NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
581682 | 2mmk | 19857 | 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 H1 GLY 1 -25.319 -46.407 -23.014 2 H2 GLY 1 H2 GLY 1 -26.879 -46.935 -23.409 3 H3 GLY 1 H3 GLY 1 -26.225 -45.589 -24.194 4 HA2 GLY 1 HA3 GLY 1 -27.137 -45.795 -21.393 5 HA3 GLY 1 HA2 GLY 1 -26.096 -44.470 -21.965 6 H SER 2 H SER 2 -29.235 -45.560 -21.550 7 HA SER 2 HA SER 2 -30.613 -44.513 -23.786 8 HB2 SER 2 HB2 SER 2 -32.593 -44.693 -22.330 9 HB3 SER 2 HB3 SER 2 -31.619 -46.182 -22.288 10 HG SER 2 HG SER 2 -32.259 -45.480 -20.205 11 H THR 3 H THR 3 -29.678 -43.207 -20.570 12 HA THR 3 HA THR 3 -30.842 -40.619 -21.138 13 HB THR 3 HB THR 3 -30.966 -41.595 -18.878 14 HG1 THR 3 HG1 THR 3 -30.997 -39.338 -19.268 15 HG21 THR 3 1HG2 THR 3 -27.959 -41.114 -18.911 16 HG22 THR 3 2HG2 THR 3 -28.928 -41.558 -17.486 17 HG23 THR 3 3HG2 THR 3 -28.760 -42.702 -18.839 18 H ALA 4 H ALA 4 -29.328 -38.634 -20.768 19 HA ALA 4 HA ALA 4 -27.149 -38.984 -22.648 20 HB1 ALA 4 HB1 ALA 4 -28.044 -36.489 -21.165 21 HB2 ALA 4 HB2 ALA 4 -26.810 -36.573 -22.444 22 HB3 ALA 4 HB3 ALA 4 -28.510 -36.942 -22.822 23 H MET 5 H MET 5 -25.255 -39.721 -21.934 24 HA MET 5 HA MET 5 -24.517 -39.260 -19.137 25 HB2 MET 5 HB2 MET 5 -23.335 -41.144 -21.246 26 HB3 MET 5 HB3 MET 5 -22.758 -40.978 -19.571 27 HG2 MET 5 HG2 MET 5 -25.535 -41.899 -20.422 28 HG3 MET 5 HG3 MET 5 -24.232 -42.939 -19.799 29 HE1 MET 5 HE1 MET 5 -23.021 -41.069 -17.513 30 HE2 MET 5 HE2 MET 5 -23.898 -41.711 -16.104 31 HE3 MET 5 HE3 MET 5 -23.280 -42.822 -17.348 32 H ALA 6 H ALA 6 -23.426 -37.274 -19.155 33 HA ALA 6 HA ALA 6 -22.219 -35.500 -19.781 34 HB1 ALA 6 HB1 ALA 6 -20.284 -37.568 -20.792 35 HB2 ALA 6 HB2 ALA 6 -19.954 -35.840 -20.524 36 HB3 ALA 6 HB3 ALA 6 -20.371 -36.890 -19.149 37 H THR 7 H THR 7 -24.308 -35.806 -21.401 38 HA THR 7 HA THR 7 -25.260 -34.993 -23.218 39 HB THR 7 HB THR 7 -24.348 -33.503 -24.710 40 HG1 THR 7 HG1 THR 7 -22.279 -34.447 -24.923 41 HG21 THR 7 1HG2 THR 7 -23.365 -33.020 -21.869 42 HG22 THR 7 2HG2 THR 7 -23.640 -31.768 -23.102 43 HG23 THR 7 3HG2 THR 7 -25.010 -32.710 -22.470 44 H THR 8 H THR 8 -22.170 -36.575 -24.350 45 HA THR 8 HA THR 8 -23.965 -37.758 -26.387 46 HB THR 8 HB THR 8 -21.012 -37.191 -26.645 47 HG1 THR 8 HG1 THR 8 -21.808 -35.614 -28.119 48 HG21 THR 8 1HG2 THR 8 -23.119 -38.147 -28.629 49 HG22 THR 8 2HG2 THR 8 -21.419 -37.783 -29.008 50 HG23 THR 8 3HG2 THR 8 -21.819 -39.144 -27.934 51 H MET 9 H MET 9 -23.899 -39.912 -26.716 52 HA MET 9 HA MET 9 -22.437 -41.539 -24.763 53 HB2 MET 9 HB2 MET 9 -24.981 -41.605 -24.797 54 HB3 MET 9 HB3 MET 9 -24.860 -42.340 -26.413 55 HG2 MET 9 HG2 MET 9 -25.133 -44.051 -24.683 56 HG3 MET 9 HG3 MET 9 -23.540 -44.194 -25.466 57 HE1 MET 9 HE1 MET 9 -22.213 -45.517 -23.899 58 HE2 MET 9 HE2 MET 9 -22.363 -45.434 -22.129 59 HE3 MET 9 HE3 MET 9 -23.768 -45.893 -23.120 60 H GLU 10 H GLU 10 -21.678 -43.525 -25.297 61 HA GLU 10 HA GLU 10 -20.480 -45.081 -26.277 62 HB2 GLU 10 HB2 GLU 10 -21.402 -44.061 -28.950 63 HB3 GLU 10 HB3 GLU 10 -20.554 -45.588 -28.603 64 HG2 GLU 10 HG2 GLU 10 -22.437 -46.272 -27.127 65 HG3 GLU 10 HG3 GLU 10 -23.290 -44.767 -27.545 66 H GLN 11 H GLN 11 -19.641 -41.832 -26.554 67 HA GLN 11 HA GLN 11 -17.071 -42.611 -27.724 68 HB2 GLN 11 HB2 GLN 11 -16.658 -40.258 -28.033 69 HB3 GLN 11 HB3 GLN 11 -18.088 -40.855 -28.909 70 HG2 GLN 11 HG2 GLN 11 -19.530 -39.880 -27.157 71 HG3 GLN 11 HG3 GLN 11 -18.080 -39.222 -26.363 72 HE21 GLN 11 1HE2 GLN 11 -17.413 -37.209 -26.986 73 HE22 GLN 11 2HE2 GLN 11 -17.871 -36.415 -28.476 74 H GLU 12 H GLU 12 -18.341 -42.892 -24.787 75 HA GLU 12 HA GLU 12 -17.588 -43.249 -22.749 76 HB2 GLU 12 HB2 GLU 12 -14.896 -43.505 -23.957 77 HB3 GLU 12 HB3 GLU 12 -15.365 -43.893 -22.285 78 HG2 GLU 12 HG2 GLU 12 -17.111 -45.448 -23.204 79 HG3 GLU 12 HG3 GLU 12 -16.461 -45.141 -24.832 80 H ILE 13 H ILE 13 -16.163 -42.544 -20.783 81 HA ILE 13 HA ILE 13 -15.810 -39.626 -21.049 82 HB ILE 13 HB ILE 13 -17.371 -41.033 -18.806 83 HG12 ILE 13 2HG1 ILE 13 -18.453 -39.139 -20.933 84 HG13 ILE 13 3HG1 ILE 13 -18.611 -40.910 -21.007 85 HG21 ILE 13 1HG2 ILE 13 -16.852 -38.082 -19.398 86 HG22 ILE 13 2HG2 ILE 13 -17.842 -38.712 -18.060 87 HG23 ILE 13 3HG2 ILE 13 -16.092 -39.030 -18.097 88 HD11 ILE 13 3HD1 ILE 13 -19.849 -40.890 -18.875 89 HD12 ILE 13 1HD1 ILE 13 -19.691 -39.118 -18.800 90 HD13 ILE 13 2HD1 ILE 13 -20.645 -39.872 -20.100 91 H CYS 14 H CYS 14 -13.797 -39.108 -19.976 92 HA CYS 14 HA CYS 14 -13.027 -40.758 -17.652 93 HB2 CYS 14 HB2 CYS 14 -11.528 -41.492 -19.356 94 HB3 CYS 14 HB3 CYS 14 -11.070 -39.810 -19.722 95 HG CYS 14 HG CYS 14 -9.183 -40.960 -18.314 96 H ALA 15 H ALA 15 -10.686 -38.284 -18.270 97 HA ALA 15 HA ALA 15 -11.895 -36.575 -16.264 98 HB1 ALA 15 HB1 ALA 15 -9.083 -36.686 -17.377 99 HB2 ALA 15 HB2 ALA 15 -9.664 -35.606 -16.088 100 HB3 ALA 15 HB3 ALA 15 -9.635 -37.366 -15.829 101 H HIS 16 H HIS 16 -9.834 -35.569 -19.244 102 HA HIS 16 HA HIS 16 -12.083 -33.753 -19.797 103 HB2 HIS 16 HB2 HIS 16 -10.852 -31.727 -19.838 104 HB3 HIS 16 HB3 HIS 16 -10.984 -32.417 -18.203 105 HD1 HIS 16 HD1 HIS 16 -8.813 -33.170 -17.097 106 HD2 HIS 16 HD2 HIS 16 -8.334 -31.353 -20.856 107 HE1 HIS 16 HE1 HIS 16 -6.347 -32.431 -17.278 108 H SER 17 H SER 17 -12.757 -34.387 -21.606 109 HA SER 17 HA SER 17 -12.905 -34.611 -23.800 110 HB2 SER 17 HB2 SER 17 -11.576 -31.913 -23.562 111 HB3 SER 17 HB3 SER 17 -12.506 -32.511 -24.957 112 HG SER 17 HG SER 17 -13.774 -31.275 -23.498 113 H MET 18 H MET 18 -11.148 -36.562 -23.649 114 HA MET 18 HA MET 18 -9.679 -35.956 -26.121 115 HB2 MET 18 HB2 MET 18 -8.130 -36.592 -23.750 116 HB3 MET 18 HB3 MET 18 -7.702 -37.320 -25.317 117 HG2 MET 18 HG2 MET 18 -6.462 -35.332 -25.201 118 HG3 MET 18 HG3 MET 18 -7.834 -34.945 -26.266 119 HE1 MET 18 HE1 MET 18 -7.276 -32.476 -26.195 120 HE2 MET 18 HE2 MET 18 -7.016 -31.551 -24.697 121 HE3 MET 18 HE3 MET 18 -5.874 -32.836 -25.159 122 H THR 19 H THR 19 -8.631 -38.975 -24.860 123 HA THR 19 HA THR 19 -10.387 -40.294 -26.760 124 HB THR 19 HB THR 19 -7.359 -40.509 -27.008 125 HG1 THR 19 HG1 THR 19 -8.162 -38.440 -27.643 126 HG21 THR 19 1HG2 THR 19 -9.584 -41.428 -28.849 127 HG22 THR 19 2HG2 THR 19 -7.836 -41.586 -29.143 128 HG23 THR 19 3HG2 THR 19 -8.597 -42.473 -27.801 129 H PHE 20 H PHE 20 -10.117 -42.690 -26.594 130 HA PHE 20 HA PHE 20 -10.083 -43.663 -24.011 131 HB2 PHE 20 HB2 PHE 20 -11.152 -44.792 -25.975 132 HB3 PHE 20 HB3 PHE 20 -9.548 -45.069 -26.696 133 HD1 PHE 20 HD2 PHE 20 -8.060 -46.781 -25.838 134 HD2 PHE 20 HD1 PHE 20 -11.942 -46.121 -24.118 135 HE1 PHE 20 HE2 PHE 20 -7.930 -48.978 -24.693 136 HE2 PHE 20 HE1 PHE 20 -11.815 -48.316 -22.980 137 HZ PHE 20 HZ PHE 20 -9.813 -49.750 -23.270 138 H GLU 21 H GLU 21 -7.510 -43.753 -26.575 139 HA GLU 21 HA GLU 21 -5.590 -45.148 -25.085 140 HB2 GLU 21 HB2 GLU 21 -5.193 -43.164 -27.352 141 HB3 GLU 21 HB3 GLU 21 -4.000 -44.339 -26.748 142 HG2 GLU 21 HG2 GLU 21 -5.514 -46.193 -27.367 143 HG3 GLU 21 HG3 GLU 21 -6.707 -45.019 -27.970 144 H GLU 22 H GLU 22 -6.389 -41.706 -25.469 145 HA GLU 22 HA GLU 22 -4.147 -40.680 -24.056 146 HB2 GLU 22 HB2 GLU 22 -6.808 -39.440 -24.843 147 HB3 GLU 22 HB3 GLU 22 -5.418 -38.562 -24.162 148 HG2 GLU 22 HG2 GLU 22 -5.317 -40.172 -26.735 149 HG3 GLU 22 HG3 GLU 22 -5.606 -38.418 -26.660 150 H CYS 23 H CYS 23 -7.158 -42.114 -22.910 151 HA CYS 23 HA CYS 23 -7.711 -40.596 -20.711 152 HB2 CYS 23 HB2 CYS 23 -9.173 -42.371 -21.329 153 HB3 CYS 23 HB3 CYS 23 -7.895 -43.588 -21.101 154 HG CYS 23 HG CYS 23 -9.688 -43.827 -19.273 155 HA PRO 24 HA PRO 24 -4.800 -42.896 -17.782 156 HB2 PRO 24 HB2 PRO 24 -2.375 -43.777 -18.666 157 HB3 PRO 24 HB3 PRO 24 -3.794 -44.828 -18.444 158 HG2 PRO 24 HG2 PRO 24 -2.765 -43.512 -21.001 159 HG3 PRO 24 HG3 PRO 24 -3.371 -45.172 -20.783 160 HD2 PRO 24 HD2 PRO 24 -4.977 -43.230 -21.818 161 HD3 PRO 24 HD3 PRO 24 -5.630 -44.490 -20.746 162 H LYS 25 H LYS 25 -3.585 -40.919 -20.525 163 HA LYS 25 HA LYS 25 -1.520 -39.627 -19.113 164 HB2 LYS 25 HB2 LYS 25 -3.219 -38.477 -21.337 165 HB3 LYS 25 HB3 LYS 25 -1.694 -37.814 -20.702 166 HG2 LYS 25 HG2 LYS 25 -0.554 -39.960 -21.320 167 HG3 LYS 25 HG3 LYS 25 -2.075 -40.518 -22.056 168 HD2 LYS 25 HD2 LYS 25 -2.050 -38.562 -23.581 169 HD3 LYS 25 HD3 LYS 25 -0.520 -38.019 -22.851 170 HE2 LYS 25 HE2 LYS 25 -0.076 -39.229 -24.938 171 HE3 LYS 25 HE3 LYS 25 0.546 -40.158 -23.553 172 HZ1 LYS 25 HZ1 LYS 25 -1.418 -41.490 -23.645 173 HZ2 LYS 25 HZ2 LYS 25 -1.999 -40.630 -24.928 174 HZ3 LYS 25 HZ3 LYS 25 -0.625 -41.529 -25.091 175 H CYS 26 H CYS 26 -5.088 -38.916 -19.584 176 HA CYS 26 HA CYS 26 -4.638 -37.137 -17.261 177 HB2 CYS 26 HB2 CYS 26 -4.920 -35.580 -18.873 178 HB3 CYS 26 HB3 CYS 26 -6.410 -36.356 -19.461 179 HG CYS 26 HG CYS 26 -6.998 -34.229 -18.083 180 H SER 27 H SER 27 -4.894 -38.004 -15.793 181 HA SER 27 HA SER 27 -7.537 -38.837 -14.910 182 HB2 SER 27 HB2 SER 27 -4.790 -39.949 -14.105 183 HB3 SER 27 HB3 SER 27 -6.334 -40.364 -13.326 184 HG SER 27 HG SER 27 -5.666 -40.788 -16.056 185 H ALA 28 H ALA 28 -6.017 -36.284 -15.393 186 HA ALA 28 HA ALA 28 -4.492 -35.378 -13.209 187 HB1 ALA 28 HB1 ALA 28 -5.687 -33.901 -15.567 188 HB2 ALA 28 HB2 ALA 28 -4.521 -33.247 -14.393 189 HB3 ALA 28 HB3 ALA 28 -4.045 -34.582 -15.468 190 H LEU 29 H LEU 29 -4.876 -33.289 -12.296 191 HA LEU 29 HA LEU 29 -6.872 -33.399 -10.429 192 HB2 LEU 29 HB2 LEU 29 -5.329 -30.958 -11.418 193 HB3 LEU 29 HB3 LEU 29 -6.176 -31.113 -9.860 194 HG LEU 29 HG LEU 29 -3.818 -32.815 -10.760 195 HD11 LEU 29 1HD1 LEU 29 -4.046 -30.550 -8.727 196 HD12 LEU 29 2HD1 LEU 29 -2.590 -31.528 -9.028 197 HD13 LEU 29 3HD1 LEU 29 -3.220 -30.453 -10.299 198 HD21 LEU 29 3HD2 LEU 29 -5.262 -32.634 -8.086 199 HD22 LEU 29 1HD2 LEU 29 -5.343 -34.002 -9.222 200 HD23 LEU 29 2HD2 LEU 29 -3.804 -33.598 -8.423 201 H GLN 30 H GLN 30 -6.942 -31.669 -13.628 202 HA GLN 30 HA GLN 30 -9.078 -29.980 -12.943 203 HB2 GLN 30 HB2 GLN 30 -8.463 -31.157 -15.673 204 HB3 GLN 30 HB3 GLN 30 -9.373 -29.674 -15.310 205 HG2 GLN 30 HG2 GLN 30 -7.376 -28.621 -14.386 206 HG3 GLN 30 HG3 GLN 30 -6.442 -30.111 -14.629 207 HE21 GLN 30 1HE2 GLN 30 -5.068 -29.884 -16.301 208 HE22 GLN 30 2HE2 GLN 30 -5.449 -29.129 -17.833 209 H TYR 31 H TYR 31 -9.348 -33.244 -14.585 210 HA TYR 31 HA TYR 31 -11.139 -34.513 -15.068 211 HB2 TYR 31 HB2 TYR 31 -12.188 -33.656 -12.366 212 HB3 TYR 31 HB3 TYR 31 -12.722 -35.040 -13.328 213 HD1 TYR 31 HD2 TYR 31 -10.949 -36.833 -13.919 214 HD2 TYR 31 HD1 TYR 31 -10.482 -33.925 -10.786 215 HE1 TYR 31 HE2 TYR 31 -9.273 -38.295 -12.820 216 HE2 TYR 31 HE1 TYR 31 -8.809 -35.376 -9.676 217 HH TYR 31 HH TYR 31 -7.863 -38.564 -11.027 218 H ARG 32 H ARG 32 -11.399 -31.903 -16.312 219 HA ARG 32 HA ARG 32 -13.870 -30.685 -15.748 220 HB2 ARG 32 HB2 ARG 32 -12.378 -30.650 -18.375 221 HB3 ARG 32 HB3 ARG 32 -13.654 -29.538 -17.840 222 HG2 ARG 32 HG2 ARG 32 -12.222 -28.874 -15.904 223 HG3 ARG 32 HG3 ARG 32 -10.932 -29.919 -16.550 224 HD2 ARG 32 HD2 ARG 32 -10.862 -28.608 -18.619 225 HD3 ARG 32 HD3 ARG 32 -12.208 -27.599 -18.054 226 HE ARG 32 HE ARG 32 -9.411 -27.398 -17.291 227 HH11 ARG 32 1HH1 ARG 32 -12.747 -26.753 -16.283 228 HH12 ARG 32 2HH1 ARG 32 -12.301 -25.463 -15.187 229 HH21 ARG 32 1HH2 ARG 32 -8.839 -25.707 -15.848 230 HH22 ARG 32 2HH2 ARG 32 -10.077 -24.869 -14.940 231 H ASN 33 H ASN 33 -13.396 -33.143 -18.373 232 HA ASN 33 HA ASN 33 -16.334 -33.161 -18.473 233 HB2 ASN 33 HB2 ASN 33 -14.540 -32.942 -20.927 234 HB3 ASN 33 HB3 ASN 33 -16.271 -33.333 -20.953 235 HD21 ASN 33 1HD2 ASN 33 -14.488 -30.941 -21.887 236 HD22 ASN 33 2HD2 ASN 33 -15.366 -29.545 -21.303 237 H GLY 34 H GLY 34 -13.654 -34.670 -20.409 238 HA2 GLY 34 HA2 GLY 34 -13.772 -37.165 -19.168 239 HA3 GLY 34 HA3 GLY 34 -14.893 -37.157 -20.543 240 H PHE 35 H PHE 35 -11.651 -37.661 -19.618 241 HA PHE 35 HA PHE 35 -10.298 -36.721 -21.914 242 HB2 PHE 35 HB2 PHE 35 -9.473 -37.400 -19.440 243 HB3 PHE 35 HB3 PHE 35 -9.064 -38.880 -20.320 244 HD1 PHE 35 HD1 PHE 35 -8.852 -35.150 -20.574 245 HD2 PHE 35 HD2 PHE 35 -7.028 -38.892 -21.535 246 HE1 PHE 35 HE1 PHE 35 -6.920 -33.935 -21.525 247 HE2 PHE 35 HE2 PHE 35 -5.033 -37.677 -22.428 248 HZ PHE 35 HZ PHE 35 -5.002 -35.209 -22.459 249 H TYR 36 H TYR 36 -12.440 -39.461 -21.462 250 HA TYR 36 HA TYR 36 -11.132 -40.923 -23.629 251 HB2 TYR 36 HB2 TYR 36 -13.770 -41.497 -22.223 252 HB3 TYR 36 HB3 TYR 36 -13.167 -42.361 -23.616 253 HD1 TYR 36 HD2 TYR 36 -11.636 -44.151 -23.435 254 HD2 TYR 36 HD1 TYR 36 -13.193 -42.171 -20.048 255 HE1 TYR 36 HE2 TYR 36 -10.591 -45.890 -21.978 256 HE2 TYR 36 HE1 TYR 36 -12.335 -43.953 -18.558 257 HH TYR 36 HH TYR 36 -11.064 -45.871 -18.426 258 H LEU 37 H LEU 37 -13.662 -38.577 -22.744 259 HA LEU 37 HA LEU 37 -15.749 -39.170 -24.453 260 HB2 LEU 37 HB2 LEU 37 -15.877 -37.791 -22.391 261 HB3 LEU 37 HB3 LEU 37 -15.013 -36.508 -23.243 262 HG LEU 37 HG LEU 37 -16.876 -36.414 -24.921 263 HD11 LEU 37 1HD1 LEU 37 -18.320 -38.113 -22.840 264 HD12 LEU 37 2HD1 LEU 37 -19.037 -37.394 -24.300 265 HD13 LEU 37 3HD1 LEU 37 -17.829 -38.691 -24.443 266 HD21 LEU 37 3HD2 LEU 37 -17.543 -35.944 -21.984 267 HD22 LEU 37 1HD2 LEU 37 -16.637 -34.835 -23.041 268 HD23 LEU 37 2HD2 LEU 37 -18.352 -35.173 -23.368 269 H LEU 38 H LEU 38 -13.212 -36.711 -25.364 270 HA LEU 38 HA LEU 38 -14.893 -35.850 -27.445 271 HB2 LEU 38 HB2 LEU 38 -12.919 -34.604 -26.638 272 HB3 LEU 38 HB3 LEU 38 -11.871 -35.814 -27.385 273 HG LEU 38 HG LEU 38 -12.866 -35.277 -29.612 274 HD11 LEU 38 1HD1 LEU 38 -14.290 -33.092 -28.031 275 HD12 LEU 38 2HD1 LEU 38 -14.196 -33.175 -29.805 276 HD13 LEU 38 3HD1 LEU 38 -15.066 -34.433 -28.907 277 HD21 LEU 38 3HD2 LEU 38 -11.761 -32.913 -28.039 278 HD22 LEU 38 1HD2 LEU 38 -10.797 -34.196 -28.807 279 HD23 LEU 38 2HD2 LEU 38 -11.750 -33.081 -29.810 280 H LYS 39 H LYS 39 -12.468 -38.545 -27.455 281 HA LYS 39 HA LYS 39 -13.723 -39.336 -29.976 282 HB2 LYS 39 HB2 LYS 39 -10.708 -39.194 -29.570 283 HB3 LYS 39 HB3 LYS 39 -11.546 -39.932 -30.949 284 HG2 LYS 39 HG2 LYS 39 -12.557 -37.722 -31.496 285 HG3 LYS 39 HG3 LYS 39 -11.635 -36.996 -30.154 286 HD2 LYS 39 HD2 LYS 39 -9.519 -37.728 -31.206 287 HD3 LYS 39 HD3 LYS 39 -10.435 -38.453 -32.549 288 HE2 LYS 39 HE2 LYS 39 -11.378 -36.232 -33.100 289 HE3 LYS 39 HE3 LYS 39 -10.464 -35.509 -31.760 290 HZ1 LYS 39 HZ1 LYS 39 -9.347 -35.232 -33.843 291 HZ2 LYS 39 HZ2 LYS 39 -9.306 -36.861 -34.094 292 HZ3 LYS 39 HZ3 LYS 39 -8.454 -36.197 -32.847 293 H TYR 40 H TYR 40 -14.302 -41.315 -30.027 294 HA TYR 40 HA TYR 40 -12.816 -43.276 -28.409 295 HB2 TYR 40 HB2 TYR 40 -15.166 -43.031 -27.720 296 HB3 TYR 40 HB3 TYR 40 -15.704 -43.401 -29.369 297 HD1 TYR 40 HD1 TYR 40 -13.557 -44.774 -26.609 298 HD2 TYR 40 HD2 TYR 40 -16.237 -45.630 -29.862 299 HE1 TYR 40 HE1 TYR 40 -13.498 -47.178 -26.012 300 HE2 TYR 40 HE2 TYR 40 -16.188 -48.039 -29.277 301 HH TYR 40 HH TYR 40 -14.249 -49.286 -26.524 302 H ASP 41 H ASP 41 -13.075 -41.780 -31.380 303 HA ASP 41 HA ASP 41 -12.804 -42.154 -33.516 304 HB2 ASP 41 HB2 ASP 41 -10.997 -44.363 -32.642 305 HB3 ASP 41 HB3 ASP 41 -11.084 -43.603 -34.246 306 H GLU 42 H GLU 42 -15.231 -42.841 -32.764 307 HA GLU 42 HA GLU 42 -15.766 -45.297 -34.281 308 HB2 GLU 42 HB2 GLU 42 -16.815 -45.279 -32.055 309 HB3 GLU 42 HB3 GLU 42 -17.599 -43.734 -32.427 310 HG2 GLU 42 HG2 GLU 42 -18.857 -44.791 -34.258 311 HG3 GLU 42 HG3 GLU 42 -18.019 -46.330 -33.962 312 H GLU 43 H GLU 43 -16.855 -44.892 -36.294 313 HA GLU 43 HA GLU 43 -16.790 -42.214 -37.297 314 HB2 GLU 43 HB2 GLU 43 -18.004 -44.733 -38.483 315 HB3 GLU 43 HB3 GLU 43 -17.810 -43.177 -39.315 316 HG2 GLU 43 HG2 GLU 43 -15.357 -43.322 -39.004 317 HG3 GLU 43 HG3 GLU 43 -15.553 -44.890 -38.199 318 H TRP 44 H TRP 44 -18.436 -40.730 -37.415 319 HA TRP 44 HA TRP 44 -21.086 -41.656 -36.493 320 HB2 TRP 44 HB2 TRP 44 -19.751 -38.984 -36.027 321 HB3 TRP 44 HB3 TRP 44 -21.476 -39.288 -35.809 322 HD1 TRP 44 HD1 TRP 44 -18.098 -40.081 -34.232 323 HE1 TRP 44 HE1 TRP 44 -18.439 -40.965 -31.866 324 HE3 TRP 44 HE3 TRP 44 -23.187 -40.541 -34.288 325 HZ2 TRP 44 HZ2 TRP 44 -20.663 -41.774 -30.187 326 HZ3 TRP 44 HZ3 TRP 44 -24.388 -41.362 -32.292 327 HH2 TRP 44 HH2 TRP 44 -23.142 -41.982 -30.240 328 H PTR 45 H PTR 45 -22.673 -41.507 -37.804 329 HA PTR 45 HA PTR 45 -23.830 -41.277 -39.700 330 HB2 PTR 45 HB2 PTR 45 -23.375 -38.379 -39.167 331 HB3 PTR 45 HB3 PTR 45 -24.606 -39.100 -40.214 332 HD1 PTR 45 HD1 PTR 45 -23.477 -38.706 -36.708 333 HD2 PTR 45 HD2 PTR 45 -26.546 -40.208 -39.316 334 HE1 PTR 45 HE1 PTR 45 -24.968 -39.025 -34.753 335 HE2 PTR 45 HE2 PTR 45 -28.051 -40.530 -37.370 336 HA PRO 46 HA PRO 46 -20.491 -40.926 -42.759 337 HB2 PRO 46 HB2 PRO 46 -20.098 -43.562 -43.404 338 HB3 PRO 46 HB3 PRO 46 -19.245 -42.753 -42.044 339 HG2 PRO 46 HG2 PRO 46 -21.751 -44.457 -41.925 340 HG3 PRO 46 HG3 PRO 46 -20.287 -44.564 -40.888 341 HD2 PRO 46 HD2 PRO 46 -22.540 -43.230 -40.103 342 HD3 PRO 46 HD3 PRO 46 -20.899 -42.646 -39.676 343 H GLU 47 H GLU 47 -21.569 -40.032 -44.341 344 HA GLU 47 HA GLU 47 -24.107 -40.746 -45.218 345 HB2 GLU 47 HB2 GLU 47 -21.943 -39.193 -46.682 346 HB3 GLU 47 HB3 GLU 47 -23.670 -39.246 -47.103 347 HG2 GLU 47 HG2 GLU 47 -24.232 -38.309 -44.873 348 HG3 GLU 47 HG3 GLU 47 -22.504 -38.217 -44.481 349 H GLU 48 H GLU 48 -20.848 -41.590 -46.497 350 HA GLU 48 HA GLU 48 -21.678 -42.773 -48.876 351 HB2 GLU 48 HB2 GLU 48 -19.278 -43.426 -47.112 352 HB3 GLU 48 HB3 GLU 48 -19.521 -43.982 -48.781 353 HG2 GLU 48 HG2 GLU 48 -19.665 -41.584 -49.506 354 HG3 GLU 48 HG3 GLU 48 -19.232 -41.099 -47.855 355 H LEU 49 H LEU 49 -21.150 -44.224 -45.587 356 HA LEU 49 HA LEU 49 -21.709 -46.873 -46.431 357 HB2 LEU 49 HB2 LEU 49 -21.922 -45.743 -43.645 358 HB3 LEU 49 HB3 LEU 49 -21.908 -47.455 -44.114 359 HG LEU 49 HG LEU 49 -19.647 -45.450 -44.535 360 HD11 LEU 49 1HD1 LEU 49 -19.869 -47.925 -42.767 361 HD12 LEU 49 2HD1 LEU 49 -18.450 -46.859 -42.913 362 HD13 LEU 49 3HD1 LEU 49 -19.957 -46.244 -42.198 363 HD21 LEU 49 3HD2 LEU 49 -19.841 -48.410 -45.243 364 HD22 LEU 49 1HD2 LEU 49 -19.661 -47.056 -46.385 365 HD23 LEU 49 2HD2 LEU 49 -18.342 -47.452 -45.269 366 H LEU 50 H LEU 50 -23.788 -44.269 -45.097 367 HA LEU 50 HA LEU 50 -26.092 -45.835 -44.750 368 HB2 LEU 50 HB2 LEU 50 -25.749 -42.871 -45.276 369 HB3 LEU 50 HB3 LEU 50 -27.299 -43.641 -44.880 370 HG LEU 50 HG LEU 50 -24.833 -43.878 -43.109 371 HD11 LEU 50 1HD1 LEU 50 -27.173 -41.937 -42.906 372 HD12 LEU 50 2HD1 LEU 50 -25.880 -42.142 -41.699 373 HD13 LEU 50 3HD1 LEU 50 -25.494 -41.508 -43.313 374 HD21 LEU 50 3HD2 LEU 50 -27.800 -44.371 -42.626 375 HD22 LEU 50 1HD2 LEU 50 -26.539 -45.619 -42.760 376 HD23 LEU 50 2HD2 LEU 50 -26.521 -44.486 -41.396 377 H TPO 51 H TPO 51 -24.900 -43.936 -47.600 378 HA TPO 51 HA TPO 51 -27.206 -44.416 -49.173 379 HB TPO 51 HB TPO 51 -24.621 -43.098 -49.430 380 HG21 TPO 51 1HG2 TPO 51 -25.734 -44.629 -51.822 381 HG22 TPO 51 2HG2 TPO 51 -24.474 -43.373 -51.899 382 HG23 TPO 51 3HG2 TPO 51 -24.156 -44.898 -51.046 383 H ASP 52 H ASP 52 -27.652 -46.158 -50.536 384 HA ASP 52 HA ASP 52 -26.206 -48.578 -50.197 385 HB2 ASP 52 HB2 ASP 52 -28.308 -47.890 -52.281 386 HB3 ASP 52 HB3 ASP 52 -27.714 -49.512 -51.869 387 H GLY 53 H GLY 53 -24.673 -49.532 -51.497 388 HA2 GLY 53 HA2 GLY 53 -24.164 -49.101 -54.131 389 HA3 GLY 53 HA3 GLY 53 -23.264 -47.819 -53.291 390 H GLU 54 H GLU 54 -21.339 -48.806 -54.085 391 HA GLU 54 HA GLU 54 -20.489 -51.421 -53.508 392 HB2 GLU 54 HB2 GLU 54 -18.930 -48.895 -54.144 393 HB3 GLU 54 HB3 GLU 54 -18.218 -50.510 -53.998 394 HG2 GLU 54 HG2 GLU 54 -20.417 -49.766 -55.966 395 HG3 GLU 54 HG3 GLU 54 -18.690 -49.869 -56.360 396 H ASP 55 H ASP 55 -18.995 -52.209 -52.025 397 HA ASP 55 HA ASP 55 -19.306 -51.339 -49.379 398 HB2 ASP 55 HB2 ASP 55 -17.165 -53.161 -50.520 399 HB3 ASP 55 HB3 ASP 55 -17.637 -53.007 -48.816 400 H ASP 56 H ASP 56 -16.503 -50.873 -51.664 401 HA ASP 56 HA ASP 56 -15.489 -48.945 -49.670 402 HB2 ASP 56 HB2 ASP 56 -13.838 -50.645 -51.569 403 HB3 ASP 56 HB3 ASP 56 -13.227 -49.321 -50.559 404 H VAL 57 H VAL 57 -14.353 -47.131 -50.546 405 HA VAL 57 HA VAL 57 -15.641 -45.837 -52.685 406 HB VAL 57 HB VAL 57 -13.074 -45.189 -51.222 407 HG11 VAL 57 1HG1 VAL 57 -14.897 -43.506 -52.994 408 HG12 VAL 57 2HG1 VAL 57 -13.531 -42.885 -52.039 409 HG13 VAL 57 3HG1 VAL 57 -13.235 -44.010 -53.380 410 HG21 VAL 57 3HG2 VAL 57 -15.957 -44.268 -50.829 411 HG22 VAL 57 1HG2 VAL 57 -15.044 -45.332 -49.732 412 HG23 VAL 57 2HG2 VAL 57 -14.544 -43.640 -49.951 413 H PHE 58 H PHE 58 -12.514 -47.613 -52.383 414 HA PHE 58 HA PHE 58 -11.727 -46.971 -55.067 415 HB2 PHE 58 HB2 PHE 58 -9.851 -48.382 -54.752 416 HB3 PHE 58 HB3 PHE 58 -10.023 -47.270 -53.390 417 HD1 PHE 58 HD1 PHE 58 -10.264 -50.786 -54.481 418 HD2 PHE 58 HD2 PHE 58 -10.553 -48.076 -51.158 419 HE1 PHE 58 HE1 PHE 58 -10.186 -52.705 -52.909 420 HE2 PHE 58 HE2 PHE 58 -10.471 -49.994 -49.587 421 HZ PHE 58 HZ PHE 58 -10.288 -52.308 -50.462 422 H ASP 59 H ASP 59 -14.042 -49.324 -53.910 423 HA ASP 59 HA ASP 59 -13.467 -51.372 -55.748 424 HB2 ASP 59 HB2 ASP 59 -16.091 -50.618 -54.463 425 HB3 ASP 59 HB3 ASP 59 -15.833 -52.034 -55.494 426 HA PRO 60 HA PRO 60 -16.345 -49.600 -58.956 427 HB2 PRO 60 HB2 PRO 60 -17.084 -46.959 -59.058 428 HB3 PRO 60 HB3 PRO 60 -18.022 -48.222 -58.182 429 HG2 PRO 60 HG2 PRO 60 -15.951 -46.313 -57.053 430 HG3 PRO 60 HG3 PRO 60 -17.587 -46.670 -56.405 431 HD2 PRO 60 HD2 PRO 60 -15.368 -47.891 -55.404 432 HD3 PRO 60 HD3 PRO 60 -16.892 -48.799 -55.613 433 H ASP 61 H ASP 61 -15.488 -49.239 -60.936 434 HA ASP 61 HA ASP 61 -13.895 -48.885 -62.455 435 HB2 ASP 61 HB2 ASP 61 -13.784 -46.105 -61.295 436 HB3 ASP 61 HB3 ASP 61 -13.187 -46.632 -62.881 437 H LEU 62 H LEU 62 -12.928 -50.373 -60.374 438 HA LEU 62 HA LEU 62 -10.322 -49.262 -59.712 439 HB2 LEU 62 HB2 LEU 62 -11.614 -50.539 -57.982 440 HB3 LEU 62 HB3 LEU 62 -11.573 -51.955 -59.031 441 HG LEU 62 HG LEU 62 -9.072 -51.924 -58.949 442 HD11 LEU 62 1HD1 LEU 62 -9.538 -49.746 -56.861 443 HD12 LEU 62 2HD1 LEU 62 -7.989 -50.560 -57.173 444 HD13 LEU 62 3HD1 LEU 62 -8.717 -49.536 -58.426 445 HD21 LEU 62 3HD2 LEU 62 -10.530 -52.007 -56.274 446 HD22 LEU 62 1HD2 LEU 62 -10.395 -53.343 -57.438 447 HD23 LEU 62 2HD2 LEU 62 -8.943 -52.741 -56.607 448 H ASP 63 H ASP 63 -8.617 -49.610 -61.092 449 HA ASP 63 HA ASP 63 -8.935 -51.799 -63.035 450 HB2 ASP 63 HB2 ASP 63 -8.557 -49.625 -64.108 451 HB3 ASP 63 HB3 ASP 63 -7.128 -49.343 -63.094 452 H MET 64 H MET 64 -7.773 -53.603 -62.397 453 HA MET 64 HA MET 64 -5.613 -53.225 -60.441 454 HB2 MET 64 HB2 MET 64 -7.423 -54.711 -59.700 455 HB3 MET 64 HB3 MET 64 -7.168 -55.737 -61.124 456 HG2 MET 64 HG2 MET 64 -6.032 -56.636 -59.125 457 HG3 MET 64 HG3 MET 64 -4.898 -56.245 -60.419 458 HE1 MET 64 HE1 MET 64 -6.462 -55.079 -57.024 459 HE2 MET 64 HE2 MET 64 -5.506 -53.628 -56.639 460 HE3 MET 64 HE3 MET 64 -6.629 -53.610 -58.017 461 H GLU 65 H GLU 65 -3.620 -53.660 -60.847 462 HA GLU 65 HA GLU 65 -2.862 -54.452 -63.555 463 HB2 GLU 65 HB2 GLU 65 -1.223 -53.258 -61.266 464 HB3 GLU 65 HB3 GLU 65 -0.593 -53.698 -62.869 465 HG2 GLU 65 HG2 GLU 65 -2.161 -52.096 -63.922 466 HG3 GLU 65 HG3 GLU 65 -2.781 -51.649 -62.321 467 H VAL 66 H VAL 66 -2.138 -56.585 -63.775 468 HA VAL 66 HA VAL 66 -1.643 -58.100 -61.304 469 HB VAL 66 HB VAL 66 -2.315 -59.055 -64.101 470 HG11 VAL 66 1HG1 VAL 66 -1.814 -60.563 -61.499 471 HG12 VAL 66 2HG1 VAL 66 -2.475 -61.283 -62.987 472 HG13 VAL 66 3HG1 VAL 66 -0.825 -60.635 -62.978 473 HG21 VAL 66 3HG2 VAL 66 -3.882 -59.064 -61.485 474 HG22 VAL 66 1HG2 VAL 66 -4.223 -58.043 -62.901 475 HG23 VAL 66 2HG2 VAL 66 -4.412 -59.806 -63.013 476 H VAL 67 H VAL 67 0.467 -58.665 -60.950 477 HA VAL 67 HA VAL 67 2.524 -57.817 -62.791 478 HB VAL 67 HB VAL 67 4.084 -58.445 -61.115 479 HG11 VAL 67 1HG1 VAL 67 1.663 -57.043 -59.904 480 HG12 VAL 67 2HG1 VAL 67 3.342 -56.932 -59.329 481 HG13 VAL 67 3HG1 VAL 67 2.904 -56.275 -60.923 482 HG21 VAL 67 3HG2 VAL 67 1.689 -59.547 -59.587 483 HG22 VAL 67 1HG2 VAL 67 3.010 -60.506 -60.295 484 HG23 VAL 67 2HG2 VAL 67 3.344 -59.392 -58.954 485 H PHE 68 H PHE 68 0.755 -60.739 -62.570 486 HA PHE 68 HA PHE 68 1.009 -62.820 -63.317 487 HB2 PHE 68 HB2 PHE 68 2.832 -61.649 -65.399 488 HB3 PHE 68 HB3 PHE 68 2.019 -63.222 -65.433 489 HD1 PHE 68 HD2 PHE 68 -0.460 -63.351 -65.630 490 HD2 PHE 68 HD1 PHE 68 1.641 -59.609 -65.891 491 HE1 PHE 68 HE2 PHE 68 -2.476 -62.287 -66.607 492 HE2 PHE 68 HE1 PHE 68 -0.375 -58.546 -66.869 493 HZ PHE 68 HZ PHE 68 -2.435 -59.884 -67.227 494 H GLU 69 H GLU 69 2.440 -62.329 -61.061 495 HA GLU 69 HA GLU 69 3.983 -63.134 -59.688 496 HB2 GLU 69 HB2 GLU 69 4.242 -65.378 -61.703 497 HB3 GLU 69 HB3 GLU 69 4.798 -65.387 -60.015 498 HG2 GLU 69 HG2 GLU 69 2.471 -65.031 -59.246 499 HG3 GLU 69 HG3 GLU 69 1.913 -65.054 -60.932 500 H THR 70 H THR 70 4.892 -61.183 -61.792 501 HA THR 70 HA THR 70 7.677 -61.994 -62.102 502 HB THR 70 HB THR 70 6.228 -59.518 -63.077 503 HG1 THR 70 HG1 THR 70 5.576 -61.471 -64.080 504 HG21 THR 70 1HG2 THR 70 8.998 -60.651 -63.666 505 HG22 THR 70 2HG2 THR 70 8.266 -59.239 -64.465 506 HG23 THR 70 3HG2 THR 70 8.651 -59.176 -62.732 507 H GLN 71 H GLN 71 9.120 -61.161 -60.610 508 HA GLN 71 HA GLN 71 8.114 -59.378 -58.530 509 HB2 GLN 71 HB2 GLN 71 10.807 -60.790 -58.663 510 HB3 GLN 71 HB3 GLN 71 10.085 -59.951 -57.273 511 HG2 GLN 71 HG2 GLN 71 9.078 -62.492 -58.621 512 HG3 GLN 71 HG3 GLN 71 9.793 -62.359 -57.005 513 HE21 GLN 71 2HE2 GLN 71 6.915 -62.704 -58.613 514 HE22 GLN 71 1HE2 GLN 71 5.824 -61.993 -57.444 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -24.723 -46.539 -24.791 2 H2 GLY 1 H2 GLY 1 -26.194 -47.102 -25.414 3 H3 GLY 1 H3 GLY 1 -25.486 -45.711 -26.062 4 HA2 GLY 1 HA3 GLY 1 -26.766 -46.037 -23.421 5 HA3 GLY 1 HA2 GLY 1 -25.704 -44.663 -23.805 6 H SER 2 H SER 2 -28.831 -45.862 -23.860 7 HA SER 2 HA SER 2 -29.923 -44.786 -26.235 8 HB2 SER 2 HB2 SER 2 -32.078 -45.075 -25.073 9 HB3 SER 2 HB3 SER 2 -31.066 -46.534 -24.939 10 HG SER 2 HG SER 2 -32.011 -45.921 -22.946 11 H THR 3 H THR 3 -29.487 -43.559 -22.884 12 HA THR 3 HA THR 3 -30.652 -40.990 -23.534 13 HB THR 3 HB THR 3 -31.051 -42.044 -21.341 14 HG1 THR 3 HG1 THR 3 -31.107 -39.777 -21.668 15 HG21 THR 3 1HG2 THR 3 -28.087 -41.470 -20.944 16 HG22 THR 3 2HG2 THR 3 -29.227 -41.991 -19.680 17 HG23 THR 3 3HG2 THR 3 -28.833 -43.083 -21.029 18 H ALA 4 H ALA 4 -29.274 -38.973 -22.901 19 HA ALA 4 HA ALA 4 -26.846 -39.193 -24.470 20 HB1 ALA 4 HB1 ALA 4 -28.025 -36.777 -23.054 21 HB2 ALA 4 HB2 ALA 4 -26.624 -36.781 -24.152 22 HB3 ALA 4 HB3 ALA 4 -28.241 -37.189 -24.772 23 H MET 5 H MET 5 -25.044 -39.894 -23.522 24 HA MET 5 HA MET 5 -24.714 -39.503 -20.637 25 HB2 MET 5 HB2 MET 5 -23.188 -41.279 -22.615 26 HB3 MET 5 HB3 MET 5 -22.853 -41.151 -20.872 27 HG2 MET 5 HG2 MET 5 -25.452 -42.128 -22.126 28 HG3 MET 5 HG3 MET 5 -24.211 -43.148 -21.359 29 HE1 MET 5 HE1 MET 5 -23.393 -41.318 -18.874 30 HE2 MET 5 HE2 MET 5 -24.432 -42.034 -17.620 31 HE3 MET 5 HE3 MET 5 -23.610 -43.083 -18.797 32 H ALA 6 H ALA 6 -23.702 -37.485 -20.447 33 HA ALA 6 HA ALA 6 -22.483 -35.655 -20.849 34 HB1 ALA 6 HB1 ALA 6 -20.356 -37.627 -21.640 35 HB2 ALA 6 HB2 ALA 6 -20.127 -35.899 -21.281 36 HB3 ALA 6 HB3 ALA 6 -20.692 -37.007 -20.007 37 H THR 7 H THR 7 -24.318 -35.971 -22.751 38 HA THR 7 HA THR 7 -25.039 -35.128 -24.659 39 HB THR 7 HB THR 7 -23.983 -33.562 -25.966 40 HG1 THR 7 HG1 THR 7 -21.873 -34.434 -25.918 41 HG21 THR 7 1HG2 THR 7 -23.418 -33.143 -23.003 42 HG22 THR 7 2HG2 THR 7 -23.565 -31.860 -24.227 43 HG23 THR 7 3HG2 THR 7 -24.975 -32.865 -23.818 44 H THR 8 H THR 8 -21.768 -36.575 -25.396 45 HA THR 8 HA THR 8 -23.224 -37.745 -27.695 46 HB THR 8 HB THR 8 -20.285 -37.078 -27.525 47 HG1 THR 8 HG1 THR 8 -20.925 -35.479 -29.050 48 HG21 THR 8 1HG2 THR 8 -22.064 -38.033 -29.809 49 HG22 THR 8 2HG2 THR 8 -20.342 -37.604 -29.937 50 HG23 THR 8 3HG2 THR 8 -20.838 -39.012 -28.968 51 H MET 9 H MET 9 -23.037 -39.884 -28.074 52 HA MET 9 HA MET 9 -21.801 -41.529 -25.983 53 HB2 MET 9 HB2 MET 9 -24.312 -41.672 -26.372 54 HB3 MET 9 HB3 MET 9 -23.944 -42.349 -27.976 55 HG2 MET 9 HG2 MET 9 -24.392 -44.124 -26.350 56 HG3 MET 9 HG3 MET 9 -22.703 -44.192 -26.909 57 HE1 MET 9 HE1 MET 9 -21.558 -45.525 -25.212 58 HE2 MET 9 HE2 MET 9 -21.953 -45.505 -23.477 59 HE3 MET 9 HE3 MET 9 -23.191 -45.974 -24.667 60 H GLU 10 H GLU 10 -20.906 -43.471 -26.464 61 HA GLU 10 HA GLU 10 -19.530 -44.956 -27.313 62 HB2 GLU 10 HB2 GLU 10 -20.111 -43.877 -30.057 63 HB3 GLU 10 HB3 GLU 10 -19.266 -45.388 -29.640 64 HG2 GLU 10 HG2 GLU 10 -21.309 -46.178 -28.460 65 HG3 GLU 10 HG3 GLU 10 -22.149 -44.688 -28.948 66 H GLN 11 H GLN 11 -18.777 -41.675 -27.377 67 HA GLN 11 HA GLN 11 -16.045 -42.335 -28.202 68 HB2 GLN 11 HB2 GLN 11 -15.676 -39.962 -28.383 69 HB3 GLN 11 HB3 GLN 11 -16.949 -40.573 -29.466 70 HG2 GLN 11 HG2 GLN 11 -18.653 -39.702 -27.904 71 HG3 GLN 11 HG3 GLN 11 -17.349 -39.026 -26.898 72 HE21 GLN 11 1HE2 GLN 11 -16.674 -36.974 -27.364 73 HE22 GLN 11 2HE2 GLN 11 -16.951 -36.146 -28.880 74 H GLU 12 H GLU 12 -17.696 -42.753 -25.479 75 HA GLU 12 HA GLU 12 -17.218 -43.154 -23.367 76 HB2 GLU 12 HB2 GLU 12 -14.378 -43.286 -24.197 77 HB3 GLU 12 HB3 GLU 12 -15.059 -43.744 -22.618 78 HG2 GLU 12 HG2 GLU 12 -16.606 -45.321 -23.814 79 HG3 GLU 12 HG3 GLU 12 -15.749 -44.939 -25.328 80 H ILE 13 H ILE 13 -16.102 -42.470 -21.204 81 HA ILE 13 HA ILE 13 -15.819 -39.536 -21.334 82 HB ILE 13 HB ILE 13 -17.624 -41.064 -19.370 83 HG12 ILE 13 2HG1 ILE 13 -18.469 -39.135 -21.571 84 HG13 ILE 13 3HG1 ILE 13 -18.553 -40.906 -21.718 85 HG21 ILE 13 1HG2 ILE 13 -17.132 -38.080 -19.800 86 HG22 ILE 13 2HG2 ILE 13 -18.275 -38.785 -18.631 87 HG23 ILE 13 3HG2 ILE 13 -16.525 -39.047 -18.434 88 HD11 ILE 13 3HD1 ILE 13 -20.072 -40.996 -19.777 89 HD12 ILE 13 1HD1 ILE 13 -19.988 -39.223 -19.631 90 HD13 ILE 13 2HD1 ILE 13 -20.728 -39.963 -21.072 91 H CYS 14 H CYS 14 -13.992 -38.991 -19.978 92 HA CYS 14 HA CYS 14 -13.492 -40.693 -17.618 93 HB2 CYS 14 HB2 CYS 14 -11.747 -41.323 -19.119 94 HB3 CYS 14 HB3 CYS 14 -11.304 -39.617 -19.369 95 HG CYS 14 HG CYS 14 -9.589 -40.755 -17.747 96 H ALA 15 H ALA 15 -11.177 -38.129 -17.835 97 HA ALA 15 HA ALA 15 -12.710 -36.526 -15.967 98 HB1 ALA 15 HB1 ALA 15 -9.769 -36.512 -16.683 99 HB2 ALA 15 HB2 ALA 15 -10.560 -35.495 -15.456 100 HB3 ALA 15 HB3 ALA 15 -10.504 -37.261 -15.247 101 H HIS 16 H HIS 16 -10.295 -35.358 -18.603 102 HA HIS 16 HA HIS 16 -12.509 -33.595 -19.411 103 HB2 HIS 16 HB2 HIS 16 -11.356 -31.532 -19.222 104 HB3 HIS 16 HB3 HIS 16 -11.688 -32.279 -17.642 105 HD1 HIS 16 HD1 HIS 16 -9.665 -33.001 -16.267 106 HD2 HIS 16 HD2 HIS 16 -8.738 -31.046 -19.870 107 HE1 HIS 16 HE1 HIS 16 -7.225 -32.180 -16.083 108 H SER 17 H SER 17 -12.905 -34.190 -21.312 109 HA SER 17 HA SER 17 -12.742 -34.344 -23.512 110 HB2 SER 17 HB2 SER 17 -11.555 -31.616 -23.015 111 HB3 SER 17 HB3 SER 17 -12.262 -32.196 -24.541 112 HG SER 17 HG SER 17 -13.761 -31.049 -23.237 113 H MET 18 H MET 18 -10.955 -36.244 -23.174 114 HA MET 18 HA MET 18 -9.182 -35.511 -25.401 115 HB2 MET 18 HB2 MET 18 -7.952 -36.178 -22.857 116 HB3 MET 18 HB3 MET 18 -7.288 -36.840 -24.369 117 HG2 MET 18 HG2 MET 18 -6.147 -34.819 -24.026 118 HG3 MET 18 HG3 MET 18 -7.372 -34.439 -25.259 119 HE1 MET 18 HE1 MET 18 -6.916 -31.958 -25.041 120 HE2 MET 18 HE2 MET 18 -6.897 -31.076 -23.496 121 HE3 MET 18 HE3 MET 18 -5.658 -32.308 -23.832 122 H THR 19 H THR 19 -8.211 -38.537 -24.093 123 HA THR 19 HA THR 19 -9.642 -39.845 -26.255 124 HB THR 19 HB THR 19 -6.603 -39.959 -26.087 125 HG1 THR 19 HG1 THR 19 -7.384 -37.895 -26.768 126 HG21 THR 19 1HG2 THR 19 -8.521 -40.884 -28.245 127 HG22 THR 19 2HG2 THR 19 -6.744 -40.978 -28.298 128 HG23 THR 19 3HG2 THR 19 -7.651 -41.932 -27.100 129 H PHE 20 H PHE 20 -9.313 -42.236 -26.122 130 HA PHE 20 HA PHE 20 -9.601 -43.293 -23.588 131 HB2 PHE 20 HB2 PHE 20 -10.348 -44.389 -25.713 132 HB3 PHE 20 HB3 PHE 20 -8.653 -44.592 -26.212 133 HD1 PHE 20 HD2 PHE 20 -7.237 -46.285 -25.206 134 HD2 PHE 20 HD1 PHE 20 -11.340 -45.803 -24.022 135 HE1 PHE 20 HE2 PHE 20 -7.188 -48.514 -24.117 136 HE2 PHE 20 HE1 PHE 20 -11.293 -48.029 -22.941 137 HZ PHE 20 HZ PHE 20 -9.220 -49.390 -22.992 138 H GLU 21 H GLU 21 -6.698 -43.218 -25.772 139 HA GLU 21 HA GLU 21 -4.953 -44.601 -24.071 140 HB2 GLU 21 HB2 GLU 21 -4.318 -42.532 -26.203 141 HB3 GLU 21 HB3 GLU 21 -3.179 -43.689 -25.474 142 HG2 GLU 21 HG2 GLU 21 -4.527 -45.568 -26.349 143 HG3 GLU 21 HG3 GLU 21 -5.666 -44.412 -27.078 144 H GLU 22 H GLU 22 -5.812 -41.176 -24.463 145 HA GLU 22 HA GLU 22 -3.824 -40.128 -22.724 146 HB2 GLU 22 HB2 GLU 22 -6.394 -38.945 -23.837 147 HB3 GLU 22 HB3 GLU 22 -5.142 -38.048 -22.945 148 HG2 GLU 22 HG2 GLU 22 -4.632 -39.568 -25.524 149 HG3 GLU 22 HG3 GLU 22 -4.989 -37.827 -25.440 150 H CYS 23 H CYS 23 -6.911 -41.692 -22.049 151 HA CYS 23 HA CYS 23 -7.815 -40.265 -19.905 152 HB2 CYS 23 HB2 CYS 23 -9.114 -42.064 -20.771 153 HB3 CYS 23 HB3 CYS 23 -7.838 -43.247 -20.402 154 HG CYS 23 HG CYS 23 -9.856 -43.602 -18.848 155 HA PRO 24 HA PRO 24 -5.255 -42.570 -16.667 156 HB2 PRO 24 HB2 PRO 24 -2.702 -43.345 -17.232 157 HB3 PRO 24 HB3 PRO 24 -4.100 -44.447 -17.239 158 HG2 PRO 24 HG2 PRO 24 -2.776 -43.016 -19.590 159 HG3 PRO 24 HG3 PRO 24 -3.347 -44.699 -19.506 160 HD2 PRO 24 HD2 PRO 24 -4.863 -42.775 -20.697 161 HD3 PRO 24 HD3 PRO 24 -5.612 -44.090 -19.763 162 H LYS 25 H LYS 25 -3.745 -40.467 -19.159 163 HA LYS 25 HA LYS 25 -1.940 -39.159 -17.437 164 HB2 LYS 25 HB2 LYS 25 -3.357 -37.989 -19.842 165 HB3 LYS 25 HB3 LYS 25 -1.958 -37.300 -18.983 166 HG2 LYS 25 HG2 LYS 25 -0.669 -39.388 -19.498 167 HG3 LYS 25 HG3 LYS 25 -2.054 -39.969 -20.454 168 HD2 LYS 25 HD2 LYS 25 -1.888 -37.962 -21.903 169 HD3 LYS 25 HD3 LYS 25 -0.493 -37.397 -20.953 170 HE2 LYS 25 HE2 LYS 25 0.276 -38.523 -22.993 171 HE3 LYS 25 HE3 LYS 25 0.734 -39.478 -21.561 172 HZ1 LYS 25 HZ1 LYS 25 -1.151 -40.866 -21.963 173 HZ2 LYS 25 HZ2 LYS 25 -1.579 -39.983 -23.289 174 HZ3 LYS 25 HZ3 LYS 25 -0.165 -40.832 -23.285 175 H CYS 26 H CYS 26 -5.433 -38.543 -18.378 176 HA CYS 26 HA CYS 26 -5.369 -36.829 -15.965 177 HB2 CYS 26 HB2 CYS 26 -5.482 -35.229 -17.555 178 HB3 CYS 26 HB3 CYS 26 -6.849 -36.031 -18.366 179 HG CYS 26 HG CYS 26 -7.695 -33.970 -17.022 180 H SER 27 H SER 27 -5.795 -37.752 -14.572 181 HA SER 27 HA SER 27 -8.502 -38.695 -14.088 182 HB2 SER 27 HB2 SER 27 -5.855 -39.748 -12.942 183 HB3 SER 27 HB3 SER 27 -7.476 -40.236 -12.396 184 HG SER 27 HG SER 27 -6.424 -40.548 -15.019 185 H ALA 28 H ALA 28 -7.021 -36.082 -14.282 186 HA ALA 28 HA ALA 28 -5.844 -35.203 -11.883 187 HB1 ALA 28 HB1 ALA 28 -6.755 -33.686 -14.341 188 HB2 ALA 28 HB2 ALA 28 -5.785 -33.035 -12.998 189 HB3 ALA 28 HB3 ALA 28 -5.120 -34.318 -14.034 190 H LEU 29 H LEU 29 -6.424 -33.158 -10.973 191 HA LEU 29 HA LEU 29 -8.652 -33.392 -9.404 192 HB2 LEU 29 HB2 LEU 29 -7.075 -30.873 -10.099 193 HB3 LEU 29 HB3 LEU 29 -8.123 -31.105 -8.679 194 HG LEU 29 HG LEU 29 -5.604 -32.702 -9.292 195 HD11 LEU 29 1HD1 LEU 29 -6.190 -30.514 -7.246 196 HD12 LEU 29 2HD1 LEU 29 -4.672 -31.436 -7.370 197 HD13 LEU 29 3HD1 LEU 29 -5.159 -30.339 -8.685 198 HD21 LEU 29 3HD2 LEU 29 -7.408 -32.655 -6.839 199 HD22 LEU 29 1HD2 LEU 29 -7.284 -33.986 -8.015 200 HD23 LEU 29 2HD2 LEU 29 -5.884 -33.562 -6.999 201 H GLN 30 H GLN 30 -8.366 -31.564 -12.552 202 HA GLN 30 HA GLN 30 -10.651 -29.978 -12.077 203 HB2 GLN 30 HB2 GLN 30 -9.651 -31.006 -14.748 204 HB3 GLN 30 HB3 GLN 30 -10.702 -29.605 -14.455 205 HG2 GLN 30 HG2 GLN 30 -8.915 -28.447 -13.272 206 HG3 GLN 30 HG3 GLN 30 -7.850 -29.860 -13.445 207 HE21 GLN 30 1HE2 GLN 30 -6.251 -29.006 -14.741 208 HE22 GLN 30 2HE2 GLN 30 -6.532 -28.411 -16.362 209 H TYR 31 H TYR 31 -10.532 -33.148 -13.871 210 HA TYR 31 HA TYR 31 -12.172 -34.494 -14.625 211 HB2 TYR 31 HB2 TYR 31 -13.648 -33.763 -12.086 212 HB3 TYR 31 HB3 TYR 31 -13.965 -35.144 -13.144 213 HD1 TYR 31 HD2 TYR 31 -12.068 -36.860 -13.476 214 HD2 TYR 31 HD1 TYR 31 -12.160 -33.977 -10.288 215 HE1 TYR 31 HE2 TYR 31 -10.516 -38.277 -12.159 216 HE2 TYR 31 HE1 TYR 31 -10.610 -35.383 -8.959 217 HH TYR 31 HH TYR 31 -9.362 -38.517 -10.187 218 H ARG 32 H ARG 32 -12.404 -31.777 -15.764 219 HA ARG 32 HA ARG 32 -15.030 -30.804 -15.523 220 HB2 ARG 32 HB2 ARG 32 -13.010 -30.382 -17.713 221 HB3 ARG 32 HB3 ARG 32 -14.552 -29.511 -17.545 222 HG2 ARG 32 HG2 ARG 32 -13.905 -28.646 -15.372 223 HG3 ARG 32 HG3 ARG 32 -12.431 -29.634 -15.379 224 HD2 ARG 32 HD2 ARG 32 -11.604 -28.407 -17.357 225 HD3 ARG 32 HD3 ARG 32 -13.081 -27.419 -17.362 226 HE ARG 32 HE ARG 32 -11.863 -27.257 -14.795 227 HH11 ARG 32 1HH1 ARG 32 -11.338 -26.231 -18.146 228 HH12 ARG 32 2HH1 ARG 32 -10.422 -24.809 -17.702 229 HH21 ARG 32 1HH2 ARG 32 -10.659 -25.387 -14.224 230 HH22 ARG 32 2HH2 ARG 32 -10.033 -24.329 -15.468 231 H ASN 33 H ASN 33 -13.983 -33.007 -18.209 232 HA ASN 33 HA ASN 33 -16.884 -33.170 -18.703 233 HB2 ASN 33 HB2 ASN 33 -15.994 -31.571 -20.349 234 HB3 ASN 33 HB3 ASN 33 -14.777 -32.754 -20.857 235 HD21 ASN 33 1HD2 ASN 33 -15.640 -32.639 -23.021 236 HD22 ASN 33 2HD2 ASN 33 -17.112 -33.488 -23.439 237 H GLY 34 H GLY 34 -13.942 -34.547 -20.300 238 HA2 GLY 34 HA2 GLY 34 -14.155 -37.075 -19.123 239 HA3 GLY 34 HA3 GLY 34 -15.082 -37.063 -20.639 240 H PHE 35 H PHE 35 -11.976 -37.500 -19.293 241 HA PHE 35 HA PHE 35 -10.365 -36.428 -21.357 242 HB2 PHE 35 HB2 PHE 35 -9.856 -37.134 -18.813 243 HB3 PHE 35 HB3 PHE 35 -9.277 -38.581 -19.648 244 HD1 PHE 35 HD1 PHE 35 -9.143 -34.844 -19.771 245 HD2 PHE 35 HD2 PHE 35 -7.098 -38.508 -20.583 246 HE1 PHE 35 HE1 PHE 35 -7.130 -33.552 -20.405 247 HE2 PHE 35 HE2 PHE 35 -5.032 -37.216 -21.148 248 HZ PHE 35 HZ PHE 35 -5.066 -34.749 -21.096 249 H TYR 36 H TYR 36 -12.434 -39.243 -21.304 250 HA TYR 36 HA TYR 36 -10.747 -40.586 -23.279 251 HB2 TYR 36 HB2 TYR 36 -13.543 -41.325 -22.345 252 HB3 TYR 36 HB3 TYR 36 -12.660 -42.122 -23.620 253 HD1 TYR 36 HD2 TYR 36 -11.165 -43.892 -23.202 254 HD2 TYR 36 HD1 TYR 36 -13.300 -41.987 -20.107 255 HE1 TYR 36 HE2 TYR 36 -10.357 -45.640 -21.624 256 HE2 TYR 36 HE1 TYR 36 -12.688 -43.786 -18.519 257 HH TYR 36 HH TYR 36 -11.430 -45.688 -18.200 258 H LEU 37 H LEU 37 -13.446 -38.317 -22.739 259 HA LEU 37 HA LEU 37 -15.236 -38.964 -24.744 260 HB2 LEU 37 HB2 LEU 37 -15.574 -37.562 -22.702 261 HB3 LEU 37 HB3 LEU 37 -14.844 -36.211 -23.574 262 HG LEU 37 HG LEU 37 -17.091 -37.727 -24.896 263 HD11 LEU 37 1HD1 LEU 37 -17.439 -35.703 -22.649 264 HD12 LEU 37 2HD1 LEU 37 -18.742 -36.356 -23.669 265 HD13 LEU 37 3HD1 LEU 37 -17.848 -37.429 -22.570 266 HD21 LEU 37 3HD2 LEU 37 -16.333 -34.772 -24.693 267 HD22 LEU 37 1HD2 LEU 37 -16.001 -35.828 -26.078 268 HD23 LEU 37 2HD2 LEU 37 -17.676 -35.429 -25.656 269 H LEU 38 H LEU 38 -12.657 -36.410 -25.362 270 HA LEU 38 HA LEU 38 -14.130 -35.849 -27.730 271 HB2 LEU 38 HB2 LEU 38 -11.248 -35.263 -27.293 272 HB3 LEU 38 HB3 LEU 38 -12.214 -34.820 -28.709 273 HG LEU 38 HG LEU 38 -12.755 -33.940 -25.845 274 HD11 LEU 38 1HD1 LEU 38 -11.801 -32.419 -28.313 275 HD12 LEU 38 2HD1 LEU 38 -12.077 -31.728 -26.697 276 HD13 LEU 38 3HD1 LEU 38 -10.767 -32.904 -26.955 277 HD21 LEU 38 3HD2 LEU 38 -14.156 -33.258 -28.470 278 HD22 LEU 38 1HD2 LEU 38 -14.871 -34.107 -27.077 279 HD23 LEU 38 2HD2 LEU 38 -14.410 -32.403 -26.931 280 H LYS 39 H LYS 39 -11.559 -38.313 -27.220 281 HA LYS 39 HA LYS 39 -12.321 -39.191 -29.911 282 HB2 LYS 39 HB2 LYS 39 -10.239 -37.849 -30.092 283 HB3 LYS 39 HB3 LYS 39 -9.480 -38.851 -28.845 284 HG2 LYS 39 HG2 LYS 39 -9.654 -40.834 -30.306 285 HG3 LYS 39 HG3 LYS 39 -10.466 -39.851 -31.551 286 HD2 LYS 39 HD2 LYS 39 -8.475 -38.386 -31.690 287 HD3 LYS 39 HD3 LYS 39 -7.670 -39.352 -30.433 288 HE2 LYS 39 HE2 LYS 39 -7.762 -41.340 -31.886 289 HE3 LYS 39 HE3 LYS 39 -8.593 -40.398 -33.141 290 HZ1 LYS 39 HZ1 LYS 39 -5.903 -39.856 -32.097 291 HZ2 LYS 39 HZ2 LYS 39 -6.670 -39.000 -33.279 292 HZ3 LYS 39 HZ3 LYS 39 -6.246 -40.572 -33.543 293 H TYR 40 H TYR 40 -12.901 -41.187 -30.031 294 HA TYR 40 HA TYR 40 -11.689 -43.113 -28.153 295 HB2 TYR 40 HB2 TYR 40 -14.108 -42.952 -27.787 296 HB3 TYR 40 HB3 TYR 40 -14.398 -43.356 -29.488 297 HD1 TYR 40 HD1 TYR 40 -12.438 -44.645 -26.547 298 HD2 TYR 40 HD2 TYR 40 -14.884 -45.582 -29.956 299 HE1 TYR 40 HE1 TYR 40 -12.304 -47.052 -25.970 300 HE2 TYR 40 HE2 TYR 40 -14.757 -47.993 -29.393 301 HH TYR 40 HH TYR 40 -12.924 -49.185 -26.544 302 H ASP 41 H ASP 41 -11.528 -41.754 -31.226 303 HA ASP 41 HA ASP 41 -10.781 -42.278 -33.227 304 HB2 ASP 41 HB2 ASP 41 -8.790 -42.959 -31.919 305 HB3 ASP 41 HB3 ASP 41 -9.404 -44.618 -31.895 306 H GLU 42 H GLU 42 -13.390 -42.918 -32.834 307 HA GLU 42 HA GLU 42 -13.686 -45.520 -34.165 308 HB2 GLU 42 HB2 GLU 42 -15.008 -45.256 -32.081 309 HB3 GLU 42 HB3 GLU 42 -15.776 -43.808 -32.751 310 HG2 GLU 42 HG2 GLU 42 -16.788 -45.144 -34.540 311 HG3 GLU 42 HG3 GLU 42 -15.931 -46.593 -33.972 312 H GLU 43 H GLU 43 -14.769 -45.418 -36.262 313 HA GLU 43 HA GLU 43 -14.551 -42.938 -37.652 314 HB2 GLU 43 HB2 GLU 43 -14.261 -45.069 -38.839 315 HB3 GLU 43 HB3 GLU 43 -15.939 -45.519 -38.471 316 HG2 GLU 43 HG2 GLU 43 -16.768 -43.605 -39.765 317 HG3 GLU 43 HG3 GLU 43 -15.106 -43.049 -40.047 318 H TRP 44 H TRP 44 -16.117 -41.380 -37.918 319 HA TRP 44 HA TRP 44 -18.782 -42.004 -36.821 320 HB2 TRP 44 HB2 TRP 44 -17.252 -39.423 -36.585 321 HB3 TRP 44 HB3 TRP 44 -19.010 -39.538 -36.434 322 HD1 TRP 44 HD1 TRP 44 -15.833 -40.262 -34.512 323 HE1 TRP 44 HE1 TRP 44 -16.404 -41.066 -32.160 324 HE3 TRP 44 HE3 TRP 44 -20.863 -40.888 -35.107 325 HZ2 TRP 44 HZ2 TRP 44 -18.778 -41.920 -30.710 326 HZ3 TRP 44 HZ3 TRP 44 -22.251 -41.719 -33.240 327 HH2 TRP 44 HH2 TRP 44 -21.232 -42.251 -31.061 328 H PTR 45 H PTR 45 -20.491 -41.631 -37.846 329 HA PTR 45 HA PTR 45 -21.844 -41.428 -39.595 330 HB2 PTR 45 HB2 PTR 45 -20.795 -38.639 -39.564 331 HB3 PTR 45 HB3 PTR 45 -22.258 -39.222 -40.370 332 HD1 PTR 45 HD1 PTR 45 -20.752 -38.281 -37.180 333 HD2 PTR 45 HD2 PTR 45 -24.157 -40.126 -39.046 334 HE1 PTR 45 HE1 PTR 45 -22.037 -38.018 -35.076 335 HE2 PTR 45 HE2 PTR 45 -25.456 -39.865 -36.949 336 HA PRO 46 HA PRO 46 -19.142 -42.155 -43.106 337 HB2 PRO 46 HB2 PRO 46 -19.315 -44.860 -43.393 338 HB3 PRO 46 HB3 PRO 46 -18.163 -44.102 -42.239 339 HG2 PRO 46 HG2 PRO 46 -20.931 -45.205 -41.652 340 HG3 PRO 46 HG3 PRO 46 -19.402 -45.543 -40.774 341 HD2 PRO 46 HD2 PRO 46 -21.193 -43.644 -39.927 342 HD3 PRO 46 HD3 PRO 46 -19.422 -43.420 -39.745 343 H GLU 47 H GLU 47 -20.728 -40.923 -44.083 344 HA GLU 47 HA GLU 47 -23.403 -41.533 -44.420 345 HB2 GLU 47 HB2 GLU 47 -21.578 -39.866 -46.195 346 HB3 GLU 47 HB3 GLU 47 -23.355 -39.867 -46.236 347 HG2 GLU 47 HG2 GLU 47 -23.407 -39.135 -43.868 348 HG3 GLU 47 HG3 GLU 47 -21.632 -39.104 -43.841 349 H GLU 48 H GLU 48 -20.569 -42.308 -46.545 350 HA GLU 48 HA GLU 48 -22.029 -43.235 -48.727 351 HB2 GLU 48 HB2 GLU 48 -19.318 -44.172 -47.699 352 HB3 GLU 48 HB3 GLU 48 -20.027 -44.589 -49.273 353 HG2 GLU 48 HG2 GLU 48 -20.135 -42.161 -49.837 354 HG3 GLU 48 HG3 GLU 48 -19.311 -41.795 -48.306 355 H LEU 49 H LEU 49 -20.769 -44.967 -45.787 356 HA LEU 49 HA LEU 49 -21.601 -47.537 -46.633 357 HB2 LEU 49 HB2 LEU 49 -21.122 -46.591 -43.806 358 HB3 LEU 49 HB3 LEU 49 -21.235 -48.270 -44.375 359 HG LEU 49 HG LEU 49 -19.125 -46.230 -45.212 360 HD11 LEU 49 1HD1 LEU 49 -18.948 -48.739 -43.491 361 HD12 LEU 49 2HD1 LEU 49 -17.591 -47.678 -43.939 362 HD13 LEU 49 3HD1 LEU 49 -18.888 -47.067 -42.889 363 HD21 LEU 49 3HD2 LEU 49 -19.459 -49.174 -45.929 364 HD22 LEU 49 1HD2 LEU 49 -19.577 -47.794 -47.048 365 HD23 LEU 49 2HD2 LEU 49 -18.023 -48.188 -46.291 366 H LEU 50 H LEU 50 -23.217 -45.012 -44.626 367 HA LEU 50 HA LEU 50 -25.401 -46.607 -43.852 368 HB2 LEU 50 HB2 LEU 50 -25.175 -43.605 -44.197 369 HB3 LEU 50 HB3 LEU 50 -26.563 -44.435 -43.469 370 HG LEU 50 HG LEU 50 -23.710 -44.712 -42.436 371 HD11 LEU 50 1HD1 LEU 50 -25.974 -42.924 -41.458 372 HD12 LEU 50 2HD1 LEU 50 -24.402 -43.150 -40.654 373 HD13 LEU 50 3HD1 LEU 50 -24.479 -42.373 -42.251 374 HD21 LEU 50 3HD2 LEU 50 -26.425 -45.403 -41.239 375 HD22 LEU 50 1HD2 LEU 50 -25.202 -46.565 -41.805 376 HD23 LEU 50 2HD2 LEU 50 -24.863 -45.538 -40.399 377 H TPO 51 H TPO 51 -24.884 -44.474 -46.714 378 HA TPO 51 HA TPO 51 -27.542 -44.787 -47.696 379 HB TPO 51 HB TPO 51 -25.751 -42.932 -48.133 380 HG21 TPO 51 1HG2 TPO 51 -25.116 -44.992 -50.290 381 HG22 TPO 51 2HG2 TPO 51 -24.567 -43.299 -50.291 382 HG23 TPO 51 3HG2 TPO 51 -23.999 -44.413 -49.030 383 H ASP 52 H ASP 52 -28.335 -46.306 -49.206 384 HA ASP 52 HA ASP 52 -26.870 -48.734 -49.489 385 HB2 ASP 52 HB2 ASP 52 -29.377 -47.893 -50.956 386 HB3 ASP 52 HB3 ASP 52 -28.677 -49.523 -50.875 387 H GLY 53 H GLY 53 -25.655 -49.512 -51.074 388 HA2 GLY 53 HA2 GLY 53 -25.648 -48.849 -53.737 389 HA3 GLY 53 HA3 GLY 53 -24.524 -47.713 -52.951 390 H GLU 54 H GLU 54 -22.868 -48.826 -54.269 391 HA GLU 54 HA GLU 54 -22.192 -51.545 -53.897 392 HB2 GLU 54 HB2 GLU 54 -20.320 -49.337 -54.767 393 HB3 GLU 54 HB3 GLU 54 -20.130 -51.079 -54.956 394 HG2 GLU 54 HG2 GLU 54 -20.811 -50.389 -57.068 395 HG3 GLU 54 HG3 GLU 54 -22.298 -51.023 -56.345 396 H ASP 55 H ASP 55 -20.528 -52.517 -52.788 397 HA ASP 55 HA ASP 55 -20.200 -51.688 -50.124 398 HB2 ASP 55 HB2 ASP 55 -18.616 -53.766 -51.649 399 HB3 ASP 55 HB3 ASP 55 -18.728 -53.582 -49.887 400 H ASP 56 H ASP 56 -17.922 -51.431 -52.940 401 HA ASP 56 HA ASP 56 -16.294 -49.750 -51.125 402 HB2 ASP 56 HB2 ASP 56 -15.227 -51.607 -53.286 403 HB3 ASP 56 HB3 ASP 56 -14.276 -50.426 -52.365 404 H VAL 57 H VAL 57 -15.022 -48.121 -52.259 405 HA VAL 57 HA VAL 57 -16.503 -46.578 -54.107 406 HB VAL 57 HB VAL 57 -13.621 -46.363 -53.204 407 HG11 VAL 57 1HG1 VAL 57 -15.453 -44.402 -54.651 408 HG12 VAL 57 2HG1 VAL 57 -13.849 -44.011 -53.988 409 HG13 VAL 57 3HG1 VAL 57 -13.995 -45.170 -55.325 410 HG21 VAL 57 3HG2 VAL 57 -16.182 -44.971 -52.298 411 HG22 VAL 57 1HG2 VAL 57 -15.264 -46.176 -51.363 412 HG23 VAL 57 2HG2 VAL 57 -14.541 -44.593 -51.725 413 H PHE 58 H PHE 58 -13.693 -48.791 -54.403 414 HA PHE 58 HA PHE 58 -13.126 -48.299 -57.118 415 HB2 PHE 58 HB2 PHE 58 -12.547 -50.768 -55.459 416 HB3 PHE 58 HB3 PHE 58 -11.792 -50.319 -56.995 417 HD1 PHE 58 HD1 PHE 58 -12.103 -49.434 -53.401 418 HD2 PHE 58 HD2 PHE 58 -10.033 -48.676 -57.093 419 HE1 PHE 58 HE1 PHE 58 -10.394 -48.122 -52.173 420 HE2 PHE 58 HE2 PHE 58 -8.321 -47.368 -55.863 421 HZ PHE 58 HZ PHE 58 -8.504 -47.087 -53.404 422 H ASP 59 H ASP 59 -15.592 -50.351 -55.588 423 HA ASP 59 HA ASP 59 -15.848 -52.252 -57.626 424 HB2 ASP 59 HB2 ASP 59 -17.880 -51.252 -55.618 425 HB3 ASP 59 HB3 ASP 59 -18.101 -52.641 -56.693 426 HA PRO 60 HA PRO 60 -19.277 -49.941 -59.799 427 HB2 PRO 60 HB2 PRO 60 -19.470 -47.191 -59.731 428 HB3 PRO 60 HB3 PRO 60 -20.374 -48.299 -58.639 429 HG2 PRO 60 HG2 PRO 60 -17.756 -46.868 -58.098 430 HG3 PRO 60 HG3 PRO 60 -19.199 -46.971 -57.035 431 HD2 PRO 60 HD2 PRO 60 -17.073 -48.623 -56.665 432 HD3 PRO 60 HD3 PRO 60 -18.741 -49.243 -56.503 433 H ASP 61 H ASP 61 -18.992 -49.846 -61.879 434 HA ASP 61 HA ASP 61 -17.908 -49.821 -63.826 435 HB2 ASP 61 HB2 ASP 61 -17.240 -46.985 -63.103 436 HB3 ASP 61 HB3 ASP 61 -17.208 -47.729 -64.716 437 H LEU 62 H LEU 62 -16.479 -51.304 -62.067 438 HA LEU 62 HA LEU 62 -13.726 -50.420 -62.214 439 HB2 LEU 62 HB2 LEU 62 -14.511 -51.733 -60.240 440 HB3 LEU 62 HB3 LEU 62 -14.923 -53.078 -61.314 441 HG LEU 62 HG LEU 62 -12.521 -53.209 -62.021 442 HD11 LEU 62 1HD1 LEU 62 -12.154 -51.133 -59.814 443 HD12 LEU 62 2HD1 LEU 62 -10.839 -52.025 -60.612 444 HD13 LEU 62 3HD1 LEU 62 -11.830 -50.890 -61.549 445 HD21 LEU 62 3HD2 LEU 62 -13.025 -53.362 -59.020 446 HD22 LEU 62 1HD2 LEU 62 -13.414 -54.630 -60.207 447 HD23 LEU 62 2HD2 LEU 62 -11.719 -54.189 -59.901 448 H ASP 63 H ASP 63 -12.590 -50.807 -64.117 449 HA ASP 63 HA ASP 63 -13.721 -52.757 -65.998 450 HB2 ASP 63 HB2 ASP 63 -11.669 -50.560 -66.476 451 HB3 ASP 63 HB3 ASP 63 -12.289 -51.694 -67.691 452 H MET 64 H MET 64 -12.645 -54.660 -66.154 453 HA MET 64 HA MET 64 -9.934 -54.780 -65.006 454 HB2 MET 64 HB2 MET 64 -11.615 -56.114 -63.729 455 HB3 MET 64 HB3 MET 64 -11.998 -57.016 -65.208 456 HG2 MET 64 HG2 MET 64 -10.378 -58.204 -63.748 457 HG3 MET 64 HG3 MET 64 -9.728 -57.858 -65.352 458 HE1 MET 64 HE1 MET 64 -9.912 -56.500 -61.648 459 HE2 MET 64 HE2 MET 64 -8.620 -55.277 -61.659 460 HE3 MET 64 HE3 MET 64 -10.084 -55.026 -62.634 461 H GLU 65 H GLU 65 -8.369 -55.425 -66.368 462 HA GLU 65 HA GLU 65 -9.110 -56.084 -69.127 463 HB2 GLU 65 HB2 GLU 65 -6.444 -55.202 -67.925 464 HB3 GLU 65 HB3 GLU 65 -6.723 -55.614 -69.633 465 HG2 GLU 65 HG2 GLU 65 -8.409 -53.808 -69.792 466 HG3 GLU 65 HG3 GLU 65 -8.125 -53.390 -68.090 467 H VAL 66 H VAL 66 -8.989 -58.270 -69.608 468 HA VAL 66 HA VAL 66 -7.336 -59.955 -67.838 469 HB VAL 66 HB VAL 66 -9.849 -60.669 -69.377 470 HG11 VAL 66 1HG1 VAL 66 -8.002 -62.331 -67.610 471 HG12 VAL 66 2HG1 VAL 66 -9.589 -62.861 -68.215 472 HG13 VAL 66 3HG1 VAL 66 -8.272 -62.540 -69.358 473 HG21 VAL 66 3HG2 VAL 66 -9.243 -60.459 -66.394 474 HG22 VAL 66 1HG2 VAL 66 -10.270 -59.349 -67.331 475 HG23 VAL 66 2HG2 VAL 66 -10.769 -61.039 -67.102 476 H VAL 67 H VAL 67 -5.639 -60.880 -68.810 477 HA VAL 67 HA VAL 67 -5.063 -60.491 -71.590 478 HB VAL 67 HB VAL 67 -3.016 -61.649 -71.183 479 HG11 VAL 67 1HG1 VAL 67 -3.701 -59.610 -69.023 480 HG12 VAL 67 2HG1 VAL 67 -2.069 -60.018 -69.602 481 HG13 VAL 67 3HG1 VAL 67 -3.229 -59.231 -70.696 482 HG21 VAL 67 3HG2 VAL 67 -4.070 -62.001 -68.343 483 HG22 VAL 67 1HG2 VAL 67 -3.799 -63.304 -69.521 484 HG23 VAL 67 2HG2 VAL 67 -2.422 -62.375 -68.896 485 H PHE 68 H PHE 68 -6.618 -63.085 -69.827 486 HA PHE 68 HA PHE 68 -7.364 -65.109 -70.362 487 HB2 PHE 68 HB2 PHE 68 -7.266 -64.276 -73.259 488 HB3 PHE 68 HB3 PHE 68 -8.122 -65.660 -72.566 489 HD1 PHE 68 HD2 PHE 68 -10.069 -65.283 -71.030 490 HD2 PHE 68 HD1 PHE 68 -8.192 -62.070 -73.181 491 HE1 PHE 68 HE2 PHE 68 -12.054 -63.853 -70.628 492 HE2 PHE 68 HE1 PHE 68 -10.178 -60.641 -72.780 493 HZ PHE 68 HZ PHE 68 -12.110 -61.531 -71.502 494 H GLU 69 H GLU 69 -4.615 -64.808 -69.864 495 HA GLU 69 HA GLU 69 -2.621 -65.770 -69.989 496 HB2 GLU 69 HB2 GLU 69 -4.168 -68.205 -70.859 497 HB3 GLU 69 HB3 GLU 69 -2.506 -68.157 -70.230 498 HG2 GLU 69 HG2 GLU 69 -3.332 -67.169 -68.117 499 HG3 GLU 69 HG3 GLU 69 -4.994 -67.230 -68.736 500 H THR 70 H THR 70 -3.216 -64.124 -72.229 501 HA THR 70 HA THR 70 -1.839 -65.581 -74.375 502 HB THR 70 HB THR 70 -3.350 -62.950 -74.448 503 HG1 THR 70 HG1 THR 70 -4.814 -64.206 -75.678 504 HG21 THR 70 1HG2 THR 70 -2.071 -64.641 -76.639 505 HG22 THR 70 2HG2 THR 70 -3.053 -63.180 -76.900 506 HG23 THR 70 3HG2 THR 70 -1.488 -63.060 -76.066 507 H GLN 71 H GLN 71 0.323 -64.974 -74.493 508 HA GLN 71 HA GLN 71 1.146 -62.503 -73.123 509 HB2 GLN 71 HB2 GLN 71 2.062 -64.471 -71.980 510 HB3 GLN 71 HB3 GLN 71 2.689 -65.110 -73.512 511 HG2 GLN 71 HG2 GLN 71 4.165 -63.154 -73.749 512 HG3 GLN 71 HG3 GLN 71 3.492 -62.447 -72.267 513 HE21 GLN 71 2HE2 GLN 71 5.754 -64.733 -73.615 514 HE22 GLN 71 1HE2 GLN 71 6.419 -65.308 -72.102 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -25.368 -46.251 -23.221 2 H2 GLY 1 H2 GLY 1 -26.924 -46.767 -23.647 3 H3 GLY 1 H3 GLY 1 -26.232 -45.445 -24.440 4 HA2 GLY 1 HA3 GLY 1 -27.219 -45.585 -21.660 5 HA3 GLY 1 HA2 GLY 1 -26.147 -44.285 -22.230 6 H SER 2 H SER 2 -29.309 -45.328 -21.877 7 HA SER 2 HA SER 2 -30.615 -44.308 -24.167 8 HB2 SER 2 HB2 SER 2 -32.635 -44.436 -22.760 9 HB3 SER 2 HB3 SER 2 -31.681 -45.935 -22.664 10 HG SER 2 HG SER 2 -32.366 -45.186 -20.613 11 H THR 3 H THR 3 -29.748 -42.952 -20.953 12 HA THR 3 HA THR 3 -30.863 -40.361 -21.600 13 HB THR 3 HB THR 3 -31.058 -41.292 -19.326 14 HG1 THR 3 HG1 THR 3 -31.050 -39.042 -19.760 15 HG21 THR 3 1HG2 THR 3 -28.046 -40.848 -19.290 16 HG22 THR 3 2HG2 THR 3 -29.057 -41.253 -17.883 17 HG23 THR 3 3HG2 THR 3 -28.868 -42.425 -19.208 18 H ALA 4 H ALA 4 -29.335 -38.388 -21.228 19 HA ALA 4 HA ALA 4 -27.112 -38.800 -23.044 20 HB1 ALA 4 HB1 ALA 4 -28.014 -36.266 -21.632 21 HB2 ALA 4 HB2 ALA 4 -26.748 -36.390 -22.877 22 HB3 ALA 4 HB3 ALA 4 -28.442 -36.745 -23.292 23 H MET 5 H MET 5 -25.247 -39.546 -22.267 24 HA MET 5 HA MET 5 -24.575 -39.041 -19.461 25 HB2 MET 5 HB2 MET 5 -23.364 -40.980 -21.502 26 HB3 MET 5 HB3 MET 5 -22.828 -40.788 -19.816 27 HG2 MET 5 HG2 MET 5 -25.594 -41.691 -20.722 28 HG3 MET 5 HG3 MET 5 -24.320 -42.736 -20.046 29 HE1 MET 5 HE1 MET 5 -23.145 -40.836 -17.764 30 HE2 MET 5 HE2 MET 5 -24.066 -41.441 -16.367 31 HE3 MET 5 HE3 MET 5 -23.431 -42.583 -17.573 32 H ALA 6 H ALA 6 -23.459 -37.069 -19.487 33 HA ALA 6 HA ALA 6 -22.214 -35.322 -20.116 34 HB1 ALA 6 HB1 ALA 6 -20.280 -37.433 -21.036 35 HB2 ALA 6 HB2 ALA 6 -19.936 -35.704 -20.793 36 HB3 ALA 6 HB3 ALA 6 -20.401 -36.722 -19.409 37 H THR 7 H THR 7 -24.265 -35.633 -21.784 38 HA THR 7 HA THR 7 -25.159 -34.844 -23.640 39 HB THR 7 HB THR 7 -24.189 -33.394 -25.135 40 HG1 THR 7 HG1 THR 7 -22.128 -34.368 -25.276 41 HG21 THR 7 1HG2 THR 7 -23.274 -32.869 -22.279 42 HG22 THR 7 2HG2 THR 7 -23.502 -31.638 -23.543 43 HG23 THR 7 3HG2 THR 7 -24.900 -32.551 -22.928 44 H THR 8 H THR 8 -22.060 -36.485 -24.661 45 HA THR 8 HA THR 8 -23.817 -37.685 -26.721 46 HB THR 8 HB THR 8 -20.852 -37.159 -26.912 47 HG1 THR 8 HG1 THR 8 -21.589 -35.601 -28.436 48 HG21 THR 8 1HG2 THR 8 -22.919 -38.127 -28.932 49 HG22 THR 8 2HG2 THR 8 -21.205 -37.792 -29.273 50 HG23 THR 8 3HG2 THR 8 -21.650 -39.127 -28.184 51 H MET 9 H MET 9 -23.770 -39.846 -27.008 52 HA MET 9 HA MET 9 -22.380 -41.453 -24.986 53 HB2 MET 9 HB2 MET 9 -24.923 -41.488 -25.086 54 HB3 MET 9 HB3 MET 9 -24.769 -42.256 -26.683 55 HG2 MET 9 HG2 MET 9 -25.109 -43.930 -24.930 56 HG3 MET 9 HG3 MET 9 -23.498 -44.107 -25.668 57 HE1 MET 9 HE1 MET 9 -22.229 -45.416 -24.042 58 HE2 MET 9 HE2 MET 9 -22.424 -45.297 -22.278 59 HE3 MET 9 HE3 MET 9 -23.808 -45.758 -23.297 60 H GLU 10 H GLU 10 -21.632 -43.457 -25.462 61 HA GLU 10 HA GLU 10 -20.429 -45.046 -26.382 62 HB2 GLU 10 HB2 GLU 10 -21.269 -44.068 -29.096 63 HB3 GLU 10 HB3 GLU 10 -20.449 -45.597 -28.698 64 HG2 GLU 10 HG2 GLU 10 -22.379 -46.230 -27.260 65 HG3 GLU 10 HG3 GLU 10 -23.201 -44.723 -27.728 66 H GLN 11 H GLN 11 -19.543 -41.814 -26.697 67 HA GLN 11 HA GLN 11 -16.954 -42.647 -27.785 68 HB2 GLN 11 HB2 GLN 11 -16.503 -40.305 -28.128 69 HB3 GLN 11 HB3 GLN 11 -17.916 -40.902 -29.030 70 HG2 GLN 11 HG2 GLN 11 -19.391 -39.875 -27.335 71 HG3 GLN 11 HG3 GLN 11 -17.954 -39.220 -26.516 72 HE21 GLN 11 1HE2 GLN 11 -17.245 -37.228 -27.158 73 HE22 GLN 11 2HE2 GLN 11 -17.655 -36.457 -28.675 74 H GLU 12 H GLU 12 -18.302 -42.856 -24.878 75 HA GLU 12 HA GLU 12 -17.607 -43.183 -22.815 76 HB2 GLU 12 HB2 GLU 12 -14.888 -43.495 -23.947 77 HB3 GLU 12 HB3 GLU 12 -15.405 -43.845 -22.281 78 HG2 GLU 12 HG2 GLU 12 -17.146 -45.396 -23.215 79 HG3 GLU 12 HG3 GLU 12 -16.450 -45.128 -24.832 80 H ILE 13 H ILE 13 -16.224 -42.457 -20.826 81 HA ILE 13 HA ILE 13 -15.827 -39.550 -21.137 82 HB ILE 13 HB ILE 13 -17.464 -40.894 -18.909 83 HG12 ILE 13 2HG1 ILE 13 -18.466 -39.028 -21.099 84 HG13 ILE 13 3HG1 ILE 13 -18.645 -40.798 -21.144 85 HG21 ILE 13 1HG2 ILE 13 -16.892 -37.961 -19.544 86 HG22 ILE 13 2HG2 ILE 13 -17.925 -38.554 -18.221 87 HG23 ILE 13 3HG2 ILE 13 -16.178 -38.893 -18.205 88 HD11 ILE 13 3HD1 ILE 13 -19.938 -40.722 -19.046 89 HD12 ILE 13 1HD1 ILE 13 -19.759 -38.951 -19.001 90 HD13 ILE 13 2HD1 ILE 13 -20.689 -39.718 -20.310 91 H CYS 14 H CYS 14 -13.836 -39.035 -20.022 92 HA CYS 14 HA CYS 14 -13.148 -40.650 -17.648 93 HB2 CYS 14 HB2 CYS 14 -11.614 -41.434 -19.299 94 HB3 CYS 14 HB3 CYS 14 -11.126 -39.766 -19.684 95 HG CYS 14 HG CYS 14 -9.291 -40.912 -18.205 96 H ALA 15 H ALA 15 -10.760 -38.217 -18.251 97 HA ALA 15 HA ALA 15 -11.999 -36.455 -16.310 98 HB1 ALA 15 HB1 ALA 15 -9.161 -36.621 -17.348 99 HB2 ALA 15 HB2 ALA 15 -9.762 -35.510 -16.094 100 HB3 ALA 15 HB3 ALA 15 -9.761 -37.265 -15.802 101 H HIS 16 H HIS 16 -9.849 -35.531 -19.253 102 HA HIS 16 HA HIS 16 -12.060 -33.699 -19.900 103 HB2 HIS 16 HB2 HIS 16 -10.803 -31.690 -19.947 104 HB3 HIS 16 HB3 HIS 16 -10.986 -32.346 -18.303 105 HD1 HIS 16 HD1 HIS 16 -8.854 -33.104 -17.126 106 HD2 HIS 16 HD2 HIS 16 -8.255 -31.366 -20.905 107 HE1 HIS 16 HE1 HIS 16 -6.375 -32.399 -17.257 108 H SER 17 H SER 17 -12.695 -34.360 -21.713 109 HA SER 17 HA SER 17 -12.789 -34.624 -23.906 110 HB2 SER 17 HB2 SER 17 -11.433 -31.938 -23.684 111 HB3 SER 17 HB3 SER 17 -12.334 -32.551 -25.092 112 HG SER 17 HG SER 17 -13.623 -31.273 -23.690 113 H MET 18 H MET 18 -11.061 -36.593 -23.672 114 HA MET 18 HA MET 18 -9.521 -36.052 -26.116 115 HB2 MET 18 HB2 MET 18 -8.042 -36.662 -23.694 116 HB3 MET 18 HB3 MET 18 -7.584 -37.425 -25.235 117 HG2 MET 18 HG2 MET 18 -6.322 -35.451 -25.124 118 HG3 MET 18 HG3 MET 18 -7.661 -35.067 -26.231 119 HE1 MET 18 HE1 MET 18 -7.073 -32.605 -26.193 120 HE2 MET 18 HE2 MET 18 -6.840 -31.654 -24.706 121 HE3 MET 18 HE3 MET 18 -5.703 -32.961 -25.114 122 H THR 19 H THR 19 -8.544 -39.059 -24.771 123 HA THR 19 HA THR 19 -10.267 -40.393 -26.691 124 HB THR 19 HB THR 19 -7.237 -40.650 -26.855 125 HG1 THR 19 HG1 THR 19 -7.997 -38.584 -27.551 126 HG21 THR 19 1HG2 THR 19 -9.426 -41.576 -28.737 127 HG22 THR 19 2HG2 THR 19 -7.673 -41.762 -28.982 128 HG23 THR 19 3HG2 THR 19 -8.479 -42.613 -27.643 129 H PHE 20 H PHE 20 -10.032 -42.788 -26.473 130 HA PHE 20 HA PHE 20 -10.077 -43.712 -23.872 131 HB2 PHE 20 HB2 PHE 20 -11.109 -44.865 -25.842 132 HB3 PHE 20 HB3 PHE 20 -9.491 -45.176 -26.515 133 HD1 PHE 20 HD2 PHE 20 -8.048 -46.889 -25.586 134 HD2 PHE 20 HD1 PHE 20 -11.964 -46.149 -23.981 135 HE1 PHE 20 HE2 PHE 20 -7.975 -49.065 -24.397 136 HE2 PHE 20 HE1 PHE 20 -11.894 -48.323 -22.799 137 HZ PHE 20 HZ PHE 20 -9.904 -49.787 -23.010 138 H GLU 21 H GLU 21 -7.440 -43.883 -26.365 139 HA GLU 21 HA GLU 21 -5.577 -45.272 -24.800 140 HB2 GLU 21 HB2 GLU 21 -5.096 -43.337 -27.093 141 HB3 GLU 21 HB3 GLU 21 -3.934 -44.514 -26.435 142 HG2 GLU 21 HG2 GLU 21 -5.455 -46.362 -27.059 143 HG3 GLU 21 HG3 GLU 21 -6.617 -45.185 -27.715 144 H GLU 22 H GLU 22 -6.322 -41.829 -25.269 145 HA GLU 22 HA GLU 22 -4.105 -40.803 -23.818 146 HB2 GLU 22 HB2 GLU 22 -6.729 -39.546 -24.698 147 HB3 GLU 22 HB3 GLU 22 -5.346 -38.672 -23.997 148 HG2 GLU 22 HG2 GLU 22 -5.199 -40.333 -26.536 149 HG3 GLU 22 HG3 GLU 22 -5.467 -38.574 -26.501 150 H CYS 23 H CYS 23 -7.162 -42.178 -22.724 151 HA CYS 23 HA CYS 23 -7.753 -40.611 -20.570 152 HB2 CYS 23 HB2 CYS 23 -9.221 -42.380 -21.192 153 HB3 CYS 23 HB3 CYS 23 -7.965 -43.608 -20.907 154 HG CYS 23 HG CYS 23 -9.808 -43.789 -19.123 155 HA PRO 24 HA PRO 24 -4.948 -42.890 -17.522 156 HB2 PRO 24 HB2 PRO 24 -2.512 -43.817 -18.326 157 HB3 PRO 24 HB3 PRO 24 -3.950 -44.846 -18.121 158 HG2 PRO 24 HG2 PRO 24 -2.838 -43.593 -20.675 159 HG3 PRO 24 HG3 PRO 24 -3.471 -45.240 -20.442 160 HD2 PRO 24 HD2 PRO 24 -5.025 -43.299 -21.555 161 HD3 PRO 24 HD3 PRO 24 -5.721 -44.531 -20.477 162 H LYS 25 H LYS 25 -3.638 -40.981 -20.270 163 HA LYS 25 HA LYS 25 -1.593 -39.688 -18.829 164 HB2 LYS 25 HB2 LYS 25 -3.220 -38.560 -21.118 165 HB3 LYS 25 HB3 LYS 25 -1.704 -37.903 -20.456 166 HG2 LYS 25 HG2 LYS 25 -0.575 -40.074 -21.004 167 HG3 LYS 25 HG3 LYS 25 -2.084 -40.628 -21.769 168 HD2 LYS 25 HD2 LYS 25 -1.994 -38.702 -23.328 169 HD3 LYS 25 HD3 LYS 25 -0.477 -38.164 -22.569 170 HE2 LYS 25 HE2 LYS 25 0.006 -39.419 -24.621 171 HE3 LYS 25 HE3 LYS 25 0.579 -40.328 -23.202 172 HZ1 LYS 25 HZ1 LYS 25 -1.398 -41.638 -23.321 173 HZ2 LYS 25 HZ2 LYS 25 -1.934 -40.796 -24.634 174 HZ3 LYS 25 HZ3 LYS 25 -0.568 -41.714 -24.744 175 H CYS 26 H CYS 26 -5.139 -38.942 -19.406 176 HA CYS 26 HA CYS 26 -4.726 -37.124 -17.107 177 HB2 CYS 26 HB2 CYS 26 -4.947 -35.596 -18.755 178 HB3 CYS 26 HB3 CYS 26 -6.431 -36.364 -19.367 179 HG CYS 26 HG CYS 26 -7.027 -34.204 -18.044 180 H SER 27 H SER 27 -5.032 -37.960 -15.629 181 HA SER 27 HA SER 27 -7.707 -38.743 -14.800 182 HB2 SER 27 HB2 SER 27 -4.996 -39.873 -13.903 183 HB3 SER 27 HB3 SER 27 -6.565 -40.254 -13.156 184 HG SER 27 HG SER 27 -5.831 -40.738 -15.860 185 H ALA 28 H ALA 28 -6.142 -36.219 -15.292 186 HA ALA 28 HA ALA 28 -4.663 -35.290 -13.086 187 HB1 ALA 28 HB1 ALA 28 -5.778 -33.844 -15.502 188 HB2 ALA 28 HB2 ALA 28 -4.635 -33.181 -14.311 189 HB3 ALA 28 HB3 ALA 28 -4.148 -34.543 -15.347 190 H LEU 29 H LEU 29 -5.045 -33.179 -12.223 191 HA LEU 29 HA LEU 29 -7.089 -33.229 -10.407 192 HB2 LEU 29 HB2 LEU 29 -5.491 -30.827 -11.401 193 HB3 LEU 29 HB3 LEU 29 -6.380 -30.941 -9.863 194 HG LEU 29 HG LEU 29 -4.020 -32.689 -10.669 195 HD11 LEU 29 1HD1 LEU 29 -4.272 -30.382 -8.686 196 HD12 LEU 29 2HD1 LEU 29 -2.821 -31.383 -8.930 197 HD13 LEU 29 3HD1 LEU 29 -3.404 -30.325 -10.237 198 HD21 LEU 29 3HD2 LEU 29 -5.530 -32.439 -8.037 199 HD22 LEU 29 1HD2 LEU 29 -5.600 -33.827 -9.150 200 HD23 LEU 29 2HD2 LEU 29 -4.077 -33.427 -8.319 201 H GLN 30 H GLN 30 -7.027 -31.518 -13.618 202 HA GLN 30 HA GLN 30 -9.191 -29.837 -13.017 203 HB2 GLN 30 HB2 GLN 30 -8.360 -30.928 -15.718 204 HB3 GLN 30 HB3 GLN 30 -9.343 -29.482 -15.394 205 HG2 GLN 30 HG2 GLN 30 -7.451 -28.479 -14.148 206 HG3 GLN 30 HG3 GLN 30 -6.458 -29.904 -14.508 207 HE21 GLN 30 1HE2 GLN 30 -6.136 -27.000 -15.241 208 HE22 GLN 30 2HE2 GLN 30 -5.963 -26.993 -16.983 209 H TYR 31 H TYR 31 -9.422 -33.101 -14.671 210 HA TYR 31 HA TYR 31 -11.242 -34.319 -15.208 211 HB2 TYR 31 HB2 TYR 31 -12.338 -33.378 -12.554 212 HB3 TYR 31 HB3 TYR 31 -12.944 -34.723 -13.530 213 HD1 TYR 31 HD2 TYR 31 -11.315 -36.638 -14.081 214 HD2 TYR 31 HD1 TYR 31 -10.673 -33.775 -10.939 215 HE1 TYR 31 HE2 TYR 31 -9.771 -38.224 -12.963 216 HE2 TYR 31 HE1 TYR 31 -9.131 -35.351 -9.807 217 HH TYR 31 HH TYR 31 -8.142 -37.423 -9.865 218 H ARG 32 H ARG 32 -11.369 -31.666 -16.466 219 HA ARG 32 HA ARG 32 -13.872 -30.462 -16.011 220 HB2 ARG 32 HB2 ARG 32 -12.109 -30.283 -18.442 221 HB3 ARG 32 HB3 ARG 32 -13.613 -29.372 -18.181 222 HG2 ARG 32 HG2 ARG 32 -12.676 -28.524 -16.015 223 HG3 ARG 32 HG3 ARG 32 -11.126 -29.285 -16.437 224 HD2 ARG 32 HD2 ARG 32 -12.597 -27.216 -18.124 225 HD3 ARG 32 HD3 ARG 32 -11.242 -26.857 -17.044 226 HE ARG 32 HE ARG 32 -11.115 -28.491 -19.539 227 HH11 ARG 32 1HH1 ARG 32 -9.517 -26.654 -16.964 228 HH12 ARG 32 2HH1 ARG 32 -7.947 -26.694 -17.737 229 HH21 ARG 32 1HH2 ARG 32 -9.056 -28.534 -20.543 230 HH22 ARG 32 2HH2 ARG 32 -7.686 -27.760 -19.774 231 H ASN 33 H ASN 33 -13.300 -32.998 -18.563 232 HA ASN 33 HA ASN 33 -16.230 -32.859 -18.765 233 HB2 ASN 33 HB2 ASN 33 -15.227 -31.405 -20.550 234 HB3 ASN 33 HB3 ASN 33 -14.341 -32.811 -21.161 235 HD21 ASN 33 1HD2 ASN 33 -15.627 -32.066 -23.145 236 HD22 ASN 33 2HD2 ASN 33 -17.211 -32.775 -23.368 237 H GLY 34 H GLY 34 -13.709 -34.599 -20.721 238 HA2 GLY 34 HA2 GLY 34 -13.819 -37.001 -19.224 239 HA3 GLY 34 HA3 GLY 34 -14.913 -37.073 -20.628 240 H PHE 35 H PHE 35 -11.695 -37.631 -19.638 241 HA PHE 35 HA PHE 35 -10.290 -36.732 -21.920 242 HB2 PHE 35 HB2 PHE 35 -9.521 -37.364 -19.416 243 HB3 PHE 35 HB3 PHE 35 -9.105 -38.866 -20.254 244 HD1 PHE 35 HD1 PHE 35 -8.831 -35.144 -20.549 245 HD2 PHE 35 HD2 PHE 35 -7.051 -38.925 -21.445 246 HE1 PHE 35 HE1 PHE 35 -6.858 -33.971 -21.462 247 HE2 PHE 35 HE2 PHE 35 -5.015 -37.749 -22.294 248 HZ PHE 35 HZ PHE 35 -4.942 -35.283 -22.341 249 H TYR 36 H TYR 36 -12.450 -39.473 -21.449 250 HA TYR 36 HA TYR 36 -11.078 -40.947 -23.564 251 HB2 TYR 36 HB2 TYR 36 -13.777 -41.531 -22.294 252 HB3 TYR 36 HB3 TYR 36 -13.061 -42.418 -23.613 253 HD1 TYR 36 HD2 TYR 36 -11.599 -44.236 -23.260 254 HD2 TYR 36 HD1 TYR 36 -13.308 -42.083 -20.061 255 HE1 TYR 36 HE2 TYR 36 -10.731 -45.958 -21.690 256 HE2 TYR 36 HE1 TYR 36 -12.645 -43.852 -18.463 257 HH TYR 36 HH TYR 36 -11.492 -45.827 -18.187 258 H LEU 37 H LEU 37 -13.579 -38.531 -22.795 259 HA LEU 37 HA LEU 37 -15.627 -39.179 -24.578 260 HB2 LEU 37 HB2 LEU 37 -15.886 -37.866 -22.509 261 HB3 LEU 37 HB3 LEU 37 -15.029 -36.536 -23.291 262 HG LEU 37 HG LEU 37 -16.814 -36.486 -25.064 263 HD11 LEU 37 1HD1 LEU 37 -18.339 -38.229 -23.083 264 HD12 LEU 37 2HD1 LEU 37 -18.953 -37.554 -24.608 265 HD13 LEU 37 3HD1 LEU 37 -17.702 -38.817 -24.627 266 HD21 LEU 37 3HD2 LEU 37 -17.667 -36.106 -22.163 267 HD22 LEU 37 1HD2 LEU 37 -16.713 -34.961 -23.131 268 HD23 LEU 37 2HD2 LEU 37 -18.397 -35.315 -23.582 269 H LEU 38 H LEU 38 -13.018 -36.812 -25.459 270 HA LEU 38 HA LEU 38 -14.673 -35.843 -27.536 271 HB2 LEU 38 HB2 LEU 38 -12.623 -34.697 -26.768 272 HB3 LEU 38 HB3 LEU 38 -11.649 -35.969 -27.514 273 HG LEU 38 HG LEU 38 -12.648 -35.404 -29.732 274 HD11 LEU 38 1HD1 LEU 38 -13.922 -33.125 -28.156 275 HD12 LEU 38 2HD1 LEU 38 -13.861 -33.233 -29.931 276 HD13 LEU 38 3HD1 LEU 38 -14.786 -34.430 -29.006 277 HD21 LEU 38 3HD2 LEU 38 -11.390 -33.088 -28.206 278 HD22 LEU 38 1HD2 LEU 38 -10.509 -34.431 -28.971 279 HD23 LEU 38 2HD2 LEU 38 -11.416 -33.276 -29.976 280 H LYS 39 H LYS 39 -12.280 -38.591 -27.570 281 HA LYS 39 HA LYS 39 -13.772 -39.564 -29.881 282 HB2 LYS 39 HB2 LYS 39 -10.776 -39.279 -30.041 283 HB3 LYS 39 HB3 LYS 39 -11.817 -40.207 -31.141 284 HG2 LYS 39 HG2 LYS 39 -13.086 -38.117 -31.657 285 HG3 LYS 39 HG3 LYS 39 -11.937 -37.208 -30.649 286 HD2 LYS 39 HD2 LYS 39 -10.074 -37.940 -32.101 287 HD3 LYS 39 HD3 LYS 39 -11.217 -38.871 -33.100 288 HE2 LYS 39 HE2 LYS 39 -12.445 -36.787 -33.628 289 HE3 LYS 39 HE3 LYS 39 -11.293 -35.859 -32.647 290 HZ1 LYS 39 HZ1 LYS 39 -10.624 -37.440 -35.028 291 HZ2 LYS 39 HZ2 LYS 39 -9.561 -36.564 -34.122 292 HZ3 LYS 39 HZ3 LYS 39 -10.751 -35.796 -34.969 293 H TYR 40 H TYR 40 -14.276 -41.509 -29.928 294 HA TYR 40 HA TYR 40 -12.644 -43.378 -28.319 295 HB2 TYR 40 HB2 TYR 40 -15.046 -43.270 -27.653 296 HB3 TYR 40 HB3 TYR 40 -15.496 -43.824 -29.276 297 HD1 TYR 40 HD1 TYR 40 -13.365 -44.695 -26.323 298 HD2 TYR 40 HD2 TYR 40 -15.613 -46.155 -29.685 299 HE1 TYR 40 HE1 TYR 40 -12.995 -47.029 -25.558 300 HE2 TYR 40 HE2 TYR 40 -15.240 -48.487 -28.929 301 HH TYR 40 HH TYR 40 -13.352 -49.237 -25.960 302 H ASP 41 H ASP 41 -12.939 -42.005 -31.364 303 HA ASP 41 HA ASP 41 -12.506 -42.458 -33.452 304 HB2 ASP 41 HB2 ASP 41 -10.344 -43.168 -32.506 305 HB3 ASP 41 HB3 ASP 41 -10.943 -44.836 -32.450 306 H GLU 42 H GLU 42 -15.046 -43.156 -32.621 307 HA GLU 42 HA GLU 42 -15.533 -45.673 -34.060 308 HB2 GLU 42 HB2 GLU 42 -16.645 -45.531 -31.869 309 HB3 GLU 42 HB3 GLU 42 -17.450 -44.032 -32.366 310 HG2 GLU 42 HG2 GLU 42 -18.605 -45.236 -34.179 311 HG3 GLU 42 HG3 GLU 42 -17.764 -46.735 -33.734 312 H GLU 43 H GLU 43 -16.448 -45.389 -36.162 313 HA GLU 43 HA GLU 43 -16.427 -42.739 -37.256 314 HB2 GLU 43 HB2 GLU 43 -15.748 -44.658 -38.616 315 HB3 GLU 43 HB3 GLU 43 -17.384 -45.339 -38.491 316 HG2 GLU 43 HG2 GLU 43 -18.321 -43.388 -39.637 317 HG3 GLU 43 HG3 GLU 43 -16.732 -42.599 -39.650 318 H TRP 44 H TRP 44 -18.071 -41.341 -37.503 319 HA TRP 44 HA TRP 44 -20.739 -42.232 -36.633 320 HB2 TRP 44 HB2 TRP 44 -19.454 -39.510 -36.322 321 HB3 TRP 44 HB3 TRP 44 -21.176 -39.835 -36.128 322 HD1 TRP 44 HD1 TRP 44 -17.832 -40.456 -34.400 323 HE1 TRP 44 HE1 TRP 44 -18.242 -41.095 -31.965 324 HE3 TRP 44 HE3 TRP 44 -22.925 -40.868 -34.536 325 HZ2 TRP 44 HZ2 TRP 44 -20.511 -41.719 -30.274 326 HZ3 TRP 44 HZ3 TRP 44 -24.182 -41.470 -32.498 327 HH2 TRP 44 HH2 TRP 44 -22.992 -41.903 -30.366 328 H PTR 45 H PTR 45 -22.413 -41.805 -37.772 329 HA PTR 45 HA PTR 45 -23.700 -41.494 -39.553 330 HB2 PTR 45 HB2 PTR 45 -22.546 -38.718 -39.524 331 HB3 PTR 45 HB3 PTR 45 -24.065 -39.251 -40.262 332 HD1 PTR 45 HD1 PTR 45 -22.392 -38.273 -37.177 333 HD2 PTR 45 HD2 PTR 45 -25.926 -40.101 -38.805 334 HE1 PTR 45 HE1 PTR 45 -23.545 -37.957 -35.005 335 HE2 PTR 45 HE2 PTR 45 -27.096 -39.782 -36.641 336 HA PRO 46 HA PRO 46 -20.575 -41.985 -42.844 337 HB2 PRO 46 HB2 PRO 46 -20.545 -44.675 -43.254 338 HB3 PRO 46 HB3 PRO 46 -19.571 -43.903 -41.952 339 HG2 PRO 46 HG2 PRO 46 -22.310 -45.194 -41.709 340 HG3 PRO 46 HG3 PRO 46 -20.859 -45.488 -40.692 341 HD2 PRO 46 HD2 PRO 46 -22.838 -43.736 -39.955 342 HD3 PRO 46 HD3 PRO 46 -21.112 -43.423 -39.583 343 H GLU 47 H GLU 47 -21.993 -40.850 -44.066 344 HA GLU 47 HA GLU 47 -24.595 -41.541 -44.757 345 HB2 GLU 47 HB2 GLU 47 -22.565 -39.825 -46.260 346 HB3 GLU 47 HB3 GLU 47 -24.318 -39.862 -46.555 347 HG2 GLU 47 HG2 GLU 47 -24.716 -39.126 -44.216 348 HG3 GLU 47 HG3 GLU 47 -22.963 -39.046 -43.950 349 H GLU 48 H GLU 48 -21.423 -42.139 -46.364 350 HA GLU 48 HA GLU 48 -22.355 -43.120 -48.787 351 HB2 GLU 48 HB2 GLU 48 -19.871 -43.934 -47.192 352 HB3 GLU 48 HB3 GLU 48 -20.177 -44.328 -48.897 353 HG2 GLU 48 HG2 GLU 48 -20.329 -41.876 -49.390 354 HG3 GLU 48 HG3 GLU 48 -19.856 -41.544 -47.712 355 H LEU 49 H LEU 49 -21.549 -44.815 -45.675 356 HA LEU 49 HA LEU 49 -22.043 -47.423 -46.681 357 HB2 LEU 49 HB2 LEU 49 -21.935 -46.468 -43.826 358 HB3 LEU 49 HB3 LEU 49 -21.886 -48.146 -44.395 359 HG LEU 49 HG LEU 49 -19.826 -45.986 -45.033 360 HD11 LEU 49 1HD1 LEU 49 -19.687 -48.468 -43.271 361 HD12 LEU 49 2HD1 LEU 49 -18.351 -47.337 -43.593 362 HD13 LEU 49 3HD1 LEU 49 -19.781 -46.790 -42.689 363 HD21 LEU 49 3HD2 LEU 49 -19.916 -48.953 -45.741 364 HD22 LEU 49 1HD2 LEU 49 -19.992 -47.590 -46.887 365 HD23 LEU 49 2HD2 LEU 49 -18.508 -47.889 -45.964 366 H LEU 50 H LEU 50 -24.109 -45.057 -44.907 367 HA LEU 50 HA LEU 50 -26.269 -46.792 -44.493 368 HB2 LEU 50 HB2 LEU 50 -26.157 -43.777 -44.810 369 HB3 LEU 50 HB3 LEU 50 -27.618 -44.673 -44.349 370 HG LEU 50 HG LEU 50 -24.998 -44.869 -42.807 371 HD11 LEU 50 1HD1 LEU 50 -27.433 -43.115 -42.282 372 HD12 LEU 50 2HD1 LEU 50 -26.035 -43.308 -41.197 373 HD13 LEU 50 3HD1 LEU 50 -25.824 -42.542 -42.787 374 HD21 LEU 50 3HD2 LEU 50 -27.877 -45.596 -42.124 375 HD22 LEU 50 1HD2 LEU 50 -26.557 -46.744 -42.455 376 HD23 LEU 50 2HD2 LEU 50 -26.493 -45.710 -41.015 377 H TPO 51 H TPO 51 -25.411 -44.640 -47.271 378 HA TPO 51 HA TPO 51 -27.820 -45.144 -48.714 379 HB TPO 51 HB TPO 51 -26.484 -43.099 -48.987 380 HG21 TPO 51 1HG2 TPO 51 -24.448 -45.004 -50.225 381 HG22 TPO 51 2HG2 TPO 51 -24.383 -43.228 -50.316 382 HG23 TPO 51 3HG2 TPO 51 -24.222 -44.038 -48.746 383 H ASP 52 H ASP 52 -28.195 -46.647 -50.359 384 HA ASP 52 HA ASP 52 -26.602 -49.032 -50.302 385 HB2 ASP 52 HB2 ASP 52 -29.052 -49.145 -50.626 386 HB3 ASP 52 HB3 ASP 52 -28.881 -48.291 -52.173 387 H GLY 53 H GLY 53 -25.039 -49.689 -51.696 388 HA2 GLY 53 HA2 GLY 53 -24.656 -48.984 -54.311 389 HA3 GLY 53 HA3 GLY 53 -23.779 -47.764 -53.354 390 H GLU 54 H GLU 54 -21.835 -48.783 -54.428 391 HA GLU 54 HA GLU 54 -21.076 -51.453 -53.796 392 HB2 GLU 54 HB2 GLU 54 -19.176 -49.276 -54.607 393 HB3 GLU 54 HB3 GLU 54 -18.929 -51.024 -54.599 394 HG2 GLU 54 HG2 GLU 54 -19.331 -50.482 -56.849 395 HG3 GLU 54 HG3 GLU 54 -20.847 -51.197 -56.273 396 H ASP 55 H ASP 55 -19.355 -52.189 -52.569 397 HA ASP 55 HA ASP 55 -19.462 -51.343 -49.885 398 HB2 ASP 55 HB2 ASP 55 -17.456 -53.184 -51.236 399 HB3 ASP 55 HB3 ASP 55 -17.767 -53.046 -49.494 400 H ASP 56 H ASP 56 -16.909 -50.895 -52.429 401 HA ASP 56 HA ASP 56 -15.537 -49.168 -50.473 402 HB2 ASP 56 HB2 ASP 56 -14.363 -50.616 -52.875 403 HB3 ASP 56 HB3 ASP 56 -13.495 -49.526 -51.779 404 H VAL 57 H VAL 57 -14.540 -47.315 -51.211 405 HA VAL 57 HA VAL 57 -16.077 -45.674 -52.926 406 HB VAL 57 HB VAL 57 -13.317 -45.302 -51.716 407 HG11 VAL 57 1HG1 VAL 57 -15.264 -43.314 -52.964 408 HG12 VAL 57 2HG1 VAL 57 -13.771 -42.887 -52.095 409 HG13 VAL 57 3HG1 VAL 57 -13.679 -43.787 -53.623 410 HG21 VAL 57 3HG2 VAL 57 -16.094 -44.393 -50.833 411 HG22 VAL 57 1HG2 VAL 57 -15.104 -45.638 -50.037 412 HG23 VAL 57 2HG2 VAL 57 -14.562 -43.947 -50.047 413 H PHE 58 H PHE 58 -12.992 -47.441 -53.291 414 HA PHE 58 HA PHE 58 -12.244 -46.433 -55.814 415 HB2 PHE 58 HB2 PHE 58 -11.480 -49.047 -54.459 416 HB3 PHE 58 HB3 PHE 58 -10.668 -48.310 -55.847 417 HD1 PHE 58 HD2 PHE 58 -9.299 -46.287 -55.585 418 HD2 PHE 58 HD1 PHE 58 -11.206 -48.146 -52.209 419 HE1 PHE 58 HE2 PHE 58 -7.862 -44.972 -54.049 420 HE2 PHE 58 HE1 PHE 58 -9.770 -46.829 -50.674 421 HZ PHE 58 HZ PHE 58 -8.098 -45.242 -51.593 422 H ASP 59 H ASP 59 -14.493 -49.058 -54.878 423 HA ASP 59 HA ASP 59 -14.226 -50.629 -57.174 424 HB2 ASP 59 HB2 ASP 59 -16.613 -50.273 -55.352 425 HB3 ASP 59 HB3 ASP 59 -16.483 -51.474 -56.645 426 HA PRO 60 HA PRO 60 -17.668 -48.539 -59.461 427 HB2 PRO 60 HB2 PRO 60 -18.558 -45.995 -58.974 428 HB3 PRO 60 HB3 PRO 60 -19.255 -47.459 -58.189 429 HG2 PRO 60 HG2 PRO 60 -17.115 -45.598 -57.104 430 HG3 PRO 60 HG3 PRO 60 -18.588 -46.186 -56.265 431 HD2 PRO 60 HD2 PRO 60 -16.167 -47.374 -55.877 432 HD3 PRO 60 HD3 PRO 60 -17.660 -48.354 -55.985 433 H ASP 61 H ASP 61 -17.322 -47.741 -61.408 434 HA ASP 61 HA ASP 61 -16.218 -46.971 -63.166 435 HB2 ASP 61 HB2 ASP 61 -15.627 -44.556 -61.413 436 HB3 ASP 61 HB3 ASP 61 -15.552 -44.629 -63.185 437 H LEU 62 H LEU 62 -14.657 -48.762 -61.376 438 HA LEU 62 HA LEU 62 -12.011 -47.620 -61.348 439 HB2 LEU 62 HB2 LEU 62 -12.666 -49.269 -59.619 440 HB3 LEU 62 HB3 LEU 62 -12.878 -50.492 -60.880 441 HG LEU 62 HG LEU 62 -10.461 -50.211 -61.507 442 HD11 LEU 62 1HD1 LEU 62 -10.426 -48.468 -59.001 443 HD12 LEU 62 2HD1 LEU 62 -8.984 -49.059 -59.860 444 HD13 LEU 62 3HD1 LEU 62 -10.087 -47.926 -60.664 445 HD21 LEU 62 3HD2 LEU 62 -11.017 -50.889 -58.589 446 HD22 LEU 62 1HD2 LEU 62 -11.209 -51.994 -59.971 447 HD23 LEU 62 2HD2 LEU 62 -9.593 -51.402 -59.526 448 H ASP 63 H ASP 63 -10.646 -47.594 -63.035 449 HA ASP 63 HA ASP 63 -11.271 -49.272 -65.361 450 HB2 ASP 63 HB2 ASP 63 -11.189 -46.876 -65.915 451 HB3 ASP 63 HB3 ASP 63 -9.614 -46.715 -65.118 452 H MET 64 H MET 64 -9.959 -51.059 -65.386 453 HA MET 64 HA MET 64 -7.340 -50.856 -64.053 454 HB2 MET 64 HB2 MET 64 -8.907 -52.372 -62.864 455 HB3 MET 64 HB3 MET 64 -9.117 -53.316 -64.356 456 HG2 MET 64 HG2 MET 64 -6.706 -53.810 -64.395 457 HG3 MET 64 HG3 MET 64 -6.463 -52.822 -62.950 458 HE1 MET 64 HE1 MET 64 -9.053 -53.623 -61.178 459 HE2 MET 64 HE2 MET 64 -8.283 -54.861 -60.163 460 HE3 MET 64 HE3 MET 64 -7.393 -53.379 -60.583 461 H GLU 65 H GLU 65 -5.652 -51.156 -65.423 462 HA GLU 65 HA GLU 65 -6.280 -52.089 -68.129 463 HB2 GLU 65 HB2 GLU 65 -5.176 -49.862 -67.973 464 HB3 GLU 65 HB3 GLU 65 -3.850 -50.582 -67.033 465 HG2 GLU 65 HG2 GLU 65 -3.320 -52.082 -68.937 466 HG3 GLU 65 HG3 GLU 65 -4.647 -51.366 -69.870 467 H VAL 66 H VAL 66 -5.567 -54.162 -68.575 468 HA VAL 66 HA VAL 66 -3.554 -55.290 -66.720 469 HB VAL 66 HB VAL 66 -5.598 -56.778 -68.369 470 HG11 VAL 66 1HG1 VAL 66 -3.391 -57.723 -66.487 471 HG12 VAL 66 2HG1 VAL 66 -4.627 -58.761 -67.235 472 HG13 VAL 66 3HG1 VAL 66 -3.423 -57.942 -68.253 473 HG21 VAL 66 3HG2 VAL 66 -5.233 -56.410 -65.362 474 HG22 VAL 66 1HG2 VAL 66 -6.536 -55.704 -66.348 475 HG23 VAL 66 2HG2 VAL 66 -6.436 -57.466 -66.140 476 H VAL 67 H VAL 67 -1.653 -55.105 -67.751 477 HA VAL 67 HA VAL 67 -1.305 -54.527 -70.508 478 HB VAL 67 HB VAL 67 0.997 -54.467 -70.110 479 HG11 VAL 67 1HG1 VAL 67 -0.632 -53.121 -67.912 480 HG12 VAL 67 2HG1 VAL 67 0.969 -52.610 -68.493 481 HG13 VAL 67 3HG1 VAL 67 -0.438 -52.522 -69.576 482 HG21 VAL 67 3HG2 VAL 67 0.305 -55.371 -67.282 483 HG22 VAL 67 1HG2 VAL 67 1.203 -56.320 -68.489 484 HG23 VAL 67 2HG2 VAL 67 1.903 -54.823 -67.838 485 H PHE 68 H PHE 68 -1.075 -57.637 -68.798 486 HA PHE 68 HA PHE 68 -0.629 -59.692 -69.544 487 HB2 PHE 68 HB2 PHE 68 -1.447 -58.769 -72.293 488 HB3 PHE 68 HB3 PHE 68 -1.226 -60.434 -71.741 489 HD1 PHE 68 HD2 PHE 68 -2.741 -61.345 -69.927 490 HD2 PHE 68 HD1 PHE 68 -3.494 -57.617 -71.928 491 HE1 PHE 68 HE2 PHE 68 -5.106 -61.423 -69.182 492 HE2 PHE 68 HE1 PHE 68 -5.858 -57.695 -71.183 493 HZ PHE 68 HZ PHE 68 -6.664 -59.598 -69.810 494 H GLU 69 H GLU 69 1.489 -58.022 -69.163 495 HA GLU 69 HA GLU 69 3.665 -57.699 -69.468 496 HB2 GLU 69 HB2 GLU 69 3.566 -60.407 -70.815 497 HB3 GLU 69 HB3 GLU 69 5.005 -59.585 -70.171 498 HG2 GLU 69 HG2 GLU 69 3.989 -59.585 -67.910 499 HG3 GLU 69 HG3 GLU 69 2.568 -60.434 -68.552 500 H THR 70 H THR 70 2.080 -56.323 -71.401 501 HA THR 70 HA THR 70 3.970 -56.381 -73.656 502 HB THR 70 HB THR 70 1.054 -55.592 -73.671 503 HG1 THR 70 HG1 THR 70 1.460 -57.846 -73.614 504 HG21 THR 70 1HG2 THR 70 3.170 -55.709 -75.865 505 HG22 THR 70 2HG2 THR 70 1.440 -55.371 -76.114 506 HG23 THR 70 3HG2 THR 70 2.444 -54.230 -75.193 507 H GLN 71 H GLN 71 5.085 -54.472 -73.864 508 HA GLN 71 HA GLN 71 4.490 -52.336 -71.969 509 HB2 GLN 71 HB2 GLN 71 6.856 -52.812 -73.835 510 HB3 GLN 71 HB3 GLN 71 6.655 -51.400 -72.783 511 HG2 GLN 71 HG2 GLN 71 8.109 -52.986 -71.678 512 HG3 GLN 71 HG3 GLN 71 6.574 -52.902 -70.799 513 HE21 GLN 71 2HE2 GLN 71 6.023 -54.879 -70.046 514 HE22 GLN 71 1HE2 GLN 71 6.192 -56.385 -70.921 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -24.735 -47.149 -23.495 2 H2 GLY 1 H2 GLY 1 -26.240 -47.775 -23.959 3 H3 GLY 1 H3 GLY 1 -25.604 -46.433 -24.766 4 HA2 GLY 1 HA3 GLY 1 -26.679 -46.561 -22.018 5 HA3 GLY 1 HA2 GLY 1 -25.670 -45.211 -22.588 6 H SER 2 H SER 2 -28.772 -46.442 -22.313 7 HA SER 2 HA SER 2 -30.057 -45.569 -24.675 8 HB2 SER 2 HB2 SER 2 -32.113 -45.786 -23.334 9 HB3 SER 2 HB3 SER 2 -31.071 -47.220 -23.162 10 HG SER 2 HG SER 2 -31.875 -46.460 -21.158 11 H THR 3 H THR 3 -29.391 -44.075 -21.474 12 HA THR 3 HA THR 3 -30.642 -41.578 -22.234 13 HB THR 3 HB THR 3 -30.859 -42.457 -19.941 14 HG1 THR 3 HG1 THR 3 -30.976 -40.225 -20.440 15 HG21 THR 3 1HG2 THR 3 -27.884 -41.823 -19.816 16 HG22 THR 3 2HG2 THR 3 -28.918 -42.254 -18.433 17 HG23 THR 3 3HG2 THR 3 -28.608 -43.446 -19.717 18 H ALA 4 H ALA 4 -29.254 -39.503 -21.868 19 HA ALA 4 HA ALA 4 -26.946 -39.822 -23.594 20 HB1 ALA 4 HB1 ALA 4 -28.054 -37.313 -22.288 21 HB2 ALA 4 HB2 ALA 4 -26.739 -37.391 -23.485 22 HB3 ALA 4 HB3 ALA 4 -28.392 -37.863 -23.947 23 H MET 5 H MET 5 -25.067 -40.428 -22.733 24 HA MET 5 HA MET 5 -24.529 -39.805 -19.921 25 HB2 MET 5 HB2 MET 5 -23.126 -41.718 -21.863 26 HB3 MET 5 HB3 MET 5 -22.665 -41.447 -20.166 27 HG2 MET 5 HG2 MET 5 -25.334 -42.548 -21.138 28 HG3 MET 5 HG3 MET 5 -24.023 -43.491 -20.390 29 HE1 MET 5 HE1 MET 5 -23.051 -41.460 -18.126 30 HE2 MET 5 HE2 MET 5 -23.982 -42.084 -16.744 31 HE3 MET 5 HE3 MET 5 -23.234 -43.215 -17.894 32 H ALA 6 H ALA 6 -23.538 -37.768 -19.968 33 HA ALA 6 HA ALA 6 -22.382 -35.963 -20.604 34 HB1 ALA 6 HB1 ALA 6 -20.289 -37.971 -21.396 35 HB2 ALA 6 HB2 ALA 6 -20.062 -36.218 -21.192 36 HB3 ALA 6 HB3 ALA 6 -20.512 -37.226 -19.796 37 H THR 7 H THR 7 -24.348 -36.449 -22.331 38 HA THR 7 HA THR 7 -25.223 -35.768 -24.239 39 HB THR 7 HB THR 7 -24.293 -34.301 -25.742 40 HG1 THR 7 HG1 THR 7 -22.172 -35.145 -25.785 41 HG21 THR 7 1HG2 THR 7 -23.515 -33.642 -22.872 42 HG22 THR 7 2HG2 THR 7 -23.774 -32.462 -24.179 43 HG23 THR 7 3HG2 THR 7 -25.133 -33.444 -23.586 44 H THR 8 H THR 8 -21.994 -37.237 -25.106 45 HA THR 8 HA THR 8 -23.598 -38.601 -27.189 46 HB THR 8 HB THR 8 -20.666 -37.893 -27.294 47 HG1 THR 8 HG1 THR 8 -21.444 -36.427 -28.887 48 HG21 THR 8 1HG2 THR 8 -22.595 -39.044 -29.354 49 HG22 THR 8 2HG2 THR 8 -20.894 -38.610 -29.646 50 HG23 THR 8 3HG2 THR 8 -21.294 -39.941 -28.535 51 H MET 9 H MET 9 -23.406 -40.761 -27.410 52 HA MET 9 HA MET 9 -21.992 -42.222 -25.296 53 HB2 MET 9 HB2 MET 9 -24.522 -42.420 -25.481 54 HB3 MET 9 HB3 MET 9 -24.264 -43.219 -27.050 55 HG2 MET 9 HG2 MET 9 -24.561 -44.864 -25.261 56 HG3 MET 9 HG3 MET 9 -22.917 -44.958 -25.938 57 HE1 MET 9 HE1 MET 9 -21.628 -46.140 -24.233 58 HE2 MET 9 HE2 MET 9 -21.892 -45.986 -22.480 59 HE3 MET 9 HE3 MET 9 -23.208 -46.561 -23.532 60 H GLU 10 H GLU 10 -21.104 -44.187 -25.689 61 HA GLU 10 HA GLU 10 -19.772 -45.720 -26.520 62 HB2 GLU 10 HB2 GLU 10 -20.573 -44.870 -29.289 63 HB3 GLU 10 HB3 GLU 10 -19.675 -46.334 -28.819 64 HG2 GLU 10 HG2 GLU 10 -21.611 -47.048 -27.429 65 HG3 GLU 10 HG3 GLU 10 -22.509 -45.610 -27.969 66 H GLN 11 H GLN 11 -19.078 -42.448 -26.899 67 HA GLN 11 HA GLN 11 -16.405 -43.144 -27.874 68 HB2 GLN 11 HB2 GLN 11 -16.089 -40.789 -28.269 69 HB3 GLN 11 HB3 GLN 11 -17.429 -41.498 -29.201 70 HG2 GLN 11 HG2 GLN 11 -19.025 -40.522 -27.587 71 HG3 GLN 11 HG3 GLN 11 -17.661 -39.755 -26.740 72 HE21 GLN 11 1HE2 GLN 11 -17.056 -37.739 -27.416 73 HE22 GLN 11 2HE2 GLN 11 -17.458 -37.038 -28.967 74 H GLU 12 H GLU 12 -17.841 -43.360 -25.009 75 HA GLU 12 HA GLU 12 -17.200 -43.586 -22.915 76 HB2 GLU 12 HB2 GLU 12 -14.428 -43.756 -23.944 77 HB3 GLU 12 HB3 GLU 12 -14.982 -44.093 -22.287 78 HG2 GLU 12 HG2 GLU 12 -16.589 -45.776 -23.235 79 HG3 GLU 12 HG3 GLU 12 -15.854 -45.508 -24.834 80 H ILE 13 H ILE 13 -15.937 -42.721 -20.902 81 HA ILE 13 HA ILE 13 -15.712 -39.804 -21.285 82 HB ILE 13 HB ILE 13 -17.340 -41.188 -19.075 83 HG12 ILE 13 2HG1 ILE 13 -18.378 -39.449 -21.352 84 HG13 ILE 13 3HG1 ILE 13 -18.444 -41.228 -21.351 85 HG21 ILE 13 1HG2 ILE 13 -16.930 -38.244 -19.775 86 HG22 ILE 13 2HG2 ILE 13 -17.970 -38.865 -18.471 87 HG23 ILE 13 3HG2 ILE 13 -16.207 -39.092 -18.387 88 HD11 ILE 13 3HD1 ILE 13 -19.813 -41.177 -19.301 89 HD12 ILE 13 1HD1 ILE 13 -19.747 -39.398 -19.301 90 HD13 ILE 13 2HD1 ILE 13 -20.580 -40.258 -20.619 91 H CYS 14 H CYS 14 -13.798 -39.134 -20.118 92 HA CYS 14 HA CYS 14 -13.095 -40.638 -17.675 93 HB2 CYS 14 HB2 CYS 14 -11.458 -41.368 -19.250 94 HB3 CYS 14 HB3 CYS 14 -11.061 -39.683 -19.667 95 HG CYS 14 HG CYS 14 -9.213 -40.670 -18.094 96 H ALA 15 H ALA 15 -10.844 -38.076 -18.268 97 HA ALA 15 HA ALA 15 -12.259 -36.344 -16.423 98 HB1 ALA 15 HB1 ALA 15 -9.381 -36.358 -17.358 99 HB2 ALA 15 HB2 ALA 15 -10.094 -35.254 -16.159 100 HB3 ALA 15 HB3 ALA 15 -9.995 -36.997 -15.815 101 H HIS 16 H HIS 16 -10.067 -35.366 -19.317 102 HA HIS 16 HA HIS 16 -12.363 -33.695 -20.091 103 HB2 HIS 16 HB2 HIS 16 -11.233 -31.612 -20.154 104 HB3 HIS 16 HB3 HIS 16 -11.434 -32.234 -18.499 105 HD1 HIS 16 HD1 HIS 16 -9.302 -32.824 -17.229 106 HD2 HIS 16 HD2 HIS 16 -8.678 -31.153 -21.035 107 HE1 HIS 16 HE1 HIS 16 -6.869 -31.967 -17.295 108 H SER 17 H SER 17 -12.890 -34.444 -21.905 109 HA SER 17 HA SER 17 -12.890 -34.772 -24.091 110 HB2 SER 17 HB2 SER 17 -11.712 -32.001 -23.902 111 HB3 SER 17 HB3 SER 17 -12.523 -32.707 -25.320 112 HG SER 17 HG SER 17 -13.938 -31.476 -24.001 113 H MET 18 H MET 18 -11.052 -36.620 -23.741 114 HA MET 18 HA MET 18 -9.462 -36.050 -26.147 115 HB2 MET 18 HB2 MET 18 -8.036 -36.499 -23.658 116 HB3 MET 18 HB3 MET 18 -7.476 -37.273 -25.160 117 HG2 MET 18 HG2 MET 18 -6.344 -35.220 -25.064 118 HG3 MET 18 HG3 MET 18 -7.664 -34.952 -26.227 119 HE1 MET 18 HE1 MET 18 -7.233 -32.457 -26.240 120 HE2 MET 18 HE2 MET 18 -7.113 -31.454 -24.775 121 HE3 MET 18 HE3 MET 18 -5.883 -32.697 -25.106 122 H THR 19 H THR 19 -8.348 -38.951 -24.682 123 HA THR 19 HA THR 19 -9.915 -40.443 -26.619 124 HB THR 19 HB THR 19 -6.871 -40.511 -26.673 125 HG1 THR 19 HG1 THR 19 -7.733 -38.517 -27.454 126 HG21 THR 19 1HG2 THR 19 -8.929 -41.625 -28.600 127 HG22 THR 19 2HG2 THR 19 -7.160 -41.706 -28.780 128 HG23 THR 19 3HG2 THR 19 -7.959 -42.570 -27.446 129 H PHE 20 H PHE 20 -9.539 -42.812 -26.324 130 HA PHE 20 HA PHE 20 -9.619 -43.666 -23.700 131 HB2 PHE 20 HB2 PHE 20 -10.506 -44.935 -25.669 132 HB3 PHE 20 HB3 PHE 20 -8.849 -45.160 -26.278 133 HD1 PHE 20 HD2 PHE 20 -7.336 -46.753 -25.251 134 HD2 PHE 20 HD1 PHE 20 -11.346 -46.220 -23.802 135 HE1 PHE 20 HE2 PHE 20 -7.170 -48.887 -23.997 136 HE2 PHE 20 HE1 PHE 20 -11.183 -48.352 -22.556 137 HZ PHE 20 HZ PHE 20 -9.098 -49.692 -22.656 138 H GLU 21 H GLU 21 -6.890 -43.737 -26.096 139 HA GLU 21 HA GLU 21 -5.001 -44.962 -24.429 140 HB2 GLU 21 HB2 GLU 21 -4.560 -43.063 -26.759 141 HB3 GLU 21 HB3 GLU 21 -3.351 -44.146 -26.029 142 HG2 GLU 21 HG2 GLU 21 -4.730 -46.102 -26.650 143 HG3 GLU 21 HG3 GLU 21 -5.939 -45.020 -27.379 144 H GLU 22 H GLU 22 -5.942 -41.587 -25.023 145 HA GLU 22 HA GLU 22 -3.846 -40.384 -23.528 146 HB2 GLU 22 HB2 GLU 22 -6.510 -39.320 -24.533 147 HB3 GLU 22 HB3 GLU 22 -5.210 -38.342 -23.811 148 HG2 GLU 22 HG2 GLU 22 -4.869 -40.057 -26.294 149 HG3 GLU 22 HG3 GLU 22 -5.248 -38.319 -26.320 150 H CYS 23 H CYS 23 -6.849 -41.920 -22.499 151 HA CYS 23 HA CYS 23 -7.612 -40.336 -20.413 152 HB2 CYS 23 HB2 CYS 23 -8.944 -42.211 -21.033 153 HB3 CYS 23 HB3 CYS 23 -7.625 -43.349 -20.670 154 HG CYS 23 HG CYS 23 -9.515 -43.598 -18.944 155 HA PRO 24 HA PRO 24 -4.781 -42.349 -17.207 156 HB2 PRO 24 HB2 PRO 24 -2.266 -43.142 -17.900 157 HB3 PRO 24 HB3 PRO 24 -3.643 -44.254 -17.714 158 HG2 PRO 24 HG2 PRO 24 -2.521 -43.002 -20.264 159 HG3 PRO 24 HG3 PRO 24 -3.057 -44.679 -20.005 160 HD2 PRO 24 HD2 PRO 24 -4.688 -42.871 -21.226 161 HD3 PRO 24 HD3 PRO 24 -5.345 -44.115 -20.136 162 H LYS 25 H LYS 25 -3.495 -40.437 -19.963 163 HA LYS 25 HA LYS 25 -1.588 -38.978 -18.491 164 HB2 LYS 25 HB2 LYS 25 -3.199 -38.017 -20.866 165 HB3 LYS 25 HB3 LYS 25 -1.752 -37.248 -20.173 166 HG2 LYS 25 HG2 LYS 25 -0.471 -39.358 -20.618 167 HG3 LYS 25 HG3 LYS 25 -1.914 -40.026 -21.417 168 HD2 LYS 25 HD2 LYS 25 -1.889 -38.141 -23.029 169 HD3 LYS 25 HD3 LYS 25 -0.436 -37.487 -22.235 170 HE2 LYS 25 HE2 LYS 25 0.197 -38.765 -24.232 171 HE3 LYS 25 HE3 LYS 25 0.775 -39.597 -22.768 172 HZ1 LYS 25 HZ1 LYS 25 -1.112 -41.032 -22.915 173 HZ2 LYS 25 HZ2 LYS 25 -1.652 -40.262 -24.270 174 HZ3 LYS 25 HZ3 LYS 25 -0.229 -41.094 -24.307 175 H CYS 26 H CYS 26 -5.151 -38.474 -19.210 176 HA CYS 26 HA CYS 26 -4.935 -36.572 -16.952 177 HB2 CYS 26 HB2 CYS 26 -5.192 -35.106 -18.650 178 HB3 CYS 26 HB3 CYS 26 -6.602 -35.983 -19.290 179 HG CYS 26 HG CYS 26 -7.379 -33.830 -18.052 180 H SER 27 H SER 27 -5.240 -37.385 -15.462 181 HA SER 27 HA SER 27 -7.889 -38.314 -14.702 182 HB2 SER 27 HB2 SER 27 -5.146 -39.246 -13.681 183 HB3 SER 27 HB3 SER 27 -6.714 -39.705 -12.977 184 HG SER 27 HG SER 27 -5.856 -40.214 -15.639 185 H ALA 28 H ALA 28 -6.468 -35.710 -15.213 186 HA ALA 28 HA ALA 28 -5.130 -34.630 -12.986 187 HB1 ALA 28 HB1 ALA 28 -6.246 -33.323 -15.481 188 HB2 ALA 28 HB2 ALA 28 -5.189 -32.558 -14.271 189 HB3 ALA 28 HB3 ALA 28 -4.582 -33.913 -15.249 190 H LEU 29 H LEU 29 -5.673 -32.525 -12.199 191 HA LEU 29 HA LEU 29 -7.773 -32.655 -10.453 192 HB2 LEU 29 HB2 LEU 29 -6.294 -30.184 -11.462 193 HB3 LEU 29 HB3 LEU 29 -7.228 -30.314 -9.952 194 HG LEU 29 HG LEU 29 -4.737 -31.929 -10.626 195 HD11 LEU 29 1HD1 LEU 29 -5.203 -29.591 -8.720 196 HD12 LEU 29 2HD1 LEU 29 -3.685 -30.504 -8.887 197 HD13 LEU 29 3HD1 LEU 29 -4.286 -29.521 -10.243 198 HD21 LEU 29 3HD2 LEU 29 -6.353 -31.705 -8.056 199 HD22 LEU 29 1HD2 LEU 29 -6.296 -33.124 -9.129 200 HD23 LEU 29 2HD2 LEU 29 -4.832 -32.606 -8.258 201 H GLN 30 H GLN 30 -7.717 -31.027 -13.718 202 HA GLN 30 HA GLN 30 -10.030 -29.501 -13.166 203 HB2 GLN 30 HB2 GLN 30 -9.084 -30.463 -15.863 204 HB3 GLN 30 HB3 GLN 30 -10.171 -29.102 -15.492 205 HG2 GLN 30 HG2 GLN 30 -8.364 -27.980 -14.246 206 HG3 GLN 30 HG3 GLN 30 -7.260 -29.312 -14.642 207 HE21 GLN 30 1HE2 GLN 30 -7.694 -26.247 -15.415 208 HE22 GLN 30 2HE2 GLN 30 -7.364 -26.257 -17.133 209 H TYR 31 H TYR 31 -9.946 -32.767 -14.774 210 HA TYR 31 HA TYR 31 -11.643 -34.131 -15.382 211 HB2 TYR 31 HB2 TYR 31 -12.909 -33.307 -12.774 212 HB3 TYR 31 HB3 TYR 31 -13.353 -34.691 -13.779 213 HD1 TYR 31 HD2 TYR 31 -11.592 -36.490 -14.220 214 HD2 TYR 31 HD1 TYR 31 -11.235 -33.524 -11.128 215 HE1 TYR 31 HE2 TYR 31 -9.968 -37.938 -13.030 216 HE2 TYR 31 HE1 TYR 31 -9.620 -34.966 -9.921 217 HH TYR 31 HH TYR 31 -8.638 -38.183 -11.177 218 H ARG 32 H ARG 32 -11.896 -31.585 -16.699 219 HA ARG 32 HA ARG 32 -14.426 -30.428 -16.411 220 HB2 ARG 32 HB2 ARG 32 -12.692 -30.475 -18.890 221 HB3 ARG 32 HB3 ARG 32 -14.016 -29.357 -18.520 222 HG2 ARG 32 HG2 ARG 32 -12.780 -28.595 -16.494 223 HG3 ARG 32 HG3 ARG 32 -11.433 -29.665 -16.953 224 HD2 ARG 32 HD2 ARG 32 -11.128 -28.455 -19.049 225 HD3 ARG 32 HD3 ARG 32 -12.545 -27.444 -18.708 226 HE ARG 32 HE ARG 32 -9.866 -27.164 -17.586 227 HH11 ARG 32 1HH1 ARG 32 -13.315 -26.464 -17.165 228 HH12 ARG 32 2HH1 ARG 32 -13.039 -25.064 -16.153 229 HH21 ARG 32 1HH2 ARG 32 -9.517 -25.318 -16.257 230 HH22 ARG 32 2HH2 ARG 32 -10.879 -24.412 -15.637 231 H ASN 33 H ASN 33 -13.687 -33.061 -18.844 232 HA ASN 33 HA ASN 33 -16.616 -33.152 -19.075 233 HB2 ASN 33 HB2 ASN 33 -15.746 -31.664 -20.887 234 HB3 ASN 33 HB3 ASN 33 -14.719 -32.990 -21.454 235 HD21 ASN 33 1HD2 ASN 33 -16.032 -32.400 -23.465 236 HD22 ASN 33 2HD2 ASN 33 -17.534 -33.267 -23.707 237 H GLY 34 H GLY 34 -13.817 -34.718 -20.794 238 HA2 GLY 34 HA2 GLY 34 -13.976 -37.150 -19.425 239 HA3 GLY 34 HA3 GLY 34 -15.006 -37.232 -20.873 240 H PHE 35 H PHE 35 -11.810 -37.601 -19.718 241 HA PHE 35 HA PHE 35 -10.350 -36.669 -21.967 242 HB2 PHE 35 HB2 PHE 35 -9.655 -37.180 -19.413 243 HB3 PHE 35 HB3 PHE 35 -9.119 -38.681 -20.182 244 HD1 PHE 35 HD1 PHE 35 -9.053 -34.962 -20.602 245 HD2 PHE 35 HD2 PHE 35 -7.002 -38.652 -21.275 246 HE1 PHE 35 HE1 PHE 35 -7.123 -33.699 -21.484 247 HE2 PHE 35 HE2 PHE 35 -5.013 -37.381 -22.091 248 HZ PHE 35 HZ PHE 35 -5.092 -34.918 -22.235 249 H TYR 36 H TYR 36 -12.370 -39.480 -21.531 250 HA TYR 36 HA TYR 36 -10.816 -40.973 -23.514 251 HB2 TYR 36 HB2 TYR 36 -13.502 -41.676 -22.270 252 HB3 TYR 36 HB3 TYR 36 -12.723 -42.563 -23.554 253 HD1 TYR 36 HD2 TYR 36 -11.138 -44.255 -23.144 254 HD2 TYR 36 HD1 TYR 36 -13.041 -42.163 -20.014 255 HE1 TYR 36 HE2 TYR 36 -10.125 -45.845 -21.517 256 HE2 TYR 36 HE1 TYR 36 -12.199 -43.795 -18.354 257 HH TYR 36 HH TYR 36 -10.845 -45.629 -18.010 258 H LEU 37 H LEU 37 -13.525 -38.717 -22.912 259 HA LEU 37 HA LEU 37 -15.430 -39.559 -24.741 260 HB2 LEU 37 HB2 LEU 37 -15.862 -38.096 -22.800 261 HB3 LEU 37 HB3 LEU 37 -15.044 -36.789 -23.659 262 HG LEU 37 HG LEU 37 -16.746 -37.038 -25.521 263 HD11 LEU 37 1HD1 LEU 37 -18.275 -38.606 -23.399 264 HD12 LEU 37 2HD1 LEU 37 -18.853 -38.149 -25.017 265 HD13 LEU 37 3HD1 LEU 37 -17.549 -39.343 -24.836 266 HD21 LEU 37 3HD2 LEU 37 -17.716 -36.343 -22.719 267 HD22 LEU 37 1HD2 LEU 37 -16.808 -35.277 -23.818 268 HD23 LEU 37 2HD2 LEU 37 -18.456 -35.794 -24.244 269 H LEU 38 H LEU 38 -12.954 -37.009 -25.698 270 HA LEU 38 HA LEU 38 -14.647 -36.636 -27.979 271 HB2 LEU 38 HB2 LEU 38 -11.804 -35.843 -27.805 272 HB3 LEU 38 HB3 LEU 38 -12.920 -35.553 -29.152 273 HG LEU 38 HG LEU 38 -13.256 -34.546 -26.298 274 HD11 LEU 38 1HD1 LEU 38 -12.711 -33.144 -28.953 275 HD12 LEU 38 2HD1 LEU 38 -12.937 -32.337 -27.385 276 HD13 LEU 38 3HD1 LEU 38 -11.526 -33.389 -27.651 277 HD21 LEU 38 3HD2 LEU 38 -15.013 -34.203 -28.769 278 HD22 LEU 38 1HD2 LEU 38 -15.472 -34.983 -27.232 279 HD23 LEU 38 2HD2 LEU 38 -15.165 -33.240 -27.281 280 H LYS 39 H LYS 39 -11.924 -38.956 -27.587 281 HA LYS 39 HA LYS 39 -12.968 -40.040 -30.107 282 HB2 LYS 39 HB2 LYS 39 -10.008 -39.710 -29.549 283 HB3 LYS 39 HB3 LYS 39 -10.739 -40.604 -30.901 284 HG2 LYS 39 HG2 LYS 39 -11.835 -38.516 -31.678 285 HG3 LYS 39 HG3 LYS 39 -11.068 -37.625 -30.344 286 HD2 LYS 39 HD2 LYS 39 -8.832 -38.260 -31.209 287 HD3 LYS 39 HD3 LYS 39 -9.604 -39.139 -32.552 288 HE2 LYS 39 HE2 LYS 39 -10.674 -37.040 -33.308 289 HE3 LYS 39 HE3 LYS 39 -9.909 -36.164 -31.966 290 HZ1 LYS 39 HZ1 LYS 39 -8.682 -35.924 -33.989 291 HZ2 LYS 39 HZ2 LYS 39 -8.497 -37.556 -34.129 292 HZ3 LYS 39 HZ3 LYS 39 -7.784 -36.750 -32.881 293 H TYR 40 H TYR 40 -13.489 -41.991 -30.082 294 HA TYR 40 HA TYR 40 -12.020 -43.823 -28.304 295 HB2 TYR 40 HB2 TYR 40 -14.381 -43.528 -27.585 296 HB3 TYR 40 HB3 TYR 40 -14.913 -44.118 -29.169 297 HD1 TYR 40 HD1 TYR 40 -12.535 -45.093 -26.418 298 HD2 TYR 40 HD2 TYR 40 -15.496 -46.376 -29.252 299 HE1 TYR 40 HE1 TYR 40 -12.338 -47.414 -25.566 300 HE2 TYR 40 HE2 TYR 40 -15.305 -48.699 -28.419 301 HH TYR 40 HH TYR 40 -13.059 -49.583 -25.759 302 H ASP 41 H ASP 41 -12.257 -42.541 -31.344 303 HA ASP 41 HA ASP 41 -11.828 -43.026 -33.415 304 HB2 ASP 41 HB2 ASP 41 -10.481 -45.526 -32.408 305 HB3 ASP 41 HB3 ASP 41 -10.257 -44.725 -33.977 306 H GLU 42 H GLU 42 -14.500 -43.681 -32.655 307 HA GLU 42 HA GLU 42 -14.966 -46.109 -34.252 308 HB2 GLU 42 HB2 GLU 42 -17.006 -44.491 -32.746 309 HB3 GLU 42 HB3 GLU 42 -17.320 -45.897 -33.781 310 HG2 GLU 42 HG2 GLU 42 -15.826 -47.264 -32.318 311 HG3 GLU 42 HG3 GLU 42 -15.656 -45.862 -31.244 312 H GLU 43 H GLU 43 -16.711 -45.925 -35.997 313 HA GLU 43 HA GLU 43 -16.089 -43.583 -37.607 314 HB2 GLU 43 HB2 GLU 43 -16.086 -45.781 -38.693 315 HB3 GLU 43 HB3 GLU 43 -17.790 -46.015 -38.250 316 HG2 GLU 43 HG2 GLU 43 -18.435 -44.059 -39.590 317 HG3 GLU 43 HG3 GLU 43 -16.731 -43.718 -39.950 318 H TRP 44 H TRP 44 -17.361 -41.798 -37.689 319 HA TRP 44 HA TRP 44 -20.105 -42.075 -36.635 320 HB2 TRP 44 HB2 TRP 44 -18.235 -39.709 -36.240 321 HB3 TRP 44 HB3 TRP 44 -19.956 -39.748 -35.827 322 HD1 TRP 44 HD1 TRP 44 -16.569 -40.854 -34.573 323 HE1 TRP 44 HE1 TRP 44 -16.775 -41.939 -32.272 324 HE3 TRP 44 HE3 TRP 44 -21.660 -41.180 -34.306 325 HZ2 TRP 44 HZ2 TRP 44 -18.899 -42.895 -30.543 326 HZ3 TRP 44 HZ3 TRP 44 -22.743 -42.215 -32.342 327 HH2 TRP 44 HH2 TRP 44 -21.385 -43.093 -30.478 328 H PTR 45 H PTR 45 -21.681 -41.067 -37.678 329 HA PTR 45 HA PTR 45 -22.852 -40.295 -39.402 330 HB2 PTR 45 HB2 PTR 45 -20.929 -37.981 -39.250 331 HB3 PTR 45 HB3 PTR 45 -22.537 -37.995 -39.992 332 HD1 PTR 45 HD1 PTR 45 -20.648 -37.816 -36.867 333 HD2 PTR 45 HD2 PTR 45 -24.570 -38.232 -38.576 334 HE1 PTR 45 HE1 PTR 45 -21.654 -37.259 -34.671 335 HE2 PTR 45 HE2 PTR 45 -25.591 -37.672 -36.386 336 HA PRO 46 HA PRO 46 -19.964 -41.525 -42.753 337 HB2 PRO 46 HB2 PRO 46 -20.779 -44.051 -43.332 338 HB3 PRO 46 HB3 PRO 46 -19.660 -43.711 -41.968 339 HG2 PRO 46 HG2 PRO 46 -22.676 -44.054 -41.856 340 HG3 PRO 46 HG3 PRO 46 -21.436 -44.871 -40.843 341 HD2 PRO 46 HD2 PRO 46 -22.754 -42.622 -39.999 342 HD3 PRO 46 HD3 PRO 46 -21.029 -42.906 -39.602 343 H GLU 47 H GLU 47 -20.959 -39.852 -43.793 344 HA GLU 47 HA GLU 47 -23.583 -39.792 -44.729 345 HB2 GLU 47 HB2 GLU 47 -21.115 -38.315 -45.682 346 HB3 GLU 47 HB3 GLU 47 -22.799 -37.922 -46.092 347 HG2 GLU 47 HG2 GLU 47 -23.297 -37.637 -43.665 348 HG3 GLU 47 HG3 GLU 47 -21.587 -37.933 -43.299 349 H GLU 48 H GLU 48 -20.566 -41.033 -46.286 350 HA GLU 48 HA GLU 48 -21.680 -41.439 -48.826 351 HB2 GLU 48 HB2 GLU 48 -19.463 -42.983 -47.433 352 HB3 GLU 48 HB3 GLU 48 -19.866 -43.052 -49.163 353 HG2 GLU 48 HG2 GLU 48 -19.461 -40.585 -49.314 354 HG3 GLU 48 HG3 GLU 48 -18.923 -40.600 -47.623 355 H LEU 49 H LEU 49 -21.474 -43.600 -45.908 356 HA LEU 49 HA LEU 49 -22.678 -45.839 -47.131 357 HB2 LEU 49 HB2 LEU 49 -22.633 -45.160 -44.196 358 HB3 LEU 49 HB3 LEU 49 -23.066 -46.716 -44.927 359 HG LEU 49 HG LEU 49 -20.349 -45.344 -45.133 360 HD11 LEU 49 1HD1 LEU 49 -21.257 -47.848 -43.649 361 HD12 LEU 49 2HD1 LEU 49 -19.596 -47.214 -43.711 362 HD13 LEU 49 3HD1 LEU 49 -20.872 -46.285 -42.894 363 HD21 LEU 49 3HD2 LEU 49 -21.324 -48.044 -46.163 364 HD22 LEU 49 1HD2 LEU 49 -20.795 -46.663 -47.155 365 HD23 LEU 49 2HD2 LEU 49 -19.626 -47.516 -46.131 366 H LEU 50 H LEU 50 -24.084 -43.080 -45.319 367 HA LEU 50 HA LEU 50 -26.691 -44.097 -45.126 368 HB2 LEU 50 HB2 LEU 50 -25.652 -41.253 -45.192 369 HB3 LEU 50 HB3 LEU 50 -27.344 -41.686 -44.878 370 HG LEU 50 HG LEU 50 -25.026 -42.782 -43.235 371 HD11 LEU 50 1HD1 LEU 50 -26.833 -40.393 -42.682 372 HD12 LEU 50 2HD1 LEU 50 -25.650 -41.087 -41.548 373 HD13 LEU 50 3HD1 LEU 50 -25.093 -40.323 -43.053 374 HD21 LEU 50 3HD2 LEU 50 -28.029 -42.624 -42.756 375 HD22 LEU 50 1HD2 LEU 50 -27.101 -44.100 -43.118 376 HD23 LEU 50 2HD2 LEU 50 -26.828 -43.234 -41.593 377 H TPO 51 H TPO 51 -25.034 -42.145 -47.689 378 HA TPO 51 HA TPO 51 -27.379 -41.795 -49.261 379 HB TPO 51 HB TPO 51 -24.979 -40.606 -49.252 380 HG21 TPO 51 1HG2 TPO 51 -24.868 -42.678 -51.489 381 HG22 TPO 51 2HG2 TPO 51 -23.776 -41.284 -51.322 382 HG23 TPO 51 3HG2 TPO 51 -23.759 -42.571 -50.099 383 H ASP 52 H ASP 52 -28.153 -43.112 -50.932 384 HA ASP 52 HA ASP 52 -27.400 -45.868 -50.901 385 HB2 ASP 52 HB2 ASP 52 -29.737 -45.185 -51.282 386 HB3 ASP 52 HB3 ASP 52 -29.258 -44.336 -52.763 387 H GLY 53 H GLY 53 -26.091 -46.974 -52.300 388 HA2 GLY 53 HA2 GLY 53 -25.391 -46.378 -54.865 389 HA3 GLY 53 HA3 GLY 53 -24.219 -45.493 -53.861 390 H GLU 54 H GLU 54 -22.591 -46.905 -54.782 391 HA GLU 54 HA GLU 54 -22.531 -49.702 -54.460 392 HB2 GLU 54 HB2 GLU 54 -20.163 -47.818 -54.707 393 HB3 GLU 54 HB3 GLU 54 -20.186 -49.570 -54.892 394 HG2 GLU 54 HG2 GLU 54 -20.188 -48.874 -57.084 395 HG3 GLU 54 HG3 GLU 54 -21.907 -49.174 -56.790 396 H ASP 55 H ASP 55 -21.413 -51.011 -53.017 397 HA ASP 55 HA ASP 55 -21.519 -50.279 -50.317 398 HB2 ASP 55 HB2 ASP 55 -20.034 -52.601 -51.576 399 HB3 ASP 55 HB3 ASP 55 -20.479 -52.420 -49.868 400 H ASP 56 H ASP 56 -18.659 -50.440 -52.544 401 HA ASP 56 HA ASP 56 -17.211 -48.999 -50.422 402 HB2 ASP 56 HB2 ASP 56 -16.036 -51.205 -52.142 403 HB3 ASP 56 HB3 ASP 56 -15.123 -50.113 -51.083 404 H VAL 57 H VAL 57 -15.385 -47.803 -51.188 405 HA VAL 57 HA VAL 57 -15.921 -46.130 -53.378 406 HB VAL 57 HB VAL 57 -13.810 -45.118 -52.987 407 HG11 VAL 57 1HG1 VAL 57 -15.348 -45.763 -50.432 408 HG12 VAL 57 2HG1 VAL 57 -14.289 -44.357 -50.692 409 HG13 VAL 57 3HG1 VAL 57 -15.794 -44.520 -51.625 410 HG21 VAL 57 3HG2 VAL 57 -13.426 -47.324 -50.913 411 HG22 VAL 57 1HG2 VAL 57 -12.477 -47.112 -52.405 412 HG23 VAL 57 2HG2 VAL 57 -12.385 -45.895 -51.114 413 H PHE 58 H PHE 58 -13.936 -49.084 -53.058 414 HA PHE 58 HA PHE 58 -12.563 -48.950 -55.500 415 HB2 PHE 58 HB2 PHE 58 -13.341 -51.271 -53.742 416 HB3 PHE 58 HB3 PHE 58 -12.575 -51.492 -55.319 417 HD1 PHE 58 HD1 PHE 58 -12.082 -49.853 -51.996 418 HD2 PHE 58 HD2 PHE 58 -10.281 -51.233 -55.648 419 HE1 PHE 58 HE1 PHE 58 -9.828 -49.458 -51.036 420 HE2 PHE 58 HE2 PHE 58 -8.028 -50.842 -54.687 421 HZ PHE 58 HZ PHE 58 -7.802 -49.952 -52.381 422 H ASP 59 H ASP 59 -15.915 -50.000 -54.781 423 HA ASP 59 HA ASP 59 -16.241 -51.673 -56.998 424 HB2 ASP 59 HB2 ASP 59 -18.278 -50.004 -55.505 425 HB3 ASP 59 HB3 ASP 59 -18.668 -51.234 -56.720 426 HA PRO 60 HA PRO 60 -17.990 -48.270 -59.671 427 HB2 PRO 60 HB2 PRO 60 -17.383 -45.609 -59.315 428 HB3 PRO 60 HB3 PRO 60 -18.835 -46.411 -58.620 429 HG2 PRO 60 HG2 PRO 60 -16.160 -45.908 -57.284 430 HG3 PRO 60 HG3 PRO 60 -17.798 -45.575 -56.631 431 HD2 PRO 60 HD2 PRO 60 -16.451 -47.835 -55.942 432 HD3 PRO 60 HD3 PRO 60 -18.208 -47.888 -56.264 433 H ASP 61 H ASP 61 -17.097 -48.087 -61.593 434 HA ASP 61 HA ASP 61 -15.581 -48.264 -63.212 435 HB2 ASP 61 HB2 ASP 61 -14.196 -46.027 -61.714 436 HB3 ASP 61 HB3 ASP 61 -13.947 -46.487 -63.410 437 H LEU 62 H LEU 62 -15.257 -50.324 -61.359 438 HA LEU 62 HA LEU 62 -12.376 -50.527 -60.942 439 HB2 LEU 62 HB2 LEU 62 -13.995 -51.259 -59.139 440 HB3 LEU 62 HB3 LEU 62 -14.586 -52.501 -60.242 441 HG LEU 62 HG LEU 62 -12.233 -53.421 -60.373 442 HD11 LEU 62 1HD1 LEU 62 -11.791 -51.464 -58.070 443 HD12 LEU 62 2HD1 LEU 62 -10.668 -52.753 -58.557 444 HD13 LEU 62 3HD1 LEU 62 -10.994 -51.401 -59.660 445 HD21 LEU 62 3HD2 LEU 62 -13.515 -53.243 -57.615 446 HD22 LEU 62 1HD2 LEU 62 -13.959 -54.389 -58.902 447 HD23 LEU 62 2HD2 LEU 62 -12.355 -54.484 -58.144 448 H ASP 63 H ASP 63 -11.065 -51.814 -62.229 449 HA ASP 63 HA ASP 63 -12.404 -53.242 -64.425 450 HB2 ASP 63 HB2 ASP 63 -10.703 -51.603 -65.181 451 HB3 ASP 63 HB3 ASP 63 -9.485 -52.391 -64.160 452 H MET 64 H MET 64 -12.438 -55.457 -64.010 453 HA MET 64 HA MET 64 -10.744 -56.510 -61.846 454 HB2 MET 64 HB2 MET 64 -13.182 -56.632 -61.412 455 HB3 MET 64 HB3 MET 64 -13.399 -57.570 -62.906 456 HG2 MET 64 HG2 MET 64 -11.912 -59.324 -62.044 457 HG3 MET 64 HG3 MET 64 -11.603 -58.377 -60.584 458 HE1 MET 64 HE1 MET 64 -14.488 -57.215 -59.866 459 HE2 MET 64 HE2 MET 64 -15.005 -58.458 -58.706 460 HE3 MET 64 HE3 MET 64 -13.316 -57.896 -58.711 461 H GLU 65 H GLU 65 -9.376 -58.140 -62.259 462 HA GLU 65 HA GLU 65 -9.292 -59.124 -65.028 463 HB2 GLU 65 HB2 GLU 65 -7.248 -57.900 -64.343 464 HB3 GLU 65 HB3 GLU 65 -7.057 -58.998 -62.959 465 HG2 GLU 65 HG2 GLU 65 -6.871 -60.924 -64.503 466 HG3 GLU 65 HG3 GLU 65 -7.108 -59.841 -65.889 467 H VAL 66 H VAL 66 -9.726 -61.249 -65.297 468 HA VAL 66 HA VAL 66 -9.832 -62.945 -62.887 469 HB VAL 66 HB VAL 66 -11.302 -63.204 -65.530 470 HG11 VAL 66 1HG1 VAL 66 -11.302 -64.951 -63.030 471 HG12 VAL 66 2HG1 VAL 66 -12.398 -65.140 -64.420 472 HG13 VAL 66 3HG1 VAL 66 -10.653 -65.400 -64.624 473 HG21 VAL 66 3HG2 VAL 66 -12.256 -62.624 -62.691 474 HG22 VAL 66 1HG2 VAL 66 -12.222 -61.461 -64.037 475 HG23 VAL 66 2HG2 VAL 66 -13.305 -62.868 -64.108 476 H VAL 67 H VAL 67 -8.120 -64.479 -62.926 477 HA VAL 67 HA VAL 67 -6.482 -64.591 -65.339 478 HB VAL 67 HB VAL 67 -4.839 -65.693 -64.077 479 HG11 VAL 67 1HG1 VAL 67 -6.029 -63.354 -62.524 480 HG12 VAL 67 2HG1 VAL 67 -4.340 -63.907 -62.462 481 HG13 VAL 67 3HG1 VAL 67 -4.997 -63.220 -63.966 482 HG21 VAL 67 3HG2 VAL 67 -6.838 -65.623 -61.776 483 HG22 VAL 67 1HG2 VAL 67 -6.285 -67.078 -62.637 484 HG23 VAL 67 2HG2 VAL 67 -5.139 -66.136 -61.661 485 H PHE 68 H PHE 68 -9.112 -66.456 -64.219 486 HA PHE 68 HA PHE 68 -9.924 -68.483 -64.705 487 HB2 PHE 68 HB2 PHE 68 -8.364 -68.296 -67.282 488 HB3 PHE 68 HB3 PHE 68 -9.741 -69.351 -66.928 489 HD1 PHE 68 HD2 PHE 68 -12.018 -68.413 -66.697 490 HD2 PHE 68 HD1 PHE 68 -8.665 -65.945 -67.767 491 HE1 PHE 68 HE2 PHE 68 -13.570 -66.628 -67.447 492 HE2 PHE 68 HE1 PHE 68 -10.216 -64.163 -68.518 493 HZ PHE 68 HZ PHE 68 -12.669 -64.503 -68.358 494 H GLU 69 H GLU 69 -7.737 -68.580 -62.976 495 HA GLU 69 HA GLU 69 -6.260 -69.936 -62.016 496 HB2 GLU 69 HB2 GLU 69 -7.528 -72.153 -63.638 497 HB3 GLU 69 HB3 GLU 69 -6.503 -72.322 -62.197 498 HG2 GLU 69 HG2 GLU 69 -8.165 -71.034 -60.876 499 HG3 GLU 69 HG3 GLU 69 -9.205 -70.922 -62.311 500 H THR 70 H THR 70 -5.358 -68.519 -64.482 501 HA THR 70 HA THR 70 -3.343 -70.438 -65.409 502 HB THR 70 HB THR 70 -4.171 -67.759 -66.544 503 HG1 THR 70 HG1 THR 70 -5.034 -69.092 -68.184 504 HG21 THR 70 1HG2 THR 70 -2.273 -69.921 -67.552 505 HG22 THR 70 2HG2 THR 70 -2.753 -68.463 -68.451 506 HG23 THR 70 3HG2 THR 70 -1.804 -68.311 -66.957 507 H GLN 71 H GLN 71 -1.273 -70.065 -64.597 508 HA GLN 71 HA GLN 71 -0.919 -67.639 -62.970 509 HB2 GLN 71 HB2 GLN 71 0.650 -70.241 -62.823 510 HB3 GLN 71 HB3 GLN 71 0.865 -68.802 -61.801 511 HG2 GLN 71 HG2 GLN 71 -1.616 -70.567 -61.965 512 HG3 GLN 71 HG3 GLN 71 -0.463 -70.495 -60.622 513 HE21 GLN 71 2HE2 GLN 71 -3.492 -69.676 -61.271 514 HE22 GLN 71 1HE2 GLN 71 -3.637 -68.145 -60.438 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -24.072 -46.951 -25.970 2 H2 GLY 1 H2 GLY 1 -25.501 -47.528 -26.673 3 H3 GLY 1 H3 GLY 1 -24.857 -46.049 -27.175 4 HA2 GLY 1 HA3 GLY 1 -26.161 -46.684 -24.603 5 HA3 GLY 1 HA2 GLY 1 -25.167 -45.228 -24.837 6 H SER 2 H SER 2 -28.224 -46.575 -25.068 7 HA SER 2 HA SER 2 -29.334 -45.340 -27.356 8 HB2 SER 2 HB2 SER 2 -31.489 -45.846 -26.271 9 HB3 SER 2 HB3 SER 2 -30.404 -47.257 -26.250 10 HG SER 2 HG SER 2 -31.412 -46.881 -24.230 11 H THR 3 H THR 3 -29.017 -44.408 -23.899 12 HA THR 3 HA THR 3 -30.306 -41.853 -24.335 13 HB THR 3 HB THR 3 -30.684 -43.125 -22.257 14 HG1 THR 3 HG1 THR 3 -30.855 -40.844 -22.375 15 HG21 THR 3 1HG2 THR 3 -27.761 -42.439 -21.746 16 HG22 THR 3 2HG2 THR 3 -28.892 -43.133 -20.560 17 HG23 THR 3 3HG2 THR 3 -28.420 -44.074 -21.994 18 H ALA 4 H ALA 4 -29.047 -39.836 -23.490 19 HA ALA 4 HA ALA 4 -26.586 -39.784 -25.022 20 HB1 ALA 4 HB1 ALA 4 -27.913 -37.574 -23.415 21 HB2 ALA 4 HB2 ALA 4 -26.496 -37.404 -24.480 22 HB3 ALA 4 HB3 ALA 4 -28.080 -37.835 -25.168 23 H MET 5 H MET 5 -24.765 -40.477 -24.104 24 HA MET 5 HA MET 5 -24.502 -40.340 -21.190 25 HB2 MET 5 HB2 MET 5 -22.852 -41.844 -23.290 26 HB3 MET 5 HB3 MET 5 -22.553 -41.861 -21.536 27 HG2 MET 5 HG2 MET 5 -25.077 -42.849 -22.928 28 HG3 MET 5 HG3 MET 5 -23.796 -43.871 -22.232 29 HE1 MET 5 HE1 MET 5 -23.116 -42.240 -19.573 30 HE2 MET 5 HE2 MET 5 -24.136 -43.121 -18.412 31 HE3 MET 5 HE3 MET 5 -23.241 -44.013 -19.663 32 H ALA 6 H ALA 6 -23.601 -38.299 -20.794 33 HA ALA 6 HA ALA 6 -22.475 -36.379 -21.001 34 HB1 ALA 6 HB1 ALA 6 -20.234 -38.158 -21.925 35 HB2 ALA 6 HB2 ALA 6 -20.103 -36.462 -21.404 36 HB3 ALA 6 HB3 ALA 6 -20.629 -37.710 -20.249 37 H THR 7 H THR 7 -24.259 -36.611 -22.962 38 HA THR 7 HA THR 7 -24.993 -35.633 -24.799 39 HB THR 7 HB THR 7 -24.001 -33.900 -25.935 40 HG1 THR 7 HG1 THR 7 -21.848 -34.664 -25.922 41 HG21 THR 7 1HG2 THR 7 -23.506 -33.730 -22.935 42 HG22 THR 7 2HG2 THR 7 -23.701 -32.348 -24.039 43 HG23 THR 7 3HG2 THR 7 -25.063 -33.457 -23.753 44 H THR 8 H THR 8 -21.639 -36.836 -25.597 45 HA THR 8 HA THR 8 -22.993 -37.861 -28.024 46 HB THR 8 HB THR 8 -20.098 -37.063 -27.732 47 HG1 THR 8 HG1 THR 8 -20.797 -35.364 -29.116 48 HG21 THR 8 1HG2 THR 8 -21.786 -37.892 -30.130 49 HG22 THR 8 2HG2 THR 8 -20.087 -37.365 -30.183 50 HG23 THR 8 3HG2 THR 8 -20.524 -38.881 -29.358 51 H MET 9 H MET 9 -22.687 -39.943 -28.593 52 HA MET 9 HA MET 9 -21.401 -41.709 -26.637 53 HB2 MET 9 HB2 MET 9 -23.894 -41.944 -27.090 54 HB3 MET 9 HB3 MET 9 -23.465 -42.450 -28.741 55 HG2 MET 9 HG2 MET 9 -23.844 -44.389 -27.295 56 HG3 MET 9 HG3 MET 9 -22.145 -44.317 -27.821 57 HE1 MET 9 HE1 MET 9 -20.959 -45.742 -26.230 58 HE2 MET 9 HE2 MET 9 -21.382 -45.903 -24.510 59 HE3 MET 9 HE3 MET 9 -22.575 -46.322 -25.763 60 H GLU 10 H GLU 10 -20.396 -43.550 -27.275 61 HA GLU 10 HA GLU 10 -18.930 -44.878 -28.227 62 HB2 GLU 10 HB2 GLU 10 -19.523 -43.580 -30.873 63 HB3 GLU 10 HB3 GLU 10 -18.606 -45.078 -30.578 64 HG2 GLU 10 HG2 GLU 10 -20.623 -46.078 -29.519 65 HG3 GLU 10 HG3 GLU 10 -21.533 -44.593 -29.886 66 H GLN 11 H GLN 11 -18.351 -41.570 -27.975 67 HA GLN 11 HA GLN 11 -15.575 -42.011 -28.799 68 HB2 GLN 11 HB2 GLN 11 -15.329 -39.615 -28.754 69 HB3 GLN 11 HB3 GLN 11 -16.551 -40.188 -29.915 70 HG2 GLN 11 HG2 GLN 11 -18.322 -39.553 -28.315 71 HG3 GLN 11 HG3 GLN 11 -17.073 -38.908 -27.225 72 HE21 GLN 11 1HE2 GLN 11 -16.500 -36.789 -27.486 73 HE22 GLN 11 2HE2 GLN 11 -16.796 -35.839 -28.926 74 H GLU 12 H GLU 12 -17.245 -42.763 -26.161 75 HA GLU 12 HA GLU 12 -16.781 -43.333 -24.086 76 HB2 GLU 12 HB2 GLU 12 -13.924 -43.242 -24.864 77 HB3 GLU 12 HB3 GLU 12 -14.605 -43.878 -23.349 78 HG2 GLU 12 HG2 GLU 12 -16.048 -45.415 -24.717 79 HG3 GLU 12 HG3 GLU 12 -15.188 -44.852 -26.170 80 H ILE 13 H ILE 13 -15.738 -42.797 -21.845 81 HA ILE 13 HA ILE 13 -15.608 -39.852 -21.700 82 HB ILE 13 HB ILE 13 -17.361 -41.646 -19.923 83 HG12 ILE 13 2HG1 ILE 13 -18.271 -39.567 -21.955 84 HG13 ILE 13 3HG1 ILE 13 -18.259 -41.319 -22.265 85 HG21 ILE 13 1HG2 ILE 13 -17.021 -38.614 -20.067 86 HG22 ILE 13 2HG2 ILE 13 -18.143 -39.482 -18.992 87 HG23 ILE 13 3HG2 ILE 13 -16.386 -39.671 -18.783 88 HD11 ILE 13 3HD1 ILE 13 -19.803 -41.666 -20.373 89 HD12 ILE 13 1HD1 ILE 13 -19.815 -39.912 -20.063 90 HD13 ILE 13 2HD1 ILE 13 -20.491 -40.552 -21.581 91 H CYS 14 H CYS 14 -13.835 -39.343 -20.262 92 HA CYS 14 HA CYS 14 -13.283 -41.228 -18.058 93 HB2 CYS 14 HB2 CYS 14 -11.484 -41.626 -19.573 94 HB3 CYS 14 HB3 CYS 14 -11.127 -39.884 -19.656 95 HG CYS 14 HG CYS 14 -9.381 -41.077 -18.110 96 H ALA 15 H ALA 15 -11.104 -38.540 -17.990 97 HA ALA 15 HA ALA 15 -12.749 -37.197 -16.016 98 HB1 ALA 15 HB1 ALA 15 -9.802 -36.967 -16.666 99 HB2 ALA 15 HB2 ALA 15 -10.666 -36.109 -15.368 100 HB3 ALA 15 HB3 ALA 15 -10.520 -37.882 -15.320 101 H HIS 16 H HIS 16 -10.358 -35.668 -18.482 102 HA HIS 16 HA HIS 16 -12.649 -33.953 -19.171 103 HB2 HIS 16 HB2 HIS 16 -11.610 -31.860 -18.770 104 HB3 HIS 16 HB3 HIS 16 -11.927 -32.767 -17.272 105 HD1 HIS 16 HD1 HIS 16 -9.891 -33.508 -15.927 106 HD2 HIS 16 HD2 HIS 16 -9.010 -31.183 -19.316 107 HE1 HIS 16 HE1 HIS 16 -7.501 -32.584 -15.618 108 H SER 17 H SER 17 -12.982 -34.389 -21.127 109 HA SER 17 HA SER 17 -12.776 -34.330 -23.327 110 HB2 SER 17 HB2 SER 17 -11.742 -31.603 -22.558 111 HB3 SER 17 HB3 SER 17 -12.393 -32.074 -24.146 112 HG SER 17 HG SER 17 -13.972 -31.131 -22.774 113 H MET 18 H MET 18 -10.896 -36.159 -23.128 114 HA MET 18 HA MET 18 -9.129 -35.133 -25.241 115 HB2 MET 18 HB2 MET 18 -7.907 -35.969 -22.743 116 HB3 MET 18 HB3 MET 18 -7.184 -36.453 -24.296 117 HG2 MET 18 HG2 MET 18 -6.157 -34.417 -23.745 118 HG3 MET 18 HG3 MET 18 -7.380 -33.988 -24.963 119 HE1 MET 18 HE1 MET 18 -7.060 -31.518 -24.509 120 HE2 MET 18 HE2 MET 18 -7.113 -30.782 -22.889 121 HE3 MET 18 HE3 MET 18 -5.805 -31.913 -23.311 122 H THR 19 H THR 19 -8.020 -38.213 -24.196 123 HA THR 19 HA THR 19 -9.345 -39.388 -26.498 124 HB THR 19 HB THR 19 -6.307 -39.360 -26.277 125 HG1 THR 19 HG1 THR 19 -7.185 -37.285 -26.783 126 HG21 THR 19 1HG2 THR 19 -8.138 -40.178 -28.551 127 HG22 THR 19 2HG2 THR 19 -6.359 -40.176 -28.575 128 HG23 THR 19 3HG2 THR 19 -7.232 -41.282 -27.489 129 H PHE 20 H PHE 20 -8.892 -41.760 -26.579 130 HA PHE 20 HA PHE 20 -9.164 -43.061 -24.159 131 HB2 PHE 20 HB2 PHE 20 -9.819 -43.992 -26.390 132 HB3 PHE 20 HB3 PHE 20 -8.107 -44.060 -26.870 133 HD1 PHE 20 HD2 PHE 20 -6.620 -45.765 -25.994 134 HD2 PHE 20 HD1 PHE 20 -10.761 -45.605 -24.858 135 HE1 PHE 20 HE2 PHE 20 -6.471 -48.079 -25.113 136 HE2 PHE 20 HE1 PHE 20 -10.614 -47.917 -23.984 137 HZ PHE 20 HZ PHE 20 -8.472 -49.159 -24.116 138 H GLU 21 H GLU 21 -6.235 -42.636 -26.265 139 HA GLU 21 HA GLU 21 -4.447 -44.079 -24.662 140 HB2 GLU 21 HB2 GLU 21 -3.888 -41.791 -26.582 141 HB3 GLU 21 HB3 GLU 21 -2.701 -42.951 -25.937 142 HG2 GLU 21 HG2 GLU 21 -3.933 -44.807 -27.010 143 HG3 GLU 21 HG3 GLU 21 -5.120 -43.648 -27.653 144 H GLU 22 H GLU 22 -5.479 -40.680 -24.756 145 HA GLU 22 HA GLU 22 -3.578 -39.698 -22.887 146 HB2 GLU 22 HB2 GLU 22 -6.188 -38.550 -23.941 147 HB3 GLU 22 HB3 GLU 22 -5.000 -37.677 -22.944 148 HG2 GLU 22 HG2 GLU 22 -4.368 -38.923 -25.640 149 HG3 GLU 22 HG3 GLU 22 -4.819 -37.218 -25.404 150 H CYS 23 H CYS 23 -6.588 -41.474 -22.423 151 HA CYS 23 HA CYS 23 -7.600 -40.300 -20.177 152 HB2 CYS 23 HB2 CYS 23 -8.789 -42.074 -21.231 153 HB3 CYS 23 HB3 CYS 23 -7.458 -43.221 -20.945 154 HG CYS 23 HG CYS 23 -9.479 -43.820 -19.473 155 HA PRO 24 HA PRO 24 -4.975 -42.760 -17.111 156 HB2 PRO 24 HB2 PRO 24 -2.376 -43.349 -17.691 157 HB3 PRO 24 HB3 PRO 24 -3.714 -44.515 -17.828 158 HG2 PRO 24 HG2 PRO 24 -2.429 -42.806 -20.009 159 HG3 PRO 24 HG3 PRO 24 -2.912 -44.518 -20.093 160 HD2 PRO 24 HD2 PRO 24 -4.508 -42.571 -21.134 161 HD3 PRO 24 HD3 PRO 24 -5.202 -44.004 -20.339 162 H LYS 25 H LYS 25 -3.538 -40.361 -19.367 163 HA LYS 25 HA LYS 25 -1.833 -39.128 -17.495 164 HB2 LYS 25 HB2 LYS 25 -3.271 -37.814 -19.811 165 HB3 LYS 25 HB3 LYS 25 -1.925 -37.137 -18.864 166 HG2 LYS 25 HG2 LYS 25 -0.519 -39.100 -19.541 167 HG3 LYS 25 HG3 LYS 25 -1.855 -39.659 -20.575 168 HD2 LYS 25 HD2 LYS 25 -1.772 -37.521 -21.830 169 HD3 LYS 25 HD3 LYS 25 -0.425 -36.976 -20.803 170 HE2 LYS 25 HE2 LYS 25 0.436 -37.867 -22.921 171 HE3 LYS 25 HE3 LYS 25 0.920 -38.926 -21.574 172 HZ1 LYS 25 HZ1 LYS 25 -0.882 -40.365 -22.141 173 HZ2 LYS 25 HZ2 LYS 25 -1.335 -39.386 -23.389 174 HZ3 LYS 25 HZ3 LYS 25 0.122 -40.159 -23.434 175 H CYS 26 H CYS 26 -5.338 -38.607 -18.448 176 HA CYS 26 HA CYS 26 -5.404 -37.123 -15.887 177 HB2 CYS 26 HB2 CYS 26 -5.576 -35.391 -17.327 178 HB3 CYS 26 HB3 CYS 26 -6.885 -36.182 -18.236 179 HG CYS 26 HG CYS 26 -7.860 -34.301 -16.727 180 H SER 27 H SER 27 -5.803 -38.192 -14.594 181 HA SER 27 HA SER 27 -8.464 -39.313 -14.255 182 HB2 SER 27 HB2 SER 27 -5.783 -40.331 -13.156 183 HB3 SER 27 HB3 SER 27 -7.385 -40.949 -12.692 184 HG SER 27 HG SER 27 -6.276 -40.963 -15.309 185 H ALA 28 H ALA 28 -7.120 -36.620 -14.178 186 HA ALA 28 HA ALA 28 -6.031 -35.908 -11.684 187 HB1 ALA 28 HB1 ALA 28 -6.980 -34.219 -14.012 188 HB2 ALA 28 HB2 ALA 28 -6.068 -33.646 -12.595 189 HB3 ALA 28 HB3 ALA 28 -5.319 -34.793 -13.730 190 H LEU 29 H LEU 29 -6.732 -33.989 -10.603 191 HA LEU 29 HA LEU 29 -8.970 -34.481 -9.109 192 HB2 LEU 29 HB2 LEU 29 -7.518 -31.831 -9.537 193 HB3 LEU 29 HB3 LEU 29 -8.574 -32.248 -8.167 194 HG LEU 29 HG LEU 29 -5.964 -33.650 -8.870 195 HD11 LEU 29 1HD1 LEU 29 -6.698 -31.694 -6.645 196 HD12 LEU 29 2HD1 LEU 29 -5.132 -32.521 -6.822 197 HD13 LEU 29 3HD1 LEU 29 -5.655 -31.334 -8.040 198 HD21 LEU 29 3HD2 LEU 29 -7.807 -33.923 -6.462 199 HD22 LEU 29 1HD2 LEU 29 -7.595 -35.131 -7.752 200 HD23 LEU 29 2HD2 LEU 29 -6.236 -34.732 -6.673 201 H GLN 30 H GLN 30 -8.697 -32.346 -12.043 202 HA GLN 30 HA GLN 30 -11.076 -30.948 -11.525 203 HB2 GLN 30 HB2 GLN 30 -9.969 -31.667 -14.256 204 HB3 GLN 30 HB3 GLN 30 -11.056 -30.326 -13.830 205 HG2 GLN 30 HG2 GLN 30 -9.305 -29.289 -12.471 206 HG3 GLN 30 HG3 GLN 30 -8.205 -30.638 -12.828 207 HE21 GLN 30 1HE2 GLN 30 -6.736 -30.175 -14.365 208 HE22 GLN 30 2HE2 GLN 30 -7.002 -29.140 -15.750 209 H TYR 31 H TYR 31 -10.775 -33.969 -13.613 210 HA TYR 31 HA TYR 31 -12.389 -35.241 -14.544 211 HB2 TYR 31 HB2 TYR 31 -13.804 -34.921 -11.904 212 HB3 TYR 31 HB3 TYR 31 -14.219 -36.068 -13.184 213 HD1 TYR 31 HD2 TYR 31 -12.487 -37.776 -13.918 214 HD2 TYR 31 HD1 TYR 31 -12.181 -35.507 -10.280 215 HE1 TYR 31 HE2 TYR 31 -10.941 -39.480 -12.997 216 HE2 TYR 31 HE1 TYR 31 -10.641 -37.209 -9.341 217 HH TYR 31 HH TYR 31 -9.678 -40.130 -11.196 218 H ARG 32 H ARG 32 -12.668 -32.472 -15.435 219 HA ARG 32 HA ARG 32 -15.330 -31.601 -15.126 220 HB2 ARG 32 HB2 ARG 32 -13.466 -30.940 -17.398 221 HB3 ARG 32 HB3 ARG 32 -14.939 -30.076 -16.910 222 HG2 ARG 32 HG2 ARG 32 -13.911 -29.636 -14.681 223 HG3 ARG 32 HG3 ARG 32 -12.424 -30.435 -15.250 224 HD2 ARG 32 HD2 ARG 32 -12.175 -28.783 -17.037 225 HD3 ARG 32 HD3 ARG 32 -13.701 -28.007 -16.567 226 HE ARG 32 HE ARG 32 -11.104 -27.696 -15.306 227 HH11 ARG 32 1HH1 ARG 32 -14.608 -27.549 -14.793 228 HH12 ARG 32 2HH1 ARG 32 -14.491 -26.446 -13.439 229 HH21 ARG 32 1HH2 ARG 32 -10.964 -26.253 -13.527 230 HH22 ARG 32 2HH2 ARG 32 -12.417 -25.710 -12.719 231 H ASN 33 H ASN 33 -14.155 -33.518 -18.000 232 HA ASN 33 HA ASN 33 -17.039 -33.735 -18.585 233 HB2 ASN 33 HB2 ASN 33 -14.872 -33.214 -20.665 234 HB3 ASN 33 HB3 ASN 33 -16.580 -33.573 -20.998 235 HD21 ASN 33 1HD2 ASN 33 -14.274 -31.121 -20.392 236 HD22 ASN 33 2HD2 ASN 33 -15.376 -29.786 -20.134 237 H GLY 34 H GLY 34 -14.129 -34.912 -20.393 238 HA2 GLY 34 HA2 GLY 34 -14.126 -37.481 -19.222 239 HA3 GLY 34 HA3 GLY 34 -14.996 -37.471 -20.775 240 H PHE 35 H PHE 35 -11.938 -37.918 -19.426 241 HA PHE 35 HA PHE 35 -10.332 -36.495 -21.289 242 HB2 PHE 35 HB2 PHE 35 -9.822 -37.467 -18.834 243 HB3 PHE 35 HB3 PHE 35 -9.152 -38.776 -19.821 244 HD1 PHE 35 HD1 PHE 35 -9.255 -35.037 -19.579 245 HD2 PHE 35 HD2 PHE 35 -6.957 -38.470 -20.666 246 HE1 PHE 35 HE1 PHE 35 -7.325 -33.565 -20.044 247 HE2 PHE 35 HE2 PHE 35 -4.975 -37.000 -21.069 248 HZ PHE 35 HZ PHE 35 -5.174 -34.556 -20.795 249 H TYR 36 H TYR 36 -12.262 -39.398 -21.583 250 HA TYR 36 HA TYR 36 -10.469 -40.405 -23.667 251 HB2 TYR 36 HB2 TYR 36 -13.229 -41.421 -22.911 252 HB3 TYR 36 HB3 TYR 36 -12.232 -42.031 -24.205 253 HD1 TYR 36 HD2 TYR 36 -10.700 -43.774 -23.879 254 HD2 TYR 36 HD1 TYR 36 -12.991 -42.212 -20.708 255 HE1 TYR 36 HE2 TYR 36 -9.854 -45.603 -22.421 256 HE2 TYR 36 HE1 TYR 36 -12.355 -44.111 -19.254 257 HH TYR 36 HH TYR 36 -11.023 -45.986 -19.051 258 H LEU 37 H LEU 37 -13.281 -38.339 -22.925 259 HA LEU 37 HA LEU 37 -15.054 -38.900 -24.974 260 HB2 LEU 37 HB2 LEU 37 -15.583 -37.726 -22.854 261 HB3 LEU 37 HB3 LEU 37 -14.710 -36.315 -23.464 262 HG LEU 37 HG LEU 37 -16.317 -36.206 -25.393 263 HD11 LEU 37 1HD1 LEU 37 -17.887 -38.191 -23.690 264 HD12 LEU 37 2HD1 LEU 37 -18.455 -37.395 -25.175 265 HD13 LEU 37 3HD1 LEU 37 -17.131 -38.579 -25.245 266 HD21 LEU 37 3HD2 LEU 37 -17.435 -36.052 -22.561 267 HD22 LEU 37 1HD2 LEU 37 -16.491 -34.787 -23.380 268 HD23 LEU 37 2HD2 LEU 37 -18.106 -35.225 -23.986 269 H LEU 38 H LEU 38 -12.580 -36.178 -25.346 270 HA LEU 38 HA LEU 38 -14.083 -35.481 -27.671 271 HB2 LEU 38 HB2 LEU 38 -11.250 -34.744 -27.187 272 HB3 LEU 38 HB3 LEU 38 -12.284 -34.215 -28.526 273 HG LEU 38 HG LEU 38 -12.802 -33.716 -25.568 274 HD11 LEU 38 1HD1 LEU 38 -12.043 -31.863 -27.870 275 HD12 LEU 38 2HD1 LEU 38 -12.357 -31.362 -26.193 276 HD13 LEU 38 3HD1 LEU 38 -10.952 -32.389 -26.570 277 HD21 LEU 38 3HD2 LEU 38 -14.354 -32.878 -28.057 278 HD22 LEU 38 1HD2 LEU 38 -14.941 -33.927 -26.740 279 HD23 LEU 38 2HD2 LEU 38 -14.617 -32.213 -26.428 280 H LYS 39 H LYS 39 -11.277 -37.738 -27.442 281 HA LYS 39 HA LYS 39 -12.183 -38.559 -30.113 282 HB2 LYS 39 HB2 LYS 39 -9.265 -38.134 -29.427 283 HB3 LYS 39 HB3 LYS 39 -9.903 -38.943 -30.875 284 HG2 LYS 39 HG2 LYS 39 -11.114 -36.861 -31.493 285 HG3 LYS 39 HG3 LYS 39 -10.406 -36.046 -30.077 286 HD2 LYS 39 HD2 LYS 39 -8.134 -36.486 -30.958 287 HD3 LYS 39 HD3 LYS 39 -8.837 -37.317 -32.367 288 HE2 LYS 39 HE2 LYS 39 -10.016 -35.235 -33.002 289 HE3 LYS 39 HE3 LYS 39 -9.309 -34.406 -31.600 290 HZ1 LYS 39 HZ1 LYS 39 -7.150 -34.813 -32.527 291 HZ2 LYS 39 HZ2 LYS 39 -8.086 -33.979 -33.597 292 HZ3 LYS 39 HZ3 LYS 39 -7.806 -35.587 -33.827 293 H TYR 40 H TYR 40 -12.557 -40.533 -30.396 294 HA TYR 40 HA TYR 40 -11.073 -42.491 -28.771 295 HB2 TYR 40 HB2 TYR 40 -13.431 -42.505 -28.142 296 HB3 TYR 40 HB3 TYR 40 -13.892 -42.741 -29.832 297 HD1 TYR 40 HD1 TYR 40 -11.539 -44.299 -27.353 298 HD2 TYR 40 HD2 TYR 40 -14.539 -44.900 -30.356 299 HE1 TYR 40 HE1 TYR 40 -11.335 -46.758 -27.055 300 HE2 TYR 40 HE2 TYR 40 -14.331 -47.351 -30.101 301 HH TYR 40 HH TYR 40 -13.274 -49.070 -29.001 302 H ASP 41 H ASP 41 -11.132 -40.817 -31.592 303 HA ASP 41 HA ASP 41 -10.557 -40.989 -33.690 304 HB2 ASP 41 HB2 ASP 41 -8.922 -43.353 -32.831 305 HB3 ASP 41 HB3 ASP 41 -8.727 -42.364 -34.294 306 H GLU 42 H GLU 42 -13.119 -41.985 -33.209 307 HA GLU 42 HA GLU 42 -13.348 -44.259 -35.012 308 HB2 GLU 42 HB2 GLU 42 -15.526 -42.635 -33.660 309 HB3 GLU 42 HB3 GLU 42 -15.790 -44.013 -34.752 310 HG2 GLU 42 HG2 GLU 42 -14.180 -44.109 -32.178 311 HG3 GLU 42 HG3 GLU 42 -15.867 -44.646 -32.330 312 H GLU 43 H GLU 43 -14.488 -44.063 -37.037 313 HA GLU 43 HA GLU 43 -14.022 -41.550 -38.369 314 HB2 GLU 43 HB2 GLU 43 -13.608 -43.644 -39.595 315 HB3 GLU 43 HB3 GLU 43 -15.289 -44.156 -39.326 316 HG2 GLU 43 HG2 GLU 43 -16.103 -42.214 -40.611 317 HG3 GLU 43 HG3 GLU 43 -14.437 -41.646 -40.829 318 H TRP 44 H TRP 44 -15.651 -39.996 -38.459 319 HA TRP 44 HA TRP 44 -18.358 -40.824 -37.648 320 HB2 TRP 44 HB2 TRP 44 -16.950 -38.203 -37.217 321 HB3 TRP 44 HB3 TRP 44 -18.703 -38.394 -37.149 322 HD1 TRP 44 HD1 TRP 44 -15.547 -39.457 -35.253 323 HE1 TRP 44 HE1 TRP 44 -16.190 -40.162 -32.889 324 HE3 TRP 44 HE3 TRP 44 -20.629 -39.270 -35.732 325 HZ2 TRP 44 HZ2 TRP 44 -18.630 -40.575 -31.370 326 HZ3 TRP 44 HZ3 TRP 44 -22.086 -39.811 -33.813 327 HH2 TRP 44 HH2 TRP 44 -21.108 -40.461 -31.636 328 H PTR 45 H PTR 45 -20.080 -40.311 -38.579 329 HA PTR 45 HA PTR 45 -21.487 -40.083 -40.255 330 HB2 PTR 45 HB2 PTR 45 -20.261 -37.361 -40.493 331 HB3 PTR 45 HB3 PTR 45 -21.840 -37.894 -41.095 332 HD1 PTR 45 HD1 PTR 45 -19.959 -36.746 -38.205 333 HD2 PTR 45 HD2 PTR 45 -23.597 -38.660 -39.461 334 HE1 PTR 45 HE1 PTR 45 -20.964 -36.271 -35.990 335 HE2 PTR 45 HE2 PTR 45 -24.617 -38.188 -37.250 336 HA PRO 46 HA PRO 46 -18.901 -40.987 -43.869 337 HB2 PRO 46 HB2 PRO 46 -18.996 -43.706 -44.036 338 HB3 PRO 46 HB3 PRO 46 -17.809 -42.861 -42.979 339 HG2 PRO 46 HG2 PRO 46 -20.501 -44.028 -42.196 340 HG3 PRO 46 HG3 PRO 46 -18.917 -44.274 -41.388 341 HD2 PRO 46 HD2 PRO 46 -20.736 -42.406 -40.529 342 HD3 PRO 46 HD3 PRO 46 -18.969 -42.117 -40.440 343 H GLU 47 H GLU 47 -20.519 -39.872 -44.886 344 HA GLU 47 HA GLU 47 -23.211 -40.578 -45.031 345 HB2 GLU 47 HB2 GLU 47 -21.591 -38.858 -46.913 346 HB3 GLU 47 HB3 GLU 47 -23.364 -38.954 -46.821 347 HG2 GLU 47 HG2 GLU 47 -23.261 -38.236 -44.438 348 HG3 GLU 47 HG3 GLU 47 -21.499 -38.073 -44.577 349 H GLU 48 H GLU 48 -20.466 -41.452 -47.161 350 HA GLU 48 HA GLU 48 -21.942 -42.517 -49.263 351 HB2 GLU 48 HB2 GLU 48 -19.249 -43.416 -48.115 352 HB3 GLU 48 HB3 GLU 48 -19.910 -43.890 -49.694 353 HG2 GLU 48 HG2 GLU 48 -20.016 -41.457 -50.315 354 HG3 GLU 48 HG3 GLU 48 -19.171 -41.076 -48.802 355 H LEU 49 H LEU 49 -20.656 -44.062 -46.201 356 HA LEU 49 HA LEU 49 -21.608 -46.655 -46.796 357 HB2 LEU 49 HB2 LEU 49 -20.990 -45.477 -44.087 358 HB3 LEU 49 HB3 LEU 49 -21.214 -47.192 -44.482 359 HG LEU 49 HG LEU 49 -19.040 -45.376 -45.615 360 HD11 LEU 49 1HD1 LEU 49 -18.917 -47.663 -43.605 361 HD12 LEU 49 2HD1 LEU 49 -17.527 -46.746 -44.233 362 HD13 LEU 49 3HD1 LEU 49 -18.743 -45.935 -43.220 363 HD21 LEU 49 3HD2 LEU 49 -19.551 -48.364 -45.950 364 HD22 LEU 49 1HD2 LEU 49 -19.647 -47.127 -47.228 365 HD23 LEU 49 2HD2 LEU 49 -18.084 -47.511 -46.484 366 H LEU 50 H LEU 50 -23.061 -43.898 -45.009 367 HA LEU 50 HA LEU 50 -25.249 -45.265 -43.937 368 HB2 LEU 50 HB2 LEU 50 -24.938 -42.364 -44.794 369 HB3 LEU 50 HB3 LEU 50 -26.341 -42.993 -43.911 370 HG LEU 50 HG LEU 50 -23.481 -43.234 -42.896 371 HD11 LEU 50 1HD1 LEU 50 -25.624 -41.189 -42.190 372 HD12 LEU 50 2HD1 LEU 50 -24.044 -41.362 -41.389 373 HD13 LEU 50 3HD1 LEU 50 -24.127 -40.857 -43.091 374 HD21 LEU 50 3HD2 LEU 50 -26.192 -43.570 -41.552 375 HD22 LEU 50 1HD2 LEU 50 -25.043 -44.873 -41.937 376 HD23 LEU 50 2HD2 LEU 50 -24.617 -43.645 -40.730 377 H TPO 51 H TPO 51 -24.835 -43.521 -47.115 378 HA TPO 51 HA TPO 51 -27.547 -44.074 -47.880 379 HB TPO 51 HB TPO 51 -26.950 -43.266 -50.059 380 HG21 TPO 51 1HG2 TPO 51 -25.970 -41.529 -47.751 381 HG22 TPO 51 2HG2 TPO 51 -26.469 -40.947 -49.356 382 HG23 TPO 51 3HG2 TPO 51 -27.659 -41.709 -48.276 383 H ASP 52 H ASP 52 -28.335 -45.445 -49.451 384 HA ASP 52 HA ASP 52 -27.144 -48.027 -49.496 385 HB2 ASP 52 HB2 ASP 52 -29.402 -46.987 -51.238 386 HB3 ASP 52 HB3 ASP 52 -28.923 -48.681 -51.007 387 H GLY 53 H GLY 53 -25.917 -49.011 -50.993 388 HA2 GLY 53 HA2 GLY 53 -25.739 -48.527 -53.667 389 HA3 GLY 53 HA3 GLY 53 -24.573 -47.411 -52.919 390 H GLU 54 H GLU 54 -22.996 -48.703 -54.117 391 HA GLU 54 HA GLU 54 -22.446 -51.416 -53.509 392 HB2 GLU 54 HB2 GLU 54 -20.560 -49.346 -54.681 393 HB3 GLU 54 HB3 GLU 54 -20.402 -51.101 -54.698 394 HG2 GLU 54 HG2 GLU 54 -21.161 -50.641 -56.837 395 HG3 GLU 54 HG3 GLU 54 -22.636 -51.137 -55.993 396 H ASP 55 H ASP 55 -20.583 -52.247 -52.443 397 HA ASP 55 HA ASP 55 -20.207 -51.238 -49.854 398 HB2 ASP 55 HB2 ASP 55 -18.499 -53.234 -51.385 399 HB3 ASP 55 HB3 ASP 55 -18.483 -52.958 -49.633 400 H ASP 56 H ASP 56 -18.071 -51.044 -52.783 401 HA ASP 56 HA ASP 56 -16.521 -49.028 -51.289 402 HB2 ASP 56 HB2 ASP 56 -15.368 -51.116 -53.165 403 HB3 ASP 56 HB3 ASP 56 -14.500 -49.710 -52.516 404 H VAL 57 H VAL 57 -15.448 -47.508 -52.618 405 HA VAL 57 HA VAL 57 -17.084 -46.252 -54.518 406 HB VAL 57 HB VAL 57 -14.185 -45.851 -53.722 407 HG11 VAL 57 1HG1 VAL 57 -16.084 -44.069 -55.303 408 HG12 VAL 57 2HG1 VAL 57 -14.483 -43.586 -54.695 409 HG13 VAL 57 3HG1 VAL 57 -14.614 -44.858 -55.927 410 HG21 VAL 57 3HG2 VAL 57 -16.770 -44.464 -52.884 411 HG22 VAL 57 1HG2 VAL 57 -15.798 -45.562 -51.875 412 HG23 VAL 57 2HG2 VAL 57 -15.130 -43.994 -52.377 413 H PHE 58 H PHE 58 -14.218 -48.398 -54.791 414 HA PHE 58 HA PHE 58 -14.036 -47.995 -57.643 415 HB2 PHE 58 HB2 PHE 58 -12.617 -49.977 -55.844 416 HB3 PHE 58 HB3 PHE 58 -12.212 -49.589 -57.524 417 HD1 PHE 58 HD1 PHE 58 -12.148 -48.401 -54.031 418 HD2 PHE 58 HD2 PHE 58 -11.165 -47.451 -58.107 419 HE1 PHE 58 HE1 PHE 58 -10.751 -46.505 -53.252 420 HE2 PHE 58 HE2 PHE 58 -9.764 -45.558 -57.328 421 HZ PHE 58 HZ PHE 58 -9.563 -45.080 -54.901 422 H ASP 59 H ASP 59 -16.139 -49.970 -55.706 423 HA ASP 59 HA ASP 59 -16.125 -52.310 -57.295 424 HB2 ASP 59 HB2 ASP 59 -18.277 -51.170 -55.510 425 HB3 ASP 59 HB3 ASP 59 -18.372 -52.723 -56.357 426 HA PRO 60 HA PRO 60 -19.677 -50.591 -59.863 427 HB2 PRO 60 HB2 PRO 60 -20.048 -47.887 -60.221 428 HB3 PRO 60 HB3 PRO 60 -20.895 -48.865 -58.969 429 HG2 PRO 60 HG2 PRO 60 -18.383 -47.198 -58.656 430 HG3 PRO 60 HG3 PRO 60 -19.826 -47.231 -57.589 431 HD2 PRO 60 HD2 PRO 60 -17.583 -48.647 -56.986 432 HD3 PRO 60 HD3 PRO 60 -19.203 -49.339 -56.686 433 H ASP 61 H ASP 61 -19.400 -50.617 -62.006 434 HA ASP 61 HA ASP 61 -18.289 -50.782 -63.920 435 HB2 ASP 61 HB2 ASP 61 -17.406 -47.957 -63.344 436 HB3 ASP 61 HB3 ASP 61 -17.418 -48.783 -64.914 437 H LEU 62 H LEU 62 -16.934 -52.142 -61.884 438 HA LEU 62 HA LEU 62 -14.137 -51.398 -62.235 439 HB2 LEU 62 HB2 LEU 62 -14.854 -52.160 -59.996 440 HB3 LEU 62 HB3 LEU 62 -15.356 -53.708 -60.691 441 HG LEU 62 HG LEU 62 -13.012 -54.116 -61.443 442 HD11 LEU 62 1HD1 LEU 62 -12.454 -51.541 -59.903 443 HD12 LEU 62 2HD1 LEU 62 -11.213 -52.675 -60.481 444 HD13 LEU 62 3HD1 LEU 62 -12.217 -51.797 -61.649 445 HD21 LEU 62 3HD2 LEU 62 -13.329 -53.447 -58.485 446 HD22 LEU 62 1HD2 LEU 62 -13.829 -54.964 -59.270 447 HD23 LEU 62 2HD2 LEU 62 -12.105 -54.536 -59.183 448 H ASP 63 H ASP 63 -13.069 -52.159 -63.954 449 HA ASP 63 HA ASP 63 -14.159 -54.511 -65.344 450 HB2 ASP 63 HB2 ASP 63 -14.165 -52.509 -66.780 451 HB3 ASP 63 HB3 ASP 63 -12.470 -52.181 -66.376 452 H MET 64 H MET 64 -12.873 -56.280 -65.158 453 HA MET 64 HA MET 64 -10.046 -55.849 -64.461 454 HB2 MET 64 HB2 MET 64 -11.179 -56.874 -62.542 455 HB3 MET 64 HB3 MET 64 -11.816 -58.161 -63.590 456 HG2 MET 64 HG2 MET 64 -9.498 -58.808 -64.182 457 HG3 MET 64 HG3 MET 64 -8.873 -57.544 -63.118 458 HE1 MET 64 HE1 MET 64 -10.876 -57.751 -60.606 459 HE2 MET 64 HE2 MET 64 -9.888 -58.802 -59.568 460 HE3 MET 64 HE3 MET 64 -9.113 -57.521 -60.529 461 H GLU 65 H GLU 65 -8.744 -56.656 -66.071 462 HA GLU 65 HA GLU 65 -10.012 -58.352 -68.107 463 HB2 GLU 65 HB2 GLU 65 -9.149 -56.201 -68.991 464 HB3 GLU 65 HB3 GLU 65 -7.545 -56.575 -68.326 465 HG2 GLU 65 HG2 GLU 65 -7.434 -58.608 -69.739 466 HG3 GLU 65 HG3 GLU 65 -9.046 -58.245 -70.388 467 H VAL 66 H VAL 66 -9.180 -60.413 -68.302 468 HA VAL 66 HA VAL 66 -6.859 -61.065 -66.616 469 HB VAL 66 HB VAL 66 -8.965 -62.876 -67.816 470 HG11 VAL 66 1HG1 VAL 66 -6.563 -63.438 -66.023 471 HG12 VAL 66 2HG1 VAL 66 -7.825 -64.616 -66.452 472 HG13 VAL 66 3HG1 VAL 66 -6.758 -63.963 -67.712 473 HG21 VAL 66 3HG2 VAL 66 -8.369 -62.021 -64.950 474 HG22 VAL 66 1HG2 VAL 66 -9.781 -61.525 -65.913 475 HG23 VAL 66 2HG2 VAL 66 -9.582 -63.228 -65.440 476 H VAL 67 H VAL 67 -4.998 -61.368 -67.697 477 HA VAL 67 HA VAL 67 -4.711 -61.099 -70.499 478 HB VAL 67 HB VAL 67 -2.401 -61.463 -70.201 479 HG11 VAL 67 1HG1 VAL 67 -3.624 -59.650 -68.077 480 HG12 VAL 67 2HG1 VAL 67 -1.989 -59.508 -68.763 481 HG13 VAL 67 3HG1 VAL 67 -3.411 -59.240 -69.797 482 HG21 VAL 67 3HG2 VAL 67 -3.106 -61.988 -67.282 483 HG22 VAL 67 1HG2 VAL 67 -2.445 -63.176 -68.430 484 HG23 VAL 67 2HG2 VAL 67 -1.462 -61.783 -67.930 485 H PHE 68 H PHE 68 -4.793 -64.020 -68.419 486 HA PHE 68 HA PHE 68 -4.806 -66.197 -68.903 487 HB2 PHE 68 HB2 PHE 68 -6.879 -65.476 -70.086 488 HB3 PHE 68 HB3 PHE 68 -5.945 -65.290 -71.575 489 HD1 PHE 68 HD1 PHE 68 -6.589 -67.847 -68.890 490 HD2 PHE 68 HD2 PHE 68 -5.912 -67.084 -73.067 491 HE1 PHE 68 HE1 PHE 68 -6.937 -70.252 -69.387 492 HE2 PHE 68 HE2 PHE 68 -6.259 -69.488 -73.562 493 HZ PHE 68 HZ PHE 68 -6.772 -71.073 -71.722 494 H GLU 69 H GLU 69 -2.376 -64.899 -69.111 495 HA GLU 69 HA GLU 69 -0.282 -65.011 -69.807 496 HB2 GLU 69 HB2 GLU 69 -1.000 -67.842 -70.575 497 HB3 GLU 69 HB3 GLU 69 0.632 -67.177 -70.333 498 HG2 GLU 69 HG2 GLU 69 0.066 -66.636 -67.987 499 HG3 GLU 69 HG3 GLU 69 -1.561 -67.309 -68.221 500 H THR 70 H THR 70 -1.996 -63.716 -71.674 501 HA THR 70 HA THR 70 -0.620 -64.460 -74.166 502 HB THR 70 HB THR 70 -3.308 -63.121 -73.799 503 HG1 THR 70 HG1 THR 70 -3.271 -65.379 -73.410 504 HG21 THR 70 1HG2 THR 70 -1.755 -63.968 -76.283 505 HG22 THR 70 2HG2 THR 70 -3.420 -63.340 -76.270 506 HG23 THR 70 3HG2 THR 70 -2.074 -62.293 -75.770 507 H GLN 71 H GLN 71 0.629 -62.758 -74.977 508 HA GLN 71 HA GLN 71 1.031 -60.473 -73.275 509 HB2 GLN 71 HB2 GLN 71 2.852 -61.719 -74.555 510 HB3 GLN 71 HB3 GLN 71 2.244 -60.916 -76.012 511 HG2 GLN 71 HG2 GLN 71 3.167 -59.518 -73.460 512 HG3 GLN 71 HG3 GLN 71 4.153 -59.722 -74.917 513 HE21 GLN 71 2HE2 GLN 71 2.596 -57.414 -73.315 514 HE22 GLN 71 1HE2 GLN 71 1.979 -56.435 -74.628 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -25.087 -45.919 -24.569 2 H2 GLY 1 H2 GLY 1 -26.615 -46.389 -25.130 3 H3 GLY 1 H3 GLY 1 -25.892 -44.989 -25.739 4 HA2 GLY 1 HA3 GLY 1 -27.023 -45.426 -23.047 5 HA3 GLY 1 HA2 GLY 1 -25.931 -44.072 -23.416 6 H SER 2 H SER 2 -29.101 -45.150 -23.345 7 HA SER 2 HA SER 2 -30.291 -43.893 -25.580 8 HB2 SER 2 HB2 SER 2 -32.381 -44.172 -24.304 9 HB3 SER 2 HB3 SER 2 -31.423 -45.673 -24.318 10 HG SER 2 HG SER 2 -32.221 -45.147 -22.238 11 H THR 3 H THR 3 -29.604 -42.887 -22.199 12 HA THR 3 HA THR 3 -30.701 -40.242 -22.625 13 HB THR 3 HB THR 3 -31.009 -41.411 -20.476 14 HG1 THR 3 HG1 THR 3 -30.994 -39.128 -20.666 15 HG21 THR 3 1HG2 THR 3 -28.006 -40.970 -20.233 16 HG22 THR 3 2HG2 THR 3 -29.088 -41.525 -18.932 17 HG23 THR 3 3HG2 THR 3 -28.821 -42.548 -20.363 18 H ALA 4 H ALA 4 -29.208 -38.319 -21.964 19 HA ALA 4 HA ALA 4 -26.890 -38.533 -23.692 20 HB1 ALA 4 HB1 ALA 4 -27.883 -36.165 -22.068 21 HB2 ALA 4 HB2 ALA 4 -26.552 -36.154 -23.250 22 HB3 ALA 4 HB3 ALA 4 -28.219 -36.464 -23.790 23 H MET 5 H MET 5 -25.064 -39.355 -22.900 24 HA MET 5 HA MET 5 -24.544 -39.151 -20.025 25 HB2 MET 5 HB2 MET 5 -23.213 -40.859 -22.194 26 HB3 MET 5 HB3 MET 5 -22.769 -40.849 -20.471 27 HG2 MET 5 HG2 MET 5 -25.476 -41.653 -21.613 28 HG3 MET 5 HG3 MET 5 -24.233 -42.762 -20.986 29 HE1 MET 5 HE1 MET 5 -23.193 -41.116 -18.455 30 HE2 MET 5 HE2 MET 5 -24.183 -41.867 -17.182 31 HE3 MET 5 HE3 MET 5 -23.477 -42.873 -18.467 32 H ALA 6 H ALA 6 -23.442 -37.187 -19.782 33 HA ALA 6 HA ALA 6 -22.177 -35.381 -20.153 34 HB1 ALA 6 HB1 ALA 6 -20.183 -37.379 -21.189 35 HB2 ALA 6 HB2 ALA 6 -19.864 -35.686 -20.745 36 HB3 ALA 6 HB3 ALA 6 -20.395 -36.846 -19.504 37 H THR 7 H THR 7 -24.135 -35.515 -21.952 38 HA THR 7 HA THR 7 -24.935 -34.533 -23.758 39 HB THR 7 HB THR 7 -23.898 -32.931 -25.037 40 HG1 THR 7 HG1 THR 7 -21.825 -33.881 -25.171 41 HG21 THR 7 1HG2 THR 7 -23.139 -32.712 -22.096 42 HG22 THR 7 2HG2 THR 7 -23.308 -31.353 -23.232 43 HG23 THR 7 3HG2 THR 7 -24.730 -32.328 -22.793 44 H THR 8 H THR 8 -21.776 -36.052 -24.782 45 HA THR 8 HA THR 8 -23.413 -37.028 -27.049 46 HB THR 8 HB THR 8 -20.446 -36.480 -27.024 47 HG1 THR 8 HG1 THR 8 -21.112 -34.770 -28.411 48 HG21 THR 8 1HG2 THR 8 -22.396 -37.230 -29.244 49 HG22 THR 8 2HG2 THR 8 -20.669 -36.858 -29.455 50 HG23 THR 8 3HG2 THR 8 -21.162 -38.302 -28.540 51 H MET 9 H MET 9 -23.336 -39.145 -27.561 52 HA MET 9 HA MET 9 -22.044 -40.957 -25.651 53 HB2 MET 9 HB2 MET 9 -24.577 -40.984 -25.889 54 HB3 MET 9 HB3 MET 9 -24.334 -41.577 -27.549 55 HG2 MET 9 HG2 MET 9 -24.755 -43.429 -26.004 56 HG3 MET 9 HG3 MET 9 -23.106 -43.525 -26.670 57 HE1 MET 9 HE1 MET 9 -21.916 -44.998 -25.128 58 HE2 MET 9 HE2 MET 9 -22.204 -45.068 -23.374 59 HE3 MET 9 HE3 MET 9 -23.530 -45.419 -24.508 60 H GLU 10 H GLU 10 -21.258 -42.898 -26.298 61 HA GLU 10 HA GLU 10 -19.997 -44.379 -27.315 62 HB2 GLU 10 HB2 GLU 10 -20.699 -43.117 -29.951 63 HB3 GLU 10 HB3 GLU 10 -19.891 -44.679 -29.676 64 HG2 GLU 10 HG2 GLU 10 -21.889 -45.464 -28.417 65 HG3 GLU 10 HG3 GLU 10 -22.697 -43.917 -28.766 66 H GLN 11 H GLN 11 -19.118 -41.130 -27.237 67 HA GLN 11 HA GLN 11 -16.469 -41.839 -28.268 68 HB2 GLN 11 HB2 GLN 11 -16.017 -39.474 -28.335 69 HB3 GLN 11 HB3 GLN 11 -17.377 -39.972 -29.369 70 HG2 GLN 11 HG2 GLN 11 -18.946 -39.134 -27.656 71 HG3 GLN 11 HG3 GLN 11 -17.558 -38.569 -26.696 72 HE21 GLN 11 1HE2 GLN 11 -16.830 -36.518 -27.084 73 HE22 GLN 11 2HE2 GLN 11 -17.165 -35.590 -28.530 74 H GLU 12 H GLU 12 -17.968 -42.358 -25.476 75 HA GLU 12 HA GLU 12 -17.380 -42.903 -23.425 76 HB2 GLU 12 HB2 GLU 12 -14.603 -43.089 -24.437 77 HB3 GLU 12 HB3 GLU 12 -15.205 -43.616 -22.848 78 HG2 GLU 12 HG2 GLU 12 -16.884 -45.060 -24.034 79 HG3 GLU 12 HG3 GLU 12 -16.105 -44.620 -25.573 80 H ILE 13 H ILE 13 -16.109 -42.392 -21.300 81 HA ILE 13 HA ILE 13 -15.717 -39.467 -21.278 82 HB ILE 13 HB ILE 13 -17.459 -41.044 -19.296 83 HG12 ILE 13 2HG1 ILE 13 -18.357 -38.956 -21.325 84 HG13 ILE 13 3HG1 ILE 13 -18.521 -40.711 -21.568 85 HG21 ILE 13 1HG2 ILE 13 -16.875 -38.060 -19.583 86 HG22 ILE 13 2HG2 ILE 13 -17.972 -38.791 -18.388 87 HG23 ILE 13 3HG2 ILE 13 -16.226 -39.128 -18.316 88 HD11 ILE 13 3HD1 ILE 13 -19.923 -40.861 -19.545 89 HD12 ILE 13 1HD1 ILE 13 -19.759 -39.105 -19.302 90 HD13 ILE 13 2HD1 ILE 13 -20.614 -39.729 -20.734 91 H CYS 14 H CYS 14 -13.791 -39.073 -20.010 92 HA CYS 14 HA CYS 14 -13.218 -40.931 -17.788 93 HB2 CYS 14 HB2 CYS 14 -11.594 -41.533 -19.429 94 HB3 CYS 14 HB3 CYS 14 -11.097 -39.832 -19.607 95 HG CYS 14 HG CYS 14 -9.335 -41.127 -18.164 96 H ALA 15 H ALA 15 -10.818 -38.445 -18.001 97 HA ALA 15 HA ALA 15 -12.170 -36.901 -15.952 98 HB1 ALA 15 HB1 ALA 15 -9.280 -36.952 -16.848 99 HB2 ALA 15 HB2 ALA 15 -9.954 -35.982 -15.518 100 HB3 ALA 15 HB3 ALA 15 -9.957 -37.759 -15.414 101 H HIS 16 H HIS 16 -9.874 -35.666 -18.661 102 HA HIS 16 HA HIS 16 -12.060 -33.778 -19.226 103 HB2 HIS 16 HB2 HIS 16 -10.816 -31.774 -18.991 104 HB3 HIS 16 HB3 HIS 16 -11.082 -32.602 -17.439 105 HD1 HIS 16 HD1 HIS 16 -9.009 -33.479 -16.238 106 HD2 HIS 16 HD2 HIS 16 -8.224 -31.346 -19.773 107 HE1 HIS 16 HE1 HIS 16 -6.532 -32.760 -16.160 108 H SER 17 H SER 17 -12.594 -34.243 -21.130 109 HA SER 17 HA SER 17 -12.570 -34.271 -23.340 110 HB2 SER 17 HB2 SER 17 -11.246 -31.623 -22.762 111 HB3 SER 17 HB3 SER 17 -12.067 -32.083 -24.272 112 HG SER 17 HG SER 17 -13.438 -30.963 -22.813 113 H MET 18 H MET 18 -10.843 -36.251 -23.225 114 HA MET 18 HA MET 18 -9.180 -35.451 -25.513 115 HB2 MET 18 HB2 MET 18 -7.827 -36.314 -23.094 116 HB3 MET 18 HB3 MET 18 -7.283 -36.908 -24.681 117 HG2 MET 18 HG2 MET 18 -6.042 -34.955 -24.293 118 HG3 MET 18 HG3 MET 18 -7.323 -34.457 -25.424 119 HE1 MET 18 HE1 MET 18 -6.756 -32.012 -25.091 120 HE2 MET 18 HE2 MET 18 -6.608 -31.225 -23.502 121 HE3 MET 18 HE3 MET 18 -5.442 -32.480 -23.986 122 H THR 19 H THR 19 -8.255 -38.583 -24.446 123 HA THR 19 HA THR 19 -9.865 -39.707 -26.586 124 HB THR 19 HB THR 19 -6.829 -39.941 -26.615 125 HG1 THR 19 HG1 THR 19 -7.566 -37.813 -27.126 126 HG21 THR 19 1HG2 THR 19 -8.909 -40.664 -28.699 127 HG22 THR 19 2HG2 THR 19 -7.144 -40.820 -28.868 128 HG23 THR 19 3HG2 THR 19 -8.014 -41.810 -27.673 129 H PHE 20 H PHE 20 -9.626 -42.111 -26.612 130 HA PHE 20 HA PHE 20 -9.802 -43.308 -24.130 131 HB2 PHE 20 HB2 PHE 20 -10.720 -44.245 -26.264 132 HB3 PHE 20 HB3 PHE 20 -9.067 -44.480 -26.879 133 HD1 PHE 20 HD2 PHE 20 -7.663 -46.281 -26.063 134 HD2 PHE 20 HD1 PHE 20 -11.663 -45.721 -24.599 135 HE1 PHE 20 HE2 PHE 20 -7.638 -48.572 -25.110 136 HE2 PHE 20 HE1 PHE 20 -11.641 -48.009 -23.653 137 HZ PHE 20 HZ PHE 20 -9.632 -49.439 -23.912 138 H GLU 21 H GLU 21 -7.036 -43.208 -26.484 139 HA GLU 21 HA GLU 21 -5.249 -44.754 -24.978 140 HB2 GLU 21 HB2 GLU 21 -4.660 -42.585 -27.023 141 HB3 GLU 21 HB3 GLU 21 -3.527 -43.824 -26.434 142 HG2 GLU 21 HG2 GLU 21 -5.000 -45.596 -27.331 143 HG3 GLU 21 HG3 GLU 21 -6.134 -44.358 -27.919 144 H GLU 22 H GLU 22 -5.991 -41.282 -25.117 145 HA GLU 22 HA GLU 22 -3.861 -40.414 -23.449 146 HB2 GLU 22 HB2 GLU 22 -6.443 -39.073 -24.328 147 HB3 GLU 22 HB3 GLU 22 -5.105 -38.278 -23.466 148 HG2 GLU 22 HG2 GLU 22 -4.813 -39.657 -26.156 149 HG3 GLU 22 HG3 GLU 22 -5.094 -37.913 -25.948 150 H CYS 23 H CYS 23 -6.962 -41.901 -22.672 151 HA CYS 23 HA CYS 23 -7.676 -40.574 -20.398 152 HB2 CYS 23 HB2 CYS 23 -9.097 -42.268 -21.282 153 HB3 CYS 23 HB3 CYS 23 -7.850 -43.518 -21.063 154 HG CYS 23 HG CYS 23 -9.783 -43.891 -19.409 155 HA PRO 24 HA PRO 24 -5.020 -43.161 -17.465 156 HB2 PRO 24 HB2 PRO 24 -2.540 -43.995 -18.232 157 HB3 PRO 24 HB3 PRO 24 -3.979 -45.042 -18.215 158 HG2 PRO 24 HG2 PRO 24 -2.743 -43.521 -20.558 159 HG3 PRO 24 HG3 PRO 24 -3.375 -45.185 -20.536 160 HD2 PRO 24 HD2 PRO 24 -4.881 -43.138 -21.517 161 HD3 PRO 24 HD3 PRO 24 -5.625 -44.479 -20.615 162 H LYS 25 H LYS 25 -3.580 -40.969 -19.921 163 HA LYS 25 HA LYS 25 -1.624 -39.834 -18.243 164 HB2 LYS 25 HB2 LYS 25 -3.135 -38.470 -20.482 165 HB3 LYS 25 HB3 LYS 25 -1.660 -37.886 -19.675 166 HG2 LYS 25 HG2 LYS 25 -0.490 -39.985 -20.389 167 HG3 LYS 25 HG3 LYS 25 -1.952 -40.456 -21.288 168 HD2 LYS 25 HD2 LYS 25 -1.793 -38.374 -22.627 169 HD3 LYS 25 HD3 LYS 25 -0.322 -37.918 -21.735 170 HE2 LYS 25 HE2 LYS 25 0.277 -38.947 -23.880 171 HE3 LYS 25 HE3 LYS 25 0.781 -40.002 -22.538 172 HZ1 LYS 25 HZ1 LYS 25 -1.178 -41.294 -22.900 173 HZ2 LYS 25 HZ2 LYS 25 -1.650 -40.317 -24.143 174 HZ3 LYS 25 HZ3 LYS 25 -0.274 -41.217 -24.278 175 H CYS 26 H CYS 26 -5.139 -39.035 -18.925 176 HA CYS 26 HA CYS 26 -4.861 -37.473 -16.426 177 HB2 CYS 26 HB2 CYS 26 -5.005 -35.778 -17.912 178 HB3 CYS 26 HB3 CYS 26 -6.449 -36.478 -18.680 179 HG CYS 26 HG CYS 26 -7.129 -34.472 -17.169 180 H SER 27 H SER 27 -5.238 -38.462 -15.065 181 HA SER 27 HA SER 27 -7.948 -39.332 -14.468 182 HB2 SER 27 HB2 SER 27 -5.280 -40.549 -13.553 183 HB3 SER 27 HB3 SER 27 -6.884 -41.009 -12.936 184 HG SER 27 HG SER 27 -6.005 -41.201 -15.633 185 H ALA 28 H ALA 28 -6.377 -36.768 -14.603 186 HA ALA 28 HA ALA 28 -5.023 -36.079 -12.236 187 HB1 ALA 28 HB1 ALA 28 -6.018 -34.384 -14.540 188 HB2 ALA 28 HB2 ALA 28 -4.944 -33.851 -13.225 189 HB3 ALA 28 HB3 ALA 28 -4.394 -35.094 -14.373 190 H LEU 29 H LEU 29 -5.464 -34.072 -11.175 191 HA LEU 29 HA LEU 29 -7.601 -34.318 -9.485 192 HB2 LEU 29 HB2 LEU 29 -5.969 -31.821 -10.131 193 HB3 LEU 29 HB3 LEU 29 -6.937 -32.101 -8.664 194 HG LEU 29 HG LEU 29 -4.526 -33.749 -9.525 195 HD11 LEU 29 1HD1 LEU 29 -4.899 -31.668 -7.323 196 HD12 LEU 29 2HD1 LEU 29 -3.430 -32.635 -7.596 197 HD13 LEU 29 3HD1 LEU 29 -3.950 -31.445 -8.812 198 HD21 LEU 29 3HD2 LEU 29 -6.175 -33.783 -6.965 199 HD22 LEU 29 1HD2 LEU 29 -6.176 -35.045 -8.221 200 HD23 LEU 29 2HD2 LEU 29 -4.702 -34.734 -7.273 201 H GLN 30 H GLN 30 -7.393 -32.271 -12.502 202 HA GLN 30 HA GLN 30 -9.607 -30.678 -11.792 203 HB2 GLN 30 HB2 GLN 30 -8.621 -31.376 -14.569 204 HB3 GLN 30 HB3 GLN 30 -9.684 -30.026 -14.102 205 HG2 GLN 30 HG2 GLN 30 -7.891 -29.128 -12.644 206 HG3 GLN 30 HG3 GLN 30 -6.814 -30.436 -13.173 207 HE21 GLN 30 1HE2 GLN 30 -6.201 -27.680 -13.488 208 HE22 GLN 30 2HE2 GLN 30 -6.172 -27.313 -15.199 209 H TYR 31 H TYR 31 -9.712 -33.677 -13.883 210 HA TYR 31 HA TYR 31 -11.483 -34.849 -14.640 211 HB2 TYR 31 HB2 TYR 31 -12.742 -34.262 -11.957 212 HB3 TYR 31 HB3 TYR 31 -13.277 -35.466 -13.136 213 HD1 TYR 31 HD2 TYR 31 -11.663 -37.332 -13.794 214 HD2 TYR 31 HD1 TYR 31 -11.123 -34.832 -10.339 215 HE1 TYR 31 HE2 TYR 31 -10.194 -39.057 -12.787 216 HE2 TYR 31 HE1 TYR 31 -9.658 -36.550 -9.316 217 HH TYR 31 HH TYR 31 -8.923 -39.652 -10.967 218 H ARG 32 H ARG 32 -11.554 -32.156 -15.666 219 HA ARG 32 HA ARG 32 -13.999 -30.862 -15.187 220 HB2 ARG 32 HB2 ARG 32 -12.339 -30.748 -17.719 221 HB3 ARG 32 HB3 ARG 32 -13.565 -29.587 -17.177 222 HG2 ARG 32 HG2 ARG 32 -12.202 -29.124 -15.143 223 HG3 ARG 32 HG3 ARG 32 -10.953 -30.236 -15.758 224 HD2 ARG 32 HD2 ARG 32 -10.700 -28.849 -17.779 225 HD3 ARG 32 HD3 ARG 32 -11.954 -27.742 -17.191 226 HE ARG 32 HE ARG 32 -9.173 -27.882 -16.342 227 HH11 ARG 32 1HH1 ARG 32 -12.453 -26.927 -15.390 228 HH12 ARG 32 2HH1 ARG 32 -11.904 -25.747 -14.220 229 HH21 ARG 32 1HH2 ARG 32 -8.470 -26.329 -14.810 230 HH22 ARG 32 2HH2 ARG 32 -9.638 -25.406 -13.892 231 H ASN 33 H ASN 33 -13.391 -33.150 -17.983 232 HA ASN 33 HA ASN 33 -16.332 -33.219 -18.194 233 HB2 ASN 33 HB2 ASN 33 -14.552 -32.878 -20.617 234 HB3 ASN 33 HB3 ASN 33 -16.289 -33.247 -20.625 235 HD21 ASN 33 1HD2 ASN 33 -14.000 -30.766 -20.758 236 HD22 ASN 33 2HD2 ASN 33 -15.031 -29.417 -20.336 237 H GLY 34 H GLY 34 -13.715 -34.640 -20.254 238 HA2 GLY 34 HA2 GLY 34 -13.823 -37.168 -19.005 239 HA3 GLY 34 HA3 GLY 34 -14.822 -37.129 -20.476 240 H PHE 35 H PHE 35 -11.698 -37.790 -19.375 241 HA PHE 35 HA PHE 35 -10.160 -36.589 -21.433 242 HB2 PHE 35 HB2 PHE 35 -9.507 -37.511 -18.992 243 HB3 PHE 35 HB3 PHE 35 -9.036 -38.901 -19.981 244 HD1 PHE 35 HD1 PHE 35 -8.806 -35.161 -19.863 245 HD2 PHE 35 HD2 PHE 35 -6.916 -38.813 -21.027 246 HE1 PHE 35 HE1 PHE 35 -6.801 -33.880 -20.533 247 HE2 PHE 35 HE2 PHE 35 -4.853 -37.537 -21.636 248 HZ PHE 35 HZ PHE 35 -4.814 -35.077 -21.423 249 H TYR 36 H TYR 36 -12.360 -39.306 -21.446 250 HA TYR 36 HA TYR 36 -10.852 -40.562 -23.617 251 HB2 TYR 36 HB2 TYR 36 -13.606 -41.293 -22.555 252 HB3 TYR 36 HB3 TYR 36 -12.813 -42.031 -23.921 253 HD1 TYR 36 HD2 TYR 36 -11.372 -43.869 -23.694 254 HD2 TYR 36 HD1 TYR 36 -13.227 -42.067 -20.363 255 HE1 TYR 36 HE2 TYR 36 -10.537 -45.734 -22.269 256 HE2 TYR 36 HE1 TYR 36 -12.589 -43.975 -18.921 257 HH TYR 36 HH TYR 36 -11.401 -45.942 -18.792 258 H LEU 37 H LEU 37 -13.392 -38.221 -22.740 259 HA LEU 37 HA LEU 37 -15.376 -38.697 -24.621 260 HB2 LEU 37 HB2 LEU 37 -15.633 -37.430 -22.504 261 HB3 LEU 37 HB3 LEU 37 -14.694 -36.118 -23.221 262 HG LEU 37 HG LEU 37 -16.433 -35.909 -25.022 263 HD11 LEU 37 1HD1 LEU 37 -18.044 -37.692 -23.142 264 HD12 LEU 37 2HD1 LEU 37 -18.641 -36.894 -24.615 265 HD13 LEU 37 3HD1 LEU 37 -17.440 -38.199 -24.730 266 HD21 LEU 37 3HD2 LEU 37 -17.315 -35.593 -22.120 267 HD22 LEU 37 1HD2 LEU 37 -16.322 -34.436 -23.039 268 HD23 LEU 37 2HD2 LEU 37 -18.009 -34.734 -23.515 269 H LEU 38 H LEU 38 -12.710 -36.267 -25.211 270 HA LEU 38 HA LEU 38 -14.164 -35.294 -27.417 271 HB2 LEU 38 HB2 LEU 38 -12.267 -34.104 -26.404 272 HB3 LEU 38 HB3 LEU 38 -11.159 -35.322 -27.031 273 HG LEU 38 HG LEU 38 -11.872 -34.771 -29.354 274 HD11 LEU 38 1HD1 LEU 38 -13.415 -32.547 -27.945 275 HD12 LEU 38 2HD1 LEU 38 -13.118 -32.636 -29.696 276 HD13 LEU 38 3HD1 LEU 38 -14.120 -33.870 -28.908 277 HD21 LEU 38 3HD2 LEU 38 -10.902 -32.439 -27.649 278 HD22 LEU 38 1HD2 LEU 38 -9.887 -33.744 -28.308 279 HD23 LEU 38 2HD2 LEU 38 -10.688 -32.601 -29.409 280 H LYS 39 H LYS 39 -11.751 -38.043 -27.354 281 HA LYS 39 HA LYS 39 -12.829 -38.699 -30.002 282 HB2 LYS 39 HB2 LYS 39 -9.876 -38.788 -29.253 283 HB3 LYS 39 HB3 LYS 39 -10.595 -39.488 -30.720 284 HG2 LYS 39 HG2 LYS 39 -11.356 -37.225 -31.406 285 HG3 LYS 39 HG3 LYS 39 -10.571 -36.539 -29.959 286 HD2 LYS 39 HD2 LYS 39 -8.392 -37.434 -30.708 287 HD3 LYS 39 HD3 LYS 39 -9.169 -38.148 -32.140 288 HE2 LYS 39 HE2 LYS 39 -9.871 -35.891 -32.879 289 HE3 LYS 39 HE3 LYS 39 -9.071 -35.182 -31.462 290 HZ1 LYS 39 HZ1 LYS 39 -7.007 -36.069 -32.263 291 HZ2 LYS 39 HZ2 LYS 39 -7.691 -35.090 -33.401 292 HZ3 LYS 39 HZ3 LYS 39 -7.751 -36.728 -33.579 293 H TYR 40 H TYR 40 -13.424 -40.738 -30.198 294 HA TYR 40 HA TYR 40 -12.149 -42.734 -28.444 295 HB2 TYR 40 HB2 TYR 40 -14.547 -42.539 -27.965 296 HB3 TYR 40 HB3 TYR 40 -14.924 -42.859 -29.665 297 HD1 TYR 40 HD1 TYR 40 -12.648 -44.392 -27.082 298 HD2 TYR 40 HD2 TYR 40 -15.797 -45.007 -29.939 299 HE1 TYR 40 HE1 TYR 40 -12.581 -46.829 -26.628 300 HE2 TYR 40 HE2 TYR 40 -15.723 -47.440 -29.519 301 HH TYR 40 HH TYR 40 -14.728 -49.141 -28.341 302 H ASP 41 H ASP 41 -12.150 -41.271 -31.495 303 HA ASP 41 HA ASP 41 -11.559 -41.755 -33.570 304 HB2 ASP 41 HB2 ASP 41 -10.160 -44.182 -32.420 305 HB3 ASP 41 HB3 ASP 41 -9.898 -43.445 -34.015 306 H GLU 42 H GLU 42 -14.134 -42.441 -32.772 307 HA GLU 42 HA GLU 42 -14.741 -45.055 -33.881 308 HB2 GLU 42 HB2 GLU 42 -15.780 -44.212 -31.719 309 HB3 GLU 42 HB3 GLU 42 -16.563 -42.942 -32.656 310 HG2 GLU 42 HG2 GLU 42 -18.158 -44.700 -32.330 311 HG3 GLU 42 HG3 GLU 42 -17.691 -44.713 -34.035 312 H GLU 43 H GLU 43 -15.969 -45.279 -35.759 313 HA GLU 43 HA GLU 43 -15.826 -43.077 -37.608 314 HB2 GLU 43 HB2 GLU 43 -15.412 -45.369 -38.391 315 HB3 GLU 43 HB3 GLU 43 -17.032 -45.862 -37.850 316 HG2 GLU 43 HG2 GLU 43 -18.053 -44.245 -39.421 317 HG3 GLU 43 HG3 GLU 43 -16.438 -43.736 -39.950 318 H TRP 44 H TRP 44 -17.456 -41.619 -37.885 319 HA TRP 44 HA TRP 44 -20.008 -42.111 -36.519 320 HB2 TRP 44 HB2 TRP 44 -18.563 -39.537 -37.108 321 HB3 TRP 44 HB3 TRP 44 -20.287 -39.617 -36.747 322 HD1 TRP 44 HD1 TRP 44 -16.894 -40.184 -35.063 323 HE1 TRP 44 HE1 TRP 44 -17.191 -40.092 -32.532 324 HE3 TRP 44 HE3 TRP 44 -21.992 -39.950 -34.882 325 HZ2 TRP 44 HZ2 TRP 44 -19.395 -39.878 -30.643 326 HZ3 TRP 44 HZ3 TRP 44 -23.161 -39.782 -32.713 327 HH2 TRP 44 HH2 TRP 44 -21.885 -39.726 -30.601 328 H PTR 45 H PTR 45 -21.889 -41.824 -37.387 329 HA PTR 45 HA PTR 45 -23.471 -42.034 -38.919 330 HB2 PTR 45 HB2 PTR 45 -22.178 -39.607 -40.111 331 HB3 PTR 45 HB3 PTR 45 -23.817 -40.204 -40.406 332 HD1 PTR 45 HD1 PTR 45 -21.659 -38.345 -38.139 333 HD2 PTR 45 HD2 PTR 45 -25.497 -40.235 -38.558 334 HE1 PTR 45 HE1 PTR 45 -22.491 -37.072 -36.180 335 HE2 PTR 45 HE2 PTR 45 -26.344 -38.965 -36.605 336 HA PRO 46 HA PRO 46 -21.293 -44.128 -42.307 337 HB2 PRO 46 HB2 PRO 46 -21.163 -46.722 -41.545 338 HB3 PRO 46 HB3 PRO 46 -19.965 -45.523 -40.946 339 HG2 PRO 46 HG2 PRO 46 -22.500 -46.467 -39.554 340 HG3 PRO 46 HG3 PRO 46 -20.835 -46.403 -38.881 341 HD2 PRO 46 HD2 PRO 46 -22.655 -44.388 -38.482 342 HD3 PRO 46 HD3 PRO 46 -20.905 -44.058 -38.692 343 H GLU 47 H GLU 47 -23.352 -43.259 -43.086 344 HA GLU 47 HA GLU 47 -25.849 -44.425 -42.688 345 HB2 GLU 47 HB2 GLU 47 -24.806 -42.911 -45.113 346 HB3 GLU 47 HB3 GLU 47 -26.512 -43.276 -44.762 347 HG2 GLU 47 HG2 GLU 47 -26.339 -42.016 -42.634 348 HG3 GLU 47 HG3 GLU 47 -24.649 -41.622 -43.007 349 H GLU 48 H GLU 48 -23.287 -45.076 -45.130 350 HA GLU 48 HA GLU 48 -24.739 -46.807 -46.768 351 HB2 GLU 48 HB2 GLU 48 -21.756 -46.727 -46.123 352 HB3 GLU 48 HB3 GLU 48 -22.505 -47.637 -47.454 353 HG2 GLU 48 HG2 GLU 48 -23.451 -45.481 -48.326 354 HG3 GLU 48 HG3 GLU 48 -22.520 -44.617 -47.086 355 H LEU 49 H LEU 49 -22.646 -47.423 -43.852 356 HA LEU 49 HA LEU 49 -22.851 -50.241 -43.963 357 HB2 LEU 49 HB2 LEU 49 -22.269 -48.543 -41.541 358 HB3 LEU 49 HB3 LEU 49 -21.990 -50.281 -41.736 359 HG LEU 49 HG LEU 49 -20.638 -48.053 -43.319 360 HD11 LEU 49 1HD1 LEU 49 -19.555 -50.066 -41.302 361 HD12 LEU 49 2HD1 LEU 49 -18.610 -48.825 -42.157 362 HD13 LEU 49 3HD1 LEU 49 -19.846 -48.345 -40.974 363 HD21 LEU 49 3HD2 LEU 49 -20.316 -51.081 -43.478 364 HD22 LEU 49 1HD2 LEU 49 -20.937 -50.013 -44.762 365 HD23 LEU 49 2HD2 LEU 49 -19.241 -49.897 -44.257 366 H LEU 50 H LEU 50 -24.809 -47.732 -42.279 367 HA LEU 50 HA LEU 50 -26.379 -49.479 -40.762 368 HB2 LEU 50 HB2 LEU 50 -26.999 -46.736 -41.888 369 HB3 LEU 50 HB3 LEU 50 -28.058 -47.612 -40.768 370 HG LEU 50 HG LEU 50 -25.143 -46.982 -40.147 371 HD11 LEU 50 1HD1 LEU 50 -27.665 -45.472 -39.348 372 HD12 LEU 50 2HD1 LEU 50 -26.021 -45.140 -38.755 373 HD13 LEU 50 3HD1 LEU 50 -26.413 -44.889 -40.470 374 HD21 LEU 50 3HD2 LEU 50 -27.508 -47.817 -38.418 375 HD22 LEU 50 1HD2 LEU 50 -26.106 -48.831 -38.835 376 HD23 LEU 50 2HD2 LEU 50 -25.889 -47.395 -37.816 377 H TPO 51 H TPO 51 -26.818 -48.191 -44.128 378 HA TPO 51 HA TPO 51 -29.339 -49.472 -44.496 379 HB TPO 51 HB TPO 51 -27.347 -48.373 -46.491 380 HG21 TPO 51 1HG2 TPO 51 -30.313 -49.051 -46.709 381 HG22 TPO 51 2HG2 TPO 51 -29.354 -48.215 -47.954 382 HG23 TPO 51 3HG2 TPO 51 -28.979 -49.898 -47.529 383 H ASP 52 H ASP 52 -29.798 -51.512 -45.332 384 HA ASP 52 HA ASP 52 -27.722 -53.465 -45.303 385 HB2 ASP 52 HB2 ASP 52 -30.543 -53.757 -46.360 386 HB3 ASP 52 HB3 ASP 52 -29.376 -55.060 -46.058 387 H GLY 53 H GLY 53 -26.574 -54.399 -46.875 388 HA2 GLY 53 HA2 GLY 53 -27.146 -54.602 -49.532 389 HA3 GLY 53 HA3 GLY 53 -26.358 -53.017 -49.354 390 H GLU 54 H GLU 54 -24.620 -53.870 -50.651 391 HA GLU 54 HA GLU 54 -23.020 -56.076 -49.921 392 HB2 GLU 54 HB2 GLU 54 -22.439 -53.647 -51.650 393 HB3 GLU 54 HB3 GLU 54 -21.345 -55.028 -51.458 394 HG2 GLU 54 HG2 GLU 54 -24.196 -55.227 -52.503 395 HG3 GLU 54 HG3 GLU 54 -22.744 -55.159 -53.519 396 H ASP 55 H ASP 55 -20.889 -56.114 -49.117 397 HA ASP 55 HA ASP 55 -20.443 -54.624 -46.788 398 HB2 ASP 55 HB2 ASP 55 -18.435 -56.235 -48.405 399 HB3 ASP 55 HB3 ASP 55 -18.270 -55.717 -46.716 400 H ASP 56 H ASP 56 -18.982 -54.289 -50.097 401 HA ASP 56 HA ASP 56 -17.839 -51.746 -49.120 402 HB2 ASP 56 HB2 ASP 56 -16.641 -53.652 -51.181 403 HB3 ASP 56 HB3 ASP 56 -16.035 -52.030 -50.798 404 H VAL 57 H VAL 57 -17.676 -50.107 -50.767 405 HA VAL 57 HA VAL 57 -19.947 -49.763 -52.402 406 HB VAL 57 HB VAL 57 -17.317 -48.264 -52.296 407 HG11 VAL 57 1HG1 VAL 57 -20.042 -47.529 -53.453 408 HG12 VAL 57 2HG1 VAL 57 -18.656 -46.424 -53.300 409 HG13 VAL 57 3HG1 VAL 57 -18.554 -47.829 -54.383 410 HG21 VAL 57 3HG2 VAL 57 -20.006 -47.791 -50.933 411 HG22 VAL 57 1HG2 VAL 57 -18.503 -48.299 -50.129 412 HG23 VAL 57 2HG2 VAL 57 -18.611 -46.691 -50.874 413 H PHE 58 H PHE 58 -16.602 -50.773 -52.980 414 HA PHE 58 HA PHE 58 -16.545 -50.788 -55.773 415 HB2 PHE 58 HB2 PHE 58 -14.993 -52.489 -53.789 416 HB3 PHE 58 HB3 PHE 58 -14.594 -52.242 -55.494 417 HD1 PHE 58 HD2 PHE 58 -13.694 -50.100 -56.284 418 HD2 PHE 58 HD1 PHE 58 -14.615 -50.738 -52.134 419 HE1 PHE 58 HE2 PHE 58 -12.391 -48.076 -55.682 420 HE2 PHE 58 HE1 PHE 58 -13.316 -48.713 -51.534 421 HZ PHE 58 HZ PHE 58 -12.203 -47.382 -53.308 422 H ASP 59 H ASP 59 -17.686 -53.231 -53.390 423 HA ASP 59 HA ASP 59 -17.524 -55.482 -55.017 424 HB2 ASP 59 HB2 ASP 59 -19.388 -54.897 -52.712 425 HB3 ASP 59 HB3 ASP 59 -19.222 -56.465 -53.518 426 HA PRO 60 HA PRO 60 -21.928 -55.299 -56.526 427 HB2 PRO 60 HB2 PRO 60 -23.237 -52.907 -56.931 428 HB3 PRO 60 HB3 PRO 60 -23.399 -53.918 -55.453 429 HG2 PRO 60 HG2 PRO 60 -21.573 -51.540 -55.900 430 HG3 PRO 60 HG3 PRO 60 -22.637 -51.865 -54.491 431 HD2 PRO 60 HD2 PRO 60 -19.980 -52.445 -54.410 432 HD3 PRO 60 HD3 PRO 60 -21.173 -53.559 -53.683 433 H ASP 61 H ASP 61 -22.069 -55.706 -58.576 434 HA ASP 61 HA ASP 61 -21.419 -55.907 -60.698 435 HB2 ASP 61 HB2 ASP 61 -21.867 -52.931 -60.777 436 HB3 ASP 61 HB3 ASP 61 -21.811 -54.049 -62.155 437 H LEU 62 H LEU 62 -19.200 -56.147 -59.108 438 HA LEU 62 HA LEU 62 -17.187 -54.456 -60.388 439 HB2 LEU 62 HB2 LEU 62 -17.074 -54.812 -57.924 440 HB3 LEU 62 HB3 LEU 62 -16.902 -56.546 -58.199 441 HG LEU 62 HG LEU 62 -14.798 -56.131 -59.469 442 HD11 LEU 62 1HD1 LEU 62 -15.255 -53.249 -58.571 443 HD12 LEU 62 2HD1 LEU 62 -13.744 -53.876 -59.271 444 HD13 LEU 62 3HD1 LEU 62 -15.221 -53.834 -60.253 445 HD21 LEU 62 3HD2 LEU 62 -14.915 -54.893 -56.683 446 HD22 LEU 62 1HD2 LEU 62 -14.766 -56.629 -57.047 447 HD23 LEU 62 2HD2 LEU 62 -13.452 -55.515 -57.484 448 H ASP 63 H ASP 63 -16.271 -55.155 -62.234 449 HA ASP 63 HA ASP 63 -16.232 -58.065 -62.700 450 HB2 ASP 63 HB2 ASP 63 -17.628 -57.030 -64.405 451 HB3 ASP 63 HB3 ASP 63 -16.413 -55.770 -64.696 452 H MET 64 H MET 64 -14.096 -58.807 -62.777 453 HA MET 64 HA MET 64 -11.978 -56.762 -62.787 454 HB2 MET 64 HB2 MET 64 -12.057 -58.089 -60.705 455 HB3 MET 64 HB3 MET 64 -11.953 -59.591 -61.651 456 HG2 MET 64 HG2 MET 64 -9.780 -58.834 -62.581 457 HG3 MET 64 HG3 MET 64 -9.879 -57.364 -61.604 458 HE1 MET 64 HE1 MET 64 -11.069 -58.454 -58.848 459 HE2 MET 64 HE2 MET 64 -9.550 -58.704 -57.958 460 HE3 MET 64 HE3 MET 64 -9.740 -57.281 -59.012 461 H GLU 65 H GLU 65 -10.639 -56.797 -64.540 462 HA GLU 65 HA GLU 65 -10.998 -58.995 -66.458 463 HB2 GLU 65 HB2 GLU 65 -9.742 -56.266 -66.902 464 HB3 GLU 65 HB3 GLU 65 -9.943 -57.555 -68.112 465 HG2 GLU 65 HG2 GLU 65 -12.408 -57.470 -67.757 466 HG3 GLU 65 HG3 GLU 65 -12.184 -56.131 -66.615 467 H VAL 66 H VAL 66 -9.402 -60.386 -66.845 468 HA VAL 66 HA VAL 66 -6.756 -59.826 -65.682 469 HB VAL 66 HB VAL 66 -8.102 -62.479 -66.252 470 HG11 VAL 66 1HG1 VAL 66 -5.349 -61.794 -65.134 471 HG12 VAL 66 2HG1 VAL 66 -6.066 -63.423 -65.177 472 HG13 VAL 66 3HG1 VAL 66 -5.690 -62.584 -66.693 473 HG21 VAL 66 3HG2 VAL 66 -7.297 -61.091 -63.659 474 HG22 VAL 66 1HG2 VAL 66 -8.961 -61.335 -64.237 475 HG23 VAL 66 2HG2 VAL 66 -7.964 -62.736 -63.790 476 H VAL 67 H VAL 67 -5.156 -59.630 -67.191 477 HA VAL 67 HA VAL 67 -5.720 -59.619 -69.991 478 HB VAL 67 HB VAL 67 -3.455 -58.988 -70.316 479 HG11 VAL 67 1HG1 VAL 67 -4.765 -57.531 -67.983 480 HG12 VAL 67 2HG1 VAL 67 -3.547 -56.858 -69.090 481 HG13 VAL 67 3HG1 VAL 67 -5.158 -57.299 -69.703 482 HG21 VAL 67 3HG2 VAL 67 -3.163 -59.347 -67.302 483 HG22 VAL 67 1HG2 VAL 67 -2.384 -60.346 -68.552 484 HG23 VAL 67 2HG2 VAL 67 -1.949 -58.632 -68.390 485 H PHE 68 H PHE 68 -4.475 -62.144 -67.902 486 HA PHE 68 HA PHE 68 -3.660 -64.187 -68.261 487 HB2 PHE 68 HB2 PHE 68 -4.987 -64.117 -70.971 488 HB3 PHE 68 HB3 PHE 68 -4.396 -65.538 -70.095 489 HD1 PHE 68 HD2 PHE 68 -5.470 -66.122 -67.854 490 HD2 PHE 68 HD1 PHE 68 -7.154 -63.244 -70.568 491 HE1 PHE 68 HE2 PHE 68 -7.659 -66.315 -66.703 492 HE2 PHE 68 HE1 PHE 68 -9.342 -63.439 -69.418 493 HZ PHE 68 HZ PHE 68 -9.595 -64.974 -67.485 494 H GLU 69 H GLU 69 -1.913 -62.096 -68.629 495 HA GLU 69 HA GLU 69 0.040 -61.431 -69.431 496 HB2 GLU 69 HB2 GLU 69 0.519 -64.330 -70.024 497 HB3 GLU 69 HB3 GLU 69 1.726 -63.031 -69.899 498 HG2 GLU 69 HG2 GLU 69 1.038 -62.619 -67.556 499 HG3 GLU 69 HG3 GLU 69 -0.149 -63.934 -67.675 500 H THR 70 H THR 70 -2.062 -60.945 -71.248 501 HA THR 70 HA THR 70 -0.525 -61.198 -73.750 502 HB THR 70 HB THR 70 -3.504 -60.830 -73.393 503 HG1 THR 70 HG1 THR 70 -2.723 -62.944 -72.984 504 HG21 THR 70 1HG2 THR 70 -1.748 -61.136 -75.869 505 HG22 THR 70 2HG2 THR 70 -3.526 -61.079 -75.861 506 HG23 THR 70 3HG2 THR 70 -2.591 -59.652 -75.366 507 H GLN 71 H GLN 71 0.321 -59.166 -74.274 508 HA GLN 71 HA GLN 71 -0.799 -56.842 -72.865 509 HB2 GLN 71 HB2 GLN 71 1.898 -56.982 -74.251 510 HB3 GLN 71 HB3 GLN 71 1.280 -55.725 -73.160 511 HG2 GLN 71 HG2 GLN 71 1.995 -58.604 -72.471 512 HG3 GLN 71 HG3 GLN 71 2.836 -57.139 -71.936 513 HE21 GLN 71 2HE2 GLN 71 0.856 -59.521 -70.870 514 HE22 GLN 71 1HE2 GLN 71 -0.048 -58.667 -69.640 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -25.388 -46.181 -22.739 2 H2 GLY 1 H2 GLY 1 -26.945 -46.706 -23.151 3 H3 GLY 1 H3 GLY 1 -26.244 -45.418 -23.990 4 HA2 GLY 1 HA3 GLY 1 -27.241 -45.449 -21.211 5 HA3 GLY 1 HA2 GLY 1 -26.161 -44.176 -21.825 6 H SER 2 H SER 2 -29.330 -45.190 -21.444 7 HA SER 2 HA SER 2 -30.623 -44.251 -23.775 8 HB2 SER 2 HB2 SER 2 -32.648 -44.316 -22.371 9 HB3 SER 2 HB3 SER 2 -31.701 -45.816 -22.216 10 HG SER 2 HG SER 2 -32.389 -44.986 -20.197 11 H THR 3 H THR 3 -29.760 -42.780 -20.611 12 HA THR 3 HA THR 3 -30.860 -40.209 -21.359 13 HB THR 3 HB THR 3 -31.067 -41.053 -19.052 14 HG1 THR 3 HG1 THR 3 -31.047 -38.822 -19.569 15 HG21 THR 3 1HG2 THR 3 -28.053 -40.623 -19.022 16 HG22 THR 3 2HG2 THR 3 -29.071 -40.970 -17.604 17 HG23 THR 3 3HG2 THR 3 -28.883 -42.192 -18.884 18 H ALA 4 H ALA 4 -29.323 -38.231 -21.056 19 HA ALA 4 HA ALA 4 -27.097 -38.722 -22.847 20 HB1 ALA 4 HB1 ALA 4 -27.991 -36.132 -21.534 21 HB2 ALA 4 HB2 ALA 4 -26.722 -36.309 -22.769 22 HB3 ALA 4 HB3 ALA 4 -28.416 -36.671 -23.176 23 H MET 5 H MET 5 -25.238 -39.447 -22.036 24 HA MET 5 HA MET 5 -24.573 -38.840 -19.248 25 HB2 MET 5 HB2 MET 5 -23.364 -40.859 -21.212 26 HB3 MET 5 HB3 MET 5 -22.833 -40.607 -19.532 27 HG2 MET 5 HG2 MET 5 -25.600 -41.530 -20.413 28 HG3 MET 5 HG3 MET 5 -24.334 -42.555 -19.694 29 HE1 MET 5 HE1 MET 5 -23.157 -40.577 -17.481 30 HE2 MET 5 HE2 MET 5 -24.086 -41.124 -16.065 31 HE3 MET 5 HE3 MET 5 -23.452 -42.313 -17.226 32 H ALA 6 H ALA 6 -23.447 -36.876 -19.345 33 HA ALA 6 HA ALA 6 -22.191 -35.159 -20.034 34 HB1 ALA 6 HB1 ALA 6 -20.265 -37.312 -20.868 35 HB2 ALA 6 HB2 ALA 6 -19.913 -35.577 -20.689 36 HB3 ALA 6 HB3 ALA 6 -20.388 -36.540 -19.269 37 H THR 7 H THR 7 -24.238 -35.523 -21.696 38 HA THR 7 HA THR 7 -25.123 -34.800 -23.584 39 HB THR 7 HB THR 7 -24.141 -33.412 -25.129 40 HG1 THR 7 HG1 THR 7 -22.084 -34.399 -25.227 41 HG21 THR 7 1HG2 THR 7 -23.233 -32.784 -22.291 42 HG22 THR 7 2HG2 THR 7 -23.450 -31.600 -23.601 43 HG23 THR 7 3HG2 THR 7 -24.855 -32.482 -22.958 44 H THR 8 H THR 8 -22.029 -36.493 -24.532 45 HA THR 8 HA THR 8 -23.785 -37.761 -26.552 46 HB THR 8 HB THR 8 -20.816 -37.256 -26.752 47 HG1 THR 8 HG1 THR 8 -21.541 -35.753 -28.337 48 HG21 THR 8 1HG2 THR 8 -22.881 -38.289 -28.742 49 HG22 THR 8 2HG2 THR 8 -21.165 -37.975 -29.090 50 HG23 THR 8 3HG2 THR 8 -21.620 -39.266 -27.953 51 H MET 9 H MET 9 -23.747 -39.931 -26.757 52 HA MET 9 HA MET 9 -22.372 -41.467 -24.672 53 HB2 MET 9 HB2 MET 9 -24.914 -41.494 -24.779 54 HB3 MET 9 HB3 MET 9 -24.759 -42.322 -26.346 55 HG2 MET 9 HG2 MET 9 -25.112 -43.927 -24.532 56 HG3 MET 9 HG3 MET 9 -23.500 -44.140 -25.258 57 HE1 MET 9 HE1 MET 9 -22.243 -45.393 -23.580 58 HE2 MET 9 HE2 MET 9 -22.442 -45.207 -21.822 59 HE3 MET 9 HE3 MET 9 -23.826 -45.699 -22.828 60 H GLU 10 H GLU 10 -21.632 -43.492 -25.071 61 HA GLU 10 HA GLU 10 -20.433 -45.120 -25.926 62 HB2 GLU 10 HB2 GLU 10 -21.259 -44.239 -28.678 63 HB3 GLU 10 HB3 GLU 10 -20.449 -45.757 -28.220 64 HG2 GLU 10 HG2 GLU 10 -22.386 -46.326 -26.766 65 HG3 GLU 10 HG3 GLU 10 -23.200 -44.834 -27.293 66 H GLN 11 H GLN 11 -19.531 -41.905 -26.359 67 HA GLN 11 HA GLN 11 -16.942 -42.791 -27.406 68 HB2 GLN 11 HB2 GLN 11 -16.479 -40.466 -27.835 69 HB3 GLN 11 HB3 GLN 11 -17.892 -41.089 -28.718 70 HG2 GLN 11 HG2 GLN 11 -19.367 -39.993 -27.068 71 HG3 GLN 11 HG3 GLN 11 -17.929 -39.315 -26.269 72 HE21 GLN 11 1HE2 GLN 11 -17.209 -37.350 -26.984 73 HE22 GLN 11 2HE2 GLN 11 -17.610 -36.636 -28.530 74 H GLU 12 H GLU 12 -18.301 -42.884 -24.498 75 HA GLU 12 HA GLU 12 -17.614 -43.137 -22.421 76 HB2 GLU 12 HB2 GLU 12 -14.892 -43.504 -23.531 77 HB3 GLU 12 HB3 GLU 12 -15.417 -43.789 -21.855 78 HG2 GLU 12 HG2 GLU 12 -17.163 -45.366 -22.737 79 HG3 GLU 12 HG3 GLU 12 -16.460 -45.162 -24.360 80 H ILE 13 H ILE 13 -16.234 -42.344 -20.456 81 HA ILE 13 HA ILE 13 -15.822 -39.452 -20.875 82 HB ILE 13 HB ILE 13 -17.472 -40.704 -18.604 83 HG12 ILE 13 2HG1 ILE 13 -18.459 -38.917 -20.866 84 HG13 ILE 13 3HG1 ILE 13 -18.646 -40.686 -20.845 85 HG21 ILE 13 1HG2 ILE 13 -16.884 -37.800 -19.346 86 HG22 ILE 13 2HG2 ILE 13 -17.924 -38.338 -18.005 87 HG23 ILE 13 3HG2 ILE 13 -16.179 -38.685 -17.971 88 HD11 ILE 13 3HD1 ILE 13 -19.945 -40.526 -18.755 89 HD12 ILE 13 1HD1 ILE 13 -19.757 -38.755 -18.776 90 HD13 ILE 13 2HD1 ILE 13 -20.687 -39.567 -20.059 91 H CYS 14 H CYS 14 -13.832 -38.906 -19.773 92 HA CYS 14 HA CYS 14 -13.159 -40.433 -17.338 93 HB2 CYS 14 HB2 CYS 14 -11.624 -41.286 -18.953 94 HB3 CYS 14 HB3 CYS 14 -11.127 -39.636 -19.398 95 HG CYS 14 HG CYS 14 -9.302 -40.734 -17.872 96 H ALA 15 H ALA 15 -10.758 -38.036 -18.024 97 HA ALA 15 HA ALA 15 -11.995 -36.197 -16.154 98 HB1 ALA 15 HB1 ALA 15 -9.154 -36.415 -17.175 99 HB2 ALA 15 HB2 ALA 15 -9.753 -35.255 -15.966 100 HB3 ALA 15 HB3 ALA 15 -9.762 -36.998 -15.608 101 H HIS 16 H HIS 16 -9.831 -35.394 -19.123 102 HA HIS 16 HA HIS 16 -12.030 -33.577 -19.845 103 HB2 HIS 16 HB2 HIS 16 -10.763 -31.577 -19.963 104 HB3 HIS 16 HB3 HIS 16 -10.955 -32.170 -18.296 105 HD1 HIS 16 HD1 HIS 16 -8.831 -32.894 -17.084 106 HD2 HIS 16 HD2 HIS 16 -8.211 -31.301 -20.924 107 HE1 HIS 16 HE1 HIS 16 -6.348 -32.205 -17.233 108 H SER 17 H SER 17 -12.663 -34.303 -21.634 109 HA SER 17 HA SER 17 -12.751 -34.648 -23.816 110 HB2 SER 17 HB2 SER 17 -11.382 -31.962 -23.690 111 HB3 SER 17 HB3 SER 17 -12.282 -32.623 -25.077 112 HG SER 17 HG SER 17 -13.570 -31.287 -23.728 113 H MET 18 H MET 18 -11.033 -36.614 -23.502 114 HA MET 18 HA MET 18 -9.483 -36.174 -25.960 115 HB2 MET 18 HB2 MET 18 -8.015 -36.699 -23.511 116 HB3 MET 18 HB3 MET 18 -7.555 -37.521 -25.021 117 HG2 MET 18 HG2 MET 18 -6.284 -35.550 -24.980 118 HG3 MET 18 HG3 MET 18 -7.618 -35.202 -26.106 119 HE1 MET 18 HE1 MET 18 -7.018 -32.743 -26.157 120 HE2 MET 18 HE2 MET 18 -6.786 -31.738 -24.706 121 HE3 MET 18 HE3 MET 18 -5.654 -33.065 -25.061 122 H THR 19 H THR 19 -8.525 -39.132 -24.500 123 HA THR 19 HA THR 19 -10.248 -40.529 -26.374 124 HB THR 19 HB THR 19 -7.218 -40.806 -26.519 125 HG1 THR 19 HG1 THR 19 -7.967 -38.764 -27.293 126 HG21 THR 19 1HG2 THR 19 -9.406 -41.792 -28.372 127 HG22 THR 19 2HG2 THR 19 -7.653 -41.995 -28.603 128 HG23 THR 19 3HG2 THR 19 -8.468 -42.792 -27.237 129 H PHE 20 H PHE 20 -10.025 -42.916 -26.066 130 HA PHE 20 HA PHE 20 -10.083 -43.741 -23.432 131 HB2 PHE 20 HB2 PHE 20 -11.114 -44.963 -25.361 132 HB3 PHE 20 HB3 PHE 20 -9.496 -45.305 -26.017 133 HD1 PHE 20 HD2 PHE 20 -8.064 -46.990 -25.019 134 HD2 PHE 20 HD1 PHE 20 -11.982 -46.172 -23.457 135 HE1 PHE 20 HE2 PHE 20 -8.005 -49.120 -23.749 136 HE2 PHE 20 HE1 PHE 20 -11.926 -48.300 -22.194 137 HZ PHE 20 HZ PHE 20 -9.942 -49.780 -22.343 138 H GLU 21 H GLU 21 -7.439 -44.018 -25.909 139 HA GLU 21 HA GLU 21 -5.588 -45.355 -24.286 140 HB2 GLU 21 HB2 GLU 21 -5.090 -43.510 -26.648 141 HB3 GLU 21 HB3 GLU 21 -3.936 -44.668 -25.943 142 HG2 GLU 21 HG2 GLU 21 -5.464 -46.530 -26.502 143 HG3 GLU 21 HG3 GLU 21 -6.618 -45.373 -27.206 144 H GLU 22 H GLU 22 -6.315 -41.929 -24.886 145 HA GLU 22 HA GLU 22 -4.098 -40.860 -23.467 146 HB2 GLU 22 HB2 GLU 22 -6.712 -39.625 -24.402 147 HB3 GLU 22 HB3 GLU 22 -5.327 -38.732 -23.730 148 HG2 GLU 22 HG2 GLU 22 -5.180 -40.487 -26.204 149 HG3 GLU 22 HG3 GLU 22 -5.440 -38.727 -26.237 150 H CYS 23 H CYS 23 -7.165 -42.179 -22.333 151 HA CYS 23 HA CYS 23 -7.755 -40.529 -20.241 152 HB2 CYS 23 HB2 CYS 23 -9.229 -42.314 -20.802 153 HB3 CYS 23 HB3 CYS 23 -7.980 -43.536 -20.466 154 HG CYS 23 HG CYS 23 -9.830 -43.642 -18.683 155 HA PRO 24 HA PRO 24 -4.971 -42.705 -17.100 156 HB2 PRO 24 HB2 PRO 24 -2.537 -43.674 -17.861 157 HB3 PRO 24 HB3 PRO 24 -3.980 -44.688 -17.622 158 HG2 PRO 24 HG2 PRO 24 -2.854 -43.536 -20.217 159 HG3 PRO 24 HG3 PRO 24 -3.495 -45.171 -19.925 160 HD2 PRO 24 HD2 PRO 24 -5.036 -43.265 -21.115 161 HD3 PRO 24 HD3 PRO 24 -5.742 -44.452 -19.994 162 H LYS 25 H LYS 25 -3.642 -40.908 -19.913 163 HA LYS 25 HA LYS 25 -1.596 -39.570 -18.514 164 HB2 LYS 25 HB2 LYS 25 -3.210 -38.521 -20.850 165 HB3 LYS 25 HB3 LYS 25 -1.693 -37.847 -20.208 166 HG2 LYS 25 HG2 LYS 25 -0.573 -40.043 -20.670 167 HG3 LYS 25 HG3 LYS 25 -2.082 -40.618 -21.419 168 HD2 LYS 25 HD2 LYS 25 -1.978 -38.752 -23.049 169 HD3 LYS 25 HD3 LYS 25 -0.460 -38.193 -22.306 170 HE2 LYS 25 HE2 LYS 25 0.023 -39.527 -24.307 171 HE3 LYS 25 HE3 LYS 25 0.587 -40.385 -22.854 172 HZ1 LYS 25 HZ1 LYS 25 -1.396 -41.689 -22.930 173 HZ2 LYS 25 HZ2 LYS 25 -1.924 -40.894 -24.275 174 HZ3 LYS 25 HZ3 LYS 25 -0.562 -41.822 -24.346 175 H CYS 26 H CYS 26 -5.137 -38.830 -19.132 176 HA CYS 26 HA CYS 26 -4.723 -36.930 -16.900 177 HB2 CYS 26 HB2 CYS 26 -4.931 -35.463 -18.605 178 HB3 CYS 26 HB3 CYS 26 -6.417 -36.247 -19.193 179 HG CYS 26 HG CYS 26 -7.007 -34.036 -17.955 180 H SER 27 H SER 27 -5.037 -37.708 -15.394 181 HA SER 27 HA SER 27 -7.718 -38.447 -14.545 182 HB2 SER 27 HB2 SER 27 -5.016 -39.556 -13.597 183 HB3 SER 27 HB3 SER 27 -6.589 -39.901 -12.842 184 HG SER 27 HG SER 27 -5.849 -40.489 -15.523 185 H ALA 28 H ALA 28 -6.140 -35.950 -15.125 186 HA ALA 28 HA ALA 28 -4.664 -34.946 -12.951 187 HB1 ALA 28 HB1 ALA 28 -5.764 -33.587 -15.423 188 HB2 ALA 28 HB2 ALA 28 -4.621 -32.885 -14.253 189 HB3 ALA 28 HB3 ALA 28 -4.138 -34.287 -15.236 190 H LEU 29 H LEU 29 -5.038 -32.803 -12.169 191 HA LEU 29 HA LEU 29 -7.088 -32.775 -10.359 192 HB2 LEU 29 HB2 LEU 29 -5.475 -30.419 -11.437 193 HB3 LEU 29 HB3 LEU 29 -6.369 -30.472 -9.899 194 HG LEU 29 HG LEU 29 -4.016 -32.259 -10.631 195 HD11 LEU 29 1HD1 LEU 29 -4.263 -29.879 -8.736 196 HD12 LEU 29 2HD1 LEU 29 -2.816 -30.896 -8.938 197 HD13 LEU 29 3HD1 LEU 29 -3.390 -29.884 -10.286 198 HD21 LEU 29 3HD2 LEU 29 -5.533 -31.904 -8.015 199 HD22 LEU 29 1HD2 LEU 29 -5.606 -33.333 -9.075 200 HD23 LEU 29 2HD2 LEU 29 -4.084 -32.909 -8.255 201 H GLN 30 H GLN 30 -7.034 -31.208 -13.657 202 HA GLN 30 HA GLN 30 -9.174 -29.469 -13.094 203 HB2 GLN 30 HB2 GLN 30 -8.550 -30.686 -15.787 204 HB3 GLN 30 HB3 GLN 30 -9.433 -29.185 -15.424 205 HG2 GLN 30 HG2 GLN 30 -7.378 -28.235 -14.411 206 HG3 GLN 30 HG3 GLN 30 -6.491 -29.707 -14.863 207 HE21 GLN 30 1HE2 GLN 30 -6.085 -26.877 -15.728 208 HE22 GLN 30 2HE2 GLN 30 -6.204 -26.894 -17.473 209 H TYR 31 H TYR 31 -9.424 -32.770 -14.627 210 HA TYR 31 HA TYR 31 -11.214 -34.043 -15.095 211 HB2 TYR 31 HB2 TYR 31 -12.392 -32.971 -12.520 212 HB3 TYR 31 HB3 TYR 31 -12.903 -34.413 -13.408 213 HD1 TYR 31 HD2 TYR 31 -11.135 -36.274 -13.762 214 HD2 TYR 31 HD1 TYR 31 -10.776 -33.145 -10.837 215 HE1 TYR 31 HE2 TYR 31 -9.538 -37.670 -12.476 216 HE2 TYR 31 HE1 TYR 31 -9.179 -34.528 -9.540 217 HH TYR 31 HH TYR 31 -8.215 -37.818 -10.606 218 H ARG 32 H ARG 32 -11.345 -31.525 -16.548 219 HA ARG 32 HA ARG 32 -13.780 -30.172 -16.145 220 HB2 ARG 32 HB2 ARG 32 -12.206 -30.353 -18.704 221 HB3 ARG 32 HB3 ARG 32 -13.473 -29.180 -18.290 222 HG2 ARG 32 HG2 ARG 32 -12.114 -28.404 -16.361 223 HG3 ARG 32 HG3 ARG 32 -10.834 -29.549 -16.829 224 HD2 ARG 32 HD2 ARG 32 -10.540 -28.422 -18.969 225 HD3 ARG 32 HD3 ARG 32 -11.905 -27.340 -18.623 226 HE ARG 32 HE ARG 32 -10.133 -27.019 -16.494 227 HH11 ARG 32 1HH1 ARG 32 -10.068 -26.588 -20.010 228 HH12 ARG 32 2HH1 ARG 32 -8.936 -25.255 -19.955 229 HH21 ARG 32 1HH2 ARG 32 -8.652 -25.262 -16.433 230 HH22 ARG 32 2HH2 ARG 32 -8.132 -24.501 -17.920 231 H ASN 33 H ASN 33 -13.377 -32.912 -18.560 232 HA ASN 33 HA ASN 33 -16.304 -32.921 -18.411 233 HB2 ASN 33 HB2 ASN 33 -15.813 -31.442 -20.336 234 HB3 ASN 33 HB3 ASN 33 -14.921 -32.766 -21.104 235 HD21 ASN 33 1HD2 ASN 33 -17.023 -31.691 -22.474 236 HD22 ASN 33 2HD2 ASN 33 -18.391 -32.780 -22.477 237 H GLY 34 H GLY 34 -13.869 -34.495 -20.669 238 HA2 GLY 34 HA2 GLY 34 -13.834 -36.870 -19.079 239 HA3 GLY 34 HA3 GLY 34 -14.898 -37.011 -20.493 240 H PHE 35 H PHE 35 -11.736 -37.551 -19.444 241 HA PHE 35 HA PHE 35 -10.277 -36.680 -21.721 242 HB2 PHE 35 HB2 PHE 35 -9.520 -37.259 -19.206 243 HB3 PHE 35 HB3 PHE 35 -9.113 -38.785 -20.004 244 HD1 PHE 35 HD1 PHE 35 -8.829 -35.073 -20.430 245 HD2 PHE 35 HD2 PHE 35 -7.040 -38.887 -21.154 246 HE1 PHE 35 HE1 PHE 35 -6.849 -33.936 -21.373 247 HE2 PHE 35 HE2 PHE 35 -4.999 -37.745 -22.037 248 HZ PHE 35 HZ PHE 35 -4.924 -35.283 -22.181 249 H TYR 36 H TYR 36 -12.489 -39.335 -21.251 250 HA TYR 36 HA TYR 36 -11.074 -40.906 -23.282 251 HB2 TYR 36 HB2 TYR 36 -13.786 -41.456 -22.021 252 HB3 TYR 36 HB3 TYR 36 -13.052 -42.386 -23.301 253 HD1 TYR 36 HD2 TYR 36 -11.638 -44.206 -22.866 254 HD2 TYR 36 HD1 TYR 36 -13.312 -41.903 -19.758 255 HE1 TYR 36 HE2 TYR 36 -10.757 -45.856 -21.223 256 HE2 TYR 36 HE1 TYR 36 -12.642 -43.600 -18.082 257 HH TYR 36 HH TYR 36 -11.480 -45.558 -17.724 258 H LEU 37 H LEU 37 -13.601 -38.472 -22.607 259 HA LEU 37 HA LEU 37 -15.647 -39.186 -24.326 260 HB2 LEU 37 HB2 LEU 37 -15.835 -37.582 -22.434 261 HB3 LEU 37 HB3 LEU 37 -14.949 -36.405 -23.408 262 HG LEU 37 HG LEU 37 -16.769 -36.576 -25.158 263 HD11 LEU 37 1HD1 LEU 37 -18.265 -37.973 -22.896 264 HD12 LEU 37 2HD1 LEU 37 -18.935 -37.491 -24.471 265 HD13 LEU 37 3HD1 LEU 37 -17.714 -38.779 -24.375 266 HD21 LEU 37 3HD2 LEU 37 -17.556 -35.711 -22.349 267 HD22 LEU 37 1HD2 LEU 37 -16.618 -34.743 -23.511 268 HD23 LEU 37 2HD2 LEU 37 -18.314 -35.157 -23.859 269 H LEU 38 H LEU 38 -13.033 -36.800 -25.402 270 HA LEU 38 HA LEU 38 -14.716 -36.321 -27.645 271 HB2 LEU 38 HB2 LEU 38 -11.788 -35.837 -27.570 272 HB3 LEU 38 HB3 LEU 38 -12.897 -35.450 -28.897 273 HG LEU 38 HG LEU 38 -13.055 -34.355 -26.064 274 HD11 LEU 38 1HD1 LEU 38 -12.410 -33.063 -28.753 275 HD12 LEU 38 2HD1 LEU 38 -12.481 -32.223 -27.188 276 HD13 LEU 38 3HD1 LEU 38 -11.223 -33.445 -27.489 277 HD21 LEU 38 3HD2 LEU 38 -14.798 -33.850 -28.515 278 HD22 LEU 38 1HD2 LEU 38 -15.321 -34.548 -26.961 279 HD23 LEU 38 2HD2 LEU 38 -14.815 -32.853 -27.042 280 H LYS 39 H LYS 39 -12.219 -38.881 -27.279 281 HA LYS 39 HA LYS 39 -13.364 -39.841 -29.789 282 HB2 LYS 39 HB2 LYS 39 -11.340 -38.540 -30.365 283 HB3 LYS 39 HB3 LYS 39 -10.385 -39.531 -29.249 284 HG2 LYS 39 HG2 LYS 39 -10.848 -41.539 -30.596 285 HG3 LYS 39 HG3 LYS 39 -11.882 -40.583 -31.687 286 HD2 LYS 39 HD2 LYS 39 -9.945 -39.133 -32.242 287 HD3 LYS 39 HD3 LYS 39 -8.916 -40.100 -31.162 288 HE2 LYS 39 HE2 LYS 39 -9.351 -42.104 -32.542 289 HE3 LYS 39 HE3 LYS 39 -10.382 -41.140 -33.619 290 HZ1 LYS 39 HZ1 LYS 39 -8.175 -41.373 -34.481 291 HZ2 LYS 39 HZ2 LYS 39 -7.523 -40.691 -33.128 292 HZ3 LYS 39 HZ3 LYS 39 -8.479 -39.791 -34.125 293 H TYR 40 H TYR 40 -13.954 -41.785 -29.762 294 HA TYR 40 HA TYR 40 -12.665 -43.663 -27.897 295 HB2 TYR 40 HB2 TYR 40 -15.025 -43.234 -27.335 296 HB3 TYR 40 HB3 TYR 40 -15.516 -43.711 -28.970 297 HD1 TYR 40 HD1 TYR 40 -13.459 -45.020 -26.102 298 HD2 TYR 40 HD2 TYR 40 -16.303 -45.889 -29.205 299 HE1 TYR 40 HE1 TYR 40 -13.584 -47.367 -25.319 300 HE2 TYR 40 HE2 TYR 40 -16.434 -48.241 -28.439 301 HH TYR 40 HH TYR 40 -14.521 -49.437 -25.645 302 H ASP 41 H ASP 41 -12.789 -42.473 -31.034 303 HA ASP 41 HA ASP 41 -12.365 -43.112 -33.090 304 HB2 ASP 41 HB2 ASP 41 -10.259 -43.882 -32.092 305 HB3 ASP 41 HB3 ASP 41 -10.972 -45.487 -31.844 306 H GLU 42 H GLU 42 -14.921 -43.503 -32.336 307 HA GLU 42 HA GLU 42 -15.666 -46.093 -33.506 308 HB2 GLU 42 HB2 GLU 42 -16.601 -45.643 -31.258 309 HB3 GLU 42 HB3 GLU 42 -17.337 -44.151 -31.860 310 HG2 GLU 42 HG2 GLU 42 -18.731 -45.445 -33.415 311 HG3 GLU 42 HG3 GLU 42 -17.939 -46.948 -32.898 312 H GLU 43 H GLU 43 -16.728 -45.953 -35.527 313 HA GLU 43 HA GLU 43 -16.626 -43.435 -36.897 314 HB2 GLU 43 HB2 GLU 43 -16.173 -45.554 -38.067 315 HB3 GLU 43 HB3 GLU 43 -17.833 -46.095 -37.746 316 HG2 GLU 43 HG2 GLU 43 -18.731 -44.234 -39.065 317 HG3 GLU 43 HG3 GLU 43 -17.099 -43.572 -39.288 318 H TRP 44 H TRP 44 -18.230 -41.937 -37.098 319 HA TRP 44 HA TRP 44 -20.897 -42.703 -36.099 320 HB2 TRP 44 HB2 TRP 44 -19.481 -40.032 -35.872 321 HB3 TRP 44 HB3 TRP 44 -21.207 -40.278 -35.598 322 HD1 TRP 44 HD1 TRP 44 -17.826 -40.890 -33.986 323 HE1 TRP 44 HE1 TRP 44 -18.139 -41.575 -31.549 324 HE3 TRP 44 HE3 TRP 44 -22.903 -41.471 -33.975 325 HZ2 TRP 44 HZ2 TRP 44 -20.333 -42.306 -29.803 326 HZ3 TRP 44 HZ3 TRP 44 -24.076 -42.160 -31.914 327 HH2 TRP 44 HH2 TRP 44 -22.809 -42.587 -29.828 328 H PTR 45 H PTR 45 -22.563 -42.382 -37.339 329 HA PTR 45 HA PTR 45 -23.768 -42.104 -39.204 330 HB2 PTR 45 HB2 PTR 45 -22.871 -39.272 -38.885 331 HB3 PTR 45 HB3 PTR 45 -24.256 -39.862 -39.814 332 HD1 PTR 45 HD1 PTR 45 -22.926 -39.211 -36.454 333 HD2 PTR 45 HD2 PTR 45 -26.228 -40.805 -38.696 334 HE1 PTR 45 HE1 PTR 45 -24.324 -39.171 -34.405 335 HE2 PTR 45 HE2 PTR 45 -27.642 -40.762 -36.659 336 HA PRO 46 HA PRO 46 -20.716 -42.311 -42.517 337 HB2 PRO 46 HB2 PRO 46 -20.535 -44.985 -42.962 338 HB3 PRO 46 HB3 PRO 46 -19.643 -44.219 -41.605 339 HG2 PRO 46 HG2 PRO 46 -22.342 -45.613 -41.497 340 HG3 PRO 46 HG3 PRO 46 -20.907 -45.912 -40.457 341 HD2 PRO 46 HD2 PRO 46 -22.945 -44.237 -39.702 342 HD3 PRO 46 HD3 PRO 46 -21.238 -43.903 -39.272 343 H GLU 47 H GLU 47 -22.752 -41.165 -43.187 344 HA GLU 47 HA GLU 47 -25.076 -42.416 -44.039 345 HB2 GLU 47 HB2 GLU 47 -23.778 -39.838 -45.006 346 HB3 GLU 47 HB3 GLU 47 -25.465 -40.327 -45.293 347 HG2 GLU 47 HG2 GLU 47 -25.835 -40.435 -42.835 348 HG3 GLU 47 HG3 GLU 47 -24.173 -39.879 -42.568 349 H GLU 48 H GLU 48 -22.093 -41.605 -45.947 350 HA GLU 48 HA GLU 48 -23.166 -42.411 -48.420 351 HB2 GLU 48 HB2 GLU 48 -20.271 -42.370 -47.550 352 HB3 GLU 48 HB3 GLU 48 -20.881 -42.544 -49.209 353 HG2 GLU 48 HG2 GLU 48 -22.045 -40.338 -48.963 354 HG3 GLU 48 HG3 GLU 48 -21.275 -40.145 -47.376 355 H LEU 49 H LEU 49 -21.395 -44.238 -45.857 356 HA LEU 49 HA LEU 49 -21.123 -46.624 -47.358 357 HB2 LEU 49 HB2 LEU 49 -21.229 -46.381 -44.352 358 HB3 LEU 49 HB3 LEU 49 -20.594 -47.724 -45.315 359 HG LEU 49 HG LEU 49 -19.460 -44.898 -45.169 360 HD11 LEU 49 1HD1 LEU 49 -18.330 -47.609 -44.347 361 HD12 LEU 49 2HD1 LEU 49 -17.515 -46.036 -44.179 362 HD13 LEU 49 3HD1 LEU 49 -18.973 -46.390 -43.228 363 HD21 LEU 49 3HD2 LEU 49 -18.567 -47.299 -46.825 364 HD22 LEU 49 1HD2 LEU 49 -19.191 -45.754 -47.456 365 HD23 LEU 49 2HD2 LEU 49 -17.633 -45.800 -46.609 366 H LEU 50 H LEU 50 -23.665 -45.398 -45.118 367 HA LEU 50 HA LEU 50 -25.189 -47.746 -44.973 368 HB2 LEU 50 HB2 LEU 50 -25.968 -44.830 -44.690 369 HB3 LEU 50 HB3 LEU 50 -27.079 -46.181 -44.398 370 HG LEU 50 HG LEU 50 -24.412 -45.892 -42.959 371 HD11 LEU 50 1HD1 LEU 50 -27.201 -45.055 -42.067 372 HD12 LEU 50 2HD1 LEU 50 -25.735 -45.035 -41.058 373 HD13 LEU 50 3HD1 LEU 50 -25.859 -43.954 -42.464 374 HD21 LEU 50 3HD2 LEU 50 -26.910 -47.543 -42.407 375 HD22 LEU 50 1HD2 LEU 50 -25.343 -48.171 -42.971 376 HD23 LEU 50 2HD2 LEU 50 -25.479 -47.453 -41.355 377 H TPO 51 H TPO 51 -25.227 -44.957 -47.280 378 HA TPO 51 HA TPO 51 -27.509 -45.827 -48.727 379 HB TPO 51 HB TPO 51 -26.472 -43.485 -48.626 380 HG21 TPO 51 1HG2 TPO 51 -24.666 -44.789 -50.711 381 HG22 TPO 51 2HG2 TPO 51 -24.799 -43.039 -50.416 382 HG23 TPO 51 3HG2 TPO 51 -24.147 -44.103 -49.152 383 H ASP 52 H ASP 52 -27.612 -47.178 -50.558 384 HA ASP 52 HA ASP 52 -25.430 -48.977 -50.985 385 HB2 ASP 52 HB2 ASP 52 -27.953 -48.646 -52.633 386 HB3 ASP 52 HB3 ASP 52 -26.794 -49.987 -52.714 387 H GLY 53 H GLY 53 -23.882 -48.972 -52.542 388 HA2 GLY 53 HA2 GLY 53 -23.981 -47.850 -55.033 389 HA3 GLY 53 HA3 GLY 53 -23.398 -46.558 -53.956 390 H GLU 54 H GLU 54 -21.392 -46.694 -55.176 391 HA GLU 54 HA GLU 54 -19.750 -49.012 -55.177 392 HB2 GLU 54 HB2 GLU 54 -18.863 -46.135 -55.526 393 HB3 GLU 54 HB3 GLU 54 -17.985 -47.608 -55.931 394 HG2 GLU 54 HG2 GLU 54 -18.775 -46.919 -57.992 395 HG3 GLU 54 HG3 GLU 54 -19.955 -48.151 -57.519 396 H ASP 55 H ASP 55 -17.834 -49.402 -54.019 397 HA ASP 55 HA ASP 55 -17.991 -48.967 -51.252 398 HB2 ASP 55 HB2 ASP 55 -15.607 -49.890 -52.882 399 HB3 ASP 55 HB3 ASP 55 -15.838 -50.070 -51.132 400 H ASP 56 H ASP 56 -15.883 -47.377 -53.735 401 HA ASP 56 HA ASP 56 -15.092 -45.530 -51.568 402 HB2 ASP 56 HB2 ASP 56 -13.481 -46.352 -54.021 403 HB3 ASP 56 HB3 ASP 56 -13.025 -45.101 -52.857 404 H VAL 57 H VAL 57 -14.761 -43.331 -52.211 405 HA VAL 57 HA VAL 57 -16.745 -42.260 -53.908 406 HB VAL 57 HB VAL 57 -14.324 -40.976 -52.633 407 HG11 VAL 57 1HG1 VAL 57 -16.842 -39.797 -53.884 408 HG12 VAL 57 2HG1 VAL 57 -15.619 -38.880 -52.975 409 HG13 VAL 57 3HG1 VAL 57 -15.186 -39.645 -54.518 410 HG21 VAL 57 3HG2 VAL 57 -17.252 -41.161 -51.792 411 HG22 VAL 57 1HG2 VAL 57 -15.887 -41.987 -51.004 412 HG23 VAL 57 2HG2 VAL 57 -15.996 -40.214 -50.962 413 H PHE 58 H PHE 58 -13.202 -42.894 -54.364 414 HA PHE 58 HA PHE 58 -13.232 -41.670 -56.972 415 HB2 PHE 58 HB2 PHE 58 -10.951 -42.441 -57.202 416 HB3 PHE 58 HB3 PHE 58 -11.218 -41.452 -55.762 417 HD1 PHE 58 HD1 PHE 58 -10.768 -44.964 -56.939 418 HD2 PHE 58 HD2 PHE 58 -10.785 -42.279 -53.582 419 HE1 PHE 58 HE1 PHE 58 -9.807 -46.746 -55.507 420 HE2 PHE 58 HE2 PHE 58 -9.823 -44.062 -52.151 421 HZ PHE 58 HZ PHE 58 -9.332 -46.296 -53.113 422 H ASP 59 H ASP 59 -14.410 -44.756 -55.952 423 HA ASP 59 HA ASP 59 -13.537 -46.304 -58.139 424 HB2 ASP 59 HB2 ASP 59 -15.969 -46.621 -56.392 425 HB3 ASP 59 HB3 ASP 59 -15.516 -47.724 -57.699 426 HA PRO 60 HA PRO 60 -17.398 -45.244 -60.568 427 HB2 PRO 60 HB2 PRO 60 -18.752 -42.872 -60.214 428 HB3 PRO 60 HB3 PRO 60 -19.203 -44.422 -59.419 429 HG2 PRO 60 HG2 PRO 60 -17.514 -42.169 -58.296 430 HG3 PRO 60 HG3 PRO 60 -18.872 -43.031 -57.501 431 HD2 PRO 60 HD2 PRO 60 -16.287 -43.704 -56.988 432 HD3 PRO 60 HD3 PRO 60 -17.537 -44.970 -57.154 433 H ASP 61 H ASP 61 -17.071 -44.502 -62.580 434 HA ASP 61 HA ASP 61 -15.948 -43.640 -64.298 435 HB2 ASP 61 HB2 ASP 61 -16.151 -41.028 -62.805 436 HB3 ASP 61 HB3 ASP 61 -15.807 -41.256 -64.531 437 H LEU 62 H LEU 62 -14.274 -45.029 -62.523 438 HA LEU 62 HA LEU 62 -11.875 -43.375 -62.378 439 HB2 LEU 62 HB2 LEU 62 -12.399 -44.874 -60.462 440 HB3 LEU 62 HB3 LEU 62 -12.346 -46.267 -61.549 441 HG LEU 62 HG LEU 62 -9.955 -45.719 -62.080 442 HD11 LEU 62 1HD1 LEU 62 -10.341 -43.665 -59.855 443 HD12 LEU 62 2HD1 LEU 62 -8.775 -44.144 -60.550 444 HD13 LEU 62 3HD1 LEU 62 -9.970 -43.309 -61.560 445 HD21 LEU 62 3HD2 LEU 62 -10.629 -46.063 -59.126 446 HD22 LEU 62 1HD2 LEU 62 -10.561 -47.364 -60.338 447 HD23 LEU 62 2HD2 LEU 62 -9.080 -46.484 -59.897 448 H ASP 63 H ASP 63 -10.510 -43.362 -64.133 449 HA ASP 63 HA ASP 63 -10.795 -45.565 -66.069 450 HB2 ASP 63 HB2 ASP 63 -11.249 -43.377 -67.093 451 HB3 ASP 63 HB3 ASP 63 -9.731 -42.729 -66.444 452 H MET 64 H MET 64 -9.074 -46.982 -65.950 453 HA MET 64 HA MET 64 -6.566 -45.971 -64.785 454 HB2 MET 64 HB2 MET 64 -7.717 -47.592 -63.275 455 HB3 MET 64 HB3 MET 64 -7.727 -48.791 -64.588 456 HG2 MET 64 HG2 MET 64 -5.256 -48.677 -64.692 457 HG3 MET 64 HG3 MET 64 -5.252 -47.493 -63.382 458 HE1 MET 64 HE1 MET 64 -7.545 -48.651 -61.445 459 HE2 MET 64 HE2 MET 64 -6.513 -49.561 -60.321 460 HE3 MET 64 HE3 MET 64 -5.981 -47.976 -60.929 461 H GLU 65 H GLU 65 -4.915 -46.081 -66.258 462 HA GLU 65 HA GLU 65 -5.297 -47.890 -68.558 463 HB2 GLU 65 HB2 GLU 65 -5.308 -45.527 -69.289 464 HB3 GLU 65 HB3 GLU 65 -3.767 -45.252 -68.446 465 HG2 GLU 65 HG2 GLU 65 -2.683 -46.963 -69.878 466 HG3 GLU 65 HG3 GLU 65 -4.226 -47.237 -70.713 467 H VAL 66 H VAL 66 -3.756 -49.568 -68.404 468 HA VAL 66 HA VAL 66 -1.426 -49.009 -66.672 469 HB VAL 66 HB VAL 66 -2.767 -51.668 -67.185 470 HG11 VAL 66 1HG1 VAL 66 -0.341 -50.873 -65.517 471 HG12 VAL 66 2HG1 VAL 66 -1.118 -52.474 -65.500 472 HG13 VAL 66 3HG1 VAL 66 -0.331 -51.889 -66.978 473 HG21 VAL 66 3HG2 VAL 66 -2.563 -49.903 -64.707 474 HG22 VAL 66 1HG2 VAL 66 -4.040 -50.228 -65.647 475 HG23 VAL 66 2HG2 VAL 66 -3.250 -51.544 -64.751 476 H VAL 67 H VAL 67 0.423 -48.982 -67.685 477 HA VAL 67 HA VAL 67 0.747 -49.401 -70.480 478 HB VAL 67 HB VAL 67 3.041 -48.846 -70.163 479 HG11 VAL 67 1HG1 VAL 67 1.095 -47.013 -68.696 480 HG12 VAL 67 2HG1 VAL 67 2.640 -46.528 -69.432 481 HG13 VAL 67 3HG1 VAL 67 1.308 -47.102 -70.460 482 HG21 VAL 67 3HG2 VAL 67 2.306 -48.632 -67.209 483 HG22 VAL 67 1HG2 VAL 67 3.407 -49.832 -67.920 484 HG23 VAL 67 2HG2 VAL 67 3.840 -48.111 -67.940 485 H PHE 68 H PHE 68 1.454 -51.421 -67.638 486 HA PHE 68 HA PHE 68 2.163 -53.510 -67.374 487 HB2 PHE 68 HB2 PHE 68 1.536 -54.025 -70.291 488 HB3 PHE 68 HB3 PHE 68 1.870 -55.230 -69.041 489 HD1 PHE 68 HD2 PHE 68 0.271 -55.453 -67.084 490 HD2 PHE 68 HD1 PHE 68 -0.652 -53.152 -70.596 491 HE1 PHE 68 HE2 PHE 68 -2.141 -55.544 -66.512 492 HE2 PHE 68 HE1 PHE 68 -3.063 -53.245 -70.024 493 HZ PHE 68 HZ PHE 68 -3.809 -54.444 -67.982 494 H GLU 69 H GLU 69 4.007 -51.365 -68.074 495 HA GLU 69 HA GLU 69 6.088 -50.887 -68.664 496 HB2 GLU 69 HB2 GLU 69 6.608 -53.802 -68.088 497 HB3 GLU 69 HB3 GLU 69 7.806 -52.492 -68.176 498 HG2 GLU 69 HG2 GLU 69 6.647 -51.321 -66.319 499 HG3 GLU 69 HG3 GLU 69 5.485 -52.658 -66.209 500 H THR 70 H THR 70 4.341 -51.283 -70.864 501 HA THR 70 HA THR 70 6.273 -52.313 -72.827 502 HB THR 70 HB THR 70 3.247 -52.200 -72.977 503 HG1 THR 70 HG1 THR 70 4.099 -53.854 -71.640 504 HG21 THR 70 1HG2 THR 70 5.359 -53.273 -74.899 505 HG22 THR 70 2HG2 THR 70 3.599 -53.441 -75.098 506 HG23 THR 70 3HG2 THR 70 4.348 -51.831 -75.159 507 H GLN 71 H GLN 71 6.944 -50.743 -74.264 508 HA GLN 71 HA GLN 71 5.732 -48.085 -74.002 509 HB2 GLN 71 HB2 GLN 71 8.166 -48.153 -73.636 510 HB3 GLN 71 HB3 GLN 71 8.397 -48.921 -75.222 511 HG2 GLN 71 HG2 GLN 71 8.787 -46.458 -75.286 512 HG3 GLN 71 HG3 GLN 71 7.461 -46.960 -76.349 513 HE21 GLN 71 2HE2 GLN 71 8.021 -45.898 -72.936 514 HE22 GLN 71 1HE2 GLN 71 6.581 -44.911 -72.831 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -25.097 -45.655 -25.540 2 H2 GLY 1 H2 GLY 1 -26.604 -46.076 -26.189 3 H3 GLY 1 H3 GLY 1 -25.824 -44.673 -26.719 4 HA2 GLY 1 HA3 GLY 1 -27.095 -45.168 -24.100 5 HA3 GLY 1 HA2 GLY 1 -25.961 -43.826 -24.374 6 H SER 2 H SER 2 -29.150 -44.840 -24.491 7 HA SER 2 HA SER 2 -30.204 -43.493 -26.741 8 HB2 SER 2 HB2 SER 2 -32.360 -43.767 -25.578 9 HB3 SER 2 HB3 SER 2 -31.431 -45.286 -25.591 10 HG SER 2 HG SER 2 -32.320 -44.806 -23.537 11 H THR 3 H THR 3 -29.666 -42.602 -23.300 12 HA THR 3 HA THR 3 -30.690 -39.925 -23.698 13 HB THR 3 HB THR 3 -31.126 -41.150 -21.603 14 HG1 THR 3 HG1 THR 3 -31.058 -38.864 -21.722 15 HG21 THR 3 1HG2 THR 3 -28.131 -40.779 -21.201 16 HG22 THR 3 2HG2 THR 3 -29.286 -41.350 -19.972 17 HG23 THR 3 3HG2 THR 3 -28.968 -42.335 -21.420 18 H ALA 4 H ALA 4 -29.195 -38.053 -22.906 19 HA ALA 4 HA ALA 4 -26.799 -38.262 -24.525 20 HB1 ALA 4 HB1 ALA 4 -27.825 -35.924 -22.879 21 HB2 ALA 4 HB2 ALA 4 -26.438 -35.905 -23.994 22 HB3 ALA 4 HB3 ALA 4 -28.082 -36.165 -24.624 23 H MET 5 H MET 5 -25.030 -39.145 -23.671 24 HA MET 5 HA MET 5 -24.649 -39.038 -20.769 25 HB2 MET 5 HB2 MET 5 -23.246 -40.708 -22.922 26 HB3 MET 5 HB3 MET 5 -22.887 -40.758 -21.180 27 HG2 MET 5 HG2 MET 5 -25.549 -41.472 -22.477 28 HG3 MET 5 HG3 MET 5 -24.360 -42.624 -21.824 29 HE1 MET 5 HE1 MET 5 -23.415 -41.076 -19.197 30 HE2 MET 5 HE2 MET 5 -24.480 -41.845 -17.996 31 HE3 MET 5 HE3 MET 5 -23.731 -42.826 -19.277 32 H ALA 6 H ALA 6 -23.523 -37.105 -20.412 33 HA ALA 6 HA ALA 6 -22.207 -35.315 -20.665 34 HB1 ALA 6 HB1 ALA 6 -20.203 -37.322 -21.664 35 HB2 ALA 6 HB2 ALA 6 -19.874 -35.650 -21.153 36 HB3 ALA 6 HB3 ALA 6 -20.487 -36.835 -19.976 37 H THR 7 H THR 7 -24.076 -35.355 -22.560 38 HA THR 7 HA THR 7 -24.767 -34.303 -24.373 39 HB THR 7 HB THR 7 -23.638 -32.685 -25.549 40 HG1 THR 7 HG1 THR 7 -21.580 -33.674 -25.611 41 HG21 THR 7 1HG2 THR 7 -23.021 -32.571 -22.569 42 HG22 THR 7 2HG2 THR 7 -23.108 -31.175 -23.670 43 HG23 THR 7 3HG2 THR 7 -24.568 -32.133 -23.331 44 H THR 8 H THR 8 -21.591 -35.856 -25.287 45 HA THR 8 HA THR 8 -23.133 -36.729 -27.661 46 HB THR 8 HB THR 8 -20.161 -36.244 -27.475 47 HG1 THR 8 HG1 THR 8 -20.725 -34.480 -28.839 48 HG21 THR 8 1HG2 THR 8 -22.013 -36.887 -29.808 49 HG22 THR 8 2HG2 THR 8 -20.271 -36.544 -29.924 50 HG23 THR 8 3HG2 THR 8 -20.836 -38.005 -29.079 51 H MET 9 H MET 9 -23.071 -38.832 -28.233 52 HA MET 9 HA MET 9 -21.910 -40.726 -26.319 53 HB2 MET 9 HB2 MET 9 -24.428 -40.694 -26.681 54 HB3 MET 9 HB3 MET 9 -24.115 -41.242 -28.345 55 HG2 MET 9 HG2 MET 9 -24.646 -43.130 -26.880 56 HG3 MET 9 HG3 MET 9 -22.969 -43.240 -27.468 57 HE1 MET 9 HE1 MET 9 -21.884 -44.783 -25.916 58 HE2 MET 9 HE2 MET 9 -22.260 -44.899 -24.181 59 HE3 MET 9 HE3 MET 9 -23.535 -45.189 -25.389 60 H GLU 10 H GLU 10 -21.130 -42.663 -26.987 61 HA GLU 10 HA GLU 10 -19.849 -44.138 -27.987 62 HB2 GLU 10 HB2 GLU 10 -20.396 -42.783 -30.614 63 HB3 GLU 10 HB3 GLU 10 -19.633 -44.370 -30.348 64 HG2 GLU 10 HG2 GLU 10 -21.705 -45.150 -29.213 65 HG3 GLU 10 HG3 GLU 10 -22.464 -43.578 -29.552 66 H GLN 11 H GLN 11 -18.913 -40.911 -27.766 67 HA GLN 11 HA GLN 11 -16.230 -41.644 -28.688 68 HB2 GLN 11 HB2 GLN 11 -15.730 -39.287 -28.660 69 HB3 GLN 11 HB3 GLN 11 -17.047 -39.726 -29.774 70 HG2 GLN 11 HG2 GLN 11 -18.682 -38.908 -28.114 71 HG3 GLN 11 HG3 GLN 11 -17.333 -38.400 -27.071 72 HE21 GLN 11 1HE2 GLN 11 -16.548 -36.354 -27.360 73 HE22 GLN 11 2HE2 GLN 11 -16.793 -35.377 -28.791 74 H GLU 12 H GLU 12 -17.874 -42.216 -25.990 75 HA GLU 12 HA GLU 12 -17.399 -42.833 -23.931 76 HB2 GLU 12 HB2 GLU 12 -14.579 -43.046 -24.812 77 HB3 GLU 12 HB3 GLU 12 -15.269 -43.607 -23.271 78 HG2 GLU 12 HG2 GLU 12 -16.915 -44.981 -24.581 79 HG3 GLU 12 HG3 GLU 12 -16.053 -44.511 -26.066 80 H ILE 13 H ILE 13 -16.225 -42.412 -21.731 81 HA ILE 13 HA ILE 13 -15.778 -39.498 -21.600 82 HB ILE 13 HB ILE 13 -17.646 -41.097 -19.755 83 HG12 ILE 13 2HG1 ILE 13 -18.403 -38.932 -21.760 84 HG13 ILE 13 3HG1 ILE 13 -18.588 -40.675 -22.064 85 HG21 ILE 13 1HG2 ILE 13 -16.991 -38.118 -19.921 86 HG22 ILE 13 2HG2 ILE 13 -18.160 -38.863 -18.803 87 HG23 ILE 13 3HG2 ILE 13 -16.426 -39.238 -18.657 88 HD11 ILE 13 3HD1 ILE 13 -20.091 -40.857 -20.117 89 HD12 ILE 13 1HD1 ILE 13 -19.906 -39.112 -19.813 90 HD13 ILE 13 2HD1 ILE 13 -20.700 -39.676 -21.303 91 H CYS 14 H CYS 14 -13.910 -39.181 -20.228 92 HA CYS 14 HA CYS 14 -13.483 -41.116 -18.039 93 HB2 CYS 14 HB2 CYS 14 -11.792 -41.702 -19.617 94 HB3 CYS 14 HB3 CYS 14 -11.255 -40.008 -19.719 95 HG CYS 14 HG CYS 14 -9.591 -41.381 -18.232 96 H ALA 15 H ALA 15 -11.029 -38.675 -18.058 97 HA ALA 15 HA ALA 15 -12.450 -37.166 -16.031 98 HB1 ALA 15 HB1 ALA 15 -9.521 -37.250 -16.787 99 HB2 ALA 15 HB2 ALA 15 -10.241 -36.306 -15.461 100 HB3 ALA 15 HB3 ALA 15 -10.282 -38.084 -15.413 101 H HIS 16 H HIS 16 -10.000 -35.898 -18.586 102 HA HIS 16 HA HIS 16 -12.119 -33.949 -19.198 103 HB2 HIS 16 HB2 HIS 16 -10.850 -31.979 -18.841 104 HB3 HIS 16 HB3 HIS 16 -11.208 -32.847 -17.330 105 HD1 HIS 16 HD1 HIS 16 -9.214 -33.802 -16.057 106 HD2 HIS 16 HD2 HIS 16 -8.215 -31.581 -19.482 107 HE1 HIS 16 HE1 HIS 16 -6.731 -33.137 -15.836 108 H SER 17 H SER 17 -12.567 -34.345 -21.139 109 HA SER 17 HA SER 17 -12.436 -34.308 -23.346 110 HB2 SER 17 HB2 SER 17 -11.091 -31.706 -22.622 111 HB3 SER 17 HB3 SER 17 -11.846 -32.104 -24.184 112 HG SER 17 HG SER 17 -13.265 -31.000 -22.759 113 H MET 18 H MET 18 -10.755 -36.326 -23.208 114 HA MET 18 HA MET 18 -8.966 -35.492 -25.386 115 HB2 MET 18 HB2 MET 18 -7.750 -36.455 -22.932 116 HB3 MET 18 HB3 MET 18 -7.140 -37.012 -24.508 117 HG2 MET 18 HG2 MET 18 -5.883 -35.097 -24.000 118 HG3 MET 18 HG3 MET 18 -7.097 -34.539 -25.176 119 HE1 MET 18 HE1 MET 18 -6.500 -32.118 -24.741 120 HE2 MET 18 HE2 MET 18 -6.416 -31.382 -23.123 121 HE3 MET 18 HE3 MET 18 -5.251 -32.645 -23.588 122 H THR 19 H THR 19 -8.154 -38.673 -24.372 123 HA THR 19 HA THR 19 -9.678 -39.699 -26.622 124 HB THR 19 HB THR 19 -6.649 -39.995 -26.510 125 HG1 THR 19 HG1 THR 19 -7.319 -37.838 -26.990 126 HG21 THR 19 1HG2 THR 19 -8.637 -40.612 -28.714 127 HG22 THR 19 2HG2 THR 19 -6.869 -40.799 -28.802 128 HG23 THR 19 3HG2 THR 19 -7.816 -41.807 -27.682 129 H PHE 20 H PHE 20 -9.483 -42.106 -26.711 130 HA PHE 20 HA PHE 20 -9.804 -43.372 -24.278 131 HB2 PHE 20 HB2 PHE 20 -10.634 -44.227 -26.482 132 HB3 PHE 20 HB3 PHE 20 -8.957 -44.477 -27.023 133 HD1 PHE 20 HD2 PHE 20 -7.630 -46.330 -26.195 134 HD2 PHE 20 HD1 PHE 20 -11.686 -45.732 -24.911 135 HE1 PHE 20 HE2 PHE 20 -7.695 -48.648 -25.314 136 HE2 PHE 20 HE1 PHE 20 -11.754 -48.047 -24.036 137 HZ PHE 20 HZ PHE 20 -9.762 -49.510 -24.241 138 H GLU 21 H GLU 21 -6.924 -43.259 -26.490 139 HA GLU 21 HA GLU 21 -5.243 -44.886 -24.948 140 HB2 GLU 21 HB2 GLU 21 -4.514 -42.669 -26.894 141 HB3 GLU 21 HB3 GLU 21 -3.434 -43.949 -26.289 142 HG2 GLU 21 HG2 GLU 21 -4.895 -45.662 -27.310 143 HG3 GLU 21 HG3 GLU 21 -5.975 -44.384 -27.914 144 H GLU 22 H GLU 22 -5.912 -41.396 -25.016 145 HA GLU 22 HA GLU 22 -3.850 -40.622 -23.220 146 HB2 GLU 22 HB2 GLU 22 -6.360 -39.203 -24.182 147 HB3 GLU 22 HB3 GLU 22 -5.051 -38.462 -23.231 148 HG2 GLU 22 HG2 GLU 22 -4.653 -39.766 -25.945 149 HG3 GLU 22 HG3 GLU 22 -4.911 -38.023 -25.698 150 H CYS 23 H CYS 23 -7.013 -42.069 -22.641 151 HA CYS 23 HA CYS 23 -7.813 -40.795 -20.364 152 HB2 CYS 23 HB2 CYS 23 -9.221 -42.433 -21.369 153 HB3 CYS 23 HB3 CYS 23 -8.010 -43.714 -21.128 154 HG CYS 23 HG CYS 23 -10.029 -44.097 -19.582 155 HA PRO 24 HA PRO 24 -5.355 -43.523 -17.387 156 HB2 PRO 24 HB2 PRO 24 -2.856 -44.384 -18.058 157 HB3 PRO 24 HB3 PRO 24 -4.314 -45.401 -18.143 158 HG2 PRO 24 HG2 PRO 24 -2.935 -43.837 -20.375 159 HG3 PRO 24 HG3 PRO 24 -3.599 -45.488 -20.435 160 HD2 PRO 24 HD2 PRO 24 -5.016 -43.382 -21.424 161 HD3 PRO 24 HD3 PRO 24 -5.829 -44.733 -20.601 162 H LYS 25 H LYS 25 -3.754 -41.289 -19.701 163 HA LYS 25 HA LYS 25 -1.861 -40.245 -17.895 164 HB2 LYS 25 HB2 LYS 25 -3.234 -38.784 -20.163 165 HB3 LYS 25 HB3 LYS 25 -1.790 -38.255 -19.267 166 HG2 LYS 25 HG2 LYS 25 -0.626 -40.355 -19.988 167 HG3 LYS 25 HG3 LYS 25 -2.051 -40.769 -20.971 168 HD2 LYS 25 HD2 LYS 25 -1.787 -38.651 -22.235 169 HD3 LYS 25 HD3 LYS 25 -0.353 -38.253 -21.259 170 HE2 LYS 25 HE2 LYS 25 0.331 -39.229 -23.404 171 HE3 LYS 25 HE3 LYS 25 0.749 -40.334 -22.071 172 HZ1 LYS 25 HZ1 LYS 25 -1.215 -41.574 -22.568 173 HZ2 LYS 25 HZ2 LYS 25 -1.606 -40.551 -23.802 174 HZ3 LYS 25 HZ3 LYS 25 -0.243 -41.474 -23.897 175 H CYS 26 H CYS 26 -5.323 -39.354 -18.723 176 HA CYS 26 HA CYS 26 -5.139 -37.873 -16.167 177 HB2 CYS 26 HB2 CYS 26 -5.177 -36.131 -17.604 178 HB3 CYS 26 HB3 CYS 26 -6.595 -36.779 -18.463 179 HG CYS 26 HG CYS 26 -7.310 -34.805 -16.926 180 H SER 27 H SER 27 -5.601 -38.894 -14.856 181 HA SER 27 HA SER 27 -8.353 -39.726 -14.419 182 HB2 SER 27 HB2 SER 27 -5.757 -41.024 -13.414 183 HB3 SER 27 HB3 SER 27 -7.398 -41.469 -12.889 184 HG SER 27 HG SER 27 -6.392 -41.599 -15.545 185 H ALA 28 H ALA 28 -6.729 -37.192 -14.399 186 HA ALA 28 HA ALA 28 -5.480 -36.601 -11.948 187 HB1 ALA 28 HB1 ALA 28 -6.328 -34.819 -14.245 188 HB2 ALA 28 HB2 ALA 28 -5.310 -34.347 -12.863 189 HB3 ALA 28 HB3 ALA 28 -4.728 -35.566 -14.021 190 H LEU 29 H LEU 29 -5.935 -34.619 -10.848 191 HA LEU 29 HA LEU 29 -8.156 -34.871 -9.273 192 HB2 LEU 29 HB2 LEU 29 -6.447 -32.391 -9.762 193 HB3 LEU 29 HB3 LEU 29 -7.492 -32.694 -8.353 194 HG LEU 29 HG LEU 29 -5.073 -34.365 -9.145 195 HD11 LEU 29 1HD1 LEU 29 -5.514 -32.343 -6.901 196 HD12 LEU 29 2HD1 LEU 29 -4.052 -33.332 -7.132 197 HD13 LEU 29 3HD1 LEU 29 -4.489 -32.095 -8.334 198 HD21 LEU 29 3HD2 LEU 29 -6.847 -34.442 -6.672 199 HD22 LEU 29 1HD2 LEU 29 -6.810 -35.665 -7.965 200 HD23 LEU 29 2HD2 LEU 29 -5.379 -35.413 -6.936 201 H GLN 30 H GLN 30 -7.748 -32.759 -12.205 202 HA GLN 30 HA GLN 30 -9.898 -31.057 -11.632 203 HB2 GLN 30 HB2 GLN 30 -8.773 -31.985 -14.304 204 HB3 GLN 30 HB3 GLN 30 -9.949 -30.673 -14.103 205 HG2 GLN 30 HG2 GLN 30 -7.208 -30.717 -12.797 206 HG3 GLN 30 HG3 GLN 30 -7.598 -29.863 -14.303 207 HE21 GLN 30 1HE2 GLN 30 -7.110 -29.312 -11.120 208 HE22 GLN 30 2HE2 GLN 30 -8.199 -27.970 -10.850 209 H TYR 31 H TYR 31 -9.996 -34.077 -13.685 210 HA TYR 31 HA TYR 31 -11.720 -35.241 -14.536 211 HB2 TYR 31 HB2 TYR 31 -11.696 -35.752 -12.020 212 HB3 TYR 31 HB3 TYR 31 -13.079 -34.658 -11.872 213 HD1 TYR 31 HD1 TYR 31 -11.842 -37.707 -13.640 214 HD2 TYR 31 HD2 TYR 31 -15.273 -35.460 -12.355 215 HE1 TYR 31 HE1 TYR 31 -13.317 -39.560 -14.369 216 HE2 TYR 31 HE2 TYR 31 -16.762 -37.306 -13.076 217 HH TYR 31 HH TYR 31 -16.887 -39.390 -14.034 218 H ARG 32 H ARG 32 -11.771 -32.509 -15.505 219 HA ARG 32 HA ARG 32 -14.247 -31.247 -15.094 220 HB2 ARG 32 HB2 ARG 32 -12.292 -30.980 -17.381 221 HB3 ARG 32 HB3 ARG 32 -13.778 -30.027 -17.195 222 HG2 ARG 32 HG2 ARG 32 -13.035 -29.341 -14.916 223 HG3 ARG 32 HG3 ARG 32 -11.493 -30.168 -15.204 224 HD2 ARG 32 HD2 ARG 32 -12.621 -27.929 -16.930 225 HD3 ARG 32 HD3 ARG 32 -11.422 -27.698 -15.647 226 HE ARG 32 HE ARG 32 -11.007 -29.085 -18.241 227 HH11 ARG 32 1HH1 ARG 32 -9.693 -27.889 -15.168 228 HH12 ARG 32 2HH1 ARG 32 -8.029 -28.020 -15.689 229 HH21 ARG 32 1HH2 ARG 32 -8.821 -29.251 -18.903 230 HH22 ARG 32 2HH2 ARG 32 -7.534 -28.793 -17.811 231 H ASN 33 H ASN 33 -13.553 -33.466 -17.920 232 HA ASN 33 HA ASN 33 -16.477 -33.428 -18.172 233 HB2 ASN 33 HB2 ASN 33 -15.633 -31.612 -19.648 234 HB3 ASN 33 HB3 ASN 33 -14.631 -32.797 -20.505 235 HD21 ASN 33 1HD2 ASN 33 -16.048 -31.771 -22.296 236 HD22 ASN 33 2HD2 ASN 33 -17.546 -32.599 -22.660 237 H GLY 34 H GLY 34 -13.648 -34.699 -20.114 238 HA2 GLY 34 HA2 GLY 34 -13.983 -37.340 -19.216 239 HA3 GLY 34 HA3 GLY 34 -14.920 -37.099 -20.705 240 H PHE 35 H PHE 35 -11.836 -37.851 -19.442 241 HA PHE 35 HA PHE 35 -10.172 -36.705 -21.417 242 HB2 PHE 35 HB2 PHE 35 -9.687 -37.697 -18.960 243 HB3 PHE 35 HB3 PHE 35 -9.200 -39.079 -19.951 244 HD1 PHE 35 HD1 PHE 35 -8.864 -35.358 -19.707 245 HD2 PHE 35 HD2 PHE 35 -7.023 -39.026 -20.903 246 HE1 PHE 35 HE1 PHE 35 -6.795 -34.116 -20.242 247 HE2 PHE 35 HE2 PHE 35 -4.900 -37.792 -21.370 248 HZ PHE 35 HZ PHE 35 -4.804 -35.344 -21.078 249 H TYR 36 H TYR 36 -12.413 -39.380 -21.606 250 HA TYR 36 HA TYR 36 -10.795 -40.594 -23.729 251 HB2 TYR 36 HB2 TYR 36 -13.626 -41.316 -22.900 252 HB3 TYR 36 HB3 TYR 36 -12.733 -42.025 -24.221 253 HD1 TYR 36 HD2 TYR 36 -11.392 -43.924 -23.934 254 HD2 TYR 36 HD1 TYR 36 -13.399 -42.127 -20.694 255 HE1 TYR 36 HE2 TYR 36 -10.704 -45.837 -22.502 256 HE2 TYR 36 HE1 TYR 36 -12.933 -44.090 -19.262 257 HH TYR 36 HH TYR 36 -11.830 -46.110 -19.107 258 H LEU 37 H LEU 37 -13.416 -38.294 -22.903 259 HA LEU 37 HA LEU 37 -15.236 -38.688 -24.955 260 HB2 LEU 37 HB2 LEU 37 -15.707 -37.543 -22.810 261 HB3 LEU 37 HB3 LEU 37 -14.751 -36.173 -23.381 262 HG LEU 37 HG LEU 37 -16.346 -35.975 -25.346 263 HD11 LEU 37 1HD1 LEU 37 -18.091 -37.763 -23.601 264 HD12 LEU 37 2HD1 LEU 37 -18.553 -36.987 -25.132 265 HD13 LEU 37 3HD1 LEU 37 -17.343 -38.289 -25.117 266 HD21 LEU 37 3HD2 LEU 37 -17.446 -35.687 -22.522 267 HD22 LEU 37 1HD2 LEU 37 -16.408 -34.516 -23.371 268 HD23 LEU 37 2HD2 LEU 37 -18.052 -34.842 -23.967 269 H LEU 38 H LEU 38 -12.580 -36.213 -25.236 270 HA LEU 38 HA LEU 38 -13.954 -35.087 -27.424 271 HB2 LEU 38 HB2 LEU 38 -12.101 -33.959 -26.262 272 HB3 LEU 38 HB3 LEU 38 -10.969 -35.139 -26.934 273 HG LEU 38 HG LEU 38 -11.595 -34.415 -29.236 274 HD11 LEU 38 1HD1 LEU 38 -13.224 -32.315 -27.742 275 HD12 LEU 38 2HD1 LEU 38 -12.859 -32.281 -29.482 276 HD13 LEU 38 3HD1 LEU 38 -13.870 -33.578 -28.818 277 HD21 LEU 38 3HD2 LEU 38 -10.722 -32.192 -27.345 278 HD22 LEU 38 1HD2 LEU 38 -9.664 -33.440 -28.047 279 HD23 LEU 38 2HD2 LEU 38 -10.438 -32.237 -29.103 280 H LYS 39 H LYS 39 -11.522 -37.793 -27.435 281 HA LYS 39 HA LYS 39 -12.434 -38.292 -30.169 282 HB2 LYS 39 HB2 LYS 39 -9.529 -38.375 -29.282 283 HB3 LYS 39 HB3 LYS 39 -10.171 -38.989 -30.818 284 HG2 LYS 39 HG2 LYS 39 -10.984 -36.696 -31.368 285 HG3 LYS 39 HG3 LYS 39 -10.229 -36.098 -29.869 286 HD2 LYS 39 HD2 LYS 39 -8.024 -36.913 -30.657 287 HD3 LYS 39 HD3 LYS 39 -8.782 -37.516 -32.151 288 HE2 LYS 39 HE2 LYS 39 -9.517 -35.209 -32.696 289 HE3 LYS 39 HE3 LYS 39 -8.730 -34.616 -31.218 290 HZ1 LYS 39 HZ1 LYS 39 -6.651 -35.404 -32.091 291 HZ2 LYS 39 HZ2 LYS 39 -7.346 -34.327 -33.128 292 HZ3 LYS 39 HZ3 LYS 39 -7.385 -35.940 -33.466 293 H TYR 40 H TYR 40 -13.017 -40.220 -30.571 294 HA TYR 40 HA TYR 40 -12.024 -42.406 -28.877 295 HB2 TYR 40 HB2 TYR 40 -14.426 -42.060 -28.651 296 HB3 TYR 40 HB3 TYR 40 -14.659 -42.197 -30.407 297 HD1 TYR 40 HD1 TYR 40 -12.988 -44.092 -27.607 298 HD2 TYR 40 HD2 TYR 40 -15.497 -44.256 -31.087 299 HE1 TYR 40 HE1 TYR 40 -13.215 -46.542 -27.318 300 HE2 TYR 40 HE2 TYR 40 -15.710 -46.714 -30.834 301 HH TYR 40 HH TYR 40 -15.131 -48.556 -29.592 302 H ASP 41 H ASP 41 -11.843 -40.637 -31.796 303 HA ASP 41 HA ASP 41 -11.127 -40.862 -33.843 304 HB2 ASP 41 HB2 ASP 41 -9.693 -43.329 -32.845 305 HB3 ASP 41 HB3 ASP 41 -9.370 -42.437 -34.347 306 H GLU 42 H GLU 42 -13.746 -41.665 -33.414 307 HA GLU 42 HA GLU 42 -14.000 -44.023 -35.148 308 HB2 GLU 42 HB2 GLU 42 -15.244 -44.173 -33.034 309 HB3 GLU 42 HB3 GLU 42 -16.097 -42.659 -33.409 310 HG2 GLU 42 HG2 GLU 42 -17.038 -43.746 -35.440 311 HG3 GLU 42 HG3 GLU 42 -16.205 -45.248 -35.013 312 H GLU 43 H GLU 43 -15.031 -43.716 -37.159 313 HA GLU 43 HA GLU 43 -15.044 -41.090 -38.268 314 HB2 GLU 43 HB2 GLU 43 -14.608 -43.052 -39.698 315 HB3 GLU 43 HB3 GLU 43 -16.234 -43.679 -39.347 316 HG2 GLU 43 HG2 GLU 43 -17.242 -41.672 -40.373 317 HG3 GLU 43 HG3 GLU 43 -15.626 -41.004 -40.674 318 H TRP 44 H TRP 44 -16.910 -39.712 -38.396 319 HA TRP 44 HA TRP 44 -19.244 -40.742 -36.936 320 HB2 TRP 44 HB2 TRP 44 -18.396 -37.885 -37.471 321 HB3 TRP 44 HB3 TRP 44 -19.884 -38.394 -36.646 322 HD1 TRP 44 HD1 TRP 44 -16.204 -37.892 -36.070 323 HE1 TRP 44 HE1 TRP 44 -15.530 -38.591 -33.715 324 HE3 TRP 44 HE3 TRP 44 -20.600 -40.054 -34.594 325 HZ2 TRP 44 HZ2 TRP 44 -16.658 -40.132 -31.580 326 HZ3 TRP 44 HZ3 TRP 44 -20.773 -41.127 -32.374 327 HH2 TRP 44 HH2 TRP 44 -18.814 -41.184 -30.851 328 H PTR 45 H PTR 45 -21.085 -41.022 -37.651 329 HA PTR 45 HA PTR 45 -22.748 -41.438 -39.051 330 HB2 PTR 45 HB2 PTR 45 -22.524 -38.502 -39.632 331 HB3 PTR 45 HB3 PTR 45 -23.946 -39.544 -39.815 332 HD1 PTR 45 HD1 PTR 45 -21.834 -37.685 -37.479 333 HD2 PTR 45 HD2 PTR 45 -25.050 -40.518 -37.798 334 HE1 PTR 45 HE1 PTR 45 -22.385 -37.314 -35.090 335 HE2 PTR 45 HE2 PTR 45 -25.619 -40.150 -35.413 336 HA PRO 46 HA PRO 46 -20.549 -41.820 -43.009 337 HB2 PRO 46 HB2 PRO 46 -19.861 -44.451 -43.057 338 HB3 PRO 46 HB3 PRO 46 -18.868 -43.232 -42.183 339 HG2 PRO 46 HG2 PRO 46 -21.013 -45.052 -41.034 340 HG3 PRO 46 HG3 PRO 46 -19.341 -44.803 -40.426 341 HD2 PRO 46 HD2 PRO 46 -21.484 -43.442 -39.395 342 HD3 PRO 46 HD3 PRO 46 -19.876 -42.669 -39.573 343 H GLU 47 H GLU 47 -22.519 -41.263 -43.838 344 HA GLU 47 HA GLU 47 -24.873 -42.744 -43.689 345 HB2 GLU 47 HB2 GLU 47 -23.968 -40.753 -45.793 346 HB3 GLU 47 HB3 GLU 47 -25.626 -41.351 -45.561 347 HG2 GLU 47 HG2 GLU 47 -25.618 -40.456 -43.246 348 HG3 GLU 47 HG3 GLU 47 -23.978 -39.824 -43.502 349 H GLU 48 H GLU 48 -22.228 -42.790 -46.161 350 HA GLU 48 HA GLU 48 -23.571 -44.414 -48.002 351 HB2 GLU 48 HB2 GLU 48 -20.593 -44.216 -47.458 352 HB3 GLU 48 HB3 GLU 48 -21.351 -45.018 -48.850 353 HG2 GLU 48 HG2 GLU 48 -22.423 -42.857 -49.479 354 HG3 GLU 48 HG3 GLU 48 -21.562 -42.064 -48.144 355 H LEU 49 H LEU 49 -21.426 -45.260 -45.192 356 HA LEU 49 HA LEU 49 -21.414 -48.040 -45.726 357 HB2 LEU 49 HB2 LEU 49 -20.978 -46.645 -43.084 358 HB3 LEU 49 HB3 LEU 49 -20.593 -48.332 -43.475 359 HG LEU 49 HG LEU 49 -19.373 -45.864 -44.793 360 HD11 LEU 49 1HD1 LEU 49 -18.196 -47.940 -42.896 361 HD12 LEU 49 2HD1 LEU 49 -17.323 -46.573 -43.627 362 HD13 LEU 49 3HD1 LEU 49 -18.628 -46.272 -42.459 363 HD21 LEU 49 3HD2 LEU 49 -18.803 -48.835 -45.180 364 HD22 LEU 49 1HD2 LEU 49 -19.483 -47.723 -46.394 365 HD23 LEU 49 2HD2 LEU 49 -17.813 -47.510 -45.834 366 H LEU 50 H LEU 50 -23.553 -45.972 -43.696 367 HA LEU 50 HA LEU 50 -25.006 -48.061 -42.515 368 HB2 LEU 50 HB2 LEU 50 -25.786 -45.197 -43.145 369 HB3 LEU 50 HB3 LEU 50 -26.774 -46.311 -42.180 370 HG LEU 50 HG LEU 50 -23.889 -45.619 -41.491 371 HD11 LEU 50 1HD1 LEU 50 -26.479 -44.432 -40.414 372 HD12 LEU 50 2HD1 LEU 50 -24.843 -44.100 -39.795 373 HD13 LEU 50 3HD1 LEU 50 -25.291 -43.588 -41.437 374 HD21 LEU 50 3HD2 LEU 50 -26.158 -46.891 -39.906 375 HD22 LEU 50 1HD2 LEU 50 -24.705 -47.723 -40.511 376 HD23 LEU 50 2HD2 LEU 50 -24.554 -46.474 -39.259 377 H TPO 51 H TPO 51 -25.512 -46.228 -45.589 378 HA TPO 51 HA TPO 51 -27.987 -47.462 -46.230 379 HB TPO 51 HB TPO 51 -27.272 -45.272 -47.114 380 HG21 TPO 51 1HG2 TPO 51 -25.261 -46.949 -48.678 381 HG22 TPO 51 2HG2 TPO 51 -25.640 -45.240 -48.996 382 HG23 TPO 51 3HG2 TPO 51 -24.877 -45.706 -47.464 383 H ASP 52 H ASP 52 -28.419 -49.216 -47.582 384 HA ASP 52 HA ASP 52 -26.459 -51.268 -47.761 385 HB2 ASP 52 HB2 ASP 52 -28.879 -51.766 -47.495 386 HB3 ASP 52 HB3 ASP 52 -29.197 -51.048 -49.087 387 H GLY 53 H GLY 53 -25.167 -51.824 -49.491 388 HA2 GLY 53 HA2 GLY 53 -25.550 -51.368 -52.138 389 HA3 GLY 53 HA3 GLY 53 -24.778 -49.880 -51.542 390 H GLU 54 H GLU 54 -23.015 -50.534 -52.987 391 HA GLU 54 HA GLU 54 -21.446 -52.846 -52.517 392 HB2 GLU 54 HB2 GLU 54 -20.779 -50.239 -53.909 393 HB3 GLU 54 HB3 GLU 54 -19.750 -51.677 -53.890 394 HG2 GLU 54 HG2 GLU 54 -22.582 -51.584 -55.005 395 HG3 GLU 54 HG3 GLU 54 -21.103 -51.458 -55.973 396 H ASP 55 H ASP 55 -19.425 -53.054 -51.535 397 HA ASP 55 HA ASP 55 -19.108 -51.680 -49.093 398 HB2 ASP 55 HB2 ASP 55 -17.100 -53.422 -50.534 399 HB3 ASP 55 HB3 ASP 55 -17.059 -52.922 -48.831 400 H ASP 56 H ASP 56 -17.356 -51.272 -52.232 401 HA ASP 56 HA ASP 56 -16.156 -48.869 -51.005 402 HB2 ASP 56 HB2 ASP 56 -14.883 -50.737 -53.044 403 HB3 ASP 56 HB3 ASP 56 -14.235 -49.162 -52.543 404 H VAL 57 H VAL 57 -15.649 -47.164 -52.506 405 HA VAL 57 HA VAL 57 -17.767 -46.475 -54.235 406 HB VAL 57 HB VAL 57 -15.021 -45.261 -53.855 407 HG11 VAL 57 1HG1 VAL 57 -17.542 -44.204 -55.205 408 HG12 VAL 57 2HG1 VAL 57 -16.080 -43.250 -54.865 409 HG13 VAL 57 3HG1 VAL 57 -16.007 -44.603 -56.011 410 HG21 VAL 57 3HG2 VAL 57 -17.765 -44.578 -52.708 411 HG22 VAL 57 1HG2 VAL 57 -16.403 -45.282 -51.805 412 HG23 VAL 57 2HG2 VAL 57 -16.276 -43.636 -52.460 413 H PHE 58 H PHE 58 -14.454 -47.795 -54.767 414 HA PHE 58 HA PHE 58 -14.482 -47.635 -57.588 415 HB2 PHE 58 HB2 PHE 58 -12.899 -49.499 -55.803 416 HB3 PHE 58 HB3 PHE 58 -12.621 -49.203 -57.526 417 HD1 PHE 58 HD1 PHE 58 -12.463 -47.707 -54.134 418 HD2 PHE 58 HD2 PHE 58 -11.521 -47.201 -58.299 419 HE1 PHE 58 HE1 PHE 58 -11.023 -45.765 -53.574 420 HE2 PHE 58 HE2 PHE 58 -10.083 -45.260 -57.737 421 HZ PHE 58 HZ PHE 58 -9.835 -44.540 -55.376 422 H ASP 59 H ASP 59 -15.999 -49.970 -55.385 423 HA ASP 59 HA ASP 59 -15.883 -52.228 -57.043 424 HB2 ASP 59 HB2 ASP 59 -17.883 -51.492 -54.908 425 HB3 ASP 59 HB3 ASP 59 -17.819 -53.049 -55.751 426 HA PRO 60 HA PRO 60 -20.051 -51.399 -58.990 427 HB2 PRO 60 HB2 PRO 60 -21.048 -48.848 -59.307 428 HB3 PRO 60 HB3 PRO 60 -21.461 -49.932 -57.931 429 HG2 PRO 60 HG2 PRO 60 -19.338 -47.768 -58.027 430 HG3 PRO 60 HG3 PRO 60 -20.572 -48.046 -56.753 431 HD2 PRO 60 HD2 PRO 60 -18.029 -48.962 -56.460 432 HD3 PRO 60 HD3 PRO 60 -19.413 -49.965 -55.947 433 H ASP 61 H ASP 61 -20.079 -51.478 -61.168 434 HA ASP 61 HA ASP 61 -19.251 -51.475 -63.230 435 HB2 ASP 61 HB2 ASP 61 -18.937 -48.501 -62.829 436 HB3 ASP 61 HB3 ASP 61 -18.989 -49.380 -64.370 437 H LEU 62 H LEU 62 -17.370 -52.431 -61.406 438 HA LEU 62 HA LEU 62 -14.886 -51.143 -62.266 439 HB2 LEU 62 HB2 LEU 62 -15.151 -51.659 -59.843 440 HB3 LEU 62 HB3 LEU 62 -15.326 -53.368 -60.245 441 HG LEU 62 HG LEU 62 -13.049 -53.356 -61.258 442 HD11 LEU 62 1HD1 LEU 62 -12.979 -50.499 -60.187 443 HD12 LEU 62 2HD1 LEU 62 -11.566 -51.405 -60.776 444 HD13 LEU 62 3HD1 LEU 62 -12.876 -50.986 -61.897 445 HD21 LEU 62 3HD2 LEU 62 -13.213 -52.285 -58.408 446 HD22 LEU 62 1HD2 LEU 62 -13.402 -53.986 -58.893 447 HD23 LEU 62 2HD2 LEU 62 -11.837 -53.169 -59.109 448 H ASP 63 H ASP 63 -13.997 -51.912 -64.077 449 HA ASP 63 HA ASP 63 -14.533 -54.718 -64.800 450 HB2 ASP 63 HB2 ASP 63 -13.828 -52.426 -66.666 451 HB3 ASP 63 HB3 ASP 63 -14.058 -54.127 -67.120 452 H MET 64 H MET 64 -12.775 -55.977 -64.796 453 HA MET 64 HA MET 64 -10.238 -54.981 -63.953 454 HB2 MET 64 HB2 MET 64 -11.076 -57.203 -63.257 455 HB3 MET 64 HB3 MET 64 -11.024 -57.749 -64.948 456 HG2 MET 64 HG2 MET 64 -8.599 -57.294 -65.023 457 HG3 MET 64 HG3 MET 64 -8.644 -56.728 -63.349 458 HE1 MET 64 HE1 MET 64 -10.615 -58.827 -61.959 459 HE2 MET 64 HE2 MET 64 -9.405 -59.968 -61.333 460 HE3 MET 64 HE3 MET 64 -9.087 -58.219 -61.280 461 H GLU 65 H GLU 65 -8.416 -54.596 -65.101 462 HA GLU 65 HA GLU 65 -8.621 -54.855 -68.026 463 HB2 GLU 65 HB2 GLU 65 -6.919 -52.948 -66.366 464 HB3 GLU 65 HB3 GLU 65 -6.850 -53.130 -68.135 465 HG2 GLU 65 HG2 GLU 65 -9.234 -52.484 -68.294 466 HG3 GLU 65 HG3 GLU 65 -9.308 -52.305 -66.531 467 H VAL 66 H VAL 66 -7.151 -56.297 -68.886 468 HA VAL 66 HA VAL 66 -5.063 -57.335 -67.084 469 HB VAL 66 HB VAL 66 -6.437 -58.664 -69.429 470 HG11 VAL 66 1HG1 VAL 66 -4.164 -59.591 -67.624 471 HG12 VAL 66 2HG1 VAL 66 -5.052 -60.630 -68.764 472 HG13 VAL 66 3HG1 VAL 66 -4.078 -59.281 -69.376 473 HG21 VAL 66 3HG2 VAL 66 -6.407 -59.250 -66.437 474 HG22 VAL 66 1HG2 VAL 66 -7.781 -58.596 -67.358 475 HG23 VAL 66 2HG2 VAL 66 -7.202 -60.244 -67.681 476 H VAL 67 H VAL 67 -2.991 -56.870 -67.771 477 HA VAL 67 HA VAL 67 -2.643 -55.273 -70.171 478 HB VAL 67 HB VAL 67 -0.456 -54.837 -69.405 479 HG11 VAL 67 1HG1 VAL 67 -2.457 -54.681 -67.113 480 HG12 VAL 67 2HG1 VAL 67 -1.001 -53.680 -67.313 481 HG13 VAL 67 3HG1 VAL 67 -2.343 -53.536 -68.471 482 HG21 VAL 67 3HG2 VAL 67 -1.044 -56.777 -67.132 483 HG22 VAL 67 1HG2 VAL 67 0.118 -57.036 -68.455 484 HG23 VAL 67 2HG2 VAL 67 0.396 -55.741 -67.273 485 H PHE 68 H PHE 68 -2.577 -58.615 -69.599 486 HA PHE 68 HA PHE 68 -1.741 -60.395 -70.660 487 HB2 PHE 68 HB2 PHE 68 -1.630 -58.679 -73.129 488 HB3 PHE 68 HB3 PHE 68 -1.644 -60.448 -73.030 489 HD1 PHE 68 HD2 PHE 68 -3.692 -61.625 -72.155 490 HD2 PHE 68 HD1 PHE 68 -3.645 -57.400 -72.950 491 HE1 PHE 68 HE2 PHE 68 -6.172 -61.588 -72.113 492 HE2 PHE 68 HE1 PHE 68 -6.124 -57.365 -72.909 493 HZ PHE 68 HZ PHE 68 -7.388 -59.458 -72.489 494 H GLU 69 H GLU 69 0.083 -59.238 -69.082 495 HA GLU 69 HA GLU 69 2.229 -59.086 -68.553 496 HB2 GLU 69 HB2 GLU 69 2.632 -61.135 -70.737 497 HB3 GLU 69 HB3 GLU 69 3.760 -60.729 -69.423 498 HG2 GLU 69 HG2 GLU 69 2.054 -61.403 -67.756 499 HG3 GLU 69 HG3 GLU 69 0.944 -61.839 -69.073 500 H THR 70 H THR 70 1.345 -56.965 -70.186 501 HA THR 70 HA THR 70 3.789 -56.457 -71.751 502 HB THR 70 HB THR 70 1.075 -55.128 -71.960 503 HG1 THR 70 HG1 THR 70 1.179 -57.245 -72.826 504 HG21 THR 70 1HG2 THR 70 3.649 -54.817 -73.565 505 HG22 THR 70 2HG2 THR 70 2.095 -54.034 -73.937 506 HG23 THR 70 3HG2 THR 70 2.967 -53.613 -72.445 507 H GLN 71 H GLN 71 5.075 -54.942 -70.689 508 HA GLN 71 HA GLN 71 3.810 -53.304 -68.595 509 HB2 GLN 71 HB2 GLN 71 5.547 -55.196 -67.918 510 HB3 GLN 71 HB3 GLN 71 6.735 -53.991 -68.448 511 HG2 GLN 71 HG2 GLN 71 6.292 -53.668 -66.079 512 HG3 GLN 71 HG3 GLN 71 5.550 -52.313 -66.957 513 HE21 GLN 71 2HE2 GLN 71 3.376 -51.933 -66.648 514 HE22 GLN 71 1HE2 GLN 71 2.275 -53.031 -65.846 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -25.454 -46.127 -22.980 2 H2 GLY 1 H2 GLY 1 -27.017 -46.632 -23.394 3 H3 GLY 1 H3 GLY 1 -26.335 -45.294 -24.169 4 HA2 GLY 1 HA3 GLY 1 -27.281 -45.491 -21.379 5 HA3 GLY 1 HA2 GLY 1 -26.216 -44.181 -21.936 6 H SER 2 H SER 2 -29.375 -45.226 -21.559 7 HA SER 2 HA SER 2 -30.712 -44.158 -23.809 8 HB2 SER 2 HB2 SER 2 -32.711 -44.312 -22.375 9 HB3 SER 2 HB3 SER 2 -31.758 -45.814 -22.324 10 HG SER 2 HG SER 2 -32.412 -45.106 -20.248 11 H THR 3 H THR 3 -29.796 -42.870 -20.580 12 HA THR 3 HA THR 3 -30.916 -40.264 -21.157 13 HB THR 3 HB THR 3 -31.079 -41.241 -18.900 14 HG1 THR 3 HG1 THR 3 -31.074 -38.984 -19.287 15 HG21 THR 3 1HG2 THR 3 -28.066 -40.803 -18.899 16 HG22 THR 3 2HG2 THR 3 -29.057 -41.236 -17.486 17 HG23 THR 3 3HG2 THR 3 -28.889 -42.380 -18.838 18 H ALA 4 H ALA 4 -29.379 -38.302 -20.767 19 HA ALA 4 HA ALA 4 -27.184 -38.679 -22.623 20 HB1 ALA 4 HB1 ALA 4 -28.061 -36.174 -21.146 21 HB2 ALA 4 HB2 ALA 4 -26.813 -36.274 -22.412 22 HB3 ALA 4 HB3 ALA 4 -28.514 -36.618 -22.809 23 H MET 5 H MET 5 -25.309 -39.444 -21.889 24 HA MET 5 HA MET 5 -24.595 -38.997 -19.083 25 HB2 MET 5 HB2 MET 5 -23.417 -40.895 -21.182 26 HB3 MET 5 HB3 MET 5 -22.856 -40.740 -19.500 27 HG2 MET 5 HG2 MET 5 -25.636 -41.620 -20.383 28 HG3 MET 5 HG3 MET 5 -24.355 -42.679 -19.748 29 HE1 MET 5 HE1 MET 5 -23.144 -40.829 -17.445 30 HE2 MET 5 HE2 MET 5 -24.045 -41.461 -16.047 31 HE3 MET 5 HE3 MET 5 -23.429 -42.579 -17.286 32 H ALA 6 H ALA 6 -23.477 -37.027 -19.085 33 HA ALA 6 HA ALA 6 -22.238 -35.269 -19.696 34 HB1 ALA 6 HB1 ALA 6 -20.321 -37.363 -20.687 35 HB2 ALA 6 HB2 ALA 6 -19.970 -35.640 -20.414 36 HB3 ALA 6 HB3 ALA 6 -20.417 -36.686 -19.044 37 H THR 7 H THR 7 -24.313 -35.543 -21.340 38 HA THR 7 HA THR 7 -25.233 -34.714 -23.166 39 HB THR 7 HB THR 7 -24.283 -33.235 -24.645 40 HG1 THR 7 HG1 THR 7 -22.225 -34.208 -24.836 41 HG21 THR 7 1HG2 THR 7 -23.325 -32.770 -21.792 42 HG22 THR 7 2HG2 THR 7 -23.569 -31.513 -23.026 43 HG23 THR 7 3HG2 THR 7 -24.960 -32.436 -22.411 44 H THR 8 H THR 8 -22.152 -36.338 -24.265 45 HA THR 8 HA THR 8 -23.941 -37.493 -26.324 46 HB THR 8 HB THR 8 -20.978 -36.967 -26.548 47 HG1 THR 8 HG1 THR 8 -21.735 -35.377 -28.029 48 HG21 THR 8 1HG2 THR 8 -23.076 -37.890 -28.557 49 HG22 THR 8 2HG2 THR 8 -21.366 -37.550 -28.916 50 HG23 THR 8 3HG2 THR 8 -21.798 -38.907 -27.849 51 H MET 9 H MET 9 -23.902 -39.647 -26.656 52 HA MET 9 HA MET 9 -22.485 -41.298 -24.689 53 HB2 MET 9 HB2 MET 9 -25.029 -41.327 -24.752 54 HB3 MET 9 HB3 MET 9 -24.900 -42.062 -26.367 55 HG2 MET 9 HG2 MET 9 -25.217 -43.771 -24.644 56 HG3 MET 9 HG3 MET 9 -23.617 -43.935 -25.408 57 HE1 MET 9 HE1 MET 9 -22.327 -45.280 -23.829 58 HE2 MET 9 HE2 MET 9 -22.495 -45.197 -22.060 59 HE3 MET 9 HE3 MET 9 -23.896 -45.634 -23.068 60 H GLU 10 H GLU 10 -21.747 -43.293 -25.217 61 HA GLU 10 HA GLU 10 -20.561 -44.864 -26.187 62 HB2 GLU 10 HB2 GLU 10 -21.438 -43.828 -28.868 63 HB3 GLU 10 HB3 GLU 10 -20.616 -45.367 -28.514 64 HG2 GLU 10 HG2 GLU 10 -22.525 -46.026 -27.061 65 HG3 GLU 10 HG3 GLU 10 -23.352 -44.509 -27.485 66 H GLN 11 H GLN 11 -19.674 -41.627 -26.449 67 HA GLN 11 HA GLN 11 -17.102 -42.441 -27.591 68 HB2 GLN 11 HB2 GLN 11 -16.652 -40.093 -27.892 69 HB3 GLN 11 HB3 GLN 11 -18.080 -40.669 -28.785 70 HG2 GLN 11 HG2 GLN 11 -19.528 -39.676 -27.048 71 HG3 GLN 11 HG3 GLN 11 -18.078 -39.040 -26.236 72 HE21 GLN 11 1HE2 GLN 11 -17.375 -37.035 -26.848 73 HE22 GLN 11 2HE2 GLN 11 -17.806 -36.233 -28.343 74 H GLU 12 H GLU 12 -18.408 -42.708 -24.669 75 HA GLU 12 HA GLU 12 -17.683 -43.078 -22.624 76 HB2 GLU 12 HB2 GLU 12 -14.982 -43.370 -23.801 77 HB3 GLU 12 HB3 GLU 12 -15.475 -43.754 -22.136 78 HG2 GLU 12 HG2 GLU 12 -17.233 -45.284 -23.076 79 HG3 GLU 12 HG3 GLU 12 -16.560 -44.983 -24.697 80 H ILE 13 H ILE 13 -16.270 -42.396 -20.641 81 HA ILE 13 HA ILE 13 -15.874 -39.483 -20.898 82 HB ILE 13 HB ILE 13 -17.480 -40.871 -18.674 83 HG12 ILE 13 2HG1 ILE 13 -18.511 -38.959 -20.810 84 HG13 ILE 13 3HG1 ILE 13 -18.693 -40.727 -20.889 85 HG21 ILE 13 1HG2 ILE 13 -16.912 -37.927 -19.256 86 HG22 ILE 13 2HG2 ILE 13 -17.927 -38.545 -17.931 87 HG23 ILE 13 3HG2 ILE 13 -16.180 -38.887 -17.948 88 HD11 ILE 13 3HD1 ILE 13 -19.955 -40.693 -18.771 89 HD12 ILE 13 1HD1 ILE 13 -19.772 -38.924 -18.692 90 HD13 ILE 13 2HD1 ILE 13 -20.723 -39.662 -20.003 91 H CYS 14 H CYS 14 -13.865 -38.995 -19.802 92 HA CYS 14 HA CYS 14 -13.145 -40.659 -17.471 93 HB2 CYS 14 HB2 CYS 14 -11.637 -41.411 -19.160 94 HB3 CYS 14 HB3 CYS 14 -11.152 -39.736 -19.518 95 HG CYS 14 HG CYS 14 -9.298 -40.915 -18.091 96 H ALA 15 H ALA 15 -10.763 -38.217 -18.059 97 HA ALA 15 HA ALA 15 -11.970 -36.494 -16.064 98 HB1 ALA 15 HB1 ALA 15 -9.148 -36.643 -17.146 99 HB2 ALA 15 HB2 ALA 15 -9.728 -35.557 -15.862 100 HB3 ALA 15 HB3 ALA 15 -9.726 -37.318 -15.605 101 H HIS 16 H HIS 16 -9.862 -35.513 -19.019 102 HA HIS 16 HA HIS 16 -12.079 -33.665 -19.595 103 HB2 HIS 16 HB2 HIS 16 -10.819 -31.657 -19.619 104 HB3 HIS 16 HB3 HIS 16 -10.980 -32.347 -17.986 105 HD1 HIS 16 HD1 HIS 16 -8.832 -33.132 -16.857 106 HD2 HIS 16 HD2 HIS 16 -8.285 -31.316 -20.608 107 HE1 HIS 16 HE1 HIS 16 -6.354 -32.427 -17.009 108 H SER 17 H SER 17 -12.741 -34.287 -21.412 109 HA SER 17 HA SER 17 -12.868 -34.505 -23.608 110 HB2 SER 17 HB2 SER 17 -11.504 -31.827 -23.351 111 HB3 SER 17 HB3 SER 17 -12.426 -32.409 -24.757 112 HG SER 17 HG SER 17 -13.693 -31.158 -23.311 113 H MET 18 H MET 18 -11.140 -36.481 -23.440 114 HA MET 18 HA MET 18 -9.635 -35.892 -25.895 115 HB2 MET 18 HB2 MET 18 -8.122 -36.554 -23.508 116 HB3 MET 18 HB3 MET 18 -7.687 -37.286 -25.070 117 HG2 MET 18 HG2 MET 18 -6.420 -35.316 -24.937 118 HG3 MET 18 HG3 MET 18 -7.775 -34.907 -26.017 119 HE1 MET 18 HE1 MET 18 -7.183 -32.447 -25.936 120 HE2 MET 18 HE2 MET 18 -6.927 -31.528 -24.434 121 HE3 MET 18 HE3 MET 18 -5.798 -32.827 -24.885 122 H THR 19 H THR 19 -8.643 -38.928 -24.627 123 HA THR 19 HA THR 19 -10.396 -40.219 -26.548 124 HB THR 19 HB THR 19 -7.369 -40.477 -26.762 125 HG1 THR 19 HG1 THR 19 -8.136 -38.396 -27.404 126 HG21 THR 19 1HG2 THR 19 -9.587 -41.361 -28.631 127 HG22 THR 19 2HG2 THR 19 -7.838 -41.544 -28.905 128 HG23 THR 19 3HG2 THR 19 -8.626 -42.422 -27.573 129 H PHE 20 H PHE 20 -10.162 -42.619 -26.384 130 HA PHE 20 HA PHE 20 -10.171 -43.596 -23.802 131 HB2 PHE 20 HB2 PHE 20 -11.233 -44.707 -25.780 132 HB3 PHE 20 HB3 PHE 20 -9.626 -45.005 -26.483 133 HD1 PHE 20 HD2 PHE 20 -8.172 -46.740 -25.611 134 HD2 PHE 20 HD1 PHE 20 -12.063 -46.028 -23.934 135 HE1 PHE 20 HE2 PHE 20 -8.085 -48.940 -24.468 136 HE2 PHE 20 HE1 PHE 20 -11.980 -48.226 -22.798 137 HZ PHE 20 HZ PHE 20 -9.995 -49.688 -23.068 138 H GLU 21 H GLU 21 -7.571 -43.719 -26.336 139 HA GLU 21 HA GLU 21 -5.688 -45.142 -24.827 140 HB2 GLU 21 HB2 GLU 21 -5.237 -43.161 -27.086 141 HB3 GLU 21 HB3 GLU 21 -4.067 -44.354 -26.471 142 HG2 GLU 21 HG2 GLU 21 -5.601 -46.186 -27.110 143 HG3 GLU 21 HG3 GLU 21 -6.770 -44.994 -27.724 144 H GLU 22 H GLU 22 -6.434 -41.690 -25.215 145 HA GLU 22 HA GLU 22 -4.194 -40.697 -23.775 146 HB2 GLU 22 HB2 GLU 22 -6.828 -39.418 -24.590 147 HB3 GLU 22 HB3 GLU 22 -5.434 -38.561 -23.892 148 HG2 GLU 22 HG2 GLU 22 -5.326 -40.169 -26.466 149 HG3 GLU 22 HG3 GLU 22 -5.591 -38.411 -26.392 150 H CYS 23 H CYS 23 -7.237 -42.090 -22.665 151 HA CYS 23 HA CYS 23 -7.793 -40.567 -20.470 152 HB2 CYS 23 HB2 CYS 23 -9.273 -42.321 -21.108 153 HB3 CYS 23 HB3 CYS 23 -8.015 -43.557 -20.867 154 HG CYS 23 HG CYS 23 -9.832 -43.772 -19.060 155 HA PRO 24 HA PRO 24 -4.948 -42.912 -17.512 156 HB2 PRO 24 HB2 PRO 24 -2.526 -43.826 -18.370 157 HB3 PRO 24 HB3 PRO 24 -3.962 -44.857 -18.166 158 HG2 PRO 24 HG2 PRO 24 -2.886 -43.553 -20.709 159 HG3 PRO 24 HG3 PRO 24 -3.517 -45.204 -20.501 160 HD2 PRO 24 HD2 PRO 24 -5.084 -43.238 -21.551 161 HD3 PRO 24 HD3 PRO 24 -5.767 -44.491 -20.488 162 H LYS 25 H LYS 25 -3.675 -40.949 -20.239 163 HA LYS 25 HA LYS 25 -1.608 -39.688 -18.801 164 HB2 LYS 25 HB2 LYS 25 -3.265 -38.511 -21.043 165 HB3 LYS 25 HB3 LYS 25 -1.739 -37.870 -20.390 166 HG2 LYS 25 HG2 LYS 25 -0.622 -40.031 -20.998 167 HG3 LYS 25 HG3 LYS 25 -2.143 -40.567 -21.752 168 HD2 LYS 25 HD2 LYS 25 -2.072 -38.609 -23.273 169 HD3 LYS 25 HD3 LYS 25 -0.543 -38.089 -22.525 170 HE2 LYS 25 HE2 LYS 25 -0.093 -39.302 -24.610 171 HE3 LYS 25 HE3 LYS 25 0.500 -40.242 -23.218 172 HZ1 LYS 25 HZ1 LYS 25 -1.481 -41.546 -23.335 173 HZ2 LYS 25 HZ2 LYS 25 -2.035 -40.676 -24.623 174 HZ3 LYS 25 HZ3 LYS 25 -0.673 -41.594 -24.772 175 H CYS 26 H CYS 26 -5.160 -38.926 -19.311 176 HA CYS 26 HA CYS 26 -4.711 -37.157 -16.981 177 HB2 CYS 26 HB2 CYS 26 -4.953 -35.594 -18.593 178 HB3 CYS 26 HB3 CYS 26 -6.447 -36.348 -19.199 179 HG CYS 26 HG CYS 26 -7.021 -34.215 -17.824 180 H SER 27 H SER 27 -4.996 -38.022 -15.517 181 HA SER 27 HA SER 27 -7.660 -38.819 -14.665 182 HB2 SER 27 HB2 SER 27 -4.938 -39.971 -13.831 183 HB3 SER 27 HB3 SER 27 -6.497 -40.365 -13.070 184 HG SER 27 HG SER 27 -5.804 -40.795 -15.793 185 H ALA 28 H ALA 28 -6.099 -36.287 -15.127 186 HA ALA 28 HA ALA 28 -4.586 -35.406 -12.924 187 HB1 ALA 28 HB1 ALA 28 -5.734 -33.909 -15.294 188 HB2 ALA 28 HB2 ALA 28 -4.572 -33.273 -14.105 189 HB3 ALA 28 HB3 ALA 28 -4.103 -34.613 -15.176 190 H LEU 29 H LEU 29 -4.951 -33.313 -12.013 191 HA LEU 29 HA LEU 29 -6.969 -33.398 -10.168 192 HB2 LEU 29 HB2 LEU 29 -5.381 -30.978 -11.135 193 HB3 LEU 29 HB3 LEU 29 -6.248 -31.123 -9.588 194 HG LEU 29 HG LEU 29 -3.903 -32.856 -10.464 195 HD11 LEU 29 1HD1 LEU 29 -4.123 -30.591 -8.430 196 HD12 LEU 29 2HD1 LEU 29 -2.677 -31.589 -8.716 197 HD13 LEU 29 3HD1 LEU 29 -3.277 -30.503 -9.992 198 HD21 LEU 29 3HD2 LEU 29 -5.375 -32.659 -7.806 199 HD22 LEU 29 1HD2 LEU 29 -5.463 -34.024 -8.945 200 HD23 LEU 29 2HD2 LEU 29 -3.927 -33.643 -8.128 201 H GLN 30 H GLN 30 -6.950 -31.620 -13.343 202 HA GLN 30 HA GLN 30 -9.080 -29.914 -12.651 203 HB2 GLN 30 HB2 GLN 30 -8.194 -30.908 -15.371 204 HB3 GLN 30 HB3 GLN 30 -9.338 -29.586 -15.072 205 HG2 GLN 30 HG2 GLN 30 -6.467 -29.632 -14.069 206 HG3 GLN 30 HG3 GLN 30 -7.024 -28.786 -15.525 207 HE21 GLN 30 1HE2 GLN 30 -6.192 -28.240 -12.403 208 HE22 GLN 30 2HE2 GLN 30 -7.222 -26.874 -12.033 209 H TYR 31 H TYR 31 -9.328 -33.108 -14.367 210 HA TYR 31 HA TYR 31 -11.140 -34.330 -14.941 211 HB2 TYR 31 HB2 TYR 31 -12.306 -33.423 -12.299 212 HB3 TYR 31 HB3 TYR 31 -12.832 -34.797 -13.283 213 HD1 TYR 31 HD2 TYR 31 -11.111 -36.663 -13.746 214 HD2 TYR 31 HD1 TYR 31 -10.667 -33.716 -10.649 215 HE1 TYR 31 HE2 TYR 31 -9.525 -38.158 -12.562 216 HE2 TYR 31 HE1 TYR 31 -9.081 -35.198 -9.453 217 HH TYR 31 HH TYR 31 -8.178 -38.433 -10.725 218 H ARG 32 H ARG 32 -11.243 -31.697 -16.211 219 HA ARG 32 HA ARG 32 -13.686 -30.397 -15.764 220 HB2 ARG 32 HB2 ARG 32 -11.809 -30.380 -18.124 221 HB3 ARG 32 HB3 ARG 32 -13.325 -29.459 -18.069 222 HG2 ARG 32 HG2 ARG 32 -12.618 -28.414 -15.939 223 HG3 ARG 32 HG3 ARG 32 -11.061 -29.257 -16.051 224 HD2 ARG 32 HD2 ARG 32 -12.160 -27.362 -18.167 225 HD3 ARG 32 HD3 ARG 32 -11.031 -26.877 -16.892 226 HE ARG 32 HE ARG 32 -10.452 -28.726 -19.154 227 HH11 ARG 32 1HH1 ARG 32 -9.336 -26.786 -16.399 228 HH12 ARG 32 2HH1 ARG 32 -7.645 -26.940 -16.819 229 HH21 ARG 32 1HH2 ARG 32 -8.231 -28.920 -19.683 230 HH22 ARG 32 2HH2 ARG 32 -7.017 -28.152 -18.685 231 H ASN 33 H ASN 33 -13.263 -32.959 -18.343 232 HA ASN 33 HA ASN 33 -16.208 -32.886 -18.410 233 HB2 ASN 33 HB2 ASN 33 -14.486 -32.930 -20.914 234 HB3 ASN 33 HB3 ASN 33 -16.245 -33.171 -20.845 235 HD21 ASN 33 1HD2 ASN 33 -13.684 -30.875 -21.032 236 HD22 ASN 33 2HD2 ASN 33 -14.640 -29.422 -20.838 237 H GLY 34 H GLY 34 -13.759 -34.626 -20.433 238 HA2 GLY 34 HA2 GLY 34 -13.827 -37.020 -18.959 239 HA3 GLY 34 HA3 GLY 34 -14.927 -37.092 -20.358 240 H PHE 35 H PHE 35 -11.744 -37.702 -19.431 241 HA PHE 35 HA PHE 35 -10.339 -36.666 -21.678 242 HB2 PHE 35 HB2 PHE 35 -9.520 -37.369 -19.216 243 HB3 PHE 35 HB3 PHE 35 -9.114 -38.845 -20.101 244 HD1 PHE 35 HD1 PHE 35 -8.875 -35.114 -20.333 245 HD2 PHE 35 HD2 PHE 35 -7.071 -38.865 -21.295 246 HE1 PHE 35 HE1 PHE 35 -6.919 -33.909 -21.245 247 HE2 PHE 35 HE2 PHE 35 -5.055 -37.661 -22.156 248 HZ PHE 35 HZ PHE 35 -5.000 -35.193 -22.163 249 H TYR 36 H TYR 36 -12.512 -39.371 -21.312 250 HA TYR 36 HA TYR 36 -11.133 -40.785 -23.482 251 HB2 TYR 36 HB2 TYR 36 -13.826 -41.459 -22.259 252 HB3 TYR 36 HB3 TYR 36 -13.046 -42.310 -23.565 253 HD1 TYR 36 HD1 TYR 36 -13.359 -41.954 -20.014 254 HD2 TYR 36 HD2 TYR 36 -11.655 -44.166 -23.167 255 HE1 TYR 36 HE1 TYR 36 -12.740 -43.718 -18.387 256 HE2 TYR 36 HE2 TYR 36 -10.835 -45.885 -21.579 257 HH TYR 36 HH TYR 36 -11.630 -45.708 -18.082 258 H LEU 37 H LEU 37 -13.670 -38.427 -22.593 259 HA LEU 37 HA LEU 37 -15.757 -39.018 -24.292 260 HB2 LEU 37 HB2 LEU 37 -15.858 -37.629 -22.250 261 HB3 LEU 37 HB3 LEU 37 -14.974 -36.361 -23.107 262 HG LEU 37 HG LEU 37 -16.836 -36.231 -24.777 263 HD11 LEU 37 1HD1 LEU 37 -18.303 -37.932 -22.711 264 HD12 LEU 37 2HD1 LEU 37 -19.012 -37.185 -24.161 265 HD13 LEU 37 3HD1 LEU 37 -17.822 -38.496 -24.322 266 HD21 LEU 37 3HD2 LEU 37 -17.507 -35.777 -21.836 267 HD22 LEU 37 1HD2 LEU 37 -16.581 -34.670 -22.878 268 HD23 LEU 37 2HD2 LEU 37 -18.300 -34.981 -23.216 269 H LEU 38 H LEU 38 -13.202 -36.546 -25.287 270 HA LEU 38 HA LEU 38 -14.913 -35.970 -27.464 271 HB2 LEU 38 HB2 LEU 38 -11.974 -35.531 -27.440 272 HB3 LEU 38 HB3 LEU 38 -13.113 -35.052 -28.711 273 HG LEU 38 HG LEU 38 -13.160 -34.118 -25.817 274 HD11 LEU 38 1HD1 LEU 38 -12.608 -32.680 -28.452 275 HD12 LEU 38 2HD1 LEU 38 -12.602 -31.933 -26.840 276 HD13 LEU 38 3HD1 LEU 38 -11.375 -33.149 -27.265 277 HD21 LEU 38 3HD2 LEU 38 -14.997 -33.458 -28.160 278 HD22 LEU 38 1HD2 LEU 38 -15.462 -34.238 -26.627 279 HD23 LEU 38 2HD2 LEU 38 -14.939 -32.546 -26.634 280 H LYS 39 H LYS 39 -12.444 -38.599 -27.273 281 HA LYS 39 HA LYS 39 -13.736 -39.481 -29.748 282 HB2 LYS 39 HB2 LYS 39 -11.786 -38.143 -30.477 283 HB3 LYS 39 HB3 LYS 39 -10.717 -39.185 -29.513 284 HG2 LYS 39 HG2 LYS 39 -11.329 -41.129 -30.852 285 HG3 LYS 39 HG3 LYS 39 -12.572 -40.193 -31.712 286 HD2 LYS 39 HD2 LYS 39 -10.600 -40.397 -33.120 287 HD3 LYS 39 HD3 LYS 39 -10.778 -38.703 -32.614 288 HE2 LYS 39 HE2 LYS 39 -9.108 -39.059 -30.828 289 HE3 LYS 39 HE3 LYS 39 -8.958 -40.764 -31.298 290 HZ1 LYS 39 HZ1 LYS 39 -8.315 -38.458 -32.996 291 HZ2 LYS 39 HZ2 LYS 39 -8.175 -40.042 -33.434 292 HZ3 LYS 39 HZ3 LYS 39 -7.223 -39.431 -32.233 293 H TYR 40 H TYR 40 -14.256 -41.501 -29.816 294 HA TYR 40 HA TYR 40 -12.804 -43.381 -28.079 295 HB2 TYR 40 HB2 TYR 40 -15.173 -43.069 -27.401 296 HB3 TYR 40 HB3 TYR 40 -15.687 -43.616 -29.005 297 HD1 TYR 40 HD1 TYR 40 -13.266 -44.708 -26.342 298 HD2 TYR 40 HD2 TYR 40 -16.405 -45.837 -29.050 299 HE1 TYR 40 HE1 TYR 40 -13.121 -47.051 -25.527 300 HE2 TYR 40 HE2 TYR 40 -16.282 -48.173 -28.228 301 HH TYR 40 HH TYR 40 -13.948 -49.168 -25.683 302 H ASP 41 H ASP 41 -12.846 -42.156 -31.115 303 HA ASP 41 HA ASP 41 -12.241 -42.765 -33.151 304 HB2 ASP 41 HB2 ASP 41 -11.356 -45.404 -31.935 305 HB3 ASP 41 HB3 ASP 41 -10.952 -44.791 -33.548 306 H GLU 42 H GLU 42 -15.034 -43.183 -32.266 307 HA GLU 42 HA GLU 42 -15.728 -45.495 -33.937 308 HB2 GLU 42 HB2 GLU 42 -16.778 -45.417 -31.709 309 HB3 GLU 42 HB3 GLU 42 -17.494 -43.845 -32.100 310 HG2 GLU 42 HG2 GLU 42 -18.763 -44.861 -33.947 311 HG3 GLU 42 HG3 GLU 42 -18.003 -46.434 -33.621 312 H GLU 43 H GLU 43 -16.623 -45.148 -35.957 313 HA GLU 43 HA GLU 43 -16.542 -42.525 -37.060 314 HB2 GLU 43 HB2 GLU 43 -17.692 -45.129 -38.146 315 HB3 GLU 43 HB3 GLU 43 -17.544 -43.611 -39.054 316 HG2 GLU 43 HG2 GLU 43 -15.090 -43.658 -38.736 317 HG3 GLU 43 HG3 GLU 43 -15.235 -45.181 -37.837 318 H TRP 44 H TRP 44 -18.237 -41.074 -37.180 319 HA TRP 44 HA TRP 44 -20.880 -42.020 -36.269 320 HB2 TRP 44 HB2 TRP 44 -19.571 -39.334 -35.828 321 HB3 TRP 44 HB3 TRP 44 -21.306 -39.614 -35.691 322 HD1 TRP 44 HD1 TRP 44 -18.033 -40.390 -33.895 323 HE1 TRP 44 HE1 TRP 44 -18.539 -41.134 -31.510 324 HE3 TRP 44 HE3 TRP 44 -23.120 -40.725 -34.238 325 HZ2 TRP 44 HZ2 TRP 44 -20.877 -41.798 -29.934 326 HZ3 TRP 44 HZ3 TRP 44 -24.462 -41.393 -32.274 327 HH2 TRP 44 HH2 TRP 44 -23.357 -41.934 -30.121 328 H PTR 45 H PTR 45 -22.549 -41.788 -37.519 329 HA PTR 45 HA PTR 45 -23.760 -41.489 -39.355 330 HB2 PTR 45 HB2 PTR 45 -22.966 -38.621 -39.009 331 HB3 PTR 45 HB3 PTR 45 -24.330 -39.253 -39.945 332 HD1 PTR 45 HD1 PTR 45 -23.040 -38.541 -36.582 333 HD2 PTR 45 HD2 PTR 45 -26.261 -40.292 -38.824 334 HE1 PTR 45 HE1 PTR 45 -24.451 -38.538 -34.542 335 HE2 PTR 45 HE2 PTR 45 -27.685 -40.292 -36.796 336 HA PRO 46 HA PRO 46 -20.527 -41.439 -42.562 337 HB2 PRO 46 HB2 PRO 46 -20.026 -44.075 -42.995 338 HB3 PRO 46 HB3 PRO 46 -19.252 -43.193 -41.633 339 HG2 PRO 46 HG2 PRO 46 -21.759 -44.909 -41.549 340 HG3 PRO 46 HG3 PRO 46 -20.323 -45.003 -40.473 341 HD2 PRO 46 HD2 PRO 46 -22.579 -43.598 -39.789 342 HD3 PRO 46 HD3 PRO 46 -20.939 -43.037 -39.334 343 H GLU 47 H GLU 47 -22.370 -40.496 -43.633 344 HA GLU 47 HA GLU 47 -24.635 -41.933 -44.435 345 HB2 GLU 47 HB2 GLU 47 -23.437 -39.417 -45.608 346 HB3 GLU 47 HB3 GLU 47 -25.060 -40.066 -45.934 347 HG2 GLU 47 HG2 GLU 47 -25.600 -39.908 -43.515 348 HG3 GLU 47 HG3 GLU 47 -23.995 -39.217 -43.207 349 H GLU 48 H GLU 48 -21.494 -41.343 -46.114 350 HA GLU 48 HA GLU 48 -22.231 -42.423 -48.573 351 HB2 GLU 48 HB2 GLU 48 -19.502 -42.595 -47.250 352 HB3 GLU 48 HB3 GLU 48 -19.870 -42.885 -48.961 353 HG2 GLU 48 HG2 GLU 48 -20.700 -40.539 -49.148 354 HG3 GLU 48 HG3 GLU 48 -20.211 -40.257 -47.465 355 H LEU 49 H LEU 49 -20.897 -44.043 -45.584 356 HA LEU 49 HA LEU 49 -20.662 -46.602 -46.788 357 HB2 LEU 49 HB2 LEU 49 -20.908 -45.935 -43.861 358 HB3 LEU 49 HB3 LEU 49 -20.400 -47.477 -44.573 359 HG LEU 49 HG LEU 49 -18.954 -44.807 -44.866 360 HD11 LEU 49 1HD1 LEU 49 -18.209 -47.368 -43.388 361 HD12 LEU 49 2HD1 LEU 49 -17.218 -45.894 -43.497 362 HD13 LEU 49 3HD1 LEU 49 -18.766 -45.863 -42.622 363 HD21 LEU 49 3HD2 LEU 49 -18.252 -47.587 -45.905 364 HD22 LEU 49 1HD2 LEU 49 -18.642 -46.157 -46.891 365 HD23 LEU 49 2HD2 LEU 49 -17.160 -46.184 -45.921 366 H LEU 50 H LEU 50 -23.310 -45.001 -44.958 367 HA LEU 50 HA LEU 50 -24.945 -47.252 -44.672 368 HB2 LEU 50 HB2 LEU 50 -25.633 -44.301 -44.929 369 HB3 LEU 50 HB3 LEU 50 -26.815 -45.562 -44.524 370 HG LEU 50 HG LEU 50 -24.275 -45.085 -42.911 371 HD11 LEU 50 1HD1 LEU 50 -27.103 -44.064 -42.419 372 HD12 LEU 50 2HD1 LEU 50 -25.726 -43.904 -41.301 373 HD13 LEU 50 3HD1 LEU 50 -25.699 -43.067 -42.869 374 HD21 LEU 50 3HD2 LEU 50 -26.864 -46.580 -42.324 375 HD22 LEU 50 1HD2 LEU 50 -25.275 -47.318 -42.638 376 HD23 LEU 50 2HD2 LEU 50 -25.525 -46.343 -41.178 377 H TPO 51 H TPO 51 -24.680 -44.786 -47.299 378 HA TPO 51 HA TPO 51 -26.836 -45.844 -48.837 379 HB TPO 51 HB TPO 51 -26.000 -43.464 -48.842 380 HG21 TPO 51 1HG2 TPO 51 -23.769 -44.734 -50.488 381 HG22 TPO 51 2HG2 TPO 51 -24.108 -42.989 -50.400 382 HG23 TPO 51 3HG2 TPO 51 -23.581 -43.861 -48.948 383 H ASP 52 H ASP 52 -26.720 -47.012 -50.805 384 HA ASP 52 HA ASP 52 -24.777 -49.073 -50.936 385 HB2 ASP 52 HB2 ASP 52 -27.098 -49.428 -51.734 386 HB3 ASP 52 HB3 ASP 52 -26.867 -48.185 -52.979 387 H GLY 53 H GLY 53 -22.957 -49.197 -52.231 388 HA2 GLY 53 HA2 GLY 53 -22.399 -47.896 -54.541 389 HA3 GLY 53 HA3 GLY 53 -21.897 -46.761 -53.266 390 H GLU 54 H GLU 54 -19.778 -47.110 -54.220 391 HA GLU 54 HA GLU 54 -18.388 -49.565 -54.084 392 HB2 GLU 54 HB2 GLU 54 -17.442 -46.688 -54.294 393 HB3 GLU 54 HB3 GLU 54 -16.386 -48.110 -54.369 394 HG2 GLU 54 HG2 GLU 54 -18.697 -47.580 -56.272 395 HG3 GLU 54 HG3 GLU 54 -16.989 -47.251 -56.619 396 H ASP 55 H ASP 55 -16.677 -50.177 -52.732 397 HA ASP 55 HA ASP 55 -17.154 -49.882 -49.988 398 HB2 ASP 55 HB2 ASP 55 -14.653 -50.852 -51.430 399 HB3 ASP 55 HB3 ASP 55 -15.033 -51.099 -49.714 400 H ASP 56 H ASP 56 -14.630 -48.355 -52.096 401 HA ASP 56 HA ASP 56 -13.909 -46.714 -49.746 402 HB2 ASP 56 HB2 ASP 56 -12.154 -47.488 -52.111 403 HB3 ASP 56 HB3 ASP 56 -11.702 -46.389 -50.796 404 H VAL 57 H VAL 57 -13.145 -44.597 -50.143 405 HA VAL 57 HA VAL 57 -14.783 -42.999 -51.750 406 HB VAL 57 HB VAL 57 -12.144 -42.424 -50.352 407 HG11 VAL 57 1HG1 VAL 57 -14.260 -40.555 -51.509 408 HG12 VAL 57 2HG1 VAL 57 -12.885 -40.051 -50.498 409 HG13 VAL 57 3HG1 VAL 57 -12.594 -40.750 -52.104 410 HG21 VAL 57 3HG2 VAL 57 -15.057 -41.954 -49.564 411 HG22 VAL 57 1HG2 VAL 57 -13.964 -43.161 -48.845 412 HG23 VAL 57 2HG2 VAL 57 -13.635 -41.428 -48.633 413 H PHE 58 H PHE 58 -11.414 -44.277 -52.181 414 HA PHE 58 HA PHE 58 -11.101 -42.788 -54.648 415 HB2 PHE 58 HB2 PHE 58 -8.935 -43.851 -54.854 416 HB3 PHE 58 HB3 PHE 58 -9.145 -42.947 -53.348 417 HD1 PHE 58 HD1 PHE 58 -9.070 -46.375 -54.799 418 HD2 PHE 58 HD2 PHE 58 -8.994 -43.999 -51.218 419 HE1 PHE 58 HE1 PHE 58 -8.462 -48.385 -53.478 420 HE2 PHE 58 HE2 PHE 58 -8.383 -46.007 -49.899 421 HZ PHE 58 HZ PHE 58 -8.119 -48.201 -51.027 422 H ASP 59 H ASP 59 -12.730 -45.762 -53.966 423 HA ASP 59 HA ASP 59 -11.965 -47.202 -56.249 424 HB2 ASP 59 HB2 ASP 59 -14.536 -47.280 -54.681 425 HB3 ASP 59 HB3 ASP 59 -14.173 -48.326 -56.061 426 HA PRO 60 HA PRO 60 -15.613 -45.356 -58.658 427 HB2 PRO 60 HB2 PRO 60 -15.838 -42.583 -57.500 428 HB3 PRO 60 HB3 PRO 60 -17.140 -43.624 -58.172 429 HG2 PRO 60 HG2 PRO 60 -16.867 -43.340 -55.486 430 HG3 PRO 60 HG3 PRO 60 -17.186 -44.960 -56.195 431 HD2 PRO 60 HD2 PRO 60 -14.542 -43.799 -55.309 432 HD3 PRO 60 HD3 PRO 60 -15.220 -45.422 -54.979 433 H ASP 61 H ASP 61 -14.968 -44.718 -60.642 434 HA ASP 61 HA ASP 61 -13.602 -44.096 -62.277 435 HB2 ASP 61 HB2 ASP 61 -13.724 -41.400 -60.943 436 HB3 ASP 61 HB3 ASP 61 -13.295 -41.755 -62.629 437 H LEU 62 H LEU 62 -12.169 -45.578 -60.473 438 HA LEU 62 HA LEU 62 -9.726 -44.104 -59.952 439 HB2 LEU 62 HB2 LEU 62 -10.645 -45.723 -58.287 440 HB3 LEU 62 HB3 LEU 62 -10.473 -47.014 -59.475 441 HG LEU 62 HG LEU 62 -8.013 -46.587 -59.563 442 HD11 LEU 62 1HD1 LEU 62 -8.619 -44.696 -57.245 443 HD12 LEU 62 2HD1 LEU 62 -6.999 -45.224 -57.749 444 HD13 LEU 62 3HD1 LEU 62 -7.981 -44.227 -58.840 445 HD21 LEU 62 3HD2 LEU 62 -9.218 -47.137 -56.818 446 HD22 LEU 62 1HD2 LEU 62 -8.952 -48.328 -58.111 447 HD23 LEU 62 2HD2 LEU 62 -7.562 -47.559 -57.313 448 H ASP 63 H ASP 63 -8.106 -43.969 -61.400 449 HA ASP 63 HA ASP 63 -8.093 -45.933 -63.588 450 HB2 ASP 63 HB2 ASP 63 -6.753 -43.198 -63.434 451 HB3 ASP 63 HB3 ASP 63 -6.651 -44.338 -64.792 452 H MET 64 H MET 64 -6.544 -47.490 -63.221 453 HA MET 64 HA MET 64 -4.287 -46.839 -61.458 454 HB2 MET 64 HB2 MET 64 -5.553 -49.542 -62.127 455 HB3 MET 64 HB3 MET 64 -4.085 -49.309 -61.156 456 HG2 MET 64 HG2 MET 64 -6.881 -48.300 -60.516 457 HG3 MET 64 HG3 MET 64 -6.028 -49.615 -59.702 458 HE1 MET 64 HE1 MET 64 -3.033 -48.276 -59.584 459 HE2 MET 64 HE2 MET 64 -3.097 -47.686 -57.909 460 HE3 MET 64 HE3 MET 64 -3.790 -49.273 -58.318 461 H GLU 65 H GLU 65 -2.329 -46.825 -62.521 462 HA GLU 65 HA GLU 65 -2.265 -48.084 -65.190 463 HB2 GLU 65 HB2 GLU 65 -0.627 -45.741 -64.166 464 HB3 GLU 65 HB3 GLU 65 -0.392 -46.575 -65.720 465 HG2 GLU 65 HG2 GLU 65 -2.692 -45.991 -66.395 466 HG3 GLU 65 HG3 GLU 65 -2.961 -45.192 -64.836 467 H VAL 66 H VAL 66 -1.144 -49.977 -65.112 468 HA VAL 66 HA VAL 66 0.849 -50.271 -62.958 469 HB VAL 66 HB VAL 66 -0.764 -52.420 -64.349 470 HG11 VAL 66 1HG1 VAL 66 1.381 -52.550 -62.186 471 HG12 VAL 66 2HG1 VAL 66 0.365 -53.914 -62.708 472 HG13 VAL 66 3HG1 VAL 66 1.513 -53.182 -63.844 473 HG21 VAL 66 3HG2 VAL 66 -0.763 -51.367 -61.487 474 HG22 VAL 66 1HG2 VAL 66 -2.055 -51.127 -62.687 475 HG23 VAL 66 2HG2 VAL 66 -1.701 -52.759 -62.079 476 H VAL 67 H VAL 67 2.852 -50.404 -63.631 477 HA VAL 67 HA VAL 67 3.679 -50.196 -66.323 478 HB VAL 67 HB VAL 67 5.915 -50.334 -65.522 479 HG11 VAL 67 1HG1 VAL 67 4.102 -48.547 -63.844 480 HG12 VAL 67 2HG1 VAL 67 5.831 -48.281 -64.162 481 HG13 VAL 67 3HG1 VAL 67 4.660 -48.202 -65.499 482 HG21 VAL 67 3HG2 VAL 67 4.636 -50.761 -62.786 483 HG22 VAL 67 1HG2 VAL 67 5.610 -51.953 -63.676 484 HG23 VAL 67 2HG2 VAL 67 6.361 -50.455 -63.093 485 H PHE 68 H PHE 68 3.367 -53.052 -64.203 486 HA PHE 68 HA PHE 68 3.682 -55.227 -64.534 487 HB2 PHE 68 HB2 PHE 68 3.506 -54.722 -67.503 488 HB3 PHE 68 HB3 PHE 68 3.429 -56.282 -66.677 489 HD1 PHE 68 HD2 PHE 68 1.510 -56.749 -65.090 490 HD2 PHE 68 HD1 PHE 68 1.567 -53.369 -67.745 491 HE1 PHE 68 HE2 PHE 68 -0.948 -56.513 -64.843 492 HE2 PHE 68 HE1 PHE 68 -0.890 -53.133 -67.498 493 HZ PHE 68 HZ PHE 68 -2.148 -54.706 -66.049 494 H GLU 69 H GLU 69 5.921 -53.529 -64.141 495 HA GLU 69 HA GLU 69 8.124 -53.414 -64.136 496 HB2 GLU 69 HB2 GLU 69 7.963 -56.386 -64.675 497 HB3 GLU 69 HB3 GLU 69 9.357 -55.489 -64.035 498 HG2 GLU 69 HG2 GLU 69 7.997 -54.775 -62.087 499 HG3 GLU 69 HG3 GLU 69 6.621 -55.707 -62.713 500 H THR 70 H THR 70 6.956 -52.584 -66.612 501 HA THR 70 HA THR 70 9.210 -53.253 -68.379 502 HB THR 70 HB THR 70 6.362 -52.600 -69.156 503 HG1 THR 70 HG1 THR 70 6.455 -54.757 -69.923 504 HG21 THR 70 1HG2 THR 70 8.844 -53.276 -70.796 505 HG22 THR 70 2HG2 THR 70 7.197 -53.095 -71.445 506 HG23 THR 70 3HG2 THR 70 8.028 -51.695 -70.736 507 H GLN 71 H GLN 71 10.338 -51.444 -69.060 508 HA GLN 71 HA GLN 71 9.429 -48.866 -68.009 509 HB2 GLN 71 HB2 GLN 71 11.677 -48.032 -68.630 510 HB3 GLN 71 HB3 GLN 71 11.717 -49.358 -67.449 511 HG2 GLN 71 HG2 GLN 71 12.071 -50.950 -69.415 512 HG3 GLN 71 HG3 GLN 71 12.354 -49.511 -70.416 513 HE21 GLN 71 2HE2 GLN 71 14.181 -48.126 -69.904 514 HE22 GLN 71 1HE2 GLN 71 15.541 -48.753 -68.999 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -25.212 -46.587 -23.075 2 H2 GLY 1 H2 GLY 1 -26.758 -47.146 -23.482 3 H3 GLY 1 H3 GLY 1 -26.085 -45.848 -24.329 4 HA2 GLY 1 HA3 GLY 1 -27.077 -45.887 -21.547 5 HA3 GLY 1 HA2 GLY 1 -26.025 -44.595 -22.169 6 H SER 2 H SER 2 -29.171 -45.672 -21.779 7 HA SER 2 HA SER 2 -30.487 -44.771 -24.113 8 HB2 SER 2 HB2 SER 2 -32.508 -44.872 -22.706 9 HB3 SER 2 HB3 SER 2 -31.530 -46.351 -22.545 10 HG SER 2 HG SER 2 -32.233 -45.526 -20.529 11 H THR 3 H THR 3 -29.651 -43.267 -20.958 12 HA THR 3 HA THR 3 -30.806 -40.724 -21.716 13 HB THR 3 HB THR 3 -30.992 -41.561 -19.405 14 HG1 THR 3 HG1 THR 3 -31.019 -39.332 -19.933 15 HG21 THR 3 1HG2 THR 3 -27.987 -41.068 -19.381 16 HG22 THR 3 2HG2 THR 3 -28.996 -41.429 -17.960 17 HG23 THR 3 3HG2 THR 3 -28.784 -42.652 -19.235 18 H ALA 4 H ALA 4 -29.310 -38.713 -21.425 19 HA ALA 4 HA ALA 4 -27.076 -39.165 -23.216 20 HB1 ALA 4 HB1 ALA 4 -28.022 -36.589 -21.915 21 HB2 ALA 4 HB2 ALA 4 -26.751 -36.745 -23.151 22 HB3 ALA 4 HB3 ALA 4 -28.438 -37.145 -23.554 23 H MET 5 H MET 5 -25.201 -39.848 -22.405 24 HA MET 5 HA MET 5 -24.546 -39.213 -19.621 25 HB2 MET 5 HB2 MET 5 -23.297 -41.217 -21.576 26 HB3 MET 5 HB3 MET 5 -22.770 -40.946 -19.898 27 HG2 MET 5 HG2 MET 5 -25.518 -41.931 -20.771 28 HG3 MET 5 HG3 MET 5 -24.230 -42.925 -20.049 29 HE1 MET 5 HE1 MET 5 -23.092 -40.912 -17.847 30 HE2 MET 5 HE2 MET 5 -24.007 -41.472 -16.427 31 HE3 MET 5 HE3 MET 5 -23.350 -42.653 -17.583 32 H ALA 6 H ALA 6 -23.461 -37.227 -19.729 33 HA ALA 6 HA ALA 6 -22.242 -35.488 -20.428 34 HB1 ALA 6 HB1 ALA 6 -20.272 -37.604 -21.254 35 HB2 ALA 6 HB2 ALA 6 -19.956 -35.861 -21.083 36 HB3 ALA 6 HB3 ALA 6 -20.409 -36.827 -19.658 37 H THR 7 H THR 7 -24.283 -35.902 -22.086 38 HA THR 7 HA THR 7 -25.185 -35.207 -23.975 39 HB THR 7 HB THR 7 -24.234 -33.806 -25.529 40 HG1 THR 7 HG1 THR 7 -22.157 -34.751 -25.624 41 HG21 THR 7 1HG2 THR 7 -23.336 -33.146 -22.695 42 HG22 THR 7 2HG2 THR 7 -23.579 -31.973 -24.010 43 HG23 THR 7 3HG2 THR 7 -24.964 -32.881 -23.361 44 H THR 8 H THR 8 -22.058 -36.840 -24.919 45 HA THR 8 HA THR 8 -23.789 -38.154 -26.931 46 HB THR 8 HB THR 8 -20.832 -37.588 -27.137 47 HG1 THR 8 HG1 THR 8 -21.590 -36.109 -28.728 48 HG21 THR 8 1HG2 THR 8 -22.877 -38.674 -29.120 49 HG22 THR 8 2HG2 THR 8 -21.168 -38.326 -29.471 50 HG23 THR 8 3HG2 THR 8 -21.595 -39.621 -28.327 51 H MET 9 H MET 9 -23.706 -40.324 -27.125 52 HA MET 9 HA MET 9 -22.297 -41.821 -25.035 53 HB2 MET 9 HB2 MET 9 -24.838 -41.901 -25.138 54 HB3 MET 9 HB3 MET 9 -24.668 -42.733 -26.702 55 HG2 MET 9 HG2 MET 9 -24.985 -44.337 -24.879 56 HG3 MET 9 HG3 MET 9 -23.370 -44.519 -25.606 57 HE1 MET 9 HE1 MET 9 -22.085 -45.738 -23.924 58 HE2 MET 9 HE2 MET 9 -22.286 -45.547 -22.166 59 HE3 MET 9 HE3 MET 9 -23.660 -46.073 -23.168 60 H GLU 10 H GLU 10 -21.515 -43.831 -25.424 61 HA GLU 10 HA GLU 10 -20.284 -45.438 -26.273 62 HB2 GLU 10 HB2 GLU 10 -21.132 -44.589 -29.028 63 HB3 GLU 10 HB3 GLU 10 -20.289 -46.087 -28.564 64 HG2 GLU 10 HG2 GLU 10 -22.212 -46.689 -27.105 65 HG3 GLU 10 HG3 GLU 10 -23.058 -45.217 -27.638 66 H GLN 11 H GLN 11 -19.449 -42.208 -26.723 67 HA GLN 11 HA GLN 11 -16.844 -43.044 -27.769 68 HB2 GLN 11 HB2 GLN 11 -16.430 -40.713 -28.210 69 HB3 GLN 11 HB3 GLN 11 -17.831 -41.369 -29.089 70 HG2 GLN 11 HG2 GLN 11 -19.327 -40.296 -27.442 71 HG3 GLN 11 HG3 GLN 11 -17.902 -39.584 -26.648 72 HE21 GLN 11 1HE2 GLN 11 -17.224 -37.609 -27.373 73 HE22 GLN 11 2HE2 GLN 11 -17.642 -36.910 -28.922 74 H GLU 12 H GLU 12 -18.197 -43.152 -24.859 75 HA GLU 12 HA GLU 12 -17.502 -43.380 -22.782 76 HB2 GLU 12 HB2 GLU 12 -14.775 -43.696 -23.894 77 HB3 GLU 12 HB3 GLU 12 -15.291 -43.983 -22.216 78 HG2 GLU 12 HG2 GLU 12 -17.005 -45.601 -23.088 79 HG3 GLU 12 HG3 GLU 12 -16.309 -45.390 -24.712 80 H ILE 13 H ILE 13 -16.137 -42.549 -20.823 81 HA ILE 13 HA ILE 13 -15.786 -39.651 -21.256 82 HB ILE 13 HB ILE 13 -17.407 -40.926 -18.977 83 HG12 ILE 13 2HG1 ILE 13 -18.433 -39.171 -21.246 84 HG13 ILE 13 3HG1 ILE 13 -18.583 -40.944 -21.216 85 HG21 ILE 13 1HG2 ILE 13 -16.880 -38.014 -19.733 86 HG22 ILE 13 2HG2 ILE 13 -17.907 -38.567 -18.389 87 HG23 ILE 13 3HG2 ILE 13 -16.155 -38.877 -18.355 88 HD11 ILE 13 3HD1 ILE 13 -19.883 -40.800 -19.125 89 HD12 ILE 13 1HD1 ILE 13 -19.732 -39.026 -19.155 90 HD13 ILE 13 2HD1 ILE 13 -20.646 -39.863 -20.433 91 H CYS 14 H CYS 14 -13.806 -39.058 -20.160 92 HA CYS 14 HA CYS 14 -13.099 -40.559 -17.717 93 HB2 CYS 14 HB2 CYS 14 -11.548 -41.388 -19.330 94 HB3 CYS 14 HB3 CYS 14 -11.086 -39.730 -19.785 95 HG CYS 14 HG CYS 14 -9.237 -40.783 -18.255 96 H ALA 15 H ALA 15 -10.749 -38.116 -18.418 97 HA ALA 15 HA ALA 15 -12.021 -36.294 -16.556 98 HB1 ALA 15 HB1 ALA 15 -9.178 -36.458 -17.580 99 HB2 ALA 15 HB2 ALA 15 -9.800 -35.305 -16.376 100 HB3 ALA 15 HB3 ALA 15 -9.772 -37.046 -16.009 101 H HIS 16 H HIS 16 -9.879 -35.461 -19.531 102 HA HIS 16 HA HIS 16 -12.116 -33.694 -20.260 103 HB2 HIS 16 HB2 HIS 16 -10.891 -31.668 -20.389 104 HB3 HIS 16 HB3 HIS 16 -11.069 -32.257 -18.719 105 HD1 HIS 16 HD1 HIS 16 -8.928 -32.930 -17.507 106 HD2 HIS 16 HD2 HIS 16 -8.347 -31.344 -21.355 107 HE1 HIS 16 HE1 HIS 16 -6.460 -32.191 -17.661 108 H SER 17 H SER 17 -12.735 -34.441 -22.044 109 HA SER 17 HA SER 17 -12.819 -34.798 -24.224 110 HB2 SER 17 HB2 SER 17 -11.507 -32.084 -24.114 111 HB3 SER 17 HB3 SER 17 -12.394 -32.771 -25.496 112 HG SER 17 HG SER 17 -13.707 -31.455 -24.152 113 H MET 18 H MET 18 -11.060 -36.727 -23.903 114 HA MET 18 HA MET 18 -9.523 -36.266 -26.365 115 HB2 MET 18 HB2 MET 18 -8.041 -36.749 -23.916 116 HB3 MET 18 HB3 MET 18 -7.566 -37.569 -25.422 117 HG2 MET 18 HG2 MET 18 -6.336 -35.571 -25.392 118 HG3 MET 18 HG3 MET 18 -7.678 -35.256 -26.518 119 HE1 MET 18 HE1 MET 18 -7.130 -32.786 -26.582 120 HE2 MET 18 HE2 MET 18 -6.917 -31.769 -25.137 121 HE3 MET 18 HE3 MET 18 -5.758 -33.074 -25.487 122 H THR 19 H THR 19 -8.501 -39.197 -24.892 123 HA THR 19 HA THR 19 -10.197 -40.639 -26.757 124 HB THR 19 HB THR 19 -7.163 -40.853 -26.904 125 HG1 THR 19 HG1 THR 19 -7.954 -38.831 -27.688 126 HG21 THR 19 1HG2 THR 19 -9.331 -41.894 -28.750 127 HG22 THR 19 2HG2 THR 19 -7.575 -42.061 -28.983 128 HG23 THR 19 3HG2 THR 19 -8.371 -42.868 -27.611 129 H PHE 20 H PHE 20 -9.925 -43.019 -26.438 130 HA PHE 20 HA PHE 20 -9.962 -43.832 -23.800 131 HB2 PHE 20 HB2 PHE 20 -10.970 -45.084 -25.722 132 HB3 PHE 20 HB3 PHE 20 -9.346 -45.396 -26.378 133 HD1 PHE 20 HD2 PHE 20 -7.877 -47.046 -25.374 134 HD2 PHE 20 HD1 PHE 20 -11.809 -46.302 -23.810 135 HE1 PHE 20 HE2 PHE 20 -7.773 -49.168 -24.094 136 HE2 PHE 20 HE1 PHE 20 -11.708 -48.423 -22.537 137 HZ PHE 20 HZ PHE 20 -9.693 -49.861 -22.681 138 H GLU 21 H GLU 21 -7.316 -44.066 -26.278 139 HA GLU 21 HA GLU 21 -5.435 -45.357 -24.651 140 HB2 GLU 21 HB2 GLU 21 -4.979 -43.513 -27.023 141 HB3 GLU 21 HB3 GLU 21 -3.800 -44.643 -26.314 142 HG2 GLU 21 HG2 GLU 21 -5.290 -46.539 -26.862 143 HG3 GLU 21 HG3 GLU 21 -6.468 -45.410 -27.570 144 H GLU 22 H GLU 22 -6.234 -41.950 -25.268 145 HA GLU 22 HA GLU 22 -4.038 -40.827 -23.856 146 HB2 GLU 22 HB2 GLU 22 -6.679 -39.651 -24.794 147 HB3 GLU 22 HB3 GLU 22 -5.312 -38.727 -24.128 148 HG2 GLU 22 HG2 GLU 22 -5.131 -40.490 -26.594 149 HG3 GLU 22 HG3 GLU 22 -5.428 -38.736 -26.635 150 H CYS 23 H CYS 23 -7.075 -42.204 -22.712 151 HA CYS 23 HA CYS 23 -7.697 -40.557 -20.627 152 HB2 CYS 23 HB2 CYS 23 -9.135 -42.375 -21.177 153 HB3 CYS 23 HB3 CYS 23 -7.860 -43.569 -20.838 154 HG CYS 23 HG CYS 23 -9.705 -43.704 -19.052 155 HA PRO 24 HA PRO 24 -4.864 -42.659 -17.480 156 HB2 PRO 24 HB2 PRO 24 -2.412 -43.580 -18.239 157 HB3 PRO 24 HB3 PRO 24 -3.834 -44.623 -17.994 158 HG2 PRO 24 HG2 PRO 24 -2.735 -43.461 -20.596 159 HG3 PRO 24 HG3 PRO 24 -3.341 -45.107 -20.295 160 HD2 PRO 24 HD2 PRO 24 -4.923 -43.240 -21.492 161 HD3 PRO 24 HD3 PRO 24 -5.603 -44.436 -20.364 162 H LYS 25 H LYS 25 -3.577 -40.848 -20.304 163 HA LYS 25 HA LYS 25 -1.558 -39.462 -18.914 164 HB2 LYS 25 HB2 LYS 25 -3.196 -38.458 -21.252 165 HB3 LYS 25 HB3 LYS 25 -1.692 -37.749 -20.616 166 HG2 LYS 25 HG2 LYS 25 -0.528 -39.923 -21.068 167 HG3 LYS 25 HG3 LYS 25 -2.025 -40.534 -21.812 168 HD2 LYS 25 HD2 LYS 25 -1.962 -38.673 -23.452 169 HD3 LYS 25 HD3 LYS 25 -0.456 -38.079 -22.713 170 HE2 LYS 25 HE2 LYS 25 0.053 -39.413 -24.709 171 HE3 LYS 25 HE3 LYS 25 0.637 -40.252 -23.252 172 HZ1 LYS 25 HZ1 LYS 25 -1.319 -41.597 -23.319 173 HZ2 LYS 25 HZ2 LYS 25 -1.865 -40.820 -24.668 174 HZ3 LYS 25 HZ3 LYS 25 -0.484 -41.720 -24.736 175 H CYS 26 H CYS 26 -5.114 -38.798 -19.530 176 HA CYS 26 HA CYS 26 -4.737 -36.879 -17.308 177 HB2 CYS 26 HB2 CYS 26 -4.977 -35.425 -19.020 178 HB3 CYS 26 HB3 CYS 26 -6.447 -36.242 -19.602 179 HG CYS 26 HG CYS 26 -7.082 -34.038 -18.374 180 H SER 27 H SER 27 -5.033 -37.656 -15.798 181 HA SER 27 HA SER 27 -7.697 -38.447 -14.942 182 HB2 SER 27 HB2 SER 27 -4.971 -39.494 -13.992 183 HB3 SER 27 HB3 SER 27 -6.536 -39.868 -13.233 184 HG SER 27 HG SER 27 -5.787 -40.454 -15.912 185 H ALA 28 H ALA 28 -6.172 -35.920 -15.536 186 HA ALA 28 HA ALA 28 -4.714 -34.875 -13.369 187 HB1 ALA 28 HB1 ALA 28 -5.845 -33.551 -15.846 188 HB2 ALA 28 HB2 ALA 28 -4.716 -32.820 -14.681 189 HB3 ALA 28 HB3 ALA 28 -4.205 -34.216 -15.658 190 H LEU 29 H LEU 29 -5.132 -32.736 -12.597 191 HA LEU 29 HA LEU 29 -7.180 -32.742 -10.784 192 HB2 LEU 29 HB2 LEU 29 -5.618 -30.359 -11.876 193 HB3 LEU 29 HB3 LEU 29 -6.509 -30.423 -10.337 194 HG LEU 29 HG LEU 29 -4.119 -32.164 -11.063 195 HD11 LEU 29 1HD1 LEU 29 -4.414 -29.780 -9.179 196 HD12 LEU 29 2HD1 LEU 29 -2.947 -30.767 -9.378 197 HD13 LEU 29 3HD1 LEU 29 -3.543 -29.775 -10.730 198 HD21 LEU 29 3HD2 LEU 29 -5.641 -31.828 -8.447 199 HD22 LEU 29 1HD2 LEU 29 -5.685 -33.263 -9.500 200 HD23 LEU 29 2HD2 LEU 29 -4.171 -32.803 -8.683 201 H GLN 30 H GLN 30 -7.140 -31.220 -14.069 202 HA GLN 30 HA GLN 30 -9.276 -29.468 -13.609 203 HB2 GLN 30 HB2 GLN 30 -8.423 -30.918 -16.154 204 HB3 GLN 30 HB3 GLN 30 -9.557 -29.557 -16.087 205 HG2 GLN 30 HG2 GLN 30 -6.681 -29.438 -15.120 206 HG3 GLN 30 HG3 GLN 30 -7.250 -28.862 -16.697 207 HE21 GLN 30 1HE2 GLN 30 -6.371 -27.763 -13.745 208 HE22 GLN 30 2HE2 GLN 30 -7.404 -26.359 -13.599 209 H TYR 31 H TYR 31 -9.492 -32.833 -15.045 210 HA TYR 31 HA TYR 31 -11.249 -34.141 -15.518 211 HB2 TYR 31 HB2 TYR 31 -10.988 -34.237 -12.980 212 HB3 TYR 31 HB3 TYR 31 -12.364 -33.132 -12.873 213 HD1 TYR 31 HD1 TYR 31 -11.264 -36.430 -14.238 214 HD2 TYR 31 HD2 TYR 31 -14.586 -33.996 -13.002 215 HE1 TYR 31 HE1 TYR 31 -12.777 -38.377 -14.501 216 HE2 TYR 31 HE2 TYR 31 -16.110 -35.934 -13.260 217 HH TYR 31 HH TYR 31 -16.299 -38.145 -13.846 218 H ARG 32 H ARG 32 -11.458 -31.614 -16.938 219 HA ARG 32 HA ARG 32 -13.915 -30.327 -16.508 220 HB2 ARG 32 HB2 ARG 32 -12.168 -30.444 -18.976 221 HB3 ARG 32 HB3 ARG 32 -13.651 -29.486 -18.829 222 HG2 ARG 32 HG2 ARG 32 -12.712 -28.400 -16.777 223 HG3 ARG 32 HG3 ARG 32 -11.177 -29.232 -17.099 224 HD2 ARG 32 HD2 ARG 32 -12.595 -27.350 -19.026 225 HD3 ARG 32 HD3 ARG 32 -11.236 -26.893 -17.986 226 HE ARG 32 HE ARG 32 -11.152 -28.641 -20.372 227 HH11 ARG 32 1HH1 ARG 32 -9.452 -27.178 -17.629 228 HH12 ARG 32 2HH1 ARG 32 -7.864 -27.427 -18.317 229 HH21 ARG 32 1HH2 ARG 32 -9.063 -28.960 -21.265 230 HH22 ARG 32 2HH2 ARG 32 -7.644 -28.440 -20.385 231 H ASN 33 H ASN 33 -13.411 -32.964 -18.983 232 HA ASN 33 HA ASN 33 -16.356 -32.984 -19.084 233 HB2 ASN 33 HB2 ASN 33 -14.586 -32.978 -21.563 234 HB3 ASN 33 HB3 ASN 33 -16.342 -33.239 -21.527 235 HD21 ASN 33 1HD2 ASN 33 -13.824 -30.920 -21.726 236 HD22 ASN 33 2HD2 ASN 33 -14.793 -29.476 -21.530 237 H GLY 34 H GLY 34 -13.655 -34.653 -20.893 238 HA2 GLY 34 HA2 GLY 34 -13.835 -37.051 -19.467 239 HA3 GLY 34 HA3 GLY 34 -14.913 -37.126 -20.876 240 H PHE 35 H PHE 35 -11.697 -37.546 -19.818 241 HA PHE 35 HA PHE 35 -10.270 -36.766 -22.132 242 HB2 PHE 35 HB2 PHE 35 -9.502 -37.302 -19.604 243 HB3 PHE 35 HB3 PHE 35 -9.067 -38.825 -20.393 244 HD1 PHE 35 HD1 PHE 35 -8.860 -35.111 -20.842 245 HD2 PHE 35 HD2 PHE 35 -7.002 -38.893 -21.555 246 HE1 PHE 35 HE1 PHE 35 -6.907 -33.942 -21.804 247 HE2 PHE 35 HE2 PHE 35 -4.988 -37.718 -22.458 248 HZ PHE 35 HZ PHE 35 -4.963 -35.256 -22.618 249 H TYR 36 H TYR 36 -12.435 -39.476 -21.585 250 HA TYR 36 HA TYR 36 -11.039 -41.041 -23.626 251 HB2 TYR 36 HB2 TYR 36 -13.724 -41.590 -22.308 252 HB3 TYR 36 HB3 TYR 36 -13.033 -42.514 -23.617 253 HD1 TYR 36 HD2 TYR 36 -11.530 -44.283 -23.259 254 HD2 TYR 36 HD1 TYR 36 -13.212 -42.102 -20.064 255 HE1 TYR 36 HE2 TYR 36 -10.542 -45.928 -21.660 256 HE2 TYR 36 HE1 TYR 36 -12.435 -43.799 -18.438 257 HH TYR 36 HH TYR 36 -11.182 -45.710 -18.142 258 H LEU 37 H LEU 37 -13.601 -38.636 -22.964 259 HA LEU 37 HA LEU 37 -15.648 -39.364 -24.665 260 HB2 LEU 37 HB2 LEU 37 -15.810 -37.783 -22.751 261 HB3 LEU 37 HB3 LEU 37 -14.922 -36.593 -23.710 262 HG LEU 37 HG LEU 37 -16.749 -36.668 -25.429 263 HD11 LEU 37 1HD1 LEU 37 -18.240 -38.174 -23.235 264 HD12 LEU 37 2HD1 LEU 37 -18.920 -37.605 -24.777 265 HD13 LEU 37 3HD1 LEU 37 -17.701 -38.900 -24.761 266 HD21 LEU 37 3HD2 LEU 37 -17.503 -35.933 -22.568 267 HD22 LEU 37 1HD2 LEU 37 -16.569 -34.918 -23.692 268 HD23 LEU 37 2HD2 LEU 37 -18.272 -35.296 -24.041 269 H LEU 38 H LEU 38 -13.085 -36.949 -25.764 270 HA LEU 38 HA LEU 38 -14.769 -36.517 -28.009 271 HB2 LEU 38 HB2 LEU 38 -11.836 -36.032 -27.937 272 HB3 LEU 38 HB3 LEU 38 -12.931 -35.676 -29.282 273 HG LEU 38 HG LEU 38 -13.113 -34.514 -26.478 274 HD11 LEU 38 1HD1 LEU 38 -12.438 -33.282 -29.188 275 HD12 LEU 38 2HD1 LEU 38 -12.504 -32.414 -27.638 276 HD13 LEU 38 3HD1 LEU 38 -11.259 -33.654 -27.916 277 HD21 LEU 38 3HD2 LEU 38 -14.826 -34.043 -28.959 278 HD22 LEU 38 1HD2 LEU 38 -15.372 -34.714 -27.401 279 HD23 LEU 38 2HD2 LEU 38 -14.853 -33.024 -27.501 280 H LYS 39 H LYS 39 -12.198 -39.035 -27.664 281 HA LYS 39 HA LYS 39 -13.387 -40.083 -30.128 282 HB2 LYS 39 HB2 LYS 39 -10.386 -39.836 -29.713 283 HB3 LYS 39 HB3 LYS 39 -11.201 -40.709 -31.029 284 HG2 LYS 39 HG2 LYS 39 -12.277 -38.590 -31.758 285 HG3 LYS 39 HG3 LYS 39 -11.421 -37.721 -30.464 286 HD2 LYS 39 HD2 LYS 39 -9.249 -38.416 -31.436 287 HD3 LYS 39 HD3 LYS 39 -10.109 -39.269 -32.740 288 HE2 LYS 39 HE2 LYS 39 -11.150 -37.139 -33.445 289 HE3 LYS 39 HE3 LYS 39 -10.302 -36.288 -32.138 290 HZ1 LYS 39 HZ1 LYS 39 -9.033 -37.711 -34.370 291 HZ2 LYS 39 HZ2 LYS 39 -8.236 -36.942 -33.147 292 HZ3 LYS 39 HZ3 LYS 39 -9.156 -36.073 -34.207 293 H TYR 40 H TYR 40 -13.968 -42.062 -30.041 294 HA TYR 40 HA TYR 40 -12.485 -43.874 -28.243 295 HB2 TYR 40 HB2 TYR 40 -14.768 -43.547 -27.401 296 HB3 TYR 40 HB3 TYR 40 -15.416 -44.095 -28.955 297 HD1 TYR 40 HD1 TYR 40 -12.867 -45.229 -26.440 298 HD2 TYR 40 HD2 TYR 40 -16.161 -46.300 -28.977 299 HE1 TYR 40 HE1 TYR 40 -12.712 -47.577 -25.639 300 HE2 TYR 40 HE2 TYR 40 -16.024 -48.641 -28.186 301 HH TYR 40 HH TYR 40 -13.574 -49.694 -25.780 302 H ASP 41 H ASP 41 -12.515 -42.742 -31.262 303 HA ASP 41 HA ASP 41 -12.097 -43.373 -33.319 304 HB2 ASP 41 HB2 ASP 41 -11.052 -45.943 -32.143 305 HB3 ASP 41 HB3 ASP 41 -10.727 -45.280 -33.757 306 H GLU 42 H GLU 42 -14.756 -43.577 -32.607 307 HA GLU 42 HA GLU 42 -15.660 -46.003 -33.994 308 HB2 GLU 42 HB2 GLU 42 -17.239 -43.928 -32.409 309 HB3 GLU 42 HB3 GLU 42 -17.941 -45.311 -33.272 310 HG2 GLU 42 HG2 GLU 42 -15.911 -45.490 -31.008 311 HG3 GLU 42 HG3 GLU 42 -17.658 -45.744 -30.836 312 H GLU 43 H GLU 43 -16.691 -45.626 -36.093 313 HA GLU 43 HA GLU 43 -16.240 -43.036 -37.264 314 HB2 GLU 43 HB2 GLU 43 -16.083 -45.053 -38.666 315 HB3 GLU 43 HB3 GLU 43 -17.808 -45.380 -38.392 316 HG2 GLU 43 HG2 GLU 43 -18.403 -43.237 -39.447 317 HG3 GLU 43 HG3 GLU 43 -16.686 -42.835 -39.639 318 H TRP 44 H TRP 44 -17.773 -41.355 -37.430 319 HA TRP 44 HA TRP 44 -20.445 -41.943 -36.324 320 HB2 TRP 44 HB2 TRP 44 -18.845 -39.382 -36.083 321 HB3 TRP 44 HB3 TRP 44 -20.566 -39.549 -35.696 322 HD1 TRP 44 HD1 TRP 44 -17.129 -40.269 -34.311 323 HE1 TRP 44 HE1 TRP 44 -17.289 -41.291 -31.982 324 HE3 TRP 44 HE3 TRP 44 -22.167 -41.118 -34.167 325 HZ2 TRP 44 HZ2 TRP 44 -19.360 -42.407 -30.272 326 HZ3 TRP 44 HZ3 TRP 44 -23.196 -42.186 -32.192 327 HH2 TRP 44 HH2 TRP 44 -21.812 -42.846 -30.258 328 H PTR 45 H PTR 45 -22.183 -41.290 -37.452 329 HA PTR 45 HA PTR 45 -23.401 -40.915 -39.287 330 HB2 PTR 45 HB2 PTR 45 -21.927 -38.324 -39.363 331 HB3 PTR 45 HB3 PTR 45 -23.439 -38.730 -40.186 332 HD1 PTR 45 HD1 PTR 45 -21.855 -38.095 -36.907 333 HD2 PTR 45 HD2 PTR 45 -25.530 -38.899 -38.985 334 HE1 PTR 45 HE1 PTR 45 -23.131 -37.468 -34.875 335 HE2 PTR 45 HE2 PTR 45 -26.821 -38.269 -36.963 336 HA PRO 46 HA PRO 46 -20.516 -42.238 -42.518 337 HB2 PRO 46 HB2 PRO 46 -21.064 -44.892 -42.692 338 HB3 PRO 46 HB3 PRO 46 -19.989 -44.253 -41.400 339 HG2 PRO 46 HG2 PRO 46 -22.962 -44.851 -41.214 340 HG3 PRO 46 HG3 PRO 46 -21.658 -45.407 -40.109 341 HD2 PRO 46 HD2 PRO 46 -23.172 -43.184 -39.582 342 HD3 PRO 46 HD3 PRO 46 -21.433 -43.260 -39.156 343 H GLU 47 H GLU 47 -22.031 -40.686 -43.424 344 HA GLU 47 HA GLU 47 -24.626 -41.265 -44.247 345 HB2 GLU 47 HB2 GLU 47 -22.583 -39.252 -45.228 346 HB3 GLU 47 HB3 GLU 47 -24.299 -39.276 -45.699 347 HG2 GLU 47 HG2 GLU 47 -24.970 -39.070 -43.335 348 HG3 GLU 47 HG3 GLU 47 -23.271 -39.055 -42.840 349 H GLU 48 H GLU 48 -21.498 -41.743 -45.990 350 HA GLU 48 HA GLU 48 -22.629 -42.353 -48.484 351 HB2 GLU 48 HB2 GLU 48 -20.221 -41.869 -48.168 352 HB3 GLU 48 HB3 GLU 48 -20.042 -43.370 -47.233 353 HG2 GLU 48 HG2 GLU 48 -20.792 -44.679 -49.209 354 HG3 GLU 48 HG3 GLU 48 -20.950 -43.176 -50.136 355 H LEU 49 H LEU 49 -21.769 -44.402 -45.620 356 HA LEU 49 HA LEU 49 -22.439 -46.879 -46.812 357 HB2 LEU 49 HB2 LEU 49 -22.382 -46.211 -43.870 358 HB3 LEU 49 HB3 LEU 49 -22.308 -47.812 -44.625 359 HG LEU 49 HG LEU 49 -20.221 -45.599 -44.828 360 HD11 LEU 49 1HD1 LEU 49 -20.130 -48.398 -43.623 361 HD12 LEU 49 2HD1 LEU 49 -18.801 -47.217 -43.637 362 HD13 LEU 49 3HD1 LEU 49 -20.271 -46.889 -42.695 363 HD21 LEU 49 3HD2 LEU 49 -20.298 -48.354 -46.137 364 HD22 LEU 49 1HD2 LEU 49 -20.325 -46.782 -46.975 365 HD23 LEU 49 2HD2 LEU 49 -18.875 -47.285 -46.085 366 H LEU 50 H LEU 50 -24.349 -44.529 -44.854 367 HA LEU 50 HA LEU 50 -26.632 -46.109 -44.516 368 HB2 LEU 50 HB2 LEU 50 -26.309 -43.094 -44.731 369 HB3 LEU 50 HB3 LEU 50 -27.838 -43.894 -44.321 370 HG LEU 50 HG LEU 50 -25.267 -44.314 -42.744 371 HD11 LEU 50 1HD1 LEU 50 -27.600 -42.432 -42.198 372 HD12 LEU 50 2HD1 LEU 50 -26.238 -42.749 -41.098 373 HD13 LEU 50 3HD1 LEU 50 -25.952 -41.941 -42.654 374 HD21 LEU 50 3HD2 LEU 50 -28.198 -44.884 -42.140 375 HD22 LEU 50 1HD2 LEU 50 -26.943 -46.099 -42.481 376 HD23 LEU 50 2HD2 LEU 50 -26.846 -45.116 -41.007 377 H TPO 51 H TPO 51 -25.622 -43.856 -47.162 378 HA TPO 51 HA TPO 51 -28.055 -44.028 -48.620 379 HB TPO 51 HB TPO 51 -26.420 -42.158 -48.788 380 HG21 TPO 51 1HG2 TPO 51 -24.772 -44.254 -50.269 381 HG22 TPO 51 2HG2 TPO 51 -24.440 -42.507 -50.258 382 HG23 TPO 51 3HG2 TPO 51 -24.319 -43.437 -48.752 383 H ASP 52 H ASP 52 -28.598 -45.366 -50.358 384 HA ASP 52 HA ASP 52 -27.329 -47.924 -50.473 385 HB2 ASP 52 HB2 ASP 52 -29.426 -46.750 -52.333 386 HB3 ASP 52 HB3 ASP 52 -28.921 -48.449 -52.243 387 H GLY 53 H GLY 53 -25.814 -48.659 -51.888 388 HA2 GLY 53 HA2 GLY 53 -25.340 -47.820 -54.461 389 HA3 GLY 53 HA3 GLY 53 -24.329 -46.791 -53.418 390 H GLU 54 H GLU 54 -22.509 -47.852 -54.489 391 HA GLU 54 HA GLU 54 -21.985 -50.625 -54.219 392 HB2 GLU 54 HB2 GLU 54 -19.984 -48.399 -54.687 393 HB3 GLU 54 HB3 GLU 54 -19.761 -50.131 -54.918 394 HG2 GLU 54 HG2 GLU 54 -20.121 -49.368 -57.077 395 HG3 GLU 54 HG3 GLU 54 -21.704 -50.006 -56.609 396 H ASP 55 H ASP 55 -20.511 -51.701 -52.904 397 HA ASP 55 HA ASP 55 -20.621 -51.053 -50.177 398 HB2 ASP 55 HB2 ASP 55 -18.788 -53.013 -51.603 399 HB3 ASP 55 HB3 ASP 55 -19.077 -52.925 -49.854 400 H ASP 56 H ASP 56 -17.908 -50.712 -52.582 401 HA ASP 56 HA ASP 56 -16.572 -49.130 -50.475 402 HB2 ASP 56 HB2 ASP 56 -15.239 -50.936 -52.539 403 HB3 ASP 56 HB3 ASP 56 -14.400 -49.835 -51.429 404 H VAL 57 H VAL 57 -15.078 -47.529 -51.357 405 HA VAL 57 HA VAL 57 -16.189 -45.914 -53.383 406 HB VAL 57 HB VAL 57 -13.507 -45.839 -51.976 407 HG11 VAL 57 1HG1 VAL 57 -14.972 -43.764 -53.665 408 HG12 VAL 57 2HG1 VAL 57 -13.498 -43.463 -52.714 409 HG13 VAL 57 3HG1 VAL 57 -13.448 -44.581 -54.092 410 HG21 VAL 57 3HG2 VAL 57 -16.138 -44.365 -51.504 411 HG22 VAL 57 1HG2 VAL 57 -15.453 -45.632 -50.459 412 HG23 VAL 57 2HG2 VAL 57 -14.618 -44.073 -50.628 413 H PHE 58 H PHE 58 -13.493 -48.264 -53.259 414 HA PHE 58 HA PHE 58 -12.403 -47.748 -55.809 415 HB2 PHE 58 HB2 PHE 58 -12.316 -50.260 -54.098 416 HB3 PHE 58 HB3 PHE 58 -11.292 -49.919 -55.499 417 HD1 PHE 58 HD1 PHE 58 -12.056 -48.937 -52.003 418 HD2 PHE 58 HD2 PHE 58 -9.400 -48.442 -55.348 419 HE1 PHE 58 HE1 PHE 58 -10.432 -47.765 -50.541 420 HE2 PHE 58 HE2 PHE 58 -7.775 -47.272 -53.883 421 HZ PHE 58 HZ PHE 58 -8.292 -46.930 -51.480 422 H ASP 59 H ASP 59 -15.228 -49.690 -54.798 423 HA ASP 59 HA ASP 59 -15.159 -51.587 -56.864 424 HB2 ASP 59 HB2 ASP 59 -17.520 -50.503 -55.310 425 HB3 ASP 59 HB3 ASP 59 -17.578 -51.870 -56.437 426 HA PRO 60 HA PRO 60 -17.927 -49.149 -59.679 427 HB2 PRO 60 HB2 PRO 60 -18.148 -46.412 -59.596 428 HB3 PRO 60 HB3 PRO 60 -19.253 -47.533 -58.724 429 HG2 PRO 60 HG2 PRO 60 -16.795 -46.116 -57.649 430 HG3 PRO 60 HG3 PRO 60 -18.424 -46.218 -56.900 431 HD2 PRO 60 HD2 PRO 60 -16.409 -47.885 -56.136 432 HD3 PRO 60 HD3 PRO 60 -18.085 -48.490 -56.288 433 H ASP 61 H ASP 61 -17.233 -48.801 -61.697 434 HA ASP 61 HA ASP 61 -15.804 -48.630 -63.386 435 HB2 ASP 61 HB2 ASP 61 -14.956 -46.058 -62.018 436 HB3 ASP 61 HB3 ASP 61 -14.679 -46.502 -63.715 437 H LEU 62 H LEU 62 -14.853 -50.449 -61.432 438 HA LEU 62 HA LEU 62 -12.032 -49.783 -61.104 439 HB2 LEU 62 HB2 LEU 62 -13.241 -50.892 -59.236 440 HB3 LEU 62 HB3 LEU 62 -13.545 -52.282 -60.286 441 HG LEU 62 HG LEU 62 -11.069 -52.571 -60.565 442 HD11 LEU 62 1HD1 LEU 62 -10.967 -50.391 -58.431 443 HD12 LEU 62 2HD1 LEU 62 -9.589 -51.399 -58.932 444 HD13 LEU 62 3HD1 LEU 62 -10.323 -50.273 -60.088 445 HD21 LEU 62 3HD2 LEU 62 -12.098 -52.532 -57.697 446 HD22 LEU 62 1HD2 LEU 62 -12.345 -53.843 -58.877 447 HD23 LEU 62 2HD2 LEU 62 -10.707 -53.471 -58.291 448 H ASP 63 H ASP 63 -10.539 -50.376 -62.581 449 HA ASP 63 HA ASP 63 -11.359 -52.192 -64.737 450 HB2 ASP 63 HB2 ASP 63 -10.647 -49.972 -65.528 451 HB3 ASP 63 HB3 ASP 63 -9.132 -50.107 -64.614 452 H MET 64 H MET 64 -10.336 -54.125 -64.863 453 HA MET 64 HA MET 64 -8.172 -54.662 -62.932 454 HB2 MET 64 HB2 MET 64 -10.075 -56.613 -64.305 455 HB3 MET 64 HB3 MET 64 -8.802 -57.027 -63.139 456 HG2 MET 64 HG2 MET 64 -11.267 -55.318 -62.641 457 HG3 MET 64 HG3 MET 64 -10.968 -56.942 -62.017 458 HE1 MET 64 HE1 MET 64 -7.797 -56.616 -61.262 459 HE2 MET 64 HE2 MET 64 -7.982 -56.301 -59.523 460 HE3 MET 64 HE3 MET 64 -9.006 -57.520 -60.318 461 H GLU 65 H GLU 65 -6.189 -55.319 -63.716 462 HA GLU 65 HA GLU 65 -5.920 -55.501 -66.636 463 HB2 GLU 65 HB2 GLU 65 -3.796 -54.986 -64.527 464 HB3 GLU 65 HB3 GLU 65 -3.521 -55.146 -66.276 465 HG2 GLU 65 HG2 GLU 65 -5.019 -53.215 -66.685 466 HG3 GLU 65 HG3 GLU 65 -5.278 -53.046 -64.938 467 H VAL 66 H VAL 66 -5.450 -57.447 -67.515 468 HA VAL 66 HA VAL 66 -4.740 -59.620 -65.652 469 HB VAL 66 HB VAL 66 -6.240 -59.751 -68.280 470 HG11 VAL 66 1HG1 VAL 66 -5.394 -61.916 -66.307 471 HG12 VAL 66 2HG1 VAL 66 -6.491 -62.157 -67.687 472 HG13 VAL 66 3HG1 VAL 66 -4.797 -61.712 -67.971 473 HG21 VAL 66 3HG2 VAL 66 -7.093 -60.253 -65.395 474 HG22 VAL 66 1HG2 VAL 66 -7.599 -58.881 -66.409 475 HG23 VAL 66 2HG2 VAL 66 -8.100 -60.531 -66.836 476 H VAL 67 H VAL 67 -2.848 -60.557 -65.999 477 HA VAL 67 HA VAL 67 -0.922 -59.597 -67.834 478 HB VAL 67 HB VAL 67 0.562 -61.202 -66.942 479 HG11 VAL 67 1HG1 VAL 67 -1.159 -59.823 -64.833 480 HG12 VAL 67 2HG1 VAL 67 0.516 -60.368 -64.608 481 HG13 VAL 67 3HG1 VAL 67 0.155 -59.067 -65.765 482 HG21 VAL 67 3HG2 VAL 67 -1.842 -62.195 -65.347 483 HG22 VAL 67 1HG2 VAL 67 -0.989 -63.100 -66.620 484 HG23 VAL 67 2HG2 VAL 67 -0.153 -62.702 -65.106 485 H PHE 68 H PHE 68 -3.090 -62.415 -68.031 486 HA PHE 68 HA PHE 68 -3.368 -64.010 -69.567 487 HB2 PHE 68 HB2 PHE 68 -2.159 -62.122 -71.573 488 HB3 PHE 68 HB3 PHE 68 -3.052 -63.612 -71.907 489 HD1 PHE 68 HD2 PHE 68 -5.480 -63.778 -71.321 490 HD2 PHE 68 HD1 PHE 68 -3.303 -60.080 -71.055 491 HE1 PHE 68 HE2 PHE 68 -7.619 -62.520 -71.288 492 HE2 PHE 68 HE1 PHE 68 -5.441 -58.824 -71.020 493 HZ PHE 68 HZ PHE 68 -7.600 -60.043 -71.138 494 H GLU 69 H GLU 69 -1.216 -64.299 -67.898 495 HA GLU 69 HA GLU 69 0.631 -65.454 -67.485 496 HB2 GLU 69 HB2 GLU 69 -0.071 -66.943 -70.035 497 HB3 GLU 69 HB3 GLU 69 1.026 -67.491 -68.748 498 HG2 GLU 69 HG2 GLU 69 -0.846 -67.421 -67.126 499 HG3 GLU 69 HG3 GLU 69 -1.945 -66.904 -68.421 500 H THR 70 H THR 70 1.070 -62.931 -68.920 501 HA THR 70 HA THR 70 3.566 -63.698 -70.279 502 HB THR 70 HB THR 70 1.778 -61.327 -70.848 503 HG1 THR 70 HG1 THR 70 1.036 -63.333 -71.665 504 HG21 THR 70 1HG2 THR 70 4.390 -62.282 -72.100 505 HG22 THR 70 2HG2 THR 70 3.392 -60.932 -72.692 506 HG23 THR 70 3HG2 THR 70 4.184 -60.821 -71.104 507 H GLN 71 H GLN 71 5.338 -62.881 -69.216 508 HA GLN 71 HA GLN 71 4.901 -60.676 -67.317 509 HB2 GLN 71 HB2 GLN 71 6.579 -63.165 -66.830 510 HB3 GLN 71 HB3 GLN 71 6.615 -61.700 -65.830 511 HG2 GLN 71 HG2 GLN 71 4.137 -63.394 -66.344 512 HG3 GLN 71 HG3 GLN 71 5.158 -63.499 -64.898 513 HE21 GLN 71 2HE2 GLN 71 2.281 -62.353 -65.842 514 HE22 GLN 71 1HE2 GLN 71 2.158 -60.908 -64.864
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