HA LYS 47 HA LYS 47 -22.913 17.746 -14.340 366 HB2 LYS 47 HB2 LYS 47 -21.398 19.026 -16.000 367 HB3 LYS 47 HB3 LYS 47 -20.372 17.598 -15.943 368 HG2 LYS 47 HG2 LYS 47 -22.480 16.284 -16.549 369 HG3 LYS 47 HG3 LYS 47 -23.175 17.851 -16.972 370 HD2 LYS 47 HD2 LYS 47 -20.539 16.916 -18.076 371 HD3 LYS 47 HD3 LYS 47 -22.076 16.518 -18.849 372 HE2 LYS 47 HE2 LYS 47 -21.479 18.438 -19.974 373 HE3 LYS 47 HE3 LYS 47 -22.499 19.085 -18.690 374 HZ1 LYS 47 HZ1 LYS 47 -20.050 19.986 -19.247 375 HZ2 LYS 47 HZ2 LYS 47 -19.685 18.858 -18.040 376 HZ3 LYS 47 HZ3 LYS 47 -20.772 20.115 -17.723 377 H LYS 48 H LYS 48 -19.820 17.063 -12.986 378 HA LYS 48 HA LYS 48 -20.400 14.176 -13.111 379 HB2 LYS 48 HB2 LYS 48 -17.868 13.973 -12.672 380 HB3 LYS 48 HB3 LYS 48 -18.397 14.419 -14.289 381 HG2 LYS 48 HG2 LYS 48 -17.802 16.607 -12.376 382 HG3 LYS 48 HG3 LYS 48 -16.447 15.695 -13.047 383 HD2 LYS 48 HD2 LYS 48 -18.553 16.665 -14.912 384 HD3 LYS 48 HD3 LYS 48 -17.414 17.843 -14.256 385 HE2 LYS 48 HE2 LYS 48 -16.419 15.282 -15.439 386 HE3 LYS 48 HE3 LYS 48 -16.868 16.626 -16.488 387 HZ1 LYS 48 HZ1 LYS 48 -14.565 16.313 -14.790 388 HZ2 LYS 48 HZ2 LYS 48 -15.318 17.820 -14.634 389 HZ3 LYS 48 HZ3 LYS 48 -14.780 17.295 -16.150 390 H ASN 49 H ASN 49 -21.330 16.157 -11.142 391 HA ASN 49 HA ASN 49 -21.510 16.454 -8.889 392 HB2 ASN 49 HB2 ASN 49 -20.699 13.540 -8.966 393 HB3 ASN 49 HB3 ASN 49 -21.341 14.355 -7.543 394 HD21 ASN 49 HD21 ASN 49 -23.491 15.301 -7.738 395 HD22 ASN 49 HD22 ASN 49 -24.654 14.520 -8.750 396 H GLY 50 H GLY 50 -18.935 17.099 -10.083 397 HA2 GLY 50 HA2 GLY 50 -16.816 17.703 -9.439 398 HA3 GLY 50 HA3 GLY 50 -17.468 17.730 -7.807 399 H ASN 51 H ASN 51 -17.552 14.772 -9.601 400 HA ASN 51 HA ASN 51 -15.621 13.627 -7.725 401 HB2 ASN 51 HB2 ASN 51 -18.003 12.672 -8.298 402 HB3 ASN 51 HB3 ASN 51 -17.176 11.989 -9.695 403 HD21 ASN 51 HD21 ASN 51 -14.979 10.960 -9.032 404 HD22 ASN 51 HD22 ASN 51 -15.067 9.882 -7.684 405 H LEU 52 H LEU 52 -13.771 14.568 -8.778 406 HA LEU 52 HA LEU 52 -13.116 14.052 -11.482 407 HB2 LEU 52 HB2 LEU 52 -10.816 14.699 -10.795 408 HB3 LEU 52 HB3 LEU 52 -12.062 15.869 -10.364 409 HG LEU 52 HG LEU 52 -11.977 14.625 -8.049 410 HD11 LEU 52 HD11 LEU 52 -9.928 13.302 -9.442 411 HD12 LEU 52 HD12 LEU 52 -10.332 13.175 -7.731 412 HD13 LEU 52 HD13 LEU 52 -9.136 14.354 -8.268 413 HD21 LEU 52 HD21 LEU 52 -11.083 17.008 -8.986 414 HD22 LEU 52 HD22 LEU 52 -9.586 16.301 -8.379 415 HD23 LEU 52 HD23 LEU 52 -10.972 16.492 -7.303 416 H GLY 53 H GLY 53 -13.175 12.039 -8.775 417 HA2 GLY 53 HA2 GLY 53 -12.661 9.797 -8.589 418 HA3 GLY 53 HA3 GLY 53 -12.119 9.833 -10.260 419 H TYR 54 H TYR 54 -10.110 9.094 -10.368 420 HA TYR 54 HA TYR 54 -8.273 9.496 -8.153 421 HB2 TYR 54 HB2 TYR 54 -8.440 7.697 -10.485 422 HB3 TYR 54 HB3 TYR 54 -6.810 8.198 -10.048 423 HD1 TYR 54 HD1 TYR 54 -9.754 7.483 -7.875 424 HD2 TYR 54 HD2 TYR 54 -5.830 6.339 -9.054 425 HE1 TYR 54 HE1 TYR 54 -9.719 5.790 -6.092 426 HE2 TYR 54 HE2 TYR 54 -5.783 4.642 -7.274 427 HH TYR 54 HH TYR 54 -7.054 4.395 -4.933 428 H PHE 55 H PHE 55 -6.578 10.857 -8.132 429 HA PHE 55 HA PHE 55 -5.817 12.210 -10.620 430 HB2 PHE 55 HB2 PHE 55 -6.119 14.345 -9.809 431 HB3 PHE 55 HB3 PHE 55 -7.452 13.518 -9.011 432 HD1 PHE 55 HD2 PHE 55 -6.389 12.227 -6.747 433 HD2 PHE 55 HD1 PHE 55 -5.196 15.939 -8.453 434 HE1 PHE 55 HE2 PHE 55 -5.530 12.953 -4.559 435 HE2 PHE 55 HE1 PHE 55 -4.333 16.670 -6.269 436 HZ PHE 55 HZ PHE 55 -4.500 15.176 -4.317 437 H THR 56 H THR 56 -3.806 13.676 -10.096 438 HA THR 56 HA THR 56 -2.032 12.341 -8.183 439 HB THR 56 HB THR 56 -0.277 11.999 -9.732 440 HG1 THR 56 HG1 THR 56 -0.156 13.549 -11.189 441 HG21 THR 56 HG21 THR 56 -2.589 10.612 -9.931 442 HG22 THR 56 HG22 THR 56 -1.133 10.226 -10.848 443 HG23 THR 56 HG23 THR 56 -2.416 11.180 -11.591 444 H LYS 57 H LYS 57 0.279 13.594 -8.550 445 HA LYS 57 HA LYS 57 -0.341 16.325 -7.790 446 HB2 LYS 57 HB2 LYS 57 2.387 15.046 -7.932 447 HB3 LYS 57 HB3 LYS 57 1.910 16.460 -7.002 448 HG2 LYS 57 HG2 LYS 57 0.230 14.580 -5.998 449 HG3 LYS 57 HG3 LYS 57 1.658 13.610 -6.370 450 HD2 LYS 57 HD2 LYS 57 1.800 16.192 -4.829 451 HD3 LYS 57 HD3 LYS 57 1.559 14.628 -4.049 452 HE2 LYS 57 HE2 LYS 57 3.799 14.851 -5.975 453 HE3 LYS 57 HE3 LYS 57 3.974 15.697 -4.438 454 HZ1 LYS 57 HZ1 LYS 57 3.759 12.814 -4.956 455 HZ2 LYS 57 HZ2 LYS 57 3.213 13.423 -3.475 456 HZ3 LYS 57 HZ3 LYS 57 4.825 13.645 -3.938 457 H GLY 58 H GLY 58 -0.570 17.790 -9.350 458 HA2 GLY 58 HA2 GLY 58 0.803 19.189 -10.872 459 HA3 GLY 58 HA3 GLY 58 1.317 17.686 -11.623 460 H MET 59 H MET 59 -1.925 17.576 -10.714 461 HA MET 59 HA MET 59 -2.749 18.220 -13.469 462 HB2 MET 59 HB2 MET 59 -3.978 16.237 -11.545 463 HB3 MET 59 HB3 MET 59 -4.570 16.587 -13.164 464 HG2 MET 59 HG2 MET 59 -1.750 15.706 -12.840 465 HG3 MET 59 HG3 MET 59 -3.038 14.513 -12.681 466 HE1 MET 59 HE1 MET 59 -2.637 13.290 -16.084 467 HE2 MET 59 HE2 MET 59 -1.152 13.736 -15.245 468 HE3 MET 59 HE3 MET 59 -2.508 13.061 -14.340 469 H MET 60 H MET 60 -2.796 19.467 -10.481 470 HA MET 60 HA MET 60 -5.316 20.882 -10.983 471 HB2 MET 60 HB2 MET 60 -4.465 19.921 -8.248 472 HB3 MET 60 HB3 MET 60 -5.952 20.769 -8.653 473 HG2 MET 60 HG2 MET 60 -5.283 18.111 -9.860 474 HG3 MET 60 HG3 MET 60 -6.062 18.247 -8.285 475 HE1 MET 60 HE1 MET 60 -6.948 16.647 -10.500 476 HE2 MET 60 HE2 MET 60 -8.634 16.989 -10.888 477 HE3 MET 60 HE3 MET 60 -7.352 17.525 -11.976 478 H VAL 61 H VAL 61 -5.308 22.583 -8.840 479 HA VAL 61 HA VAL 61 -2.988 24.253 -9.455 480 HB VAL 61 HB VAL 61 -4.224 26.099 -8.520 481 HG11 VAL 61 HG11 VAL 61 -4.850 24.871 -10.824 482 HG12 VAL 61 HG12 VAL 61 -6.418 24.807 -10.016 483 HG13 VAL 61 HG13 VAL 61 -5.623 26.359 -10.279 484 HG21 VAL 61 HG21 VAL 61 -6.336 24.082 -7.764 485 HG22 VAL 61 HG22 VAL 61 -5.261 24.919 -6.644 486 HG23 VAL 61 HG23 VAL 61 -6.456 25.830 -7.567 487 H LYS 62 H LYS 62 -2.025 25.527 -7.670 488 HA LYS 62 HA LYS 62 -0.927 23.920 -5.701 489 HB2 LYS 62 HB2 LYS 62 0.322 25.813 -5.972 490 HB3 LYS 62 HB3 LYS 62 -1.088 26.843 -6.184 491 HG2 LYS 62 HG2 LYS 62 -1.446 27.002 -3.862 492 HG3 LYS 62 HG3 LYS 62 -0.330 25.679 -3.522 493 HD2 LYS 62 HD2 LYS 62 0.954 27.524 -2.994 494 HD3 LYS 62 HD3 LYS 62 1.423 27.229 -4.670 495 HE2 LYS 62 HE2 LYS 62 1.027 29.485 -4.738 496 HE3 LYS 62 HE3 LYS 62 -0.564 28.868 -5.178 497 HZ1 LYS 62 HZ1 LYS 62 0.015 30.581 -3.116 498 HZ2 LYS 62 HZ2 LYS 62 -0.283 29.099 -2.356 499 HZ3 LYS 62 HZ3 LYS 62 -1.451 29.777 -3.375 500 HA PRO 63 HA PRO 63 -4.037 25.769 -2.501 501 HB2 PRO 63 HB2 PRO 63 -6.120 27.212 -3.476 502 HB3 PRO 63 HB3 PRO 63 -4.568 27.938 -3.041 503 HG2 PRO 63 HG2 PRO 63 -5.601 27.153 -5.738 504 HG3 PRO 63 HG3 PRO 63 -4.726 28.619 -5.259 505 HD2 PRO 63 HD2 PRO 63 -3.514 26.535 -6.493 506 HD3 PRO 63 HD3 PRO 63 -2.677 27.563 -5.311 507 H PHE 64 H PHE 64 -4.152 23.364 -3.931 508 HA PHE 64 HA PHE 64 -6.778 22.479 -3.260 509 HB2 PHE 64 HB2 PHE 64 -7.359 23.430 -5.409 510 HB3 PHE 64 HB3 PHE 64 -6.021 22.588 -6.185 511 HD1 PHE 64 HD2 PHE 64 -6.109 20.146 -6.493 512 HD2 PHE 64 HD1 PHE 64 -9.420 22.339 -4.959 513 HE1 PHE 64 HE2 PHE 64 -7.590 18.243 -6.978 514 HE2 PHE 64 HE1 PHE 64 -10.906 20.437 -5.441 515 HZ PHE 64 HZ PHE 64 -9.992 18.386 -6.452 516 H GLU 65 H GLU 65 -4.166 21.566 -5.518 517 HA GLU 65 HA GLU 65 -4.272 18.824 -5.079 518 HB2 GLU 65 HB2 GLU 65 -3.010 19.857 -6.915 519 HB3 GLU 65 HB3 GLU 65 -1.855 20.508 -5.761 520 HG2 GLU 65 HG2 GLU 65 -1.523 18.032 -5.078 521 HG3 GLU 65 HG3 GLU 65 -2.256 17.686 -6.643 522 H ASP 66 H ASP 66 -2.549 21.336 -3.309 523 HA ASP 66 HA ASP 66 -0.916 19.756 -1.709 524 HB2 ASP 66 HB2 ASP 66 -0.810 22.234 -1.837 525 HB3 ASP 66 HB3 ASP 66 -2.300 22.322 -0.901 526 H ALA 67 H ALA 67 -4.125 21.065 -0.860 527 HA ALA 67 HA ALA 67 -4.319 19.140 1.325 528 HB1 ALA 67 HB1 ALA 67 -6.471 21.106 0.684 529 HB2 ALA 67 HB2 ALA 67 -5.948 20.479 2.248 530 HB3 ALA 67 HB3 ALA 67 -4.960 21.670 1.402 531 H ALA 68 H ALA 68 -4.456 18.282 -1.483 532 HA ALA 68 HA ALA 68 -7.248 17.422 -1.727 533 HB1 ALA 68 HB1 ALA 68 -4.951 17.534 -3.647 534 HB2 ALA 68 HB2 ALA 68 -6.369 16.541 -3.982 535 HB3 ALA 68 HB3 ALA 68 -6.543 18.282 -3.770 536 H PHE 69 H PHE 69 -4.108 16.269 -0.901 537 HA PHE 69 HA PHE 69 -5.169 13.524 -0.762 538 HB2 PHE 69 HB2 PHE 69 -2.656 12.888 -0.958 539 HB3 PHE 69 HB3 PHE 69 -3.537 13.332 -2.415 540 HD1 PHE 69 HD2 PHE 69 -1.714 15.144 0.295 541 HD2 PHE 69 HD1 PHE 69 -2.340 14.612 -3.880 542 HE1 PHE 69 HE2 PHE 69 -0.048 16.892 -0.174 543 HE2 PHE 69 HE1 PHE 69 -0.674 16.358 -4.357 544 HZ PHE 69 HZ PHE 69 0.476 17.501 -2.503 545 H LYS 70 H LYS 70 -4.190 16.140 0.984 546 HA LYS 70 HA LYS 70 -2.756 14.792 3.084 547 HB2 LYS 70 HB2 LYS 70 -3.927 17.563 2.846 548 HB3 LYS 70 HB3 LYS 70 -3.099 16.996 4.291 549 HG2 LYS 70 HG2 LYS 70 -1.049 16.729 3.097 550 HG3 LYS 70 HG3 LYS 70 -1.848 17.048 1.554 551 HD2 LYS 70 HD2 LYS 70 -0.600 19.002 2.357 552 HD3 LYS 70 HD3 LYS 70 -2.332 19.328 2.257 553 HE2 LYS 70 HE2 LYS 70 -1.397 20.237 4.312 554 HE3 LYS 70 HE3 LYS 70 -2.542 18.943 4.664 555 HZ1 LYS 70 HZ1 LYS 70 -0.908 17.572 5.407 556 HZ2 LYS 70 HZ2 LYS 70 -0.195 19.052 5.810 557 HZ3 LYS 70 HZ3 LYS 70 0.285 18.235 4.409 558 H LEU 71 H LEU 71 -5.994 15.037 2.213 559 HA LEU 71 HA LEU 71 -7.147 15.052 4.836 560 HB2 LEU 71 HB2 LEU 71 -8.510 14.028 2.372 561 HB3 LEU 71 HB3 LEU 71 -9.220 14.812 3.781 562 HG LEU 71 HG LEU 71 -7.435 16.252 1.830 563 HD11 LEU 71 HD11 LEU 71 -10.446 16.264 1.849 564 HD12 LEU 71 HD12 LEU 71 -9.476 15.298 0.737 565 HD13 LEU 71 HD13 LEU 71 -9.368 17.059 0.701 566 HD21 LEU 71 HD21 LEU 71 -8.106 18.203 2.886 567 HD22 LEU 71 HD22 LEU 71 -7.922 17.080 4.233 568 HD23 LEU 71 HD23 LEU 71 -9.530 17.448 3.604 569 H GLN 72 H GLN 72 -8.820 13.153 5.243 570 HA GLN 72 HA GLN 72 -7.214 10.701 5.249 571 HB2 GLN 72 HB2 GLN 72 -9.018 11.967 7.143 572 HB3 GLN 72 HB3 GLN 72 -9.438 10.281 6.871 573 HG2 GLN 72 HG2 GLN 72 -6.800 11.374 7.815 574 HG3 GLN 72 HG3 GLN 72 -7.953 10.407 8.733 575 HE21 GLN 72 HE21 GLN 72 -5.168 10.339 6.926 576 HE22 GLN 72 HE22 GLN 72 -5.096 8.645 6.598 577 H VAL 73 H VAL 73 -8.717 8.655 5.355 578 HA VAL 73 HA VAL 73 -9.922 8.406 2.811 579 HB VAL 73 HB VAL 73 -8.956 6.455 3.781 580 HG11 VAL 73 HG11 VAL 73 -10.401 7.333 6.152 581 HG12 VAL 73 HG12 VAL 73 -10.548 5.600 5.855 582 HG13 VAL 73 HG13 VAL 73 -8.953 6.337 6.012 583 HG21 VAL 73 HG21 VAL 73 -11.505 6.508 2.724 584 HG22 VAL 73 HG22 VAL 73 -10.492 5.078 2.924 585 HG23 VAL 73 HG23 VAL 73 -11.676 5.501 4.161 586 H GLY 74 H GLY 74 -11.555 9.985 2.678 587 HA2 GLY 74 HA2 GLY 74 -13.939 10.107 2.533 588 HA3 GLY 74 HA3 GLY 74 -14.044 9.182 4.024 589 H GLU 75 H GLU 75 -11.711 11.690 3.978 590 HA GLU 75 HA GLU 75 -13.387 13.248 5.809 591 HB2 GLU 75 HB2 GLU 75 -10.616 12.542 5.755 592 HB3 GLU 75 HB3 GLU 75 -10.750 14.294 5.685 593 HG2 GLU 75 HG2 GLU 75 -12.447 13.918 7.653 594 HG3 GLU 75 HG3 GLU 75 -11.551 12.412 7.842 595 H VAL 76 H VAL 76 -13.924 15.349 5.452 596 HA VAL 76 HA VAL 76 -13.570 16.333 2.738 597 HB VAL 76 HB VAL 76 -15.190 17.474 5.020 598 HG11 VAL 76 HG11 VAL 76 -16.252 18.420 2.671 599 HG12 VAL 76 HG12 VAL 76 -15.198 19.323 3.761 600 HG13 VAL 76 HG13 VAL 76 -14.516 18.482 2.367 601 HG21 VAL 76 HG21 VAL 76 -15.673 15.187 3.551 602 HG22 VAL 76 HG22 VAL 76 -16.869 16.117 4.453 603 HG23 VAL 76 HG23 VAL 76 -16.635 16.417 2.731 604 H SER 77 H SER 77 -12.475 18.156 2.161 605 HA SER 77 HA SER 77 -10.534 19.150 4.073 606 HB2 SER 77 HB2 SER 77 -9.266 19.700 2.272 607 HB3 SER 77 HB3 SER 77 -10.370 18.632 1.405 608 HG SER 77 HG SER 77 -11.665 20.595 1.059 609 H GLU 78 H GLU 78 -10.141 21.455 4.348 610 HA GLU 78 HA GLU 78 -12.542 22.855 4.969 611 HB2 GLU 78 HB2 GLU 78 -9.631 23.356 5.248 612 HB3 GLU 78 HB3 GLU 78 -10.675 24.770 5.229 613 HG2 GLU 78 HG2 GLU 78 -11.744 22.750 6.973 614 HG3 GLU 78 HG3 GLU 78 -10.075 23.125 7.399 615 HA PRO 79 HA PRO 79 -13.282 25.282 1.393 616 HB2 PRO 79 HB2 PRO 79 -13.878 27.723 2.423 617 HB3 PRO 79 HB3 PRO 79 -14.963 26.334 2.555 618 HG2 PRO 79 HG2 PRO 79 -13.051 27.443 4.574 619 HG3 PRO 79 HG3 PRO 79 -14.713 26.868 4.804 620 HD2 PRO 79 HD2 PRO 79 -12.551 25.361 5.425 621 HD3 PRO 79 HD3 PRO 79 -14.074 24.654 4.850 622 H ILE 80 H ILE 80 -11.053 25.165 0.640 623 HA ILE 80 HA ILE 80 -9.182 27.218 1.331 624 HB ILE 80 HB ILE 80 -9.079 25.445 -1.106 625 HG12 ILE 80 HG12 ILE 80 -9.431 24.090 0.932 626 HG13 ILE 80 HG13 ILE 80 -7.833 23.838 0.238 627 HG21 ILE 80 HG21 ILE 80 -7.232 27.302 0.235 628 HG22 ILE 80 HG22 ILE 80 -6.534 25.759 -0.257 629 HG23 ILE 80 HG23 ILE 80 -7.310 26.795 -1.453 630 HD11 ILE 80 HD11 ILE 80 -7.712 23.971 2.648 631 HD12 ILE 80 HD12 ILE 80 -6.883 25.346 1.916 632 HD13 ILE 80 HD13 ILE 80 -8.487 25.555 2.620 633 H LYS 81 H LYS 81 -9.495 29.264 0.761 634 HA LYS 81 HA LYS 81 -11.111 30.045 -1.457 635 HB2 LYS 81 HB2 LYS 81 -10.842 31.387 0.628 636 HB3 LYS 81 HB3 LYS 81 -9.184 31.730 0.152 637 HG2 LYS 81 HG2 LYS 81 -9.989 33.546 -0.841 638 HG3 LYS 81 HG3 LYS 81 -10.645 32.459 -2.067 639 HD2 LYS 81 HD2 LYS 81 -12.714 32.262 -0.694 640 HD3 LYS 81 HD3 LYS 81 -12.055 33.488 0.393 641 HE2 LYS 81 HE2 LYS 81 -13.434 34.700 -1.044 642 HE3 LYS 81 HE3 LYS 81 -11.820 34.938 -1.712 643 HZ1 LYS 81 HZ1 LYS 81 -12.332 33.815 -3.567 644 HZ2 LYS 81 HZ2 LYS 81 -13.933 34.155 -3.145 645 HZ3 LYS 81 HZ3 LYS 81 -13.258 32.653 -2.758 646 H SER 82 H SER 82 -10.518 30.007 -3.513 647 HA SER 82 HA SER 82 -7.748 30.700 -4.204 648 HB2 SER 82 HB2 SER 82 -8.212 28.182 -4.264 649 HB3 SER 82 HB3 SER 82 -9.255 28.520 -5.644 650 HG SER 82 HG SER 82 -7.501 28.480 -6.783 651 H GLU 83 H GLU 83 -7.801 30.660 -6.871 652 HA GLU 83 HA GLU 83 -9.167 33.007 -7.563 653 HB2 GLU 83 HB2 GLU 83 -8.499 32.485 -9.883 654 HB3 GLU 83 HB3 GLU 83 -7.169 32.318 -8.747 655 HG2 GLU 83 HG2 GLU 83 -7.912 29.811 -8.711 656 HG3 GLU 83 HG3 GLU 83 -8.643 30.224 -10.261 657 H PHE 84 H PHE 84 -10.117 29.674 -7.670 658 HA PHE 84 HA PHE 84 -12.454 30.264 -9.316 659 HB2 PHE 84 HB2 PHE 84 -11.705 27.604 -8.102 660 HB3 PHE 84 HB3 PHE 84 -12.795 27.904 -9.452 661 HD1 PHE 84 HD1 PHE 84 -11.505 29.436 -11.351 662 HD2 PHE 84 HD2 PHE 84 -9.741 26.608 -8.704 663 HE1 PHE 84 HE1 PHE 84 -9.639 29.130 -12.926 664 HE2 PHE 84 HE2 PHE 84 -7.872 26.299 -10.274 665 HZ PHE 84 HZ PHE 84 -7.819 27.561 -12.387 666 H GLY 85 H GLY 85 -11.558 29.991 -6.034 667 HA2 GLY 85 HA2 GLY 85 -13.312 30.968 -4.531 668 HA3 GLY 85 HA3 GLY 85 -14.402 29.793 -5.252 669 H TYR 86 H TYR 86 -14.827 29.024 -3.109 670 HA TYR 86 HA TYR 86 -12.711 27.867 -1.552 671 HB2 TYR 86 HB2 TYR 86 -15.719 27.716 -1.293 672 HB3 TYR 86 HB3 TYR 86 -14.595 27.017 -0.134 673 HD1 TYR 86 HD2 TYR 86 -12.687 28.815 0.607 674 HD2 TYR 86 HD1 TYR 86 -16.629 29.742 -0.700 675 HE1 TYR 86 HE2 TYR 86 -12.568 30.965 1.795 676 HE2 TYR 86 HE1 TYR 86 -16.520 31.895 0.483 677 HH TYR 86 HH TYR 86 -13.876 32.687 2.621 678 H HIS 87 H HIS 87 -11.804 25.966 -1.917 679 HA HIS 87 HA HIS 87 -13.188 24.012 -3.598 680 HB2 HIS 87 HB2 HIS 87 -10.313 24.289 -2.721 681 HB3 HIS 87 HB3 HIS 87 -10.915 22.868 -3.569 682 HD1 HIS 87 HD1 HIS 87 -11.341 23.080 -6.075 683 HD2 HIS 87 HD2 HIS 87 -10.176 26.644 -4.288 684 HE1 HIS 87 HE1 HIS 87 -10.836 24.650 -7.973 685 H ILE 88 H ILE 88 -14.118 22.261 -2.775 686 HA ILE 88 HA ILE 88 -13.426 21.479 -0.019 687 HB ILE 88 HB ILE 88 -16.053 21.123 -1.467 688 HG12 ILE 88 HG12 ILE 88 -15.685 23.430 -0.771 689 HG13 ILE 88 HG13 ILE 88 -16.916 22.686 0.244 690 HG21 ILE 88 HG21 ILE 88 -14.926 19.735 0.772 691 HG22 ILE 88 HG22 ILE 88 -16.339 20.654 1.287 692 HG23 ILE 88 HG23 ILE 88 -16.478 19.487 -0.029 693 HD11 ILE 88 HD11 ILE 88 -14.867 22.192 1.805 694 HD12 ILE 88 HD12 ILE 88 -14.160 23.549 0.927 695 HD13 ILE 88 HD13 ILE 88 -15.669 23.763 1.814 696 H ILE 89 H ILE 89 -11.736 20.114 -0.821 697 HA ILE 89 HA ILE 89 -12.376 17.928 -2.583 698 HB ILE 89 HB ILE 89 -9.901 18.169 -0.885 699 HG12 ILE 89 HG12 ILE 89 -9.261 19.089 -3.428 700 HG13 ILE 89 HG13 ILE 89 -10.806 19.858 -3.082 701 HG21 ILE 89 HG21 ILE 89 -10.760 16.169 -2.544 702 HG22 ILE 89 HG22 ILE 89 -9.712 17.115 -3.600 703 HG23 ILE 89 HG23 ILE 89 -9.083 16.468 -2.085 704 HD11 ILE 89 HD11 ILE 89 -8.162 20.333 -1.928 705 HD12 ILE 89 HD12 ILE 89 -9.543 21.416 -2.100 706 HD13 ILE 89 HD13 ILE 89 -9.479 20.276 -0.757 707 H LYS 90 H LYS 90 -12.956 15.908 -2.059 708 HA LYS 90 HA LYS 90 -12.740 15.053 0.743 709 HB2 LYS 90 HB2 LYS 90 -15.030 15.832 0.419 710 HB3 LYS 90 HB3 LYS 90 -15.202 14.799 -0.994 711 HG2 LYS 90 HG2 LYS 90 -14.716 12.855 0.590 712 HG3 LYS 90 HG3 LYS 90 -15.018 14.008 1.891 713 HD2 LYS 90 HD2 LYS 90 -17.251 14.348 1.205 714 HD3 LYS 90 HD3 LYS 90 -16.972 13.564 -0.352 715 HE2 LYS 90 HE2 LYS 90 -16.446 11.464 1.019 716 HE3 LYS 90 HE3 LYS 90 -17.194 12.315 2.370 717 HZ1 LYS 90 HZ1 LYS 90 -18.777 10.896 1.219 718 HZ2 LYS 90 HZ2 LYS 90 -18.504 11.725 -0.230 719 HZ3 LYS 90 HZ3 LYS 90 -19.220 12.523 1.079 720 H ARG 91 H ARG 91 -11.609 13.237 0.826 721 HA ARG 91 HA ARG 91 -11.017 11.675 -1.466 722 HB2 ARG 91 HB2 ARG 91 -9.402 11.787 0.301 723 HB3 ARG 91 HB3 ARG 91 -10.566 11.198 1.479 724 HG2 ARG 91 HG2 ARG 91 -10.524 9.017 0.572 725 HG3 ARG 91 HG3 ARG 91 -9.657 9.558 -0.867 726 HD2 ARG 91 HD2 ARG 91 -7.654 9.814 0.285 727 HD3 ARG 91 HD3 ARG 91 -8.456 9.901 1.853 728 HE ARG 91 HE ARG 91 -8.930 7.372 0.757 729 HH11 ARG 91 HH11 ARG 91 -6.294 9.270 2.008 730 HH12 ARG 91 HH12 ARG 91 -5.389 7.895 2.550 731 HH21 ARG 91 HH21 ARG 91 -7.748 5.553 1.464 732 HH22 ARG 91 HH22 ARG 91 -6.217 5.782 2.239 733 H PHE 92 H PHE 92 -11.646 9.569 -1.990 734 HA PHE 92 HA PHE 92 -14.104 8.631 -0.662 735 HB2 PHE 92 HB2 PHE 92 -13.456 8.963 -3.553 736 HB3 PHE 92 HB3 PHE 92 -14.459 7.593 -3.087 737 HD1 PHE 92 HD1 PHE 92 -14.255 11.185 -2.084 738 HD2 PHE 92 HD2 PHE 92 -16.684 7.966 -3.445 739 HE1 PHE 92 HE1 PHE 92 -16.227 12.654 -2.025 740 HE2 PHE 92 HE2 PHE 92 -18.661 9.430 -3.389 741 HZ PHE 92 HZ PHE 92 -18.435 11.777 -2.678 742 H GLY 93 H GLY 93 -11.041 7.816 -2.121 743 HA2 GLY 93 HA2 GLY 93 -11.244 5.046 -2.293 744 HA3 GLY 93 HA3 GLY 93 -9.751 5.922 -1.988 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.553 1.766 -9.977 2 HA2 GLY 1 HA2 GLY 1 1.586 1.621 -12.866 3 HA3 GLY 1 HA3 GLY 1 0.647 2.960 -12.224 4 HA PRO 2 HA PRO 2 5.109 4.248 -12.717 5 HB2 PRO 2 HB2 PRO 2 4.582 6.447 -14.218 6 HB3 PRO 2 HB3 PRO 2 4.831 4.844 -14.919 7 HG2 PRO 2 HG2 PRO 2 2.270 6.282 -14.343 8 HG3 PRO 2 HG3 PRO 2 2.725 5.336 -15.772 9 HD2 PRO 2 HD2 PRO 2 1.158 4.339 -13.803 10 HD3 PRO 2 HD3 PRO 2 2.275 3.325 -14.740 11 H SER 3 H SER 3 2.129 5.847 -11.835 12 HA SER 3 HA SER 3 3.629 7.478 -9.907 13 HB2 SER 3 HB2 SER 3 2.991 8.883 -11.867 14 HB3 SER 3 HB3 SER 3 1.298 8.508 -11.541 15 HG SER 3 HG SER 3 1.360 9.701 -9.735 16 H ASN 4 H ASN 4 2.160 8.386 -8.190 17 HA ASN 4 HA ASN 4 0.271 6.296 -7.386 18 HB2 ASN 4 HB2 ASN 4 1.948 8.285 -5.918 19 HB3 ASN 4 HB3 ASN 4 0.457 7.730 -5.162 20 HD21 ASN 4 HD21 ASN 4 3.245 6.388 -6.900 21 HD22 ASN 4 HD22 ASN 4 3.458 5.030 -5.853 22 H LYS 5 H LYS 5 -1.858 6.650 -7.197 23 HA LYS 5 HA LYS 5 -2.843 9.417 -7.252 24 HB2 LYS 5 HB2 LYS 5 -4.768 8.221 -8.698 25 HB3 LYS 5 HB3 LYS 5 -3.376 9.014 -9.423 26 HG2 LYS 5 HG2 LYS 5 -2.230 6.870 -9.597 27 HG3 LYS 5 HG3 LYS 5 -3.613 6.067 -8.850 28 HD2 LYS 5 HD2 LYS 5 -3.941 5.722 -11.134 29 HD3 LYS 5 HD3 LYS 5 -4.982 7.098 -10.769 30 HE2 LYS 5 HE2 LYS 5 -3.281 8.625 -11.606 31 HE3 LYS 5 HE3 LYS 5 -2.201 7.270 -11.924 32 HZ1 LYS 5 HZ1 LYS 5 -3.932 8.344 -13.704 33 HZ2 LYS 5 HZ2 LYS 5 -4.781 6.988 -13.156 34 HZ3 LYS 5 HZ3 LYS 5 -3.239 6.805 -13.826 35 H ILE 6 H ILE 6 -5.119 9.599 -6.562 36 HA ILE 6 HA ILE 6 -6.198 7.367 -5.050 37 HB ILE 6 HB ILE 6 -6.434 8.674 -2.975 38 HG12 ILE 6 HG12 ILE 6 -4.352 10.597 -3.912 39 HG13 ILE 6 HG13 ILE 6 -6.020 10.879 -4.394 40 HG21 ILE 6 HG21 ILE 6 -3.532 8.534 -3.744 41 HG22 ILE 6 HG22 ILE 6 -4.256 8.277 -2.158 42 HG23 ILE 6 HG23 ILE 6 -4.510 7.097 -3.444 43 HD11 ILE 6 HD11 ILE 6 -5.441 12.119 -2.384 44 HD12 ILE 6 HD12 ILE 6 -6.694 10.921 -2.057 45 HD13 ILE 6 HD13 ILE 6 -5.030 10.612 -1.565 46 H LYS 7 H LYS 7 -8.394 7.601 -4.514 47 HA LYS 7 HA LYS 7 -9.893 9.207 -6.318 48 HB2 LYS 7 HB2 LYS 7 -10.380 6.992 -4.629 49 HB3 LYS 7 HB3 LYS 7 -11.510 8.249 -4.146 50 HG2 LYS 7 HG2 LYS 7 -11.893 8.417 -6.751 51 HG3 LYS 7 HG3 LYS 7 -11.306 6.754 -6.702 52 HD2 LYS 7 HD2 LYS 7 -13.336 6.093 -6.085 53 HD3 LYS 7 HD3 LYS 7 -13.158 7.022 -4.595 54 HE2 LYS 7 HE2 LYS 7 -14.108 8.972 -5.645 55 HE3 LYS 7 HE3 LYS 7 -14.156 8.154 -7.205 56 HZ1 LYS 7 HZ1 LYS 7 -15.926 6.870 -6.583 57 HZ2 LYS 7 HZ2 LYS 7 -16.271 8.283 -5.721 58 HZ3 LYS 7 HZ3 LYS 7 -15.575 6.960 -4.931 59 H CYS 8 H CYS 8 -11.211 10.979 -5.928 60 HA CYS 8 HA CYS 8 -11.621 12.135 -3.384 61 HB2 CYS 8 HB2 CYS 8 -9.105 12.737 -4.608 62 HB3 CYS 8 HB3 CYS 8 -10.087 14.197 -4.591 63 HG CYS 8 HG CYS 8 -10.464 14.236 -1.852 64 H SER 9 H SER 9 -12.457 14.463 -3.626 65 HA SER 9 HA SER 9 -13.754 14.835 -6.237 66 HB2 SER 9 HB2 SER 9 -15.882 15.321 -5.186 67 HB3 SER 9 HB3 SER 9 -15.333 13.737 -4.641 68 HG SER 9 HG SER 9 -16.041 14.910 -2.869 69 H HIS 10 H HIS 10 -15.243 17.077 -5.624 70 HA HIS 10 HA HIS 10 -13.835 19.069 -4.207 71 HB2 HIS 10 HB2 HIS 10 -13.027 20.404 -6.145 72 HB3 HIS 10 HB3 HIS 10 -12.170 18.878 -5.953 73 HD1 HIS 10 HD1 HIS 10 -13.763 20.887 -8.450 74 HD2 HIS 10 HD2 HIS 10 -13.323 16.808 -7.794 75 HE1 HIS 10 HE1 HIS 10 -14.219 19.796 -10.670 76 H ILE 11 H ILE 11 -14.935 21.042 -4.169 77 HA ILE 11 HA ILE 11 -17.255 21.376 -5.899 78 HB ILE 11 HB ILE 11 -17.436 21.072 -2.912 79 HG12 ILE 11 HG12 ILE 11 -19.059 19.902 -5.182 80 HG13 ILE 11 HG13 ILE 11 -17.758 19.070 -4.337 81 HG21 ILE 11 HG21 ILE 11 -19.812 21.869 -3.185 82 HG22 ILE 11 HG22 ILE 11 -18.568 23.112 -3.310 83 HG23 ILE 11 HG23 ILE 11 -19.335 22.484 -4.768 84 HD11 ILE 11 HD11 ILE 11 -19.090 19.353 -2.231 85 HD12 ILE 11 HD12 ILE 11 -20.422 19.915 -3.240 86 HD13 ILE 11 HD13 ILE 11 -19.794 18.279 -3.440 87 H LEU 12 H LEU 12 -17.112 23.377 -6.647 88 HA LEU 12 HA LEU 12 -15.760 25.425 -5.064 89 HB2 LEU 12 HB2 LEU 12 -16.375 25.020 -7.930 90 HB3 LEU 12 HB3 LEU 12 -16.331 26.686 -7.356 91 HG LEU 12 HG LEU 12 -14.197 26.080 -8.310 92 HD11 LEU 12 HD11 LEU 12 -13.840 26.113 -5.327 93 HD12 LEU 12 HD12 LEU 12 -14.364 27.528 -6.239 94 HD13 LEU 12 HD13 LEU 12 -12.791 26.802 -6.566 95 HD21 LEU 12 HD21 LEU 12 -13.097 24.153 -7.942 96 HD22 LEU 12 HD22 LEU 12 -14.679 23.567 -7.428 97 HD23 LEU 12 HD23 LEU 12 -13.510 24.120 -6.228 98 H VAL 13 H VAL 13 -16.697 27.384 -4.504 99 HA VAL 13 HA VAL 13 -19.522 27.807 -5.094 100 HB VAL 13 HB VAL 13 -20.113 28.186 -2.754 101 HG11 VAL 13 HG11 VAL 13 -20.394 25.945 -3.819 102 HG12 VAL 13 HG12 VAL 13 -18.875 25.456 -3.065 103 HG13 VAL 13 HG13 VAL 13 -20.256 25.902 -2.062 104 HG21 VAL 13 HG21 VAL 13 -18.647 27.694 -0.941 105 HG22 VAL 13 HG22 VAL 13 -17.419 27.047 -2.030 106 HG23 VAL 13 HG23 VAL 13 -17.781 28.773 -2.035 107 H SER 14 H SER 14 -20.165 29.928 -3.699 108 HA SER 14 HA SER 14 -18.068 31.904 -4.320 109 HB2 SER 14 HB2 SER 14 -20.133 33.492 -4.401 110 HB3 SER 14 HB3 SER 14 -19.826 32.421 -5.767 111 HG SER 14 HG SER 14 -21.552 31.279 -5.281 112 H LYS 15 H LYS 15 -20.030 30.559 -1.874 113 HA LYS 15 HA LYS 15 -19.106 32.627 0.005 114 HB2 LYS 15 HB2 LYS 15 -21.754 31.205 0.265 115 HB3 LYS 15 HB3 LYS 15 -21.178 32.589 1.185 116 HG2 LYS 15 HG2 LYS 15 -21.186 33.883 -0.976 117 HG3 LYS 15 HG3 LYS 15 -22.042 32.515 -1.692 118 HD2 LYS 15 HD2 LYS 15 -22.977 34.059 0.727 119 HD3 LYS 15 HD3 LYS 15 -23.553 34.323 -0.920 120 HE2 LYS 15 HE2 LYS 15 -25.171 32.897 -0.180 121 HE3 LYS 15 HE3 LYS 15 -24.009 31.722 -0.795 122 HZ1 LYS 15 HZ1 LYS 15 -23.685 30.908 1.232 123 HZ2 LYS 15 HZ2 LYS 15 -25.043 31.788 1.725 124 HZ3 LYS 15 HZ3 LYS 15 -23.496 32.440 1.924 125 H GLN 16 H GLN 16 -18.430 31.920 2.008 126 HA GLN 16 HA GLN 16 -17.379 29.327 2.185 127 HB2 GLN 16 HB2 GLN 16 -17.023 29.918 4.619 128 HB3 GLN 16 HB3 GLN 16 -16.329 31.036 3.452 129 HG2 GLN 16 HG2 GLN 16 -17.744 32.718 4.006 130 HG3 GLN 16 HG3 GLN 16 -19.058 31.623 4.432 131 HE21 GLN 16 HE21 GLN 16 -17.491 33.927 5.765 132 HE22 GLN 16 HE22 GLN 16 -17.196 33.324 7.356 133 H SER 17 H SER 17 -20.461 30.634 3.088 134 HA SER 17 HA SER 17 -21.255 28.670 4.947 135 HB2 SER 17 HB2 SER 17 -22.403 30.869 4.578 136 HB3 SER 17 HB3 SER 17 -23.053 30.222 3.072 137 HG SER 17 HG SER 17 -23.422 28.799 5.463 138 H GLU 18 H GLU 18 -21.101 28.693 1.481 139 HA GLU 18 HA GLU 18 -22.776 26.343 1.199 140 HB2 GLU 18 HB2 GLU 18 -21.186 27.972 -0.784 141 HB3 GLU 18 HB3 GLU 18 -22.091 26.532 -1.226 142 HG2 GLU 18 HG2 GLU 18 -24.123 27.679 -0.245 143 HG3 GLU 18 HG3 GLU 18 -23.148 29.146 -0.206 144 H ALA 19 H ALA 19 -19.354 27.193 0.802 145 HA ALA 19 HA ALA 19 -18.490 24.604 0.055 146 HB1 ALA 19 HB1 ALA 19 -16.319 25.838 1.276 147 HB2 ALA 19 HB2 ALA 19 -16.728 25.866 -0.440 148 HB3 ALA 19 HB3 ALA 19 -17.277 27.164 0.619 149 H LEU 20 H LEU 20 -18.442 26.310 3.178 150 HA LEU 20 HA LEU 20 -17.326 24.148 4.633 151 HB2 LEU 20 HB2 LEU 20 -17.577 26.699 5.200 152 HB3 LEU 20 HB3 LEU 20 -19.091 26.171 5.931 153 HG LEU 20 HG LEU 20 -16.626 24.715 6.711 154 HD11 LEU 20 HD11 LEU 20 -17.251 27.529 7.586 155 HD12 LEU 20 HD12 LEU 20 -15.791 26.959 6.780 156 HD13 LEU 20 HD13 LEU 20 -16.144 26.445 8.429 157 HD21 LEU 20 HD21 LEU 20 -17.955 25.233 8.967 158 HD22 LEU 20 HD22 LEU 20 -18.366 23.886 7.905 159 HD23 LEU 20 HD23 LEU 20 -19.286 25.390 7.821 160 H ALA 21 H ALA 21 -20.467 24.769 3.446 161 HA ALA 21 HA ALA 21 -21.958 23.311 5.389 162 HB1 ALA 21 HB1 ALA 21 -22.513 24.405 2.673 163 HB2 ALA 21 HB2 ALA 21 -23.625 23.223 3.364 164 HB3 ALA 21 HB3 ALA 21 -23.311 24.738 4.211 165 H ILE 22 H ILE 22 -19.797 22.346 3.000 166 HA ILE 22 HA ILE 22 -21.020 19.914 2.170 167 HB ILE 22 HB ILE 22 -18.102 20.698 2.151 168 HG12 ILE 22 HG12 ILE 22 -19.496 22.213 0.828 169 HG13 ILE 22 HG13 ILE 22 -18.502 21.213 -0.225 170 HG21 ILE 22 HG21 ILE 22 -18.326 18.930 0.154 171 HG22 ILE 22 HG22 ILE 22 -17.884 18.474 1.799 172 HG23 ILE 22 HG23 ILE 22 -19.549 18.286 1.251 173 HD11 ILE 22 HD11 ILE 22 -20.531 19.702 -0.436 174 HD12 ILE 22 HD12 ILE 22 -21.444 21.021 0.297 175 HD13 ILE 22 HD13 ILE 22 -20.605 21.272 -1.233 176 H MET 23 H MET 23 -18.897 20.819 4.815 177 HA MET 23 HA MET 23 -18.469 18.078 5.631 178 HB2 MET 23 HB2 MET 23 -17.231 19.070 7.515 179 HB3 MET 23 HB3 MET 23 -16.683 19.698 5.967 180 HG2 MET 23 HG2 MET 23 -17.373 21.791 6.413 181 HG3 MET 23 HG3 MET 23 -18.795 21.250 7.300 182 HE1 MET 23 HE1 MET 23 -14.635 22.193 8.674 183 HE2 MET 23 HE2 MET 23 -14.747 20.445 8.469 184 HE3 MET 23 HE3 MET 23 -15.130 21.518 7.122 185 H GLU 24 H GLU 24 -20.725 20.599 6.255 186 HA GLU 24 HA GLU 24 -21.641 19.454 8.759 187 HB2 GLU 24 HB2 GLU 24 -23.104 21.603 7.270 188 HB3 GLU 24 HB3 GLU 24 -22.981 21.342 9.004 189 HG2 GLU 24 HG2 GLU 24 -20.389 21.816 8.357 190 HG3 GLU 24 HG3 GLU 24 -21.232 22.832 7.190 191 H LYS 25 H LYS 25 -22.956 19.997 5.498 192 HA LYS 25 HA LYS 25 -25.409 18.699 5.906 193 HB2 LYS 25 HB2 LYS 25 -24.713 20.202 3.962 194 HB3 LYS 25 HB3 LYS 25 -23.935 18.781 3.277 195 HG2 LYS 25 HG2 LYS 25 -26.019 18.874 2.238 196 HG3 LYS 25 HG3 LYS 25 -26.206 17.643 3.489 197 HD2 LYS 25 HD2 LYS 25 -28.116 18.871 3.822 198 HD3 LYS 25 HD3 LYS 25 -27.010 19.692 4.928 199 HE2 LYS 25 HE2 LYS 25 -27.233 20.628 2.101 200 HE3 LYS 25 HE3 LYS 25 -28.488 21.064 3.259 201 HZ1 LYS 25 HZ1 LYS 25 -26.249 21.638 4.623 202 HZ2 LYS 25 HZ2 LYS 25 -27.128 22.762 3.718 203 HZ3 LYS 25 HZ3 LYS 25 -25.768 22.013 3.045 204 H LEU 26 H LEU 26 -22.265 17.483 4.865 205 HA LEU 26 HA LEU 26 -23.339 14.774 4.649 206 HB2 LEU 26 HB2 LEU 26 -20.485 15.567 4.189 207 HB3 LEU 26 HB3 LEU 26 -21.361 14.180 3.543 208 HG LEU 26 HG LEU 26 -21.843 17.049 2.741 209 HD11 LEU 26 HD11 LEU 26 -19.642 16.327 2.024 210 HD12 LEU 26 HD12 LEU 26 -20.734 16.428 0.643 211 HD13 LEU 26 HD13 LEU 26 -20.327 14.857 1.333 212 HD21 LEU 26 HD21 LEU 26 -23.125 14.462 2.096 213 HD22 LEU 26 HD22 LEU 26 -22.868 15.584 0.760 214 HD23 LEU 26 HD23 LEU 26 -23.811 16.085 2.164 215 H LYS 27 H LYS 27 -23.008 16.234 7.221 216 HA LYS 27 HA LYS 27 -20.810 15.071 8.615 217 HB2 LYS 27 HB2 LYS 27 -21.706 16.073 10.565 218 HB3 LYS 27 HB3 LYS 27 -22.051 17.190 9.251 219 HG2 LYS 27 HG2 LYS 27 -24.343 16.188 9.122 220 HG3 LYS 27 HG3 LYS 27 -23.962 15.301 10.600 221 HD2 LYS 27 HD2 LYS 27 -23.770 18.299 10.373 222 HD3 LYS 27 HD3 LYS 27 -25.222 17.459 10.923 223 HE2 LYS 27 HE2 LYS 27 -24.177 16.669 12.853 224 HE3 LYS 27 HE3 LYS 27 -22.561 16.942 12.203 225 HZ1 LYS 27 HZ1 LYS 27 -23.912 19.394 12.277 226 HZ2 LYS 27 HZ2 LYS 27 -22.550 18.922 13.161 227 HZ3 LYS 27 HZ3 LYS 27 -24.097 18.657 13.789 228 H SER 28 H SER 28 -24.131 14.145 8.032 229 HA SER 28 HA SER 28 -24.018 11.957 9.933 230 HB2 SER 28 HB2 SER 28 -26.091 13.445 9.156 231 HB3 SER 28 HB3 SER 28 -26.226 12.172 7.943 232 HG SER 28 HG SER 28 -27.039 12.101 10.446 233 H GLY 29 H GLY 29 -23.684 12.487 6.499 234 HA2 GLY 29 HA2 GLY 29 -22.199 10.746 5.456 235 HA3 GLY 29 HA3 GLY 29 -23.329 9.577 6.126 236 H GLU 30 H GLU 30 -24.171 12.658 4.629 237 HA GLU 30 HA GLU 30 -26.077 11.397 2.920 238 HB2 GLU 30 HB2 GLU 30 -25.078 14.222 2.628 239 HB3 GLU 30 HB3 GLU 30 -26.654 13.575 2.195 240 HG2 GLU 30 HG2 GLU 30 -25.587 13.950 4.984 241 HG3 GLU 30 HG3 GLU 30 -26.806 14.942 4.184 242 H LYS 31 H LYS 31 -25.871 12.775 0.537 243 HA LYS 31 HA LYS 31 -23.619 11.378 -0.698 244 HB2 LYS 31 HB2 LYS 31 -26.217 11.472 -1.431 245 HB3 LYS 31 HB3 LYS 31 -25.587 12.808 -2.386 246 HG2 LYS 31 HG2 LYS 31 -24.730 9.929 -2.467 247 HG3 LYS 31 HG3 LYS 31 -25.517 10.863 -3.741 248 HD2 LYS 31 HD2 LYS 31 -23.528 12.310 -3.876 249 HD3 LYS 31 HD3 LYS 31 -22.744 11.324 -2.640 250 HE2 LYS 31 HE2 LYS 31 -23.292 9.364 -4.284 251 HE3 LYS 31 HE3 LYS 31 -23.392 10.658 -5.478 252 HZ1 LYS 31 HZ1 LYS 31 -21.132 11.349 -4.716 253 HZ2 LYS 31 HZ2 LYS 31 -21.185 9.849 -5.497 254 HZ3 LYS 31 HZ3 LYS 31 -21.053 9.921 -3.812 255 H PHE 32 H PHE 32 -21.822 12.445 -1.157 256 HA PHE 32 HA PHE 32 -21.518 15.221 -0.854 257 HB2 PHE 32 HB2 PHE 32 -19.636 13.684 -0.633 258 HB3 PHE 32 HB3 PHE 32 -19.771 13.243 -2.332 259 HD1 PHE 32 HD1 PHE 32 -19.296 14.975 -4.080 260 HD2 PHE 32 HD2 PHE 32 -18.416 15.571 0.041 261 HE1 PHE 32 HE1 PHE 32 -17.751 16.793 -4.676 262 HE2 PHE 32 HE2 PHE 32 -16.869 17.391 -0.549 263 HZ PHE 32 HZ PHE 32 -16.536 18.006 -2.910 264 H GLY 33 H GLY 33 -21.830 13.216 -3.770 265 HA2 GLY 33 HA2 GLY 33 -21.506 15.239 -5.671 266 HA3 GLY 33 HA3 GLY 33 -22.414 13.754 -5.922 267 H LYS 34 H LYS 34 -24.399 14.188 -3.938 268 HA LYS 34 HA LYS 34 -26.363 15.492 -5.353 269 HB2 LYS 34 HB2 LYS 34 -26.026 14.738 -2.493 270 HB3 LYS 34 HB3 LYS 34 -27.340 15.836 -2.895 271 HG2 LYS 34 HG2 LYS 34 -28.205 14.197 -4.499 272 HG3 LYS 34 HG3 LYS 34 -26.900 13.093 -4.059 273 HD2 LYS 34 HD2 LYS 34 -27.726 13.100 -1.731 274 HD3 LYS 34 HD3 LYS 34 -29.067 14.131 -2.233 275 HE2 LYS 34 HE2 LYS 34 -29.884 12.404 -3.716 276 HE3 LYS 34 HE3 LYS 34 -28.493 11.387 -3.346 277 HZ1 LYS 34 HZ1 LYS 34 -30.903 11.365 -2.057 278 HZ2 LYS 34 HZ2 LYS 34 -29.885 12.192 -0.988 279 HZ3 LYS 34 HZ3 LYS 34 -29.474 10.638 -1.517 280 H LEU 35 H LEU 35 -23.952 16.841 -3.231 281 HA LEU 35 HA LEU 35 -25.220 19.472 -3.310 282 HB2 LEU 35 HB2 LEU 35 -22.612 18.848 -1.976 283 HB3 LEU 35 HB3 LEU 35 -23.770 20.121 -1.598 284 HG LEU 35 HG LEU 35 -24.058 17.176 -1.012 285 HD11 LEU 35 HD11 LEU 35 -24.156 18.053 1.343 286 HD12 LEU 35 HD12 LEU 35 -23.614 19.605 0.707 287 HD13 LEU 35 HD13 LEU 35 -22.586 18.182 0.551 288 HD21 LEU 35 HD21 LEU 35 -26.010 19.425 -0.966 289 HD22 LEU 35 HD22 LEU 35 -26.101 18.195 0.295 290 HD23 LEU 35 HD23 LEU 35 -26.245 17.733 -1.402 291 H ALA 36 H ALA 36 -22.577 17.690 -4.681 292 HA ALA 36 HA ALA 36 -21.126 19.964 -5.642 293 HB1 ALA 36 HB1 ALA 36 -19.632 18.464 -6.559 294 HB2 ALA 36 HB2 ALA 36 -20.301 17.534 -5.216 295 HB3 ALA 36 HB3 ALA 36 -20.874 17.248 -6.859 296 H LYS 37 H LYS 37 -23.904 18.263 -6.680 297 HA LYS 37 HA LYS 37 -23.652 18.968 -9.471 298 HB2 LYS 37 HB2 LYS 37 -24.984 16.984 -8.210 299 HB3 LYS 37 HB3 LYS 37 -26.286 18.152 -8.390 300 HG2 LYS 37 HG2 LYS 37 -25.383 18.233 -10.873 301 HG3 LYS 37 HG3 LYS 37 -24.806 16.619 -10.454 302 HD2 LYS 37 HD2 LYS 37 -27.595 17.252 -9.707 303 HD3 LYS 37 HD3 LYS 37 -27.260 17.106 -11.434 304 HE2 LYS 37 HE2 LYS 37 -26.341 15.028 -9.474 305 HE3 LYS 37 HE3 LYS 37 -27.968 14.997 -10.151 306 HZ1 LYS 37 HZ1 LYS 37 -25.989 13.738 -11.294 307 HZ2 LYS 37 HZ2 LYS 37 -25.714 15.250 -11.999 308 HZ3 LYS 37 HZ3 LYS 37 -27.202 14.476 -12.214 309 H GLU 38 H GLU 38 -24.242 20.760 -6.830 310 HA GLU 38 HA GLU 38 -25.860 22.676 -8.355 311 HB2 GLU 38 HB2 GLU 38 -26.278 22.231 -5.404 312 HB3 GLU 38 HB3 GLU 38 -27.270 23.172 -6.509 313 HG2 GLU 38 HG2 GLU 38 -27.512 20.809 -7.692 314 HG3 GLU 38 HG3 GLU 38 -27.184 20.250 -6.053 315 H LEU 39 H LEU 39 -24.046 22.301 -5.306 316 HA LEU 39 HA LEU 39 -23.379 24.996 -4.987 317 HB2 LEU 39 HB2 LEU 39 -21.916 22.520 -4.091 318 HB3 LEU 39 HB3 LEU 39 -21.537 24.151 -3.544 319 HG LEU 39 HG LEU 39 -24.056 22.585 -3.003 320 HD11 LEU 39 HD11 LEU 39 -23.026 23.450 -0.627 321 HD12 LEU 39 HD12 LEU 39 -21.570 23.089 -1.553 322 HD13 LEU 39 HD13 LEU 39 -22.795 21.843 -1.314 323 HD21 LEU 39 HD21 LEU 39 -23.450 25.479 -2.798 324 HD22 LEU 39 HD22 LEU 39 -24.337 24.739 -1.466 325 HD23 LEU 39 HD23 LEU 39 -24.980 24.658 -3.106 326 H SER 40 H SER 40 -21.476 22.357 -6.433 327 HA SER 40 HA SER 40 -19.192 23.734 -7.100 328 HB2 SER 40 HB2 SER 40 -19.937 21.220 -7.489 329 HB3 SER 40 HB3 SER 40 -20.294 21.818 -9.110 330 HG SER 40 HG SER 40 -18.033 20.994 -8.441 331 H ILE 41 H ILE 41 -19.187 25.713 -7.974 332 HA ILE 41 HA ILE 41 -21.099 26.531 -9.956 333 HB ILE 41 HB ILE 41 -19.751 28.629 -10.042 334 HG12 ILE 41 HG12 ILE 41 -18.217 27.957 -7.637 335 HG13 ILE 41 HG13 ILE 41 -17.718 27.049 -9.061 336 HG21 ILE 41 HG21 ILE 41 -20.425 27.802 -7.226 337 HG22 ILE 41 HG22 ILE 41 -20.456 29.427 -7.909 338 HG23 ILE 41 HG23 ILE 41 -21.632 28.225 -8.441 339 HD11 ILE 41 HD11 ILE 41 -17.224 29.798 -8.361 340 HD12 ILE 41 HD12 ILE 41 -16.479 28.798 -9.609 341 HD13 ILE 41 HD13 ILE 41 -17.976 29.665 -9.950 342 H ASP 42 H ASP 42 -17.939 25.145 -9.969 343 HA ASP 42 HA ASP 42 -17.017 26.024 -12.473 344 HB2 ASP 42 HB2 ASP 42 -15.612 24.881 -10.768 345 HB3 ASP 42 HB3 ASP 42 -16.450 23.374 -11.129 346 H SER 43 H SER 43 -17.998 25.769 -14.360 347 HA SER 43 HA SER 43 -20.128 24.117 -14.931 348 HB2 SER 43 HB2 SER 43 -19.075 26.068 -16.304 349 HB3 SER 43 HB3 SER 43 -18.130 24.792 -17.071 350 HG SER 43 HG SER 43 -20.743 25.459 -17.417 351 H GLY 44 H GLY 44 -16.680 23.446 -15.206 352 HA2 GLY 44 HA2 GLY 44 -17.207 20.800 -16.320 353 HA3 GLY 44 HA3 GLY 44 -15.628 21.532 -16.078 354 H SER 45 H SER 45 -18.271 21.096 -13.755 355 HA SER 45 HA SER 45 -16.890 18.954 -12.400 356 HB2 SER 45 HB2 SER 45 -17.340 21.469 -10.803 357 HB3 SER 45 HB3 SER 45 -16.362 20.062 -10.387 358 HG SER 45 HG SER 45 -15.019 21.737 -11.051 359 H ALA 46 H ALA 46 -19.443 21.406 -12.224 360 HA ALA 46 HA ALA 46 -21.093 20.038 -10.392 361 HB1 ALA 46 HB1 ALA 46 -22.508 21.776 -10.632 362 HB2 ALA 46 HB2 ALA 46 -21.136 22.508 -11.466 363 HB3 ALA 46 HB3 ALA 46 -22.426 21.741 -12.394 364 H LYS 47 H LYS 47 -20.353 19.390 -13.633 365 HA LYS 47 HA LYS 47 -22.857 18.029 -14.208 366 HB2 LYS 47 HB2 LYS 47 -21.318 19.362 -15.866 367 HB3 LYS 47 HB3 LYS 47 -20.432 17.844 -15.955 368 HG2 LYS 47 HG2 LYS 47 -21.867 17.546 -17.688 369 HG3 LYS 47 HG3 LYS 47 -22.848 16.869 -16.387 370 HD2 LYS 47 HD2 LYS 47 -24.271 18.675 -16.337 371 HD3 LYS 47 HD3 LYS 47 -23.057 19.783 -16.982 372 HE2 LYS 47 HE2 LYS 47 -23.406 19.092 -19.167 373 HE3 LYS 47 HE3 LYS 47 -24.106 17.551 -18.675 374 HZ1 LYS 47 HZ1 LYS 47 -26.131 18.431 -18.623 375 HZ2 LYS 47 HZ2 LYS 47 -25.490 19.772 -19.430 376 HZ3 LYS 47 HZ3 LYS 47 -25.627 19.787 -17.744 377 H LYS 48 H LYS 48 -19.781 17.322 -12.897 378 HA LYS 48 HA LYS 48 -20.306 14.433 -13.164 379 HB2 LYS 48 HB2 LYS 48 -17.772 14.258 -12.709 380 HB3 LYS 48 HB3 LYS 48 -18.298 14.755 -14.313 381 HG2 LYS 48 HG2 LYS 48 -17.786 16.901 -12.342 382 HG3 LYS 48 HG3 LYS 48 -16.388 16.021 -12.963 383 HD2 LYS 48 HD2 LYS 48 -18.447 17.025 -14.876 384 HD3 LYS 48 HD3 LYS 48 -17.280 18.160 -14.193 385 HE2 LYS 48 HE2 LYS 48 -16.437 15.577 -15.477 386 HE3 LYS 48 HE3 LYS 48 -16.684 17.050 -16.414 387 HZ1 LYS 48 HZ1 LYS 48 -14.430 16.298 -14.942 388 HZ2 LYS 48 HZ2 LYS 48 -15.087 17.669 -14.199 389 HZ3 LYS 48 HZ3 LYS 48 -14.668 17.713 -15.837 390 H ASN 49 H ASN 49 -21.262 16.335 -11.115 391 HA ASN 49 HA ASN 49 -21.460 16.528 -8.852 392 HB2 ASN 49 HB2 ASN 49 -20.706 13.618 -9.145 393 HB3 ASN 49 HB3 ASN 49 -21.187 14.328 -7.607 394 HD21 ASN 49 HD21 ASN 49 -23.292 15.593 -7.737 395 HD22 ASN 49 HD22 ASN 49 -24.576 14.840 -8.613 396 H GLY 50 H GLY 50 -18.889 17.252 -9.987 397 HA2 GLY 50 HA2 GLY 50 -16.758 17.793 -9.323 398 HA3 GLY 50 HA3 GLY 50 -17.437 17.813 -7.702 399 H ASN 51 H ASN 51 -17.439 14.900 -9.606 400 HA ASN 51 HA ASN 51 -15.565 13.713 -7.687 401 HB2 ASN 51 HB2 ASN 51 -17.964 12.791 -8.294 402 HB3 ASN 51 HB3 ASN 51 -17.109 12.080 -9.661 403 HD21 ASN 51 HD21 ASN 51 -14.936 11.047 -8.924 404 HD22 ASN 51 HD22 ASN 51 -15.067 9.988 -7.565 405 H LEU 52 H LEU 52 -13.702 14.633 -8.727 406 HA LEU 52 HA LEU 52 -13.050 14.115 -11.435 407 HB2 LEU 52 HB2 LEU 52 -10.750 14.758 -10.752 408 HB3 LEU 52 HB3 LEU 52 -11.991 15.931 -10.318 409 HG LEU 52 HG LEU 52 -11.893 14.647 -8.008 410 HD11 LEU 52 HD11 LEU 52 -9.880 13.335 -9.382 411 HD12 LEU 52 HD12 LEU 52 -10.147 13.322 -7.640 412 HD13 LEU 52 HD13 LEU 52 -9.024 14.481 -8.350 413 HD21 LEU 52 HD21 LEU 52 -11.066 17.069 -8.928 414 HD22 LEU 52 HD22 LEU 52 -9.561 16.400 -8.297 415 HD23 LEU 52 HD23 LEU 52 -10.971 16.545 -7.246 416 H GLY 53 H GLY 53 -13.129 12.106 -8.729 417 HA2 GLY 53 HA2 GLY 53 -12.623 9.865 -8.534 418 HA3 GLY 53 HA3 GLY 53 -12.081 9.892 -10.206 419 H TYR 54 H TYR 54 -10.074 9.150 -10.314 420 HA TYR 54 HA TYR 54 -8.237 9.531 -8.099 421 HB2 TYR 54 HB2 TYR 54 -8.404 7.761 -10.451 422 HB3 TYR 54 HB3 TYR 54 -6.773 8.256 -10.011 423 HD1 TYR 54 HD1 TYR 54 -9.704 7.534 -7.824 424 HD2 TYR 54 HD2 TYR 54 -5.801 6.370 -9.055 425 HE1 TYR 54 HE1 TYR 54 -9.666 5.820 -6.061 426 HE2 TYR 54 HE2 TYR 54 -5.753 4.652 -7.295 427 HH TYR 54 HH TYR 54 -8.190 3.409 -5.870 428 H PHE 55 H PHE 55 -6.481 10.832 -8.085 429 HA PHE 55 HA PHE 55 -5.729 12.230 -10.544 430 HB2 PHE 55 HB2 PHE 55 -6.010 14.364 -9.707 431 HB3 PHE 55 HB3 PHE 55 -7.374 13.537 -8.962 432 HD1 PHE 55 HD2 PHE 55 -6.372 12.190 -6.695 433 HD2 PHE 55 HD1 PHE 55 -5.132 15.934 -8.294 434 HE1 PHE 55 HE2 PHE 55 -5.570 12.871 -4.471 435 HE2 PHE 55 HE1 PHE 55 -4.327 16.621 -6.072 436 HZ PHE 55 HZ PHE 55 -4.546 15.088 -4.157 437 H THR 56 H THR 56 -3.741 13.746 -9.913 438 HA THR 56 HA THR 56 -1.987 12.432 -7.988 439 HB THR 56 HB THR 56 -0.198 12.042 -9.527 440 HG1 THR 56 HG1 THR 56 -0.200 13.487 -11.106 441 HG21 THR 56 HG21 THR 56 -1.218 10.402 -11.093 442 HG22 THR 56 HG22 THR 56 -2.809 11.020 -10.646 443 HG23 THR 56 HG23 THR 56 -1.795 10.236 -9.436 444 H LYS 57 H LYS 57 0.280 13.614 -8.143 445 HA LYS 57 HA LYS 57 -0.266 16.379 -7.598 446 HB2 LYS 57 HB2 LYS 57 2.438 15.046 -7.737 447 HB3 LYS 57 HB3 LYS 57 2.012 16.516 -6.871 448 HG2 LYS 57 HG2 LYS 57 0.324 14.816 -5.683 449 HG3 LYS 57 HG3 LYS 57 1.609 13.689 -6.126 450 HD2 LYS 57 HD2 LYS 57 3.174 15.503 -5.099 451 HD3 LYS 57 HD3 LYS 57 1.702 16.051 -4.294 452 HE2 LYS 57 HE2 LYS 57 2.733 14.554 -2.792 453 HE3 LYS 57 HE3 LYS 57 1.401 13.658 -3.519 454 HZ1 LYS 57 HZ1 LYS 57 3.381 12.306 -3.435 455 HZ2 LYS 57 HZ2 LYS 57 4.261 13.466 -4.293 456 HZ3 LYS 57 HZ3 LYS 57 2.993 12.640 -5.047 457 H GLY 58 H GLY 58 -0.528 17.779 -9.216 458 HA2 GLY 58 HA2 GLY 58 0.830 19.127 -10.799 459 HA3 GLY 58 HA3 GLY 58 1.337 17.598 -11.502 460 H MET 59 H MET 59 -1.892 17.505 -10.559 461 HA MET 59 HA MET 59 -2.748 18.056 -13.324 462 HB2 MET 59 HB2 MET 59 -4.088 16.205 -11.350 463 HB3 MET 59 HB3 MET 59 -4.474 16.395 -13.054 464 HG2 MET 59 HG2 MET 59 -1.889 15.705 -13.247 465 HG3 MET 59 HG3 MET 59 -2.315 14.873 -11.753 466 HE1 MET 59 HE1 MET 59 -2.193 14.997 -15.352 467 HE2 MET 59 HE2 MET 59 -3.215 13.704 -15.978 468 HE3 MET 59 HE3 MET 59 -3.922 15.268 -15.570 469 H MET 60 H MET 60 -2.754 19.424 -10.396 470 HA MET 60 HA MET 60 -5.269 20.832 -10.926 471 HB2 MET 60 HB2 MET 60 -4.441 19.921 -8.166 472 HB3 MET 60 HB3 MET 60 -5.915 20.781 -8.594 473 HG2 MET 60 HG2 MET 60 -5.282 18.092 -9.750 474 HG3 MET 60 HG3 MET 60 -6.056 18.266 -8.176 475 HE1 MET 60 HE1 MET 60 -6.881 16.673 -10.417 476 HE2 MET 60 HE2 MET 60 -8.628 16.900 -10.507 477 HE3 MET 60 HE3 MET 60 -7.597 17.460 -11.825 478 H VAL 61 H VAL 61 -5.270 22.599 -8.855 479 HA VAL 61 HA VAL 61 -2.930 24.229 -9.488 480 HB VAL 61 HB VAL 61 -4.150 26.106 -8.612 481 HG11 VAL 61 HG11 VAL 61 -4.770 24.911 -10.882 482 HG12 VAL 61 HG12 VAL 61 -6.319 24.682 -10.067 483 HG13 VAL 61 HG13 VAL 61 -5.677 26.307 -10.302 484 HG21 VAL 61 HG21 VAL 61 -6.264 24.130 -7.757 485 HG22 VAL 61 HG22 VAL 61 -5.166 24.996 -6.682 486 HG23 VAL 61 HG23 VAL 61 -6.369 25.885 -7.617 487 H LYS 62 H LYS 62 -2.126 25.652 -7.644 488 HA LYS 62 HA LYS 62 -0.950 24.064 -5.676 489 HB2 LYS 62 HB2 LYS 62 0.245 25.990 -5.955 490 HB3 LYS 62 HB3 LYS 62 -1.193 26.976 -6.184 491 HG2 LYS 62 HG2 LYS 62 -1.569 27.154 -3.870 492 HG3 LYS 62 HG3 LYS 62 -0.433 25.853 -3.507 493 HD2 LYS 62 HD2 LYS 62 1.432 27.211 -4.127 494 HD3 LYS 62 HD3 LYS 62 0.373 28.466 -4.776 495 HE2 LYS 62 HE2 LYS 62 1.237 29.117 -2.599 496 HE3 LYS 62 HE3 LYS 62 -0.507 28.875 -2.525 497 HZ1 LYS 62 HZ1 LYS 62 -0.257 27.298 -1.005 498 HZ2 LYS 62 HZ2 LYS 62 1.375 27.732 -0.891 499 HZ3 LYS 62 HZ3 LYS 62 0.902 26.477 -1.923 500 HA PRO 63 HA PRO 63 -4.140 25.847 -2.517 501 HB2 PRO 63 HB2 PRO 63 -6.252 27.226 -3.520 502 HB3 PRO 63 HB3 PRO 63 -4.725 27.997 -3.077 503 HG2 PRO 63 HG2 PRO 63 -5.714 27.165 -5.777 504 HG3 PRO 63 HG3 PRO 63 -4.882 28.657 -5.301 505 HD2 PRO 63 HD2 PRO 63 -3.603 26.600 -6.510 506 HD3 PRO 63 HD3 PRO 63 -2.805 27.658 -5.330 507 H PHE 64 H PHE 64 -4.176 23.429 -3.925 508 HA PHE 64 HA PHE 64 -6.774 22.470 -3.264 509 HB2 PHE 64 HB2 PHE 64 -7.361 23.420 -5.426 510 HB3 PHE 64 HB3 PHE 64 -6.022 22.571 -6.193 511 HD1 PHE 64 HD2 PHE 64 -6.097 20.111 -6.428 512 HD2 PHE 64 HD1 PHE 64 -9.424 22.342 -4.994 513 HE1 PHE 64 HE2 PHE 64 -7.572 18.196 -6.882 514 HE2 PHE 64 HE1 PHE 64 -10.906 20.430 -5.444 515 HZ PHE 64 HZ PHE 64 -9.980 18.353 -6.391 516 H GLU 65 H GLU 65 -4.125 21.643 -5.510 517 HA GLU 65 HA GLU 65 -4.139 18.907 -5.154 518 HB2 GLU 65 HB2 GLU 65 -2.791 19.921 -6.874 519 HB3 GLU 65 HB3 GLU 65 -1.811 20.759 -5.679 520 HG2 GLU 65 HG2 GLU 65 -1.044 18.542 -4.849 521 HG3 GLU 65 HG3 GLU 65 -1.908 17.798 -6.193 522 H ASP 66 H ASP 66 -2.289 21.325 -3.319 523 HA ASP 66 HA ASP 66 -0.918 19.614 -1.619 524 HB2 ASP 66 HB2 ASP 66 -0.630 22.119 -1.839 525 HB3 ASP 66 HB3 ASP 66 -2.037 22.295 -0.795 526 H ALA 67 H ALA 67 -4.170 20.976 -1.281 527 HA ALA 67 HA ALA 67 -4.596 19.302 1.096 528 HB1 ALA 67 HB1 ALA 67 -6.443 20.716 1.641 529 HB2 ALA 67 HB2 ALA 67 -5.070 21.750 1.242 530 HB3 ALA 67 HB3 ALA 67 -6.366 21.513 0.069 531 H ALA 68 H ALA 68 -4.517 18.079 -1.464 532 HA ALA 68 HA ALA 68 -7.343 17.325 -1.834 533 HB1 ALA 68 HB1 ALA 68 -5.072 17.393 -3.805 534 HB2 ALA 68 HB2 ALA 68 -6.589 16.548 -4.117 535 HB3 ALA 68 HB3 ALA 68 -6.589 18.292 -3.855 536 H PHE 69 H PHE 69 -4.198 16.258 -0.984 537 HA PHE 69 HA PHE 69 -5.178 13.484 -0.875 538 HB2 PHE 69 HB2 PHE 69 -2.680 12.877 -1.152 539 HB3 PHE 69 HB3 PHE 69 -3.582 13.365 -2.583 540 HD1 PHE 69 HD2 PHE 69 -1.661 15.036 0.151 541 HD2 PHE 69 HD1 PHE 69 -2.467 14.748 -4.019 542 HE1 PHE 69 HE2 PHE 69 -0.001 16.799 -0.288 543 HE2 PHE 69 HE1 PHE 69 -0.807 16.509 -4.465 544 HZ PHE 69 HZ PHE 69 0.427 17.538 -2.598 545 H LYS 70 H LYS 70 -4.352 16.084 0.898 546 HA LYS 70 HA LYS 70 -2.877 14.679 2.978 547 HB2 LYS 70 HB2 LYS 70 -2.452 16.760 3.935 548 HB3 LYS 70 HB3 LYS 70 -2.481 17.119 2.214 549 HG2 LYS 70 HG2 LYS 70 -4.824 17.871 2.450 550 HG3 LYS 70 HG3 LYS 70 -4.701 17.603 4.191 551 HD2 LYS 70 HD2 LYS 70 -2.779 19.200 4.222 552 HD3 LYS 70 HD3 LYS 70 -3.113 19.553 2.525 553 HE2 LYS 70 HE2 LYS 70 -4.269 21.243 3.579 554 HE3 LYS 70 HE3 LYS 70 -5.528 20.021 3.393 555 HZ1 LYS 70 HZ1 LYS 70 -5.830 20.265 5.571 556 HZ2 LYS 70 HZ2 LYS 70 -4.376 21.102 5.785 557 HZ3 LYS 70 HZ3 LYS 70 -4.385 19.409 5.782 558 H LEU 71 H LEU 71 -5.895 14.446 2.135 559 HA LEU 71 HA LEU 71 -7.124 14.935 4.741 560 HB2 LEU 71 HB2 LEU 71 -8.574 13.781 2.400 561 HB3 LEU 71 HB3 LEU 71 -9.187 14.795 3.705 562 HG LEU 71 HG LEU 71 -7.377 15.781 1.503 563 HD11 LEU 71 HD11 LEU 71 -10.362 16.100 1.766 564 HD12 LEU 71 HD12 LEU 71 -9.558 15.010 0.639 565 HD13 LEU 71 HD13 LEU 71 -9.335 16.753 0.490 566 HD21 LEU 71 HD21 LEU 71 -7.773 17.934 2.325 567 HD22 LEU 71 HD22 LEU 71 -7.475 16.965 3.769 568 HD23 LEU 71 HD23 LEU 71 -9.125 17.404 3.324 569 H GLN 72 H GLN 72 -8.885 13.115 5.220 570 HA GLN 72 HA GLN 72 -7.343 10.648 5.493 571 HB2 GLN 72 HB2 GLN 72 -9.820 11.674 6.875 572 HB3 GLN 72 HB3 GLN 72 -9.206 10.042 7.106 573 HG2 GLN 72 HG2 GLN 72 -7.046 11.046 7.852 574 HG3 GLN 72 HG3 GLN 72 -7.831 12.624 7.796 575 HE21 GLN 72 HE21 GLN 72 -7.851 9.477 9.338 576 HE22 GLN 72 HE22 GLN 72 -8.668 9.976 10.775 577 H VAL 73 H VAL 73 -9.135 8.702 5.736 578 HA VAL 73 HA VAL 73 -10.060 8.342 3.024 579 HB VAL 73 HB VAL 73 -10.250 6.486 5.401 580 HG11 VAL 73 HG11 VAL 73 -10.271 5.135 2.898 581 HG12 VAL 73 HG12 VAL 73 -11.516 5.162 4.148 582 HG13 VAL 73 HG13 VAL 73 -11.521 6.379 2.871 583 HG21 VAL 73 HG21 VAL 73 -8.109 7.113 3.504 584 HG22 VAL 73 HG22 VAL 73 -8.031 6.352 5.093 585 HG23 VAL 73 HG23 VAL 73 -8.447 5.390 3.674 586 H GLY 74 H GLY 74 -11.793 9.759 2.780 587 HA2 GLY 74 HA2 GLY 74 -14.164 9.782 2.592 588 HA3 GLY 74 HA3 GLY 74 -14.263 8.844 4.074 589 H GLU 75 H GLU 75 -12.153 11.595 3.901 590 HA GLU 75 HA GLU 75 -13.981 13.039 5.702 591 HB2 GLU 75 HB2 GLU 75 -11.640 12.264 6.489 592 HB3 GLU 75 HB3 GLU 75 -11.032 13.576 5.489 593 HG2 GLU 75 HG2 GLU 75 -11.196 14.388 7.707 594 HG3 GLU 75 HG3 GLU 75 -12.495 15.133 6.777 595 H VAL 76 H VAL 76 -14.110 15.338 5.519 596 HA VAL 76 HA VAL 76 -13.740 16.250 2.756 597 HB VAL 76 HB VAL 76 -15.420 17.425 4.977 598 HG11 VAL 76 HG11 VAL 76 -15.190 18.214 2.075 599 HG12 VAL 76 HG12 VAL 76 -16.359 18.866 3.223 600 HG13 VAL 76 HG13 VAL 76 -14.636 19.153 3.460 601 HG21 VAL 76 HG21 VAL 76 -17.324 16.602 3.728 602 HG22 VAL 76 HG22 VAL 76 -16.261 15.954 2.479 603 HG23 VAL 76 HG23 VAL 76 -16.237 15.266 4.102 604 H SER 77 H SER 77 -12.369 17.840 2.229 605 HA SER 77 HA SER 77 -10.456 18.750 4.129 606 HB2 SER 77 HB2 SER 77 -10.200 18.398 1.562 607 HB3 SER 77 HB3 SER 77 -10.845 20.035 1.441 608 HG SER 77 HG SER 77 -8.904 20.683 1.873 609 H GLU 78 H GLU 78 -9.996 21.387 3.490 610 HA GLU 78 HA GLU 78 -12.299 22.688 4.768 611 HB2 GLU 78 HB2 GLU 78 -10.488 24.540 5.122 612 HB3 GLU 78 HB3 GLU 78 -10.496 23.111 6.148 613 HG2 GLU 78 HG2 GLU 78 -8.744 22.108 4.788 614 HG3 GLU 78 HG3 GLU 78 -8.745 23.520 3.733 615 HA PRO 79 HA PRO 79 -13.190 25.237 1.313 616 HB2 PRO 79 HB2 PRO 79 -13.732 27.632 2.469 617 HB3 PRO 79 HB3 PRO 79 -14.816 26.240 2.589 618 HG2 PRO 79 HG2 PRO 79 -12.816 27.261 4.570 619 HG3 PRO 79 HG3 PRO 79 -14.468 26.679 4.846 620 HD2 PRO 79 HD2 PRO 79 -12.287 25.144 5.309 621 HD3 PRO 79 HD3 PRO 79 -13.836 24.464 4.770 622 H ILE 80 H ILE 80 -10.997 25.149 0.460 623 HA ILE 80 HA ILE 80 -9.111 27.201 1.153 624 HB ILE 80 HB ILE 80 -9.069 25.417 -1.280 625 HG12 ILE 80 HG12 ILE 80 -9.271 24.139 0.859 626 HG13 ILE 80 HG13 ILE 80 -7.762 23.844 0.002 627 HG21 ILE 80 HG21 ILE 80 -7.107 27.227 0.042 628 HG22 ILE 80 HG22 ILE 80 -6.522 25.780 -0.778 629 HG23 ILE 80 HG23 ILE 80 -7.443 26.989 -1.672 630 HD11 ILE 80 HD11 ILE 80 -8.126 25.653 2.378 631 HD12 ILE 80 HD12 ILE 80 -7.380 24.055 2.382 632 HD13 ILE 80 HD13 ILE 80 -6.614 25.383 1.513 633 H LYS 81 H LYS 81 -9.505 29.250 0.627 634 HA LYS 81 HA LYS 81 -11.153 30.019 -1.572 635 HB2 LYS 81 HB2 LYS 81 -10.914 31.329 0.542 636 HB3 LYS 81 HB3 LYS 81 -9.276 31.742 0.055 637 HG2 LYS 81 HG2 LYS 81 -10.088 33.501 -1.007 638 HG3 LYS 81 HG3 LYS 81 -10.914 32.407 -2.119 639 HD2 LYS 81 HD2 LYS 81 -12.878 32.394 -0.733 640 HD3 LYS 81 HD3 LYS 81 -12.050 33.315 0.524 641 HE2 LYS 81 HE2 LYS 81 -13.574 34.697 -0.849 642 HE3 LYS 81 HE3 LYS 81 -11.897 35.237 -0.922 643 HZ1 LYS 81 HZ1 LYS 81 -11.665 34.518 -3.076 644 HZ2 LYS 81 HZ2 LYS 81 -13.277 35.029 -3.085 645 HZ3 LYS 81 HZ3 LYS 81 -12.914 33.382 -2.965 646 H SER 82 H SER 82 -10.533 29.905 -3.621 647 HA SER 82 HA SER 82 -7.802 30.753 -4.310 648 HB2 SER 82 HB2 SER 82 -8.094 28.237 -4.381 649 HB3 SER 82 HB3 SER 82 -9.244 28.485 -5.695 650 HG SER 82 HG SER 82 -7.314 28.178 -6.678 651 H GLU 83 H GLU 83 -7.849 30.718 -6.976 652 HA GLU 83 HA GLU 83 -9.275 33.016 -7.675 653 HB2 GLU 83 HB2 GLU 83 -8.643 32.480 -10.002 654 HB3 GLU 83 HB3 GLU 83 -7.289 32.341 -8.889 655 HG2 GLU 83 HG2 GLU 83 -8.111 29.812 -8.836 656 HG3 GLU 83 HG3 GLU 83 -8.697 30.255 -10.439 657 H PHE 84 H PHE 84 -10.204 29.684 -7.685 658 HA PHE 84 HA PHE 84 -12.575 30.228 -9.305 659 HB2 PHE 84 HB2 PHE 84 -11.771 27.582 -8.096 660 HB3 PHE 84 HB3 PHE 84 -12.883 27.866 -9.431 661 HD1 PHE 84 HD1 PHE 84 -11.668 29.360 -11.379 662 HD2 PHE 84 HD2 PHE 84 -9.776 26.650 -8.699 663 HE1 PHE 84 HE1 PHE 84 -9.822 29.071 -12.981 664 HE2 PHE 84 HE2 PHE 84 -7.928 26.357 -10.295 665 HZ PHE 84 HZ PHE 84 -7.948 27.569 -12.438 666 H GLY 85 H GLY 85 -11.602 30.002 -6.045 667 HA2 GLY 85 HA2 GLY 85 -13.303 30.943 -4.486 668 HA3 GLY 85 HA3 GLY 85 -14.428 29.799 -5.202 669 H TYR 86 H TYR 86 -14.798 29.053 -3.020 670 HA TYR 86 HA TYR 86 -12.689 27.841 -1.522 671 HB2 TYR 86 HB2 TYR 86 -15.695 27.648 -1.257 672 HB3 TYR 86 HB3 TYR 86 -14.552 26.963 -0.107 673 HD1 TYR 86 HD2 TYR 86 -12.696 28.769 0.681 674 HD2 TYR 86 HD1 TYR 86 -16.619 29.677 -0.691 675 HE1 TYR 86 HE2 TYR 86 -12.614 30.914 1.882 676 HE2 TYR 86 HE1 TYR 86 -16.547 31.824 0.505 677 HH TYR 86 HH TYR 86 -14.185 33.379 1.355 678 H HIS 87 H HIS 87 -11.801 25.920 -1.849 679 HA HIS 87 HA HIS 87 -13.171 23.997 -3.583 680 HB2 HIS 87 HB2 HIS 87 -10.293 24.294 -2.731 681 HB3 HIS 87 HB3 HIS 87 -10.885 22.864 -3.572 682 HD1 HIS 87 HD1 HIS 87 -11.310 23.062 -6.075 683 HD2 HIS 87 HD2 HIS 87 -10.228 26.658 -4.299 684 HE1 HIS 87 HE1 HIS 87 -10.850 24.640 -7.978 685 H ILE 88 H ILE 88 -14.117 22.257 -2.759 686 HA ILE 88 HA ILE 88 -13.386 21.429 -0.028 687 HB ILE 88 HB ILE 88 -16.026 21.063 -1.449 688 HG12 ILE 88 HG12 ILE 88 -15.659 23.382 -0.779 689 HG13 ILE 88 HG13 ILE 88 -16.883 22.641 0.245 690 HG21 ILE 88 HG21 ILE 88 -14.863 19.726 0.812 691 HG22 ILE 88 HG22 ILE 88 -16.302 20.619 1.301 692 HG23 ILE 88 HG23 ILE 88 -16.402 19.427 0.004 693 HD11 ILE 88 HD11 ILE 88 -14.067 23.381 0.920 694 HD12 ILE 88 HD12 ILE 88 -15.566 23.845 1.724 695 HD13 ILE 88 HD13 ILE 88 -14.957 22.198 1.877 696 H ILE 89 H ILE 89 -11.736 20.025 -0.742 697 HA ILE 89 HA ILE 89 -12.375 17.878 -2.570 698 HB ILE 89 HB ILE 89 -9.890 18.103 -0.881 699 HG12 ILE 89 HG12 ILE 89 -9.266 19.033 -3.427 700 HG13 ILE 89 HG13 ILE 89 -10.805 19.806 -3.062 701 HG21 ILE 89 HG21 ILE 89 -9.689 17.064 -3.595 702 HG22 ILE 89 HG22 ILE 89 -9.098 16.391 -2.076 703 HG23 ILE 89 HG23 ILE 89 -10.770 16.121 -2.569 704 HD11 ILE 89 HD11 ILE 89 -9.410 20.171 -0.744 705 HD12 ILE 89 HD12 ILE 89 -8.152 20.301 -1.972 706 HD13 ILE 89 HD13 ILE 89 -9.567 21.350 -2.046 707 H LYS 90 H LYS 90 -13.035 15.889 -2.052 708 HA LYS 90 HA LYS 90 -12.809 15.013 0.748 709 HB2 LYS 90 HB2 LYS 90 -15.101 15.757 0.383 710 HB3 LYS 90 HB3 LYS 90 -15.231 14.734 -1.041 711 HG2 LYS 90 HG2 LYS 90 -14.664 12.818 0.634 712 HG3 LYS 90 HG3 LYS 90 -15.224 13.979 1.841 713 HD2 LYS 90 HD2 LYS 90 -17.375 14.094 0.875 714 HD3 LYS 90 HD3 LYS 90 -16.839 13.282 -0.599 715 HE2 LYS 90 HE2 LYS 90 -16.749 11.201 0.433 716 HE3 LYS 90 HE3 LYS 90 -16.666 11.898 2.050 717 HZ1 LYS 90 HZ1 LYS 90 -18.824 11.067 1.850 718 HZ2 LYS 90 HZ2 LYS 90 -19.022 11.659 0.278 719 HZ3 LYS 90 HZ3 LYS 90 -19.002 12.729 1.589 720 H ARG 91 H ARG 91 -11.909 13.071 0.974 721 HA ARG 91 HA ARG 91 -11.143 11.558 -1.336 722 HB2 ARG 91 HB2 ARG 91 -9.641 11.718 0.572 723 HB3 ARG 91 HB3 ARG 91 -10.847 10.975 1.614 724 HG2 ARG 91 HG2 ARG 91 -10.479 8.879 0.785 725 HG3 ARG 91 HG3 ARG 91 -9.932 9.477 -0.784 726 HD2 ARG 91 HD2 ARG 91 -7.802 9.966 0.008 727 HD3 ARG 91 HD3 ARG 91 -8.330 10.002 1.690 728 HE ARG 91 HE ARG 91 -8.751 7.436 1.002 729 HH11 ARG 91 HH11 ARG 91 -6.005 9.546 0.649 730 HH12 ARG 91 HH12 ARG 91 -4.842 8.267 0.764 731 HH21 ARG 91 HH21 ARG 91 -7.230 5.743 1.154 732 HH22 ARG 91 HH22 ARG 91 -5.540 6.103 1.050 733 H PHE 92 H PHE 92 -11.791 9.488 -1.924 734 HA PHE 92 HA PHE 92 -14.269 8.524 -0.657 735 HB2 PHE 92 HB2 PHE 92 -13.568 8.787 -3.569 736 HB3 PHE 92 HB3 PHE 92 -14.769 7.617 -3.032 737 HD1 PHE 92 HD1 PHE 92 -13.926 11.231 -2.701 738 HD2 PHE 92 HD2 PHE 92 -16.971 8.264 -2.903 739 HE1 PHE 92 HE1 PHE 92 -15.640 12.996 -2.708 740 HE2 PHE 92 HE2 PHE 92 -18.691 10.026 -2.911 741 HZ PHE 92 HZ PHE 92 -18.026 12.394 -2.812 742 H GLY 93 H GLY 93 -11.188 7.759 -2.086 743 HA2 GLY 93 HA2 GLY 93 -11.340 5.028 -2.448 744 HA3 GLY 93 HA3 GLY 93 -9.888 5.871 -1.931
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