NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
635841 | 5zew | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -4.485 6.244 13.058 2 HB2 MET 1 HB2 MET 1 -4.587 8.737 12.934 3 HB3 MET 1 HB3 MET 1 -5.467 8.609 11.411 4 HG2 MET 1 HG2 MET 1 -7.285 7.359 12.581 5 HG3 MET 1 HG3 MET 1 -6.335 7.423 14.087 6 HE1 MET 1 HE1 MET 1 -9.364 9.793 14.907 7 HE2 MET 1 HE2 MET 1 -9.477 8.368 13.854 8 HE3 MET 1 HE3 MET 1 -8.503 8.306 15.335 9 H LYS 2 H LYS 2 -6.808 7.306 10.908 10 HA LYS 2 HA LYS 2 -7.154 4.726 9.504 11 HB2 LYS 2 HB2 LYS 2 -8.664 7.349 9.380 12 HB3 LYS 2 HB3 LYS 2 -9.008 5.972 8.328 13 HG2 LYS 2 HG2 LYS 2 -9.601 4.566 10.189 14 HG3 LYS 2 HG3 LYS 2 -9.080 5.783 11.375 15 HD2 LYS 2 HD2 LYS 2 -10.792 7.358 10.590 16 HD3 LYS 2 HD3 LYS 2 -11.347 6.204 9.366 17 HE2 LYS 2 HE2 LYS 2 -11.329 5.599 12.354 18 HE3 LYS 2 HE3 LYS 2 -12.692 6.389 11.554 19 HZ1 LYS 2 HZ1 LYS 2 -11.671 3.674 10.863 20 HZ2 LYS 2 HZ2 LYS 2 -12.923 4.441 10.114 21 HZ3 LYS 2 HZ3 LYS 2 -13.029 3.995 11.680 22 H ILE 3 H ILE 3 -6.703 4.311 7.450 23 HA ILE 3 HA ILE 3 -5.495 6.381 5.700 24 HB ILE 3 HB ILE 3 -3.813 4.874 4.884 25 HG12 ILE 3 HG12 ILE 3 -3.300 2.797 6.454 26 HG13 ILE 3 HG13 ILE 3 -5.037 2.811 6.726 27 HG21 ILE 3 HG21 ILE 3 -3.630 5.015 7.915 28 HG22 ILE 3 HG22 ILE 3 -2.291 4.921 6.755 29 HG23 ILE 3 HG23 ILE 3 -3.318 6.365 6.805 30 HD11 ILE 3 HD11 ILE 3 -5.389 2.506 4.267 31 HD12 ILE 3 HD12 ILE 3 -3.631 2.604 4.016 32 HD13 ILE 3 HD13 ILE 3 -4.323 1.259 4.930 33 H LYS 4 H LYS 4 -5.601 5.857 3.433 34 HA LYS 4 HA LYS 4 -7.940 4.124 2.740 35 HB2 LYS 4 HB2 LYS 4 -7.691 6.873 2.377 36 HB3 LYS 4 HB3 LYS 4 -7.239 6.245 0.794 37 HG2 LYS 4 HG2 LYS 4 -9.375 5.004 0.662 38 HG3 LYS 4 HG3 LYS 4 -9.759 5.475 2.327 39 HD2 LYS 4 HD2 LYS 4 -9.620 7.914 1.563 40 HD3 LYS 4 HD3 LYS 4 -9.566 7.298 -0.101 41 HE2 LYS 4 HE2 LYS 4 -11.755 6.115 0.338 42 HE3 LYS 4 HE3 LYS 4 -11.761 6.795 1.965 43 HZ1 LYS 4 HZ1 LYS 4 -11.865 9.014 0.996 44 HZ2 LYS 4 HZ2 LYS 4 -13.109 8.122 0.448 45 HZ3 LYS 4 HZ3 LYS 4 -11.834 8.416 -0.527 46 H ILE 5 H ILE 5 -7.728 2.628 1.142 47 HA ILE 5 HA ILE 5 -5.200 2.635 -0.435 48 HB ILE 5 HB ILE 5 -5.011 1.005 1.370 49 HG12 ILE 5 HG12 ILE 5 -5.190 -0.390 -1.336 50 HG13 ILE 5 HG13 ILE 5 -3.937 0.787 -0.934 51 HG21 ILE 5 HG21 ILE 5 -7.284 -0.522 0.013 52 HG22 ILE 5 HG22 ILE 5 -6.344 -1.041 1.425 53 HG23 ILE 5 HG23 ILE 5 -7.423 0.348 1.550 54 HD11 ILE 5 HD11 ILE 5 -3.068 -1.443 -0.605 55 HD12 ILE 5 HD12 ILE 5 -3.197 -0.633 0.968 56 HD13 ILE 5 HD13 ILE 5 -4.395 -1.864 0.490 57 H VAL 6 H VAL 6 -5.297 2.183 -2.526 58 HA VAL 6 HA VAL 6 -7.970 1.676 -3.777 59 HB VAL 6 HB VAL 6 -5.761 3.368 -4.975 60 HG11 VAL 6 HG11 VAL 6 -8.746 3.115 -5.571 61 HG12 VAL 6 HG12 VAL 6 -7.590 4.169 -6.413 62 HG13 VAL 6 HG13 VAL 6 -7.435 2.416 -6.550 63 HG21 VAL 6 HG21 VAL 6 -7.162 5.341 -4.386 64 HG22 VAL 6 HG22 VAL 6 -8.134 4.291 -3.333 65 HG23 VAL 6 HG23 VAL 6 -6.416 4.568 -2.985 66 HA PRO 7 HA PRO 7 -5.240 -1.663 -5.400 67 HB2 PRO 7 HB2 PRO 7 -6.904 -3.782 -5.077 68 HB3 PRO 7 HB3 PRO 7 -5.952 -3.096 -3.728 69 HG2 PRO 7 HG2 PRO 7 -8.863 -2.575 -4.406 70 HG3 PRO 7 HG3 PRO 7 -8.145 -2.961 -2.811 71 HD2 PRO 7 HD2 PRO 7 -8.698 -0.396 -3.642 72 HD3 PRO 7 HD3 PRO 7 -7.348 -0.783 -2.538 73 H ALA 8 H ALA 8 -5.083 -1.616 -7.535 74 HA ALA 8 HA ALA 8 -7.327 -0.983 -9.259 75 HB1 ALA 8 HB1 ALA 8 -5.072 0.005 -9.500 76 HB2 ALA 8 HB2 ALA 8 -4.416 -1.601 -9.899 77 HB3 ALA 8 HB3 ALA 8 -5.595 -0.824 -10.978 78 H VAL 9 H VAL 9 -8.223 -3.263 -8.261 79 HA VAL 9 HA VAL 9 -8.210 -5.164 -10.514 80 HB VAL 9 HB VAL 9 -6.304 -5.895 -9.157 81 HG11 VAL 9 HG11 VAL 9 -7.033 -5.149 -6.919 82 HG12 VAL 9 HG12 VAL 9 -8.291 -6.405 -6.899 83 HG13 VAL 9 HG13 VAL 9 -6.575 -6.855 -6.930 84 HG21 VAL 9 HG21 VAL 9 -8.590 -7.891 -8.907 85 HG22 VAL 9 HG22 VAL 9 -7.660 -7.572 -10.396 86 HG23 VAL 9 HG23 VAL 9 -6.853 -8.228 -8.965 87 H GLY 10 H GLY 10 -10.020 -6.505 -10.626 88 HA2 GLY 10 HA2 GLY 10 -12.144 -7.270 -10.255 89 HA3 GLY 10 HA3 GLY 10 -11.860 -6.999 -8.533 90 H GLY 11 H GLY 11 -11.874 -4.400 -10.952 91 HA2 GLY 11 HA2 GLY 11 -13.293 -2.542 -11.201 92 HA3 GLY 11 HA3 GLY 11 -14.495 -3.301 -10.151 93 H GLY 12 H GLY 12 -11.210 -1.888 -10.072 94 HA2 GLY 12 HA2 GLY 12 -10.903 -1.726 -7.283 95 HA3 GLY 12 HA3 GLY 12 -9.991 -0.795 -8.465 96 H SER 13 H SER 13 -11.303 -0.284 -5.743 97 HA SER 13 HA SER 13 -12.233 2.470 -6.263 98 HB2 SER 13 HB2 SER 13 -13.834 0.424 -4.662 99 HB3 SER 13 HB3 SER 13 -14.172 2.157 -4.702 100 HG SER 13 HG SER 13 -14.630 1.991 -6.917 101 HA PRO 14 HA PRO 14 -9.872 3.139 -2.531 102 HB2 PRO 14 HB2 PRO 14 -11.038 5.366 -1.442 103 HB3 PRO 14 HB3 PRO 14 -10.045 5.419 -2.925 104 HG2 PRO 14 HG2 PRO 14 -13.067 5.261 -2.730 105 HG3 PRO 14 HG3 PRO 14 -12.076 6.384 -3.719 106 HD2 PRO 14 HD2 PRO 14 -13.126 4.133 -4.786 107 HD3 PRO 14 HD3 PRO 14 -11.480 4.664 -5.237 108 H LEU 15 H LEU 15 -9.866 2.443 -0.461 109 HA LEU 15 HA LEU 15 -12.416 2.049 1.042 110 HB2 LEU 15 HB2 LEU 15 -11.832 -0.056 -0.098 111 HB3 LEU 15 HB3 LEU 15 -10.196 0.027 0.556 112 HG LEU 15 HG LEU 15 -11.129 -0.213 2.877 113 HD11 LEU 15 HD11 LEU 15 -13.458 -1.040 3.121 114 HD12 LEU 15 HD12 LEU 15 -13.751 -0.736 1.388 115 HD13 LEU 15 HD13 LEU 15 -13.438 0.613 2.509 116 HD21 LEU 15 HD21 LEU 15 -11.654 -2.603 2.661 117 HD22 LEU 15 HD22 LEU 15 -10.283 -2.151 1.628 118 HD23 LEU 15 HD23 LEU 15 -11.894 -2.406 0.908 119 H GLU 16 H GLU 16 -12.318 2.745 3.096 120 HA GLU 16 HA GLU 16 -9.781 3.669 4.282 121 HB2 GLU 16 HB2 GLU 16 -12.646 3.743 5.290 122 HB3 GLU 16 HB3 GLU 16 -11.246 4.366 6.176 123 HG2 GLU 16 HG2 GLU 16 -10.759 5.938 4.347 124 HG3 GLU 16 HG3 GLU 16 -12.181 5.351 3.451 125 H LEU 17 H LEU 17 -8.754 2.820 6.038 126 HA LEU 17 HA LEU 17 -10.071 0.914 7.800 127 HB2 LEU 17 HB2 LEU 17 -8.338 -0.773 7.734 128 HB3 LEU 17 HB3 LEU 17 -9.210 -0.701 6.221 129 HG LEU 17 HG LEU 17 -6.555 0.766 6.470 130 HD11 LEU 17 HD11 LEU 17 -5.385 -1.275 5.770 131 HD12 LEU 17 HD12 LEU 17 -6.894 -2.206 5.916 132 HD13 LEU 17 HD13 LEU 17 -6.136 -1.485 7.356 133 HD21 LEU 17 HD21 LEU 17 -7.795 1.073 4.359 134 HD22 LEU 17 HD22 LEU 17 -7.962 -0.687 4.176 135 HD23 LEU 17 HD23 LEU 17 -6.366 0.081 4.073 136 H GLU 18 H GLU 18 -9.157 0.807 9.861 137 HA GLU 18 HA GLU 18 -7.267 2.961 10.597 138 HB2 GLU 18 HB2 GLU 18 -9.285 2.574 11.938 139 HB3 GLU 18 HB3 GLU 18 -8.743 0.926 12.295 140 HG2 GLU 18 HG2 GLU 18 -6.802 1.783 13.517 141 HG3 GLU 18 HG3 GLU 18 -7.158 3.434 12.993 142 H VAL 19 H VAL 19 -5.145 2.683 11.130 143 HA VAL 19 HA VAL 19 -4.049 -0.083 11.368 144 HB VAL 19 HB VAL 19 -2.138 0.475 9.988 145 HG11 VAL 19 HG11 VAL 19 -3.175 0.345 7.803 146 HG12 VAL 19 HG12 VAL 19 -4.093 -0.637 8.955 147 HG13 VAL 19 HG13 VAL 19 -4.716 0.946 8.442 148 HG21 VAL 19 HG21 VAL 19 -3.572 3.056 9.253 149 HG22 VAL 19 HG22 VAL 19 -2.088 2.937 10.227 150 HG23 VAL 19 HG23 VAL 19 -2.069 2.436 8.534 151 H ALA 20 H ALA 20 -2.001 -0.263 12.381 152 HA ALA 20 HA ALA 20 -1.760 1.287 14.764 153 HB1 ALA 20 HB1 ALA 20 0.234 -0.162 15.133 154 HB2 ALA 20 HB2 ALA 20 -1.164 -1.101 14.586 155 HB3 ALA 20 HB3 ALA 20 0.144 -0.706 13.446 156 HA PRO 21 HA PRO 21 0.961 4.614 13.503 157 HB2 PRO 21 HB2 PRO 21 2.487 5.016 15.761 158 HB3 PRO 21 HB3 PRO 21 0.765 5.485 15.627 159 HG2 PRO 21 HG2 PRO 21 1.943 2.979 16.862 160 HG3 PRO 21 HG3 PRO 21 0.704 4.079 17.551 161 HD2 PRO 21 HD2 PRO 21 0.019 1.775 16.301 162 HD3 PRO 21 HD3 PRO 21 -0.963 3.253 16.095 163 H ASN 22 H ASN 22 2.332 1.602 14.657 164 HA ASN 22 HA ASN 22 5.007 2.109 13.550 165 HB2 ASN 22 HB2 ASN 22 3.795 -0.351 14.865 166 HB3 ASN 22 HB3 ASN 22 5.490 -0.167 14.425 167 HD21 ASN 22 HD21 ASN 22 4.308 -0.627 17.105 168 HD22 ASN 22 HD22 ASN 22 4.889 0.727 18.066 169 H ALA 23 H ALA 23 2.301 1.664 11.849 170 HA ALA 23 HA ALA 23 2.914 -0.519 10.094 171 HB1 ALA 23 HB1 ALA 23 1.322 2.044 9.623 172 HB2 ALA 23 HB2 ALA 23 1.288 0.584 8.597 173 HB3 ALA 23 HB3 ALA 23 0.684 0.494 10.247 174 H THR 24 H THR 24 3.627 -0.438 7.905 175 HA THR 24 HA THR 24 5.626 1.659 7.182 176 HB THR 24 HB THR 24 6.213 -1.314 7.470 177 HG1 THR 24 HG1 THR 24 7.580 -0.611 9.098 178 HG21 THR 24 HG21 THR 24 7.540 -0.410 5.603 179 HG22 THR 24 HG22 THR 24 8.576 -0.659 6.997 180 HG23 THR 24 HG23 THR 24 8.032 0.984 6.599 181 H VAL 25 H VAL 25 5.758 2.018 5.011 182 HA VAL 25 HA VAL 25 3.709 1.062 3.325 183 HB VAL 25 HB VAL 25 6.337 2.279 2.393 184 HG11 VAL 25 HG11 VAL 25 4.920 3.225 0.587 185 HG12 VAL 25 HG12 VAL 25 4.910 1.462 0.556 186 HG13 VAL 25 HG13 VAL 25 3.516 2.341 1.223 187 HG21 VAL 25 HG21 VAL 25 3.847 3.619 3.531 188 HG22 VAL 25 HG22 VAL 25 5.504 3.751 4.126 189 HG23 VAL 25 HG23 VAL 25 5.091 4.474 2.580 190 H GLY 26 H GLY 26 7.115 -0.027 3.521 191 HA2 GLY 26 HA2 GLY 26 7.075 -1.913 1.397 192 HA3 GLY 26 HA3 GLY 26 8.122 -1.970 2.822 193 H ALA 27 H ALA 27 6.081 -2.310 4.838 194 HA ALA 27 HA ALA 27 5.647 -5.153 4.671 195 HB1 ALA 27 HB1 ALA 27 6.057 -3.945 6.789 196 HB2 ALA 27 HB2 ALA 27 4.505 -3.091 6.607 197 HB3 ALA 27 HB3 ALA 27 4.533 -4.851 6.834 198 H VAL 28 H VAL 28 3.487 -2.328 4.168 199 HA VAL 28 HA VAL 28 1.086 -3.866 3.675 200 HB VAL 28 HB VAL 28 1.875 -1.113 2.644 201 HG11 VAL 28 HG11 VAL 28 0.029 -2.064 1.274 202 HG12 VAL 28 HG12 VAL 28 -0.872 -2.443 2.754 203 HG13 VAL 28 HG13 VAL 28 -0.546 -0.754 2.305 204 HG21 VAL 28 HG21 VAL 28 0.123 -1.944 5.003 205 HG22 VAL 28 HG22 VAL 28 1.743 -1.231 5.124 206 HG23 VAL 28 HG23 VAL 28 0.418 -0.279 4.452 207 H ARG 29 H ARG 29 3.662 -2.664 1.481 208 HA ARG 29 HA ARG 29 2.580 -3.718 -0.935 209 HB2 ARG 29 HB2 ARG 29 4.410 -2.009 -0.639 210 HB3 ARG 29 HB3 ARG 29 5.530 -3.295 -0.247 211 HG2 ARG 29 HG2 ARG 29 3.951 -3.218 -2.858 212 HG3 ARG 29 HG3 ARG 29 5.465 -2.344 -2.659 213 HD2 ARG 29 HD2 ARG 29 5.148 -5.357 -2.394 214 HD3 ARG 29 HD3 ARG 29 5.759 -4.496 -3.818 215 HE ARG 29 HE ARG 29 7.388 -3.644 -1.732 216 HH11 ARG 29 HH11 ARG 29 6.693 -6.750 -3.188 217 HH12 ARG 29 HH12 ARG 29 8.265 -7.392 -2.767 218 HH21 ARG 29 HH21 ARG 29 9.366 -4.528 -1.214 219 HH22 ARG 29 HH22 ARG 29 9.736 -6.152 -1.701 220 H THR 30 H THR 30 5.025 -5.270 1.252 221 HA THR 30 HA THR 30 5.222 -7.638 -0.352 222 HB THR 30 HB THR 30 6.220 -8.721 1.629 223 HG1 THR 30 HG1 THR 30 6.530 -7.519 3.477 224 HG21 THR 30 HG21 THR 30 7.663 -7.466 0.145 225 HG22 THR 30 HG22 THR 30 8.195 -7.247 1.817 226 HG23 THR 30 HG23 THR 30 7.305 -5.949 0.992 227 H LYS 31 H LYS 31 3.028 -6.927 2.429 228 HA LYS 31 HA LYS 31 1.825 -9.525 2.529 229 HB2 LYS 31 HB2 LYS 31 0.779 -6.749 3.208 230 HB3 LYS 31 HB3 LYS 31 -0.294 -8.139 3.175 231 HG2 LYS 31 HG2 LYS 31 1.470 -9.300 4.735 232 HG3 LYS 31 HG3 LYS 31 2.075 -7.663 5.000 233 HD2 LYS 31 HD2 LYS 31 0.538 -8.134 6.771 234 HD3 LYS 31 HD3 LYS 31 -0.305 -7.013 5.688 235 HE2 LYS 31 HE2 LYS 31 -1.491 -8.956 4.636 236 HE3 LYS 31 HE3 LYS 31 -0.613 -10.062 5.695 237 HZ1 LYS 31 HZ1 LYS 31 -2.528 -7.978 6.614 238 HZ2 LYS 31 HZ2 LYS 31 -1.718 -9.002 7.597 239 HZ3 LYS 31 HZ3 LYS 31 -2.829 -9.581 6.553 240 H VAL 32 H VAL 32 0.949 -6.756 0.379 241 HA VAL 32 HA VAL 32 -1.181 -8.294 -0.838 242 HB VAL 32 HB VAL 32 0.191 -5.818 -1.931 243 HG11 VAL 32 HG11 VAL 32 -0.958 -6.974 -3.742 244 HG12 VAL 32 HG12 VAL 32 -2.357 -7.329 -2.691 245 HG13 VAL 32 HG13 VAL 32 -2.034 -5.685 -3.195 246 HG21 VAL 32 HG21 VAL 32 -0.969 -5.441 0.260 247 HG22 VAL 32 HG22 VAL 32 -1.812 -4.654 -1.069 248 HG23 VAL 32 HG23 VAL 32 -2.439 -6.180 -0.401 249 H CYS 33 H CYS 33 2.252 -7.740 -1.903 250 HA CYS 33 HA CYS 33 2.090 -9.286 -4.286 251 HB2 CYS 33 HB2 CYS 33 4.367 -8.930 -2.289 252 HB3 CYS 33 HB3 CYS 33 4.549 -9.723 -3.855 253 HG CYS 33 HG CYS 33 3.939 -7.694 -5.371 254 H ALA 34 H ALA 34 2.683 -10.441 -0.919 255 HA ALA 34 HA ALA 34 2.898 -13.220 -1.607 256 HB1 ALA 34 HB1 ALA 34 3.780 -12.222 0.467 257 HB2 ALA 34 HB2 ALA 34 2.129 -11.848 1.011 258 HB3 ALA 34 HB3 ALA 34 2.644 -13.539 0.831 259 H MET 35 H MET 35 0.058 -11.238 -0.575 260 HA MET 35 HA MET 35 -1.751 -13.464 -0.473 261 HB2 MET 35 HB2 MET 35 -2.001 -11.311 0.743 262 HB3 MET 35 HB3 MET 35 -2.377 -10.503 -0.785 263 HG2 MET 35 HG2 MET 35 -4.375 -11.934 -1.039 264 HG3 MET 35 HG3 MET 35 -3.919 -12.842 0.405 265 HE1 MET 35 HE1 MET 35 -6.030 -12.643 1.786 266 HE2 MET 35 HE2 MET 35 -7.025 -11.166 1.889 267 HE3 MET 35 HE3 MET 35 -6.794 -11.975 0.325 268 H LYS 36 H LYS 36 -1.007 -11.147 -3.085 269 HA LYS 36 HA LYS 36 -2.861 -12.368 -5.026 270 HB2 LYS 36 HB2 LYS 36 -0.527 -10.438 -5.385 271 HB3 LYS 36 HB3 LYS 36 -1.672 -10.888 -6.637 272 HG2 LYS 36 HG2 LYS 36 -2.330 -9.299 -4.123 273 HG3 LYS 36 HG3 LYS 36 -2.145 -8.690 -5.757 274 HD2 LYS 36 HD2 LYS 36 -4.419 -8.775 -5.620 275 HD3 LYS 36 HD3 LYS 36 -4.111 -10.361 -6.333 276 HE2 LYS 36 HE2 LYS 36 -4.248 -11.363 -4.020 277 HE3 LYS 36 HE3 LYS 36 -4.549 -9.754 -3.365 278 HZ1 LYS 36 HZ1 LYS 36 -6.596 -9.671 -4.684 279 HZ2 LYS 36 HZ2 LYS 36 -6.621 -10.978 -3.712 280 HZ3 LYS 36 HZ3 LYS 36 -6.315 -11.152 -5.303 281 H LYS 37 H LYS 37 0.192 -13.273 -3.832 282 HA LYS 37 HA LYS 37 1.836 -14.706 -4.460 283 HB2 LYS 37 HB2 LYS 37 -0.434 -16.074 -5.957 284 HB3 LYS 37 HB3 LYS 37 1.140 -16.802 -5.654 285 HG2 LYS 37 HG2 LYS 37 -0.702 -15.864 -3.418 286 HG3 LYS 37 HG3 LYS 37 -0.725 -17.494 -4.094 287 HD2 LYS 37 HD2 LYS 37 1.591 -17.879 -3.443 288 HD3 LYS 37 HD3 LYS 37 1.740 -16.219 -2.820 289 HE2 LYS 37 HE2 LYS 37 -0.056 -16.641 -1.164 290 HE3 LYS 37 HE3 LYS 37 -0.253 -18.290 -1.782 291 HZ1 LYS 37 HZ1 LYS 37 2.041 -18.758 -1.088 292 HZ2 LYS 37 HZ2 LYS 37 1.162 -18.253 0.192 293 HZ3 LYS 37 HZ3 LYS 37 2.237 -17.220 -0.530 294 H LEU 38 H LEU 38 2.114 -12.441 -5.717 295 HA LEU 38 HA LEU 38 3.125 -13.172 -8.411 296 HB2 LEU 38 HB2 LEU 38 1.351 -10.825 -7.682 297 HB3 LEU 38 HB3 LEU 38 2.385 -10.777 -9.099 298 HG LEU 38 HG LEU 38 0.238 -12.891 -8.652 299 HD11 LEU 38 HD11 LEU 38 0.197 -10.416 -10.428 300 HD12 LEU 38 HD12 LEU 38 -0.721 -10.622 -8.919 301 HD13 LEU 38 HD13 LEU 38 -1.069 -11.658 -10.314 302 HD21 LEU 38 HD21 LEU 38 1.884 -12.173 -11.122 303 HD22 LEU 38 HD22 LEU 38 0.521 -13.311 -11.084 304 HD23 LEU 38 HD23 LEU 38 1.989 -13.687 -10.187 305 HA PRO 39 HA PRO 39 6.832 -11.232 -7.083 306 HB2 PRO 39 HB2 PRO 39 8.095 -10.690 -9.460 307 HB3 PRO 39 HB3 PRO 39 7.816 -12.351 -8.858 308 HG2 PRO 39 HG2 PRO 39 6.115 -10.772 -10.821 309 HG3 PRO 39 HG3 PRO 39 6.772 -12.430 -11.017 310 HD2 PRO 39 HD2 PRO 39 4.244 -12.027 -10.138 311 HD3 PRO 39 HD3 PRO 39 5.256 -13.322 -9.437 312 HA PRO 40 HA PRO 40 6.449 -6.790 -7.091 313 HB2 PRO 40 HB2 PRO 40 9.036 -5.889 -6.929 314 HB3 PRO 40 HB3 PRO 40 8.193 -6.724 -5.595 315 HG2 PRO 40 HG2 PRO 40 10.057 -7.945 -7.659 316 HG3 PRO 40 HG3 PRO 40 10.130 -8.109 -5.874 317 HD2 PRO 40 HD2 PRO 40 8.952 -10.002 -7.389 318 HD3 PRO 40 HD3 PRO 40 8.218 -9.514 -5.835 319 H ASP 41 H ASP 41 7.880 -8.356 -9.805 320 HA ASP 41 HA ASP 41 8.222 -5.980 -11.467 321 HB2 ASP 41 HB2 ASP 41 9.390 -8.189 -11.791 322 HB3 ASP 41 HB3 ASP 41 7.838 -8.897 -12.252 323 H THR 42 H THR 42 5.490 -8.028 -10.554 324 HA THR 42 HA THR 42 3.735 -6.686 -12.584 325 HB THR 42 HB THR 42 2.388 -8.735 -12.635 326 HG1 THR 42 HG1 THR 42 2.914 -9.600 -10.640 327 HG21 THR 42 HG21 THR 42 3.885 -10.152 -13.910 328 HG22 THR 42 HG22 THR 42 5.310 -9.329 -13.242 329 HG23 THR 42 HG23 THR 42 4.193 -8.450 -14.313 330 H THR 43 H THR 43 4.282 -6.678 -9.314 331 HA THR 43 HA THR 43 1.666 -5.377 -8.888 332 HB THR 43 HB THR 43 2.656 -7.686 -7.180 333 HG1 THR 43 HG1 THR 43 1.226 -7.970 -9.057 334 HG21 THR 43 HG21 THR 43 0.652 -7.212 -5.738 335 HG22 THR 43 HG22 THR 43 0.477 -5.646 -6.563 336 HG23 THR 43 HG23 THR 43 1.921 -5.991 -5.586 337 H ARG 44 H ARG 44 2.013 -3.443 -7.940 338 HA ARG 44 HA ARG 44 4.215 -3.073 -5.988 339 HB2 ARG 44 HB2 ARG 44 4.035 -1.483 -8.588 340 HB3 ARG 44 HB3 ARG 44 4.941 -0.952 -7.166 341 HG2 ARG 44 HG2 ARG 44 6.217 -3.156 -7.267 342 HG3 ARG 44 HG3 ARG 44 5.479 -3.408 -8.864 343 HD2 ARG 44 HD2 ARG 44 6.491 -1.312 -9.675 344 HD3 ARG 44 HD3 ARG 44 7.153 -0.995 -8.052 345 HE ARG 44 HE ARG 44 7.910 -3.591 -9.149 346 HH11 ARG 44 HH11 ARG 44 8.927 -0.231 -9.087 347 HH12 ARG 44 HH12 ARG 44 10.595 -0.641 -9.381 348 HH21 ARG 44 HH21 ARG 44 10.025 -4.034 -9.533 349 HH22 ARG 44 HH22 ARG 44 11.199 -2.751 -9.634 350 H LEU 45 H LEU 45 4.086 -1.323 -4.686 351 HA LEU 45 HA LEU 45 1.442 0.041 -4.472 352 HB2 LEU 45 HB2 LEU 45 2.114 -1.479 -2.604 353 HB3 LEU 45 HB3 LEU 45 3.575 -0.516 -2.378 354 HG LEU 45 HG LEU 45 2.220 1.442 -1.704 355 HD11 LEU 45 HD11 LEU 45 -0.027 -0.311 -2.634 356 HD12 LEU 45 HD12 LEU 45 0.103 1.483 -2.561 357 HD13 LEU 45 HD13 LEU 45 -0.308 0.542 -1.086 358 HD21 LEU 45 HD21 LEU 45 1.450 0.524 0.441 359 HD22 LEU 45 HD22 LEU 45 3.015 -0.145 -0.028 360 HD23 LEU 45 HD23 LEU 45 1.546 -1.127 -0.228 361 H THR 46 H THR 46 1.345 2.232 -4.318 362 HA THR 46 HA THR 46 3.854 3.816 -4.052 363 HB THR 46 HB THR 46 3.021 5.511 -5.599 364 HG1 THR 46 HG1 THR 46 1.055 3.580 -6.244 365 HG21 THR 46 HG21 THR 46 3.201 2.797 -6.970 366 HG22 THR 46 HG22 THR 46 4.581 3.792 -6.453 367 HG23 THR 46 HG23 THR 46 3.475 4.393 -7.701 368 H TYR 47 H TYR 47 3.617 5.877 -3.181 369 HA TYR 47 HA TYR 47 1.185 6.470 -1.579 370 HB2 TYR 47 HB2 TYR 47 2.538 5.050 -0.150 371 HB3 TYR 47 HB3 TYR 47 3.994 5.938 -0.557 372 HD1 TYR 47 HD1 TYR 47 0.649 7.374 0.459 373 HD2 TYR 47 HD2 TYR 47 4.750 6.634 1.560 374 HE1 TYR 47 HE1 TYR 47 0.403 8.894 2.403 375 HE2 TYR 47 HE2 TYR 47 4.488 8.120 3.532 376 HH TYR 47 HH TYR 47 3.108 9.551 4.662 377 H LYS 48 H LYS 48 0.751 8.606 -1.694 378 HA LYS 48 HA LYS 48 0.854 10.769 -2.412 379 HB2 LYS 48 HB2 LYS 48 2.305 10.624 -0.244 380 HB3 LYS 48 HB3 LYS 48 3.671 10.889 -1.323 381 HG2 LYS 48 HG2 LYS 48 2.378 13.014 -2.131 382 HG3 LYS 48 HG3 LYS 48 1.264 12.693 -0.806 383 HD2 LYS 48 HD2 LYS 48 2.832 14.333 -0.053 384 HD3 LYS 48 HD3 LYS 48 3.224 12.825 0.792 385 HE2 LYS 48 HE2 LYS 48 5.055 12.392 -0.842 386 HE3 LYS 48 HE3 LYS 48 4.620 13.858 -1.727 387 HZ1 LYS 48 HZ1 LYS 48 6.478 14.255 -0.220 388 HZ2 LYS 48 HZ2 LYS 48 5.605 13.791 1.079 389 HZ3 LYS 48 HZ3 LYS 48 5.200 15.148 0.259 390 H GLY 49 H GLY 49 1.570 8.879 -4.415 391 HA2 GLY 49 HA2 GLY 49 2.169 8.924 -6.647 392 HA3 GLY 49 HA3 GLY 49 2.781 10.564 -6.451 393 H ARG 50 H ARG 50 4.417 8.863 -4.121 394 HA ARG 50 HA ARG 50 6.787 8.304 -5.850 395 HB2 ARG 50 HB2 ARG 50 6.326 9.010 -2.954 396 HB3 ARG 50 HB3 ARG 50 7.688 7.971 -3.302 397 HG2 ARG 50 HG2 ARG 50 7.308 10.654 -4.706 398 HG3 ARG 50 HG3 ARG 50 8.129 10.455 -3.159 399 HD2 ARG 50 HD2 ARG 50 9.986 10.280 -4.430 400 HD3 ARG 50 HD3 ARG 50 9.526 8.592 -4.478 401 HE ARG 50 HE ARG 50 8.964 8.796 -6.754 402 HH11 ARG 50 HH11 ARG 50 9.722 11.993 -5.527 403 HH12 ARG 50 HH12 ARG 50 9.914 12.655 -7.130 404 HH21 ARG 50 HH21 ARG 50 9.179 9.723 -8.763 405 HH22 ARG 50 HH22 ARG 50 9.608 11.402 -8.899 406 H ALA 51 H ALA 51 7.916 6.371 -5.712 407 HA ALA 51 HA ALA 51 6.571 3.980 -4.581 408 HB1 ALA 51 HB1 ALA 51 7.742 3.746 -6.736 409 HB2 ALA 51 HB2 ALA 51 9.253 4.328 -5.995 410 HB3 ALA 51 HB3 ALA 51 8.537 2.790 -5.471 411 H LEU 52 H LEU 52 6.960 3.335 -2.534 412 HA LEU 52 HA LEU 52 9.415 4.095 -1.079 413 HB2 LEU 52 HB2 LEU 52 6.596 4.939 -0.358 414 HB3 LEU 52 HB3 LEU 52 7.726 4.578 0.936 415 HG LEU 52 HG LEU 52 8.329 6.636 -1.233 416 HD11 LEU 52 HD11 LEU 52 6.359 7.351 -0.001 417 HD12 LEU 52 HD12 LEU 52 7.756 8.327 0.470 418 HD13 LEU 52 HD13 LEU 52 7.181 7.039 1.554 419 HD21 LEU 52 HD21 LEU 52 9.556 6.099 1.520 420 HD22 LEU 52 HD22 LEU 52 9.982 7.447 0.442 421 HD23 LEU 52 HD23 LEU 52 10.338 5.791 -0.048 422 H LYS 53 H LYS 53 9.871 2.811 0.705 423 HA LYS 53 HA LYS 53 8.237 0.483 1.353 424 HB2 LYS 53 HB2 LYS 53 9.798 -1.243 0.640 425 HB3 LYS 53 HB3 LYS 53 9.210 -0.300 -0.717 426 HG2 LYS 53 HG2 LYS 53 11.441 1.045 -0.534 427 HG3 LYS 53 HG3 LYS 53 11.965 -0.239 0.561 428 HD2 LYS 53 HD2 LYS 53 12.828 -0.771 -1.571 429 HD3 LYS 53 HD3 LYS 53 11.498 -1.905 -1.291 430 HE2 LYS 53 HE2 LYS 53 10.010 -0.528 -2.717 431 HE3 LYS 53 HE3 LYS 53 11.278 0.691 -2.893 432 HZ1 LYS 53 HZ1 LYS 53 11.470 -2.103 -3.890 433 HZ2 LYS 53 HZ2 LYS 53 12.633 -0.965 -4.051 434 HZ3 LYS 53 HZ3 LYS 53 11.205 -0.785 -4.817 435 H ASP 54 H ASP 54 11.528 1.822 1.681 436 HA ASP 54 HA ASP 54 11.982 0.458 4.186 437 HB2 ASP 54 HB2 ASP 54 13.644 0.844 2.329 438 HB3 ASP 54 HB3 ASP 54 13.696 2.544 2.786 439 H THR 55 H THR 55 9.775 2.162 4.512 440 HA THR 55 HA THR 55 10.433 4.727 5.606 441 HB THR 55 HB THR 55 7.889 3.156 6.123 442 HG1 THR 55 HG1 THR 55 8.559 4.686 3.840 443 HG21 THR 55 HG21 THR 55 8.443 6.131 5.782 444 HG22 THR 55 HG22 THR 55 7.873 5.306 7.251 445 HG23 THR 55 HG23 THR 55 6.823 5.403 5.832 446 H GLU 56 H GLU 56 10.392 1.607 7.066 447 HA GLU 56 HA GLU 56 10.737 0.725 9.074 448 HB2 GLU 56 HB2 GLU 56 12.738 2.230 8.957 449 HB3 GLU 56 HB3 GLU 56 11.860 3.385 9.960 450 HG2 GLU 56 HG2 GLU 56 13.259 2.179 11.429 451 HG3 GLU 56 HG3 GLU 56 11.636 1.577 11.732 452 H THR 57 H THR 57 9.436 3.969 9.776 453 HA THR 57 HA THR 57 6.907 2.944 10.723 454 HB THR 57 HB THR 57 6.901 4.191 12.879 455 HG1 THR 57 HG1 THR 57 9.029 5.227 12.168 456 HG21 THR 57 HG21 THR 57 7.835 2.587 14.322 457 HG22 THR 57 HG22 THR 57 9.014 2.044 13.119 458 HG23 THR 57 HG23 THR 57 7.284 1.693 12.894 459 H LEU 58 H LEU 58 5.340 4.567 10.332 460 HA LEU 58 HA LEU 58 6.245 7.157 9.295 461 HB2 LEU 58 HB2 LEU 58 3.504 5.976 9.893 462 HB3 LEU 58 HB3 LEU 58 3.736 7.671 9.495 463 HG LEU 58 HG LEU 58 4.938 6.950 7.367 464 HD11 LEU 58 HD11 LEU 58 5.326 4.561 7.848 465 HD12 LEU 58 HD12 LEU 58 4.287 4.749 6.435 466 HD13 LEU 58 HD13 LEU 58 3.571 4.295 7.997 467 HD21 LEU 58 HD21 LEU 58 2.664 7.876 7.391 468 HD22 LEU 58 HD22 LEU 58 1.990 6.257 7.685 469 HD23 LEU 58 HD23 LEU 58 2.824 6.621 6.158 470 H GLU 59 H GLU 59 5.031 6.047 12.466 471 HA GLU 59 HA GLU 59 4.436 8.610 13.494 472 HB2 GLU 59 HB2 GLU 59 3.565 6.527 14.327 473 HB3 GLU 59 HB3 GLU 59 5.123 6.033 14.968 474 HG2 GLU 59 HG2 GLU 59 3.711 8.608 15.824 475 HG3 GLU 59 HG3 GLU 59 3.286 7.078 16.528 476 H SER 60 H SER 60 7.612 7.037 13.401 477 HA SER 60 HA SER 60 8.899 8.786 15.286 478 HB2 SER 60 HB2 SER 60 10.103 7.303 12.918 479 HB3 SER 60 HB3 SER 60 11.008 8.100 14.213 480 HG SER 60 HG SER 60 9.544 5.725 14.256 481 H LEU 61 H LEU 61 7.797 9.432 12.065 482 HA LEU 61 HA LEU 61 9.368 11.987 11.953 483 HB2 LEU 61 HB2 LEU 61 7.963 10.479 9.707 484 HB3 LEU 61 HB3 LEU 61 8.771 12.035 9.584 485 HG LEU 61 HG LEU 61 10.853 10.639 10.595 486 HD11 LEU 61 HD11 LEU 61 9.636 8.458 10.696 487 HD12 LEU 61 HD12 LEU 61 10.971 8.406 9.543 488 HD13 LEU 61 HD13 LEU 61 9.302 8.571 8.961 489 HD21 LEU 61 HD21 LEU 61 10.869 11.922 8.504 490 HD22 LEU 61 HD22 LEU 61 9.995 10.612 7.672 491 HD23 LEU 61 HD23 LEU 61 11.645 10.349 8.280 492 H GLY 62 H GLY 62 6.100 10.605 11.583 493 HA2 GLY 62 HA2 GLY 62 4.550 12.275 13.019 494 HA3 GLY 62 HA3 GLY 62 4.795 13.255 11.569 495 H VAL 63 H VAL 63 3.241 10.450 12.907 496 HA VAL 63 HA VAL 63 2.008 9.564 10.388 497 HB VAL 63 HB VAL 63 2.598 7.973 12.179 498 HG11 VAL 63 HG11 VAL 63 0.236 9.119 13.726 499 HG12 VAL 63 HG12 VAL 63 1.211 7.702 14.160 500 HG13 VAL 63 HG13 VAL 63 1.939 9.315 14.178 501 HG21 VAL 63 HG21 VAL 63 0.903 7.415 10.473 502 HG22 VAL 63 HG22 VAL 63 0.633 6.594 12.016 503 HG23 VAL 63 HG23 VAL 63 -0.374 7.989 11.574 504 H ALA 64 H ALA 64 -0.232 9.749 9.866 505 HA ALA 64 HA ALA 64 -1.769 11.894 11.243 506 HB1 ALA 64 HB1 ALA 64 -0.291 12.938 9.546 507 HB2 ALA 64 HB2 ALA 64 -0.997 11.887 8.292 508 HB3 ALA 64 HB3 ALA 64 -1.997 13.104 9.119 509 H ASP 65 H ASP 65 -3.848 12.287 9.892 510 HA ASP 65 HA ASP 65 -5.315 9.714 9.540 511 HB2 ASP 65 HB2 ASP 65 -6.143 11.300 11.239 512 HB3 ASP 65 HB3 ASP 65 -6.237 12.577 10.023 513 H GLY 66 H GLY 66 -6.199 9.170 7.578 514 HA2 GLY 66 HA2 GLY 66 -7.134 9.418 5.490 515 HA3 GLY 66 HA3 GLY 66 -6.900 11.160 5.583 516 H ASP 67 H ASP 67 -4.062 9.156 5.967 517 HA ASP 67 HA ASP 67 -2.802 10.034 3.496 518 HB2 ASP 67 HB2 ASP 67 -2.067 7.792 5.413 519 HB3 ASP 67 HB3 ASP 67 -1.054 8.382 4.101 520 H LYS 68 H LYS 68 -2.408 8.863 1.576 521 HA LYS 68 HA LYS 68 -4.351 6.643 1.094 522 HB2 LYS 68 HB2 LYS 68 -3.820 8.967 -0.783 523 HB3 LYS 68 HB3 LYS 68 -4.999 7.656 -0.983 524 HG2 LYS 68 HG2 LYS 68 -6.137 8.438 1.140 525 HG3 LYS 68 HG3 LYS 68 -5.001 9.801 1.159 526 HD2 LYS 68 HD2 LYS 68 -5.869 10.578 -1.023 527 HD3 LYS 68 HD3 LYS 68 -6.993 9.203 -1.065 528 HE2 LYS 68 HE2 LYS 68 -8.168 11.203 -0.313 529 HE3 LYS 68 HE3 LYS 68 -8.096 10.007 0.986 530 HZ1 LYS 68 HZ1 LYS 68 -7.577 12.263 1.765 531 HZ2 LYS 68 HZ2 LYS 68 -6.283 12.354 0.773 532 HZ3 LYS 68 HZ3 LYS 68 -6.314 11.279 2.021 533 H PHE 69 H PHE 69 -3.795 4.972 0.012 534 HA PHE 69 HA PHE 69 -1.112 4.808 -1.303 535 HB2 PHE 69 HB2 PHE 69 -2.691 2.760 0.305 536 HB3 PHE 69 HB3 PHE 69 -1.170 2.454 -0.522 537 HD1 PHE 69 HD1 PHE 69 0.944 3.360 0.278 538 HD2 PHE 69 HD2 PHE 69 -2.735 4.142 2.382 539 HE1 PHE 69 HE1 PHE 69 2.222 4.245 2.208 540 HE2 PHE 69 HE2 PHE 69 -1.444 4.993 4.327 541 HZ PHE 69 HZ PHE 69 1.041 5.050 4.241 542 H VAL 70 H VAL 70 -0.928 3.791 -3.274 543 HA VAL 70 HA VAL 70 -3.441 2.738 -4.544 544 HB VAL 70 HB VAL 70 -1.305 4.390 -5.919 545 HG11 VAL 70 HG11 VAL 70 -3.925 3.213 -6.949 546 HG12 VAL 70 HG12 VAL 70 -2.870 4.329 -7.845 547 HG13 VAL 70 HG13 VAL 70 -2.288 2.715 -7.435 548 HG21 VAL 70 HG21 VAL 70 -3.108 6.064 -6.222 549 HG22 VAL 70 HG22 VAL 70 -4.178 5.095 -5.185 550 HG23 VAL 70 HG23 VAL 70 -2.707 5.835 -4.520 551 H LEU 71 H LEU 71 -3.323 0.729 -5.189 552 HA LEU 71 HA LEU 71 -0.652 -0.609 -5.359 553 HB2 LEU 71 HB2 LEU 71 -2.134 -1.135 -3.397 554 HB3 LEU 71 HB3 LEU 71 -3.342 -1.729 -4.503 555 HG LEU 71 HG LEU 71 -2.259 -3.544 -3.500 556 HD11 LEU 71 HD11 LEU 71 -1.505 -4.888 -5.329 557 HD12 LEU 71 HD12 LEU 71 -1.013 -3.497 -6.269 558 HD13 LEU 71 HD13 LEU 71 -2.755 -3.809 -5.951 559 HD21 LEU 71 HD21 LEU 71 0.163 -4.040 -3.721 560 HD22 LEU 71 HD22 LEU 71 -0.176 -2.589 -2.761 561 HD23 LEU 71 HD23 LEU 71 0.407 -2.454 -4.446 562 H ILE 72 H ILE 72 -0.106 -1.027 -7.363 563 HA ILE 72 HA ILE 72 -2.161 -1.349 -9.505 564 HB ILE 72 HB ILE 72 0.760 -0.527 -9.613 565 HG12 ILE 72 HG12 ILE 72 -1.807 1.037 -10.178 566 HG13 ILE 72 HG13 ILE 72 -0.822 1.193 -8.726 567 HG21 ILE 72 HG21 ILE 72 0.202 -1.830 -11.639 568 HG22 ILE 72 HG22 ILE 72 -1.236 -0.816 -11.908 569 HG23 ILE 72 HG23 ILE 72 0.400 -0.139 -12.037 570 HD11 ILE 72 HD11 ILE 72 -0.302 3.038 -10.123 571 HD12 ILE 72 HD12 ILE 72 1.104 1.957 -10.139 572 HD13 ILE 72 HD13 ILE 72 -0.009 2.010 -11.531 573 H THR 73 H THR 73 -2.192 -3.132 -10.820 574 HA THR 73 HA THR 73 -0.227 -5.315 -10.369 575 HB THR 73 HB THR 73 -1.885 -7.014 -10.264 576 HG1 THR 73 HG1 THR 73 -3.848 -4.967 -10.312 577 HG21 THR 73 HG21 THR 73 -2.940 -6.643 -8.124 578 HG22 THR 73 HG22 THR 73 -2.724 -4.883 -8.255 579 HG23 THR 73 HG23 THR 73 -1.312 -5.950 -8.095 580 H ARG 74 H ARG 74 -0.081 -6.863 -12.023 581 HA ARG 74 HA ARG 74 -1.178 -6.165 -14.724 582 HB2 ARG 74 HB2 ARG 74 1.657 -6.535 -13.776 583 HB3 ARG 74 HB3 ARG 74 1.259 -7.206 -15.343 584 HG2 ARG 74 HG2 ARG 74 0.431 -4.351 -14.778 585 HG3 ARG 74 HG3 ARG 74 2.141 -4.687 -15.047 586 HD2 ARG 74 HD2 ARG 74 -0.047 -5.564 -16.977 587 HD3 ARG 74 HD3 ARG 74 0.831 -4.034 -17.115 588 HE ARG 74 HE ARG 74 2.859 -5.900 -16.936 589 HH11 ARG 74 HH11 ARG 74 0.209 -5.511 -19.211 590 HH12 ARG 74 HH12 ARG 74 1.100 -6.269 -20.505 591 HH21 ARG 74 HH21 ARG 74 3.919 -6.853 -18.619 592 HH22 ARG 74 HH22 ARG 74 3.149 -7.001 -20.174 593 H THR 75 H THR 75 -1.502 -7.835 -16.145 594 HA THR 75 HA THR 75 -0.970 -10.613 -15.459 595 HB THR 75 HB THR 75 -3.033 -10.197 -14.170 596 HG1 THR 75 HG1 THR 75 -4.080 -11.988 -14.967 597 HG21 THR 75 HG21 THR 75 -4.400 -9.763 -16.867 598 HG22 THR 75 HG22 THR 75 -4.132 -8.505 -15.640 599 HG23 THR 75 HG23 THR 75 -5.182 -9.880 -15.277 600 H VAL 76 H VAL 76 -1.489 -12.074 -17.219 601 HA VAL 76 HA VAL 76 -1.873 -10.891 -19.909 602 HB VAL 76 HB VAL 76 0.600 -12.504 -19.156 603 HG11 VAL 76 HG11 VAL 76 -0.112 -13.090 -21.426 604 HG12 VAL 76 HG12 VAL 76 -0.274 -11.369 -21.850 605 HG13 VAL 76 HG13 VAL 76 1.317 -12.071 -21.502 606 HG21 VAL 76 HG21 VAL 76 1.865 -10.482 -19.882 607 HG22 VAL 76 HG22 VAL 76 0.332 -9.596 -20.045 608 HG23 VAL 76 HG23 VAL 76 0.884 -10.174 -18.454 609 H GLY 77 H GLY 77 -2.795 -12.289 -21.355 610 HA2 GLY 77 HA2 GLY 77 -2.987 -15.190 -20.890 611 HA3 GLY 77 HA3 GLY 77 -4.508 -14.306 -20.747 Start of MODEL 2 1 HA MET 1 HA MET 1 -5.750 6.955 12.583 2 HB2 MET 1 HB2 MET 1 -3.334 5.344 11.648 3 HB3 MET 1 HB3 MET 1 -3.949 6.810 10.871 4 HG2 MET 1 HG2 MET 1 -3.565 8.085 12.952 5 HG3 MET 1 HG3 MET 1 -2.876 6.648 13.715 6 HE1 MET 1 HE1 MET 1 0.516 6.172 11.852 7 HE2 MET 1 HE2 MET 1 -0.564 5.592 13.138 8 HE3 MET 1 HE3 MET 1 -1.003 5.356 11.429 9 H LYS 2 H LYS 2 -7.093 7.000 10.906 10 HA LYS 2 HA LYS 2 -7.807 4.493 9.450 11 HB2 LYS 2 HB2 LYS 2 -8.978 7.298 9.532 12 HB3 LYS 2 HB3 LYS 2 -9.414 6.160 8.265 13 HG2 LYS 2 HG2 LYS 2 -9.764 5.535 11.229 14 HG3 LYS 2 HG3 LYS 2 -11.002 6.292 10.222 15 HD2 LYS 2 HD2 LYS 2 -10.984 4.325 8.696 16 HD3 LYS 2 HD3 LYS 2 -9.803 3.523 9.756 17 HE2 LYS 2 HE2 LYS 2 -11.376 3.591 11.633 18 HE3 LYS 2 HE3 LYS 2 -12.541 4.506 10.669 19 HZ1 LYS 2 HZ1 LYS 2 -13.098 2.146 10.724 20 HZ2 LYS 2 HZ2 LYS 2 -11.663 1.728 10.069 21 HZ3 LYS 2 HZ3 LYS 2 -12.753 2.586 9.193 22 H ILE 3 H ILE 3 -7.504 4.249 7.297 23 HA ILE 3 HA ILE 3 -6.224 6.353 5.675 24 HB ILE 3 HB ILE 3 -4.726 4.710 4.597 25 HG12 ILE 3 HG12 ILE 3 -5.167 2.860 6.969 26 HG13 ILE 3 HG13 ILE 3 -6.012 2.651 5.433 27 HG21 ILE 3 HG21 ILE 3 -2.966 4.793 6.303 28 HG22 ILE 3 HG22 ILE 3 -3.890 6.299 6.272 29 HG23 ILE 3 HG23 ILE 3 -4.164 5.116 7.561 30 HD11 ILE 3 HD11 ILE 3 -2.982 2.577 5.777 31 HD12 ILE 3 HD12 ILE 3 -4.052 1.206 5.471 32 HD13 ILE 3 HD13 ILE 3 -3.847 2.450 4.228 33 H LYS 4 H LYS 4 -6.515 5.984 3.361 34 HA LYS 4 HA LYS 4 -8.732 4.058 2.692 35 HB2 LYS 4 HB2 LYS 4 -8.299 6.837 1.549 36 HB3 LYS 4 HB3 LYS 4 -9.430 5.627 0.914 37 HG2 LYS 4 HG2 LYS 4 -10.442 5.512 3.254 38 HG3 LYS 4 HG3 LYS 4 -9.514 6.960 3.652 39 HD2 LYS 4 HD2 LYS 4 -11.616 6.691 1.455 40 HD3 LYS 4 HD3 LYS 4 -11.841 7.474 3.024 41 HE2 LYS 4 HE2 LYS 4 -10.061 9.132 2.435 42 HE3 LYS 4 HE3 LYS 4 -9.906 8.376 0.843 43 HZ1 LYS 4 HZ1 LYS 4 -12.381 9.652 1.887 44 HZ2 LYS 4 HZ2 LYS 4 -12.242 8.953 0.417 45 HZ3 LYS 4 HZ3 LYS 4 -11.391 10.301 0.767 46 H ILE 5 H ILE 5 -7.903 2.386 1.691 47 HA ILE 5 HA ILE 5 -5.629 2.786 -0.178 48 HB ILE 5 HB ILE 5 -5.381 1.061 1.518 49 HG12 ILE 5 HG12 ILE 5 -5.465 -0.162 -1.273 50 HG13 ILE 5 HG13 ILE 5 -4.295 1.072 -0.793 51 HG21 ILE 5 HG21 ILE 5 -7.569 -0.484 0.047 52 HG22 ILE 5 HG22 ILE 5 -6.590 -1.064 1.407 53 HG23 ILE 5 HG23 ILE 5 -7.738 0.249 1.655 54 HD11 ILE 5 HD11 ILE 5 -3.490 -0.406 1.049 55 HD12 ILE 5 HD12 ILE 5 -4.563 -1.692 0.440 56 HD13 ILE 5 HD13 ILE 5 -3.249 -1.072 -0.574 57 H VAL 6 H VAL 6 -5.755 2.515 -2.318 58 HA VAL 6 HA VAL 6 -8.429 1.968 -3.552 59 HB VAL 6 HB VAL 6 -6.368 3.911 -4.615 60 HG11 VAL 6 HG11 VAL 6 -8.011 3.004 -6.245 61 HG12 VAL 6 HG12 VAL 6 -9.342 3.499 -5.173 62 HG13 VAL 6 HG13 VAL 6 -8.292 4.718 -5.927 63 HG21 VAL 6 HG21 VAL 6 -8.728 4.445 -2.784 64 HG22 VAL 6 HG22 VAL 6 -7.031 4.872 -2.516 65 HG23 VAL 6 HG23 VAL 6 -7.944 5.695 -3.781 66 HA PRO 7 HA PRO 7 -5.560 -1.034 -5.491 67 HB2 PRO 7 HB2 PRO 7 -7.069 -3.273 -5.356 68 HB3 PRO 7 HB3 PRO 7 -6.238 -2.601 -3.927 69 HG2 PRO 7 HG2 PRO 7 -9.145 -2.236 -4.719 70 HG3 PRO 7 HG3 PRO 7 -8.477 -2.689 -3.121 71 HD2 PRO 7 HD2 PRO 7 -9.150 -0.106 -3.802 72 HD3 PRO 7 HD3 PRO 7 -7.831 -0.495 -2.659 73 H ALA 8 H ALA 8 -5.322 -0.897 -7.612 74 HA ALA 8 HA ALA 8 -7.488 -0.381 -9.455 75 HB1 ALA 8 HB1 ALA 8 -5.684 -0.181 -11.086 76 HB2 ALA 8 HB2 ALA 8 -5.233 0.648 -9.584 77 HB3 ALA 8 HB3 ALA 8 -4.543 -0.948 -9.962 78 H VAL 9 H VAL 9 -7.972 -2.871 -8.226 79 HA VAL 9 HA VAL 9 -7.053 -5.093 -9.884 80 HB VAL 9 HB VAL 9 -8.373 -6.491 -8.296 81 HG11 VAL 9 HG11 VAL 9 -6.023 -6.094 -7.934 82 HG12 VAL 9 HG12 VAL 9 -6.343 -4.544 -7.138 83 HG13 VAL 9 HG13 VAL 9 -6.862 -6.059 -6.375 84 HG21 VAL 9 HG21 VAL 9 -10.111 -4.829 -7.605 85 HG22 VAL 9 HG22 VAL 9 -9.245 -5.529 -6.235 86 HG23 VAL 9 HG23 VAL 9 -8.861 -3.888 -6.773 87 H GLY 10 H GLY 10 -8.210 -3.659 -11.703 88 HA2 GLY 10 HA2 GLY 10 -9.670 -3.878 -13.496 89 HA3 GLY 10 HA3 GLY 10 -10.332 -5.337 -12.755 90 H GLY 11 H GLY 11 -10.258 -1.844 -11.898 91 HA2 GLY 11 HA2 GLY 11 -12.022 -0.332 -11.655 92 HA3 GLY 11 HA3 GLY 11 -13.197 -1.611 -11.949 93 H GLY 12 H GLY 12 -10.711 -2.033 -9.477 94 HA2 GLY 12 HA2 GLY 12 -12.551 -2.538 -7.358 95 HA3 GLY 12 HA3 GLY 12 -10.822 -2.266 -7.177 96 H SER 13 H SER 13 -13.325 -1.340 -5.693 97 HA SER 13 HA SER 13 -13.347 1.572 -5.935 98 HB2 SER 13 HB2 SER 13 -15.092 1.397 -4.158 99 HB3 SER 13 HB3 SER 13 -15.429 0.426 -5.593 100 HG SER 13 HG SER 13 -14.530 -0.446 -3.039 101 HA PRO 14 HA PRO 14 -10.554 2.511 -2.514 102 HB2 PRO 14 HB2 PRO 14 -11.758 4.690 -1.350 103 HB3 PRO 14 HB3 PRO 14 -10.914 4.768 -2.925 104 HG2 PRO 14 HG2 PRO 14 -13.886 4.418 -2.455 105 HG3 PRO 14 HG3 PRO 14 -13.061 5.594 -3.532 106 HD2 PRO 14 HD2 PRO 14 -14.035 3.286 -4.514 107 HD3 PRO 14 HD3 PRO 14 -12.449 3.891 -5.072 108 H LEU 15 H LEU 15 -10.348 1.941 -0.362 109 HA LEU 15 HA LEU 15 -12.789 1.209 1.193 110 HB2 LEU 15 HB2 LEU 15 -10.950 -0.599 -0.036 111 HB3 LEU 15 HB3 LEU 15 -10.530 -0.601 1.657 112 HG LEU 15 HG LEU 15 -12.052 -2.385 1.179 113 HD11 LEU 15 HD11 LEU 15 -12.299 -1.254 3.380 114 HD12 LEU 15 HD12 LEU 15 -13.788 -2.033 2.818 115 HD13 LEU 15 HD13 LEU 15 -13.623 -0.273 2.709 116 HD21 LEU 15 HD21 LEU 15 -14.118 -0.352 0.257 117 HD22 LEU 15 HD22 LEU 15 -14.308 -2.112 0.354 118 HD23 LEU 15 HD23 LEU 15 -13.168 -1.409 -0.808 119 H GLU 16 H GLU 16 -12.843 1.978 3.170 120 HA GLU 16 HA GLU 16 -10.595 3.361 4.438 121 HB2 GLU 16 HB2 GLU 16 -13.405 2.669 5.360 122 HB3 GLU 16 HB3 GLU 16 -12.244 3.575 6.338 123 HG2 GLU 16 HG2 GLU 16 -12.158 5.376 4.733 124 HG3 GLU 16 HG3 GLU 16 -13.176 4.497 3.587 125 H LEU 17 H LEU 17 -9.164 2.521 5.842 126 HA LEU 17 HA LEU 17 -9.736 0.006 7.318 127 HB2 LEU 17 HB2 LEU 17 -7.986 0.239 5.027 128 HB3 LEU 17 HB3 LEU 17 -6.969 0.062 6.428 129 HG LEU 17 HG LEU 17 -7.354 -2.065 5.415 130 HD11 LEU 17 HD11 LEU 17 -8.978 -2.022 7.991 131 HD12 LEU 17 HD12 LEU 17 -7.198 -2.005 7.899 132 HD13 LEU 17 HD13 LEU 17 -8.110 -3.390 7.279 133 HD21 LEU 17 HD21 LEU 17 -10.334 -1.793 5.939 134 HD22 LEU 17 HD22 LEU 17 -9.485 -3.152 5.181 135 HD23 LEU 17 HD23 LEU 17 -9.557 -1.584 4.353 136 H GLU 18 H GLU 18 -8.557 -0.265 9.226 137 HA GLU 18 HA GLU 18 -7.374 2.148 10.478 138 HB2 GLU 18 HB2 GLU 18 -9.042 0.884 11.731 139 HB3 GLU 18 HB3 GLU 18 -8.119 -0.588 11.527 140 HG2 GLU 18 HG2 GLU 18 -7.868 0.226 13.768 141 HG3 GLU 18 HG3 GLU 18 -6.321 0.227 12.953 142 H VAL 19 H VAL 19 -5.176 2.325 11.006 143 HA VAL 19 HA VAL 19 -3.398 -0.019 10.665 144 HB VAL 19 HB VAL 19 -3.523 1.146 8.466 145 HG11 VAL 19 HG11 VAL 19 -2.366 3.254 8.114 146 HG12 VAL 19 HG12 VAL 19 -3.695 3.495 9.262 147 HG13 VAL 19 HG13 VAL 19 -2.016 3.416 9.841 148 HG21 VAL 19 HG21 VAL 19 -1.558 -0.216 9.136 149 HG22 VAL 19 HG22 VAL 19 -1.156 1.094 8.014 150 HG23 VAL 19 HG23 VAL 19 -0.760 1.262 9.733 151 H ALA 20 H ALA 20 -1.573 -0.046 11.872 152 HA ALA 20 HA ALA 20 -1.408 1.778 14.152 153 HB1 ALA 20 HB1 ALA 20 0.205 -0.697 13.376 154 HB2 ALA 20 HB2 ALA 20 0.266 0.127 14.947 155 HB3 ALA 20 HB3 ALA 20 -1.228 -0.670 14.429 156 HA PRO 21 HA PRO 21 1.942 4.319 12.538 157 HB2 PRO 21 HB2 PRO 21 3.316 4.995 14.815 158 HB3 PRO 21 HB3 PRO 21 1.699 5.641 14.413 159 HG2 PRO 21 HG2 PRO 21 2.361 3.289 16.219 160 HG3 PRO 21 HG3 PRO 21 1.293 4.687 16.572 161 HD2 PRO 21 HD2 PRO 21 0.280 2.335 15.712 162 HD3 PRO 21 HD3 PRO 21 -0.395 3.879 15.117 163 H ASN 22 H ASN 22 2.661 1.452 14.426 164 HA ASN 22 HA ASN 22 5.486 1.301 13.719 165 HB2 ASN 22 HB2 ASN 22 3.578 -0.708 14.992 166 HB3 ASN 22 HB3 ASN 22 5.315 -0.936 14.834 167 HD21 ASN 22 HD21 ASN 22 4.110 -1.092 17.316 168 HD22 ASN 22 HD22 ASN 22 4.643 0.288 18.267 169 H ALA 23 H ALA 23 2.863 0.894 11.699 170 HA ALA 23 HA ALA 23 3.404 -1.558 10.378 171 HB1 ALA 23 HB1 ALA 23 2.131 -0.564 8.510 172 HB2 ALA 23 HB2 ALA 23 1.334 -0.286 10.070 173 HB3 ALA 23 HB3 ALA 23 2.236 1.030 9.284 174 H THR 24 H THR 24 4.666 -2.144 8.686 175 HA THR 24 HA THR 24 6.947 -0.342 7.937 176 HB THR 24 HB THR 24 6.940 -3.343 8.429 177 HG1 THR 24 HG1 THR 24 6.935 -2.043 10.297 178 HG21 THR 24 HG21 THR 24 9.431 -3.115 8.207 179 HG22 THR 24 HG22 THR 24 9.192 -1.473 7.570 180 HG23 THR 24 HG23 THR 24 8.569 -2.889 6.687 181 H VAL 25 H VAL 25 7.303 -0.032 5.809 182 HA VAL 25 HA VAL 25 5.351 -0.749 3.913 183 HB VAL 25 HB VAL 25 6.890 0.160 2.207 184 HG11 VAL 25 HG11 VAL 25 6.546 1.737 4.790 185 HG12 VAL 25 HG12 VAL 25 7.063 2.434 3.263 186 HG13 VAL 25 HG13 VAL 25 5.462 1.681 3.385 187 HG21 VAL 25 HG21 VAL 25 9.032 1.153 2.860 188 HG22 VAL 25 HG22 VAL 25 8.908 0.443 4.478 189 HG23 VAL 25 HG23 VAL 25 9.077 -0.601 3.047 190 H GLY 26 H GLY 26 8.379 -2.467 4.616 191 HA2 GLY 26 HA2 GLY 26 8.282 -4.316 2.413 192 HA3 GLY 26 HA3 GLY 26 9.105 -4.559 3.958 193 H ALA 27 H ALA 27 6.753 -4.379 5.660 194 HA ALA 27 HA ALA 27 5.685 -7.068 5.389 195 HB1 ALA 27 HB1 ALA 27 4.429 -6.498 7.412 196 HB2 ALA 27 HB2 ALA 27 6.125 -6.011 7.586 197 HB3 ALA 27 HB3 ALA 27 4.873 -4.790 7.253 198 H VAL 28 H VAL 28 4.353 -3.764 4.865 199 HA VAL 28 HA VAL 28 1.741 -4.610 4.014 200 HB VAL 28 HB VAL 28 3.280 -2.089 3.287 201 HG11 VAL 28 HG11 VAL 28 0.298 -2.707 3.059 202 HG12 VAL 28 HG12 VAL 28 1.054 -1.121 2.793 203 HG13 VAL 28 HG13 VAL 28 1.414 -2.460 1.702 204 HG21 VAL 28 HG21 VAL 28 1.153 -2.599 5.421 205 HG22 VAL 28 HG22 VAL 28 2.875 -2.325 5.735 206 HG23 VAL 28 HG23 VAL 28 1.897 -1.031 5.041 207 H ARG 29 H ARG 29 4.699 -3.919 2.077 208 HA ARG 29 HA ARG 29 3.738 -4.658 -0.495 209 HB2 ARG 29 HB2 ARG 29 5.934 -3.594 -0.049 210 HB3 ARG 29 HB3 ARG 29 6.477 -5.035 0.790 211 HG2 ARG 29 HG2 ARG 29 5.758 -6.050 -1.735 212 HG3 ARG 29 HG3 ARG 29 6.335 -4.438 -2.109 213 HD2 ARG 29 HD2 ARG 29 8.177 -5.938 -2.282 214 HD3 ARG 29 HD3 ARG 29 8.452 -4.965 -0.832 215 HE ARG 29 HE ARG 29 7.266 -7.107 0.289 216 HH11 ARG 29 HH11 ARG 29 9.880 -7.083 -2.046 217 HH12 ARG 29 HH12 ARG 29 10.465 -8.637 -1.523 218 HH21 ARG 29 HH21 ARG 29 8.094 -9.032 0.941 219 HH22 ARG 29 HH22 ARG 29 9.475 -9.711 0.117 220 H THR 30 H THR 30 5.211 -6.750 2.025 221 HA THR 30 HA THR 30 5.032 -9.161 0.481 222 HB THR 30 HB THR 30 5.186 -8.859 3.503 223 HG1 THR 30 HG1 THR 30 6.932 -7.931 2.700 224 HG21 THR 30 HG21 THR 30 4.597 -11.172 2.914 225 HG22 THR 30 HG22 THR 30 6.297 -11.088 3.391 226 HG23 THR 30 HG23 THR 30 5.868 -11.205 1.670 227 H LYS 31 H LYS 31 2.752 -7.777 2.897 228 HA LYS 31 HA LYS 31 0.781 -9.841 2.764 229 HB2 LYS 31 HB2 LYS 31 0.810 -8.058 4.477 230 HB3 LYS 31 HB3 LYS 31 0.509 -6.839 3.251 231 HG2 LYS 31 HG2 LYS 31 -1.526 -7.299 4.483 232 HG3 LYS 31 HG3 LYS 31 -1.721 -7.746 2.798 233 HD2 LYS 31 HD2 LYS 31 -2.784 -9.389 4.227 234 HD3 LYS 31 HD3 LYS 31 -1.429 -10.147 3.389 235 HE2 LYS 31 HE2 LYS 31 -0.021 -9.904 5.419 236 HE3 LYS 31 HE3 LYS 31 -1.335 -9.056 6.244 237 HZ1 LYS 31 HZ1 LYS 31 -1.273 -11.399 6.864 238 HZ2 LYS 31 HZ2 LYS 31 -1.454 -11.879 5.315 239 HZ3 LYS 31 HZ3 LYS 31 -2.667 -11.091 6.078 240 H VAL 32 H VAL 32 1.095 -6.866 0.779 241 HA VAL 32 HA VAL 32 -1.144 -7.376 -0.928 242 HB VAL 32 HB VAL 32 1.374 -5.716 -1.231 243 HG11 VAL 32 HG11 VAL 32 0.262 -4.630 -3.195 244 HG12 VAL 32 HG12 VAL 32 0.842 -6.265 -3.507 245 HG13 VAL 32 HG13 VAL 32 -0.894 -5.984 -3.238 246 HG21 VAL 32 HG21 VAL 32 -0.233 -3.857 -0.995 247 HG22 VAL 32 HG22 VAL 32 -1.578 -5.016 -0.892 248 HG23 VAL 32 HG23 VAL 32 -0.355 -4.954 0.384 249 H CYS 33 H CYS 33 2.319 -8.266 -1.421 250 HA CYS 33 HA CYS 33 1.901 -9.600 -3.917 251 HB2 CYS 33 HB2 CYS 33 4.043 -9.997 -1.781 252 HB3 CYS 33 HB3 CYS 33 4.094 -10.661 -3.425 253 HG CYS 33 HG CYS 33 4.013 -7.512 -2.416 254 H ALA 34 H ALA 34 1.741 -10.876 -0.554 255 HA ALA 34 HA ALA 34 1.236 -13.598 -1.299 256 HB1 ALA 34 HB1 ALA 34 2.029 -12.911 0.927 257 HB2 ALA 34 HB2 ALA 34 0.501 -12.053 1.228 258 HB3 ALA 34 HB3 ALA 34 0.511 -13.820 1.049 259 H MET 35 H MET 35 -1.013 -10.873 -0.595 260 HA MET 35 HA MET 35 -3.436 -12.360 -0.877 261 HB2 MET 35 HB2 MET 35 -2.782 -9.405 -1.182 262 HB3 MET 35 HB3 MET 35 -4.425 -10.022 -1.291 263 HG2 MET 35 HG2 MET 35 -2.911 -10.887 1.134 264 HG3 MET 35 HG3 MET 35 -3.228 -9.166 0.998 265 HE1 MET 35 HE1 MET 35 -5.676 -12.114 -0.273 266 HE2 MET 35 HE2 MET 35 -4.877 -12.745 1.189 267 HE3 MET 35 HE3 MET 35 -6.609 -12.352 1.216 268 H LYS 36 H LYS 36 -1.585 -10.492 -3.322 269 HA LYS 36 HA LYS 36 -3.446 -11.281 -5.496 270 HB2 LYS 36 HB2 LYS 36 -0.826 -9.730 -5.541 271 HB3 LYS 36 HB3 LYS 36 -1.908 -9.947 -6.910 272 HG2 LYS 36 HG2 LYS 36 -2.504 -8.351 -4.381 273 HG3 LYS 36 HG3 LYS 36 -2.168 -7.747 -5.993 274 HD2 LYS 36 HD2 LYS 36 -4.435 -7.518 -5.957 275 HD3 LYS 36 HD3 LYS 36 -4.295 -9.106 -6.719 276 HE2 LYS 36 HE2 LYS 36 -4.684 -10.154 -4.451 277 HE3 LYS 36 HE3 LYS 36 -4.853 -8.539 -3.761 278 HZ1 LYS 36 HZ1 LYS 36 -6.797 -8.208 -5.191 279 HZ2 LYS 36 HZ2 LYS 36 -7.008 -9.547 -4.288 280 HZ3 LYS 36 HZ3 LYS 36 -6.618 -9.689 -5.865 281 H LYS 37 H LYS 37 -0.876 -12.836 -4.030 282 HA LYS 37 HA LYS 37 0.504 -14.542 -4.483 283 HB2 LYS 37 HB2 LYS 37 -1.697 -15.216 -6.463 284 HB3 LYS 37 HB3 LYS 37 -0.358 -16.302 -6.201 285 HG2 LYS 37 HG2 LYS 37 -1.902 -15.366 -3.781 286 HG3 LYS 37 HG3 LYS 37 -2.653 -16.505 -4.878 287 HD2 LYS 37 HD2 LYS 37 -1.608 -17.629 -3.004 288 HD3 LYS 37 HD3 LYS 37 -0.935 -18.164 -4.532 289 HE2 LYS 37 HE2 LYS 37 0.465 -16.000 -2.925 290 HE3 LYS 37 HE3 LYS 37 0.570 -17.676 -2.405 291 HZ1 LYS 37 HZ1 LYS 37 2.420 -17.131 -3.854 292 HZ2 LYS 37 HZ2 LYS 37 1.430 -16.754 -5.098 293 HZ3 LYS 37 HZ3 LYS 37 1.504 -18.286 -4.539 294 H LEU 38 H LEU 38 0.803 -12.013 -6.143 295 HA LEU 38 HA LEU 38 2.644 -13.051 -8.250 296 HB2 LEU 38 HB2 LEU 38 0.458 -11.004 -8.366 297 HB3 LEU 38 HB3 LEU 38 1.972 -10.541 -9.101 298 HG LEU 38 HG LEU 38 1.942 -12.685 -10.447 299 HD11 LEU 38 HD11 LEU 38 -0.247 -13.771 -10.806 300 HD12 LEU 38 HD12 LEU 38 -0.954 -12.793 -9.503 301 HD13 LEU 38 HD13 LEU 38 0.304 -13.996 -9.146 302 HD21 LEU 38 HD21 LEU 38 -0.352 -10.723 -10.845 303 HD22 LEU 38 HD22 LEU 38 0.316 -11.813 -12.084 304 HD23 LEU 38 HD23 LEU 38 1.318 -10.521 -11.415 305 HA PRO 39 HA PRO 39 5.899 -11.008 -6.259 306 HB2 PRO 39 HB2 PRO 39 7.635 -10.332 -8.285 307 HB3 PRO 39 HB3 PRO 39 7.249 -12.020 -7.841 308 HG2 PRO 39 HG2 PRO 39 5.987 -10.337 -10.034 309 HG3 PRO 39 HG3 PRO 39 6.686 -11.986 -10.170 310 HD2 PRO 39 HD2 PRO 39 4.030 -11.629 -9.832 311 HD3 PRO 39 HD3 PRO 39 4.881 -12.952 -8.983 312 HA PRO 40 HA PRO 40 5.622 -6.563 -6.071 313 HB2 PRO 40 HB2 PRO 40 8.154 -5.740 -5.410 314 HB3 PRO 40 HB3 PRO 40 7.056 -6.599 -4.288 315 HG2 PRO 40 HG2 PRO 40 9.238 -7.799 -6.031 316 HG3 PRO 40 HG3 PRO 40 8.983 -8.036 -4.271 317 HD2 PRO 40 HD2 PRO 40 8.059 -9.829 -6.052 318 HD3 PRO 40 HD3 PRO 40 7.059 -9.379 -4.642 319 H ASP 41 H ASP 41 7.700 -8.037 -8.433 320 HA ASP 41 HA ASP 41 8.387 -5.682 -9.978 321 HB2 ASP 41 HB2 ASP 41 8.096 -8.600 -10.793 322 HB3 ASP 41 HB3 ASP 41 8.833 -7.335 -11.774 323 H THR 42 H THR 42 5.463 -7.664 -9.765 324 HA THR 42 HA THR 42 4.226 -6.191 -12.063 325 HB THR 42 HB THR 42 2.514 -8.010 -11.989 326 HG1 THR 42 HG1 THR 42 2.949 -8.744 -9.867 327 HG21 THR 42 HG21 THR 42 4.385 -8.090 -13.606 328 HG22 THR 42 HG22 THR 42 3.896 -9.709 -13.069 329 HG23 THR 42 HG23 THR 42 5.375 -8.972 -12.419 330 H THR 43 H THR 43 4.003 -6.606 -8.584 331 HA THR 43 HA THR 43 1.523 -4.921 -8.584 332 HB THR 43 HB THR 43 2.266 -7.033 -6.543 333 HG1 THR 43 HG1 THR 43 0.662 -8.243 -7.514 334 HG21 THR 43 HG21 THR 43 -0.345 -5.531 -7.059 335 HG22 THR 43 HG22 THR 43 0.774 -5.184 -5.726 336 HG23 THR 43 HG23 THR 43 -0.050 -6.748 -5.794 337 H ARG 44 H ARG 44 1.632 -3.030 -7.531 338 HA ARG 44 HA ARG 44 3.863 -2.474 -5.630 339 HB2 ARG 44 HB2 ARG 44 4.681 -0.614 -6.924 340 HB3 ARG 44 HB3 ARG 44 4.707 -2.067 -7.918 341 HG2 ARG 44 HG2 ARG 44 2.562 -1.323 -9.005 342 HG3 ARG 44 HG3 ARG 44 2.633 0.169 -8.044 343 HD2 ARG 44 HD2 ARG 44 4.901 0.626 -9.080 344 HD3 ARG 44 HD3 ARG 44 4.658 -0.783 -10.107 345 HE ARG 44 HE ARG 44 2.961 0.327 -11.313 346 HH11 ARG 44 HH11 ARG 44 4.235 2.488 -8.860 347 HH12 ARG 44 HH12 ARG 44 3.513 3.889 -9.599 348 HH21 ARG 44 HH21 ARG 44 2.066 2.175 -12.188 349 HH22 ARG 44 HH22 ARG 44 2.313 3.707 -11.411 350 H LEU 45 H LEU 45 3.794 -0.252 -4.756 351 HA LEU 45 HA LEU 45 1.025 0.698 -4.199 352 HB2 LEU 45 HB2 LEU 45 1.725 -1.032 -2.542 353 HB3 LEU 45 HB3 LEU 45 3.162 -0.080 -2.185 354 HG LEU 45 HG LEU 45 1.613 1.798 -1.390 355 HD11 LEU 45 HD11 LEU 45 -0.445 -0.453 -1.587 356 HD12 LEU 45 HD12 LEU 45 -0.489 1.086 -2.471 357 HD13 LEU 45 HD13 LEU 45 -0.678 1.073 -0.714 358 HD21 LEU 45 HD21 LEU 45 2.793 0.287 0.147 359 HD22 LEU 45 HD22 LEU 45 1.469 -0.892 0.008 360 HD23 LEU 45 HD23 LEU 45 1.184 0.693 0.767 361 H THR 46 H THR 46 0.826 2.868 -3.855 362 HA THR 46 HA THR 46 3.253 4.570 -3.529 363 HB THR 46 HB THR 46 2.425 6.175 -5.169 364 HG1 THR 46 HG1 THR 46 0.531 4.164 -5.783 365 HG21 THR 46 HG21 THR 46 2.982 5.022 -7.212 366 HG22 THR 46 HG22 THR 46 2.704 3.435 -6.466 367 HG23 THR 46 HG23 THR 46 4.054 4.457 -5.919 368 H TYR 47 H TYR 47 2.902 6.671 -2.795 369 HA TYR 47 HA TYR 47 0.413 7.388 -1.354 370 HB2 TYR 47 HB2 TYR 47 1.519 5.955 0.241 371 HB3 TYR 47 HB3 TYR 47 3.089 6.644 -0.138 372 HD1 TYR 47 HD1 TYR 47 -0.078 7.217 1.697 373 HD2 TYR 47 HD2 TYR 47 3.878 8.705 0.821 374 HE1 TYR 47 HE1 TYR 47 -0.215 8.764 3.638 375 HE2 TYR 47 HE2 TYR 47 3.713 10.279 2.752 376 HH TYR 47 HH TYR 47 0.658 10.577 4.637 377 H LYS 48 H LYS 48 0.177 9.555 -1.347 378 HA LYS 48 HA LYS 48 0.504 11.749 -1.908 379 HB2 LYS 48 HB2 LYS 48 1.609 11.080 0.427 380 HB3 LYS 48 HB3 LYS 48 3.066 11.696 -0.316 381 HG2 LYS 48 HG2 LYS 48 0.398 13.162 0.012 382 HG3 LYS 48 HG3 LYS 48 1.762 13.310 1.105 383 HD2 LYS 48 HD2 LYS 48 1.750 14.222 -1.801 384 HD3 LYS 48 HD3 LYS 48 1.529 15.249 -0.385 385 HE2 LYS 48 HE2 LYS 48 3.772 14.645 0.457 386 HE3 LYS 48 HE3 LYS 48 4.025 13.589 -0.940 387 HZ1 LYS 48 HZ1 LYS 48 5.040 15.770 -1.279 388 HZ2 LYS 48 HZ2 LYS 48 3.606 16.526 -1.097 389 HZ3 LYS 48 HZ3 LYS 48 3.856 15.537 -2.377 390 H GLY 49 H GLY 49 1.282 10.284 -4.062 391 HA2 GLY 49 HA2 GLY 49 2.151 10.726 -6.153 392 HA3 GLY 49 HA3 GLY 49 2.960 12.154 -5.516 393 H ARG 50 H ARG 50 3.872 9.352 -3.741 394 HA ARG 50 HA ARG 50 6.266 8.791 -5.456 395 HB2 ARG 50 HB2 ARG 50 6.277 9.361 -2.459 396 HB3 ARG 50 HB3 ARG 50 7.660 8.804 -3.404 397 HG2 ARG 50 HG2 ARG 50 7.494 10.872 -4.817 398 HG3 ARG 50 HG3 ARG 50 6.245 11.486 -3.724 399 HD2 ARG 50 HD2 ARG 50 9.083 10.724 -2.917 400 HD3 ARG 50 HD3 ARG 50 8.520 12.372 -3.244 401 HE ARG 50 HE ARG 50 6.800 11.303 -1.277 402 HH11 ARG 50 HH11 ARG 50 10.182 12.202 -1.473 403 HH12 ARG 50 HH12 ARG 50 10.285 12.548 0.232 404 HH21 ARG 50 HH21 ARG 50 7.011 11.753 0.902 405 HH22 ARG 50 HH22 ARG 50 8.536 12.305 1.527 406 H ALA 51 H ALA 51 7.387 6.828 -4.945 407 HA ALA 51 HA ALA 51 5.773 4.623 -3.793 408 HB1 ALA 51 HB1 ALA 51 7.708 3.236 -4.410 409 HB2 ALA 51 HB2 ALA 51 7.146 4.184 -5.799 410 HB3 ALA 51 HB3 ALA 51 8.609 4.681 -4.916 411 H LEU 52 H LEU 52 6.558 3.421 -1.938 412 HA LEU 52 HA LEU 52 8.350 4.942 -0.073 413 HB2 LEU 52 HB2 LEU 52 5.996 3.167 0.648 414 HB3 LEU 52 HB3 LEU 52 7.099 3.967 1.768 415 HG LEU 52 HG LEU 52 5.205 5.441 -0.102 416 HD11 LEU 52 HD11 LEU 52 5.064 4.793 2.875 417 HD12 LEU 52 HD12 LEU 52 3.983 4.195 1.600 418 HD13 LEU 52 HD13 LEU 52 3.979 5.914 2.031 419 HD21 LEU 52 HD21 LEU 52 7.154 6.821 0.460 420 HD22 LEU 52 HD22 LEU 52 6.998 6.390 2.178 421 HD23 LEU 52 HD23 LEU 52 5.758 7.380 1.385 422 H LYS 53 H LYS 53 10.069 3.902 0.720 423 HA LYS 53 HA LYS 53 10.297 0.969 0.726 424 HB2 LYS 53 HB2 LYS 53 10.931 2.016 -1.638 425 HB3 LYS 53 HB3 LYS 53 12.371 2.564 -0.813 426 HG2 LYS 53 HG2 LYS 53 13.253 0.602 -1.454 427 HG3 LYS 53 HG3 LYS 53 12.384 -0.115 -0.108 428 HD2 LYS 53 HD2 LYS 53 11.415 0.110 -2.995 429 HD3 LYS 53 HD3 LYS 53 12.079 -1.345 -2.272 430 HE2 LYS 53 HE2 LYS 53 9.555 0.027 -1.245 431 HE3 LYS 53 HE3 LYS 53 9.533 -1.193 -2.513 432 HZ1 LYS 53 HZ1 LYS 53 9.143 -2.168 -0.322 433 HZ2 LYS 53 HZ2 LYS 53 10.612 -1.687 0.212 434 HZ3 LYS 53 HZ3 LYS 53 10.504 -2.783 -0.989 435 H ASP 54 H ASP 54 11.799 0.228 2.178 436 HA ASP 54 HA ASP 54 13.106 0.181 4.001 437 HB2 ASP 54 HB2 ASP 54 14.648 0.616 2.057 438 HB3 ASP 54 HB3 ASP 54 14.731 2.301 2.562 439 H THR 55 H THR 55 10.873 1.892 4.448 440 HA THR 55 HA THR 55 11.743 4.353 5.741 441 HB THR 55 HB THR 55 9.388 4.770 6.095 442 HG1 THR 55 HG1 THR 55 8.456 2.936 6.663 443 HG21 THR 55 HG21 THR 55 9.709 3.396 3.388 444 HG22 THR 55 HG22 THR 55 10.228 5.056 3.756 445 HG23 THR 55 HG23 THR 55 8.511 4.606 3.822 446 H GLU 56 H GLU 56 10.871 1.178 6.855 447 HA GLU 56 HA GLU 56 10.795 0.079 8.778 448 HB2 GLU 56 HB2 GLU 56 13.119 0.923 8.754 449 HB3 GLU 56 HB3 GLU 56 12.673 2.180 9.890 450 HG2 GLU 56 HG2 GLU 56 12.087 -0.745 10.512 451 HG3 GLU 56 HG3 GLU 56 13.737 -0.164 10.610 452 H THR 57 H THR 57 9.718 3.383 9.137 453 HA THR 57 HA THR 57 7.478 2.427 10.812 454 HB THR 57 HB THR 57 7.581 4.378 12.306 455 HG1 THR 57 HG1 THR 57 10.175 4.765 11.272 456 HG21 THR 57 HG21 THR 57 9.336 3.751 13.820 457 HG22 THR 57 HG22 THR 57 10.179 2.837 12.554 458 HG23 THR 57 HG23 THR 57 8.595 2.287 13.145 459 H LEU 58 H LEU 58 5.637 3.927 10.799 460 HA LEU 58 HA LEU 58 5.492 5.743 8.476 461 HB2 LEU 58 HB2 LEU 58 3.527 5.325 10.758 462 HB3 LEU 58 HB3 LEU 58 3.256 6.215 9.263 463 HG LEU 58 HG LEU 58 3.652 3.207 9.494 464 HD11 LEU 58 HD11 LEU 58 1.239 4.899 8.701 465 HD12 LEU 58 HD12 LEU 58 1.450 4.056 10.252 466 HD13 LEU 58 HD13 LEU 58 1.303 3.129 8.755 467 HD21 LEU 58 HD21 LEU 58 3.146 4.951 7.036 468 HD22 LEU 58 HD22 LEU 58 3.042 3.177 7.070 469 HD23 LEU 58 HD23 LEU 58 4.595 3.965 7.354 470 H GLU 59 H GLU 59 6.408 6.000 11.834 471 HA GLU 59 HA GLU 59 5.957 8.799 12.251 472 HB2 GLU 59 HB2 GLU 59 8.082 6.953 13.426 473 HB3 GLU 59 HB3 GLU 59 7.676 8.574 14.013 474 HG2 GLU 59 HG2 GLU 59 5.293 7.756 14.347 475 HG3 GLU 59 HG3 GLU 59 5.879 6.118 14.039 476 H SER 60 H SER 60 8.707 7.049 10.778 477 HA SER 60 HA SER 60 10.360 9.385 10.356 478 HB2 SER 60 HB2 SER 60 10.327 6.671 8.980 479 HB3 SER 60 HB3 SER 60 11.567 7.916 8.740 480 HG SER 60 HG SER 60 10.889 6.634 11.195 481 H LEU 61 H LEU 61 7.534 8.263 8.671 482 HA LEU 61 HA LEU 61 8.072 9.924 6.262 483 HB2 LEU 61 HB2 LEU 61 5.709 8.167 7.044 484 HB3 LEU 61 HB3 LEU 61 5.868 9.029 5.521 485 HG LEU 61 HG LEU 61 7.748 6.815 6.462 486 HD11 LEU 61 HD11 LEU 61 5.546 6.820 4.358 487 HD12 LEU 61 HD12 LEU 61 5.455 6.038 5.950 488 HD13 LEU 61 HD13 LEU 61 6.623 5.461 4.759 489 HD21 LEU 61 HD21 LEU 61 7.540 8.343 3.825 490 HD22 LEU 61 HD22 LEU 61 8.523 6.889 4.076 491 HD23 LEU 61 HD23 LEU 61 8.914 8.360 4.957 492 H GLY 62 H GLY 62 6.330 10.131 9.301 493 HA2 GLY 62 HA2 GLY 62 5.143 11.877 10.244 494 HA3 GLY 62 HA3 GLY 62 5.591 12.913 8.884 495 H VAL 63 H VAL 63 3.797 9.814 8.871 496 HA VAL 63 HA VAL 63 1.816 10.584 7.009 497 HB VAL 63 HB VAL 63 2.499 8.249 7.708 498 HG11 VAL 63 HG11 VAL 63 2.221 8.459 10.161 499 HG12 VAL 63 HG12 VAL 63 0.469 8.670 9.951 500 HG13 VAL 63 HG13 VAL 63 1.223 7.147 9.505 501 HG21 VAL 63 HG21 VAL 63 0.369 7.222 7.217 502 HG22 VAL 63 HG22 VAL 63 -0.506 8.710 7.613 503 HG23 VAL 63 HG23 VAL 63 0.581 8.655 6.208 504 H ALA 64 H ALA 64 -0.417 11.114 7.178 505 HA ALA 64 HA ALA 64 -1.283 12.240 9.813 506 HB1 ALA 64 HB1 ALA 64 -2.640 13.836 8.554 507 HB2 ALA 64 HB2 ALA 64 -0.920 13.998 8.149 508 HB3 ALA 64 HB3 ALA 64 -2.026 13.180 7.026 509 H ASP 65 H ASP 65 -3.425 11.979 10.445 510 HA ASP 65 HA ASP 65 -4.609 9.428 9.893 511 HB2 ASP 65 HB2 ASP 65 -4.753 10.707 12.036 512 HB3 ASP 65 HB3 ASP 65 -5.809 11.881 11.247 513 H GLY 66 H GLY 66 -6.061 8.798 8.392 514 HA2 GLY 66 HA2 GLY 66 -7.788 8.912 6.852 515 HA3 GLY 66 HA3 GLY 66 -7.820 10.671 6.956 516 H ASP 67 H ASP 67 -4.608 9.553 6.345 517 HA ASP 67 HA ASP 67 -4.538 10.592 3.668 518 HB2 ASP 67 HB2 ASP 67 -2.639 8.841 5.262 519 HB3 ASP 67 HB3 ASP 67 -2.338 9.266 3.580 520 H LYS 68 H LYS 68 -4.161 9.585 1.680 521 HA LYS 68 HA LYS 68 -5.397 6.900 1.399 522 HB2 LYS 68 HB2 LYS 68 -6.005 7.458 -0.853 523 HB3 LYS 68 HB3 LYS 68 -6.656 8.631 0.289 524 HG2 LYS 68 HG2 LYS 68 -4.999 10.296 -0.369 525 HG3 LYS 68 HG3 LYS 68 -4.115 9.110 -1.336 526 HD2 LYS 68 HD2 LYS 68 -5.398 10.562 -2.786 527 HD3 LYS 68 HD3 LYS 68 -6.000 8.903 -2.895 528 HE2 LYS 68 HE2 LYS 68 -7.878 9.481 -1.374 529 HE3 LYS 68 HE3 LYS 68 -7.254 11.130 -1.222 530 HZ1 LYS 68 HZ1 LYS 68 -7.616 11.414 -3.617 531 HZ2 LYS 68 HZ2 LYS 68 -9.017 10.997 -2.894 532 HZ3 LYS 68 HZ3 LYS 68 -8.187 9.890 -3.760 533 H PHE 69 H PHE 69 -4.700 5.435 -0.097 534 HA PHE 69 HA PHE 69 -1.858 5.516 -1.016 535 HB2 PHE 69 HB2 PHE 69 -3.227 3.301 0.574 536 HB3 PHE 69 HB3 PHE 69 -1.722 3.106 -0.301 537 HD1 PHE 69 HD1 PHE 69 -3.283 5.051 2.518 538 HD2 PHE 69 HD2 PHE 69 0.354 3.602 0.702 539 HE1 PHE 69 HE1 PHE 69 -1.985 5.837 4.479 540 HE2 PHE 69 HE2 PHE 69 1.634 4.329 2.703 541 HZ PHE 69 HZ PHE 69 0.469 5.454 4.589 542 H VAL 70 H VAL 70 -1.523 4.424 -2.980 543 HA VAL 70 HA VAL 70 -3.955 3.225 -4.284 544 HB VAL 70 HB VAL 70 -1.847 4.896 -5.672 545 HG11 VAL 70 HG11 VAL 70 -3.387 4.753 -7.603 546 HG12 VAL 70 HG12 VAL 70 -2.812 3.153 -7.137 547 HG13 VAL 70 HG13 VAL 70 -4.451 3.668 -6.683 548 HG21 VAL 70 HG21 VAL 70 -3.686 6.526 -6.028 549 HG22 VAL 70 HG22 VAL 70 -4.736 5.566 -4.964 550 HG23 VAL 70 HG23 VAL 70 -3.281 6.356 -4.320 551 H LEU 71 H LEU 71 -3.768 1.252 -5.007 552 HA LEU 71 HA LEU 71 -1.083 -0.067 -5.060 553 HB2 LEU 71 HB2 LEU 71 -2.586 -0.679 -3.205 554 HB3 LEU 71 HB3 LEU 71 -3.810 -1.188 -4.343 555 HG LEU 71 HG LEU 71 -1.092 -2.496 -3.909 556 HD11 LEU 71 HD11 LEU 71 -3.950 -3.321 -3.219 557 HD12 LEU 71 HD12 LEU 71 -2.691 -2.806 -2.073 558 HD13 LEU 71 HD13 LEU 71 -2.512 -4.320 -2.965 559 HD21 LEU 71 HD21 LEU 71 -1.642 -3.041 -6.186 560 HD22 LEU 71 HD22 LEU 71 -3.366 -3.284 -5.786 561 HD23 LEU 71 HD23 LEU 71 -2.120 -4.421 -5.225 562 H ILE 72 H ILE 72 -0.433 -0.774 -6.971 563 HA ILE 72 HA ILE 72 -2.360 -0.934 -9.258 564 HB ILE 72 HB ILE 72 0.556 -0.090 -9.336 565 HG12 ILE 72 HG12 ILE 72 -0.807 2.082 -10.263 566 HG13 ILE 72 HG13 ILE 72 -1.993 1.495 -9.109 567 HG21 ILE 72 HG21 ILE 72 -0.080 -1.196 -11.415 568 HG22 ILE 72 HG22 ILE 72 -1.556 -0.202 -11.526 569 HG23 ILE 72 HG23 ILE 72 0.049 0.535 -11.689 570 HD11 ILE 72 HD11 ILE 72 -0.239 1.636 -7.308 571 HD12 ILE 72 HD12 ILE 72 0.934 2.180 -8.523 572 HD13 ILE 72 HD13 ILE 72 -0.471 3.186 -8.133 573 H THR 73 H THR 73 -2.184 -2.651 -10.688 574 HA THR 73 HA THR 73 -0.255 -4.829 -10.093 575 HB THR 73 HB THR 73 -2.203 -5.355 -8.762 576 HG1 THR 73 HG1 THR 73 -2.506 -7.390 -9.586 577 HG21 THR 73 HG21 THR 73 -4.006 -4.220 -10.022 578 HG22 THR 73 HG22 THR 73 -4.367 -5.935 -9.791 579 HG23 THR 73 HG23 THR 73 -3.795 -5.361 -11.369 580 H ARG 74 H ARG 74 0.130 -6.271 -11.744 581 HA ARG 74 HA ARG 74 -0.693 -5.490 -14.529 582 HB2 ARG 74 HB2 ARG 74 2.076 -6.261 -13.514 583 HB3 ARG 74 HB3 ARG 74 1.659 -6.014 -15.200 584 HG2 ARG 74 HG2 ARG 74 1.449 -3.830 -13.072 585 HG3 ARG 74 HG3 ARG 74 2.869 -4.117 -14.071 586 HD2 ARG 74 HD2 ARG 74 1.526 -3.716 -16.128 587 HD3 ARG 74 HD3 ARG 74 0.091 -3.456 -15.137 588 HE ARG 74 HE ARG 74 0.766 -1.317 -14.695 589 HH11 ARG 74 HH11 ARG 74 3.654 -2.965 -15.841 590 HH12 ARG 74 HH12 ARG 74 4.570 -1.485 -15.902 591 HH21 ARG 74 HH21 ARG 74 1.975 0.525 -14.904 592 HH22 ARG 74 HH22 ARG 74 3.645 0.425 -15.377 593 H THR 75 H THR 75 -2.002 -7.098 -15.124 594 HA THR 75 HA THR 75 -1.611 -9.876 -14.344 595 HB THR 75 HB THR 75 -3.535 -8.756 -16.412 596 HG1 THR 75 HG1 THR 75 -3.895 -9.185 -13.629 597 HG21 THR 75 HG21 THR 75 -3.602 -11.291 -14.702 598 HG22 THR 75 HG22 THR 75 -3.391 -11.221 -16.465 599 HG23 THR 75 HG23 THR 75 -4.922 -10.713 -15.745 600 H VAL 76 H VAL 76 0.610 -10.021 -15.147 601 HA VAL 76 HA VAL 76 1.210 -9.978 -17.963 602 HB VAL 76 HB VAL 76 3.356 -10.991 -17.340 603 HG11 VAL 76 HG11 VAL 76 4.187 -9.155 -15.998 604 HG12 VAL 76 HG12 VAL 76 2.996 -8.552 -17.161 605 HG13 VAL 76 HG13 VAL 76 2.549 -8.746 -15.452 606 HG21 VAL 76 HG21 VAL 76 3.949 -11.425 -15.010 607 HG22 VAL 76 HG22 VAL 76 2.288 -11.092 -14.483 608 HG23 VAL 76 HG23 VAL 76 2.640 -12.500 -15.510 609 H GLY 77 H GLY 77 -0.262 -12.457 -16.080 610 HA2 GLY 77 HA2 GLY 77 -1.134 -14.523 -16.662 611 HA3 GLY 77 HA3 GLY 77 -0.739 -14.175 -18.343 Start of MODEL 3 1 HA MET 1 HA MET 1 -5.133 5.950 13.033 2 HB2 MET 1 HB2 MET 1 -7.458 7.904 12.673 3 HB3 MET 1 HB3 MET 1 -7.438 6.449 13.660 4 HG2 MET 1 HG2 MET 1 -7.098 8.187 15.169 5 HG3 MET 1 HG3 MET 1 -5.515 7.458 14.968 6 HE1 MET 1 HE1 MET 1 -5.983 10.236 16.408 7 HE2 MET 1 HE2 MET 1 -4.363 9.541 16.153 8 HE3 MET 1 HE3 MET 1 -4.688 11.230 15.704 9 H LYS 2 H LYS 2 -7.208 7.350 10.418 10 HA LYS 2 HA LYS 2 -7.530 4.597 9.302 11 HB2 LYS 2 HB2 LYS 2 -9.269 7.069 9.045 12 HB3 LYS 2 HB3 LYS 2 -9.466 5.611 8.056 13 HG2 LYS 2 HG2 LYS 2 -9.808 4.234 10.069 14 HG3 LYS 2 HG3 LYS 2 -9.663 5.657 11.103 15 HD2 LYS 2 HD2 LYS 2 -11.772 5.262 8.944 16 HD3 LYS 2 HD3 LYS 2 -12.024 4.954 10.665 17 HE2 LYS 2 HE2 LYS 2 -11.681 7.285 11.231 18 HE3 LYS 2 HE3 LYS 2 -11.183 7.673 9.581 19 HZ1 LYS 2 HZ1 LYS 2 -13.890 6.735 10.326 20 HZ2 LYS 2 HZ2 LYS 2 -13.387 7.098 8.804 21 HZ3 LYS 2 HZ3 LYS 2 -13.498 8.272 9.947 22 H ILE 3 H ILE 3 -7.330 4.248 7.130 23 HA ILE 3 HA ILE 3 -6.171 6.356 5.398 24 HB ILE 3 HB ILE 3 -4.546 4.838 4.425 25 HG12 ILE 3 HG12 ILE 3 -3.922 2.769 5.975 26 HG13 ILE 3 HG13 ILE 3 -5.633 2.783 6.364 27 HG21 ILE 3 HG21 ILE 3 -4.158 4.977 7.431 28 HG22 ILE 3 HG22 ILE 3 -2.900 4.904 6.182 29 HG23 ILE 3 HG23 ILE 3 -3.939 6.336 6.314 30 HD11 ILE 3 HD11 ILE 3 -5.033 1.215 4.533 31 HD12 ILE 3 HD12 ILE 3 -6.166 2.439 3.956 32 HD13 ILE 3 HD13 ILE 3 -4.438 2.570 3.555 33 H LYS 4 H LYS 4 -6.549 6.021 3.167 34 HA LYS 4 HA LYS 4 -8.582 3.925 2.480 35 HB2 LYS 4 HB2 LYS 4 -7.991 6.620 1.273 36 HB3 LYS 4 HB3 LYS 4 -8.558 5.311 0.233 37 HG2 LYS 4 HG2 LYS 4 -10.549 4.991 1.644 38 HG3 LYS 4 HG3 LYS 4 -10.029 6.313 2.707 39 HD2 LYS 4 HD2 LYS 4 -10.223 7.929 0.872 40 HD3 LYS 4 HD3 LYS 4 -10.481 6.631 -0.290 41 HE2 LYS 4 HE2 LYS 4 -12.612 7.540 0.055 42 HE3 LYS 4 HE3 LYS 4 -12.605 6.010 0.933 43 HZ1 LYS 4 HZ1 LYS 4 -12.311 7.269 3.015 44 HZ2 LYS 4 HZ2 LYS 4 -13.595 7.849 2.211 45 HZ3 LYS 4 HZ3 LYS 4 -12.195 8.680 2.186 46 H ILE 5 H ILE 5 -8.160 2.459 0.960 47 HA ILE 5 HA ILE 5 -5.603 2.655 -0.529 48 HB ILE 5 HB ILE 5 -5.277 0.962 1.153 49 HG12 ILE 5 HG12 ILE 5 -5.560 -0.456 -1.523 50 HG13 ILE 5 HG13 ILE 5 -4.390 0.843 -1.279 51 HG21 ILE 5 HG21 ILE 5 -7.602 -0.572 -0.106 52 HG22 ILE 5 HG22 ILE 5 -6.529 -1.158 1.179 53 HG23 ILE 5 HG23 ILE 5 -7.616 0.196 1.494 54 HD11 ILE 5 HD11 ILE 5 -3.314 -0.397 0.551 55 HD12 ILE 5 HD12 ILE 5 -4.459 -1.742 0.321 56 HD13 ILE 5 HD13 ILE 5 -3.319 -1.318 -0.966 57 H VAL 6 H VAL 6 -5.751 2.457 -2.646 58 HA VAL 6 HA VAL 6 -8.431 1.888 -3.864 59 HB VAL 6 HB VAL 6 -6.407 3.869 -4.938 60 HG11 VAL 6 HG11 VAL 6 -9.408 3.510 -5.370 61 HG12 VAL 6 HG12 VAL 6 -8.368 4.719 -6.149 62 HG13 VAL 6 HG13 VAL 6 -8.139 3.005 -6.506 63 HG21 VAL 6 HG21 VAL 6 -6.960 4.790 -2.796 64 HG22 VAL 6 HG22 VAL 6 -7.918 5.647 -4.004 65 HG23 VAL 6 HG23 VAL 6 -8.675 4.391 -2.996 66 HA PRO 7 HA PRO 7 -5.382 -0.973 -5.728 67 HB2 PRO 7 HB2 PRO 7 -6.597 -3.359 -5.339 68 HB3 PRO 7 HB3 PRO 7 -5.789 -2.489 -4.004 69 HG2 PRO 7 HG2 PRO 7 -8.750 -2.504 -4.689 70 HG3 PRO 7 HG3 PRO 7 -7.981 -2.784 -3.095 71 HD2 PRO 7 HD2 PRO 7 -8.950 -0.333 -3.879 72 HD3 PRO 7 HD3 PRO 7 -7.540 -0.517 -2.798 73 H ALA 8 H ALA 8 -5.237 -1.459 -7.826 74 HA ALA 8 HA ALA 8 -7.424 -0.938 -9.624 75 HB1 ALA 8 HB1 ALA 8 -4.602 -1.955 -10.144 76 HB2 ALA 8 HB2 ALA 8 -5.703 -1.237 -11.342 77 HB3 ALA 8 HB3 ALA 8 -5.084 -0.248 -10.009 78 H VAL 9 H VAL 9 -8.174 -3.164 -8.042 79 HA VAL 9 HA VAL 9 -8.604 -5.314 -10.034 80 HB VAL 9 HB VAL 9 -8.054 -7.064 -8.328 81 HG11 VAL 9 HG11 VAL 9 -5.678 -7.125 -8.738 82 HG12 VAL 9 HG12 VAL 9 -6.512 -6.551 -10.193 83 HG13 VAL 9 HG13 VAL 9 -5.652 -5.399 -9.145 84 HG21 VAL 9 HG21 VAL 9 -8.014 -5.576 -6.296 85 HG22 VAL 9 HG22 VAL 9 -6.576 -6.593 -6.485 86 HG23 VAL 9 HG23 VAL 9 -6.491 -4.882 -6.911 87 H GLY 10 H GLY 10 -10.269 -6.856 -9.382 88 HA2 GLY 10 HA2 GLY 10 -12.360 -7.403 -8.571 89 HA3 GLY 10 HA3 GLY 10 -11.914 -6.582 -7.075 90 H GLY 11 H GLY 11 -13.251 -4.961 -6.541 91 HA2 GLY 11 HA2 GLY 11 -15.182 -3.741 -8.311 92 HA3 GLY 11 HA3 GLY 11 -14.786 -3.251 -6.662 93 H GLY 12 H GLY 12 -11.817 -2.975 -7.699 94 HA2 GLY 12 HA2 GLY 12 -10.444 -1.336 -8.511 95 HA3 GLY 12 HA3 GLY 12 -11.733 -0.866 -9.620 96 H SER 13 H SER 13 -12.623 -0.695 -6.308 97 HA SER 13 HA SER 13 -12.785 2.257 -6.469 98 HB2 SER 13 HB2 SER 13 -14.705 1.923 -4.913 99 HB3 SER 13 HB3 SER 13 -14.887 1.054 -6.445 100 HG SER 13 HG SER 13 -15.425 -0.230 -4.604 101 HA PRO 14 HA PRO 14 -10.411 2.824 -2.684 102 HB2 PRO 14 HB2 PRO 14 -11.800 4.812 -1.375 103 HB3 PRO 14 HB3 PRO 14 -10.775 5.112 -2.809 104 HG2 PRO 14 HG2 PRO 14 -13.776 4.706 -2.734 105 HG3 PRO 14 HG3 PRO 14 -12.845 5.988 -3.574 106 HD2 PRO 14 HD2 PRO 14 -13.697 3.808 -4.907 107 HD3 PRO 14 HD3 PRO 14 -12.073 4.475 -5.228 108 H LEU 15 H LEU 15 -10.351 1.745 -0.795 109 HA LEU 15 HA LEU 15 -12.860 1.306 0.776 110 HB2 LEU 15 HB2 LEU 15 -10.545 -0.646 0.459 111 HB3 LEU 15 HB3 LEU 15 -11.826 -0.775 1.650 112 HG LEU 15 HG LEU 15 -13.231 -0.491 -0.789 113 HD11 LEU 15 HD11 LEU 15 -11.103 -0.966 -2.006 114 HD12 LEU 15 HD12 LEU 15 -12.326 -2.226 -2.242 115 HD13 LEU 15 HD13 LEU 15 -10.966 -2.505 -1.129 116 HD21 LEU 15 HD21 LEU 15 -12.539 -3.032 0.732 117 HD22 LEU 15 HD22 LEU 15 -13.873 -2.826 -0.426 118 HD23 LEU 15 HD23 LEU 15 -13.880 -1.922 1.096 119 H GLU 16 H GLU 16 -12.758 1.827 2.892 120 HA GLU 16 HA GLU 16 -10.293 3.185 3.850 121 HB2 GLU 16 HB2 GLU 16 -12.353 4.487 3.652 122 HB3 GLU 16 HB3 GLU 16 -13.164 3.426 4.806 123 HG2 GLU 16 HG2 GLU 16 -11.786 4.153 6.621 124 HG3 GLU 16 HG3 GLU 16 -10.608 4.892 5.536 125 H LEU 17 H LEU 17 -9.198 2.564 5.613 126 HA LEU 17 HA LEU 17 -10.146 0.335 7.340 127 HB2 LEU 17 HB2 LEU 17 -7.809 0.375 5.425 128 HB3 LEU 17 HB3 LEU 17 -7.603 -0.466 6.949 129 HG LEU 17 HG LEU 17 -9.921 -1.103 5.082 130 HD11 LEU 17 HD11 LEU 17 -7.825 -1.487 3.870 131 HD12 LEU 17 HD12 LEU 17 -8.574 -3.027 4.323 132 HD13 LEU 17 HD13 LEU 17 -7.178 -2.418 5.241 133 HD21 LEU 17 HD21 LEU 17 -9.905 -3.247 6.334 134 HD22 LEU 17 HD22 LEU 17 -10.169 -1.886 7.430 135 HD23 LEU 17 HD23 LEU 17 -8.569 -2.654 7.344 136 H GLU 18 H GLU 18 -9.212 0.210 9.340 137 HA GLU 18 HA GLU 18 -7.671 2.518 10.371 138 HB2 GLU 18 HB2 GLU 18 -9.555 1.573 11.646 139 HB3 GLU 18 HB3 GLU 18 -8.732 0.009 11.723 140 HG2 GLU 18 HG2 GLU 18 -6.885 1.027 13.014 141 HG3 GLU 18 HG3 GLU 18 -7.670 2.608 12.910 142 H VAL 19 H VAL 19 -5.503 2.381 11.077 143 HA VAL 19 HA VAL 19 -4.047 -0.174 10.740 144 HB VAL 19 HB VAL 19 -4.034 0.927 8.524 145 HG11 VAL 19 HG11 VAL 19 -2.682 2.911 8.109 146 HG12 VAL 19 HG12 VAL 19 -3.994 3.302 9.234 147 HG13 VAL 19 HG13 VAL 19 -2.333 3.091 9.835 148 HG21 VAL 19 HG21 VAL 19 -1.690 0.638 8.059 149 HG22 VAL 19 HG22 VAL 19 -1.261 0.830 9.765 150 HG23 VAL 19 HG23 VAL 19 -2.194 -0.589 9.228 151 H ALA 20 H ALA 20 -2.152 -0.387 11.877 152 HA ALA 20 HA ALA 20 -1.884 1.220 14.254 153 HB1 ALA 20 HB1 ALA 20 -1.524 -1.220 14.218 154 HB2 ALA 20 HB2 ALA 20 -0.141 -1.014 13.116 155 HB3 ALA 20 HB3 ALA 20 -0.066 -0.381 14.774 156 HA PRO 21 HA PRO 21 1.192 4.157 12.808 157 HB2 PRO 21 HB2 PRO 21 2.509 4.808 15.121 158 HB3 PRO 21 HB3 PRO 21 0.824 5.305 14.782 159 HG2 PRO 21 HG2 PRO 21 1.762 2.912 16.403 160 HG3 PRO 21 HG3 PRO 21 0.558 4.158 16.868 161 HD2 PRO 21 HD2 PRO 21 -0.207 1.774 15.831 162 HD3 PRO 21 HD3 PRO 21 -1.063 3.280 15.384 163 H ASN 22 H ASN 22 2.165 1.228 14.482 164 HA ASN 22 HA ASN 22 4.983 1.393 13.753 165 HB2 ASN 22 HB2 ASN 22 3.998 0.356 15.873 166 HB3 ASN 22 HB3 ASN 22 3.425 -0.974 14.865 167 HD21 ASN 22 HD21 ASN 22 4.814 -2.720 15.077 168 HD22 ASN 22 HD22 ASN 22 6.555 -2.575 15.251 169 H ALA 23 H ALA 23 2.463 0.935 11.703 170 HA ALA 23 HA ALA 23 3.019 -1.462 10.305 171 HB1 ALA 23 HB1 ALA 23 1.829 -0.352 8.431 172 HB2 ALA 23 HB2 ALA 23 0.981 -0.154 9.977 173 HB3 ALA 23 HB3 ALA 23 1.921 1.197 9.297 174 H THR 24 H THR 24 4.340 -2.012 8.611 175 HA THR 24 HA THR 24 6.579 -0.139 7.967 176 HB THR 24 HB THR 24 8.164 -1.796 8.047 177 HG1 THR 24 HG1 THR 24 6.294 -3.836 8.488 178 HG21 THR 24 HG21 THR 24 8.114 -2.837 10.214 179 HG22 THR 24 HG22 THR 24 6.347 -2.704 10.322 180 HG23 THR 24 HG23 THR 24 7.351 -1.246 10.374 181 H VAL 25 H VAL 25 7.477 -0.156 5.932 182 HA VAL 25 HA VAL 25 5.788 -0.684 3.693 183 HB VAL 25 HB VAL 25 7.904 -0.352 2.347 184 HG11 VAL 25 HG11 VAL 25 8.110 2.040 3.006 185 HG12 VAL 25 HG12 VAL 25 6.433 1.490 2.838 186 HG13 VAL 25 HG13 VAL 25 7.141 1.706 4.452 187 HG21 VAL 25 HG21 VAL 25 9.607 -1.153 3.965 188 HG22 VAL 25 HG22 VAL 25 9.889 0.517 3.488 189 HG23 VAL 25 HG23 VAL 25 9.194 0.185 5.069 190 H GLY 26 H GLY 26 8.298 -2.708 5.192 191 HA2 GLY 26 HA2 GLY 26 8.430 -4.727 3.152 192 HA3 GLY 26 HA3 GLY 26 8.896 -4.907 4.850 193 H ALA 27 H ALA 27 6.482 -4.486 6.181 194 HA ALA 27 HA ALA 27 5.107 -6.974 5.859 195 HB1 ALA 27 HB1 ALA 27 3.544 -6.039 7.529 196 HB2 ALA 27 HB2 ALA 27 5.232 -5.774 7.998 197 HB3 ALA 27 HB3 ALA 27 4.268 -4.431 7.326 198 H VAL 28 H VAL 28 4.109 -3.627 4.904 199 HA VAL 28 HA VAL 28 1.591 -4.420 3.792 200 HB VAL 28 HB VAL 28 3.323 -1.996 3.192 201 HG11 VAL 28 HG11 VAL 28 0.407 -2.531 2.460 202 HG12 VAL 28 HG12 VAL 28 1.235 -0.966 2.316 203 HG13 VAL 28 HG13 VAL 28 1.755 -2.329 1.322 204 HG21 VAL 28 HG21 VAL 28 0.821 -2.324 4.919 205 HG22 VAL 28 HG22 VAL 28 2.469 -2.161 5.547 206 HG23 VAL 28 HG23 VAL 28 1.735 -0.822 4.661 207 H ARG 29 H ARG 29 4.757 -3.925 2.120 208 HA ARG 29 HA ARG 29 3.879 -4.686 -0.494 209 HB2 ARG 29 HB2 ARG 29 6.039 -3.553 0.055 210 HB3 ARG 29 HB3 ARG 29 6.601 -5.021 0.838 211 HG2 ARG 29 HG2 ARG 29 5.930 -5.967 -1.712 212 HG3 ARG 29 HG3 ARG 29 6.402 -4.311 -2.054 213 HD2 ARG 29 HD2 ARG 29 8.319 -5.739 -2.290 214 HD3 ARG 29 HD3 ARG 29 8.571 -4.728 -0.856 215 HE ARG 29 HE ARG 29 7.389 -7.066 0.118 216 HH11 ARG 29 HH11 ARG 29 10.343 -6.455 -1.655 217 HH12 ARG 29 HH12 ARG 29 11.139 -7.843 -0.966 218 HH21 ARG 29 HH21 ARG 29 8.474 -8.745 1.030 219 HH22 ARG 29 HH22 ARG 29 10.094 -9.118 0.497 220 H THR 30 H THR 30 5.289 -6.727 2.118 221 HA THR 30 HA THR 30 5.232 -9.121 0.509 222 HB THR 30 HB THR 30 5.394 -8.835 3.526 223 HG1 THR 30 HG1 THR 30 7.110 -7.884 2.778 224 HG21 THR 30 HG21 THR 30 6.581 -11.024 3.395 225 HG22 THR 30 HG22 THR 30 6.117 -11.156 1.683 226 HG23 THR 30 HG23 THR 30 4.873 -11.160 2.957 227 H LYS 31 H LYS 31 2.860 -7.765 2.832 228 HA LYS 31 HA LYS 31 1.027 -9.982 2.662 229 HB2 LYS 31 HB2 LYS 31 1.124 -8.268 4.457 230 HB3 LYS 31 HB3 LYS 31 0.445 -7.069 3.351 231 HG2 LYS 31 HG2 LYS 31 -1.637 -8.238 3.198 232 HG3 LYS 31 HG3 LYS 31 -0.970 -9.715 3.902 233 HD2 LYS 31 HD2 LYS 31 -1.259 -7.091 5.430 234 HD3 LYS 31 HD3 LYS 31 -2.456 -8.399 5.443 235 HE2 LYS 31 HE2 LYS 31 -0.723 -9.974 6.305 236 HE3 LYS 31 HE3 LYS 31 0.448 -8.654 6.356 237 HZ1 LYS 31 HZ1 LYS 31 -2.069 -8.752 7.927 238 HZ2 LYS 31 HZ2 LYS 31 -0.988 -7.525 7.969 239 HZ3 LYS 31 HZ3 LYS 31 -0.572 -9.004 8.521 240 H VAL 32 H VAL 32 1.277 -6.967 0.733 241 HA VAL 32 HA VAL 32 -0.872 -7.490 -1.087 242 HB VAL 32 HB VAL 32 1.744 -5.997 -1.283 243 HG11 VAL 32 HG11 VAL 32 -0.193 -6.274 -3.607 244 HG12 VAL 32 HG12 VAL 32 1.211 -5.177 -3.491 245 HG13 VAL 32 HG13 VAL 32 1.474 -6.897 -3.567 246 HG21 VAL 32 HG21 VAL 32 -0.207 -5.020 -0.081 247 HG22 VAL 32 HG22 VAL 32 0.299 -4.072 -1.484 248 HG23 VAL 32 HG23 VAL 32 -1.145 -5.107 -1.587 249 H CYS 33 H CYS 33 2.588 -8.510 -1.349 250 HA CYS 33 HA CYS 33 2.228 -10.001 -3.735 251 HB2 CYS 33 HB2 CYS 33 4.281 -10.349 -1.506 252 HB3 CYS 33 HB3 CYS 33 4.376 -11.075 -3.121 253 HG CYS 33 HG CYS 33 4.298 -7.873 -2.253 254 H ALA 34 H ALA 34 1.881 -11.086 -0.337 255 HA ALA 34 HA ALA 34 1.339 -13.830 -0.921 256 HB1 ALA 34 HB1 ALA 34 0.451 -12.090 1.423 257 HB2 ALA 34 HB2 ALA 34 0.455 -13.865 1.380 258 HB3 ALA 34 HB3 ALA 34 1.989 -12.974 1.300 259 H MET 35 H MET 35 -0.924 -11.035 -0.526 260 HA MET 35 HA MET 35 -3.317 -12.579 -0.937 261 HB2 MET 35 HB2 MET 35 -2.713 -9.605 -1.158 262 HB3 MET 35 HB3 MET 35 -4.326 -10.290 -1.401 263 HG2 MET 35 HG2 MET 35 -4.321 -11.242 0.855 264 HG3 MET 35 HG3 MET 35 -2.684 -10.660 1.127 265 HE1 MET 35 HE1 MET 35 -6.467 -9.809 0.896 266 HE2 MET 35 HE2 MET 35 -6.507 -8.036 0.980 267 HE3 MET 35 HE3 MET 35 -5.912 -8.837 -0.487 268 H LYS 36 H LYS 36 -1.290 -10.727 -3.255 269 HA LYS 36 HA LYS 36 -3.019 -11.447 -5.546 270 HB2 LYS 36 HB2 LYS 36 -0.251 -10.184 -5.489 271 HB3 LYS 36 HB3 LYS 36 -1.311 -10.303 -6.884 272 HG2 LYS 36 HG2 LYS 36 -1.714 -8.551 -4.434 273 HG3 LYS 36 HG3 LYS 36 -1.348 -8.080 -6.079 274 HD2 LYS 36 HD2 LYS 36 -3.574 -7.541 -5.907 275 HD3 LYS 36 HD3 LYS 36 -3.653 -9.115 -6.709 276 HE2 LYS 36 HE2 LYS 36 -4.158 -10.192 -4.526 277 HE3 LYS 36 HE3 LYS 36 -3.951 -8.646 -3.696 278 HZ1 LYS 36 HZ1 LYS 36 -6.298 -9.201 -4.121 279 HZ2 LYS 36 HZ2 LYS 36 -6.047 -9.200 -5.732 280 HZ3 LYS 36 HZ3 LYS 36 -5.888 -7.812 -4.867 281 H LYS 37 H LYS 37 -0.617 -13.113 -3.868 282 HA LYS 37 HA LYS 37 0.641 -14.943 -4.183 283 HB2 LYS 37 HB2 LYS 37 -1.772 -15.724 -4.963 284 HB3 LYS 37 HB3 LYS 37 -1.030 -15.784 -6.550 285 HG2 LYS 37 HG2 LYS 37 -0.646 -17.932 -5.949 286 HG3 LYS 37 HG3 LYS 37 0.811 -17.269 -5.220 287 HD2 LYS 37 HD2 LYS 37 -1.820 -17.893 -3.806 288 HD3 LYS 37 HD3 LYS 37 -0.333 -18.846 -3.733 289 HE2 LYS 37 HE2 LYS 37 0.838 -16.903 -2.676 290 HE3 LYS 37 HE3 LYS 37 -0.687 -16.003 -2.694 291 HZ1 LYS 37 HZ1 LYS 37 -0.336 -17.069 -0.551 292 HZ2 LYS 37 HZ2 LYS 37 -0.225 -18.548 -1.231 293 HZ3 LYS 37 HZ3 LYS 37 -1.643 -17.732 -1.264 294 H LEU 38 H LEU 38 1.264 -12.492 -5.741 295 HA LEU 38 HA LEU 38 3.081 -13.576 -7.842 296 HB2 LEU 38 HB2 LEU 38 0.810 -11.652 -8.090 297 HB3 LEU 38 HB3 LEU 38 2.314 -11.071 -8.752 298 HG LEU 38 HG LEU 38 2.501 -13.120 -10.172 299 HD11 LEU 38 HD11 LEU 38 1.082 -14.715 -8.998 300 HD12 LEU 38 HD12 LEU 38 0.429 -14.430 -10.605 301 HD13 LEU 38 HD13 LEU 38 -0.335 -13.659 -9.198 302 HD21 LEU 38 HD21 LEU 38 0.791 -12.403 -11.789 303 HD22 LEU 38 HD22 LEU 38 1.583 -11.011 -11.042 304 HD23 LEU 38 HD23 LEU 38 -0.046 -11.485 -10.514 305 HA PRO 39 HA PRO 39 6.170 -11.202 -5.818 306 HB2 PRO 39 HB2 PRO 39 7.957 -10.615 -7.836 307 HB3 PRO 39 HB3 PRO 39 7.676 -12.262 -7.201 308 HG2 PRO 39 HG2 PRO 39 6.438 -10.965 -9.650 309 HG3 PRO 39 HG3 PRO 39 7.235 -12.567 -9.530 310 HD2 PRO 39 HD2 PRO 39 4.543 -12.321 -9.387 311 HD3 PRO 39 HD3 PRO 39 5.409 -13.496 -8.355 312 HA PRO 40 HA PRO 40 5.513 -6.832 -6.054 313 HB2 PRO 40 HB2 PRO 40 7.889 -5.697 -5.296 314 HB3 PRO 40 HB3 PRO 40 6.837 -6.626 -4.186 315 HG2 PRO 40 HG2 PRO 40 9.255 -7.628 -5.725 316 HG3 PRO 40 HG3 PRO 40 8.897 -7.824 -3.977 317 HD2 PRO 40 HD2 PRO 40 8.330 -9.776 -5.762 318 HD3 PRO 40 HD3 PRO 40 7.225 -9.435 -4.406 319 H ASP 41 H ASP 41 7.832 -8.224 -8.232 320 HA ASP 41 HA ASP 41 8.382 -5.912 -9.871 321 HB2 ASP 41 HB2 ASP 41 9.633 -8.078 -9.906 322 HB3 ASP 41 HB3 ASP 41 8.214 -8.869 -10.594 323 H THR 42 H THR 42 5.710 -8.283 -9.780 324 HA THR 42 HA THR 42 4.349 -7.054 -12.095 325 HB THR 42 HB THR 42 2.599 -8.890 -11.458 326 HG1 THR 42 HG1 THR 42 3.787 -9.396 -9.449 327 HG21 THR 42 HG21 THR 42 5.345 -9.598 -12.559 328 HG22 THR 42 HG22 THR 42 3.963 -8.963 -13.485 329 HG23 THR 42 HG23 THR 42 3.864 -10.567 -12.740 330 H THR 43 H THR 43 4.121 -6.736 -8.602 331 HA THR 43 HA THR 43 1.833 -4.889 -9.093 332 HB THR 43 HB THR 43 1.868 -6.871 -6.799 333 HG1 THR 43 HG1 THR 43 1.180 -7.813 -8.692 334 HG21 THR 43 HG21 THR 43 -0.160 -4.720 -7.565 335 HG22 THR 43 HG22 THR 43 0.847 -4.733 -6.098 336 HG23 THR 43 HG23 THR 43 -0.398 -5.965 -6.324 337 H ARG 44 H ARG 44 2.139 -2.944 -8.327 338 HA ARG 44 HA ARG 44 4.241 -2.461 -6.255 339 HB2 ARG 44 HB2 ARG 44 4.750 -2.036 -8.835 340 HB3 ARG 44 HB3 ARG 44 3.831 -0.554 -8.558 341 HG2 ARG 44 HG2 ARG 44 5.435 -0.079 -6.606 342 HG3 ARG 44 HG3 ARG 44 6.378 -1.473 -7.136 343 HD2 ARG 44 HD2 ARG 44 5.758 1.023 -8.771 344 HD3 ARG 44 HD3 ARG 44 7.279 0.690 -7.928 345 HE ARG 44 HE ARG 44 6.819 -1.490 -9.665 346 HH11 ARG 44 HH11 ARG 44 7.556 1.921 -9.976 347 HH12 ARG 44 HH12 ARG 44 8.315 1.713 -11.531 348 HH21 ARG 44 HH21 ARG 44 7.788 -1.684 -11.665 349 HH22 ARG 44 HH22 ARG 44 8.440 -0.278 -12.454 350 H LEU 45 H LEU 45 4.118 -0.425 -5.169 351 HA LEU 45 HA LEU 45 1.333 0.557 -4.699 352 HB2 LEU 45 HB2 LEU 45 2.064 -1.114 -3.051 353 HB3 LEU 45 HB3 LEU 45 3.556 -0.226 -2.778 354 HG LEU 45 HG LEU 45 2.308 1.642 -1.749 355 HD11 LEU 45 HD11 LEU 45 -0.104 -0.086 -2.424 356 HD12 LEU 45 HD12 LEU 45 0.148 1.648 -2.731 357 HD13 LEU 45 HD13 LEU 45 -0.128 1.065 -1.087 358 HD21 LEU 45 HD21 LEU 45 1.673 0.446 0.285 359 HD22 LEU 45 HD22 LEU 45 3.140 -0.270 -0.398 360 HD23 LEU 45 HD23 LEU 45 1.572 -1.083 -0.621 361 H THR 46 H THR 46 1.061 2.731 -4.551 362 HA THR 46 HA THR 46 3.430 4.483 -4.070 363 HB THR 46 HB THR 46 2.639 6.097 -5.718 364 HG1 THR 46 HG1 THR 46 0.480 5.558 -5.885 365 HG21 THR 46 HG21 THR 46 3.041 3.377 -7.023 366 HG22 THR 46 HG22 THR 46 4.342 4.420 -6.397 367 HG23 THR 46 HG23 THR 46 3.329 4.974 -7.743 368 H TYR 47 H TYR 47 3.057 6.499 -3.203 369 HA TYR 47 HA TYR 47 0.404 7.296 -2.218 370 HB2 TYR 47 HB2 TYR 47 0.870 5.928 -0.394 371 HB3 TYR 47 HB3 TYR 47 2.600 6.220 -0.461 372 HD1 TYR 47 HD1 TYR 47 -0.580 8.187 0.124 373 HD2 TYR 47 HD2 TYR 47 3.549 7.538 1.187 374 HE1 TYR 47 HE1 TYR 47 -0.729 9.998 1.836 375 HE2 TYR 47 HE2 TYR 47 3.387 9.311 2.920 376 HH TYR 47 HH TYR 47 2.030 10.863 3.944 377 H LYS 48 H LYS 48 0.258 9.478 -2.045 378 HA LYS 48 HA LYS 48 0.709 11.649 -2.552 379 HB2 LYS 48 HB2 LYS 48 1.707 11.137 -0.180 380 HB3 LYS 48 HB3 LYS 48 3.264 11.380 -0.965 381 HG2 LYS 48 HG2 LYS 48 2.075 13.650 -1.826 382 HG3 LYS 48 HG3 LYS 48 0.966 13.310 -0.504 383 HD2 LYS 48 HD2 LYS 48 2.611 14.816 0.328 384 HD3 LYS 48 HD3 LYS 48 2.983 13.240 1.054 385 HE2 LYS 48 HE2 LYS 48 4.754 12.866 -0.638 386 HE3 LYS 48 HE3 LYS 48 4.307 14.361 -1.467 387 HZ1 LYS 48 HZ1 LYS 48 6.229 14.693 -0.024 388 HZ2 LYS 48 HZ2 LYS 48 5.396 14.214 1.297 389 HZ3 LYS 48 HZ3 LYS 48 4.985 15.595 0.521 390 H GLY 49 H GLY 49 1.591 9.967 -4.647 391 HA2 GLY 49 HA2 GLY 49 2.689 10.158 -6.669 392 HA3 GLY 49 HA3 GLY 49 3.251 11.758 -6.186 393 H ARG 50 H ARG 50 4.107 9.105 -4.090 394 HA ARG 50 HA ARG 50 6.849 8.786 -5.265 395 HB2 ARG 50 HB2 ARG 50 6.053 9.097 -2.334 396 HB3 ARG 50 HB3 ARG 50 7.662 8.672 -2.885 397 HG2 ARG 50 HG2 ARG 50 6.287 11.339 -3.446 398 HG3 ARG 50 HG3 ARG 50 7.431 11.003 -2.159 399 HD2 ARG 50 HD2 ARG 50 8.921 11.842 -3.590 400 HD3 ARG 50 HD3 ARG 50 8.985 10.184 -4.191 401 HE ARG 50 HE ARG 50 7.040 11.178 -5.773 402 HH11 ARG 50 HH11 ARG 50 10.150 12.637 -5.035 403 HH12 ARG 50 HH12 ARG 50 10.117 13.627 -6.469 404 HH21 ARG 50 HH21 ARG 50 7.060 12.455 -7.543 405 HH22 ARG 50 HH22 ARG 50 8.404 13.522 -7.859 406 H ALA 51 H ALA 51 7.913 6.824 -4.632 407 HA ALA 51 HA ALA 51 6.167 4.529 -3.876 408 HB1 ALA 51 HB1 ALA 51 9.079 4.629 -4.774 409 HB2 ALA 51 HB2 ALA 51 8.145 3.162 -4.403 410 HB3 ALA 51 HB3 ALA 51 7.684 4.180 -5.785 411 H LEU 52 H LEU 52 6.210 3.737 -1.811 412 HA LEU 52 HA LEU 52 7.930 5.109 0.186 413 HB2 LEU 52 HB2 LEU 52 5.345 4.986 0.300 414 HB3 LEU 52 HB3 LEU 52 5.562 3.287 0.699 415 HG LEU 52 HG LEU 52 7.061 4.097 2.648 416 HD11 LEU 52 HD11 LEU 52 5.719 6.740 1.928 417 HD12 LEU 52 HD12 LEU 52 7.464 6.411 1.924 418 HD13 LEU 52 HD13 LEU 52 6.567 6.410 3.448 419 HD21 LEU 52 HD21 LEU 52 5.146 4.559 4.090 420 HD22 LEU 52 HD22 LEU 52 4.729 3.279 2.944 421 HD23 LEU 52 HD23 LEU 52 4.133 4.934 2.679 422 H LYS 53 H LYS 53 9.819 4.124 0.650 423 HA LYS 53 HA LYS 53 9.932 1.262 1.306 424 HB2 LYS 53 HB2 LYS 53 10.204 1.463 -1.204 425 HB3 LYS 53 HB3 LYS 53 11.710 2.340 -0.922 426 HG2 LYS 53 HG2 LYS 53 12.671 0.387 0.217 427 HG3 LYS 53 HG3 LYS 53 11.131 -0.476 0.129 428 HD2 LYS 53 HD2 LYS 53 12.811 0.383 -2.268 429 HD3 LYS 53 HD3 LYS 53 12.826 -1.225 -1.531 430 HE2 LYS 53 HE2 LYS 53 10.376 -1.449 -2.017 431 HE3 LYS 53 HE3 LYS 53 10.418 0.113 -2.845 432 HZ1 LYS 53 HZ1 LYS 53 12.041 -0.839 -4.404 433 HZ2 LYS 53 HZ2 LYS 53 10.666 -1.714 -4.418 434 HZ3 LYS 53 HZ3 LYS 53 11.983 -2.285 -3.646 435 H ASP 54 H ASP 54 11.815 0.630 2.399 436 HA ASP 54 HA ASP 54 13.280 0.782 4.070 437 HB2 ASP 54 HB2 ASP 54 14.617 1.289 1.994 438 HB3 ASP 54 HB3 ASP 54 14.590 2.989 2.462 439 H THR 55 H THR 55 10.922 2.398 4.543 440 HA THR 55 HA THR 55 11.795 4.817 5.961 441 HB THR 55 HB THR 55 9.435 5.196 6.338 442 HG1 THR 55 HG1 THR 55 7.924 3.694 5.695 443 HG21 THR 55 HG21 THR 55 8.665 5.455 4.106 444 HG22 THR 55 HG22 THR 55 9.659 4.116 3.502 445 HG23 THR 55 HG23 THR 55 10.429 5.634 4.017 446 H GLU 56 H GLU 56 11.205 1.549 6.856 447 HA GLU 56 HA GLU 56 10.764 0.378 8.709 448 HB2 GLU 56 HB2 GLU 56 12.358 2.599 9.899 449 HB3 GLU 56 HB3 GLU 56 11.376 1.667 11.013 450 HG2 GLU 56 HG2 GLU 56 13.315 0.420 9.018 451 HG3 GLU 56 HG3 GLU 56 13.736 0.835 10.679 452 H THR 57 H THR 57 9.739 3.708 9.671 453 HA THR 57 HA THR 57 6.963 2.721 9.983 454 HB THR 57 HB THR 57 6.696 3.718 12.203 455 HG1 THR 57 HG1 THR 57 9.522 3.879 12.242 456 HG21 THR 57 HG21 THR 57 7.156 1.290 12.078 457 HG22 THR 57 HG22 THR 57 7.745 2.034 13.576 458 HG23 THR 57 HG23 THR 57 8.892 1.614 12.286 459 H LEU 58 H LEU 58 5.377 4.320 9.934 460 HA LEU 58 HA LEU 58 5.985 6.623 8.354 461 HB2 LEU 58 HB2 LEU 58 3.521 5.742 9.915 462 HB3 LEU 58 HB3 LEU 58 3.565 7.244 9.018 463 HG LEU 58 HG LEU 58 2.414 5.552 7.775 464 HD11 LEU 58 HD11 LEU 58 5.048 6.160 6.384 465 HD12 LEU 58 HD12 LEU 58 3.688 7.296 6.552 466 HD13 LEU 58 HD13 LEU 58 3.483 5.797 5.632 467 HD21 LEU 58 HD21 LEU 58 3.610 3.525 8.579 468 HD22 LEU 58 HD22 LEU 58 4.990 3.962 7.538 469 HD23 LEU 58 HD23 LEU 58 3.415 3.592 6.820 470 H GLU 59 H GLU 59 5.711 6.280 11.883 471 HA GLU 59 HA GLU 59 5.432 9.085 12.413 472 HB2 GLU 59 HB2 GLU 59 5.604 8.559 14.671 473 HB3 GLU 59 HB3 GLU 59 4.835 7.177 13.927 474 HG2 GLU 59 HG2 GLU 59 6.301 6.092 15.299 475 HG3 GLU 59 HG3 GLU 59 7.270 6.160 13.835 476 H SER 60 H SER 60 8.291 7.233 11.606 477 HA SER 60 HA SER 60 10.218 9.175 12.558 478 HB2 SER 60 HB2 SER 60 11.828 7.979 11.316 479 HB3 SER 60 HB3 SER 60 10.718 6.770 11.979 480 HG SER 60 HG SER 60 9.780 6.547 9.943 481 H LEU 61 H LEU 61 8.201 8.989 9.705 482 HA LEU 61 HA LEU 61 9.520 11.322 8.407 483 HB2 LEU 61 HB2 LEU 61 7.278 9.528 7.408 484 HB3 LEU 61 HB3 LEU 61 8.143 10.750 6.481 485 HG LEU 61 HG LEU 61 9.293 8.125 7.532 486 HD11 LEU 61 HD11 LEU 61 7.811 7.888 5.596 487 HD12 LEU 61 HD12 LEU 61 9.498 7.606 5.132 488 HD13 LEU 61 HD13 LEU 61 8.717 9.144 4.720 489 HD21 LEU 61 HD21 LEU 61 11.071 9.827 7.563 490 HD22 LEU 61 HD22 LEU 61 10.649 10.326 5.908 491 HD23 LEU 61 HD23 LEU 61 11.320 8.709 6.221 492 H GLY 62 H GLY 62 7.102 10.766 10.630 493 HA2 GLY 62 HA2 GLY 62 5.640 12.343 11.619 494 HA3 GLY 62 HA3 GLY 62 5.683 13.335 10.165 495 H VAL 63 H VAL 63 3.805 11.271 11.937 496 HA VAL 63 HA VAL 63 2.236 9.993 9.822 497 HB VAL 63 HB VAL 63 0.588 9.608 11.755 498 HG11 VAL 63 HG11 VAL 63 1.918 7.742 12.648 499 HG12 VAL 63 HG12 VAL 63 2.007 7.858 10.883 500 HG13 VAL 63 HG13 VAL 63 3.367 8.416 11.877 501 HG21 VAL 63 HG21 VAL 63 1.499 11.360 13.305 502 HG22 VAL 63 HG22 VAL 63 1.393 9.742 14.014 503 HG23 VAL 63 HG23 VAL 63 2.967 10.368 13.501 504 H ALA 64 H ALA 64 0.085 10.386 9.320 505 HA ALA 64 HA ALA 64 -1.308 12.767 10.271 506 HB1 ALA 64 HB1 ALA 64 -0.696 12.370 7.308 507 HB2 ALA 64 HB2 ALA 64 -1.793 13.590 7.984 508 HB3 ALA 64 HB3 ALA 64 -0.058 13.668 8.339 509 H ASP 65 H ASP 65 -3.624 12.698 9.618 510 HA ASP 65 HA ASP 65 -4.588 9.897 9.414 511 HB2 ASP 65 HB2 ASP 65 -5.331 11.474 11.275 512 HB3 ASP 65 HB3 ASP 65 -6.219 12.379 10.043 513 H GLY 66 H GLY 66 -6.114 9.195 7.875 514 HA2 GLY 66 HA2 GLY 66 -7.383 9.209 5.967 515 HA3 GLY 66 HA3 GLY 66 -7.310 10.970 5.933 516 H ASP 67 H ASP 67 -4.414 8.900 5.817 517 HA ASP 67 HA ASP 67 -3.494 9.996 3.298 518 HB2 ASP 67 HB2 ASP 67 -2.598 7.502 4.785 519 HB3 ASP 67 HB3 ASP 67 -1.767 8.224 3.417 520 H LYS 68 H LYS 68 -3.337 8.999 1.238 521 HA LYS 68 HA LYS 68 -5.224 6.721 0.742 522 HB2 LYS 68 HB2 LYS 68 -4.749 9.066 -1.135 523 HB3 LYS 68 HB3 LYS 68 -5.790 7.673 -1.392 524 HG2 LYS 68 HG2 LYS 68 -7.413 9.067 -0.685 525 HG3 LYS 68 HG3 LYS 68 -6.895 8.533 0.918 526 HD2 LYS 68 HD2 LYS 68 -5.427 10.551 1.088 527 HD3 LYS 68 HD3 LYS 68 -5.987 11.074 -0.514 528 HE2 LYS 68 HE2 LYS 68 -8.291 11.236 0.286 529 HE3 LYS 68 HE3 LYS 68 -7.834 10.542 1.851 530 HZ1 LYS 68 HZ1 LYS 68 -7.989 12.970 1.950 531 HZ2 LYS 68 HZ2 LYS 68 -6.815 13.135 0.825 532 HZ3 LYS 68 HZ3 LYS 68 -6.474 12.466 2.287 533 H PHE 69 H PHE 69 -4.153 4.992 0.272 534 HA PHE 69 HA PHE 69 -1.614 5.058 -1.292 535 HB2 PHE 69 HB2 PHE 69 -3.020 2.944 0.373 536 HB3 PHE 69 HB3 PHE 69 -1.673 2.584 -0.686 537 HD1 PHE 69 HD1 PHE 69 -2.660 4.586 2.323 538 HD2 PHE 69 HD2 PHE 69 0.595 3.080 -0.076 539 HE1 PHE 69 HE1 PHE 69 -1.035 5.318 4.055 540 HE2 PHE 69 HE2 PHE 69 2.207 3.779 1.670 541 HZ PHE 69 HZ PHE 69 1.399 4.917 3.731 542 H VAL 70 H VAL 70 -1.389 4.074 -3.284 543 HA VAL 70 HA VAL 70 -3.862 2.989 -4.603 544 HB VAL 70 HB VAL 70 -1.719 4.688 -5.919 545 HG11 VAL 70 HG11 VAL 70 -3.250 4.660 -7.863 546 HG12 VAL 70 HG12 VAL 70 -2.706 3.031 -7.469 547 HG13 VAL 70 HG13 VAL 70 -4.338 3.552 -7.000 548 HG21 VAL 70 HG21 VAL 70 -3.137 6.109 -4.510 549 HG22 VAL 70 HG22 VAL 70 -3.531 6.363 -6.210 550 HG23 VAL 70 HG23 VAL 70 -4.601 5.372 -5.195 551 H LEU 71 H LEU 71 -3.669 1.025 -5.467 552 HA LEU 71 HA LEU 71 -0.943 -0.201 -5.575 553 HB2 LEU 71 HB2 LEU 71 -2.498 -0.979 -3.715 554 HB3 LEU 71 HB3 LEU 71 -3.561 -1.597 -4.970 555 HG LEU 71 HG LEU 71 -1.497 -2.938 -5.825 556 HD11 LEU 71 HD11 LEU 71 -0.627 -2.379 -2.955 557 HD12 LEU 71 HD12 LEU 71 0.147 -1.683 -4.393 558 HD13 LEU 71 HD13 LEU 71 0.181 -3.422 -4.146 559 HD21 LEU 71 HD21 LEU 71 -3.438 -3.988 -4.754 560 HD22 LEU 71 HD22 LEU 71 -2.784 -3.602 -3.145 561 HD23 LEU 71 HD23 LEU 71 -1.935 -4.747 -4.210 562 H ILE 72 H ILE 72 -0.253 -0.866 -7.463 563 HA ILE 72 HA ILE 72 -2.163 -1.051 -9.764 564 HB ILE 72 HB ILE 72 0.722 -0.078 -9.792 565 HG12 ILE 72 HG12 ILE 72 -0.720 2.113 -10.549 566 HG13 ILE 72 HG13 ILE 72 -1.856 1.427 -9.398 567 HG21 ILE 72 HG21 ILE 72 0.175 0.654 -12.087 568 HG22 ILE 72 HG22 ILE 72 0.008 -1.092 -11.918 569 HG23 ILE 72 HG23 ILE 72 -1.444 -0.063 -11.939 570 HD11 ILE 72 HD11 ILE 72 -0.342 3.076 -8.348 571 HD12 ILE 72 HD12 ILE 72 -0.027 1.477 -7.656 572 HD13 ILE 72 HD13 ILE 72 1.074 2.151 -8.874 573 H THR 73 H THR 73 -2.233 -2.970 -10.756 574 HA THR 73 HA THR 73 0.077 -4.848 -10.486 575 HB THR 73 HB THR 73 -1.970 -5.603 -9.326 576 HG1 THR 73 HG1 THR 73 -0.593 -7.125 -9.929 577 HG21 THR 73 HG21 THR 73 -3.820 -6.539 -10.614 578 HG22 THR 73 HG22 THR 73 -3.140 -5.930 -12.129 579 HG23 THR 73 HG23 THR 73 -3.723 -4.791 -10.892 580 H ARG 74 H ARG 74 0.904 -5.835 -12.231 581 HA ARG 74 HA ARG 74 0.364 -4.705 -14.905 582 HB2 ARG 74 HB2 ARG 74 2.364 -6.742 -13.844 583 HB3 ARG 74 HB3 ARG 74 2.291 -6.256 -15.529 584 HG2 ARG 74 HG2 ARG 74 2.727 -4.187 -13.333 585 HG3 ARG 74 HG3 ARG 74 4.038 -5.181 -13.947 586 HD2 ARG 74 HD2 ARG 74 4.159 -3.155 -15.160 587 HD3 ARG 74 HD3 ARG 74 3.580 -4.387 -16.262 588 HE ARG 74 HE ARG 74 1.568 -3.261 -16.499 589 HH11 ARG 74 HH11 ARG 74 3.284 -1.744 -13.847 590 HH12 ARG 74 HH12 ARG 74 2.209 -0.373 -13.820 591 HH21 ARG 74 HH21 ARG 74 0.200 -1.521 -16.363 592 HH22 ARG 74 HH22 ARG 74 0.498 -0.269 -15.196 593 H THR 75 H THR 75 -1.090 -5.540 -16.245 594 HA THR 75 HA THR 75 -2.310 -8.143 -15.999 595 HB THR 75 HB THR 75 -2.112 -6.391 -18.479 596 HG1 THR 75 HG1 THR 75 -4.071 -6.400 -16.421 597 HG21 THR 75 HG21 THR 75 -4.162 -8.490 -17.634 598 HG22 THR 75 HG22 THR 75 -3.043 -8.587 -19.014 599 HG23 THR 75 HG23 THR 75 -4.339 -7.387 -19.016 600 H VAL 76 H VAL 76 -1.875 -10.075 -17.096 601 HA VAL 76 HA VAL 76 0.574 -10.246 -18.767 602 HB VAL 76 HB VAL 76 1.259 -10.674 -16.465 603 HG11 VAL 76 HG11 VAL 76 0.587 -12.675 -15.246 604 HG12 VAL 76 HG12 VAL 76 -0.821 -11.644 -15.527 605 HG13 VAL 76 HG13 VAL 76 -0.580 -13.105 -16.511 606 HG21 VAL 76 HG21 VAL 76 2.464 -12.735 -16.843 607 HG22 VAL 76 HG22 VAL 76 1.351 -13.216 -18.136 608 HG23 VAL 76 HG23 VAL 76 2.412 -11.800 -18.345 609 H GLY 77 H GLY 77 0.571 -11.734 -20.347 610 HA2 GLY 77 HA2 GLY 77 -0.997 -14.001 -20.792 611 HA3 GLY 77 HA3 GLY 77 -1.985 -12.646 -21.344 Start of MODEL 4 1 HA MET 1 HA MET 1 -5.284 6.038 13.135 2 HB2 MET 1 HB2 MET 1 -7.297 8.252 12.691 3 HB3 MET 1 HB3 MET 1 -7.838 6.639 13.147 4 HG2 MET 1 HG2 MET 1 -5.770 8.230 14.709 5 HG3 MET 1 HG3 MET 1 -7.498 8.167 15.076 6 HE1 MET 1 HE1 MET 1 -6.099 6.053 18.022 7 HE2 MET 1 HE2 MET 1 -5.326 7.478 17.290 8 HE3 MET 1 HE3 MET 1 -7.091 7.443 17.528 9 H LYS 2 H LYS 2 -7.072 7.374 10.275 10 HA LYS 2 HA LYS 2 -7.380 4.546 9.319 11 HB2 LYS 2 HB2 LYS 2 -9.074 6.994 8.706 12 HB3 LYS 2 HB3 LYS 2 -9.285 5.383 8.005 13 HG2 LYS 2 HG2 LYS 2 -9.616 4.451 10.307 14 HG3 LYS 2 HG3 LYS 2 -9.549 6.101 10.957 15 HD2 LYS 2 HD2 LYS 2 -11.502 6.716 9.514 16 HD3 LYS 2 HD3 LYS 2 -11.589 5.028 8.960 17 HE2 LYS 2 HE2 LYS 2 -11.898 4.287 11.324 18 HE3 LYS 2 HE3 LYS 2 -11.834 5.972 11.855 19 HZ1 LYS 2 HZ1 LYS 2 -13.837 6.393 10.524 20 HZ2 LYS 2 HZ2 LYS 2 -14.123 5.213 11.610 21 HZ3 LYS 2 HZ3 LYS 2 -13.896 4.834 10.041 22 H ILE 3 H ILE 3 -7.037 3.989 7.254 23 HA ILE 3 HA ILE 3 -5.839 5.951 5.379 24 HB ILE 3 HB ILE 3 -4.207 4.370 4.570 25 HG12 ILE 3 HG12 ILE 3 -3.718 2.355 6.263 26 HG13 ILE 3 HG13 ILE 3 -5.455 2.417 6.507 27 HG21 ILE 3 HG21 ILE 3 -2.625 4.463 6.382 28 HG22 ILE 3 HG22 ILE 3 -3.608 5.934 6.387 29 HG23 ILE 3 HG23 ILE 3 -3.918 4.658 7.580 30 HD11 ILE 3 HD11 ILE 3 -4.776 0.772 4.789 31 HD12 ILE 3 HD12 ILE 3 -5.777 2.026 4.053 32 HD13 ILE 3 HD13 ILE 3 -4.014 2.056 3.832 33 H LYS 4 H LYS 4 -6.129 5.446 3.151 34 HA LYS 4 HA LYS 4 -8.261 3.408 2.556 35 HB2 LYS 4 HB2 LYS 4 -7.820 6.173 1.441 36 HB3 LYS 4 HB3 LYS 4 -8.455 4.907 0.380 37 HG2 LYS 4 HG2 LYS 4 -10.268 4.428 1.956 38 HG3 LYS 4 HG3 LYS 4 -9.684 5.696 3.051 39 HD2 LYS 4 HD2 LYS 4 -10.188 7.425 1.381 40 HD3 LYS 4 HD3 LYS 4 -10.504 6.196 0.155 41 HE2 LYS 4 HE2 LYS 4 -12.661 6.867 0.844 42 HE3 LYS 4 HE3 LYS 4 -12.375 5.306 1.611 43 HZ1 LYS 4 HZ1 LYS 4 -11.613 6.744 3.603 44 HZ2 LYS 4 HZ2 LYS 4 -13.202 6.599 3.338 45 HZ3 LYS 4 HZ3 LYS 4 -12.415 7.972 2.878 46 H ILE 5 H ILE 5 -7.582 1.671 1.573 47 HA ILE 5 HA ILE 5 -5.178 1.796 -0.184 48 HB ILE 5 HB ILE 5 -5.255 -0.058 1.428 49 HG12 ILE 5 HG12 ILE 5 -4.857 -1.945 -0.152 50 HG13 ILE 5 HG13 ILE 5 -5.446 -0.959 -1.483 51 HG21 ILE 5 HG21 ILE 5 -7.698 -0.440 1.536 52 HG22 ILE 5 HG22 ILE 5 -7.677 -1.077 -0.123 53 HG23 ILE 5 HG23 ILE 5 -6.818 -1.923 1.178 54 HD11 ILE 5 HD11 ILE 5 -2.957 -1.048 -1.310 55 HD12 ILE 5 HD12 ILE 5 -3.576 0.603 -1.189 56 HD13 ILE 5 HD13 ILE 5 -3.052 -0.258 0.278 57 H VAL 6 H VAL 6 -5.344 1.747 -2.364 58 HA VAL 6 HA VAL 6 -8.059 1.477 -3.609 59 HB VAL 6 HB VAL 6 -5.990 3.480 -4.551 60 HG11 VAL 6 HG11 VAL 6 -7.939 4.421 -5.729 61 HG12 VAL 6 HG12 VAL 6 -7.718 2.729 -6.184 62 HG13 VAL 6 HG13 VAL 6 -8.992 3.174 -5.028 63 HG21 VAL 6 HG21 VAL 6 -6.565 4.253 -2.346 64 HG22 VAL 6 HG22 VAL 6 -7.464 5.221 -3.516 65 HG23 VAL 6 HG23 VAL 6 -8.285 3.924 -2.618 66 HA PRO 7 HA PRO 7 -5.144 -1.388 -5.722 67 HB2 PRO 7 HB2 PRO 7 -6.486 -3.725 -5.501 68 HB3 PRO 7 HB3 PRO 7 -5.586 -3.020 -4.123 69 HG2 PRO 7 HG2 PRO 7 -8.563 -2.863 -4.676 70 HG3 PRO 7 HG3 PRO 7 -7.736 -3.247 -3.137 71 HD2 PRO 7 HD2 PRO 7 -8.668 -0.724 -3.806 72 HD3 PRO 7 HD3 PRO 7 -7.296 -1.009 -2.706 73 H ALA 8 H ALA 8 -5.120 -1.602 -7.873 74 HA ALA 8 HA ALA 8 -7.433 -1.132 -9.548 75 HB1 ALA 8 HB1 ALA 8 -5.792 -1.332 -11.359 76 HB2 ALA 8 HB2 ALA 8 -5.143 -0.335 -10.048 77 HB3 ALA 8 HB3 ALA 8 -4.601 -2.019 -10.232 78 H VAL 9 H VAL 9 -8.017 -3.375 -7.942 79 HA VAL 9 HA VAL 9 -8.168 -5.660 -9.849 80 HB VAL 9 HB VAL 9 -7.179 -5.923 -6.981 81 HG11 VAL 9 HG11 VAL 9 -8.394 -7.932 -7.625 82 HG12 VAL 9 HG12 VAL 9 -7.543 -7.992 -9.191 83 HG13 VAL 9 HG13 VAL 9 -6.672 -8.284 -7.678 84 HG21 VAL 9 HG21 VAL 9 -5.033 -6.677 -7.998 85 HG22 VAL 9 HG22 VAL 9 -5.653 -6.221 -9.596 86 HG23 VAL 9 HG23 VAL 9 -5.373 -4.986 -8.346 87 H GLY 10 H GLY 10 -9.941 -7.037 -9.548 88 HA2 GLY 10 HA2 GLY 10 -12.041 -7.715 -8.864 89 HA3 GLY 10 HA3 GLY 10 -11.669 -7.051 -7.275 90 H GLY 11 H GLY 11 -13.046 -5.504 -6.627 91 HA2 GLY 11 HA2 GLY 11 -14.965 -4.166 -8.316 92 HA3 GLY 11 HA3 GLY 11 -14.598 -3.806 -6.627 93 H GLY 12 H GLY 12 -11.636 -3.373 -7.534 94 HA2 GLY 12 HA2 GLY 12 -10.271 -1.692 -8.268 95 HA3 GLY 12 HA3 GLY 12 -11.560 -1.157 -9.339 96 H SER 13 H SER 13 -12.698 -1.105 -6.160 97 HA SER 13 HA SER 13 -12.769 1.819 -6.170 98 HB2 SER 13 HB2 SER 13 -14.516 1.447 -4.419 99 HB3 SER 13 HB3 SER 13 -14.843 0.618 -5.952 100 HG SER 13 HG SER 13 -15.200 -0.717 -4.101 101 HA PRO 14 HA PRO 14 -10.109 2.415 -2.553 102 HB2 PRO 14 HB2 PRO 14 -11.360 4.482 -1.257 103 HB3 PRO 14 HB3 PRO 14 -10.434 4.708 -2.770 104 HG2 PRO 14 HG2 PRO 14 -13.430 4.351 -2.467 105 HG3 PRO 14 HG3 PRO 14 -12.553 5.602 -3.403 106 HD2 PRO 14 HD2 PRO 14 -13.516 3.385 -4.602 107 HD3 PRO 14 HD3 PRO 14 -11.924 4.043 -5.075 108 H LEU 15 H LEU 15 -10.018 1.619 -0.486 109 HA LEU 15 HA LEU 15 -12.529 0.985 0.994 110 HB2 LEU 15 HB2 LEU 15 -11.752 -0.960 -0.309 111 HB3 LEU 15 HB3 LEU 15 -10.213 -0.944 0.535 112 HG LEU 15 HG LEU 15 -12.819 -1.144 2.093 113 HD11 LEU 15 HD11 LEU 15 -12.696 -3.599 1.924 114 HD12 LEU 15 HD12 LEU 15 -11.339 -3.462 0.782 115 HD13 LEU 15 HD13 LEU 15 -12.952 -2.863 0.336 116 HD21 LEU 15 HD21 LEU 15 -10.733 -0.903 3.419 117 HD22 LEU 15 HD22 LEU 15 -10.027 -2.294 2.578 118 HD23 LEU 15 HD23 LEU 15 -11.436 -2.501 3.641 119 H GLU 16 H GLU 16 -12.495 1.788 2.978 120 HA GLU 16 HA GLU 16 -9.976 2.860 4.068 121 HB2 GLU 16 HB2 GLU 16 -11.327 4.163 5.558 122 HB3 GLU 16 HB3 GLU 16 -11.853 4.343 3.889 123 HG2 GLU 16 HG2 GLU 16 -13.728 2.696 4.381 124 HG3 GLU 16 HG3 GLU 16 -13.232 2.735 6.077 125 H LEU 17 H LEU 17 -8.971 2.263 5.878 126 HA LEU 17 HA LEU 17 -10.136 0.287 7.750 127 HB2 LEU 17 HB2 LEU 17 -7.738 -0.126 5.954 128 HB3 LEU 17 HB3 LEU 17 -7.694 -0.811 7.568 129 HG LEU 17 HG LEU 17 -9.956 -1.411 5.625 130 HD11 LEU 17 HD11 LEU 17 -7.422 -3.003 6.173 131 HD12 LEU 17 HD12 LEU 17 -7.835 -2.168 4.656 132 HD13 LEU 17 HD13 LEU 17 -8.809 -3.543 5.198 133 HD21 LEU 17 HD21 LEU 17 -8.982 -2.802 8.164 134 HD22 LEU 17 HD22 LEU 17 -10.289 -3.373 7.105 135 HD23 LEU 17 HD23 LEU 17 -10.484 -1.867 8.003 136 H GLU 18 H GLU 18 -9.257 0.269 9.765 137 HA GLU 18 HA GLU 18 -7.578 2.542 10.657 138 HB2 GLU 18 HB2 GLU 18 -8.902 0.224 12.110 139 HB3 GLU 18 HB3 GLU 18 -7.914 1.459 12.903 140 HG2 GLU 18 HG2 GLU 18 -9.479 3.193 12.416 141 HG3 GLU 18 HG3 GLU 18 -10.352 2.202 11.246 142 H VAL 19 H VAL 19 -5.437 2.358 11.235 143 HA VAL 19 HA VAL 19 -4.138 -0.316 11.305 144 HB VAL 19 HB VAL 19 -2.277 0.424 9.912 145 HG11 VAL 19 HG11 VAL 19 -4.122 -0.885 8.907 146 HG12 VAL 19 HG12 VAL 19 -4.893 0.627 8.380 147 HG13 VAL 19 HG13 VAL 19 -3.302 0.168 7.745 148 HG21 VAL 19 HG21 VAL 19 -2.450 2.873 10.127 149 HG22 VAL 19 HG22 VAL 19 -2.441 2.370 8.434 150 HG23 VAL 19 HG23 VAL 19 -3.970 2.853 9.201 151 H ALA 20 H ALA 20 -2.122 -0.415 12.351 152 HA ALA 20 HA ALA 20 -1.838 1.339 14.622 153 HB1 ALA 20 HB1 ALA 20 -1.320 -1.076 14.691 154 HB2 ALA 20 HB2 ALA 20 -0.011 -0.841 13.509 155 HB3 ALA 20 HB3 ALA 20 0.104 -0.119 15.126 156 HA PRO 21 HA PRO 21 1.062 4.339 12.884 157 HB2 PRO 21 HB2 PRO 21 2.507 5.087 15.086 158 HB3 PRO 21 HB3 PRO 21 0.796 5.546 14.842 159 HG2 PRO 21 HG2 PRO 21 1.878 3.218 16.469 160 HG3 PRO 21 HG3 PRO 21 0.687 4.460 16.976 161 HD2 PRO 21 HD2 PRO 21 -0.104 2.035 16.066 162 HD3 PRO 21 HD3 PRO 21 -1.014 3.511 15.629 163 H ASN 22 H ASN 22 2.137 1.453 14.529 164 HA ASN 22 HA ASN 22 4.917 1.593 13.636 165 HB2 ASN 22 HB2 ASN 22 3.350 -0.639 14.983 166 HB3 ASN 22 HB3 ASN 22 5.096 -0.603 14.761 167 HD21 ASN 22 HD21 ASN 22 3.184 -0.512 17.223 168 HD22 ASN 22 HD22 ASN 22 3.894 0.791 18.165 169 H ALA 23 H ALA 23 2.497 1.364 11.623 170 HA ALA 23 HA ALA 23 2.824 -1.074 10.183 171 HB1 ALA 23 HB1 ALA 23 1.761 0.184 8.330 172 HB2 ALA 23 HB2 ALA 23 0.910 0.425 9.866 173 HB3 ALA 23 HB3 ALA 23 1.979 1.697 9.232 174 H THR 24 H THR 24 4.094 -1.658 8.460 175 HA THR 24 HA THR 24 6.524 -0.020 7.842 176 HB THR 24 HB THR 24 6.391 -2.957 8.616 177 HG1 THR 24 HG1 THR 24 7.657 -0.729 9.822 178 HG21 THR 24 HG21 THR 24 8.899 -2.847 8.557 179 HG22 THR 24 HG22 THR 24 8.776 -1.287 7.716 180 HG23 THR 24 HG23 THR 24 8.145 -2.773 6.967 181 H VAL 25 H VAL 25 7.248 -0.085 5.779 182 HA VAL 25 HA VAL 25 5.471 -0.648 3.700 183 HB VAL 25 HB VAL 25 8.504 -0.465 3.491 184 HG11 VAL 25 HG11 VAL 25 7.998 0.410 1.201 185 HG12 VAL 25 HG12 VAL 25 7.591 -1.288 1.395 186 HG13 VAL 25 HG13 VAL 25 6.305 -0.065 1.420 187 HG21 VAL 25 HG21 VAL 25 7.674 1.496 4.643 188 HG22 VAL 25 HG22 VAL 25 8.082 1.944 2.989 189 HG23 VAL 25 HG23 VAL 25 6.382 1.715 3.458 190 H GLY 26 H GLY 26 8.295 -2.658 4.657 191 HA2 GLY 26 HA2 GLY 26 7.999 -4.666 2.675 192 HA3 GLY 26 HA3 GLY 26 8.800 -4.869 4.240 193 H ALA 27 H ALA 27 6.504 -4.423 5.927 194 HA ALA 27 HA ALA 27 5.250 -7.016 5.890 195 HB1 ALA 27 HB1 ALA 27 5.684 -5.736 7.961 196 HB2 ALA 27 HB2 ALA 27 4.527 -4.488 7.443 197 HB3 ALA 27 HB3 ALA 27 3.965 -6.133 7.791 198 H VAL 28 H VAL 28 4.040 -3.725 5.040 199 HA VAL 28 HA VAL 28 1.412 -4.529 4.229 200 HB VAL 28 HB VAL 28 3.123 -2.154 3.404 201 HG11 VAL 28 HG11 VAL 28 0.172 -2.661 2.816 202 HG12 VAL 28 HG12 VAL 28 1.002 -1.102 2.623 203 HG13 VAL 28 HG13 VAL 28 1.472 -2.470 1.618 204 HG21 VAL 28 HG21 VAL 28 0.730 -2.393 5.288 205 HG22 VAL 28 HG22 VAL 28 2.421 -2.236 5.799 206 HG23 VAL 28 HG23 VAL 28 1.643 -0.912 4.926 207 H ARG 29 H ARG 29 4.388 -4.107 2.227 208 HA ARG 29 HA ARG 29 3.169 -4.940 -0.222 209 HB2 ARG 29 HB2 ARG 29 5.393 -3.720 0.108 210 HB3 ARG 29 HB3 ARG 29 6.110 -5.292 0.503 211 HG2 ARG 29 HG2 ARG 29 5.297 -6.139 -1.754 212 HG3 ARG 29 HG3 ARG 29 4.690 -4.507 -2.087 213 HD2 ARG 29 HD2 ARG 29 7.091 -3.686 -1.701 214 HD3 ARG 29 HD3 ARG 29 7.576 -5.378 -1.678 215 HE ARG 29 HE ARG 29 6.943 -5.616 -3.986 216 HH11 ARG 29 HH11 ARG 29 6.707 -2.272 -2.966 217 HH12 ARG 29 HH12 ARG 29 6.739 -1.680 -4.604 218 HH21 ARG 29 HH21 ARG 29 6.814 -4.800 -6.058 219 HH22 ARG 29 HH22 ARG 29 6.734 -3.091 -6.293 220 H THR 30 H THR 30 4.999 -6.890 2.179 221 HA THR 30 HA THR 30 4.802 -9.388 0.821 222 HB THR 30 HB THR 30 4.914 -8.827 3.812 223 HG1 THR 30 HG1 THR 30 6.705 -8.087 2.865 224 HG21 THR 30 HG21 THR 30 5.897 -11.118 3.973 225 HG22 THR 30 HG22 THR 30 5.437 -11.411 2.280 226 HG23 THR 30 HG23 THR 30 4.191 -11.142 3.522 227 H LYS 31 H LYS 31 2.534 -7.898 3.185 228 HA LYS 31 HA LYS 31 0.710 -10.106 3.207 229 HB2 LYS 31 HB2 LYS 31 0.996 -8.285 4.907 230 HB3 LYS 31 HB3 LYS 31 0.129 -7.179 3.844 231 HG2 LYS 31 HG2 LYS 31 -1.907 -8.363 4.076 232 HG3 LYS 31 HG3 LYS 31 -1.119 -9.840 4.625 233 HD2 LYS 31 HD2 LYS 31 -1.225 -7.246 6.221 234 HD3 LYS 31 HD3 LYS 31 -2.346 -8.586 6.437 235 HE2 LYS 31 HE2 LYS 31 0.678 -8.756 6.855 236 HE3 LYS 31 HE3 LYS 31 -0.503 -8.509 8.134 237 HZ1 LYS 31 HZ1 LYS 31 -1.472 -10.671 7.601 238 HZ2 LYS 31 HZ2 LYS 31 0.110 -10.843 7.945 239 HZ3 LYS 31 HZ3 LYS 31 -0.395 -10.919 6.400 240 H VAL 32 H VAL 32 0.788 -7.180 1.142 241 HA VAL 32 HA VAL 32 -1.597 -7.869 -0.350 242 HB VAL 32 HB VAL 32 0.768 -6.107 -1.067 243 HG11 VAL 32 HG11 VAL 32 -0.721 -5.234 -2.874 244 HG12 VAL 32 HG12 VAL 32 -0.183 -6.878 -3.186 245 HG13 VAL 32 HG13 VAL 32 -1.836 -6.580 -2.591 246 HG21 VAL 32 HG21 VAL 32 -0.848 -4.292 -0.679 247 HG22 VAL 32 HG22 VAL 32 -2.129 -5.470 -0.322 248 HG23 VAL 32 HG23 VAL 32 -0.742 -5.300 0.767 249 H CYS 33 H CYS 33 1.901 -8.587 -1.040 250 HA CYS 33 HA CYS 33 1.443 -10.074 -3.412 251 HB2 CYS 33 HB2 CYS 33 3.592 -10.301 -1.263 252 HB3 CYS 33 HB3 CYS 33 3.631 -11.200 -2.791 253 HG CYS 33 HG CYS 33 3.646 -9.238 -4.403 254 H ALA 34 H ALA 34 1.371 -11.235 -0.004 255 HA ALA 34 HA ALA 34 0.777 -13.963 -0.638 256 HB1 ALA 34 HB1 ALA 34 0.129 -14.087 1.739 257 HB2 ALA 34 HB2 ALA 34 1.651 -13.198 1.538 258 HB3 ALA 34 HB3 ALA 34 0.140 -12.314 1.851 259 H MET 35 H MET 35 -1.405 -11.175 0.029 260 HA MET 35 HA MET 35 -3.849 -12.647 -0.105 261 HB2 MET 35 HB2 MET 35 -3.515 -10.430 0.982 262 HB3 MET 35 HB3 MET 35 -3.325 -9.691 -0.611 263 HG2 MET 35 HG2 MET 35 -5.537 -9.274 0.161 264 HG3 MET 35 HG3 MET 35 -5.666 -10.417 -1.172 265 HE1 MET 35 HE1 MET 35 -8.628 -11.146 1.436 266 HE2 MET 35 HE2 MET 35 -7.830 -9.575 1.212 267 HE3 MET 35 HE3 MET 35 -8.246 -10.572 -0.203 268 H LYS 36 H LYS 36 -2.090 -10.823 -2.628 269 HA LYS 36 HA LYS 36 -3.935 -11.508 -4.814 270 HB2 LYS 36 HB2 LYS 36 -1.081 -10.430 -4.768 271 HB3 LYS 36 HB3 LYS 36 -2.057 -10.579 -6.218 272 HG2 LYS 36 HG2 LYS 36 -2.783 -8.776 -3.860 273 HG3 LYS 36 HG3 LYS 36 -1.892 -8.285 -5.286 274 HD2 LYS 36 HD2 LYS 36 -3.986 -7.587 -5.887 275 HD3 LYS 36 HD3 LYS 36 -3.929 -9.165 -6.651 276 HE2 LYS 36 HE2 LYS 36 -6.070 -9.039 -5.683 277 HE3 LYS 36 HE3 LYS 36 -5.170 -10.075 -4.582 278 HZ1 LYS 36 HZ1 LYS 36 -6.447 -8.388 -3.392 279 HZ2 LYS 36 HZ2 LYS 36 -5.689 -7.176 -4.171 280 HZ3 LYS 36 HZ3 LYS 36 -4.854 -8.122 -3.132 281 H LYS 37 H LYS 37 -1.231 -13.093 -3.337 282 HA LYS 37 HA LYS 37 -0.048 -14.942 -3.717 283 HB2 LYS 37 HB2 LYS 37 -2.639 -15.709 -4.162 284 HB3 LYS 37 HB3 LYS 37 -1.903 -16.252 -5.651 285 HG2 LYS 37 HG2 LYS 37 -0.969 -16.913 -2.812 286 HG3 LYS 37 HG3 LYS 37 -2.014 -17.939 -3.782 287 HD2 LYS 37 HD2 LYS 37 0.874 -17.247 -4.478 288 HD3 LYS 37 HD3 LYS 37 0.313 -18.739 -3.714 289 HE2 LYS 37 HE2 LYS 37 -1.145 -19.195 -5.698 290 HE3 LYS 37 HE3 LYS 37 -0.489 -17.754 -6.487 291 HZ1 LYS 37 HZ1 LYS 37 1.111 -20.114 -5.655 292 HZ2 LYS 37 HZ2 LYS 37 1.717 -18.780 -6.382 293 HZ3 LYS 37 HZ3 LYS 37 0.686 -19.756 -7.186 294 H LEU 38 H LEU 38 0.518 -12.678 -5.224 295 HA LEU 38 HA LEU 38 1.773 -13.754 -7.714 296 HB2 LEU 38 HB2 LEU 38 0.073 -11.319 -7.290 297 HB3 LEU 38 HB3 LEU 38 1.545 -11.070 -8.196 298 HG LEU 38 HG LEU 38 0.890 -12.919 -9.768 299 HD11 LEU 38 HD11 LEU 38 -1.819 -12.669 -8.398 300 HD12 LEU 38 HD12 LEU 38 -0.777 -14.109 -8.377 301 HD13 LEU 38 HD13 LEU 38 -1.482 -13.561 -9.896 302 HD21 LEU 38 HD21 LEU 38 -1.036 -10.569 -9.514 303 HD22 LEU 38 HD22 LEU 38 -0.762 -11.542 -10.979 304 HD23 LEU 38 HD23 LEU 38 0.542 -10.550 -10.327 305 HA PRO 39 HA PRO 39 5.622 -12.410 -6.044 306 HB2 PRO 39 HB2 PRO 39 7.110 -11.768 -8.272 307 HB3 PRO 39 HB3 PRO 39 6.626 -13.437 -7.846 308 HG2 PRO 39 HG2 PRO 39 5.271 -11.531 -9.771 309 HG3 PRO 39 HG3 PRO 39 5.728 -13.242 -10.049 310 HD2 PRO 39 HD2 PRO 39 3.207 -12.553 -9.326 311 HD3 PRO 39 HD3 PRO 39 3.972 -14.035 -8.684 312 HA PRO 40 HA PRO 40 5.703 -8.068 -5.380 313 HB2 PRO 40 HB2 PRO 40 8.343 -7.433 -4.960 314 HB3 PRO 40 HB3 PRO 40 7.368 -8.422 -3.833 315 HG2 PRO 40 HG2 PRO 40 9.235 -9.397 -6.024 316 HG3 PRO 40 HG3 PRO 40 9.206 -9.894 -4.299 317 HD2 PRO 40 HD2 PRO 40 7.967 -11.369 -6.180 318 HD3 PRO 40 HD3 PRO 40 7.183 -11.108 -4.594 319 H ASP 41 H ASP 41 7.409 -9.156 -8.231 320 HA ASP 41 HA ASP 41 7.990 -6.479 -9.280 321 HB2 ASP 41 HB2 ASP 41 7.992 -9.220 -10.598 322 HB3 ASP 41 HB3 ASP 41 8.543 -7.731 -11.360 323 H THR 42 H THR 42 5.255 -8.729 -9.537 324 HA THR 42 HA THR 42 4.050 -7.246 -11.777 325 HB THR 42 HB THR 42 2.211 -8.940 -11.563 326 HG1 THR 42 HG1 THR 42 2.645 -9.465 -9.346 327 HG21 THR 42 HG21 THR 42 4.064 -9.275 -13.146 328 HG22 THR 42 HG22 THR 42 3.511 -10.808 -12.449 329 HG23 THR 42 HG23 THR 42 5.022 -10.070 -11.875 330 H THR 43 H THR 43 4.326 -6.293 -8.775 331 HA THR 43 HA THR 43 1.723 -4.890 -8.791 332 HB THR 43 HB THR 43 1.395 -6.726 -7.244 333 HG1 THR 43 HG1 THR 43 1.746 -4.378 -5.726 334 HG21 THR 43 HG21 THR 43 2.568 -6.838 -5.090 335 HG22 THR 43 HG22 THR 43 3.701 -5.572 -5.610 336 HG23 THR 43 HG23 THR 43 3.678 -7.145 -6.434 337 H ARG 44 H ARG 44 1.769 -2.828 -8.066 338 HA ARG 44 HA ARG 44 4.336 -1.599 -7.136 339 HB2 ARG 44 HB2 ARG 44 2.607 -0.833 -9.511 340 HB3 ARG 44 HB3 ARG 44 3.589 0.382 -8.706 341 HG2 ARG 44 HG2 ARG 44 4.800 -2.207 -9.756 342 HG3 ARG 44 HG3 ARG 44 4.567 -0.792 -10.781 343 HD2 ARG 44 HD2 ARG 44 5.995 0.579 -9.347 344 HD3 ARG 44 HD3 ARG 44 6.117 -0.712 -8.162 345 HE ARG 44 HE ARG 44 7.755 -1.738 -9.392 346 HH11 ARG 44 HH11 ARG 44 6.267 0.572 -11.577 347 HH12 ARG 44 HH12 ARG 44 7.500 0.342 -12.785 348 HH21 ARG 44 HH21 ARG 44 9.298 -1.942 -10.953 349 HH22 ARG 44 HH22 ARG 44 9.170 -1.038 -12.432 350 H LEU 45 H LEU 45 4.125 0.258 -5.898 351 HA LEU 45 HA LEU 45 1.453 0.789 -4.687 352 HB2 LEU 45 HB2 LEU 45 2.471 -1.062 -3.466 353 HB3 LEU 45 HB3 LEU 45 3.980 -0.182 -3.305 354 HG LEU 45 HG LEU 45 2.947 1.442 -1.801 355 HD11 LEU 45 HD11 LEU 45 0.401 -0.212 -2.096 356 HD12 LEU 45 HD12 LEU 45 0.616 1.477 -2.607 357 HD13 LEU 45 HD13 LEU 45 0.674 1.061 -0.892 358 HD21 LEU 45 HD21 LEU 45 2.353 -1.445 -1.030 359 HD22 LEU 45 HD22 LEU 45 2.546 -0.086 0.097 360 HD23 LEU 45 HD23 LEU 45 3.922 -0.623 -0.879 361 H THR 46 H THR 46 1.114 2.900 -4.542 362 HA THR 46 HA THR 46 3.427 4.812 -4.461 363 HB THR 46 HB THR 46 0.978 4.983 -6.253 364 HG1 THR 46 HG1 THR 46 2.428 3.455 -6.985 365 HG21 THR 46 HG21 THR 46 2.228 6.820 -7.372 366 HG22 THR 46 HG22 THR 46 3.457 6.758 -6.093 367 HG23 THR 46 HG23 THR 46 1.783 7.243 -5.718 368 H TYR 47 H TYR 47 3.231 6.636 -3.343 369 HA TYR 47 HA TYR 47 0.644 7.547 -2.192 370 HB2 TYR 47 HB2 TYR 47 1.592 6.138 -0.451 371 HB3 TYR 47 HB3 TYR 47 3.183 6.841 -0.704 372 HD1 TYR 47 HD1 TYR 47 -0.263 8.227 0.058 373 HD2 TYR 47 HD2 TYR 47 3.945 8.162 1.014 374 HE1 TYR 47 HE1 TYR 47 -0.630 9.961 1.805 375 HE2 TYR 47 HE2 TYR 47 3.569 9.886 2.771 376 HH TYR 47 HH TYR 47 0.311 10.976 3.666 377 H LYS 48 H LYS 48 0.476 9.726 -2.284 378 HA LYS 48 HA LYS 48 0.930 11.888 -2.887 379 HB2 LYS 48 HB2 LYS 48 1.812 11.431 -0.472 380 HB3 LYS 48 HB3 LYS 48 3.415 11.624 -1.180 381 HG2 LYS 48 HG2 LYS 48 2.562 13.918 -2.065 382 HG3 LYS 48 HG3 LYS 48 1.108 13.627 -1.112 383 HD2 LYS 48 HD2 LYS 48 2.526 15.040 0.180 384 HD3 LYS 48 HD3 LYS 48 2.575 13.444 0.948 385 HE2 LYS 48 HE2 LYS 48 4.741 12.969 -0.172 386 HE3 LYS 48 HE3 LYS 48 4.656 14.519 -1.020 387 HZ1 LYS 48 HZ1 LYS 48 4.770 15.633 1.145 388 HZ2 LYS 48 HZ2 LYS 48 6.069 14.669 0.946 389 HZ3 LYS 48 HZ3 LYS 48 4.853 14.201 1.929 390 H GLY 49 H GLY 49 1.796 10.237 -4.938 391 HA2 GLY 49 HA2 GLY 49 2.898 10.416 -6.953 392 HA3 GLY 49 HA3 GLY 49 3.589 11.946 -6.421 393 H ARG 50 H ARG 50 4.261 9.202 -4.386 394 HA ARG 50 HA ARG 50 6.965 8.720 -5.569 395 HB2 ARG 50 HB2 ARG 50 6.190 9.897 -2.916 396 HB3 ARG 50 HB3 ARG 50 7.461 8.696 -2.865 397 HG2 ARG 50 HG2 ARG 50 9.009 10.013 -3.808 398 HG3 ARG 50 HG3 ARG 50 7.916 10.677 -5.021 399 HD2 ARG 50 HD2 ARG 50 7.797 11.519 -2.103 400 HD3 ARG 50 HD3 ARG 50 8.848 12.308 -3.271 401 HE ARG 50 HE ARG 50 5.861 12.343 -3.255 402 HH11 ARG 50 HH11 ARG 50 8.754 13.433 -4.926 403 HH12 ARG 50 HH12 ARG 50 7.854 14.551 -5.911 404 HH21 ARG 50 HH21 ARG 50 4.810 13.708 -4.526 405 HH22 ARG 50 HH22 ARG 50 5.656 14.742 -5.665 406 H ALA 51 H ALA 51 8.001 6.847 -4.983 407 HA ALA 51 HA ALA 51 6.340 4.556 -4.125 408 HB1 ALA 51 HB1 ALA 51 8.383 3.259 -4.607 409 HB2 ALA 51 HB2 ALA 51 7.918 4.263 -5.995 410 HB3 ALA 51 HB3 ALA 51 9.271 4.758 -4.951 411 H LEU 52 H LEU 52 6.278 3.856 -2.074 412 HA LEU 52 HA LEU 52 8.087 4.958 0.002 413 HB2 LEU 52 HB2 LEU 52 6.681 3.478 1.518 414 HB3 LEU 52 HB3 LEU 52 5.983 4.951 0.900 415 HG LEU 52 HG LEU 52 5.385 2.386 -0.595 416 HD11 LEU 52 HD11 LEU 52 4.073 3.260 2.019 417 HD12 LEU 52 HD12 LEU 52 4.958 1.749 1.722 418 HD13 LEU 52 HD13 LEU 52 3.421 2.035 0.910 419 HD21 LEU 52 HD21 LEU 52 3.215 3.515 -0.946 420 HD22 LEU 52 HD22 LEU 52 4.503 4.633 -1.399 421 HD23 LEU 52 HD23 LEU 52 3.687 4.805 0.166 422 H LYS 53 H LYS 53 9.814 3.938 0.747 423 HA LYS 53 HA LYS 53 10.101 1.053 0.825 424 HB2 LYS 53 HB2 LYS 53 10.821 1.986 -1.620 425 HB3 LYS 53 HB3 LYS 53 12.289 2.400 -0.763 426 HG2 LYS 53 HG2 LYS 53 12.751 0.259 -1.591 427 HG3 LYS 53 HG3 LYS 53 12.302 -0.062 0.073 428 HD2 LYS 53 HD2 LYS 53 11.188 -1.722 -1.234 429 HD3 LYS 53 HD3 LYS 53 9.941 -0.585 -0.744 430 HE2 LYS 53 HE2 LYS 53 9.532 -1.107 -3.032 431 HE3 LYS 53 HE3 LYS 53 10.141 0.545 -2.993 432 HZ1 LYS 53 HZ1 LYS 53 11.753 -1.866 -3.671 433 HZ2 LYS 53 HZ2 LYS 53 12.337 -0.341 -3.644 434 HZ3 LYS 53 HZ3 LYS 53 11.213 -0.764 -4.743 435 H ASP 54 H ASP 54 11.596 0.409 2.307 436 HA ASP 54 HA ASP 54 12.968 0.468 4.083 437 HB2 ASP 54 HB2 ASP 54 14.427 0.792 2.041 438 HB3 ASP 54 HB3 ASP 54 14.552 2.495 2.477 439 H THR 55 H THR 55 10.776 2.465 4.313 440 HA THR 55 HA THR 55 11.883 4.757 5.754 441 HB THR 55 HB THR 55 9.611 5.505 5.980 442 HG1 THR 55 HG1 THR 55 8.473 3.714 6.484 443 HG21 THR 55 HG21 THR 55 9.813 4.152 3.252 444 HG22 THR 55 HG22 THR 55 10.612 5.685 3.679 445 HG23 THR 55 HG23 THR 55 8.843 5.556 3.670 446 H GLU 56 H GLU 56 11.027 1.613 6.637 447 HA GLU 56 HA GLU 56 10.718 0.411 8.466 448 HB2 GLU 56 HB2 GLU 56 12.788 1.948 9.188 449 HB3 GLU 56 HB3 GLU 56 11.629 2.507 10.390 450 HG2 GLU 56 HG2 GLU 56 12.746 0.726 11.439 451 HG3 GLU 56 HG3 GLU 56 11.217 0.012 10.934 452 H THR 57 H THR 57 9.652 3.711 9.414 453 HA THR 57 HA THR 57 6.901 2.745 9.842 454 HB THR 57 HB THR 57 6.756 3.967 12.048 455 HG1 THR 57 HG1 THR 57 8.886 4.962 11.836 456 HG21 THR 57 HG21 THR 57 7.450 2.128 13.416 457 HG22 THR 57 HG22 THR 57 8.550 1.521 12.161 458 HG23 THR 57 HG23 THR 57 6.791 1.476 11.902 459 H LEU 58 H LEU 58 5.325 4.362 9.707 460 HA LEU 58 HA LEU 58 5.964 6.612 8.075 461 HB2 LEU 58 HB2 LEU 58 3.492 5.821 9.666 462 HB3 LEU 58 HB3 LEU 58 3.560 7.309 8.748 463 HG LEU 58 HG LEU 58 2.366 5.622 7.534 464 HD11 LEU 58 HD11 LEU 58 5.006 6.148 6.118 465 HD12 LEU 58 HD12 LEU 58 3.686 7.331 6.289 466 HD13 LEU 58 HD13 LEU 58 3.425 5.833 5.384 467 HD21 LEU 58 HD21 LEU 58 3.540 3.587 8.357 468 HD22 LEU 58 HD22 LEU 58 4.922 3.990 7.306 469 HD23 LEU 58 HD23 LEU 58 3.338 3.633 6.599 470 H GLU 59 H GLU 59 5.876 6.389 11.594 471 HA GLU 59 HA GLU 59 5.659 9.171 12.181 472 HB2 GLU 59 HB2 GLU 59 5.361 7.279 13.743 473 HB3 GLU 59 HB3 GLU 59 7.093 6.997 13.762 474 HG2 GLU 59 HG2 GLU 59 5.821 9.677 14.510 475 HG3 GLU 59 HG3 GLU 59 5.953 8.362 15.666 476 H SER 60 H SER 60 8.447 7.335 11.018 477 HA SER 60 HA SER 60 10.446 9.355 11.557 478 HB2 SER 60 HB2 SER 60 10.388 7.183 9.424 479 HB3 SER 60 HB3 SER 60 11.812 8.091 9.955 480 HG SER 60 HG SER 60 11.627 7.155 11.999 481 H LEU 61 H LEU 61 7.990 9.038 9.083 482 HA LEU 61 HA LEU 61 9.152 11.204 7.396 483 HB2 LEU 61 HB2 LEU 61 6.544 9.703 7.015 484 HB3 LEU 61 HB3 LEU 61 7.410 10.678 5.838 485 HG LEU 61 HG LEU 61 8.249 7.949 6.917 486 HD11 LEU 61 HD11 LEU 61 7.774 7.192 4.667 487 HD12 LEU 61 HD12 LEU 61 7.400 8.845 4.132 488 HD13 LEU 61 HD13 LEU 61 6.349 8.018 5.301 489 HD21 LEU 61 HD21 LEU 61 10.279 9.271 6.445 490 HD22 LEU 61 HD22 LEU 61 9.635 9.721 4.850 491 HD23 LEU 61 HD23 LEU 61 10.049 8.029 5.209 492 H GLY 62 H GLY 62 6.775 10.650 9.844 493 HA2 GLY 62 HA2 GLY 62 5.604 12.362 11.087 494 HA3 GLY 62 HA3 GLY 62 5.593 13.392 9.657 495 H VAL 63 H VAL 63 3.758 11.323 11.492 496 HA VAL 63 HA VAL 63 2.091 10.049 9.469 497 HB VAL 63 HB VAL 63 1.794 10.422 12.468 498 HG11 VAL 63 HG11 VAL 63 -0.494 10.239 11.628 499 HG12 VAL 63 HG12 VAL 63 -0.042 8.848 10.608 500 HG13 VAL 63 HG13 VAL 63 -0.020 8.720 12.379 501 HG21 VAL 63 HG21 VAL 63 2.307 7.934 10.778 502 HG22 VAL 63 HG22 VAL 63 3.548 8.833 11.669 503 HG23 VAL 63 HG23 VAL 63 2.255 8.020 12.551 504 H ALA 64 H ALA 64 0.124 10.619 8.700 505 HA ALA 64 HA ALA 64 -1.327 12.934 9.799 506 HB1 ALA 64 HB1 ALA 64 -1.804 13.820 7.547 507 HB2 ALA 64 HB2 ALA 64 -0.065 13.871 7.898 508 HB3 ALA 64 HB3 ALA 64 -0.720 12.609 6.829 509 H ASP 65 H ASP 65 -3.597 12.742 9.596 510 HA ASP 65 HA ASP 65 -4.514 9.983 9.298 511 HB2 ASP 65 HB2 ASP 65 -5.280 11.640 11.090 512 HB3 ASP 65 HB3 ASP 65 -6.239 12.427 9.830 513 H GLY 66 H GLY 66 -6.072 9.172 7.833 514 HA2 GLY 66 HA2 GLY 66 -7.337 9.045 5.922 515 HA3 GLY 66 HA3 GLY 66 -7.292 10.803 5.778 516 H ASP 67 H ASP 67 -4.240 9.052 5.872 517 HA ASP 67 HA ASP 67 -3.377 9.805 3.228 518 HB2 ASP 67 HB2 ASP 67 -2.437 7.645 5.153 519 HB3 ASP 67 HB3 ASP 67 -1.707 7.900 3.575 520 H LYS 68 H LYS 68 -3.450 8.779 1.276 521 HA LYS 68 HA LYS 68 -4.869 6.171 1.134 522 HB2 LYS 68 HB2 LYS 68 -6.014 6.765 -0.862 523 HB3 LYS 68 HB3 LYS 68 -6.401 7.916 0.417 524 HG2 LYS 68 HG2 LYS 68 -4.835 9.568 -0.587 525 HG3 LYS 68 HG3 LYS 68 -4.447 8.409 -1.877 526 HD2 LYS 68 HD2 LYS 68 -6.829 8.386 -2.575 527 HD3 LYS 68 HD3 LYS 68 -7.207 9.573 -1.305 528 HE2 LYS 68 HE2 LYS 68 -5.628 11.183 -2.334 529 HE3 LYS 68 HE3 LYS 68 -5.217 9.999 -3.582 530 HZ1 LYS 68 HZ1 LYS 68 -7.537 10.078 -4.329 531 HZ2 LYS 68 HZ2 LYS 68 -6.889 11.574 -4.373 532 HZ3 LYS 68 HZ3 LYS 68 -7.920 11.172 -3.174 533 H PHE 69 H PHE 69 -4.116 4.626 -0.081 534 HA PHE 69 HA PHE 69 -1.479 5.041 -1.449 535 HB2 PHE 69 HB2 PHE 69 -2.436 2.541 -0.035 536 HB3 PHE 69 HB3 PHE 69 -0.830 2.874 -0.666 537 HD1 PHE 69 HD1 PHE 69 -0.384 5.668 0.491 538 HD2 PHE 69 HD2 PHE 69 -2.013 2.074 2.228 539 HE1 PHE 69 HE1 PHE 69 0.330 6.432 2.736 540 HE2 PHE 69 HE2 PHE 69 -1.312 2.850 4.478 541 HZ PHE 69 HZ PHE 69 -0.137 5.029 4.737 542 H VAL 70 H VAL 70 -1.480 4.614 -3.558 543 HA VAL 70 HA VAL 70 -3.756 3.100 -4.764 544 HB VAL 70 HB VAL 70 -1.609 4.758 -6.127 545 HG11 VAL 70 HG11 VAL 70 -4.148 3.446 -7.210 546 HG12 VAL 70 HG12 VAL 70 -3.089 4.551 -8.114 547 HG13 VAL 70 HG13 VAL 70 -2.481 2.976 -7.605 548 HG21 VAL 70 HG21 VAL 70 -3.470 6.346 -6.569 549 HG22 VAL 70 HG22 VAL 70 -4.551 5.358 -5.563 550 HG23 VAL 70 HG23 VAL 70 -3.156 6.189 -4.840 551 H LEU 71 H LEU 71 -3.536 1.097 -5.520 552 HA LEU 71 HA LEU 71 -0.792 -0.054 -5.733 553 HB2 LEU 71 HB2 LEU 71 -1.991 -0.840 -3.714 554 HB3 LEU 71 HB3 LEU 71 -3.266 -1.469 -4.732 555 HG LEU 71 HG LEU 71 -0.922 -2.574 -5.879 556 HD11 LEU 71 HD11 LEU 71 0.336 -1.783 -3.910 557 HD12 LEU 71 HD12 LEU 71 0.305 -3.545 -4.021 558 HD13 LEU 71 HD13 LEU 71 -0.743 -2.714 -2.845 559 HD21 LEU 71 HD21 LEU 71 -2.775 -3.835 -3.828 560 HD22 LEU 71 HD22 LEU 71 -1.722 -4.685 -4.990 561 HD23 LEU 71 HD23 LEU 71 -3.080 -3.718 -5.579 562 H ILE 72 H ILE 72 -0.266 -0.796 -7.638 563 HA ILE 72 HA ILE 72 -2.364 -1.073 -9.755 564 HB ILE 72 HB ILE 72 0.535 -0.239 -10.107 565 HG12 ILE 72 HG12 ILE 72 -0.829 1.978 -10.841 566 HG13 ILE 72 HG13 ILE 72 -1.938 1.412 -9.602 567 HG21 ILE 72 HG21 ILE 72 -1.816 -0.235 -12.042 568 HG22 ILE 72 HG22 ILE 72 -0.188 0.391 -12.376 569 HG23 ILE 72 HG23 ILE 72 -0.413 -1.330 -12.091 570 HD11 ILE 72 HD11 ILE 72 -0.249 3.042 -8.758 571 HD12 ILE 72 HD12 ILE 72 -0.055 1.484 -7.941 572 HD13 ILE 72 HD13 ILE 72 1.060 1.950 -9.244 573 H THR 73 H THR 73 -2.528 -2.953 -10.811 574 HA THR 73 HA THR 73 -0.562 -5.126 -10.286 575 HB THR 73 HB THR 73 -2.947 -5.580 -9.799 576 HG1 THR 73 HG1 THR 73 -1.667 -7.292 -10.248 577 HG21 THR 73 HG21 THR 73 -4.519 -6.023 -11.622 578 HG22 THR 73 HG22 THR 73 -3.353 -5.462 -12.825 579 HG23 THR 73 HG23 THR 73 -4.038 -4.322 -11.645 580 H ARG 74 H ARG 74 0.474 -6.243 -11.926 581 HA ARG 74 HA ARG 74 0.709 -4.912 -14.566 582 HB2 ARG 74 HB2 ARG 74 2.655 -5.907 -13.098 583 HB3 ARG 74 HB3 ARG 74 2.109 -7.462 -13.707 584 HG2 ARG 74 HG2 ARG 74 3.621 -7.039 -15.348 585 HG3 ARG 74 HG3 ARG 74 2.316 -6.111 -16.082 586 HD2 ARG 74 HD2 ARG 74 4.568 -5.058 -14.311 587 HD3 ARG 74 HD3 ARG 74 4.455 -4.860 -16.051 588 HE ARG 74 HE ARG 74 2.883 -3.455 -13.955 589 HH11 ARG 74 HH11 ARG 74 3.453 -3.761 -17.402 590 HH12 ARG 74 HH12 ARG 74 2.709 -2.223 -17.745 591 HH21 ARG 74 HH21 ARG 74 1.916 -1.533 -14.474 592 HH22 ARG 74 HH22 ARG 74 1.850 -1.011 -16.130 593 H THR 75 H THR 75 -0.315 -5.578 -16.354 594 HA THR 75 HA THR 75 -1.647 -8.276 -16.415 595 HB THR 75 HB THR 75 -2.845 -5.662 -17.377 596 HG1 THR 75 HG1 THR 75 -4.274 -5.997 -15.689 597 HG21 THR 75 HG21 THR 75 -3.640 -7.525 -18.766 598 HG22 THR 75 HG22 THR 75 -4.919 -7.026 -17.658 599 HG23 THR 75 HG23 THR 75 -3.978 -8.495 -17.315 600 H VAL 76 H VAL 76 -0.615 -5.559 -18.565 601 HA VAL 76 HA VAL 76 -0.509 -7.282 -20.916 602 HB VAL 76 HB VAL 76 0.578 -4.477 -20.474 603 HG11 VAL 76 HG11 VAL 76 0.181 -6.073 -23.046 604 HG12 VAL 76 HG12 VAL 76 0.593 -4.347 -22.960 605 HG13 VAL 76 HG13 VAL 76 1.740 -5.548 -22.366 606 HG21 VAL 76 HG21 VAL 76 -1.417 -3.791 -21.790 607 HG22 VAL 76 HG22 VAL 76 -1.979 -5.475 -21.812 608 HG23 VAL 76 HG23 VAL 76 -1.887 -4.577 -20.282 609 H GLY 77 H GLY 77 1.105 -8.523 -21.595 610 HA2 GLY 77 HA2 GLY 77 3.619 -8.694 -21.966 611 HA3 GLY 77 HA3 GLY 77 3.776 -8.482 -20.224 Start of MODEL 5 1 HA MET 1 HA MET 1 -5.688 7.637 12.483 2 HB2 MET 1 HB2 MET 1 -2.999 6.268 11.994 3 HB3 MET 1 HB3 MET 1 -3.658 7.578 11.022 4 HG2 MET 1 HG2 MET 1 -2.143 8.601 12.496 5 HG3 MET 1 HG3 MET 1 -3.750 9.030 13.047 6 HE1 MET 1 HE1 MET 1 -1.528 5.701 13.697 7 HE2 MET 1 HE2 MET 1 -0.425 7.098 13.755 8 HE3 MET 1 HE3 MET 1 -0.793 6.188 15.236 9 H LYS 2 H LYS 2 -6.188 7.545 10.206 10 HA LYS 2 HA LYS 2 -6.635 4.795 9.109 11 HB2 LYS 2 HB2 LYS 2 -8.429 7.219 8.759 12 HB3 LYS 2 HB3 LYS 2 -8.636 5.660 7.968 13 HG2 LYS 2 HG2 LYS 2 -9.015 4.578 10.172 14 HG3 LYS 2 HG3 LYS 2 -8.840 6.161 10.967 15 HD2 LYS 2 HD2 LYS 2 -10.731 7.037 9.590 16 HD3 LYS 2 HD3 LYS 2 -10.933 5.427 8.870 17 HE2 LYS 2 HE2 LYS 2 -11.405 4.478 11.108 18 HE3 LYS 2 HE3 LYS 2 -11.168 6.070 11.843 19 HZ1 LYS 2 HZ1 LYS 2 -13.049 6.888 10.528 20 HZ2 LYS 2 HZ2 LYS 2 -13.527 5.622 11.442 21 HZ3 LYS 2 HZ3 LYS 2 -13.270 5.425 9.842 22 H ILE 3 H ILE 3 -6.414 4.455 7.005 23 HA ILE 3 HA ILE 3 -5.386 6.596 5.229 24 HB ILE 3 HB ILE 3 -3.800 5.067 4.189 25 HG12 ILE 3 HG12 ILE 3 -3.053 3.033 5.616 26 HG13 ILE 3 HG13 ILE 3 -4.673 3.049 6.293 27 HG21 ILE 3 HG21 ILE 3 -3.318 5.353 7.174 28 HG22 ILE 3 HG22 ILE 3 -2.091 5.160 5.912 29 HG23 ILE 3 HG23 ILE 3 -3.092 6.618 5.953 30 HD11 ILE 3 HD11 ILE 3 -4.317 1.454 4.381 31 HD12 ILE 3 HD12 ILE 3 -5.619 2.598 4.058 32 HD13 ILE 3 HD13 ILE 3 -4.024 2.834 3.307 33 H LYS 4 H LYS 4 -5.622 6.003 2.910 34 HA LYS 4 HA LYS 4 -8.025 4.273 2.444 35 HB2 LYS 4 HB2 LYS 4 -8.251 6.885 2.581 36 HB3 LYS 4 HB3 LYS 4 -7.647 6.858 0.928 37 HG2 LYS 4 HG2 LYS 4 -9.546 5.575 0.170 38 HG3 LYS 4 HG3 LYS 4 -9.985 5.131 1.830 39 HD2 LYS 4 HD2 LYS 4 -10.391 7.555 2.340 40 HD3 LYS 4 HD3 LYS 4 -10.192 7.919 0.617 41 HE2 LYS 4 HE2 LYS 4 -12.183 6.806 0.032 42 HE3 LYS 4 HE3 LYS 4 -12.135 5.761 1.454 43 HZ1 LYS 4 HZ1 LYS 4 -13.840 7.476 1.689 44 HZ2 LYS 4 HZ2 LYS 4 -12.726 8.665 1.565 45 HZ3 LYS 4 HZ3 LYS 4 -12.699 7.643 2.851 46 H ILE 5 H ILE 5 -7.304 2.547 1.431 47 HA ILE 5 HA ILE 5 -5.084 2.780 -0.510 48 HB ILE 5 HB ILE 5 -4.946 1.096 1.248 49 HG12 ILE 5 HG12 ILE 5 -5.104 -0.210 -1.501 50 HG13 ILE 5 HG13 ILE 5 -3.837 0.926 -1.029 51 HG21 ILE 5 HG21 ILE 5 -7.350 0.448 1.413 52 HG22 ILE 5 HG22 ILE 5 -7.232 -0.358 -0.165 53 HG23 ILE 5 HG23 ILE 5 -6.295 -0.945 1.223 54 HD11 ILE 5 HD11 ILE 5 -4.380 -1.768 0.279 55 HD12 ILE 5 HD12 ILE 5 -3.016 -1.323 -0.755 56 HD13 ILE 5 HD13 ILE 5 -3.181 -0.577 0.845 57 H VAL 6 H VAL 6 -5.214 2.383 -2.639 58 HA VAL 6 HA VAL 6 -7.898 1.897 -3.877 59 HB VAL 6 HB VAL 6 -5.790 3.779 -4.971 60 HG11 VAL 6 HG11 VAL 6 -7.676 4.576 -6.340 61 HG12 VAL 6 HG12 VAL 6 -7.427 2.847 -6.599 62 HG13 VAL 6 HG13 VAL 6 -8.762 3.402 -5.566 63 HG21 VAL 6 HG21 VAL 6 -6.479 4.806 -2.908 64 HG22 VAL 6 HG22 VAL 6 -7.324 5.617 -4.228 65 HG23 VAL 6 HG23 VAL 6 -8.182 4.424 -3.223 66 HA PRO 7 HA PRO 7 -4.962 -1.241 -5.562 67 HB2 PRO 7 HB2 PRO 7 -6.574 -3.433 -5.431 68 HB3 PRO 7 HB3 PRO 7 -5.682 -2.805 -4.011 69 HG2 PRO 7 HG2 PRO 7 -8.579 -2.295 -4.763 70 HG3 PRO 7 HG3 PRO 7 -7.920 -2.788 -3.172 71 HD2 PRO 7 HD2 PRO 7 -8.489 -0.186 -3.795 72 HD3 PRO 7 HD3 PRO 7 -7.121 -0.624 -2.731 73 H ALA 8 H ALA 8 -4.793 -1.757 -7.691 74 HA ALA 8 HA ALA 8 -6.841 -0.988 -9.601 75 HB1 ALA 8 HB1 ALA 8 -4.427 -0.616 -9.954 76 HB2 ALA 8 HB2 ALA 8 -4.156 -2.374 -9.973 77 HB3 ALA 8 HB3 ALA 8 -5.126 -1.605 -11.248 78 H VAL 9 H VAL 9 -7.563 -3.227 -7.770 79 HA VAL 9 HA VAL 9 -8.619 -5.214 -9.624 80 HB VAL 9 HB VAL 9 -6.304 -5.998 -9.299 81 HG11 VAL 9 HG11 VAL 9 -5.530 -6.874 -7.141 82 HG12 VAL 9 HG12 VAL 9 -5.810 -5.133 -7.054 83 HG13 VAL 9 HG13 VAL 9 -6.987 -6.260 -6.340 84 HG21 VAL 9 HG21 VAL 9 -8.182 -7.893 -7.854 85 HG22 VAL 9 HG22 VAL 9 -8.151 -7.648 -9.623 86 HG23 VAL 9 HG23 VAL 9 -6.728 -8.276 -8.783 87 H GLY 10 H GLY 10 -10.105 -6.749 -8.445 88 HA2 GLY 10 HA2 GLY 10 -11.688 -7.267 -6.847 89 HA3 GLY 10 HA3 GLY 10 -10.799 -6.292 -5.674 90 H GLY 11 H GLY 11 -12.185 -5.160 -8.744 91 HA2 GLY 11 HA2 GLY 11 -14.192 -3.961 -9.128 92 HA3 GLY 11 HA3 GLY 11 -14.379 -3.672 -7.402 93 H GLY 12 H GLY 12 -11.256 -2.872 -7.732 94 HA2 GLY 12 HA2 GLY 12 -9.972 -1.064 -8.299 95 HA3 GLY 12 HA3 GLY 12 -11.222 -0.571 -9.430 96 H SER 13 H SER 13 -12.692 -0.673 -6.430 97 HA SER 13 HA SER 13 -12.829 2.238 -6.299 98 HB2 SER 13 HB2 SER 13 -14.128 0.056 -4.623 99 HB3 SER 13 HB3 SER 13 -14.443 1.787 -4.432 100 HG SER 13 HG SER 13 -14.890 0.226 -6.784 101 HA PRO 14 HA PRO 14 -9.992 2.893 -2.849 102 HB2 PRO 14 HB2 PRO 14 -11.152 5.031 -1.578 103 HB3 PRO 14 HB3 PRO 14 -10.300 5.182 -3.144 104 HG2 PRO 14 HG2 PRO 14 -13.281 4.882 -2.683 105 HG3 PRO 14 HG3 PRO 14 -12.430 6.081 -3.711 106 HD2 PRO 14 HD2 PRO 14 -13.482 3.826 -4.767 107 HD3 PRO 14 HD3 PRO 14 -11.909 4.449 -5.345 108 H LEU 15 H LEU 15 -9.819 2.193 -0.752 109 HA LEU 15 HA LEU 15 -12.274 1.590 0.848 110 HB2 LEU 15 HB2 LEU 15 -9.841 -0.178 0.409 111 HB3 LEU 15 HB3 LEU 15 -11.045 -0.458 1.661 112 HG LEU 15 HG LEU 15 -11.661 -0.446 -1.332 113 HD11 LEU 15 HD11 LEU 15 -11.797 -2.889 -1.102 114 HD12 LEU 15 HD12 LEU 15 -11.284 -2.773 0.596 115 HD13 LEU 15 HD13 LEU 15 -10.173 -2.304 -0.711 116 HD21 LEU 15 HD21 LEU 15 -13.763 -1.571 -0.621 117 HD22 LEU 15 HD22 LEU 15 -13.656 0.064 0.029 118 HD23 LEU 15 HD23 LEU 15 -13.316 -1.327 1.083 119 H GLU 16 H GLU 16 -12.268 2.562 2.718 120 HA GLU 16 HA GLU 16 -9.806 3.792 3.803 121 HB2 GLU 16 HB2 GLU 16 -11.925 5.051 3.484 122 HB3 GLU 16 HB3 GLU 16 -12.696 4.043 4.710 123 HG2 GLU 16 HG2 GLU 16 -11.163 4.864 6.423 124 HG3 GLU 16 HG3 GLU 16 -10.207 5.730 5.212 125 H LEU 17 H LEU 17 -8.735 3.090 5.577 126 HA LEU 17 HA LEU 17 -9.904 1.046 7.372 127 HB2 LEU 17 HB2 LEU 17 -8.126 0.463 5.133 128 HB3 LEU 17 HB3 LEU 17 -7.271 0.130 6.624 129 HG LEU 17 HG LEU 17 -10.034 -0.989 5.967 130 HD11 LEU 17 HD11 LEU 17 -7.286 -2.292 5.744 131 HD12 LEU 17 HD12 LEU 17 -8.338 -1.826 4.388 132 HD13 LEU 17 HD13 LEU 17 -8.851 -3.101 5.503 133 HD21 LEU 17 HD21 LEU 17 -7.991 -1.700 8.127 134 HD22 LEU 17 HD22 LEU 17 -9.475 -2.614 7.781 135 HD23 LEU 17 HD23 LEU 17 -9.587 -0.964 8.389 136 H GLU 18 H GLU 18 -8.980 0.937 9.375 137 HA GLU 18 HA GLU 18 -7.160 3.038 10.246 138 HB2 GLU 18 HB2 GLU 18 -7.324 2.034 12.429 139 HB3 GLU 18 HB3 GLU 18 -8.919 2.256 11.711 140 HG2 GLU 18 HG2 GLU 18 -9.008 -0.162 11.144 141 HG3 GLU 18 HG3 GLU 18 -7.389 -0.384 11.816 142 H VAL 19 H VAL 19 -5.044 2.790 11.053 143 HA VAL 19 HA VAL 19 -3.620 0.249 10.583 144 HB VAL 19 HB VAL 19 -3.496 1.433 8.430 145 HG11 VAL 19 HG11 VAL 19 -3.509 3.787 9.204 146 HG12 VAL 19 HG12 VAL 19 -1.879 3.570 9.886 147 HG13 VAL 19 HG13 VAL 19 -2.138 3.432 8.139 148 HG21 VAL 19 HG21 VAL 19 -1.122 1.189 8.070 149 HG22 VAL 19 HG22 VAL 19 -0.785 1.312 9.804 150 HG23 VAL 19 HG23 VAL 19 -1.675 -0.090 9.160 151 H ALA 20 H ALA 20 -1.894 -0.103 11.885 152 HA ALA 20 HA ALA 20 -1.630 1.559 14.246 153 HB1 ALA 20 HB1 ALA 20 -0.110 -0.926 13.335 154 HB2 ALA 20 HB2 ALA 20 -0.058 -0.215 14.962 155 HB3 ALA 20 HB3 ALA 20 -1.573 -0.903 14.349 156 HA PRO 21 HA PRO 21 1.782 4.049 12.794 157 HB2 PRO 21 HB2 PRO 21 2.990 4.804 15.131 158 HB3 PRO 21 HB3 PRO 21 1.399 5.398 14.611 159 HG2 PRO 21 HG2 PRO 21 1.999 3.109 16.516 160 HG3 PRO 21 HG3 PRO 21 0.881 4.491 16.768 161 HD2 PRO 21 HD2 PRO 21 -0.015 2.083 15.894 162 HD3 PRO 21 HD3 PRO 21 -0.704 3.605 15.252 163 H ASN 22 H ASN 22 2.383 1.145 14.682 164 HA ASN 22 HA ASN 22 5.247 1.020 14.156 165 HB2 ASN 22 HB2 ASN 22 3.258 -1.088 15.099 166 HB3 ASN 22 HB3 ASN 22 5.009 -1.281 15.088 167 HD21 ASN 22 HD21 ASN 22 2.727 -0.936 17.276 168 HD22 ASN 22 HD22 ASN 22 3.526 0.161 18.393 169 H ALA 23 H ALA 23 2.638 0.582 12.015 170 HA ALA 23 HA ALA 23 3.566 -1.678 10.506 171 HB1 ALA 23 HB1 ALA 23 1.829 0.676 9.660 172 HB2 ALA 23 HB2 ALA 23 1.967 -0.881 8.821 173 HB3 ALA 23 HB3 ALA 23 1.247 -0.813 10.441 174 H THR 24 H THR 24 4.423 -1.668 8.335 175 HA THR 24 HA THR 24 6.134 0.647 7.603 176 HB THR 24 HB THR 24 8.080 -0.430 7.497 177 HG1 THR 24 HG1 THR 24 8.332 -2.632 7.079 178 HG21 THR 24 HG21 THR 24 8.536 -1.996 9.271 179 HG22 THR 24 HG22 THR 24 6.828 -2.470 9.382 180 HG23 THR 24 HG23 THR 24 7.339 -0.841 9.875 181 H VAL 25 H VAL 25 6.480 0.973 5.392 182 HA VAL 25 HA VAL 25 4.360 0.049 3.676 183 HB VAL 25 HB VAL 25 6.939 1.481 2.927 184 HG11 VAL 25 HG11 VAL 25 5.898 0.511 0.926 185 HG12 VAL 25 HG12 VAL 25 4.307 1.139 1.419 186 HG13 VAL 25 HG13 VAL 25 5.607 2.250 0.950 187 HG21 VAL 25 HG21 VAL 25 4.148 2.553 3.561 188 HG22 VAL 25 HG22 VAL 25 5.604 2.792 4.550 189 HG23 VAL 25 HG23 VAL 25 5.507 3.517 2.949 190 H GLY 26 H GLY 26 7.693 -1.047 4.141 191 HA2 GLY 26 HA2 GLY 26 7.917 -2.888 1.966 192 HA3 GLY 26 HA3 GLY 26 8.774 -2.968 3.509 193 H ALA 27 H ALA 27 6.684 -3.355 5.340 194 HA ALA 27 HA ALA 27 6.017 -6.129 5.010 195 HB1 ALA 27 HB1 ALA 27 4.887 -4.022 6.908 196 HB2 ALA 27 HB2 ALA 27 4.702 -5.780 7.068 197 HB3 ALA 27 HB3 ALA 27 6.311 -5.043 7.203 198 H VAL 28 H VAL 28 4.036 -3.142 4.632 199 HA VAL 28 HA VAL 28 1.582 -4.434 4.006 200 HB VAL 28 HB VAL 28 2.631 -1.675 3.309 201 HG11 VAL 28 HG11 VAL 28 -0.202 -2.744 2.938 202 HG12 VAL 28 HG12 VAL 28 0.277 -1.035 2.846 203 HG13 VAL 28 HG13 VAL 28 0.882 -2.178 1.650 204 HG21 VAL 28 HG21 VAL 28 2.201 -2.214 5.735 205 HG22 VAL 28 HG22 VAL 28 1.128 -0.958 5.106 206 HG23 VAL 28 HG23 VAL 28 0.529 -2.619 5.318 207 H ARG 29 H ARG 29 4.077 -3.208 1.660 208 HA ARG 29 HA ARG 29 2.625 -4.209 -0.619 209 HB2 ARG 29 HB2 ARG 29 4.515 -3.738 -1.945 210 HB3 ARG 29 HB3 ARG 29 4.402 -2.459 -0.740 211 HG2 ARG 29 HG2 ARG 29 6.219 -3.549 0.564 212 HG3 ARG 29 HG3 ARG 29 6.328 -4.828 -0.652 213 HD2 ARG 29 HD2 ARG 29 6.894 -3.092 -2.372 214 HD3 ARG 29 HD3 ARG 29 6.872 -1.873 -1.098 215 HE ARG 29 HE ARG 29 8.946 -2.582 -0.367 216 HH11 ARG 29 HH11 ARG 29 7.772 -5.097 -2.517 217 HH12 ARG 29 HH12 ARG 29 9.274 -5.974 -2.442 218 HH21 ARG 29 HH21 ARG 29 10.825 -3.768 -0.324 219 HH22 ARG 29 HH22 ARG 29 10.950 -5.229 -1.256 220 H THR 30 H THR 30 5.092 -5.777 1.412 221 HA THR 30 HA THR 30 5.367 -8.157 -0.152 222 HB THR 30 HB THR 30 5.702 -7.774 2.850 223 HG1 THR 30 HG1 THR 30 7.149 -6.545 1.839 224 HG21 THR 30 HG21 THR 30 7.232 -9.742 2.683 225 HG22 THR 30 HG22 THR 30 6.664 -10.020 1.021 226 HG23 THR 30 HG23 THR 30 5.543 -10.175 2.396 227 H LYS 31 H LYS 31 3.067 -7.364 2.488 228 HA LYS 31 HA LYS 31 1.816 -9.902 2.625 229 HB2 LYS 31 HB2 LYS 31 1.581 -7.548 4.016 230 HB3 LYS 31 HB3 LYS 31 0.139 -7.443 3.034 231 HG2 LYS 31 HG2 LYS 31 -0.515 -8.417 5.056 232 HG3 LYS 31 HG3 LYS 31 -0.505 -9.766 3.926 233 HD2 LYS 31 HD2 LYS 31 2.003 -9.234 5.545 234 HD3 LYS 31 HD3 LYS 31 0.587 -9.834 6.405 235 HE2 LYS 31 HE2 LYS 31 0.449 -11.798 4.947 236 HE3 LYS 31 HE3 LYS 31 1.833 -11.239 4.004 237 HZ1 LYS 31 HZ1 LYS 31 3.205 -11.422 6.002 238 HZ2 LYS 31 HZ2 LYS 31 2.496 -12.857 5.691 239 HZ3 LYS 31 HZ3 LYS 31 1.928 -11.916 6.894 240 H VAL 32 H VAL 32 1.007 -7.136 0.522 241 HA VAL 32 HA VAL 32 -1.239 -8.507 -0.718 242 HB VAL 32 HB VAL 32 0.240 -6.000 -1.578 243 HG11 VAL 32 HG11 VAL 32 -1.917 -5.577 -2.861 244 HG12 VAL 32 HG12 VAL 32 -0.911 -6.869 -3.516 245 HG13 VAL 32 HG13 VAL 32 -2.362 -7.262 -2.556 246 HG21 VAL 32 HG21 VAL 32 -0.890 -5.780 0.620 247 HG22 VAL 32 HG22 VAL 32 -1.746 -4.859 -0.613 248 HG23 VAL 32 HG23 VAL 32 -2.391 -6.423 -0.079 249 H CYS 33 H CYS 33 2.207 -8.148 -1.656 250 HA CYS 33 HA CYS 33 2.030 -9.506 -4.180 251 HB2 CYS 33 HB2 CYS 33 4.279 -9.363 -2.118 252 HB3 CYS 33 HB3 CYS 33 4.440 -10.048 -3.740 253 HG CYS 33 HG CYS 33 3.670 -6.970 -2.813 254 H ALA 34 H ALA 34 2.571 -10.811 -0.863 255 HA ALA 34 HA ALA 34 2.610 -13.564 -1.628 256 HB1 ALA 34 HB1 ALA 34 2.326 -13.951 0.792 257 HB2 ALA 34 HB2 ALA 34 3.532 -12.686 0.483 258 HB3 ALA 34 HB3 ALA 34 1.899 -12.244 1.029 259 H MET 35 H MET 35 -0.111 -11.482 -0.517 260 HA MET 35 HA MET 35 -2.094 -13.469 -0.347 261 HB2 MET 35 HB2 MET 35 -2.312 -11.243 0.595 262 HB3 MET 35 HB3 MET 35 -2.331 -10.512 -1.017 263 HG2 MET 35 HG2 MET 35 -4.441 -11.627 -1.543 264 HG3 MET 35 HG3 MET 35 -4.427 -12.459 0.013 265 HE1 MET 35 HE1 MET 35 -5.296 -9.688 2.577 266 HE2 MET 35 HE2 MET 35 -5.064 -11.425 2.277 267 HE3 MET 35 HE3 MET 35 -3.677 -10.311 2.199 268 H LYS 36 H LYS 36 -1.251 -11.461 -3.218 269 HA LYS 36 HA LYS 36 -3.122 -13.011 -4.919 270 HB2 LYS 36 HB2 LYS 36 -1.160 -10.846 -5.741 271 HB3 LYS 36 HB3 LYS 36 -2.473 -11.536 -6.707 272 HG2 LYS 36 HG2 LYS 36 -4.049 -10.723 -4.787 273 HG3 LYS 36 HG3 LYS 36 -2.690 -9.717 -4.288 274 HD2 LYS 36 HD2 LYS 36 -4.281 -9.641 -6.867 275 HD3 LYS 36 HD3 LYS 36 -4.093 -8.359 -5.674 276 HE2 LYS 36 HE2 LYS 36 -1.940 -9.417 -7.561 277 HE3 LYS 36 HE3 LYS 36 -2.841 -7.929 -7.782 278 HZ1 LYS 36 HZ1 LYS 36 -0.622 -7.604 -6.786 279 HZ2 LYS 36 HZ2 LYS 36 -1.064 -8.449 -5.461 280 HZ3 LYS 36 HZ3 LYS 36 -1.818 -7.029 -5.812 281 H LYS 37 H LYS 37 -0.066 -13.619 -3.811 282 HA LYS 37 HA LYS 37 1.731 -14.825 -4.399 283 HB2 LYS 37 HB2 LYS 37 -0.188 -16.535 -4.350 284 HB3 LYS 37 HB3 LYS 37 -0.135 -16.505 -6.106 285 HG2 LYS 37 HG2 LYS 37 1.133 -18.377 -5.450 286 HG3 LYS 37 HG3 LYS 37 2.340 -17.180 -5.923 287 HD2 LYS 37 HD2 LYS 37 2.635 -16.591 -3.482 288 HD3 LYS 37 HD3 LYS 37 1.504 -17.878 -3.064 289 HE2 LYS 37 HE2 LYS 37 4.143 -18.232 -4.566 290 HE3 LYS 37 HE3 LYS 37 3.921 -18.495 -2.835 291 HZ1 LYS 37 HZ1 LYS 37 3.781 -20.582 -4.026 292 HZ2 LYS 37 HZ2 LYS 37 2.570 -20.050 -4.977 293 HZ3 LYS 37 HZ3 LYS 37 2.321 -20.263 -3.374 294 H LEU 38 H LEU 38 2.007 -12.635 -5.576 295 HA LEU 38 HA LEU 38 3.071 -13.208 -8.294 296 HB2 LEU 38 HB2 LEU 38 1.297 -10.893 -7.455 297 HB3 LEU 38 HB3 LEU 38 2.340 -10.790 -8.858 298 HG LEU 38 HG LEU 38 0.149 -12.879 -8.530 299 HD11 LEU 38 HD11 LEU 38 0.204 -10.325 -10.192 300 HD12 LEU 38 HD12 LEU 38 -0.745 -10.587 -8.715 301 HD13 LEU 38 HD13 LEU 38 -1.094 -11.538 -10.165 302 HD21 LEU 38 HD21 LEU 38 1.848 -12.095 -10.942 303 HD22 LEU 38 HD22 LEU 38 0.457 -13.198 -10.977 304 HD23 LEU 38 HD23 LEU 38 1.904 -13.650 -10.078 305 HA PRO 39 HA PRO 39 6.703 -11.163 -6.746 306 HB2 PRO 39 HB2 PRO 39 7.970 -10.418 -9.058 307 HB3 PRO 39 HB3 PRO 39 7.797 -12.127 -8.556 308 HG2 PRO 39 HG2 PRO 39 6.036 -10.564 -10.477 309 HG3 PRO 39 HG3 PRO 39 6.803 -12.165 -10.737 310 HD2 PRO 39 HD2 PRO 39 4.227 -11.946 -9.902 311 HD3 PRO 39 HD3 PRO 39 5.292 -13.234 -9.270 312 HA PRO 40 HA PRO 40 5.858 -6.807 -6.527 313 HB2 PRO 40 HB2 PRO 40 8.343 -5.627 -6.351 314 HB3 PRO 40 HB3 PRO 40 7.577 -6.557 -5.030 315 HG2 PRO 40 HG2 PRO 40 9.590 -7.550 -7.076 316 HG3 PRO 40 HG3 PRO 40 9.634 -7.753 -5.293 317 HD2 PRO 40 HD2 PRO 40 8.690 -9.717 -6.885 318 HD3 PRO 40 HD3 PRO 40 7.868 -9.342 -5.342 319 H ASP 41 H ASP 41 8.036 -7.899 -9.124 320 HA ASP 41 HA ASP 41 7.761 -5.487 -10.703 321 HB2 ASP 41 HB2 ASP 41 8.684 -8.276 -11.425 322 HB3 ASP 41 HB3 ASP 41 8.715 -6.902 -12.534 323 H THR 42 H THR 42 5.397 -7.735 -9.981 324 HA THR 42 HA THR 42 3.711 -6.455 -12.073 325 HB THR 42 HB THR 42 2.297 -8.442 -12.227 326 HG1 THR 42 HG1 THR 42 2.820 -9.428 -10.281 327 HG21 THR 42 HG21 THR 42 4.107 -8.127 -13.893 328 HG22 THR 42 HG22 THR 42 3.714 -9.831 -13.604 329 HG23 THR 42 HG23 THR 42 5.182 -9.132 -12.893 330 H THR 43 H THR 43 4.362 -6.065 -9.035 331 HA THR 43 HA THR 43 1.684 -5.109 -8.371 332 HB THR 43 HB THR 43 2.962 -7.297 -6.701 333 HG1 THR 43 HG1 THR 43 1.434 -7.802 -8.361 334 HG21 THR 43 HG21 THR 43 2.241 -5.556 -5.098 335 HG22 THR 43 HG22 THR 43 1.118 -6.909 -5.075 336 HG23 THR 43 HG23 THR 43 0.688 -5.412 -5.951 337 H ARG 44 H ARG 44 2.165 -3.021 -7.887 338 HA ARG 44 HA ARG 44 4.379 -2.444 -5.961 339 HB2 ARG 44 HB2 ARG 44 3.939 -0.843 -8.512 340 HB3 ARG 44 HB3 ARG 44 5.091 -0.490 -7.224 341 HG2 ARG 44 HG2 ARG 44 6.119 -2.821 -7.740 342 HG3 ARG 44 HG3 ARG 44 5.164 -2.752 -9.238 343 HD2 ARG 44 HD2 ARG 44 6.249 -0.365 -9.490 344 HD3 ARG 44 HD3 ARG 44 7.428 -0.939 -8.314 345 HE ARG 44 HE ARG 44 7.276 -1.546 -11.122 346 HH11 ARG 44 HH11 ARG 44 8.274 -3.254 -8.192 347 HH12 ARG 44 HH12 ARG 44 9.408 -4.222 -9.132 348 HH21 ARG 44 HH21 ARG 44 8.823 -2.823 -12.113 349 HH22 ARG 44 HH22 ARG 44 9.668 -4.011 -11.121 350 H LEU 45 H LEU 45 4.256 -0.464 -4.861 351 HA LEU 45 HA LEU 45 1.490 0.611 -4.475 352 HB2 LEU 45 HB2 LEU 45 1.965 -1.097 -2.821 353 HB3 LEU 45 HB3 LEU 45 3.541 -0.393 -2.475 354 HG LEU 45 HG LEU 45 2.475 1.589 -1.453 355 HD11 LEU 45 HD11 LEU 45 -0.119 0.105 -2.051 356 HD12 LEU 45 HD12 LEU 45 0.339 1.727 -2.613 357 HD13 LEU 45 HD13 LEU 45 0.022 1.443 -0.899 358 HD21 LEU 45 HD21 LEU 45 1.624 0.424 0.542 359 HD22 LEU 45 HD22 LEU 45 3.058 -0.397 -0.096 360 HD23 LEU 45 HD23 LEU 45 1.445 -1.076 -0.397 361 H THR 46 H THR 46 1.343 2.792 -4.435 362 HA THR 46 HA THR 46 3.792 4.440 -3.982 363 HB THR 46 HB THR 46 3.195 5.883 -5.861 364 HG1 THR 46 HG1 THR 46 1.003 5.453 -6.068 365 HG21 THR 46 HG21 THR 46 3.884 4.473 -7.694 366 HG22 THR 46 HG22 THR 46 3.438 3.002 -6.809 367 HG23 THR 46 HG23 THR 46 4.792 4.010 -6.245 368 H TYR 47 H TYR 47 3.543 6.552 -3.381 369 HA TYR 47 HA TYR 47 0.889 7.585 -2.568 370 HB2 TYR 47 HB2 TYR 47 1.628 6.509 -0.547 371 HB3 TYR 47 HB3 TYR 47 3.258 7.106 -0.742 372 HD1 TYR 47 HD1 TYR 47 -0.171 8.704 -0.656 373 HD2 TYR 47 HD2 TYR 47 3.892 8.754 0.770 374 HE1 TYR 47 HE1 TYR 47 -0.679 10.718 0.715 375 HE2 TYR 47 HE2 TYR 47 3.385 10.758 2.147 376 HH TYR 47 HH TYR 47 1.781 12.274 2.800 377 H LYS 48 H LYS 48 0.719 9.729 -2.914 378 HA LYS 48 HA LYS 48 1.160 11.773 -3.805 379 HB2 LYS 48 HB2 LYS 48 2.133 11.602 -1.315 380 HB3 LYS 48 HB3 LYS 48 3.658 11.906 -2.122 381 HG2 LYS 48 HG2 LYS 48 2.891 14.025 -1.465 382 HG3 LYS 48 HG3 LYS 48 2.483 13.973 -3.184 383 HD2 LYS 48 HD2 LYS 48 0.136 13.253 -2.523 384 HD3 LYS 48 HD3 LYS 48 0.585 13.474 -0.832 385 HE2 LYS 48 HE2 LYS 48 0.641 15.640 -2.988 386 HE3 LYS 48 HE3 LYS 48 -0.679 15.388 -1.845 387 HZ1 LYS 48 HZ1 LYS 48 0.797 17.120 -1.056 388 HZ2 LYS 48 HZ2 LYS 48 2.096 16.139 -1.097 389 HZ3 LYS 48 HZ3 LYS 48 0.888 15.857 -0.030 390 H GLY 49 H GLY 49 2.131 9.781 -5.507 391 HA2 GLY 49 HA2 GLY 49 3.150 9.768 -7.587 392 HA3 GLY 49 HA3 GLY 49 3.917 11.314 -7.236 393 H ARG 50 H ARG 50 4.600 8.995 -4.777 394 HA ARG 50 HA ARG 50 7.197 8.188 -6.045 395 HB2 ARG 50 HB2 ARG 50 6.693 9.177 -3.206 396 HB3 ARG 50 HB3 ARG 50 8.208 8.466 -3.774 397 HG2 ARG 50 HG2 ARG 50 8.425 10.288 -5.464 398 HG3 ARG 50 HG3 ARG 50 6.950 11.040 -4.827 399 HD2 ARG 50 HD2 ARG 50 7.992 11.284 -2.614 400 HD3 ARG 50 HD3 ARG 50 9.466 10.503 -3.185 401 HE ARG 50 HE ARG 50 8.543 13.246 -3.735 402 HH11 ARG 50 HH11 ARG 50 10.866 10.809 -4.724 403 HH12 ARG 50 HH12 ARG 50 11.911 11.985 -5.473 404 HH21 ARG 50 HH21 ARG 50 9.923 14.683 -4.706 405 HH22 ARG 50 HH22 ARG 50 11.385 14.116 -5.460 406 H ALA 51 H ALA 51 8.107 6.256 -5.439 407 HA ALA 51 HA ALA 51 6.283 4.198 -4.310 408 HB1 ALA 51 HB1 ALA 51 8.944 3.972 -5.775 409 HB2 ALA 51 HB2 ALA 51 7.918 2.621 -5.244 410 HB3 ALA 51 HB3 ALA 51 7.328 3.746 -6.481 411 H LEU 52 H LEU 52 6.339 4.799 -2.111 412 HA LEU 52 HA LEU 52 8.748 5.138 -0.571 413 HB2 LEU 52 HB2 LEU 52 5.835 4.628 0.091 414 HB3 LEU 52 HB3 LEU 52 7.063 4.502 1.341 415 HG LEU 52 HG LEU 52 7.781 6.810 0.986 416 HD11 LEU 52 HD11 LEU 52 5.521 6.946 -1.054 417 HD12 LEU 52 HD12 LEU 52 7.249 7.246 -1.337 418 HD13 LEU 52 HD13 LEU 52 6.320 8.363 -0.337 419 HD21 LEU 52 HD21 LEU 52 6.040 6.248 2.638 420 HD22 LEU 52 HD22 LEU 52 4.780 6.506 1.413 421 HD23 LEU 52 HD23 LEU 52 5.794 7.864 1.965 422 H LYS 53 H LYS 53 9.781 3.783 0.847 423 HA LYS 53 HA LYS 53 9.128 0.958 1.156 424 HB2 LYS 53 HB2 LYS 53 11.167 0.046 0.117 425 HB3 LYS 53 HB3 LYS 53 10.073 0.788 -1.032 426 HG2 LYS 53 HG2 LYS 53 11.618 2.901 -0.869 427 HG3 LYS 53 HG3 LYS 53 12.751 1.821 -0.054 428 HD2 LYS 53 HD2 LYS 53 13.396 1.882 -2.324 429 HD3 LYS 53 HD3 LYS 53 12.631 0.301 -2.087 430 HE2 LYS 53 HE2 LYS 53 10.521 1.184 -3.075 431 HE3 LYS 53 HE3 LYS 53 11.254 2.782 -3.232 432 HZ1 LYS 53 HZ1 LYS 53 12.871 1.822 -4.780 433 HZ2 LYS 53 HZ2 LYS 53 11.358 1.559 -5.324 434 HZ3 LYS 53 HZ3 LYS 53 12.198 0.339 -4.639 435 H ASP 54 H ASP 54 11.871 3.240 1.499 436 HA ASP 54 HA ASP 54 12.751 1.962 3.978 437 HB2 ASP 54 HB2 ASP 54 13.793 4.399 2.504 438 HB3 ASP 54 HB3 ASP 54 14.568 3.635 3.896 439 H THR 55 H THR 55 10.173 2.852 4.356 440 HA THR 55 HA THR 55 10.063 5.462 5.681 441 HB THR 55 HB THR 55 8.112 3.138 5.541 442 HG1 THR 55 HG1 THR 55 8.648 4.334 3.612 443 HG21 THR 55 HG21 THR 55 6.373 4.860 6.130 444 HG22 THR 55 HG22 THR 55 7.688 5.946 6.631 445 HG23 THR 55 HG23 THR 55 7.424 4.404 7.478 446 H GLU 56 H GLU 56 10.751 2.216 6.718 447 HA GLU 56 HA GLU 56 11.216 1.169 8.633 448 HB2 GLU 56 HB2 GLU 56 11.893 3.893 9.772 449 HB3 GLU 56 HB3 GLU 56 12.252 2.325 10.503 450 HG2 GLU 56 HG2 GLU 56 13.590 1.699 8.493 451 HG3 GLU 56 HG3 GLU 56 13.285 3.298 7.805 452 H THR 57 H THR 57 9.400 4.055 9.818 453 HA THR 57 HA THR 57 7.171 2.316 10.563 454 HB THR 57 HB THR 57 6.853 3.121 12.806 455 HG1 THR 57 HG1 THR 57 9.411 4.298 12.656 456 HG21 THR 57 HG21 THR 57 9.660 1.975 12.666 457 HG22 THR 57 HG22 THR 57 8.149 1.037 12.629 458 HG23 THR 57 HG23 THR 57 8.565 1.986 14.065 459 H LEU 58 H LEU 58 5.210 3.395 10.752 460 HA LEU 58 HA LEU 58 5.000 6.105 9.657 461 HB2 LEU 58 HB2 LEU 58 2.985 4.216 10.930 462 HB3 LEU 58 HB3 LEU 58 2.587 5.760 10.204 463 HG LEU 58 HG LEU 58 3.771 3.379 8.720 464 HD11 LEU 58 HD11 LEU 58 1.429 3.060 9.471 465 HD12 LEU 58 HD12 LEU 58 1.552 3.192 7.709 466 HD13 LEU 58 HD13 LEU 58 0.969 4.571 8.665 467 HD21 LEU 58 HD21 LEU 58 2.760 6.062 7.674 468 HD22 LEU 58 HD22 LEU 58 3.196 4.662 6.672 469 HD23 LEU 58 HD23 LEU 58 4.439 5.477 7.622 470 H GLU 59 H GLU 59 5.352 4.742 12.850 471 HA GLU 59 HA GLU 59 4.410 6.869 14.453 472 HB2 GLU 59 HB2 GLU 59 5.141 4.522 15.191 473 HB3 GLU 59 HB3 GLU 59 6.802 5.085 15.080 474 HG2 GLU 59 HG2 GLU 59 6.314 6.874 16.739 475 HG3 GLU 59 HG3 GLU 59 4.623 6.368 16.788 476 H SER 60 H SER 60 7.827 6.280 13.395 477 HA SER 60 HA SER 60 8.803 8.781 14.414 478 HB2 SER 60 HB2 SER 60 9.948 6.927 12.291 479 HB3 SER 60 HB3 SER 60 10.812 8.284 13.042 480 HG SER 60 HG SER 60 11.253 6.276 14.083 481 H LEU 61 H LEU 61 7.370 7.932 11.293 482 HA LEU 61 HA LEU 61 8.082 10.429 9.987 483 HB2 LEU 61 HB2 LEU 61 7.644 8.296 8.794 484 HB3 LEU 61 HB3 LEU 61 5.969 8.333 9.345 485 HG LEU 61 HG LEU 61 5.560 10.392 8.024 486 HD11 LEU 61 HD11 LEU 61 8.451 10.031 7.104 487 HD12 LEU 61 HD12 LEU 61 7.795 11.418 8.002 488 HD13 LEU 61 HD13 LEU 61 7.264 11.119 6.348 489 HD21 LEU 61 HD21 LEU 61 5.682 9.369 5.813 490 HD22 LEU 61 HD22 LEU 61 5.199 8.164 7.018 491 HD23 LEU 61 HD23 LEU 61 6.865 8.181 6.396 492 H GLY 62 H GLY 62 5.435 9.414 12.085 493 HA2 GLY 62 HA2 GLY 62 3.823 10.670 13.161 494 HA3 GLY 62 HA3 GLY 62 4.451 12.138 12.407 495 H VAL 63 H VAL 63 2.951 9.096 11.207 496 HA VAL 63 HA VAL 63 1.598 10.217 8.996 497 HB VAL 63 HB VAL 63 2.112 7.814 9.420 498 HG11 VAL 63 HG11 VAL 63 0.444 6.404 10.582 499 HG12 VAL 63 HG12 VAL 63 1.173 7.564 11.708 500 HG13 VAL 63 HG13 VAL 63 -0.463 7.834 11.068 501 HG21 VAL 63 HG21 VAL 63 0.260 6.920 8.176 502 HG22 VAL 63 HG22 VAL 63 -0.783 8.278 8.616 503 HG23 VAL 63 HG23 VAL 63 0.633 8.537 7.568 504 H ALA 64 H ALA 64 -0.627 10.633 8.554 505 HA ALA 64 HA ALA 64 -2.314 11.416 10.883 506 HB1 ALA 64 HB1 ALA 64 -1.717 13.114 8.429 507 HB2 ALA 64 HB2 ALA 64 -2.827 13.535 9.751 508 HB3 ALA 64 HB3 ALA 64 -1.090 13.394 10.070 509 H ASP 65 H ASP 65 -4.549 11.792 10.368 510 HA ASP 65 HA ASP 65 -5.800 9.643 8.983 511 HB2 ASP 65 HB2 ASP 65 -6.735 10.794 10.929 512 HB3 ASP 65 HB3 ASP 65 -6.843 12.305 10.024 513 H GLY 66 H GLY 66 -6.405 9.372 6.931 514 HA2 GLY 66 HA2 GLY 66 -7.551 9.978 4.975 515 HA3 GLY 66 HA3 GLY 66 -7.165 11.675 5.234 516 H ASP 67 H ASP 67 -4.283 9.886 5.511 517 HA ASP 67 HA ASP 67 -3.281 10.623 2.882 518 HB2 ASP 67 HB2 ASP 67 -2.184 8.668 4.930 519 HB3 ASP 67 HB3 ASP 67 -1.354 9.178 3.461 520 H LYS 68 H LYS 68 -3.095 9.407 1.011 521 HA LYS 68 HA LYS 68 -4.609 6.842 0.938 522 HB2 LYS 68 HB2 LYS 68 -5.911 7.621 -0.953 523 HB3 LYS 68 HB3 LYS 68 -6.153 8.636 0.471 524 HG2 LYS 68 HG2 LYS 68 -4.576 10.333 -0.506 525 HG3 LYS 68 HG3 LYS 68 -4.456 9.330 -1.966 526 HD2 LYS 68 HD2 LYS 68 -6.897 9.545 -2.322 527 HD3 LYS 68 HD3 LYS 68 -7.028 10.527 -0.845 528 HE2 LYS 68 HE2 LYS 68 -5.468 12.200 -1.832 529 HE3 LYS 68 HE3 LYS 68 -5.366 11.233 -3.308 530 HZ1 LYS 68 HZ1 LYS 68 -6.995 13.021 -3.529 531 HZ2 LYS 68 HZ2 LYS 68 -7.853 12.479 -2.253 532 HZ3 LYS 68 HZ3 LYS 68 -7.762 11.586 -3.620 533 H PHE 69 H PHE 69 -4.052 5.308 -0.445 534 HA PHE 69 HA PHE 69 -1.444 5.716 -1.881 535 HB2 PHE 69 HB2 PHE 69 -2.237 3.199 -0.418 536 HB3 PHE 69 HB3 PHE 69 -0.655 3.670 -1.018 537 HD1 PHE 69 HD1 PHE 69 -0.497 6.488 0.186 538 HD2 PHE 69 HD2 PHE 69 -1.747 2.706 1.829 539 HE1 PHE 69 HE1 PHE 69 0.139 7.268 2.447 540 HE2 PHE 69 HE2 PHE 69 -1.097 3.483 4.093 541 HZ PHE 69 HZ PHE 69 -0.159 5.768 4.410 542 H VAL 70 H VAL 70 -1.178 4.747 -3.859 543 HA VAL 70 HA VAL 70 -3.520 3.242 -4.983 544 HB VAL 70 HB VAL 70 -1.312 4.689 -6.475 545 HG11 VAL 70 HG11 VAL 70 -2.149 2.753 -7.758 546 HG12 VAL 70 HG12 VAL 70 -3.826 3.272 -7.477 547 HG13 VAL 70 HG13 VAL 70 -2.730 4.257 -8.470 548 HG21 VAL 70 HG21 VAL 70 -2.882 6.282 -5.428 549 HG22 VAL 70 HG22 VAL 70 -3.130 6.228 -7.174 550 HG23 VAL 70 HG23 VAL 70 -4.261 5.382 -6.096 551 H LEU 71 H LEU 71 -3.304 1.152 -5.540 552 HA LEU 71 HA LEU 71 -0.566 -0.045 -5.450 553 HB2 LEU 71 HB2 LEU 71 -1.995 -0.448 -3.438 554 HB3 LEU 71 HB3 LEU 71 -3.080 -1.403 -4.432 555 HG LEU 71 HG LEU 71 -0.088 -1.988 -4.256 556 HD11 LEU 71 HD11 LEU 71 -1.028 -2.004 -1.974 557 HD12 LEU 71 HD12 LEU 71 -0.565 -3.614 -2.511 558 HD13 LEU 71 HD13 LEU 71 -2.286 -3.143 -2.501 559 HD21 LEU 71 HD21 LEU 71 -2.509 -3.687 -5.016 560 HD22 LEU 71 HD22 LEU 71 -0.877 -4.330 -4.744 561 HD23 LEU 71 HD23 LEU 71 -1.156 -3.206 -6.071 562 H ILE 72 H ILE 72 0.002 -0.424 -7.401 563 HA ILE 72 HA ILE 72 -1.911 -1.031 -9.572 564 HB ILE 72 HB ILE 72 1.083 -0.450 -9.641 565 HG12 ILE 72 HG12 ILE 72 -0.051 1.691 -10.886 566 HG13 ILE 72 HG13 ILE 72 -1.343 1.342 -9.749 567 HG21 ILE 72 HG21 ILE 72 -0.954 -0.650 -11.902 568 HG22 ILE 72 HG22 ILE 72 0.723 -0.088 -12.070 569 HG23 ILE 72 HG23 ILE 72 0.415 -1.752 -11.603 570 HD11 ILE 72 HD11 ILE 72 1.596 1.868 -9.061 571 HD12 ILE 72 HD12 ILE 72 0.265 3.029 -8.902 572 HD13 ILE 72 HD13 ILE 72 0.308 1.596 -7.866 573 H THR 73 H THR 73 -1.903 -2.960 -10.731 574 HA THR 73 HA THR 73 0.122 -4.999 -10.199 575 HB THR 73 HB THR 73 -1.526 -5.372 -8.400 576 HG1 THR 73 HG1 THR 73 -0.367 -7.103 -9.301 577 HG21 THR 73 HG21 THR 73 -3.724 -6.323 -8.901 578 HG22 THR 73 HG22 THR 73 -3.470 -6.092 -10.640 579 HG23 THR 73 HG23 THR 73 -3.617 -4.686 -9.559 580 H ARG 74 H ARG 74 0.024 -6.825 -11.679 581 HA ARG 74 HA ARG 74 -1.340 -6.243 -14.270 582 HB2 ARG 74 HB2 ARG 74 0.795 -5.014 -14.187 583 HB3 ARG 74 HB3 ARG 74 1.675 -6.516 -13.914 584 HG2 ARG 74 HG2 ARG 74 1.171 -7.339 -16.105 585 HG3 ARG 74 HG3 ARG 74 -0.075 -6.111 -16.381 586 HD2 ARG 74 HD2 ARG 74 2.875 -5.470 -15.990 587 HD3 ARG 74 HD3 ARG 74 2.120 -5.717 -17.575 588 HE ARG 74 HE ARG 74 0.514 -3.808 -16.376 589 HH11 ARG 74 HH11 ARG 74 3.926 -3.877 -17.173 590 HH12 ARG 74 HH12 ARG 74 4.007 -2.144 -17.346 591 HH21 ARG 74 HH21 ARG 74 0.687 -1.619 -16.615 592 HH22 ARG 74 HH22 ARG 74 2.213 -0.905 -17.043 593 H THR 75 H THR 75 -1.663 -7.903 -15.623 594 HA THR 75 HA THR 75 -0.912 -10.680 -14.866 595 HB THR 75 HB THR 75 -3.278 -11.390 -15.193 596 HG1 THR 75 HG1 THR 75 -4.122 -9.662 -16.327 597 HG21 THR 75 HG21 THR 75 -3.046 -9.321 -12.978 598 HG22 THR 75 HG22 THR 75 -2.405 -10.984 -12.892 599 HG23 THR 75 HG23 THR 75 -4.150 -10.705 -13.056 600 H VAL 76 H VAL 76 -1.476 -12.269 -16.552 601 HA VAL 76 HA VAL 76 -0.613 -11.416 -19.167 602 HB VAL 76 HB VAL 76 -1.000 -13.726 -19.860 603 HG11 VAL 76 HG11 VAL 76 1.093 -13.101 -18.703 604 HG12 VAL 76 HG12 VAL 76 0.379 -13.588 -17.149 605 HG13 VAL 76 HG13 VAL 76 0.640 -14.790 -18.427 606 HG21 VAL 76 HG21 VAL 76 -1.733 -15.458 -18.293 607 HG22 VAL 76 HG22 VAL 76 -2.096 -14.238 -17.059 608 HG23 VAL 76 HG23 VAL 76 -3.029 -14.292 -18.570 609 H GLY 77 H GLY 77 -1.687 -11.648 -21.174 610 HA2 GLY 77 HA2 GLY 77 -4.390 -10.573 -21.307 611 HA3 GLY 77 HA3 GLY 77 -3.367 -11.042 -22.663 Start of MODEL 6 1 HA MET 1 HA MET 1 -4.253 5.090 13.122 2 HB2 MET 1 HB2 MET 1 -4.840 6.941 14.601 3 HB3 MET 1 HB3 MET 1 -6.073 7.503 13.470 4 HG2 MET 1 HG2 MET 1 -7.345 5.435 13.784 5 HG3 MET 1 HG3 MET 1 -6.059 4.770 14.807 6 HE1 MET 1 HE1 MET 1 -8.948 5.367 17.406 7 HE2 MET 1 HE2 MET 1 -9.194 4.920 15.709 8 HE3 MET 1 HE3 MET 1 -7.871 4.177 16.639 9 H LYS 2 H LYS 2 -6.323 7.226 11.018 10 HA LYS 2 HA LYS 2 -7.229 4.707 9.644 11 HB2 LYS 2 HB2 LYS 2 -8.615 7.348 10.093 12 HB3 LYS 2 HB3 LYS 2 -9.032 6.331 8.702 13 HG2 LYS 2 HG2 LYS 2 -9.412 4.397 10.187 14 HG3 LYS 2 HG3 LYS 2 -9.079 5.395 11.602 15 HD2 LYS 2 HD2 LYS 2 -11.300 5.943 9.580 16 HD3 LYS 2 HD3 LYS 2 -11.537 4.982 11.032 17 HE2 LYS 2 HE2 LYS 2 -10.614 7.892 11.045 18 HE3 LYS 2 HE3 LYS 2 -12.294 7.374 11.205 19 HZ1 LYS 2 HZ1 LYS 2 -11.347 7.704 13.386 20 HZ2 LYS 2 HZ2 LYS 2 -10.114 6.669 13.095 21 HZ3 LYS 2 HZ3 LYS 2 -11.634 6.103 13.199 22 H ILE 3 H ILE 3 -7.068 4.396 7.598 23 HA ILE 3 HA ILE 3 -5.715 6.340 5.805 24 HB ILE 3 HB ILE 3 -4.181 4.644 4.999 25 HG12 ILE 3 HG12 ILE 3 -3.717 2.613 6.512 26 HG13 ILE 3 HG13 ILE 3 -5.371 2.770 7.076 27 HG21 ILE 3 HG21 ILE 3 -3.519 6.184 6.827 28 HG22 ILE 3 HG22 ILE 3 -3.878 4.901 8.006 29 HG23 ILE 3 HG23 ILE 3 -2.603 4.672 6.796 30 HD11 ILE 3 HD11 ILE 3 -4.989 1.087 5.242 31 HD12 ILE 3 HD12 ILE 3 -6.194 2.294 4.798 32 HD13 ILE 3 HD13 ILE 3 -4.534 2.409 4.153 33 H LYS 4 H LYS 4 -5.720 5.467 3.521 34 HA LYS 4 HA LYS 4 -8.034 3.682 2.931 35 HB2 LYS 4 HB2 LYS 4 -7.422 6.316 1.531 36 HB3 LYS 4 HB3 LYS 4 -8.505 5.068 0.889 37 HG2 LYS 4 HG2 LYS 4 -9.883 5.231 2.950 38 HG3 LYS 4 HG3 LYS 4 -8.840 6.517 3.556 39 HD2 LYS 4 HD2 LYS 4 -10.881 7.428 2.679 40 HD3 LYS 4 HD3 LYS 4 -9.525 7.972 1.682 41 HE2 LYS 4 HE2 LYS 4 -10.168 6.692 -0.157 42 HE3 LYS 4 HE3 LYS 4 -10.970 5.469 0.841 43 HZ1 LYS 4 HZ1 LYS 4 -12.795 6.877 1.206 44 HZ2 LYS 4 HZ2 LYS 4 -12.543 6.915 -0.403 45 HZ3 LYS 4 HZ3 LYS 4 -12.082 8.193 0.510 46 H ILE 5 H ILE 5 -7.819 2.352 1.158 47 HA ILE 5 HA ILE 5 -5.249 2.469 -0.324 48 HB ILE 5 HB ILE 5 -5.038 0.756 1.403 49 HG12 ILE 5 HG12 ILE 5 -5.120 -0.489 -1.379 50 HG13 ILE 5 HG13 ILE 5 -3.903 0.679 -0.864 51 HG21 ILE 5 HG21 ILE 5 -7.424 0.023 1.528 52 HG22 ILE 5 HG22 ILE 5 -7.255 -0.760 -0.056 53 HG23 ILE 5 HG23 ILE 5 -6.312 -1.329 1.336 54 HD11 ILE 5 HD11 ILE 5 -3.197 -0.848 0.966 55 HD12 ILE 5 HD12 ILE 5 -4.352 -2.067 0.365 56 HD13 ILE 5 HD13 ILE 5 -3.000 -1.547 -0.652 57 H VAL 6 H VAL 6 -5.306 2.048 -2.444 58 HA VAL 6 HA VAL 6 -7.971 1.598 -3.733 59 HB VAL 6 HB VAL 6 -5.905 3.546 -4.787 60 HG11 VAL 6 HG11 VAL 6 -7.838 4.398 -6.041 61 HG12 VAL 6 HG12 VAL 6 -7.626 2.674 -6.364 62 HG13 VAL 6 HG13 VAL 6 -8.904 3.215 -5.254 63 HG21 VAL 6 HG21 VAL 6 -6.463 4.506 -2.672 64 HG22 VAL 6 HG22 VAL 6 -7.399 5.357 -3.902 65 HG23 VAL 6 HG23 VAL 6 -8.183 4.129 -2.878 66 HA PRO 7 HA PRO 7 -4.967 -1.384 -5.589 67 HB2 PRO 7 HB2 PRO 7 -6.421 -3.664 -5.380 68 HB3 PRO 7 HB3 PRO 7 -5.492 -2.990 -4.006 69 HG2 PRO 7 HG2 PRO 7 -8.458 -2.686 -4.574 70 HG3 PRO 7 HG3 PRO 7 -7.663 -3.117 -3.029 71 HD2 PRO 7 HD2 PRO 7 -8.461 -0.560 -3.651 72 HD3 PRO 7 HD3 PRO 7 -7.045 -0.903 -2.619 73 H ALA 8 H ALA 8 -4.920 -1.535 -7.766 74 HA ALA 8 HA ALA 8 -7.233 -1.050 -9.445 75 HB1 ALA 8 HB1 ALA 8 -4.396 -1.894 -10.151 76 HB2 ALA 8 HB2 ALA 8 -5.605 -1.224 -11.267 77 HB3 ALA 8 HB3 ALA 8 -4.971 -0.220 -9.954 78 H VAL 9 H VAL 9 -7.926 -3.243 -7.938 79 HA VAL 9 HA VAL 9 -7.990 -5.553 -9.822 80 HB VAL 9 HB VAL 9 -7.214 -5.796 -6.886 81 HG11 VAL 9 HG11 VAL 9 -7.423 -7.866 -9.118 82 HG12 VAL 9 HG12 VAL 9 -6.672 -8.162 -7.542 83 HG13 VAL 9 HG13 VAL 9 -8.389 -7.800 -7.620 84 HG21 VAL 9 HG21 VAL 9 -5.298 -4.882 -8.103 85 HG22 VAL 9 HG22 VAL 9 -5.001 -6.578 -7.736 86 HG23 VAL 9 HG23 VAL 9 -5.496 -6.109 -9.377 87 H GLY 10 H GLY 10 -9.801 -6.904 -9.609 88 HA2 GLY 10 HA2 GLY 10 -11.963 -7.517 -9.070 89 HA3 GLY 10 HA3 GLY 10 -11.692 -6.821 -7.472 90 H GLY 11 H GLY 11 -13.141 -5.284 -6.976 91 HA2 GLY 11 HA2 GLY 11 -14.814 -3.883 -8.870 92 HA3 GLY 11 HA3 GLY 11 -14.655 -3.555 -7.143 93 H GLY 12 H GLY 12 -11.580 -3.202 -7.714 94 HA2 GLY 12 HA2 GLY 12 -10.098 -1.549 -8.247 95 HA3 GLY 12 HA3 GLY 12 -11.248 -0.942 -9.433 96 H SER 13 H SER 13 -12.726 -0.922 -6.394 97 HA SER 13 HA SER 13 -12.744 1.978 -6.326 98 HB2 SER 13 HB2 SER 13 -14.466 1.598 -4.549 99 HB3 SER 13 HB3 SER 13 -14.813 0.787 -6.082 100 HG SER 13 HG SER 13 -15.150 -0.564 -4.238 101 HA PRO 14 HA PRO 14 -10.032 2.581 -2.766 102 HB2 PRO 14 HB2 PRO 14 -11.143 4.761 -1.558 103 HB3 PRO 14 HB3 PRO 14 -10.294 4.873 -3.129 104 HG2 PRO 14 HG2 PRO 14 -13.281 4.620 -2.669 105 HG3 PRO 14 HG3 PRO 14 -12.413 5.809 -3.694 106 HD2 PRO 14 HD2 PRO 14 -13.477 3.559 -4.750 107 HD3 PRO 14 HD3 PRO 14 -11.899 4.170 -5.322 108 H LEU 15 H LEU 15 -9.961 2.077 -0.565 109 HA LEU 15 HA LEU 15 -12.491 1.467 0.896 110 HB2 LEU 15 HB2 LEU 15 -11.695 -0.596 -0.187 111 HB3 LEU 15 HB3 LEU 15 -10.090 -0.356 0.500 112 HG LEU 15 HG LEU 15 -11.044 -0.642 2.798 113 HD11 LEU 15 HD11 LEU 15 -13.592 -1.381 1.286 114 HD12 LEU 15 HD12 LEU 15 -13.395 -0.001 2.390 115 HD13 LEU 15 HD13 LEU 15 -13.305 -1.645 3.021 116 HD21 LEU 15 HD21 LEU 15 -11.380 -3.065 2.622 117 HD22 LEU 15 HD22 LEU 15 -10.038 -2.531 1.599 118 HD23 LEU 15 HD23 LEU 15 -11.611 -2.920 0.865 119 H GLU 16 H GLU 16 -12.529 2.398 2.829 120 HA GLU 16 HA GLU 16 -10.225 3.501 4.207 121 HB2 GLU 16 HB2 GLU 16 -13.053 2.920 5.200 122 HB3 GLU 16 HB3 GLU 16 -11.821 3.834 6.055 123 HG2 GLU 16 HG2 GLU 16 -13.283 5.424 5.156 124 HG3 GLU 16 HG3 GLU 16 -11.798 5.527 4.228 125 H LEU 17 H LEU 17 -9.070 2.745 5.920 126 HA LEU 17 HA LEU 17 -9.883 0.313 7.361 127 HB2 LEU 17 HB2 LEU 17 -7.965 0.162 5.261 128 HB3 LEU 17 HB3 LEU 17 -7.007 0.232 6.716 129 HG LEU 17 HG LEU 17 -7.348 -2.042 6.057 130 HD11 LEU 17 HD11 LEU 17 -9.126 -1.606 8.485 131 HD12 LEU 17 HD12 LEU 17 -7.342 -1.582 8.505 132 HD13 LEU 17 HD13 LEU 17 -8.212 -3.057 8.056 133 HD21 LEU 17 HD21 LEU 17 -10.353 -1.675 6.336 134 HD22 LEU 17 HD22 LEU 17 -9.485 -3.158 5.905 135 HD23 LEU 17 HD23 LEU 17 -9.470 -1.773 4.799 136 H GLU 18 H GLU 18 -8.874 0.122 9.423 137 HA GLU 18 HA GLU 18 -7.495 2.578 10.432 138 HB2 GLU 18 HB2 GLU 18 -9.785 2.246 11.299 139 HB3 GLU 18 HB3 GLU 18 -9.307 0.681 11.962 140 HG2 GLU 18 HG2 GLU 18 -7.724 1.738 13.480 141 HG3 GLU 18 HG3 GLU 18 -7.937 3.303 12.689 142 H VAL 19 H VAL 19 -5.513 2.346 11.272 143 HA VAL 19 HA VAL 19 -4.349 -0.375 11.644 144 HB VAL 19 HB VAL 19 -2.481 0.182 10.192 145 HG11 VAL 19 HG11 VAL 19 -5.082 0.532 8.653 146 HG12 VAL 19 HG12 VAL 19 -3.536 -0.078 8.038 147 HG13 VAL 19 HG13 VAL 19 -4.439 -1.018 9.238 148 HG21 VAL 19 HG21 VAL 19 -2.478 2.646 10.310 149 HG22 VAL 19 HG22 VAL 19 -2.525 2.083 8.640 150 HG23 VAL 19 HG23 VAL 19 -4.006 2.701 9.402 151 H ALA 20 H ALA 20 -2.322 -0.462 12.689 152 HA ALA 20 HA ALA 20 -1.883 1.474 14.788 153 HB1 ALA 20 HB1 ALA 20 -1.433 -0.939 15.059 154 HB2 ALA 20 HB2 ALA 20 -0.186 -0.862 13.793 155 HB3 ALA 20 HB3 ALA 20 0.044 0.003 15.325 156 HA PRO 21 HA PRO 21 0.900 4.253 12.625 157 HB2 PRO 21 HB2 PRO 21 2.573 5.115 14.630 158 HB3 PRO 21 HB3 PRO 21 0.864 5.619 14.478 159 HG2 PRO 21 HG2 PRO 21 2.003 3.413 16.223 160 HG3 PRO 21 HG3 PRO 21 0.867 4.719 16.690 161 HD2 PRO 21 HD2 PRO 21 -0.017 2.237 16.065 162 HD3 PRO 21 HD3 PRO 21 -0.934 3.685 15.557 163 H ASN 22 H ASN 22 2.216 1.552 14.464 164 HA ASN 22 HA ASN 22 4.856 1.570 13.275 165 HB2 ASN 22 HB2 ASN 22 3.347 -0.525 14.897 166 HB3 ASN 22 HB3 ASN 22 5.045 -0.634 14.460 167 HD21 ASN 22 HD21 ASN 22 6.594 0.663 15.544 168 HD22 ASN 22 HD22 ASN 22 6.151 1.572 16.981 169 H ALA 23 H ALA 23 2.229 1.165 11.485 170 HA ALA 23 HA ALA 23 2.521 -1.383 10.220 171 HB1 ALA 23 HB1 ALA 23 1.363 1.250 9.207 172 HB2 ALA 23 HB2 ALA 23 1.147 -0.338 8.438 173 HB3 ALA 23 HB3 ALA 23 0.487 -0.043 10.057 174 H THR 24 H THR 24 4.486 -2.003 9.482 175 HA THR 24 HA THR 24 6.405 -0.269 8.231 176 HB THR 24 HB THR 24 6.307 -3.308 8.210 177 HG1 THR 24 HG1 THR 24 7.529 -3.160 10.073 178 HG21 THR 24 HG21 THR 24 8.627 -1.343 7.943 179 HG22 THR 24 HG22 THR 24 8.033 -2.454 6.689 180 HG23 THR 24 HG23 THR 24 8.796 -3.101 8.139 181 H VAL 25 H VAL 25 6.648 0.305 6.119 182 HA VAL 25 HA VAL 25 4.722 -0.280 4.124 183 HB VAL 25 HB VAL 25 7.496 0.923 4.068 184 HG11 VAL 25 HG11 VAL 25 7.296 0.027 1.853 185 HG12 VAL 25 HG12 VAL 25 5.628 0.652 1.686 186 HG13 VAL 25 HG13 VAL 25 7.012 1.764 1.788 187 HG21 VAL 25 HG21 VAL 25 6.243 2.998 3.683 188 HG22 VAL 25 HG22 VAL 25 4.711 2.097 3.607 189 HG23 VAL 25 HG23 VAL 25 5.625 2.199 5.127 190 H GLY 26 H GLY 26 7.845 -1.909 4.712 191 HA2 GLY 26 HA2 GLY 26 7.794 -3.656 2.434 192 HA3 GLY 26 HA3 GLY 26 8.626 -3.953 3.965 193 H ALA 27 H ALA 27 6.351 -3.997 5.714 194 HA ALA 27 HA ALA 27 5.371 -6.679 5.313 195 HB1 ALA 27 HB1 ALA 27 4.120 -6.280 7.366 196 HB2 ALA 27 HB2 ALA 27 5.780 -5.686 7.545 197 HB3 ALA 27 HB3 ALA 27 4.441 -4.541 7.275 198 H VAL 28 H VAL 28 3.944 -3.440 4.730 199 HA VAL 28 HA VAL 28 1.331 -4.331 3.957 200 HB VAL 28 HB VAL 28 2.930 -1.898 3.085 201 HG11 VAL 28 HG11 VAL 28 0.763 -0.938 2.338 202 HG12 VAL 28 HG12 VAL 28 1.253 -2.309 1.343 203 HG13 VAL 28 HG13 VAL 28 -0.010 -2.521 2.575 204 HG21 VAL 28 HG21 VAL 28 2.284 -1.989 5.496 205 HG22 VAL 28 HG22 VAL 28 1.437 -0.705 4.631 206 HG23 VAL 28 HG23 VAL 28 0.592 -2.220 5.022 207 H ARG 29 H ARG 29 4.320 -3.957 1.968 208 HA ARG 29 HA ARG 29 3.139 -4.950 -0.472 209 HB2 ARG 29 HB2 ARG 29 6.019 -4.878 0.512 210 HB3 ARG 29 HB3 ARG 29 5.552 -5.612 -1.024 211 HG2 ARG 29 HG2 ARG 29 4.500 -3.449 -1.724 212 HG3 ARG 29 HG3 ARG 29 5.131 -2.701 -0.242 213 HD2 ARG 29 HD2 ARG 29 7.447 -3.295 -0.936 214 HD3 ARG 29 HD3 ARG 29 6.817 -4.125 -2.355 215 HE ARG 29 HE ARG 29 6.530 -2.123 -3.459 216 HH11 ARG 29 HH11 ARG 29 7.117 -1.328 -0.092 217 HH12 ARG 29 HH12 ARG 29 7.407 0.364 -0.489 218 HH21 ARG 29 HH21 ARG 29 6.922 0.093 -3.806 219 HH22 ARG 29 HH22 ARG 29 7.285 1.094 -2.416 220 H THR 30 H THR 30 5.039 -6.812 2.010 221 HA THR 30 HA THR 30 4.724 -9.270 0.590 222 HB THR 30 HB THR 30 5.331 -10.429 2.657 223 HG1 THR 30 HG1 THR 30 5.721 -9.278 4.506 224 HG21 THR 30 HG21 THR 30 7.045 -7.962 2.156 225 HG22 THR 30 HG22 THR 30 7.113 -9.486 1.249 226 HG23 THR 30 HG23 THR 30 7.555 -9.458 2.963 227 H LYS 31 H LYS 31 2.596 -7.823 3.080 228 HA LYS 31 HA LYS 31 0.786 -10.013 3.316 229 HB2 LYS 31 HB2 LYS 31 0.926 -7.864 4.717 230 HB3 LYS 31 HB3 LYS 31 0.041 -7.060 3.434 231 HG2 LYS 31 HG2 LYS 31 -1.893 -7.785 4.316 232 HG3 LYS 31 HG3 LYS 31 -1.425 -9.461 4.043 233 HD2 LYS 31 HD2 LYS 31 -0.759 -7.810 6.518 234 HD3 LYS 31 HD3 LYS 31 -2.035 -9.030 6.397 235 HE2 LYS 31 HE2 LYS 31 -0.358 -10.787 5.947 236 HE3 LYS 31 HE3 LYS 31 0.942 -9.591 6.004 237 HZ1 LYS 31 HZ1 LYS 31 0.728 -10.743 8.123 238 HZ2 LYS 31 HZ2 LYS 31 -0.826 -10.280 8.289 239 HZ3 LYS 31 HZ3 LYS 31 0.369 -9.167 8.335 240 H VAL 32 H VAL 32 0.692 -7.250 1.003 241 HA VAL 32 HA VAL 32 -1.639 -8.238 -0.387 242 HB VAL 32 HB VAL 32 0.489 -6.260 -1.271 243 HG11 VAL 32 HG11 VAL 32 -2.160 -7.049 -2.573 244 HG12 VAL 32 HG12 VAL 32 -1.259 -5.581 -2.975 245 HG13 VAL 32 HG13 VAL 32 -0.537 -7.155 -3.296 246 HG21 VAL 32 HG21 VAL 32 -0.950 -5.571 0.672 247 HG22 VAL 32 HG22 VAL 32 -1.252 -4.600 -0.768 248 HG23 VAL 32 HG23 VAL 32 -2.392 -5.886 -0.310 249 H CYS 33 H CYS 33 1.889 -8.680 -1.084 250 HA CYS 33 HA CYS 33 1.574 -10.241 -3.428 251 HB2 CYS 33 HB2 CYS 33 3.676 -10.385 -1.225 252 HB3 CYS 33 HB3 CYS 33 3.791 -11.219 -2.783 253 HG CYS 33 HG CYS 33 5.333 -9.108 -2.833 254 H ALA 34 H ALA 34 1.496 -11.349 0.008 255 HA ALA 34 HA ALA 34 1.065 -14.115 -0.596 256 HB1 ALA 34 HB1 ALA 34 0.407 -14.251 1.775 257 HB2 ALA 34 HB2 ALA 34 1.876 -13.278 1.575 258 HB3 ALA 34 HB3 ALA 34 0.316 -12.481 1.870 259 H MET 35 H MET 35 -1.287 -11.448 0.009 260 HA MET 35 HA MET 35 -3.652 -13.071 -0.186 261 HB2 MET 35 HB2 MET 35 -3.142 -10.097 -0.560 262 HB3 MET 35 HB3 MET 35 -4.755 -10.813 -0.651 263 HG2 MET 35 HG2 MET 35 -4.640 -11.609 1.611 264 HG3 MET 35 HG3 MET 35 -2.948 -11.140 1.769 265 HE1 MET 35 HE1 MET 35 -4.935 -8.763 4.230 266 HE2 MET 35 HE2 MET 35 -5.464 -10.394 3.763 267 HE3 MET 35 HE3 MET 35 -3.747 -10.078 4.099 268 H LYS 36 H LYS 36 -1.865 -11.238 -2.690 269 HA LYS 36 HA LYS 36 -3.707 -11.993 -4.853 270 HB2 LYS 36 HB2 LYS 36 -0.919 -10.763 -4.858 271 HB3 LYS 36 HB3 LYS 36 -1.922 -10.927 -6.287 272 HG2 LYS 36 HG2 LYS 36 -2.769 -9.253 -3.879 273 HG3 LYS 36 HG3 LYS 36 -1.777 -8.651 -5.190 274 HD2 LYS 36 HD2 LYS 36 -3.919 -7.925 -5.737 275 HD3 LYS 36 HD3 LYS 36 -3.600 -9.270 -6.817 276 HE2 LYS 36 HE2 LYS 36 -5.875 -9.420 -6.090 277 HE3 LYS 36 HE3 LYS 36 -5.008 -10.748 -5.349 278 HZ1 LYS 36 HZ1 LYS 36 -4.913 -9.422 -3.281 279 HZ2 LYS 36 HZ2 LYS 36 -6.461 -9.618 -3.760 280 HZ3 LYS 36 HZ3 LYS 36 -5.714 -8.189 -3.998 281 H LYS 37 H LYS 37 -0.933 -13.475 -3.436 282 HA LYS 37 HA LYS 37 0.421 -15.194 -3.922 283 HB2 LYS 37 HB2 LYS 37 -1.902 -16.341 -4.247 284 HB3 LYS 37 HB3 LYS 37 -1.512 -16.290 -5.961 285 HG2 LYS 37 HG2 LYS 37 0.792 -17.422 -5.095 286 HG3 LYS 37 HG3 LYS 37 -0.195 -17.798 -3.689 287 HD2 LYS 37 HD2 LYS 37 -0.285 -19.693 -5.136 288 HD3 LYS 37 HD3 LYS 37 -1.868 -18.901 -5.267 289 HE2 LYS 37 HE2 LYS 37 -1.114 -17.783 -7.371 290 HE3 LYS 37 HE3 LYS 37 0.475 -18.533 -7.204 291 HZ1 LYS 37 HZ1 LYS 37 -0.603 -20.709 -7.435 292 HZ2 LYS 37 HZ2 LYS 37 -0.933 -19.780 -8.734 293 HZ3 LYS 37 HZ3 LYS 37 -2.075 -20.013 -7.592 294 H LEU 38 H LEU 38 0.790 -12.763 -5.255 295 HA LEU 38 HA LEU 38 2.114 -13.546 -7.822 296 HB2 LEU 38 HB2 LEU 38 0.403 -11.189 -7.121 297 HB3 LEU 38 HB3 LEU 38 1.876 -10.828 -7.994 298 HG LEU 38 HG LEU 38 1.258 -12.387 -9.802 299 HD11 LEU 38 HD11 LEU 38 -1.404 -12.640 -8.347 300 HD12 LEU 38 HD12 LEU 38 -0.233 -13.951 -8.613 301 HD13 LEU 38 HD13 LEU 38 -1.056 -13.217 -9.989 302 HD21 LEU 38 HD21 LEU 38 0.668 -9.990 -9.937 303 HD22 LEU 38 HD22 LEU 38 -0.887 -10.319 -9.146 304 HD23 LEU 38 HD23 LEU 38 -0.535 -10.995 -10.752 305 HA PRO 39 HA PRO 39 5.909 -12.248 -5.881 306 HB2 PRO 39 HB2 PRO 39 7.478 -11.597 -8.035 307 HB3 PRO 39 HB3 PRO 39 6.972 -13.275 -7.670 308 HG2 PRO 39 HG2 PRO 39 5.685 -11.317 -9.599 309 HG3 PRO 39 HG3 PRO 39 6.174 -13.013 -9.913 310 HD2 PRO 39 HD2 PRO 39 3.617 -12.365 -9.260 311 HD3 PRO 39 HD3 PRO 39 4.370 -13.869 -8.654 312 HA PRO 40 HA PRO 40 5.875 -7.810 -5.403 313 HB2 PRO 40 HB2 PRO 40 8.499 -7.157 -4.924 314 HB3 PRO 40 HB3 PRO 40 7.465 -8.034 -3.758 315 HG2 PRO 40 HG2 PRO 40 9.431 -9.217 -5.748 316 HG3 PRO 40 HG3 PRO 40 9.296 -9.559 -3.991 317 HD2 PRO 40 HD2 PRO 40 8.146 -11.184 -5.812 318 HD3 PRO 40 HD3 PRO 40 7.288 -10.787 -4.296 319 H ASP 41 H ASP 41 7.859 -9.187 -7.966 320 HA ASP 41 HA ASP 41 8.592 -6.750 -9.296 321 HB2 ASP 41 HB2 ASP 41 8.211 -9.567 -10.377 322 HB3 ASP 41 HB3 ASP 41 8.952 -8.236 -11.263 323 H THR 42 H THR 42 5.602 -8.661 -9.406 324 HA THR 42 HA THR 42 4.565 -7.132 -11.718 325 HB THR 42 HB THR 42 2.689 -8.771 -11.652 326 HG1 THR 42 HG1 THR 42 2.885 -9.321 -9.435 327 HG21 THR 42 HG21 THR 42 5.455 -10.035 -11.757 328 HG22 THR 42 HG22 THR 42 4.644 -9.179 -13.089 329 HG23 THR 42 HG23 THR 42 3.958 -10.686 -12.456 330 H THR 43 H THR 43 4.837 -5.960 -8.888 331 HA THR 43 HA THR 43 2.195 -4.656 -8.930 332 HB THR 43 HB THR 43 1.852 -6.507 -7.389 333 HG1 THR 43 HG1 THR 43 1.128 -5.254 -5.687 334 HG21 THR 43 HG21 THR 43 2.976 -6.590 -5.203 335 HG22 THR 43 HG22 THR 43 4.069 -5.275 -5.688 336 HG23 THR 43 HG23 THR 43 4.128 -6.846 -6.518 337 H ARG 44 H ARG 44 2.095 -2.644 -7.896 338 HA ARG 44 HA ARG 44 4.589 -1.417 -6.856 339 HB2 ARG 44 HB2 ARG 44 2.971 -0.336 -9.211 340 HB3 ARG 44 HB3 ARG 44 4.091 0.655 -8.285 341 HG2 ARG 44 HG2 ARG 44 4.872 -1.830 -9.871 342 HG3 ARG 44 HG3 ARG 44 5.068 -0.159 -10.396 343 HD2 ARG 44 HD2 ARG 44 6.567 0.312 -8.500 344 HD3 ARG 44 HD3 ARG 44 6.402 -1.342 -7.918 345 HE ARG 44 HE ARG 44 7.968 -0.401 -10.220 346 HH11 ARG 44 HH11 ARG 44 6.678 -3.303 -8.665 347 HH12 ARG 44 HH12 ARG 44 7.913 -4.303 -9.367 348 HH21 ARG 44 HH21 ARG 44 9.499 -1.763 -11.044 349 HH22 ARG 44 HH22 ARG 44 9.468 -3.459 -10.662 350 H LEU 45 H LEU 45 4.327 0.260 -5.492 351 HA LEU 45 HA LEU 45 1.594 0.894 -4.484 352 HB2 LEU 45 HB2 LEU 45 2.373 -0.947 -3.144 353 HB3 LEU 45 HB3 LEU 45 3.980 -0.242 -2.998 354 HG LEU 45 HG LEU 45 3.075 1.588 -1.582 355 HD11 LEU 45 HD11 LEU 45 0.469 0.011 -1.710 356 HD12 LEU 45 HD12 LEU 45 0.725 1.651 -2.341 357 HD13 LEU 45 HD13 LEU 45 0.820 1.346 -0.602 358 HD21 LEU 45 HD21 LEU 45 2.425 -1.230 -0.637 359 HD22 LEU 45 HD22 LEU 45 2.677 0.189 0.405 360 HD23 LEU 45 HD23 LEU 45 4.014 -0.435 -0.570 361 H THR 46 H THR 46 1.316 3.020 -4.176 362 HA THR 46 HA THR 46 3.643 4.792 -3.616 363 HB THR 46 HB THR 46 2.913 6.429 -5.271 364 HG1 THR 46 HG1 THR 46 1.185 4.396 -6.215 365 HG21 THR 46 HG21 THR 46 4.662 4.810 -5.948 366 HG22 THR 46 HG22 THR 46 3.679 5.380 -7.307 367 HG23 THR 46 HG23 THR 46 3.409 3.757 -6.641 368 H TYR 47 H TYR 47 3.168 6.828 -2.794 369 HA TYR 47 HA TYR 47 0.424 7.531 -2.008 370 HB2 TYR 47 HB2 TYR 47 0.882 6.337 -0.064 371 HB3 TYR 47 HB3 TYR 47 2.585 6.768 -0.053 372 HD1 TYR 47 HD1 TYR 47 -0.833 8.300 0.342 373 HD2 TYR 47 HD2 TYR 47 3.367 8.512 1.302 374 HE1 TYR 47 HE1 TYR 47 -1.254 10.292 1.793 375 HE2 TYR 47 HE2 TYR 47 2.938 10.463 2.782 376 HH TYR 47 HH TYR 47 1.365 11.902 3.625 377 H LYS 48 H LYS 48 0.143 9.718 -1.812 378 HA LYS 48 HA LYS 48 0.427 11.847 -2.558 379 HB2 LYS 48 HB2 LYS 48 1.588 11.568 -0.184 380 HB3 LYS 48 HB3 LYS 48 3.055 11.940 -1.073 381 HG2 LYS 48 HG2 LYS 48 2.296 14.024 -0.256 382 HG3 LYS 48 HG3 LYS 48 1.780 14.034 -1.945 383 HD2 LYS 48 HD2 LYS 48 -0.510 13.177 -1.099 384 HD3 LYS 48 HD3 LYS 48 0.090 13.495 0.536 385 HE2 LYS 48 HE2 LYS 48 0.482 15.873 -0.087 386 HE3 LYS 48 HE3 LYS 48 -0.089 15.539 -1.726 387 HZ1 LYS 48 HZ1 LYS 48 -2.261 14.947 -0.766 388 HZ2 LYS 48 HZ2 LYS 48 -1.864 16.481 -0.384 389 HZ3 LYS 48 HZ3 LYS 48 -1.734 15.303 0.737 390 H GLY 49 H GLY 49 1.267 10.069 -4.515 391 HA2 GLY 49 HA2 GLY 49 2.150 10.184 -6.644 392 HA3 GLY 49 HA3 GLY 49 2.756 11.802 -6.294 393 H ARG 50 H ARG 50 3.840 9.366 -4.078 394 HA ARG 50 HA ARG 50 6.500 9.127 -5.431 395 HB2 ARG 50 HB2 ARG 50 6.321 10.932 -3.687 396 HB3 ARG 50 HB3 ARG 50 5.934 9.697 -2.488 397 HG2 ARG 50 HG2 ARG 50 8.159 8.669 -2.800 398 HG3 ARG 50 HG3 ARG 50 8.522 9.828 -4.102 399 HD2 ARG 50 HD2 ARG 50 8.242 11.698 -2.485 400 HD3 ARG 50 HD3 ARG 50 7.942 10.522 -1.189 401 HE ARG 50 HE ARG 50 10.404 9.805 -2.335 402 HH11 ARG 50 HH11 ARG 50 9.186 12.606 -0.614 403 HH12 ARG 50 HH12 ARG 50 10.764 13.042 -0.018 404 HH21 ARG 50 HH21 ARG 50 12.391 10.423 -1.541 405 HH22 ARG 50 HH22 ARG 50 12.524 11.831 -0.529 406 H ALA 51 H ALA 51 7.652 7.249 -5.108 407 HA ALA 51 HA ALA 51 6.213 4.879 -4.095 408 HB1 ALA 51 HB1 ALA 51 8.979 5.206 -5.332 409 HB2 ALA 51 HB2 ALA 51 8.180 3.668 -4.943 410 HB3 ALA 51 HB3 ALA 51 7.493 4.730 -6.188 411 H LEU 52 H LEU 52 6.281 4.332 -2.003 412 HA LEU 52 HA LEU 52 8.473 5.285 -0.221 413 HB2 LEU 52 HB2 LEU 52 5.679 4.209 0.237 414 HB3 LEU 52 HB3 LEU 52 6.898 4.113 1.502 415 HG LEU 52 HG LEU 52 7.211 6.524 1.519 416 HD11 LEU 52 HD11 LEU 52 4.993 6.624 -0.570 417 HD12 LEU 52 HD12 LEU 52 6.664 7.203 -0.754 418 HD13 LEU 52 HD13 LEU 52 5.581 8.019 0.365 419 HD21 LEU 52 HD21 LEU 52 5.519 5.442 2.969 420 HD22 LEU 52 HD22 LEU 52 4.281 5.720 1.723 421 HD23 LEU 52 HD23 LEU 52 5.062 7.095 2.539 422 H LYS 53 H LYS 53 9.980 3.979 0.589 423 HA LYS 53 HA LYS 53 9.697 1.107 0.899 424 HB2 LYS 53 HB2 LYS 53 10.337 1.472 -1.574 425 HB3 LYS 53 HB3 LYS 53 11.889 2.076 -0.992 426 HG2 LYS 53 HG2 LYS 53 12.278 -0.120 0.141 427 HG3 LYS 53 HG3 LYS 53 10.721 -0.703 -0.456 428 HD2 LYS 53 HD2 LYS 53 13.088 0.158 -2.182 429 HD3 LYS 53 HD3 LYS 53 12.677 -1.510 -1.761 430 HE2 LYS 53 HE2 LYS 53 10.468 -1.247 -2.893 431 HE3 LYS 53 HE3 LYS 53 10.917 0.398 -3.367 432 HZ1 LYS 53 HZ1 LYS 53 12.784 -0.548 -4.624 433 HZ2 LYS 53 HZ2 LYS 53 11.377 -1.182 -5.150 434 HZ3 LYS 53 HZ3 LYS 53 12.360 -2.066 -4.194 435 H ASP 54 H ASP 54 11.339 0.244 2.257 436 HA ASP 54 HA ASP 54 12.659 0.266 4.089 437 HB2 ASP 54 HB2 ASP 54 14.322 2.202 2.455 438 HB3 ASP 54 HB3 ASP 54 14.883 1.244 3.823 439 H THR 55 H THR 55 10.473 2.209 4.267 440 HA THR 55 HA THR 55 11.399 4.600 5.602 441 HB THR 55 HB THR 55 9.014 4.925 6.148 442 HG1 THR 55 HG1 THR 55 8.290 2.889 6.541 443 HG21 THR 55 HG21 THR 55 9.295 3.882 3.297 444 HG22 THR 55 HG22 THR 55 9.814 5.494 3.846 445 HG23 THR 55 HG23 THR 55 8.100 5.036 3.914 446 H GLU 56 H GLU 56 10.721 1.403 6.729 447 HA GLU 56 HA GLU 56 10.527 0.316 8.669 448 HB2 GLU 56 HB2 GLU 56 12.722 1.234 9.152 449 HB3 GLU 56 HB3 GLU 56 11.991 2.640 9.945 450 HG2 GLU 56 HG2 GLU 56 11.046 1.261 11.694 451 HG3 GLU 56 HG3 GLU 56 11.457 -0.221 10.820 452 H THR 57 H THR 57 9.539 3.712 9.165 453 HA THR 57 HA THR 57 6.849 2.847 9.922 454 HB THR 57 HB THR 57 7.784 2.744 12.117 455 HG1 THR 57 HG1 THR 57 6.490 4.211 13.085 456 HG21 THR 57 HG21 THR 57 8.853 5.578 11.745 457 HG22 THR 57 HG22 THR 57 9.839 4.107 11.875 458 HG23 THR 57 HG23 THR 57 8.863 4.641 13.249 459 H LEU 58 H LEU 58 5.302 4.434 9.566 460 HA LEU 58 HA LEU 58 5.992 6.662 7.837 461 HB2 LEU 58 HB2 LEU 58 3.457 5.750 9.247 462 HB3 LEU 58 HB3 LEU 58 3.526 7.296 8.429 463 HG LEU 58 HG LEU 58 2.467 5.625 7.051 464 HD11 LEU 58 HD11 LEU 58 5.134 6.402 5.813 465 HD12 LEU 58 HD12 LEU 58 3.734 7.486 5.987 466 HD13 LEU 58 HD13 LEU 58 3.619 6.038 4.975 467 HD21 LEU 58 HD21 LEU 58 5.128 4.167 6.855 468 HD22 LEU 58 HD22 LEU 58 3.612 3.768 6.029 469 HD23 LEU 58 HD23 LEU 58 3.718 3.607 7.790 470 H GLU 59 H GLU 59 5.974 6.307 11.312 471 HA GLU 59 HA GLU 59 5.680 9.094 11.998 472 HB2 GLU 59 HB2 GLU 59 5.421 7.178 13.541 473 HB3 GLU 59 HB3 GLU 59 7.164 6.877 13.462 474 HG2 GLU 59 HG2 GLU 59 7.640 9.052 14.468 475 HG3 GLU 59 HG3 GLU 59 5.934 9.505 14.394 476 H SER 60 H SER 60 8.367 7.321 10.600 477 HA SER 60 HA SER 60 10.450 9.249 11.211 478 HB2 SER 60 HB2 SER 60 10.875 6.896 10.555 479 HB3 SER 60 HB3 SER 60 10.234 7.239 8.937 480 HG SER 60 HG SER 60 12.544 7.382 9.079 481 H LEU 61 H LEU 61 8.081 8.896 8.584 482 HA LEU 61 HA LEU 61 9.057 11.274 7.121 483 HB2 LEU 61 HB2 LEU 61 6.618 9.517 6.639 484 HB3 LEU 61 HB3 LEU 61 7.277 10.729 5.544 485 HG LEU 61 HG LEU 61 8.590 8.089 6.328 486 HD11 LEU 61 HD11 LEU 61 6.717 7.911 4.733 487 HD12 LEU 61 HD12 LEU 61 8.264 7.548 3.949 488 HD13 LEU 61 HD13 LEU 61 7.484 9.121 3.682 489 HD21 LEU 61 HD21 LEU 61 9.610 10.281 4.465 490 HD22 LEU 61 HD22 LEU 61 10.304 8.649 4.615 491 HD23 LEU 61 HD23 LEU 61 10.364 9.755 5.989 492 H GLY 62 H GLY 62 6.703 10.531 9.535 493 HA2 GLY 62 HA2 GLY 62 5.621 12.232 10.890 494 HA3 GLY 62 HA3 GLY 62 5.500 13.273 9.476 495 H VAL 63 H VAL 63 3.780 11.240 11.428 496 HA VAL 63 HA VAL 63 2.030 9.936 9.486 497 HB VAL 63 HB VAL 63 0.660 9.361 11.530 498 HG11 VAL 63 HG11 VAL 63 2.257 7.806 10.552 499 HG12 VAL 63 HG12 VAL 63 3.567 8.516 11.516 500 HG13 VAL 63 HG13 VAL 63 2.235 7.660 12.316 501 HG21 VAL 63 HG21 VAL 63 1.614 9.593 13.736 502 HG22 VAL 63 HG22 VAL 63 3.038 10.436 13.108 503 HG23 VAL 63 HG23 VAL 63 1.436 11.207 13.035 504 H ALA 64 H ALA 64 -0.140 10.249 9.142 505 HA ALA 64 HA ALA 64 -1.655 12.380 10.401 506 HB1 ALA 64 HB1 ALA 64 -2.299 13.463 8.255 507 HB2 ALA 64 HB2 ALA 64 -0.570 13.653 8.589 508 HB3 ALA 64 HB3 ALA 64 -1.114 12.456 7.397 509 H ASP 65 H ASP 65 -3.977 12.259 9.710 510 HA ASP 65 HA ASP 65 -4.823 9.476 9.071 511 HB2 ASP 65 HB2 ASP 65 -6.305 11.849 10.241 512 HB3 ASP 65 HB3 ASP 65 -7.101 10.364 9.718 513 H GLY 66 H GLY 66 -6.270 8.969 7.488 514 HA2 GLY 66 HA2 GLY 66 -7.554 9.203 5.565 515 HA3 GLY 66 HA3 GLY 66 -7.241 10.940 5.535 516 H ASP 67 H ASP 67 -4.345 9.095 5.790 517 HA ASP 67 HA ASP 67 -3.336 9.854 3.225 518 HB2 ASP 67 HB2 ASP 67 -2.401 7.680 5.135 519 HB3 ASP 67 HB3 ASP 67 -1.513 8.220 3.715 520 H LYS 68 H LYS 68 -3.799 9.063 1.264 521 HA LYS 68 HA LYS 68 -5.033 6.372 1.059 522 HB2 LYS 68 HB2 LYS 68 -6.293 7.058 -0.769 523 HB3 LYS 68 HB3 LYS 68 -6.434 8.278 0.476 524 HG2 LYS 68 HG2 LYS 68 -6.147 9.728 -1.213 525 HG3 LYS 68 HG3 LYS 68 -4.431 9.410 -0.975 526 HD2 LYS 68 HD2 LYS 68 -4.677 7.554 -2.771 527 HD3 LYS 68 HD3 LYS 68 -6.335 8.106 -2.987 528 HE2 LYS 68 HE2 LYS 68 -5.043 9.112 -4.715 529 HE3 LYS 68 HE3 LYS 68 -5.478 10.387 -3.575 530 HZ1 LYS 68 HZ1 LYS 68 -3.128 10.487 -4.242 531 HZ2 LYS 68 HZ2 LYS 68 -2.850 8.993 -3.636 532 HZ3 LYS 68 HZ3 LYS 68 -3.242 10.226 -2.635 533 H PHE 69 H PHE 69 -3.890 4.795 0.428 534 HA PHE 69 HA PHE 69 -1.412 5.154 -1.158 535 HB2 PHE 69 HB2 PHE 69 -2.592 2.787 0.346 536 HB3 PHE 69 HB3 PHE 69 -1.080 2.757 -0.546 537 HD1 PHE 69 HD1 PHE 69 -2.797 4.228 2.432 538 HD2 PHE 69 HD2 PHE 69 0.953 3.693 0.367 539 HE1 PHE 69 HE1 PHE 69 -1.585 5.096 4.410 540 HE2 PHE 69 HE2 PHE 69 2.164 4.543 2.362 541 HZ PHE 69 HZ PHE 69 0.899 5.260 4.380 542 H VAL 70 H VAL 70 -1.305 4.687 -3.287 543 HA VAL 70 HA VAL 70 -3.597 3.273 -4.607 544 HB VAL 70 HB VAL 70 -1.428 5.018 -5.812 545 HG11 VAL 70 HG11 VAL 70 -2.761 4.809 -7.909 546 HG12 VAL 70 HG12 VAL 70 -2.056 3.271 -7.417 547 HG13 VAL 70 HG13 VAL 70 -3.785 3.587 -7.124 548 HG21 VAL 70 HG21 VAL 70 -3.148 6.315 -4.599 549 HG22 VAL 70 HG22 VAL 70 -3.312 6.535 -6.345 550 HG23 VAL 70 HG23 VAL 70 -4.431 5.458 -5.482 551 H LEU 71 H LEU 71 -3.334 1.295 -5.479 552 HA LEU 71 HA LEU 71 -0.586 0.166 -5.616 553 HB2 LEU 71 HB2 LEU 71 -1.660 -0.439 -3.510 554 HB3 LEU 71 HB3 LEU 71 -2.988 -1.211 -4.363 555 HG LEU 71 HG LEU 71 -0.151 -2.086 -4.987 556 HD11 LEU 71 HD11 LEU 71 -0.258 -1.988 -2.520 557 HD12 LEU 71 HD12 LEU 71 -0.126 -3.633 -3.125 558 HD13 LEU 71 HD13 LEU 71 -1.703 -3.020 -2.550 559 HD21 LEU 71 HD21 LEU 71 -1.212 -4.306 -5.209 560 HD22 LEU 71 HD22 LEU 71 -2.021 -3.137 -6.250 561 HD23 LEU 71 HD23 LEU 71 -2.779 -3.624 -4.720 562 H ILE 72 H ILE 72 -0.091 -0.706 -7.464 563 HA ILE 72 HA ILE 72 -2.248 -1.198 -9.490 564 HB ILE 72 HB ILE 72 0.574 -0.167 -9.909 565 HG12 ILE 72 HG12 ILE 72 -0.697 1.602 -8.862 566 HG13 ILE 72 HG13 ILE 72 -0.398 1.974 -10.547 567 HG21 ILE 72 HG21 ILE 72 -1.702 -0.632 -11.878 568 HG22 ILE 72 HG22 ILE 72 -0.230 0.292 -12.241 569 HG23 ILE 72 HG23 ILE 72 -0.113 -1.421 -11.847 570 HD11 ILE 72 HD11 ILE 72 -3.043 1.027 -9.365 571 HD12 ILE 72 HD12 ILE 72 -2.648 2.650 -9.945 572 HD13 ILE 72 HD13 ILE 72 -2.758 1.314 -11.101 573 H THR 73 H THR 73 -2.426 -3.235 -10.163 574 HA THR 73 HA THR 73 -0.198 -5.167 -9.900 575 HB THR 73 HB THR 73 -2.504 -5.877 -9.386 576 HG1 THR 73 HG1 THR 73 -1.479 -7.248 -11.643 577 HG21 THR 73 HG21 THR 73 -4.061 -6.460 -11.186 578 HG22 THR 73 HG22 THR 73 -3.019 -5.696 -12.393 579 HG23 THR 73 HG23 THR 73 -3.802 -4.708 -11.140 580 H ARG 74 H ARG 74 0.960 -6.013 -11.599 581 HA ARG 74 HA ARG 74 0.869 -4.641 -14.210 582 HB2 ARG 74 HB2 ARG 74 3.007 -5.421 -12.971 583 HB3 ARG 74 HB3 ARG 74 2.543 -7.059 -13.423 584 HG2 ARG 74 HG2 ARG 74 4.175 -6.293 -14.996 585 HG3 ARG 74 HG3 ARG 74 2.638 -6.342 -15.848 586 HD2 ARG 74 HD2 ARG 74 2.417 -3.831 -15.384 587 HD3 ARG 74 HD3 ARG 74 4.050 -3.871 -14.737 588 HE ARG 74 HE ARG 74 3.186 -4.028 -17.543 589 HH11 ARG 74 HH11 ARG 74 5.954 -4.583 -15.455 590 HH12 ARG 74 HH12 ARG 74 7.079 -4.453 -16.778 591 HH21 ARG 74 HH21 ARG 74 4.671 -3.863 -19.160 592 HH22 ARG 74 HH22 ARG 74 6.366 -4.054 -18.819 593 H THR 75 H THR 75 0.465 -5.726 -16.196 594 HA THR 75 HA THR 75 -1.197 -8.212 -16.055 595 HB THR 75 HB THR 75 -2.516 -7.410 -17.931 596 HG1 THR 75 HG1 THR 75 -1.340 -4.869 -17.524 597 HG21 THR 75 HG21 THR 75 -3.881 -5.747 -16.800 598 HG22 THR 75 HG22 THR 75 -2.579 -5.400 -15.641 599 HG23 THR 75 HG23 THR 75 -3.364 -6.993 -15.653 600 H VAL 76 H VAL 76 -1.305 -9.365 -18.191 601 HA VAL 76 HA VAL 76 1.222 -9.217 -19.738 602 HB VAL 76 HB VAL 76 1.612 -10.756 -17.878 603 HG11 VAL 76 HG11 VAL 76 -0.585 -12.512 -19.057 604 HG12 VAL 76 HG12 VAL 76 0.509 -12.925 -17.723 605 HG13 VAL 76 HG13 VAL 76 -0.678 -11.633 -17.513 606 HG21 VAL 76 HG21 VAL 76 2.501 -12.611 -19.143 607 HG22 VAL 76 HG22 VAL 76 1.448 -12.254 -20.522 608 HG23 VAL 76 HG23 VAL 76 2.738 -11.115 -20.058 609 H GLY 77 H GLY 77 1.131 -9.906 -21.821 610 HA2 GLY 77 HA2 GLY 77 -0.652 -11.429 -23.253 611 HA3 GLY 77 HA3 GLY 77 -1.482 -9.876 -23.131 Start of MODEL 7 1 HA MET 1 HA MET 1 -5.043 6.762 12.631 2 HB2 MET 1 HB2 MET 1 -7.488 8.467 12.006 3 HB3 MET 1 HB3 MET 1 -7.342 7.214 13.242 4 HG2 MET 1 HG2 MET 1 -5.400 8.665 14.185 5 HG3 MET 1 HG3 MET 1 -6.070 9.954 13.192 6 HE1 MET 1 HE1 MET 1 -7.153 10.933 16.874 7 HE2 MET 1 HE2 MET 1 -5.618 10.222 16.325 8 HE3 MET 1 HE3 MET 1 -6.388 11.528 15.388 9 H LYS 2 H LYS 2 -7.706 7.562 10.370 10 HA LYS 2 HA LYS 2 -7.654 4.826 9.208 11 HB2 LYS 2 HB2 LYS 2 -9.527 7.197 8.918 12 HB3 LYS 2 HB3 LYS 2 -9.518 5.886 7.738 13 HG2 LYS 2 HG2 LYS 2 -9.833 4.233 9.598 14 HG3 LYS 2 HG3 LYS 2 -10.077 5.584 10.714 15 HD2 LYS 2 HD2 LYS 2 -11.723 5.043 8.199 16 HD3 LYS 2 HD3 LYS 2 -12.193 4.499 9.798 17 HE2 LYS 2 HE2 LYS 2 -11.737 7.438 9.116 18 HE3 LYS 2 HE3 LYS 2 -13.290 6.633 8.902 19 HZ1 LYS 2 HZ1 LYS 2 -13.315 6.125 11.274 20 HZ2 LYS 2 HZ2 LYS 2 -13.180 7.733 11.052 21 HZ3 LYS 2 HZ3 LYS 2 -11.875 6.865 11.505 22 H ILE 3 H ILE 3 -7.280 4.351 7.134 23 HA ILE 3 HA ILE 3 -6.028 6.358 5.311 24 HB ILE 3 HB ILE 3 -5.027 3.551 5.953 25 HG12 ILE 3 HG12 ILE 3 -2.862 5.329 6.076 26 HG13 ILE 3 HG13 ILE 3 -4.162 6.299 6.743 27 HG21 ILE 3 HG21 ILE 3 -3.257 3.976 4.274 28 HG22 ILE 3 HG22 ILE 3 -4.851 3.861 3.542 29 HG23 ILE 3 HG23 ILE 3 -4.105 5.463 3.786 30 HD11 ILE 3 HD11 ILE 3 -3.244 3.548 7.666 31 HD12 ILE 3 HD12 ILE 3 -3.012 5.084 8.523 32 HD13 ILE 3 HD13 ILE 3 -4.642 4.397 8.357 33 H LYS 4 H LYS 4 -6.657 6.176 3.199 34 HA LYS 4 HA LYS 4 -8.711 4.110 2.512 35 HB2 LYS 4 HB2 LYS 4 -8.536 6.953 2.057 36 HB3 LYS 4 HB3 LYS 4 -8.489 6.154 0.489 37 HG2 LYS 4 HG2 LYS 4 -10.554 4.947 0.965 38 HG3 LYS 4 HG3 LYS 4 -10.570 5.560 2.633 39 HD2 LYS 4 HD2 LYS 4 -10.799 7.876 1.797 40 HD3 LYS 4 HD3 LYS 4 -10.806 7.281 0.124 41 HE2 LYS 4 HE2 LYS 4 -12.859 5.999 0.551 42 HE3 LYS 4 HE3 LYS 4 -12.815 6.439 2.263 43 HZ1 LYS 4 HZ1 LYS 4 -13.147 8.382 0.035 44 HZ2 LYS 4 HZ2 LYS 4 -13.136 8.759 1.626 45 HZ3 LYS 4 HZ3 LYS 4 -14.347 7.860 1.010 46 H ILE 5 H ILE 5 -7.937 2.353 1.552 47 HA ILE 5 HA ILE 5 -5.636 2.627 -0.319 48 HB ILE 5 HB ILE 5 -5.388 0.909 1.359 49 HG12 ILE 5 HG12 ILE 5 -5.684 -0.404 -1.372 50 HG13 ILE 5 HG13 ILE 5 -4.470 0.834 -1.055 51 HG21 ILE 5 HG21 ILE 5 -7.750 0.198 1.654 52 HG22 ILE 5 HG22 ILE 5 -7.741 -0.529 0.034 53 HG23 ILE 5 HG23 ILE 5 -6.698 -1.172 1.315 54 HD11 ILE 5 HD11 ILE 5 -3.478 -1.363 -0.822 55 HD12 ILE 5 HD12 ILE 5 -3.484 -0.530 0.744 56 HD13 ILE 5 HD13 ILE 5 -4.666 -1.822 0.413 57 H VAL 6 H VAL 6 -5.826 2.383 -2.456 58 HA VAL 6 HA VAL 6 -8.537 1.866 -3.629 59 HB VAL 6 HB VAL 6 -6.534 3.858 -4.729 60 HG11 VAL 6 HG11 VAL 6 -8.519 4.677 -5.935 61 HG12 VAL 6 HG12 VAL 6 -8.264 2.967 -6.285 62 HG13 VAL 6 HG13 VAL 6 -9.536 3.455 -5.143 63 HG21 VAL 6 HG21 VAL 6 -8.053 5.628 -3.800 64 HG22 VAL 6 HG22 VAL 6 -8.803 4.375 -2.783 65 HG23 VAL 6 HG23 VAL 6 -7.088 4.783 -2.589 66 HA PRO 7 HA PRO 7 -5.557 -0.957 -5.618 67 HB2 PRO 7 HB2 PRO 7 -6.766 -3.357 -5.243 68 HB3 PRO 7 HB3 PRO 7 -5.906 -2.513 -3.919 69 HG2 PRO 7 HG2 PRO 7 -8.887 -2.532 -4.492 70 HG3 PRO 7 HG3 PRO 7 -8.056 -2.802 -2.927 71 HD2 PRO 7 HD2 PRO 7 -9.087 -0.361 -3.706 72 HD3 PRO 7 HD3 PRO 7 -7.671 -0.525 -2.632 73 H ALA 8 H ALA 8 -5.457 -1.324 -7.728 74 HA ALA 8 HA ALA 8 -7.732 -0.948 -9.463 75 HB1 ALA 8 HB1 ALA 8 -6.044 -1.099 -11.231 76 HB2 ALA 8 HB2 ALA 8 -5.459 -0.072 -9.912 77 HB3 ALA 8 HB3 ALA 8 -4.855 -1.738 -10.074 78 H VAL 9 H VAL 9 -8.287 -3.232 -7.883 79 HA VAL 9 HA VAL 9 -8.722 -5.309 -9.900 80 HB VAL 9 HB VAL 9 -6.436 -5.798 -9.092 81 HG11 VAL 9 HG11 VAL 9 -6.036 -6.673 -6.847 82 HG12 VAL 9 HG12 VAL 9 -6.589 -5.001 -6.775 83 HG13 VAL 9 HG13 VAL 9 -7.713 -6.321 -6.374 84 HG21 VAL 9 HG21 VAL 9 -7.943 -7.632 -9.870 85 HG22 VAL 9 HG22 VAL 9 -6.683 -8.140 -8.742 86 HG23 VAL 9 HG23 VAL 9 -8.346 -7.970 -8.165 87 H GLY 10 H GLY 10 -10.240 -6.970 -9.186 88 HA2 GLY 10 HA2 GLY 10 -12.136 -7.726 -8.106 89 HA3 GLY 10 HA3 GLY 10 -11.558 -6.941 -6.636 90 H GLY 11 H GLY 11 -12.845 -5.365 -5.877 91 HA2 GLY 11 HA2 GLY 11 -15.117 -4.264 -7.269 92 HA3 GLY 11 HA3 GLY 11 -14.443 -3.716 -5.732 93 H GLY 12 H GLY 12 -11.733 -3.256 -7.174 94 HA2 GLY 12 HA2 GLY 12 -10.621 -1.577 -8.271 95 HA3 GLY 12 HA3 GLY 12 -12.057 -1.360 -9.264 96 H SER 13 H SER 13 -12.215 -0.877 -5.787 97 HA SER 13 HA SER 13 -12.780 2.025 -6.193 98 HB2 SER 13 HB2 SER 13 -14.800 1.668 -4.813 99 HB3 SER 13 HB3 SER 13 -14.822 0.698 -6.290 100 HG SER 13 HG SER 13 -15.455 -0.492 -4.421 101 HA PRO 14 HA PRO 14 -10.531 2.848 -2.474 102 HB2 PRO 14 HB2 PRO 14 -11.919 4.917 -1.301 103 HB3 PRO 14 HB3 PRO 14 -10.935 5.106 -2.783 104 HG2 PRO 14 HG2 PRO 14 -13.925 4.646 -2.602 105 HG3 PRO 14 HG3 PRO 14 -13.046 5.884 -3.559 106 HD2 PRO 14 HD2 PRO 14 -13.865 3.589 -4.702 107 HD3 PRO 14 HD3 PRO 14 -12.260 4.259 -5.102 108 H LEU 15 H LEU 15 -10.389 1.980 -0.502 109 HA LEU 15 HA LEU 15 -12.832 1.400 1.127 110 HB2 LEU 15 HB2 LEU 15 -10.434 -0.398 0.614 111 HB3 LEU 15 HB3 LEU 15 -11.627 -0.688 1.874 112 HG LEU 15 HG LEU 15 -12.286 -0.599 -1.108 113 HD11 LEU 15 HD11 LEU 15 -12.437 -3.046 -0.941 114 HD12 LEU 15 HD12 LEU 15 -11.889 -2.980 0.750 115 HD13 LEU 15 HD13 LEU 15 -10.801 -2.483 -0.566 116 HD21 LEU 15 HD21 LEU 15 -13.905 -1.537 1.308 117 HD22 LEU 15 HD22 LEU 15 -14.384 -1.724 -0.394 118 HD23 LEU 15 HD23 LEU 15 -14.249 -0.110 0.304 119 H GLU 16 H GLU 16 -12.753 2.340 3.038 120 HA GLU 16 HA GLU 16 -10.255 3.460 4.112 121 HB2 GLU 16 HB2 GLU 16 -11.605 4.479 5.794 122 HB3 GLU 16 HB3 GLU 16 -12.330 4.752 4.210 123 HG2 GLU 16 HG2 GLU 16 -13.900 2.790 4.719 124 HG3 GLU 16 HG3 GLU 16 -13.284 2.834 6.375 125 H LEU 17 H LEU 17 -9.110 2.751 5.848 126 HA LEU 17 HA LEU 17 -10.064 0.493 7.501 127 HB2 LEU 17 HB2 LEU 17 -8.591 -0.075 5.243 128 HB3 LEU 17 HB3 LEU 17 -7.293 0.265 6.371 129 HG LEU 17 HG LEU 17 -8.466 -1.441 7.956 130 HD11 LEU 17 HD11 LEU 17 -9.853 -3.141 6.808 131 HD12 LEU 17 HD12 LEU 17 -9.799 -2.189 5.308 132 HD13 LEU 17 HD13 LEU 17 -10.637 -1.556 6.737 133 HD21 LEU 17 HD21 LEU 17 -7.430 -3.359 6.786 134 HD22 LEU 17 HD22 LEU 17 -6.375 -1.938 6.773 135 HD23 LEU 17 HD23 LEU 17 -7.282 -2.381 5.309 136 H GLU 18 H GLU 18 -9.091 0.376 9.530 137 HA GLU 18 HA GLU 18 -7.425 2.673 10.419 138 HB2 GLU 18 HB2 GLU 18 -8.720 0.378 11.937 139 HB3 GLU 18 HB3 GLU 18 -7.719 1.645 12.666 140 HG2 GLU 18 HG2 GLU 18 -9.310 3.370 11.966 141 HG3 GLU 18 HG3 GLU 18 -10.293 2.171 11.118 142 H VAL 19 H VAL 19 -5.272 2.517 10.930 143 HA VAL 19 HA VAL 19 -3.952 -0.139 11.058 144 HB VAL 19 HB VAL 19 -2.810 2.043 9.297 145 HG11 VAL 19 HG11 VAL 19 -2.205 -0.937 9.531 146 HG12 VAL 19 HG12 VAL 19 -1.435 0.193 8.397 147 HG13 VAL 19 HG13 VAL 19 -1.187 0.394 10.124 148 HG21 VAL 19 HG21 VAL 19 -3.456 0.701 7.313 149 HG22 VAL 19 HG22 VAL 19 -4.419 -0.370 8.353 150 HG23 VAL 19 HG23 VAL 19 -4.866 1.342 8.149 151 H ALA 20 H ALA 20 -2.130 -0.205 12.339 152 HA ALA 20 HA ALA 20 -1.767 1.819 14.335 153 HB1 ALA 20 HB1 ALA 20 -1.453 -0.598 14.725 154 HB2 ALA 20 HB2 ALA 20 -0.083 -0.618 13.590 155 HB3 ALA 20 HB3 ALA 20 0.031 0.286 15.112 156 HA PRO 21 HA PRO 21 1.398 4.402 12.464 157 HB2 PRO 21 HB2 PRO 21 2.844 5.263 14.624 158 HB3 PRO 21 HB3 PRO 21 1.165 5.791 14.298 159 HG2 PRO 21 HG2 PRO 21 2.079 3.560 16.149 160 HG3 PRO 21 HG3 PRO 21 0.957 4.911 16.517 161 HD2 PRO 21 HD2 PRO 21 0.024 2.474 15.808 162 HD3 PRO 21 HD3 PRO 21 -0.768 3.959 15.206 163 H ASN 22 H ASN 22 2.303 1.616 14.374 164 HA ASN 22 HA ASN 22 5.084 1.462 13.577 165 HB2 ASN 22 HB2 ASN 22 3.101 -0.265 15.061 166 HB3 ASN 22 HB3 ASN 22 4.499 -1.058 14.371 167 HD21 ASN 22 HD21 ASN 22 6.307 -1.133 15.596 168 HD22 ASN 22 HD22 ASN 22 6.644 -0.031 16.924 169 H ALA 23 H ALA 23 2.565 1.348 11.479 170 HA ALA 23 HA ALA 23 2.906 -0.999 9.970 171 HB1 ALA 23 HB1 ALA 23 2.205 1.818 9.045 172 HB2 ALA 23 HB2 ALA 23 1.942 0.325 8.116 173 HB3 ALA 23 HB3 ALA 23 1.073 0.583 9.639 174 H THR 24 H THR 24 4.379 -1.765 8.633 175 HA THR 24 HA THR 24 6.732 -0.101 7.804 176 HB THR 24 HB THR 24 6.590 -3.097 8.300 177 HG1 THR 24 HG1 THR 24 7.775 -1.028 9.839 178 HG21 THR 24 HG21 THR 24 8.323 -2.689 6.693 179 HG22 THR 24 HG22 THR 24 9.108 -2.911 8.256 180 HG23 THR 24 HG23 THR 24 8.919 -1.274 7.588 181 H VAL 25 H VAL 25 7.152 0.060 5.653 182 HA VAL 25 HA VAL 25 5.196 -0.624 3.740 183 HB VAL 25 HB VAL 25 8.132 0.061 3.345 184 HG11 VAL 25 HG11 VAL 25 7.414 0.776 1.063 185 HG12 VAL 25 HG12 VAL 25 7.338 -0.968 1.275 186 HG13 VAL 25 HG13 VAL 25 5.844 0.000 1.327 187 HG21 VAL 25 HG21 VAL 25 6.735 1.812 4.493 188 HG22 VAL 25 HG22 VAL 25 7.322 2.317 2.912 189 HG23 VAL 25 HG23 VAL 25 5.630 1.792 3.107 190 H GLY 26 H GLY 26 8.220 -2.388 4.501 191 HA2 GLY 26 HA2 GLY 26 8.047 -4.396 2.504 192 HA3 GLY 26 HA3 GLY 26 8.840 -4.569 4.078 193 H ALA 27 H ALA 27 6.445 -4.241 5.715 194 HA ALA 27 HA ALA 27 5.362 -6.927 5.600 195 HB1 ALA 27 HB1 ALA 27 4.476 -4.503 7.234 196 HB2 ALA 27 HB2 ALA 27 4.020 -6.192 7.513 197 HB3 ALA 27 HB3 ALA 27 5.707 -5.693 7.719 198 H VAL 28 H VAL 28 4.019 -3.675 4.799 199 HA VAL 28 HA VAL 28 1.436 -4.587 3.950 200 HB VAL 28 HB VAL 28 3.028 -2.138 3.087 201 HG11 VAL 28 HG11 VAL 28 1.262 -2.566 1.425 202 HG12 VAL 28 HG12 VAL 28 0.058 -2.747 2.718 203 HG13 VAL 28 HG13 VAL 28 0.840 -1.178 2.421 204 HG21 VAL 28 HG21 VAL 28 0.788 -2.467 5.140 205 HG22 VAL 28 HG22 VAL 28 2.500 -2.193 5.515 206 HG23 VAL 28 HG23 VAL 28 1.578 -0.941 4.685 207 H ARG 29 H ARG 29 4.418 -4.016 2.038 208 HA ARG 29 HA ARG 29 3.397 -4.921 -0.483 209 HB2 ARG 29 HB2 ARG 29 5.380 -3.561 -0.263 210 HB3 ARG 29 HB3 ARG 29 6.215 -4.790 0.674 211 HG2 ARG 29 HG2 ARG 29 5.247 -5.603 -2.063 212 HG3 ARG 29 HG3 ARG 29 6.531 -4.403 -2.016 213 HD2 ARG 29 HD2 ARG 29 6.690 -7.076 -0.566 214 HD3 ARG 29 HD3 ARG 29 7.336 -6.778 -2.185 215 HE ARG 29 HE ARG 29 8.453 -4.762 -0.650 216 HH11 ARG 29 HH11 ARG 29 8.587 -8.259 -0.455 217 HH12 ARG 29 HH12 ARG 29 10.169 -8.243 0.271 218 HH21 ARG 29 HH21 ARG 29 10.460 -4.818 0.287 219 HH22 ARG 29 HH22 ARG 29 11.196 -6.343 0.677 220 H THR 30 H THR 30 5.080 -6.781 2.102 221 HA THR 30 HA THR 30 5.001 -9.293 0.726 222 HB THR 30 HB THR 30 5.003 -8.730 3.714 223 HG1 THR 30 HG1 THR 30 6.808 -7.956 2.793 224 HG21 THR 30 HG21 THR 30 5.621 -11.298 2.189 225 HG22 THR 30 HG22 THR 30 4.322 -11.059 3.383 226 HG23 THR 30 HG23 THR 30 6.011 -11.006 3.900 227 H LYS 31 H LYS 31 2.592 -7.810 2.956 228 HA LYS 31 HA LYS 31 0.735 -9.966 2.905 229 HB2 LYS 31 HB2 LYS 31 0.832 -7.886 4.442 230 HB3 LYS 31 HB3 LYS 31 0.036 -7.008 3.146 231 HG2 LYS 31 HG2 LYS 31 -1.605 -7.662 4.734 232 HG3 LYS 31 HG3 LYS 31 -1.892 -8.631 3.295 233 HD2 LYS 31 HD2 LYS 31 -0.093 -9.839 5.382 234 HD3 LYS 31 HD3 LYS 31 -1.756 -9.597 5.879 235 HE2 LYS 31 HE2 LYS 31 -1.079 -11.030 3.280 236 HE3 LYS 31 HE3 LYS 31 -1.086 -11.870 4.834 237 HZ1 LYS 31 HZ1 LYS 31 -3.429 -10.422 3.715 238 HZ2 LYS 31 HZ2 LYS 31 -3.398 -11.224 5.137 239 HZ3 LYS 31 HZ3 LYS 31 -3.241 -12.050 3.745 240 H VAL 32 H VAL 32 0.968 -7.101 0.770 241 HA VAL 32 HA VAL 32 -1.197 -7.741 -0.986 242 HB VAL 32 HB VAL 32 1.361 -6.160 -1.341 243 HG11 VAL 32 HG11 VAL 32 0.454 -5.327 -3.489 244 HG12 VAL 32 HG12 VAL 32 0.918 -7.011 -3.587 245 HG13 VAL 32 HG13 VAL 32 -0.805 -6.584 -3.435 246 HG21 VAL 32 HG21 VAL 32 -1.580 -5.350 -1.349 247 HG22 VAL 32 HG22 VAL 32 -0.499 -5.227 0.055 248 HG23 VAL 32 HG23 VAL 32 -0.172 -4.267 -1.391 249 H CYS 33 H CYS 33 2.311 -8.586 -1.396 250 HA CYS 33 HA CYS 33 1.919 -10.120 -3.741 251 HB2 CYS 33 HB2 CYS 33 4.048 -10.259 -1.567 252 HB3 CYS 33 HB3 CYS 33 4.141 -11.139 -3.107 253 HG CYS 33 HG CYS 33 4.004 -9.128 -4.685 254 H ALA 34 H ALA 34 1.677 -11.182 -0.327 255 HA ALA 34 HA ALA 34 1.251 -13.956 -0.898 256 HB1 ALA 34 HB1 ALA 34 0.421 -14.020 1.424 257 HB2 ALA 34 HB2 ALA 34 1.919 -13.079 1.302 258 HB3 ALA 34 HB3 ALA 34 0.358 -12.245 1.466 259 H MET 35 H MET 35 -1.126 -11.254 -0.470 260 HA MET 35 HA MET 35 -3.456 -12.921 -0.872 261 HB2 MET 35 HB2 MET 35 -3.018 -9.920 -1.136 262 HB3 MET 35 HB3 MET 35 -4.596 -10.707 -1.294 263 HG2 MET 35 HG2 MET 35 -4.338 -11.674 0.975 264 HG3 MET 35 HG3 MET 35 -2.836 -10.786 1.179 265 HE1 MET 35 HE1 MET 35 -4.143 -7.025 1.217 266 HE2 MET 35 HE2 MET 35 -2.712 -8.072 1.160 267 HE3 MET 35 HE3 MET 35 -3.732 -7.873 -0.283 268 H LYS 36 H LYS 36 -1.507 -10.956 -3.131 269 HA LYS 36 HA LYS 36 -3.166 -11.607 -5.464 270 HB2 LYS 36 HB2 LYS 36 -0.387 -10.385 -5.189 271 HB3 LYS 36 HB3 LYS 36 -1.270 -10.476 -6.703 272 HG2 LYS 36 HG2 LYS 36 -2.474 -9.011 -4.325 273 HG3 LYS 36 HG3 LYS 36 -1.232 -8.279 -5.313 274 HD2 LYS 36 HD2 LYS 36 -3.363 -7.507 -6.092 275 HD3 LYS 36 HD3 LYS 36 -2.604 -8.489 -7.330 276 HE2 LYS 36 HE2 LYS 36 -4.954 -8.977 -7.286 277 HE3 LYS 36 HE3 LYS 36 -4.072 -10.400 -6.753 278 HZ1 LYS 36 HZ1 LYS 36 -6.005 -9.937 -5.338 279 HZ2 LYS 36 HZ2 LYS 36 -5.442 -8.459 -4.949 280 HZ3 LYS 36 HZ3 LYS 36 -4.652 -9.795 -4.443 281 H LYS 37 H LYS 37 -0.709 -13.304 -3.825 282 HA LYS 37 HA LYS 37 0.543 -15.151 -4.221 283 HB2 LYS 37 HB2 LYS 37 -1.561 -15.792 -6.315 284 HB3 LYS 37 HB3 LYS 37 -0.401 -16.938 -5.643 285 HG2 LYS 37 HG2 LYS 37 -1.345 -16.734 -3.425 286 HG3 LYS 37 HG3 LYS 37 -2.458 -15.466 -3.933 287 HD2 LYS 37 HD2 LYS 37 -2.540 -18.330 -4.987 288 HD3 LYS 37 HD3 LYS 37 -3.497 -17.692 -3.656 289 HE2 LYS 37 HE2 LYS 37 -5.050 -17.376 -5.259 290 HE3 LYS 37 HE3 LYS 37 -4.214 -15.832 -5.412 291 HZ1 LYS 37 HZ1 LYS 37 -4.563 -16.883 -7.573 292 HZ2 LYS 37 HZ2 LYS 37 -3.773 -18.233 -7.122 293 HZ3 LYS 37 HZ3 LYS 37 -2.958 -16.825 -7.293 294 H LEU 38 H LEU 38 1.400 -12.801 -5.417 295 HA LEU 38 HA LEU 38 2.888 -13.622 -7.839 296 HB2 LEU 38 HB2 LEU 38 0.713 -11.513 -7.674 297 HB3 LEU 38 HB3 LEU 38 2.000 -11.346 -8.837 298 HG LEU 38 HG LEU 38 0.161 -13.770 -8.751 299 HD11 LEU 38 HD11 LEU 38 -1.100 -11.729 -9.272 300 HD12 LEU 38 HD12 LEU 38 -0.937 -12.756 -10.702 301 HD13 LEU 38 HD13 LEU 38 0.077 -11.303 -10.535 302 HD21 LEU 38 HD21 LEU 38 2.323 -14.221 -9.872 303 HD22 LEU 38 HD22 LEU 38 2.117 -12.763 -10.871 304 HD23 LEU 38 HD23 LEU 38 1.012 -14.143 -11.047 305 HA PRO 39 HA PRO 39 6.029 -11.174 -6.073 306 HB2 PRO 39 HB2 PRO 39 7.638 -10.536 -8.199 307 HB3 PRO 39 HB3 PRO 39 7.375 -12.218 -7.651 308 HG2 PRO 39 HG2 PRO 39 5.915 -10.741 -9.873 309 HG3 PRO 39 HG3 PRO 39 6.731 -12.337 -9.963 310 HD2 PRO 39 HD2 PRO 39 4.069 -12.146 -9.520 311 HD3 PRO 39 HD3 PRO 39 5.049 -13.375 -8.668 312 HA PRO 40 HA PRO 40 5.371 -6.763 -6.297 313 HB2 PRO 40 HB2 PRO 40 7.788 -5.682 -5.607 314 HB3 PRO 40 HB3 PRO 40 6.739 -6.575 -4.466 315 HG2 PRO 40 HG2 PRO 40 9.088 -7.656 -6.063 316 HG3 PRO 40 HG3 PRO 40 8.784 -7.817 -4.301 317 HD2 PRO 40 HD2 PRO 40 8.101 -9.783 -6.033 318 HD3 PRO 40 HD3 PRO 40 7.046 -9.381 -4.649 319 H ASP 41 H ASP 41 7.357 -8.289 -8.625 320 HA ASP 41 HA ASP 41 7.857 -5.915 -10.281 321 HB2 ASP 41 HB2 ASP 41 8.042 -8.912 -10.703 322 HB3 ASP 41 HB3 ASP 41 8.147 -7.799 -12.060 323 H THR 42 H THR 42 5.177 -8.261 -9.950 324 HA THR 42 HA THR 42 3.828 -7.102 -12.338 325 HB THR 42 HB THR 42 2.157 -8.898 -11.984 326 HG1 THR 42 HG1 THR 42 2.508 -9.289 -9.786 327 HG21 THR 42 HG21 THR 42 5.029 -9.893 -12.202 328 HG22 THR 42 HG22 THR 42 4.053 -9.233 -13.536 329 HG23 THR 42 HG23 THR 42 3.567 -10.744 -12.743 330 H THR 43 H THR 43 3.674 -6.850 -8.851 331 HA THR 43 HA THR 43 1.366 -4.982 -9.171 332 HB THR 43 HB THR 43 1.611 -7.091 -7.012 333 HG1 THR 43 HG1 THR 43 -0.107 -7.956 -7.989 334 HG21 THR 43 HG21 THR 43 0.668 -5.015 -6.030 335 HG22 THR 43 HG22 THR 43 -0.582 -6.246 -6.219 336 HG23 THR 43 HG23 THR 43 -0.494 -4.910 -7.372 337 H ARG 44 H ARG 44 1.598 -3.070 -8.216 338 HA ARG 44 HA ARG 44 3.869 -2.589 -6.327 339 HB2 ARG 44 HB2 ARG 44 3.296 -1.259 -8.999 340 HB3 ARG 44 HB3 ARG 44 4.166 -0.393 -7.749 341 HG2 ARG 44 HG2 ARG 44 5.068 -3.047 -8.944 342 HG3 ARG 44 HG3 ARG 44 5.632 -1.443 -9.425 343 HD2 ARG 44 HD2 ARG 44 6.319 -1.090 -6.960 344 HD3 ARG 44 HD3 ARG 44 6.040 -2.818 -6.746 345 HE ARG 44 HE ARG 44 7.881 -3.337 -8.077 346 HH11 ARG 44 HH11 ARG 44 7.456 0.151 -8.141 347 HH12 ARG 44 HH12 ARG 44 9.050 0.429 -8.785 348 HH21 ARG 44 HH21 ARG 44 9.929 -2.892 -8.862 349 HH22 ARG 44 HH22 ARG 44 10.406 -1.248 -9.176 350 H LEU 45 H LEU 45 3.835 -0.586 -5.246 351 HA LEU 45 HA LEU 45 1.108 0.474 -4.646 352 HB2 LEU 45 HB2 LEU 45 1.854 -1.226 -2.989 353 HB3 LEU 45 HB3 LEU 45 3.361 -0.355 -2.773 354 HG LEU 45 HG LEU 45 2.115 1.581 -1.802 355 HD11 LEU 45 HD11 LEU 45 -0.103 1.260 -2.814 356 HD12 LEU 45 HD12 LEU 45 -0.227 1.188 -1.056 357 HD13 LEU 45 HD13 LEU 45 -0.276 -0.307 -1.989 358 HD21 LEU 45 HD21 LEU 45 3.094 -0.167 -0.363 359 HD22 LEU 45 HD22 LEU 45 1.588 -1.105 -0.472 360 HD23 LEU 45 HD23 LEU 45 1.602 0.480 0.334 361 H THR 46 H THR 46 0.956 2.659 -4.489 362 HA THR 46 HA THR 46 3.426 4.260 -3.986 363 HB THR 46 HB THR 46 2.669 6.011 -5.515 364 HG1 THR 46 HG1 THR 46 0.488 5.535 -5.701 365 HG21 THR 46 HG21 THR 46 2.992 3.358 -6.966 366 HG22 THR 46 HG22 THR 46 4.321 4.335 -6.297 367 HG23 THR 46 HG23 THR 46 3.317 4.982 -7.607 368 H TYR 47 H TYR 47 3.182 6.203 -2.972 369 HA TYR 47 HA TYR 47 0.575 6.863 -1.689 370 HB2 TYR 47 HB2 TYR 47 1.650 5.522 -0.042 371 HB3 TYR 47 HB3 TYR 47 3.220 6.236 -0.346 372 HD1 TYR 47 HD1 TYR 47 -0.226 7.380 0.699 373 HD2 TYR 47 HD2 TYR 47 4.027 7.772 1.239 374 HE1 TYR 47 HE1 TYR 47 -0.600 9.090 2.463 375 HE2 TYR 47 HE2 TYR 47 3.645 9.413 3.072 376 HH TYR 47 HH TYR 47 0.352 10.327 4.143 377 H LYS 48 H LYS 48 0.178 8.986 -1.793 378 HA LYS 48 HA LYS 48 0.399 11.198 -2.327 379 HB2 LYS 48 HB2 LYS 48 1.194 10.688 0.065 380 HB3 LYS 48 HB3 LYS 48 2.808 11.102 -0.481 381 HG2 LYS 48 HG2 LYS 48 2.198 13.369 -0.904 382 HG3 LYS 48 HG3 LYS 48 0.470 13.007 -0.943 383 HD2 LYS 48 HD2 LYS 48 2.187 12.795 1.565 384 HD3 LYS 48 HD3 LYS 48 1.236 14.221 1.118 385 HE2 LYS 48 HE2 LYS 48 -0.847 12.870 1.134 386 HE3 LYS 48 HE3 LYS 48 0.083 11.432 1.560 387 HZ1 LYS 48 HZ1 LYS 48 -0.793 12.270 3.562 388 HZ2 LYS 48 HZ2 LYS 48 -0.316 13.822 3.261 389 HZ3 LYS 48 HZ3 LYS 48 0.781 12.648 3.603 390 H GLY 49 H GLY 49 1.497 9.745 -4.383 391 HA2 GLY 49 HA2 GLY 49 2.434 10.305 -6.422 392 HA3 GLY 49 HA3 GLY 49 3.110 11.771 -5.727 393 H ARG 50 H ARG 50 4.048 8.951 -3.950 394 HA ARG 50 HA ARG 50 6.527 8.531 -5.556 395 HB2 ARG 50 HB2 ARG 50 7.894 8.669 -3.483 396 HB3 ARG 50 HB3 ARG 50 7.185 10.200 -3.986 397 HG2 ARG 50 HG2 ARG 50 5.462 10.046 -2.265 398 HG3 ARG 50 HG3 ARG 50 6.037 8.437 -1.775 399 HD2 ARG 50 HD2 ARG 50 8.145 9.376 -1.012 400 HD3 ARG 50 HD3 ARG 50 7.720 10.968 -1.680 401 HE ARG 50 HE ARG 50 5.680 10.170 0.141 402 HH11 ARG 50 HH11 ARG 50 9.010 11.241 0.290 403 HH12 ARG 50 HH12 ARG 50 8.797 11.995 1.847 404 HH21 ARG 50 HH21 ARG 50 5.469 11.177 2.121 405 HH22 ARG 50 HH22 ARG 50 6.846 11.944 2.853 406 H ALA 51 H ALA 51 7.716 6.675 -5.150 407 HA ALA 51 HA ALA 51 6.176 4.330 -4.192 408 HB1 ALA 51 HB1 ALA 51 7.326 4.177 -6.351 409 HB2 ALA 51 HB2 ALA 51 8.879 4.577 -5.582 410 HB3 ALA 51 HB3 ALA 51 8.045 3.061 -5.175 411 H LEU 52 H LEU 52 6.133 4.391 -1.992 412 HA LEU 52 HA LEU 52 8.350 5.114 -0.290 413 HB2 LEU 52 HB2 LEU 52 5.551 4.480 -0.028 414 HB3 LEU 52 HB3 LEU 52 6.407 3.327 0.964 415 HG LEU 52 HG LEU 52 7.523 5.184 2.178 416 HD11 LEU 52 HD11 LEU 52 6.563 7.519 1.846 417 HD12 LEU 52 HD12 LEU 52 5.877 6.934 0.307 418 HD13 LEU 52 HD13 LEU 52 7.630 6.971 0.557 419 HD21 LEU 52 HD21 LEU 52 5.385 4.278 3.000 420 HD22 LEU 52 HD22 LEU 52 4.487 5.436 2.001 421 HD23 LEU 52 HD23 LEU 52 5.503 6.007 3.345 422 H LYS 53 H LYS 53 9.874 3.891 0.729 423 HA LYS 53 HA LYS 53 9.778 1.036 1.000 424 HB2 LYS 53 HB2 LYS 53 10.615 1.640 -1.501 425 HB3 LYS 53 HB3 LYS 53 12.162 1.827 -0.682 426 HG2 LYS 53 HG2 LYS 53 11.964 -0.479 0.205 427 HG3 LYS 53 HG3 LYS 53 10.361 -0.641 -0.515 428 HD2 LYS 53 HD2 LYS 53 12.977 -0.327 -2.060 429 HD3 LYS 53 HD3 LYS 53 12.097 -1.820 -1.772 430 HE2 LYS 53 HE2 LYS 53 11.283 -1.414 -3.838 431 HE3 LYS 53 HE3 LYS 53 10.069 -0.538 -2.907 432 HZ1 LYS 53 HZ1 LYS 53 11.343 1.520 -3.378 433 HZ2 LYS 53 HZ2 LYS 53 10.918 0.782 -4.768 434 HZ3 LYS 53 HZ3 LYS 53 12.451 0.670 -4.230 435 H ASP 54 H ASP 54 11.489 0.194 2.279 436 HA ASP 54 HA ASP 54 12.935 0.159 3.995 437 HB2 ASP 54 HB2 ASP 54 14.303 0.606 1.921 438 HB3 ASP 54 HB3 ASP 54 14.433 2.285 2.439 439 H THR 55 H THR 55 10.744 2.018 4.504 440 HA THR 55 HA THR 55 11.838 4.312 5.941 441 HB THR 55 HB THR 55 9.491 4.817 6.442 442 HG1 THR 55 HG1 THR 55 8.538 2.861 6.690 443 HG21 THR 55 HG21 THR 55 9.644 3.896 3.547 444 HG22 THR 55 HG22 THR 55 10.472 5.349 4.148 445 HG23 THR 55 HG23 THR 55 8.703 5.231 4.240 446 H GLU 56 H GLU 56 10.919 1.112 6.849 447 HA GLU 56 HA GLU 56 10.541 -0.052 8.725 448 HB2 GLU 56 HB2 GLU 56 12.232 2.049 10.094 449 HB3 GLU 56 HB3 GLU 56 11.611 0.580 10.861 450 HG2 GLU 56 HG2 GLU 56 12.742 -0.809 9.146 451 HG3 GLU 56 HG3 GLU 56 13.432 0.645 8.419 452 H THR 57 H THR 57 9.815 3.389 9.459 453 HA THR 57 HA THR 57 7.078 2.611 10.165 454 HB THR 57 HB THR 57 8.006 2.348 12.352 455 HG1 THR 57 HG1 THR 57 6.098 3.503 12.422 456 HG21 THR 57 HG21 THR 57 10.138 3.584 12.162 457 HG22 THR 57 HG22 THR 57 9.197 4.141 13.553 458 HG23 THR 57 HG23 THR 57 9.245 5.119 12.075 459 H LEU 58 H LEU 58 5.598 4.201 9.833 460 HA LEU 58 HA LEU 58 6.372 6.523 8.298 461 HB2 LEU 58 HB2 LEU 58 4.269 5.182 8.020 462 HB3 LEU 58 HB3 LEU 58 3.714 5.776 9.583 463 HG LEU 58 HG LEU 58 3.659 8.100 8.682 464 HD11 LEU 58 HD11 LEU 58 5.380 7.988 6.934 465 HD12 LEU 58 HD12 LEU 58 3.832 8.427 6.212 466 HD13 LEU 58 HD13 LEU 58 4.439 6.764 6.047 467 HD21 LEU 58 HD21 LEU 58 1.730 7.782 7.204 468 HD22 LEU 58 HD22 LEU 58 1.658 6.645 8.558 469 HD23 LEU 58 HD23 LEU 58 2.169 6.079 6.956 470 H GLU 59 H GLU 59 5.983 5.982 11.749 471 HA GLU 59 HA GLU 59 5.354 8.694 12.496 472 HB2 GLU 59 HB2 GLU 59 4.932 6.669 13.877 473 HB3 GLU 59 HB3 GLU 59 6.679 6.511 14.146 474 HG2 GLU 59 HG2 GLU 59 6.729 8.668 15.308 475 HG3 GLU 59 HG3 GLU 59 5.052 8.991 14.858 476 H SER 60 H SER 60 8.463 7.075 11.943 477 HA SER 60 HA SER 60 10.143 9.179 12.972 478 HB2 SER 60 HB2 SER 60 10.924 6.889 12.537 479 HB3 SER 60 HB3 SER 60 10.663 7.115 10.795 480 HG SER 60 HG SER 60 12.859 7.458 11.478 481 H LEU 61 H LEU 61 8.557 8.683 9.856 482 HA LEU 61 HA LEU 61 9.703 11.110 8.621 483 HB2 LEU 61 HB2 LEU 61 7.603 9.113 7.686 484 HB3 LEU 61 HB3 LEU 61 8.255 10.419 6.706 485 HG LEU 61 HG LEU 61 9.923 8.113 7.822 486 HD11 LEU 61 HD11 LEU 61 8.812 8.591 5.026 487 HD12 LEU 61 HD12 LEU 61 8.305 7.323 6.166 488 HD13 LEU 61 HD13 LEU 61 9.944 7.308 5.499 489 HD21 LEU 61 HD21 LEU 61 11.289 10.123 7.399 490 HD22 LEU 61 HD22 LEU 61 10.585 10.281 5.773 491 HD23 LEU 61 HD23 LEU 61 11.614 8.890 6.181 492 H GLY 62 H GLY 62 7.311 10.621 10.870 493 HA2 GLY 62 HA2 GLY 62 5.725 12.088 11.741 494 HA3 GLY 62 HA3 GLY 62 5.846 13.119 10.320 495 H VAL 63 H VAL 63 3.909 10.951 11.927 496 HA VAL 63 HA VAL 63 2.377 9.837 9.694 497 HB VAL 63 HB VAL 63 0.630 9.431 11.509 498 HG11 VAL 63 HG11 VAL 63 3.371 8.182 11.802 499 HG12 VAL 63 HG12 VAL 63 1.858 7.525 12.458 500 HG13 VAL 63 HG13 VAL 63 2.076 7.671 10.707 501 HG21 VAL 63 HG21 VAL 63 1.282 9.502 13.824 502 HG22 VAL 63 HG22 VAL 63 2.892 10.121 13.427 503 HG23 VAL 63 HG23 VAL 63 1.453 11.133 13.156 504 H ALA 64 H ALA 64 0.192 10.335 9.227 505 HA ALA 64 HA ALA 64 -0.856 13.007 9.930 506 HB1 ALA 64 HB1 ALA 64 -1.312 13.516 7.561 507 HB2 ALA 64 HB2 ALA 64 0.423 13.312 7.833 508 HB3 ALA 64 HB3 ALA 64 -0.509 12.009 7.067 509 H ASP 65 H ASP 65 -3.151 12.957 8.367 510 HA ASP 65 HA ASP 65 -4.521 10.400 8.928 511 HB2 ASP 65 HB2 ASP 65 -4.770 11.971 10.923 512 HB3 ASP 65 HB3 ASP 65 -5.678 13.054 9.862 513 H GLY 66 H GLY 66 -6.473 10.043 7.786 514 HA2 GLY 66 HA2 GLY 66 -7.769 10.081 5.878 515 HA3 GLY 66 HA3 GLY 66 -7.439 11.810 5.709 516 H ASP 67 H ASP 67 -4.754 9.574 5.835 517 HA ASP 67 HA ASP 67 -3.656 10.296 3.284 518 HB2 ASP 67 HB2 ASP 67 -3.106 8.047 5.254 519 HB3 ASP 67 HB3 ASP 67 -2.204 8.224 3.759 520 H LYS 68 H LYS 68 -3.316 9.035 1.417 521 HA LYS 68 HA LYS 68 -5.120 6.734 1.014 522 HB2 LYS 68 HB2 LYS 68 -5.954 7.543 -1.094 523 HB3 LYS 68 HB3 LYS 68 -6.349 8.657 0.214 524 HG2 LYS 68 HG2 LYS 68 -4.378 10.093 -0.503 525 HG3 LYS 68 HG3 LYS 68 -4.169 9.010 -1.894 526 HD2 LYS 68 HD2 LYS 68 -6.477 9.541 -2.649 527 HD3 LYS 68 HD3 LYS 68 -6.674 10.627 -1.253 528 HE2 LYS 68 HE2 LYS 68 -4.710 11.959 -2.050 529 HE3 LYS 68 HE3 LYS 68 -4.587 10.906 -3.465 530 HZ1 LYS 68 HZ1 LYS 68 -5.838 12.922 -3.974 531 HZ2 LYS 68 HZ2 LYS 68 -6.930 12.614 -2.803 532 HZ3 LYS 68 HZ3 LYS 68 -6.830 11.635 -4.109 533 H PHE 69 H PHE 69 -4.484 5.150 -0.215 534 HA PHE 69 HA PHE 69 -1.706 5.190 -1.361 535 HB2 PHE 69 HB2 PHE 69 -3.073 3.188 0.475 536 HB3 PHE 69 HB3 PHE 69 -1.722 2.753 -0.541 537 HD1 PHE 69 HD1 PHE 69 -2.631 5.339 2.057 538 HD2 PHE 69 HD2 PHE 69 0.444 2.848 0.357 539 HE1 PHE 69 HE1 PHE 69 -1.068 6.040 3.852 540 HE2 PHE 69 HE2 PHE 69 1.999 3.540 2.157 541 HZ PHE 69 HZ PHE 69 1.249 5.142 3.906 542 H VAL 70 H VAL 70 -1.476 4.205 -3.333 543 HA VAL 70 HA VAL 70 -3.961 3.046 -4.574 544 HB VAL 70 HB VAL 70 -1.811 4.707 -5.917 545 HG11 VAL 70 HG11 VAL 70 -4.400 3.508 -7.004 546 HG12 VAL 70 HG12 VAL 70 -3.344 4.645 -7.871 547 HG13 VAL 70 HG13 VAL 70 -2.749 3.035 -7.466 548 HG21 VAL 70 HG21 VAL 70 -4.714 5.359 -5.239 549 HG22 VAL 70 HG22 VAL 70 -3.273 6.116 -4.526 550 HG23 VAL 70 HG23 VAL 70 -3.636 6.361 -6.234 551 H LEU 71 H LEU 71 -3.851 1.032 -5.242 552 HA LEU 71 HA LEU 71 -1.169 -0.243 -5.562 553 HB2 LEU 71 HB2 LEU 71 -2.932 -1.124 -3.805 554 HB3 LEU 71 HB3 LEU 71 -3.738 -1.777 -5.228 555 HG LEU 71 HG LEU 71 -1.433 -2.829 -5.833 556 HD11 LEU 71 HD11 LEU 71 -0.205 -1.519 -4.064 557 HD12 LEU 71 HD12 LEU 71 0.028 -3.256 -3.945 558 HD13 LEU 71 HD13 LEU 71 -1.087 -2.435 -2.826 559 HD21 LEU 71 HD21 LEU 71 -3.400 -4.135 -5.156 560 HD22 LEU 71 HD22 LEU 71 -3.047 -3.815 -3.442 561 HD23 LEU 71 HD23 LEU 71 -1.931 -4.790 -4.427 562 H ILE 72 H ILE 72 -0.548 -0.837 -7.502 563 HA ILE 72 HA ILE 72 -2.526 -1.003 -9.743 564 HB ILE 72 HB ILE 72 -0.734 -0.252 -11.246 565 HG12 ILE 72 HG12 ILE 72 0.815 0.565 -8.745 566 HG13 ILE 72 HG13 ILE 72 1.206 -0.830 -9.753 567 HG21 ILE 72 HG21 ILE 72 -1.376 1.782 -9.072 568 HG22 ILE 72 HG22 ILE 72 -1.017 2.113 -10.779 569 HG23 ILE 72 HG23 ILE 72 -2.503 1.266 -10.345 570 HD11 ILE 72 HD11 ILE 72 2.656 1.006 -10.337 571 HD12 ILE 72 HD12 ILE 72 1.574 0.660 -11.700 572 HD13 ILE 72 HD13 ILE 72 1.279 2.071 -10.653 573 H THR 73 H THR 73 -2.246 -2.618 -11.275 574 HA THR 73 HA THR 73 -0.215 -4.704 -10.733 575 HB THR 73 HB THR 73 -2.184 -5.298 -9.378 576 HG1 THR 73 HG1 THR 73 -1.002 -6.965 -10.022 577 HG21 THR 73 HG21 THR 73 -4.010 -4.412 -10.821 578 HG22 THR 73 HG22 THR 73 -4.226 -6.121 -10.422 579 HG23 THR 73 HG23 THR 73 -3.646 -5.660 -12.034 580 H ARG 74 H ARG 74 0.282 -6.037 -12.410 581 HA ARG 74 HA ARG 74 -0.537 -5.141 -15.152 582 HB2 ARG 74 HB2 ARG 74 1.581 -4.067 -14.210 583 HB3 ARG 74 HB3 ARG 74 2.295 -5.679 -14.161 584 HG2 ARG 74 HG2 ARG 74 1.774 -5.806 -16.697 585 HG3 ARG 74 HG3 ARG 74 1.404 -4.077 -16.594 586 HD2 ARG 74 HD2 ARG 74 3.707 -3.746 -15.576 587 HD3 ARG 74 HD3 ARG 74 4.055 -5.442 -15.911 588 HE ARG 74 HE ARG 74 4.125 -3.229 -17.756 589 HH11 ARG 74 HH11 ARG 74 3.329 -6.667 -17.850 590 HH12 ARG 74 HH12 ARG 74 3.889 -6.807 -19.490 591 HH21 ARG 74 HH21 ARG 74 4.776 -3.525 -19.837 592 HH22 ARG 74 HH22 ARG 74 4.665 -5.097 -20.573 593 H THR 75 H THR 75 -1.029 -6.755 -16.476 594 HA THR 75 HA THR 75 -0.608 -9.565 -15.759 595 HB THR 75 HB THR 75 -1.650 -10.103 -17.892 596 HG1 THR 75 HG1 THR 75 -2.068 -7.341 -18.310 597 HG21 THR 75 HG21 THR 75 -3.881 -9.201 -17.474 598 HG22 THR 75 HG22 THR 75 -3.212 -7.957 -16.392 599 HG23 THR 75 HG23 THR 75 -3.102 -9.675 -15.954 600 H VAL 76 H VAL 76 0.579 -11.113 -16.987 601 HA VAL 76 HA VAL 76 3.079 -10.055 -18.197 602 HB VAL 76 HB VAL 76 2.309 -12.900 -17.468 603 HG11 VAL 76 HG11 VAL 76 3.957 -12.862 -19.313 604 HG12 VAL 76 HG12 VAL 76 4.963 -11.708 -18.408 605 HG13 VAL 76 HG13 VAL 76 4.728 -13.364 -17.808 606 HG21 VAL 76 HG21 VAL 76 3.990 -12.597 -15.661 607 HG22 VAL 76 HG22 VAL 76 4.173 -10.889 -16.119 608 HG23 VAL 76 HG23 VAL 76 2.632 -11.486 -15.468 609 H GLY 77 H GLY 77 2.605 -9.307 -20.167 610 HA2 GLY 77 HA2 GLY 77 2.396 -10.905 -22.462 611 HA3 GLY 77 HA3 GLY 77 0.747 -10.422 -22.047 Start of MODEL 8 1 HA MET 1 HA MET 1 -4.568 6.012 12.625 2 HB2 MET 1 HB2 MET 1 -6.784 8.057 12.274 3 HB3 MET 1 HB3 MET 1 -6.725 6.748 13.507 4 HG2 MET 1 HG2 MET 1 -4.537 8.813 13.325 5 HG3 MET 1 HG3 MET 1 -6.078 9.163 14.185 6 HE1 MET 1 HE1 MET 1 -3.512 8.672 17.100 7 HE2 MET 1 HE2 MET 1 -4.735 9.756 16.349 8 HE3 MET 1 HE3 MET 1 -3.195 9.406 15.489 9 H LYS 2 H LYS 2 -7.133 7.208 10.420 10 HA LYS 2 HA LYS 2 -7.519 4.469 9.263 11 HB2 LYS 2 HB2 LYS 2 -9.158 7.012 9.256 12 HB3 LYS 2 HB3 LYS 2 -9.330 5.868 7.935 13 HG2 LYS 2 HG2 LYS 2 -10.470 4.368 9.126 14 HG3 LYS 2 HG3 LYS 2 -9.414 4.468 10.527 15 HD2 LYS 2 HD2 LYS 2 -11.483 6.604 9.860 16 HD3 LYS 2 HD3 LYS 2 -11.869 5.195 10.845 17 HE2 LYS 2 HE2 LYS 2 -9.610 7.131 11.534 18 HE3 LYS 2 HE3 LYS 2 -11.268 7.339 12.099 19 HZ1 LYS 2 HZ1 LYS 2 -9.610 4.942 12.678 20 HZ2 LYS 2 HZ2 LYS 2 -11.139 5.190 13.194 21 HZ3 LYS 2 HZ3 LYS 2 -9.937 6.143 13.736 22 H ILE 3 H ILE 3 -7.035 4.025 7.209 23 HA ILE 3 HA ILE 3 -5.892 6.123 5.446 24 HB ILE 3 HB ILE 3 -4.163 4.682 4.625 25 HG12 ILE 3 HG12 ILE 3 -3.605 2.587 6.152 26 HG13 ILE 3 HG13 ILE 3 -5.343 2.544 6.402 27 HG21 ILE 3 HG21 ILE 3 -4.006 4.742 7.653 28 HG22 ILE 3 HG22 ILE 3 -2.658 4.751 6.500 29 HG23 ILE 3 HG23 ILE 3 -3.756 6.140 6.602 30 HD11 ILE 3 HD11 ILE 3 -4.576 1.057 4.573 31 HD12 ILE 3 HD12 ILE 3 -5.662 2.294 3.933 32 HD13 ILE 3 HD13 ILE 3 -3.905 2.447 3.702 33 H LYS 4 H LYS 4 -6.093 5.641 3.178 34 HA LYS 4 HA LYS 4 -8.404 3.813 2.571 35 HB2 LYS 4 HB2 LYS 4 -8.841 6.303 2.690 36 HB3 LYS 4 HB3 LYS 4 -7.824 6.487 1.253 37 HG2 LYS 4 HG2 LYS 4 -9.357 4.893 0.036 38 HG3 LYS 4 HG3 LYS 4 -10.367 4.802 1.483 39 HD2 LYS 4 HD2 LYS 4 -9.843 7.280 -0.218 40 HD3 LYS 4 HD3 LYS 4 -11.340 6.342 -0.139 41 HE2 LYS 4 HE2 LYS 4 -11.538 6.923 2.297 42 HE3 LYS 4 HE3 LYS 4 -10.124 7.971 2.133 43 HZ1 LYS 4 HZ1 LYS 4 -12.689 8.307 0.670 44 HZ2 LYS 4 HZ2 LYS 4 -11.380 9.271 0.479 45 HZ3 LYS 4 HZ3 LYS 4 -12.170 9.230 1.907 46 H ILE 5 H ILE 5 -7.561 2.082 1.594 47 HA ILE 5 HA ILE 5 -5.353 2.446 -0.350 48 HB ILE 5 HB ILE 5 -5.087 0.731 1.355 49 HG12 ILE 5 HG12 ILE 5 -5.259 -0.546 -1.405 50 HG13 ILE 5 HG13 ILE 5 -4.073 0.699 -1.004 51 HG21 ILE 5 HG21 ILE 5 -7.447 -0.051 1.558 52 HG22 ILE 5 HG22 ILE 5 -7.336 -0.787 -0.053 53 HG23 ILE 5 HG23 ILE 5 -6.328 -1.383 1.278 54 HD11 ILE 5 HD11 ILE 5 -3.055 -1.479 -0.787 55 HD12 ILE 5 HD12 ILE 5 -3.163 -0.716 0.810 56 HD13 ILE 5 HD13 ILE 5 -4.298 -2.010 0.358 57 H VAL 6 H VAL 6 -5.513 2.097 -2.488 58 HA VAL 6 HA VAL 6 -8.207 1.534 -3.669 59 HB VAL 6 HB VAL 6 -6.243 3.571 -4.753 60 HG11 VAL 6 HG11 VAL 6 -9.225 3.096 -5.208 61 HG12 VAL 6 HG12 VAL 6 -8.227 4.342 -5.988 62 HG13 VAL 6 HG13 VAL 6 -7.926 2.635 -6.331 63 HG21 VAL 6 HG21 VAL 6 -8.548 4.048 -2.844 64 HG22 VAL 6 HG22 VAL 6 -6.846 4.495 -2.628 65 HG23 VAL 6 HG23 VAL 6 -7.811 5.310 -3.860 66 HA PRO 7 HA PRO 7 -5.169 -1.262 -5.641 67 HB2 PRO 7 HB2 PRO 7 -6.497 -3.631 -5.447 68 HB3 PRO 7 HB3 PRO 7 -5.583 -2.922 -4.079 69 HG2 PRO 7 HG2 PRO 7 -8.569 -2.758 -4.610 70 HG3 PRO 7 HG3 PRO 7 -7.735 -3.162 -3.076 71 HD2 PRO 7 HD2 PRO 7 -8.665 -0.642 -3.666 72 HD3 PRO 7 HD3 PRO 7 -7.218 -0.921 -2.657 73 H ALA 8 H ALA 8 -5.083 -1.449 -7.815 74 HA ALA 8 HA ALA 8 -7.386 -1.004 -9.504 75 HB1 ALA 8 HB1 ALA 8 -5.724 -1.152 -11.313 76 HB2 ALA 8 HB2 ALA 8 -5.149 -0.111 -10.003 77 HB3 ALA 8 HB3 ALA 8 -4.512 -1.765 -10.165 78 H VAL 9 H VAL 9 -8.019 -3.247 -8.012 79 HA VAL 9 HA VAL 9 -8.010 -5.527 -9.937 80 HB VAL 9 HB VAL 9 -7.222 -5.744 -7.003 81 HG11 VAL 9 HG11 VAL 9 -8.413 -7.771 -7.666 82 HG12 VAL 9 HG12 VAL 9 -7.465 -7.875 -9.173 83 HG13 VAL 9 HG13 VAL 9 -6.693 -8.125 -7.599 84 HG21 VAL 9 HG21 VAL 9 -5.035 -6.561 -7.930 85 HG22 VAL 9 HG22 VAL 9 -5.592 -6.096 -9.545 86 HG23 VAL 9 HG23 VAL 9 -5.339 -4.863 -8.286 87 H GLY 10 H GLY 10 -9.775 -6.934 -9.774 88 HA2 GLY 10 HA2 GLY 10 -11.945 -7.589 -9.318 89 HA3 GLY 10 HA3 GLY 10 -11.749 -6.892 -7.708 90 H GLY 11 H GLY 11 -13.288 -5.419 -7.281 91 HA2 GLY 11 HA2 GLY 11 -14.845 -3.993 -9.261 92 HA3 GLY 11 HA3 GLY 11 -14.827 -3.717 -7.518 93 H GLY 12 H GLY 12 -11.706 -3.314 -7.884 94 HA2 GLY 12 HA2 GLY 12 -10.234 -1.602 -8.272 95 HA3 GLY 12 HA3 GLY 12 -11.384 -0.870 -9.385 96 H SER 13 H SER 13 -12.932 -1.258 -6.427 97 HA SER 13 HA SER 13 -13.201 1.539 -6.058 98 HB2 SER 13 HB2 SER 13 -13.982 -0.724 -4.177 99 HB3 SER 13 HB3 SER 13 -14.628 0.928 -4.153 100 HG SER 13 HG SER 13 -16.014 -0.504 -5.281 101 HA PRO 14 HA PRO 14 -10.241 2.376 -2.685 102 HB2 PRO 14 HB2 PRO 14 -11.539 4.390 -1.374 103 HB3 PRO 14 HB3 PRO 14 -10.728 4.647 -2.950 104 HG2 PRO 14 HG2 PRO 14 -13.667 4.102 -2.444 105 HG3 PRO 14 HG3 PRO 14 -12.935 5.387 -3.459 106 HD2 PRO 14 HD2 PRO 14 -13.828 3.066 -4.534 107 HD3 PRO 14 HD3 PRO 14 -12.340 3.845 -5.148 108 H LEU 15 H LEU 15 -10.078 1.824 -0.482 109 HA LEU 15 HA LEU 15 -12.523 1.058 1.022 110 HB2 LEU 15 HB2 LEU 15 -11.618 -0.970 -0.134 111 HB3 LEU 15 HB3 LEU 15 -10.068 -0.701 0.661 112 HG LEU 15 HG LEU 15 -11.239 -0.986 2.899 113 HD11 LEU 15 HD11 LEU 15 -13.543 -1.912 1.119 114 HD12 LEU 15 HD12 LEU 15 -13.568 -0.514 2.217 115 HD13 LEU 15 HD13 LEU 15 -13.438 -2.145 2.879 116 HD21 LEU 15 HD21 LEU 15 -9.978 -2.815 1.852 117 HD22 LEU 15 HD22 LEU 15 -11.423 -3.311 0.942 118 HD23 LEU 15 HD23 LEU 15 -11.395 -3.434 2.716 119 H GLU 16 H GLU 16 -12.522 1.908 2.991 120 HA GLU 16 HA GLU 16 -10.098 3.122 4.140 121 HB2 GLU 16 HB2 GLU 16 -12.975 3.031 5.102 122 HB3 GLU 16 HB3 GLU 16 -11.648 3.860 5.935 123 HG2 GLU 16 HG2 GLU 16 -11.249 5.240 3.896 124 HG3 GLU 16 HG3 GLU 16 -12.652 4.492 3.125 125 H LEU 17 H LEU 17 -8.911 2.365 5.768 126 HA LEU 17 HA LEU 17 -9.774 0.055 7.442 127 HB2 LEU 17 HB2 LEU 17 -7.241 0.274 5.762 128 HB3 LEU 17 HB3 LEU 17 -7.429 -0.889 7.066 129 HG LEU 17 HG LEU 17 -9.268 -0.830 4.628 130 HD11 LEU 17 HD11 LEU 17 -6.968 -1.247 3.910 131 HD12 LEU 17 HD12 LEU 17 -7.951 -2.715 3.783 132 HD13 LEU 17 HD13 LEU 17 -6.799 -2.532 5.128 133 HD21 LEU 17 HD21 LEU 17 -9.786 -3.143 5.324 134 HD22 LEU 17 HD22 LEU 17 -10.194 -2.006 6.614 135 HD23 LEU 17 HD23 LEU 17 -8.709 -2.978 6.730 136 H GLU 18 H GLU 18 -9.017 0.139 9.524 137 HA GLU 18 HA GLU 18 -7.373 2.412 10.410 138 HB2 GLU 18 HB2 GLU 18 -7.597 1.503 12.609 139 HB3 GLU 18 HB3 GLU 18 -9.170 1.678 11.858 140 HG2 GLU 18 HG2 GLU 18 -7.786 -1.037 11.883 141 HG3 GLU 18 HG3 GLU 18 -8.563 -0.412 13.320 142 H VAL 19 H VAL 19 -5.266 2.353 11.142 143 HA VAL 19 HA VAL 19 -3.738 -0.188 11.070 144 HB VAL 19 HB VAL 19 -1.869 0.842 9.853 145 HG11 VAL 19 HG11 VAL 19 -4.393 0.856 8.164 146 HG12 VAL 19 HG12 VAL 19 -2.724 0.624 7.609 147 HG13 VAL 19 HG13 VAL 19 -3.485 -0.594 8.646 148 HG21 VAL 19 HG21 VAL 19 -2.202 2.856 8.469 149 HG22 VAL 19 HG22 VAL 19 -3.795 3.107 9.217 150 HG23 VAL 19 HG23 VAL 19 -2.314 3.232 10.191 151 H ALA 20 H ALA 20 -1.790 -0.162 12.266 152 HA ALA 20 HA ALA 20 -1.694 1.699 14.507 153 HB1 ALA 20 HB1 ALA 20 -1.112 -0.689 14.747 154 HB2 ALA 20 HB2 ALA 20 0.229 -0.491 13.594 155 HB3 ALA 20 HB3 ALA 20 0.270 0.340 15.163 156 HA PRO 21 HA PRO 21 1.171 4.659 12.635 157 HB2 PRO 21 HB2 PRO 21 2.585 5.549 14.812 158 HB3 PRO 21 HB3 PRO 21 0.877 5.988 14.507 159 HG2 PRO 21 HG2 PRO 21 1.935 3.772 16.299 160 HG3 PRO 21 HG3 PRO 21 0.732 5.039 16.703 161 HD2 PRO 21 HD2 PRO 21 -0.045 2.562 15.942 162 HD3 PRO 21 HD3 PRO 21 -0.938 4.005 15.377 163 H ASN 22 H ASN 22 2.250 1.893 14.469 164 HA ASN 22 HA ASN 22 5.054 2.064 13.761 165 HB2 ASN 22 HB2 ASN 22 3.677 0.921 15.823 166 HB3 ASN 22 HB3 ASN 22 3.837 -0.489 14.785 167 HD21 ASN 22 HD21 ASN 22 5.808 -1.599 14.998 168 HD22 ASN 22 HD22 ASN 22 7.212 -0.913 15.803 169 H ALA 23 H ALA 23 2.658 1.517 11.642 170 HA ALA 23 HA ALA 23 3.022 -1.013 10.515 171 HB1 ALA 23 HB1 ALA 23 2.190 1.604 9.198 172 HB2 ALA 23 HB2 ALA 23 1.944 -0.016 8.514 173 HB3 ALA 23 HB3 ALA 23 1.127 0.438 10.019 174 H THR 24 H THR 24 4.719 -1.957 9.656 175 HA THR 24 HA THR 24 7.016 -0.456 8.607 176 HB THR 24 HB THR 24 6.682 -3.459 8.912 177 HG1 THR 24 HG1 THR 24 7.613 -1.525 10.761 178 HG21 THR 24 HG21 THR 24 8.668 -2.878 7.603 179 HG22 THR 24 HG22 THR 24 9.150 -3.424 9.210 180 HG23 THR 24 HG23 THR 24 9.164 -1.687 8.830 181 H VAL 25 H VAL 25 7.788 -0.479 6.511 182 HA VAL 25 HA VAL 25 6.001 -0.854 4.361 183 HB VAL 25 HB VAL 25 9.042 -0.888 4.205 184 HG11 VAL 25 HG11 VAL 25 8.018 -1.620 2.081 185 HG12 VAL 25 HG12 VAL 25 6.923 -0.218 2.111 186 HG13 VAL 25 HG13 VAL 25 8.669 0.011 1.913 187 HG21 VAL 25 HG21 VAL 25 8.296 1.145 5.345 188 HG22 VAL 25 HG22 VAL 25 8.807 1.540 3.703 189 HG23 VAL 25 HG23 VAL 25 7.077 1.438 4.086 190 H GLY 26 H GLY 26 8.566 -3.115 5.487 191 HA2 GLY 26 HA2 GLY 26 8.254 -5.090 3.488 192 HA3 GLY 26 HA3 GLY 26 8.854 -5.372 5.127 193 H ALA 27 H ALA 27 6.408 -4.680 6.540 194 HA ALA 27 HA ALA 27 4.918 -7.144 6.321 195 HB1 ALA 27 HB1 ALA 27 4.268 -4.549 7.795 196 HB2 ALA 27 HB2 ALA 27 3.498 -6.127 8.052 197 HB3 ALA 27 HB3 ALA 27 5.216 -5.909 8.441 198 H VAL 28 H VAL 28 4.215 -3.765 5.304 199 HA VAL 28 HA VAL 28 1.640 -4.304 4.136 200 HB VAL 28 HB VAL 28 3.667 -2.105 3.580 201 HG11 VAL 28 HG11 VAL 28 0.756 -2.309 2.692 202 HG12 VAL 28 HG12 VAL 28 1.762 -0.846 2.598 203 HG13 VAL 28 HG13 VAL 28 2.186 -2.260 1.635 204 HG21 VAL 28 HG21 VAL 28 2.734 -2.108 5.887 205 HG22 VAL 28 HG22 VAL 28 2.154 -0.727 4.953 206 HG23 VAL 28 HG23 VAL 28 1.090 -2.126 5.218 207 H ARG 29 H ARG 29 4.920 -4.253 2.671 208 HA ARG 29 HA ARG 29 4.085 -4.930 0.021 209 HB2 ARG 29 HB2 ARG 29 6.427 -4.108 1.102 210 HB3 ARG 29 HB3 ARG 29 6.763 -5.830 1.095 211 HG2 ARG 29 HG2 ARG 29 7.658 -4.952 -0.910 212 HG3 ARG 29 HG3 ARG 29 6.184 -5.789 -1.421 213 HD2 ARG 29 HD2 ARG 29 4.986 -3.672 -1.613 214 HD3 ARG 29 HD3 ARG 29 6.300 -2.807 -0.797 215 HE ARG 29 HE ARG 29 7.075 -4.163 -3.283 216 HH11 ARG 29 HH11 ARG 29 5.937 -1.120 -1.973 217 HH12 ARG 29 HH12 ARG 29 6.533 -0.204 -3.328 218 HH21 ARG 29 HH21 ARG 29 7.843 -2.924 -4.972 219 HH22 ARG 29 HH22 ARG 29 7.590 -1.207 -4.971 220 H THR 30 H THR 30 4.975 -7.013 2.762 221 HA THR 30 HA THR 30 4.694 -9.525 1.379 222 HB THR 30 HB THR 30 4.382 -8.903 4.342 223 HG1 THR 30 HG1 THR 30 6.412 -8.444 3.652 224 HG21 THR 30 HG21 THR 30 4.794 -11.556 2.890 225 HG22 THR 30 HG22 THR 30 3.392 -11.100 3.887 226 HG23 THR 30 HG23 THR 30 4.975 -11.314 4.642 227 H LYS 31 H LYS 31 2.315 -7.628 3.336 228 HA LYS 31 HA LYS 31 0.079 -9.361 2.936 229 HB2 LYS 31 HB2 LYS 31 0.459 -6.430 3.573 230 HB3 LYS 31 HB3 LYS 31 -1.140 -6.954 3.102 231 HG2 LYS 31 HG2 LYS 31 0.448 -8.265 5.348 232 HG3 LYS 31 HG3 LYS 31 -0.649 -6.911 5.599 233 HD2 LYS 31 HD2 LYS 31 -1.475 -9.639 4.501 234 HD3 LYS 31 HD3 LYS 31 -1.687 -9.077 6.161 235 HE2 LYS 31 HE2 LYS 31 -3.113 -7.199 5.341 236 HE3 LYS 31 HE3 LYS 31 -2.948 -7.804 3.688 237 HZ1 LYS 31 HZ1 LYS 31 -4.039 -9.864 4.401 238 HZ2 LYS 31 HZ2 LYS 31 -5.002 -8.584 4.706 239 HZ3 LYS 31 HZ3 LYS 31 -4.197 -9.302 5.928 240 H VAL 32 H VAL 32 1.165 -6.619 0.907 241 HA VAL 32 HA VAL 32 -0.810 -6.903 -1.143 242 HB VAL 32 HB VAL 32 2.006 -5.785 -1.120 243 HG11 VAL 32 HG11 VAL 32 0.090 -5.779 -3.486 244 HG12 VAL 32 HG12 VAL 32 1.561 -4.782 -3.338 245 HG13 VAL 32 HG13 VAL 32 1.702 -6.529 -3.435 246 HG21 VAL 32 HG21 VAL 32 -0.740 -4.494 -1.453 247 HG22 VAL 32 HG22 VAL 32 0.189 -4.539 0.057 248 HG23 VAL 32 HG23 VAL 32 0.820 -3.649 -1.334 249 H CYS 33 H CYS 33 2.520 -8.318 -1.054 250 HA CYS 33 HA CYS 33 2.257 -9.758 -3.471 251 HB2 CYS 33 HB2 CYS 33 4.380 -9.228 -2.326 252 HB3 CYS 33 HB3 CYS 33 3.970 -10.355 -1.021 253 HG CYS 33 HG CYS 33 4.229 -11.048 -4.268 254 H ALA 34 H ALA 34 1.491 -10.877 -0.131 255 HA ALA 34 HA ALA 34 0.715 -13.529 -0.884 256 HB1 ALA 34 HB1 ALA 34 1.354 -12.860 1.398 257 HB2 ALA 34 HB2 ALA 34 -0.073 -11.808 1.509 258 HB3 ALA 34 HB3 ALA 34 -0.271 -13.570 1.381 259 H MET 35 H MET 35 -1.273 -10.548 -0.386 260 HA MET 35 HA MET 35 -3.763 -11.888 -0.946 261 HB2 MET 35 HB2 MET 35 -3.491 -9.909 0.506 262 HB3 MET 35 HB3 MET 35 -3.103 -8.917 -0.910 263 HG2 MET 35 HG2 MET 35 -5.331 -9.166 -1.785 264 HG3 MET 35 HG3 MET 35 -5.688 -10.484 -0.668 265 HE1 MET 35 HE1 MET 35 -5.454 -6.009 0.558 266 HE2 MET 35 HE2 MET 35 -3.994 -6.916 0.119 267 HE3 MET 35 HE3 MET 35 -5.251 -6.603 -1.104 268 H LYS 36 H LYS 36 -1.423 -10.333 -3.070 269 HA LYS 36 HA LYS 36 -3.211 -10.638 -5.449 270 HB2 LYS 36 HB2 LYS 36 -0.369 -9.606 -5.137 271 HB3 LYS 36 HB3 LYS 36 -1.272 -9.620 -6.646 272 HG2 LYS 36 HG2 LYS 36 -2.138 -8.073 -4.149 273 HG3 LYS 36 HG3 LYS 36 -1.204 -7.421 -5.474 274 HD2 LYS 36 HD2 LYS 36 -3.080 -6.813 -6.434 275 HD3 LYS 36 HD3 LYS 36 -3.426 -8.487 -6.813 276 HE2 LYS 36 HE2 LYS 36 -4.224 -7.282 -4.123 277 HE3 LYS 36 HE3 LYS 36 -5.159 -6.913 -5.565 278 HZ1 LYS 36 HZ1 LYS 36 -4.773 -9.643 -4.444 279 HZ2 LYS 36 HZ2 LYS 36 -5.504 -9.331 -5.877 280 HZ3 LYS 36 HZ3 LYS 36 -6.150 -8.782 -4.489 281 H LYS 37 H LYS 37 -0.931 -12.520 -3.781 282 HA LYS 37 HA LYS 37 0.186 -14.413 -4.114 283 HB2 LYS 37 HB2 LYS 37 -2.313 -15.047 -4.706 284 HB3 LYS 37 HB3 LYS 37 -1.661 -15.276 -6.326 285 HG2 LYS 37 HG2 LYS 37 0.189 -16.721 -4.960 286 HG3 LYS 37 HG3 LYS 37 -1.074 -16.737 -3.739 287 HD2 LYS 37 HD2 LYS 37 -1.328 -18.733 -5.003 288 HD3 LYS 37 HD3 LYS 37 -2.649 -17.672 -5.526 289 HE2 LYS 37 HE2 LYS 37 -1.321 -17.013 -7.526 290 HE3 LYS 37 HE3 LYS 37 0.034 -17.993 -6.962 291 HZ1 LYS 37 HZ1 LYS 37 -2.633 -19.061 -7.727 292 HZ2 LYS 37 HZ2 LYS 37 -1.380 -19.967 -7.195 293 HZ3 LYS 37 HZ3 LYS 37 -1.272 -19.181 -8.620 294 H LEU 38 H LEU 38 1.084 -12.143 -5.675 295 HA LEU 38 HA LEU 38 2.748 -13.486 -7.716 296 HB2 LEU 38 HB2 LEU 38 0.651 -11.366 -8.276 297 HB3 LEU 38 HB3 LEU 38 2.174 -11.287 -9.112 298 HG LEU 38 HG LEU 38 1.647 -13.898 -9.609 299 HD11 LEU 38 HD11 LEU 38 -0.717 -14.129 -10.274 300 HD12 LEU 38 HD12 LEU 38 -1.086 -12.536 -9.574 301 HD13 LEU 38 HD13 LEU 38 -0.590 -13.880 -8.533 302 HD21 LEU 38 HD21 LEU 38 0.835 -13.164 -11.816 303 HD22 LEU 38 HD22 LEU 38 2.213 -12.200 -11.272 304 HD23 LEU 38 HD23 LEU 38 0.576 -11.521 -11.178 305 HA PRO 39 HA PRO 39 5.885 -10.979 -6.078 306 HB2 PRO 39 HB2 PRO 39 7.677 -10.676 -8.134 307 HB3 PRO 39 HB3 PRO 39 7.327 -12.252 -7.364 308 HG2 PRO 39 HG2 PRO 39 6.109 -11.111 -9.901 309 HG3 PRO 39 HG3 PRO 39 6.849 -12.727 -9.666 310 HD2 PRO 39 HD2 PRO 39 4.170 -12.369 -9.507 311 HD3 PRO 39 HD3 PRO 39 5.009 -13.489 -8.392 312 HA PRO 40 HA PRO 40 5.145 -6.699 -6.658 313 HB2 PRO 40 HB2 PRO 40 7.505 -5.479 -5.929 314 HB3 PRO 40 HB3 PRO 40 6.404 -6.305 -4.784 315 HG2 PRO 40 HG2 PRO 40 8.868 -7.452 -6.141 316 HG3 PRO 40 HG3 PRO 40 8.454 -7.482 -4.395 317 HD2 PRO 40 HD2 PRO 40 7.916 -9.600 -5.968 318 HD3 PRO 40 HD3 PRO 40 6.724 -9.073 -4.742 319 H ASP 41 H ASP 41 7.602 -8.139 -8.651 320 HA ASP 41 HA ASP 41 8.136 -5.934 -10.426 321 HB2 ASP 41 HB2 ASP 41 8.093 -8.935 -10.930 322 HB3 ASP 41 HB3 ASP 41 8.746 -7.731 -12.039 323 H THR 42 H THR 42 5.330 -8.018 -10.070 324 HA THR 42 HA THR 42 4.151 -7.059 -12.648 325 HB THR 42 HB THR 42 2.433 -8.688 -12.360 326 HG1 THR 42 HG1 THR 42 3.676 -9.294 -9.878 327 HG21 THR 42 HG21 THR 42 3.677 -10.764 -12.507 328 HG22 THR 42 HG22 THR 42 5.103 -10.020 -11.753 329 HG23 THR 42 HG23 THR 42 4.556 -9.480 -13.354 330 H THR 43 H THR 43 3.797 -6.639 -9.162 331 HA THR 43 HA THR 43 1.641 -4.645 -9.655 332 HB THR 43 HB THR 43 1.521 -6.775 -7.494 333 HG1 THR 43 HG1 THR 43 0.918 -7.589 -9.467 334 HG21 THR 43 HG21 THR 43 -0.794 -5.832 -7.166 335 HG22 THR 43 HG22 THR 43 -0.346 -4.469 -8.205 336 HG23 THR 43 HG23 THR 43 0.495 -4.734 -6.658 337 H ARG 44 H ARG 44 2.195 -2.764 -8.901 338 HA ARG 44 HA ARG 44 4.200 -2.535 -6.688 339 HB2 ARG 44 HB2 ARG 44 4.971 -0.488 -7.710 340 HB3 ARG 44 HB3 ARG 44 5.057 -1.818 -8.858 341 HG2 ARG 44 HG2 ARG 44 2.984 -1.036 -9.963 342 HG3 ARG 44 HG3 ARG 44 2.849 0.301 -8.813 343 HD2 ARG 44 HD2 ARG 44 5.192 -0.153 -10.704 344 HD3 ARG 44 HD3 ARG 44 3.822 0.918 -11.042 345 HE ARG 44 HE ARG 44 4.764 1.814 -8.598 346 HH11 ARG 44 HH11 ARG 44 6.246 1.490 -11.758 347 HH12 ARG 44 HH12 ARG 44 7.359 2.798 -11.468 348 HH21 ARG 44 HH21 ARG 44 6.214 3.466 -8.294 349 HH22 ARG 44 HH22 ARG 44 7.329 3.887 -9.560 350 H LEU 45 H LEU 45 4.143 -0.582 -5.428 351 HA LEU 45 HA LEU 45 1.408 0.450 -4.835 352 HB2 LEU 45 HB2 LEU 45 1.964 -1.353 -3.258 353 HB3 LEU 45 HB3 LEU 45 3.532 -0.625 -2.944 354 HG LEU 45 HG LEU 45 2.429 1.337 -1.879 355 HD11 LEU 45 HD11 LEU 45 0.196 1.158 -3.033 356 HD12 LEU 45 HD12 LEU 45 0.091 1.278 -1.284 357 HD13 LEU 45 HD13 LEU 45 -0.139 -0.293 -2.063 358 HD21 LEU 45 HD21 LEU 45 1.628 -1.353 -0.710 359 HD22 LEU 45 HD22 LEU 45 1.756 0.185 0.170 360 HD23 LEU 45 HD23 LEU 45 3.207 -0.557 -0.519 361 H THR 46 H THR 46 1.253 2.584 -4.368 362 HA THR 46 HA THR 46 3.693 4.126 -3.642 363 HB THR 46 HB THR 46 3.011 6.018 -5.038 364 HG1 THR 46 HG1 THR 46 1.209 4.182 -6.222 365 HG21 THR 46 HG21 THR 46 3.763 5.224 -7.189 366 HG22 THR 46 HG22 THR 46 3.445 3.533 -6.740 367 HG23 THR 46 HG23 THR 46 4.718 4.458 -5.904 368 H TYR 47 H TYR 47 3.325 6.114 -2.619 369 HA TYR 47 HA TYR 47 0.677 6.638 -1.387 370 HB2 TYR 47 HB2 TYR 47 1.576 5.359 0.345 371 HB3 TYR 47 HB3 TYR 47 3.222 5.890 0.040 372 HD1 TYR 47 HD1 TYR 47 -0.097 7.194 1.191 373 HD2 TYR 47 HD2 TYR 47 4.181 7.663 1.303 374 HE1 TYR 47 HE1 TYR 47 -0.346 9.114 2.753 375 HE2 TYR 47 HE2 TYR 47 3.933 9.498 2.971 376 HH TYR 47 HH TYR 47 0.770 10.632 4.169 377 H LYS 48 H LYS 48 0.242 8.778 -1.326 378 HA LYS 48 HA LYS 48 0.366 10.959 -1.997 379 HB2 LYS 48 HB2 LYS 48 1.449 10.699 0.394 380 HB3 LYS 48 HB3 LYS 48 2.930 11.183 -0.415 381 HG2 LYS 48 HG2 LYS 48 1.172 13.105 -1.372 382 HG3 LYS 48 HG3 LYS 48 0.385 12.679 0.136 383 HD2 LYS 48 HD2 LYS 48 1.661 14.395 0.882 384 HD3 LYS 48 HD3 LYS 48 2.833 13.112 1.165 385 HE2 LYS 48 HE2 LYS 48 2.676 14.867 -1.346 386 HE3 LYS 48 HE3 LYS 48 3.702 15.230 0.043 387 HZ1 LYS 48 HZ1 LYS 48 3.935 12.846 -1.713 388 HZ2 LYS 48 HZ2 LYS 48 4.861 13.103 -0.367 389 HZ3 LYS 48 HZ3 LYS 48 4.965 14.106 -1.654 390 H GLY 49 H GLY 49 1.411 9.415 -4.056 391 HA2 GLY 49 HA2 GLY 49 2.372 9.794 -6.122 392 HA3 GLY 49 HA3 GLY 49 2.872 11.397 -5.587 393 H ARG 50 H ARG 50 4.035 8.817 -3.566 394 HA ARG 50 HA ARG 50 6.631 8.610 -5.022 395 HB2 ARG 50 HB2 ARG 50 6.334 10.305 -2.879 396 HB3 ARG 50 HB3 ARG 50 6.669 8.811 -2.024 397 HG2 ARG 50 HG2 ARG 50 8.799 9.755 -2.294 398 HG3 ARG 50 HG3 ARG 50 8.736 8.594 -3.614 399 HD2 ARG 50 HD2 ARG 50 9.609 10.538 -4.607 400 HD3 ARG 50 HD3 ARG 50 7.906 10.556 -5.090 401 HE ARG 50 HE ARG 50 8.448 12.020 -2.611 402 HH11 ARG 50 HH11 ARG 50 8.442 12.418 -6.094 403 HH12 ARG 50 HH12 ARG 50 8.379 14.157 -5.982 404 HH21 ARG 50 HH21 ARG 50 8.404 14.235 -2.545 405 HH22 ARG 50 HH22 ARG 50 8.342 15.149 -4.022 406 H ALA 51 H ALA 51 7.969 6.788 -4.334 407 HA ALA 51 HA ALA 51 6.409 4.402 -3.523 408 HB1 ALA 51 HB1 ALA 51 8.467 3.188 -4.098 409 HB2 ALA 51 HB2 ALA 51 7.943 4.229 -5.437 410 HB3 ALA 51 HB3 ALA 51 9.307 4.722 -4.407 411 H LEU 52 H LEU 52 6.492 3.514 -1.516 412 HA LEU 52 HA LEU 52 8.275 4.643 0.581 413 HB2 LEU 52 HB2 LEU 52 5.996 2.636 0.646 414 HB3 LEU 52 HB3 LEU 52 7.000 2.999 2.045 415 HG LEU 52 HG LEU 52 5.391 5.131 0.579 416 HD11 LEU 52 HD11 LEU 52 4.673 3.533 3.072 417 HD12 LEU 52 HD12 LEU 52 3.878 3.424 1.483 418 HD13 LEU 52 HD13 LEU 52 3.765 4.917 2.427 419 HD21 LEU 52 HD21 LEU 52 7.217 6.049 1.951 420 HD22 LEU 52 HD22 LEU 52 6.695 5.061 3.337 421 HD23 LEU 52 HD23 LEU 52 5.664 6.367 2.727 422 H LYS 53 H LYS 53 10.150 3.747 1.077 423 HA LYS 53 HA LYS 53 10.581 0.856 1.042 424 HB2 LYS 53 HB2 LYS 53 11.142 1.854 -1.338 425 HB3 LYS 53 HB3 LYS 53 12.539 2.546 -0.545 426 HG2 LYS 53 HG2 LYS 53 13.584 0.627 -1.047 427 HG3 LYS 53 HG3 LYS 53 12.704 -0.117 0.281 428 HD2 LYS 53 HD2 LYS 53 11.809 -0.006 -2.639 429 HD3 LYS 53 HD3 LYS 53 12.594 -1.388 -1.897 430 HE2 LYS 53 HE2 LYS 53 9.949 -0.272 -0.866 431 HE3 LYS 53 HE3 LYS 53 10.031 -1.434 -2.187 432 HZ1 LYS 53 HZ1 LYS 53 9.737 -2.556 -0.051 433 HZ2 LYS 53 HZ2 LYS 53 11.148 -1.955 0.518 434 HZ3 LYS 53 HZ3 LYS 53 11.148 -2.999 -0.734 435 H ASP 54 H ASP 54 11.863 0.294 2.694 436 HA ASP 54 HA ASP 54 13.066 0.399 4.584 437 HB2 ASP 54 HB2 ASP 54 14.741 0.589 2.701 438 HB3 ASP 54 HB3 ASP 54 14.857 2.311 3.056 439 H THR 55 H THR 55 10.889 2.367 4.587 440 HA THR 55 HA THR 55 11.921 4.755 5.928 441 HB THR 55 HB THR 55 9.690 5.574 5.946 442 HG1 THR 55 HG1 THR 55 8.429 3.912 6.506 443 HG21 THR 55 HG21 THR 55 10.861 5.497 3.705 444 HG22 THR 55 HG22 THR 55 9.090 5.541 3.623 445 HG23 THR 55 HG23 THR 55 9.940 4.016 3.344 446 H GLU 56 H GLU 56 11.106 1.690 7.067 447 HA GLU 56 HA GLU 56 10.734 0.700 9.034 448 HB2 GLU 56 HB2 GLU 56 12.711 2.036 9.712 449 HB3 GLU 56 HB3 GLU 56 11.622 3.247 10.406 450 HG2 GLU 56 HG2 GLU 56 10.711 1.562 11.961 451 HG3 GLU 56 HG3 GLU 56 11.694 0.308 11.200 452 H THR 57 H THR 57 9.363 4.011 9.415 453 HA THR 57 HA THR 57 6.678 2.864 9.842 454 HB THR 57 HB THR 57 6.170 4.170 11.800 455 HG1 THR 57 HG1 THR 57 7.900 5.208 12.934 456 HG21 THR 57 HG21 THR 57 7.365 3.045 13.545 457 HG22 THR 57 HG22 THR 57 8.717 2.661 12.461 458 HG23 THR 57 HG23 THR 57 7.129 1.901 12.213 459 H LEU 58 H LEU 58 4.962 4.425 9.579 460 HA LEU 58 HA LEU 58 5.451 6.627 7.769 461 HB2 LEU 58 HB2 LEU 58 3.144 5.383 9.173 462 HB3 LEU 58 HB3 LEU 58 2.987 7.122 9.040 463 HG LEU 58 HG LEU 58 3.557 5.330 6.646 464 HD11 LEU 58 HD11 LEU 58 1.381 4.749 7.584 465 HD12 LEU 58 HD12 LEU 58 1.139 5.717 6.120 466 HD13 LEU 58 HD13 LEU 58 0.930 6.466 7.709 467 HD21 LEU 58 HD21 LEU 58 2.790 7.287 5.346 468 HD22 LEU 58 HD22 LEU 58 4.190 7.727 6.328 469 HD23 LEU 58 HD23 LEU 58 2.563 8.217 6.841 470 H GLU 59 H GLU 59 5.228 6.398 11.306 471 HA GLU 59 HA GLU 59 4.934 9.170 11.857 472 HB2 GLU 59 HB2 GLU 59 4.426 7.342 13.392 473 HB3 GLU 59 HB3 GLU 59 6.127 6.951 13.565 474 HG2 GLU 59 HG2 GLU 59 4.973 9.699 14.235 475 HG3 GLU 59 HG3 GLU 59 4.918 8.367 15.379 476 H SER 60 H SER 60 7.912 7.297 11.261 477 HA SER 60 HA SER 60 9.754 9.312 12.066 478 HB2 SER 60 HB2 SER 60 11.405 8.082 10.911 479 HB3 SER 60 HB3 SER 60 10.264 6.885 11.544 480 HG SER 60 HG SER 60 9.417 6.633 9.483 481 H LEU 61 H LEU 61 7.872 9.050 9.115 482 HA LEU 61 HA LEU 61 9.276 11.347 7.841 483 HB2 LEU 61 HB2 LEU 61 7.147 9.488 6.721 484 HB3 LEU 61 HB3 LEU 61 8.024 10.734 5.836 485 HG LEU 61 HG LEU 61 9.189 8.157 6.971 486 HD11 LEU 61 HD11 LEU 61 9.616 7.688 4.577 487 HD12 LEU 61 HD12 LEU 61 8.795 9.194 4.132 488 HD13 LEU 61 HD13 LEU 61 7.887 7.881 4.917 489 HD21 LEU 61 HD21 LEU 61 10.598 10.420 5.480 490 HD22 LEU 61 HD22 LEU 61 11.293 8.818 5.818 491 HD23 LEU 61 HD23 LEU 61 10.911 9.902 7.154 492 H GLY 62 H GLY 62 6.982 11.127 10.098 493 HA2 GLY 62 HA2 GLY 62 5.496 12.778 10.873 494 HA3 GLY 62 HA3 GLY 62 5.507 13.568 9.299 495 H VAL 63 H VAL 63 3.935 11.311 11.334 496 HA VAL 63 HA VAL 63 2.215 10.039 9.348 497 HB VAL 63 HB VAL 63 2.829 8.865 11.371 498 HG11 VAL 63 HG11 VAL 63 2.944 10.735 13.001 499 HG12 VAL 63 HG12 VAL 63 1.177 10.898 12.931 500 HG13 VAL 63 HG13 VAL 63 1.916 9.419 13.576 501 HG21 VAL 63 HG21 VAL 63 0.664 8.325 10.272 502 HG22 VAL 63 HG22 VAL 63 0.728 7.935 11.997 503 HG23 VAL 63 HG23 VAL 63 -0.157 9.369 11.461 504 H ALA 64 H ALA 64 -0.017 10.342 9.064 505 HA ALA 64 HA ALA 64 -1.353 12.722 10.200 506 HB1 ALA 64 HB1 ALA 64 -1.115 12.169 7.209 507 HB2 ALA 64 HB2 ALA 64 -2.041 13.486 7.960 508 HB3 ALA 64 HB3 ALA 64 -0.277 13.467 8.086 509 H ASP 65 H ASP 65 -3.731 12.612 8.909 510 HA ASP 65 HA ASP 65 -4.709 9.804 9.125 511 HB2 ASP 65 HB2 ASP 65 -5.310 11.378 11.092 512 HB3 ASP 65 HB3 ASP 65 -6.367 12.207 9.944 513 H GLY 66 H GLY 66 -6.283 9.132 7.679 514 HA2 GLY 66 HA2 GLY 66 -7.509 9.152 5.721 515 HA3 GLY 66 HA3 GLY 66 -7.358 10.910 5.621 516 H ASP 67 H ASP 67 -4.414 9.032 5.930 517 HA ASP 67 HA ASP 67 -3.264 9.849 3.432 518 HB2 ASP 67 HB2 ASP 67 -2.638 7.631 5.411 519 HB3 ASP 67 HB3 ASP 67 -1.687 7.869 3.966 520 H LYS 68 H LYS 68 -3.208 8.918 1.411 521 HA LYS 68 HA LYS 68 -4.840 6.454 1.039 522 HB2 LYS 68 HB2 LYS 68 -5.527 7.182 -1.120 523 HB3 LYS 68 HB3 LYS 68 -6.002 8.331 0.128 524 HG2 LYS 68 HG2 LYS 68 -4.244 9.893 -0.557 525 HG3 LYS 68 HG3 LYS 68 -3.560 8.704 -1.668 526 HD2 LYS 68 HD2 LYS 68 -4.839 10.342 -2.928 527 HD3 LYS 68 HD3 LYS 68 -5.558 8.745 -3.060 528 HE2 LYS 68 HE2 LYS 68 -7.342 10.313 -2.833 529 HE3 LYS 68 HE3 LYS 68 -7.267 9.380 -1.341 530 HZ1 LYS 68 HZ1 LYS 68 -6.107 11.271 -0.305 531 HZ2 LYS 68 HZ2 LYS 68 -7.531 11.770 -0.925 532 HZ3 LYS 68 HZ3 LYS 68 -6.144 12.114 -1.707 533 H PHE 69 H PHE 69 -4.285 4.864 -0.225 534 HA PHE 69 HA PHE 69 -1.425 4.692 -1.135 535 HB2 PHE 69 HB2 PHE 69 -3.160 2.761 0.453 536 HB3 PHE 69 HB3 PHE 69 -1.730 2.245 -0.406 537 HD1 PHE 69 HD1 PHE 69 -2.881 4.618 2.286 538 HD2 PHE 69 HD2 PHE 69 0.406 2.379 0.610 539 HE1 PHE 69 HE1 PHE 69 -1.476 5.196 4.246 540 HE2 PHE 69 HE2 PHE 69 1.782 2.916 2.592 541 HZ PHE 69 HZ PHE 69 0.858 4.334 4.400 542 H VAL 70 H VAL 70 -1.150 3.904 -3.201 543 HA VAL 70 HA VAL 70 -3.607 2.894 -4.621 544 HB VAL 70 HB VAL 70 -1.483 4.741 -5.745 545 HG11 VAL 70 HG11 VAL 70 -2.411 3.237 -7.475 546 HG12 VAL 70 HG12 VAL 70 -4.063 3.644 -6.960 547 HG13 VAL 70 HG13 VAL 70 -3.016 4.878 -7.694 548 HG21 VAL 70 HG21 VAL 70 -3.346 6.387 -5.881 549 HG22 VAL 70 HG22 VAL 70 -4.392 5.263 -4.985 550 HG23 VAL 70 HG23 VAL 70 -2.956 5.970 -4.211 551 H LEU 71 H LEU 71 -3.462 0.972 -5.437 552 HA LEU 71 HA LEU 71 -0.805 -0.288 -5.890 553 HB2 LEU 71 HB2 LEU 71 -3.057 -1.283 -4.585 554 HB3 LEU 71 HB3 LEU 71 -3.266 -1.905 -6.225 555 HG LEU 71 HG LEU 71 -0.890 -2.810 -6.072 556 HD11 LEU 71 HD11 LEU 71 -1.369 -2.275 -3.101 557 HD12 LEU 71 HD12 LEU 71 -0.179 -1.441 -4.123 558 HD13 LEU 71 HD13 LEU 71 -0.005 -3.168 -3.809 559 HD21 LEU 71 HD21 LEU 71 -2.995 -3.868 -4.132 560 HD22 LEU 71 HD22 LEU 71 -1.616 -4.786 -4.775 561 HD23 LEU 71 HD23 LEU 71 -2.892 -4.235 -5.870 562 H ILE 72 H ILE 72 -0.153 -0.883 -7.902 563 HA ILE 72 HA ILE 72 -2.057 -0.618 -10.200 564 HB ILE 72 HB ILE 72 0.845 0.285 -10.254 565 HG12 ILE 72 HG12 ILE 72 -0.523 2.555 -10.841 566 HG13 ILE 72 HG13 ILE 72 -1.679 1.845 -9.728 567 HG21 ILE 72 HG21 ILE 72 -1.376 0.484 -12.329 568 HG22 ILE 72 HG22 ILE 72 0.258 1.162 -12.484 569 HG23 ILE 72 HG23 ILE 72 0.047 -0.583 -12.411 570 HD11 ILE 72 HD11 ILE 72 0.169 1.727 -7.998 571 HD12 ILE 72 HD12 ILE 72 1.274 2.451 -9.185 572 HD13 ILE 72 HD13 ILE 72 -0.117 3.374 -8.587 573 H THR 73 H THR 73 -2.161 -2.412 -11.392 574 HA THR 73 HA THR 73 -0.003 -4.466 -11.135 575 HB THR 73 HB THR 73 -2.081 -5.059 -9.924 576 HG1 THR 73 HG1 THR 73 -0.872 -6.705 -10.552 577 HG21 THR 73 HG21 THR 73 -3.346 -5.280 -12.697 578 HG22 THR 73 HG22 THR 73 -3.807 -4.107 -11.439 579 HG23 THR 73 HG23 THR 73 -4.032 -5.844 -11.172 580 H ARG 74 H ARG 74 0.708 -5.528 -12.899 581 HA ARG 74 HA ARG 74 0.021 -4.506 -15.592 582 HB2 ARG 74 HB2 ARG 74 2.069 -6.457 -14.470 583 HB3 ARG 74 HB3 ARG 74 1.767 -6.376 -16.198 584 HG2 ARG 74 HG2 ARG 74 2.552 -3.923 -14.566 585 HG3 ARG 74 HG3 ARG 74 3.717 -5.003 -15.342 586 HD2 ARG 74 HD2 ARG 74 2.587 -4.591 -17.556 587 HD3 ARG 74 HD3 ARG 74 1.522 -3.433 -16.766 588 HE ARG 74 HE ARG 74 3.212 -1.864 -16.703 589 HH11 ARG 74 HH11 ARG 74 4.724 -4.908 -17.584 590 HH12 ARG 74 HH12 ARG 74 6.207 -4.129 -18.061 591 HH21 ARG 74 HH21 ARG 74 5.116 -0.947 -17.352 592 HH22 ARG 74 HH22 ARG 74 6.416 -1.947 -17.932 593 H THR 75 H THR 75 -1.131 -5.512 -17.117 594 HA THR 75 HA THR 75 -2.737 -7.883 -16.526 595 HB THR 75 HB THR 75 -3.348 -7.692 -18.963 596 HG1 THR 75 HG1 THR 75 -1.471 -6.574 -19.646 597 HG21 THR 75 HG21 THR 75 -3.702 -5.160 -17.302 598 HG22 THR 75 HG22 THR 75 -4.712 -6.622 -17.204 599 HG23 THR 75 HG23 THR 75 -4.691 -5.658 -18.692 600 H VAL 76 H VAL 76 -1.769 -9.823 -16.383 601 HA VAL 76 HA VAL 76 0.713 -10.475 -17.749 602 HB VAL 76 HB VAL 76 -1.210 -12.249 -16.201 603 HG11 VAL 76 HG11 VAL 76 0.725 -13.795 -16.011 604 HG12 VAL 76 HG12 VAL 76 0.200 -13.623 -17.686 605 HG13 VAL 76 HG13 VAL 76 1.655 -12.767 -17.123 606 HG21 VAL 76 HG21 VAL 76 -0.210 -10.481 -14.788 607 HG22 VAL 76 HG22 VAL 76 0.479 -12.057 -14.393 608 HG23 VAL 76 HG23 VAL 76 1.408 -10.908 -15.380 609 H GLY 77 H GLY 77 0.922 -11.057 -19.798 610 HA2 GLY 77 HA2 GLY 77 -0.319 -13.039 -21.277 611 HA3 GLY 77 HA3 GLY 77 -1.340 -11.623 -21.541 Start of MODEL 9 1 HA MET 1 HA MET 1 -4.570 7.110 12.074 2 HB2 MET 1 HB2 MET 1 -4.447 4.581 13.763 3 HB3 MET 1 HB3 MET 1 -3.436 4.922 12.349 4 HG2 MET 1 HG2 MET 1 -2.107 5.487 14.180 5 HG3 MET 1 HG3 MET 1 -2.629 7.011 13.468 6 HE1 MET 1 HE1 MET 1 -1.874 8.417 15.517 7 HE2 MET 1 HE2 MET 1 -2.272 8.028 17.205 8 HE3 MET 1 HE3 MET 1 -1.222 6.942 16.271 9 H LYS 2 H LYS 2 -6.785 7.320 10.950 10 HA LYS 2 HA LYS 2 -7.694 4.746 9.718 11 HB2 LYS 2 HB2 LYS 2 -8.825 7.566 9.592 12 HB3 LYS 2 HB3 LYS 2 -9.451 6.185 8.676 13 HG2 LYS 2 HG2 LYS 2 -9.831 4.958 10.830 14 HG3 LYS 2 HG3 LYS 2 -9.360 6.412 11.718 15 HD2 LYS 2 HD2 LYS 2 -11.705 6.196 9.778 16 HD3 LYS 2 HD3 LYS 2 -11.815 6.130 11.543 17 HE2 LYS 2 HE2 LYS 2 -10.860 8.427 11.686 18 HE3 LYS 2 HE3 LYS 2 -10.803 8.511 9.921 19 HZ1 LYS 2 HZ1 LYS 2 -12.813 9.559 10.786 20 HZ2 LYS 2 HZ2 LYS 2 -13.280 8.186 11.529 21 HZ3 LYS 2 HZ3 LYS 2 -13.230 8.253 9.898 22 H ILE 3 H ILE 3 -7.429 4.269 7.614 23 HA ILE 3 HA ILE 3 -5.928 6.110 5.831 24 HB ILE 3 HB ILE 3 -4.302 4.470 5.240 25 HG12 ILE 3 HG12 ILE 3 -4.083 2.392 6.860 26 HG13 ILE 3 HG13 ILE 3 -5.831 2.534 6.985 27 HG21 ILE 3 HG21 ILE 3 -2.939 4.462 7.202 28 HG22 ILE 3 HG22 ILE 3 -3.916 5.940 7.234 29 HG23 ILE 3 HG23 ILE 3 -4.353 4.573 8.270 30 HD11 ILE 3 HD11 ILE 3 -6.022 2.184 4.543 31 HD12 ILE 3 HD12 ILE 3 -4.251 2.254 4.377 32 HD13 ILE 3 HD13 ILE 3 -5.015 0.918 5.250 33 H LYS 4 H LYS 4 -5.901 5.378 3.569 34 HA LYS 4 HA LYS 4 -8.230 3.628 2.851 35 HB2 LYS 4 HB2 LYS 4 -7.517 6.358 1.735 36 HB3 LYS 4 HB3 LYS 4 -8.527 5.198 0.853 37 HG2 LYS 4 HG2 LYS 4 -10.164 5.136 2.647 38 HG3 LYS 4 HG3 LYS 4 -9.160 6.165 3.673 39 HD2 LYS 4 HD2 LYS 4 -10.955 7.472 2.762 40 HD3 LYS 4 HD3 LYS 4 -9.423 8.041 2.088 41 HE2 LYS 4 HE2 LYS 4 -9.874 6.788 -0.008 42 HE3 LYS 4 HE3 LYS 4 -11.370 6.146 0.688 43 HZ1 LYS 4 HZ1 LYS 4 -11.794 8.085 -0.727 44 HZ2 LYS 4 HZ2 LYS 4 -10.835 9.030 0.194 45 HZ3 LYS 4 HZ3 LYS 4 -12.219 8.423 0.811 46 H ILE 5 H ILE 5 -8.004 2.225 1.267 47 HA ILE 5 HA ILE 5 -5.473 2.220 -0.327 48 HB ILE 5 HB ILE 5 -6.931 -0.266 0.613 49 HG12 ILE 5 HG12 ILE 5 -4.374 1.005 1.691 50 HG13 ILE 5 HG13 ILE 5 -5.901 0.798 2.547 51 HG21 ILE 5 HG21 ILE 5 -5.713 -0.488 -1.563 52 HG22 ILE 5 HG22 ILE 5 -4.230 0.090 -0.776 53 HG23 ILE 5 HG23 ILE 5 -4.975 -1.454 -0.308 54 HD11 ILE 5 HD11 ILE 5 -3.967 -1.396 1.744 55 HD12 ILE 5 HD12 ILE 5 -4.425 -0.867 3.367 56 HD13 ILE 5 HD13 ILE 5 -5.614 -1.704 2.351 57 H VAL 6 H VAL 6 -5.749 2.161 -2.490 58 HA VAL 6 HA VAL 6 -8.393 1.333 -3.611 59 HB VAL 6 HB VAL 6 -8.447 3.665 -3.534 60 HG11 VAL 6 HG11 VAL 6 -5.959 3.874 -5.255 61 HG12 VAL 6 HG12 VAL 6 -7.017 5.189 -4.730 62 HG13 VAL 6 HG13 VAL 6 -6.072 4.304 -3.533 63 HG21 VAL 6 HG21 VAL 6 -8.968 4.146 -5.846 64 HG22 VAL 6 HG22 VAL 6 -7.958 2.799 -6.407 65 HG23 VAL 6 HG23 VAL 6 -9.439 2.478 -5.476 66 HA PRO 7 HA PRO 7 -5.299 -1.015 -5.901 67 HB2 PRO 7 HB2 PRO 7 -6.337 -3.506 -5.710 68 HB3 PRO 7 HB3 PRO 7 -5.548 -2.710 -4.319 69 HG2 PRO 7 HG2 PRO 7 -8.518 -2.923 -4.888 70 HG3 PRO 7 HG3 PRO 7 -7.655 -3.204 -3.346 71 HD2 PRO 7 HD2 PRO 7 -8.901 -0.817 -4.065 72 HD3 PRO 7 HD3 PRO 7 -7.555 -0.930 -2.897 73 H ALA 8 H ALA 8 -5.240 -1.074 -8.058 74 HA ALA 8 HA ALA 8 -7.600 -0.651 -9.659 75 HB1 ALA 8 HB1 ALA 8 -5.417 0.452 -10.040 76 HB2 ALA 8 HB2 ALA 8 -4.703 -1.121 -10.470 77 HB3 ALA 8 HB3 ALA 8 -5.983 -0.413 -11.479 78 H VAL 9 H VAL 9 -7.702 -3.241 -8.348 79 HA VAL 9 HA VAL 9 -7.001 -5.370 -10.202 80 HB VAL 9 HB VAL 9 -8.149 -6.840 -8.524 81 HG11 VAL 9 HG11 VAL 9 -5.931 -4.999 -7.546 82 HG12 VAL 9 HG12 VAL 9 -6.352 -6.580 -6.852 83 HG13 VAL 9 HG13 VAL 9 -5.744 -6.478 -8.510 84 HG21 VAL 9 HG21 VAL 9 -8.304 -4.311 -6.819 85 HG22 VAL 9 HG22 VAL 9 -9.703 -5.187 -7.462 86 HG23 VAL 9 HG23 VAL 9 -8.635 -5.969 -6.296 87 H GLY 10 H GLY 10 -8.125 -4.483 -12.041 88 HA2 GLY 10 HA2 GLY 10 -9.747 -4.810 -13.663 89 HA3 GLY 10 HA3 GLY 10 -10.591 -5.928 -12.587 90 H GLY 11 H GLY 11 -9.785 -2.479 -12.070 91 HA2 GLY 11 HA2 GLY 11 -11.158 -0.599 -11.889 92 HA3 GLY 11 HA3 GLY 11 -12.571 -1.567 -12.306 93 H GLY 12 H GLY 12 -10.366 -2.422 -9.656 94 HA2 GLY 12 HA2 GLY 12 -12.390 -2.759 -7.713 95 HA3 GLY 12 HA3 GLY 12 -10.667 -2.648 -7.381 96 H SER 13 H SER 13 -13.162 -1.580 -6.044 97 HA SER 13 HA SER 13 -13.086 1.306 -6.219 98 HB2 SER 13 HB2 SER 13 -14.447 -0.532 -4.211 99 HB3 SER 13 HB3 SER 13 -14.765 1.201 -4.404 100 HG SER 13 HG SER 13 -16.279 -0.092 -5.552 101 HA PRO 14 HA PRO 14 -10.314 2.219 -2.725 102 HB2 PRO 14 HB2 PRO 14 -11.471 4.485 -1.694 103 HB3 PRO 14 HB3 PRO 14 -10.525 4.479 -3.212 104 HG2 PRO 14 HG2 PRO 14 -13.537 4.303 -2.911 105 HG3 PRO 14 HG3 PRO 14 -12.590 5.387 -3.981 106 HD2 PRO 14 HD2 PRO 14 -13.656 3.087 -4.912 107 HD3 PRO 14 HD3 PRO 14 -12.031 3.606 -5.441 108 H LEU 15 H LEU 15 -10.265 1.776 -0.542 109 HA LEU 15 HA LEU 15 -12.786 1.251 0.950 110 HB2 LEU 15 HB2 LEU 15 -11.096 -0.745 -0.196 111 HB3 LEU 15 HB3 LEU 15 -10.661 -0.713 1.491 112 HG LEU 15 HG LEU 15 -12.308 -2.405 1.078 113 HD11 LEU 15 HD11 LEU 15 -12.452 -1.183 3.243 114 HD12 LEU 15 HD12 LEU 15 -13.988 -1.894 2.723 115 HD13 LEU 15 HD13 LEU 15 -13.726 -0.151 2.549 116 HD21 LEU 15 HD21 LEU 15 -13.379 -1.416 -0.928 117 HD22 LEU 15 HD22 LEU 15 -14.238 -0.261 0.113 118 HD23 LEU 15 HD23 LEU 15 -14.550 -2.000 0.269 119 H GLU 16 H GLU 16 -12.728 1.741 3.083 120 HA GLU 16 HA GLU 16 -10.370 3.147 4.198 121 HB2 GLU 16 HB2 GLU 16 -13.212 2.762 5.202 122 HB3 GLU 16 HB3 GLU 16 -11.943 3.616 6.092 123 HG2 GLU 16 HG2 GLU 16 -11.770 5.314 4.377 124 HG3 GLU 16 HG3 GLU 16 -12.860 4.428 3.304 125 H LEU 17 H LEU 17 -9.168 2.464 5.894 126 HA LEU 17 HA LEU 17 -9.910 0.068 7.471 127 HB2 LEU 17 HB2 LEU 17 -7.278 0.383 5.957 128 HB3 LEU 17 HB3 LEU 17 -7.525 -0.724 7.287 129 HG LEU 17 HG LEU 17 -9.585 -1.556 5.734 130 HD11 LEU 17 HD11 LEU 17 -8.842 -1.692 3.391 131 HD12 LEU 17 HD12 LEU 17 -7.401 -0.726 3.765 132 HD13 LEU 17 HD13 LEU 17 -9.008 0.007 3.846 133 HD21 LEU 17 HD21 LEU 17 -7.821 -2.971 6.677 134 HD22 LEU 17 HD22 LEU 17 -6.679 -2.407 5.437 135 HD23 LEU 17 HD23 LEU 17 -8.104 -3.365 4.976 136 H GLU 18 H GLU 18 -8.512 -0.186 9.375 137 HA GLU 18 HA GLU 18 -7.268 2.342 10.383 138 HB2 GLU 18 HB2 GLU 18 -9.338 1.910 11.587 139 HB3 GLU 18 HB3 GLU 18 -8.834 0.246 11.926 140 HG2 GLU 18 HG2 GLU 18 -6.994 1.043 13.335 141 HG3 GLU 18 HG3 GLU 18 -7.326 2.716 12.872 142 H VAL 19 H VAL 19 -5.222 2.170 11.188 143 HA VAL 19 HA VAL 19 -3.937 -0.507 11.443 144 HB VAL 19 HB VAL 19 -2.012 0.177 10.123 145 HG11 VAL 19 HG11 VAL 19 -4.542 0.438 8.457 146 HG12 VAL 19 HG12 VAL 19 -2.931 -0.050 7.899 147 HG13 VAL 19 HG13 VAL 19 -3.827 -1.090 9.018 148 HG21 VAL 19 HG21 VAL 19 -2.104 2.620 10.314 149 HG22 VAL 19 HG22 VAL 19 -2.082 2.131 8.617 150 HG23 VAL 19 HG23 VAL 19 -3.605 2.654 9.365 151 H ALA 20 H ALA 20 -1.866 -0.479 12.538 152 HA ALA 20 HA ALA 20 -1.696 1.378 14.746 153 HB1 ALA 20 HB1 ALA 20 0.387 0.134 15.253 154 HB2 ALA 20 HB2 ALA 20 -0.953 -0.970 14.902 155 HB3 ALA 20 HB3 ALA 20 0.297 -0.670 13.674 156 HA PRO 21 HA PRO 21 0.683 4.610 12.764 157 HB2 PRO 21 HB2 PRO 21 2.190 5.617 14.838 158 HB3 PRO 21 HB3 PRO 21 0.430 5.878 14.662 159 HG2 PRO 21 HG2 PRO 21 1.840 3.786 16.349 160 HG3 PRO 21 HG3 PRO 21 0.518 4.896 16.839 161 HD2 PRO 21 HD2 PRO 21 0.010 2.341 16.098 162 HD3 PRO 21 HD3 PRO 21 -1.091 3.664 15.614 163 H ASN 22 H ASN 22 2.350 2.021 14.446 164 HA ASN 22 HA ASN 22 4.934 2.488 13.129 165 HB2 ASN 22 HB2 ASN 22 3.940 0.431 15.127 166 HB3 ASN 22 HB3 ASN 22 5.535 0.346 14.389 167 HD21 ASN 22 HD21 ASN 22 3.737 1.839 16.936 168 HD22 ASN 22 HD22 ASN 22 5.020 2.929 17.420 169 H ALA 23 H ALA 23 2.727 2.098 11.311 170 HA ALA 23 HA ALA 23 2.747 -0.498 10.124 171 HB1 ALA 23 HB1 ALA 23 2.222 2.250 8.912 172 HB2 ALA 23 HB2 ALA 23 1.829 0.692 8.153 173 HB3 ALA 23 HB3 ALA 23 1.019 1.171 9.656 174 H THR 24 H THR 24 4.374 -1.547 9.213 175 HA THR 24 HA THR 24 6.844 -0.122 8.371 176 HB THR 24 HB THR 24 6.323 -3.066 8.909 177 HG1 THR 24 HG1 THR 24 6.288 -1.631 10.731 178 HG21 THR 24 HG21 THR 24 8.927 -1.570 8.368 179 HG22 THR 24 HG22 THR 24 8.217 -2.863 7.370 180 HG23 THR 24 HG23 THR 24 8.815 -3.231 8.988 181 H VAL 25 H VAL 25 7.426 0.086 6.287 182 HA VAL 25 HA VAL 25 5.652 -0.429 4.166 183 HB VAL 25 HB VAL 25 8.657 0.041 4.053 184 HG11 VAL 25 HG11 VAL 25 7.895 -0.817 1.870 185 HG12 VAL 25 HG12 VAL 25 6.563 0.361 1.857 186 HG13 VAL 25 HG13 VAL 25 8.252 0.902 1.768 187 HG21 VAL 25 HG21 VAL 25 7.441 1.864 5.197 188 HG22 VAL 25 HG22 VAL 25 8.002 2.388 3.608 189 HG23 VAL 25 HG23 VAL 25 6.295 1.959 3.846 190 H GLY 26 H GLY 26 8.525 -2.376 5.089 191 HA2 GLY 26 HA2 GLY 26 8.331 -4.323 3.020 192 HA3 GLY 26 HA3 GLY 26 9.098 -4.555 4.597 193 H ALA 27 H ALA 27 6.694 -4.188 6.211 194 HA ALA 27 HA ALA 27 5.554 -6.843 6.046 195 HB1 ALA 27 HB1 ALA 27 4.710 -4.429 7.711 196 HB2 ALA 27 HB2 ALA 27 4.245 -6.119 7.985 197 HB3 ALA 27 HB3 ALA 27 5.939 -5.631 8.178 198 H VAL 28 H VAL 28 4.369 -3.583 5.149 199 HA VAL 28 HA VAL 28 1.748 -4.450 4.262 200 HB VAL 28 HB VAL 28 3.375 -1.970 3.594 201 HG11 VAL 28 HG11 VAL 28 0.435 -2.564 3.024 202 HG12 VAL 28 HG12 VAL 28 1.221 -0.979 2.852 203 HG13 VAL 28 HG13 VAL 28 1.709 -2.316 1.811 204 HG21 VAL 28 HG21 VAL 28 2.690 -2.170 5.986 205 HG22 VAL 28 HG22 VAL 28 1.839 -0.858 5.169 206 HG23 VAL 28 HG23 VAL 28 1.007 -2.398 5.477 207 H ARG 29 H ARG 29 4.835 -3.901 2.488 208 HA ARG 29 HA ARG 29 3.858 -4.723 -0.082 209 HB2 ARG 29 HB2 ARG 29 5.926 -3.423 0.348 210 HB3 ARG 29 HB3 ARG 29 6.682 -4.855 1.062 211 HG2 ARG 29 HG2 ARG 29 6.590 -6.029 -1.088 212 HG3 ARG 29 HG3 ARG 29 5.621 -4.731 -1.797 213 HD2 ARG 29 HD2 ARG 29 7.933 -4.531 -2.551 214 HD3 ARG 29 HD3 ARG 29 7.480 -3.152 -1.560 215 HE ARG 29 HE ARG 29 9.028 -3.759 0.054 216 HH11 ARG 29 HH11 ARG 29 8.777 -6.476 -2.149 217 HH12 ARG 29 HH12 ARG 29 10.169 -7.268 -1.464 218 HH21 ARG 29 HH21 ARG 29 10.797 -4.826 0.868 219 HH22 ARG 29 HH22 ARG 29 11.269 -6.357 0.196 220 H THR 30 H THR 30 5.292 -6.640 2.566 221 HA THR 30 HA THR 30 5.123 -9.198 1.254 222 HB THR 30 HB THR 30 4.976 -8.520 4.215 223 HG1 THR 30 HG1 THR 30 6.900 -7.918 3.357 224 HG21 THR 30 HG21 THR 30 4.139 -10.800 3.910 225 HG22 THR 30 HG22 THR 30 5.787 -10.858 4.545 226 HG23 THR 30 HG23 THR 30 5.494 -11.182 2.822 227 H LYS 31 H LYS 31 2.714 -7.353 3.177 228 HA LYS 31 HA LYS 31 0.647 -9.334 3.134 229 HB2 LYS 31 HB2 LYS 31 0.878 -6.828 4.294 230 HB3 LYS 31 HB3 LYS 31 -0.145 -6.443 2.937 231 HG2 LYS 31 HG2 LYS 31 -1.819 -7.027 4.317 232 HG3 LYS 31 HG3 LYS 31 -1.441 -8.670 3.827 233 HD2 LYS 31 HD2 LYS 31 -0.607 -7.225 6.382 234 HD3 LYS 31 HD3 LYS 31 -1.705 -8.581 6.210 235 HE2 LYS 31 HE2 LYS 31 0.052 -9.792 6.901 236 HE3 LYS 31 HE3 LYS 31 0.477 -9.784 5.195 237 HZ1 LYS 31 HZ1 LYS 31 1.982 -7.863 5.701 238 HZ2 LYS 31 HZ2 LYS 31 2.361 -9.166 6.614 239 HZ3 LYS 31 HZ3 LYS 31 1.536 -7.929 7.274 240 H VAL 32 H VAL 32 1.268 -6.632 0.892 241 HA VAL 32 HA VAL 32 -0.739 -7.178 -1.042 242 HB VAL 32 HB VAL 32 2.001 -5.890 -1.210 243 HG11 VAL 32 HG11 VAL 32 1.410 -5.011 -3.435 244 HG12 VAL 32 HG12 VAL 32 1.633 -6.750 -3.469 245 HG13 VAL 32 HG13 VAL 32 -0.014 -6.084 -3.478 246 HG21 VAL 32 HG21 VAL 32 0.703 -3.834 -1.421 247 HG22 VAL 32 HG22 VAL 32 -0.818 -4.755 -1.440 248 HG23 VAL 32 HG23 VAL 32 0.185 -4.707 0.024 249 H CYS 33 H CYS 33 2.657 -8.381 -1.000 250 HA CYS 33 HA CYS 33 2.475 -9.984 -3.323 251 HB2 CYS 33 HB2 CYS 33 4.556 -9.275 -2.173 252 HB3 CYS 33 HB3 CYS 33 4.181 -10.359 -0.821 253 HG CYS 33 HG CYS 33 6.089 -11.397 -2.313 254 H ALA 34 H ALA 34 1.842 -10.934 0.100 255 HA ALA 34 HA ALA 34 1.172 -13.653 -0.468 256 HB1 ALA 34 HB1 ALA 34 1.857 -12.814 1.745 257 HB2 ALA 34 HB2 ALA 34 0.370 -11.844 1.854 258 HB3 ALA 34 HB3 ALA 34 0.278 -13.619 1.831 259 H MET 35 H MET 35 -0.934 -10.741 -0.178 260 HA MET 35 HA MET 35 -3.423 -12.147 -0.492 261 HB2 MET 35 HB2 MET 35 -2.605 -9.241 -0.854 262 HB3 MET 35 HB3 MET 35 -4.265 -9.801 -1.093 263 HG2 MET 35 HG2 MET 35 -4.420 -10.611 1.170 264 HG3 MET 35 HG3 MET 35 -2.722 -10.261 1.485 265 HE1 MET 35 HE1 MET 35 -4.827 -7.761 3.742 266 HE2 MET 35 HE2 MET 35 -5.432 -9.334 3.181 267 HE3 MET 35 HE3 MET 35 -3.752 -9.178 3.736 268 H LYS 36 H LYS 36 -1.353 -10.464 -2.908 269 HA LYS 36 HA LYS 36 -3.137 -11.189 -5.131 270 HB2 LYS 36 HB2 LYS 36 -0.399 -9.868 -4.956 271 HB3 LYS 36 HB3 LYS 36 -1.142 -10.299 -6.479 272 HG2 LYS 36 HG2 LYS 36 -3.223 -8.928 -5.130 273 HG3 LYS 36 HG3 LYS 36 -1.761 -8.057 -4.662 274 HD2 LYS 36 HD2 LYS 36 -2.614 -7.036 -6.686 275 HD3 LYS 36 HD3 LYS 36 -1.133 -7.928 -7.080 276 HE2 LYS 36 HE2 LYS 36 -2.953 -9.887 -7.549 277 HE3 LYS 36 HE3 LYS 36 -4.002 -8.498 -7.823 278 HZ1 LYS 36 HZ1 LYS 36 -2.871 -9.238 -9.868 279 HZ2 LYS 36 HZ2 LYS 36 -1.401 -8.964 -9.200 280 HZ3 LYS 36 HZ3 LYS 36 -2.393 -7.723 -9.516 281 H LYS 37 H LYS 37 -0.430 -12.757 -3.622 282 HA LYS 37 HA LYS 37 0.742 -14.625 -4.032 283 HB2 LYS 37 HB2 LYS 37 -1.875 -15.314 -4.454 284 HB3 LYS 37 HB3 LYS 37 -1.182 -15.850 -5.964 285 HG2 LYS 37 HG2 LYS 37 -0.234 -16.614 -3.157 286 HG3 LYS 37 HG3 LYS 37 -1.332 -17.572 -4.136 287 HD2 LYS 37 HD2 LYS 37 1.574 -16.980 -4.842 288 HD3 LYS 37 HD3 LYS 37 0.954 -18.472 -4.130 289 HE2 LYS 37 HE2 LYS 37 -0.504 -18.841 -6.107 290 HE3 LYS 37 HE3 LYS 37 0.121 -17.362 -6.843 291 HZ1 LYS 37 HZ1 LYS 37 2.332 -18.363 -6.859 292 HZ2 LYS 37 HZ2 LYS 37 1.292 -19.318 -7.665 293 HZ3 LYS 37 HZ3 LYS 37 1.767 -19.741 -6.166 294 H LEU 38 H LEU 38 1.219 -12.322 -5.667 295 HA LEU 38 HA LEU 38 2.787 -13.498 -7.876 296 HB2 LEU 38 HB2 LEU 38 0.519 -11.509 -8.177 297 HB3 LEU 38 HB3 LEU 38 1.961 -11.267 -9.120 298 HG LEU 38 HG LEU 38 1.606 -13.889 -9.708 299 HD11 LEU 38 HD11 LEU 38 -1.216 -12.773 -9.366 300 HD12 LEU 38 HD12 LEU 38 -0.512 -14.102 -8.429 301 HD13 LEU 38 HD13 LEU 38 -0.780 -14.303 -10.161 302 HD21 LEU 38 HD21 LEU 38 0.199 -11.555 -11.062 303 HD22 LEU 38 HD22 LEU 38 0.536 -13.141 -11.796 304 HD23 LEU 38 HD23 LEU 38 1.874 -12.082 -11.334 305 HA PRO 39 HA PRO 39 5.936 -10.949 -6.372 306 HB2 PRO 39 HB2 PRO 39 7.514 -10.415 -8.563 307 HB3 PRO 39 HB3 PRO 39 7.293 -12.056 -7.885 308 HG2 PRO 39 HG2 PRO 39 5.786 -10.780 -10.197 309 HG3 PRO 39 HG3 PRO 39 6.623 -12.368 -10.169 310 HD2 PRO 39 HD2 PRO 39 3.968 -12.193 -9.726 311 HD3 PRO 39 HD3 PRO 39 4.970 -13.317 -8.763 312 HA PRO 40 HA PRO 40 5.278 -6.557 -6.729 313 HB2 PRO 40 HB2 PRO 40 7.768 -5.456 -6.345 314 HB3 PRO 40 HB3 PRO 40 6.806 -6.232 -5.051 315 HG2 PRO 40 HG2 PRO 40 8.995 -7.488 -6.744 316 HG3 PRO 40 HG3 PRO 40 8.836 -7.504 -4.956 317 HD2 PRO 40 HD2 PRO 40 7.987 -9.589 -6.431 318 HD3 PRO 40 HD3 PRO 40 7.012 -9.025 -5.045 319 H ASP 41 H ASP 41 7.399 -8.129 -9.013 320 HA ASP 41 HA ASP 41 7.827 -5.927 -10.825 321 HB2 ASP 41 HB2 ASP 41 7.731 -8.927 -11.318 322 HB3 ASP 41 HB3 ASP 41 8.296 -7.728 -12.479 323 H THR 42 H THR 42 5.066 -8.105 -10.352 324 HA THR 42 HA THR 42 3.698 -7.019 -12.774 325 HB THR 42 HB THR 42 2.069 -8.882 -12.355 326 HG1 THR 42 HG1 THR 42 2.634 -9.237 -10.146 327 HG21 THR 42 HG21 THR 42 4.971 -9.730 -12.746 328 HG22 THR 42 HG22 THR 42 3.875 -9.128 -14.013 329 HG23 THR 42 HG23 THR 42 3.528 -10.660 -13.195 330 H THR 43 H THR 43 3.735 -6.457 -9.406 331 HA THR 43 HA THR 43 1.456 -4.630 -9.734 332 HB THR 43 HB THR 43 1.457 -6.746 -7.550 333 HG1 THR 43 HG1 THR 43 0.541 -7.106 -9.738 334 HG21 THR 43 HG21 THR 43 -0.332 -4.301 -7.925 335 HG22 THR 43 HG22 THR 43 0.732 -4.634 -6.537 336 HG23 THR 43 HG23 THR 43 -0.678 -5.643 -6.821 337 H ARG 44 H ARG 44 2.036 -2.713 -8.965 338 HA ARG 44 HA ARG 44 4.113 -2.557 -6.805 339 HB2 ARG 44 HB2 ARG 44 4.860 -0.467 -7.715 340 HB3 ARG 44 HB3 ARG 44 4.927 -1.724 -8.947 341 HG2 ARG 44 HG2 ARG 44 2.877 -0.853 -9.999 342 HG3 ARG 44 HG3 ARG 44 2.710 0.362 -8.713 343 HD2 ARG 44 HD2 ARG 44 4.877 1.372 -9.385 344 HD3 ARG 44 HD3 ARG 44 5.065 0.139 -10.629 345 HE ARG 44 HE ARG 44 3.598 1.257 -12.007 346 HH11 ARG 44 HH11 ARG 44 3.217 2.699 -8.831 347 HH12 ARG 44 HH12 ARG 44 2.264 4.017 -9.450 348 HH21 ARG 44 HH21 ARG 44 2.422 2.990 -12.724 349 HH22 ARG 44 HH22 ARG 44 1.838 4.176 -11.597 350 H LEU 45 H LEU 45 4.083 -0.741 -5.418 351 HA LEU 45 HA LEU 45 1.370 0.254 -4.649 352 HB2 LEU 45 HB2 LEU 45 1.979 -1.585 -3.180 353 HB3 LEU 45 HB3 LEU 45 3.605 -0.951 -2.980 354 HG LEU 45 HG LEU 45 2.728 0.993 -1.714 355 HD11 LEU 45 HD11 LEU 45 0.421 1.129 -2.606 356 HD12 LEU 45 HD12 LEU 45 0.430 0.946 -0.851 357 HD13 LEU 45 HD13 LEU 45 0.045 -0.448 -1.877 358 HD21 LEU 45 HD21 LEU 45 2.171 -0.252 0.315 359 HD22 LEU 45 HD22 LEU 45 3.484 -1.052 -0.563 360 HD23 LEU 45 HD23 LEU 45 1.835 -1.710 -0.646 361 H THR 46 H THR 46 1.253 2.424 -4.369 362 HA THR 46 HA THR 46 3.659 3.919 -3.479 363 HB THR 46 HB THR 46 3.172 5.807 -4.972 364 HG1 THR 46 HG1 THR 46 1.849 5.534 -6.718 365 HG21 THR 46 HG21 THR 46 4.146 4.935 -7.009 366 HG22 THR 46 HG22 THR 46 3.709 3.270 -6.559 367 HG23 THR 46 HG23 THR 46 4.922 4.162 -5.619 368 H TYR 47 H TYR 47 3.233 5.975 -2.584 369 HA TYR 47 HA TYR 47 0.576 6.309 -1.254 370 HB2 TYR 47 HB2 TYR 47 1.849 5.179 0.379 371 HB3 TYR 47 HB3 TYR 47 3.339 5.965 -0.104 372 HD1 TYR 47 HD1 TYR 47 0.089 6.597 1.632 373 HD2 TYR 47 HD2 TYR 47 4.114 7.963 0.900 374 HE1 TYR 47 HE1 TYR 47 -0.200 8.398 3.325 375 HE2 TYR 47 HE2 TYR 47 3.836 9.720 2.645 376 HH TYR 47 HH TYR 47 0.823 10.049 4.559 377 H LYS 48 H LYS 48 -0.123 8.383 -1.358 378 HA LYS 48 HA LYS 48 -0.247 10.541 -2.146 379 HB2 LYS 48 HB2 LYS 48 1.068 10.629 0.106 380 HB3 LYS 48 HB3 LYS 48 2.471 10.985 -0.889 381 HG2 LYS 48 HG2 LYS 48 0.725 12.860 -1.883 382 HG3 LYS 48 HG3 LYS 48 0.005 12.613 -0.302 383 HD2 LYS 48 HD2 LYS 48 1.503 14.457 -0.105 384 HD3 LYS 48 HD3 LYS 48 2.294 13.100 0.720 385 HE2 LYS 48 HE2 LYS 48 3.669 12.678 -1.316 386 HE3 LYS 48 HE3 LYS 48 2.828 13.974 -2.164 387 HZ1 LYS 48 HZ1 LYS 48 4.948 14.739 -1.272 388 HZ2 LYS 48 HZ2 LYS 48 4.524 14.345 0.250 389 HZ3 LYS 48 HZ3 LYS 48 3.740 15.546 -0.539 390 H GLY 49 H GLY 49 0.848 8.708 -4.064 391 HA2 GLY 49 HA2 GLY 49 1.647 8.774 -6.234 392 HA3 GLY 49 HA3 GLY 49 2.005 10.489 -6.050 393 H ARG 50 H ARG 50 3.578 8.868 -3.545 394 HA ARG 50 HA ARG 50 6.188 8.832 -4.986 395 HB2 ARG 50 HB2 ARG 50 5.331 10.130 -2.628 396 HB3 ARG 50 HB3 ARG 50 6.217 8.750 -2.024 397 HG2 ARG 50 HG2 ARG 50 7.272 10.903 -3.919 398 HG3 ARG 50 HG3 ARG 50 7.568 10.770 -2.194 399 HD2 ARG 50 HD2 ARG 50 9.509 9.882 -2.930 400 HD3 ARG 50 HD3 ARG 50 8.562 8.398 -2.797 401 HE ARG 50 HE ARG 50 8.402 9.663 -5.438 402 HH11 ARG 50 HH11 ARG 50 10.522 7.622 -3.536 403 HH12 ARG 50 HH12 ARG 50 11.446 7.135 -4.931 404 HH21 ARG 50 HH21 ARG 50 9.541 8.904 -7.185 405 HH22 ARG 50 HH22 ARG 50 10.870 7.812 -6.945 406 H ALA 51 H ALA 51 7.596 7.080 -4.767 407 HA ALA 51 HA ALA 51 6.472 4.493 -3.921 408 HB1 ALA 51 HB1 ALA 51 7.870 4.639 -5.941 409 HB2 ALA 51 HB2 ALA 51 9.234 5.237 -4.968 410 HB3 ALA 51 HB3 ALA 51 8.612 3.595 -4.712 411 H LEU 52 H LEU 52 6.556 3.766 -1.894 412 HA LEU 52 HA LEU 52 8.373 4.920 0.137 413 HB2 LEU 52 HB2 LEU 52 6.141 2.858 0.211 414 HB3 LEU 52 HB3 LEU 52 7.181 3.168 1.591 415 HG LEU 52 HG LEU 52 5.509 5.343 0.286 416 HD11 LEU 52 HD11 LEU 52 4.919 3.614 2.732 417 HD12 LEU 52 HD12 LEU 52 4.043 3.581 1.185 418 HD13 LEU 52 HD13 LEU 52 3.974 5.022 2.215 419 HD21 LEU 52 HD21 LEU 52 7.388 6.210 1.637 420 HD22 LEU 52 HD22 LEU 52 6.911 5.167 2.994 421 HD23 LEU 52 HD23 LEU 52 5.854 6.492 2.465 422 H LYS 53 H LYS 53 10.198 4.026 0.816 423 HA LYS 53 HA LYS 53 10.651 1.180 0.867 424 HB2 LYS 53 HB2 LYS 53 11.366 2.082 -1.554 425 HB3 LYS 53 HB3 LYS 53 12.750 2.721 -0.700 426 HG2 LYS 53 HG2 LYS 53 13.374 0.606 -1.622 427 HG3 LYS 53 HG3 LYS 53 13.282 0.401 0.116 428 HD2 LYS 53 HD2 LYS 53 12.334 -1.540 -1.044 429 HD3 LYS 53 HD3 LYS 53 11.105 -0.737 -0.087 430 HE2 LYS 53 HE2 LYS 53 10.111 -1.375 -2.169 431 HE3 LYS 53 HE3 LYS 53 10.233 0.382 -2.148 432 HZ1 LYS 53 HZ1 LYS 53 12.221 0.181 -3.569 433 HZ2 LYS 53 HZ2 LYS 53 10.952 -0.554 -4.279 434 HZ3 LYS 53 HZ3 LYS 53 12.111 -1.448 -3.559 435 H ASP 54 H ASP 54 12.247 0.619 2.347 436 HA ASP 54 HA ASP 54 13.441 0.807 4.250 437 HB2 ASP 54 HB2 ASP 54 15.010 1.261 2.318 438 HB3 ASP 54 HB3 ASP 54 14.943 2.969 2.744 439 H THR 55 H THR 55 11.082 2.475 4.352 440 HA THR 55 HA THR 55 11.749 5.010 5.674 441 HB THR 55 HB THR 55 9.125 3.585 5.142 442 HG1 THR 55 HG1 THR 55 10.634 4.483 3.429 443 HG21 THR 55 HG21 THR 55 8.047 5.808 5.357 444 HG22 THR 55 HG22 THR 55 9.570 6.464 5.991 445 HG23 THR 55 HG23 THR 55 8.679 5.218 6.896 446 H GLU 56 H GLU 56 11.072 1.802 6.741 447 HA GLU 56 HA GLU 56 10.739 0.725 8.671 448 HB2 GLU 56 HB2 GLU 56 11.909 3.142 10.073 449 HB3 GLU 56 HB3 GLU 56 11.656 1.530 10.752 450 HG2 GLU 56 HG2 GLU 56 13.166 0.597 8.964 451 HG3 GLU 56 HG3 GLU 56 13.543 2.254 8.474 452 H THR 57 H THR 57 9.610 4.092 9.280 453 HA THR 57 HA THR 57 6.910 3.139 9.859 454 HB THR 57 HB THR 57 7.823 2.660 12.021 455 HG1 THR 57 HG1 THR 57 6.579 4.083 13.239 456 HG21 THR 57 HG21 THR 57 9.846 4.103 12.044 457 HG22 THR 57 HG22 THR 57 8.847 4.337 13.482 458 HG23 THR 57 HG23 THR 57 8.812 5.542 12.180 459 H LEU 58 H LEU 58 5.372 4.718 9.675 460 HA LEU 58 HA LEU 58 6.088 7.165 8.310 461 HB2 LEU 58 HB2 LEU 58 3.525 5.949 9.383 462 HB3 LEU 58 HB3 LEU 58 3.539 7.628 8.897 463 HG LEU 58 HG LEU 58 2.672 6.163 7.154 464 HD11 LEU 58 HD11 LEU 58 3.733 8.325 6.570 465 HD12 LEU 58 HD12 LEU 58 3.862 7.123 5.279 466 HD13 LEU 58 HD13 LEU 58 5.274 7.485 6.286 467 HD21 LEU 58 HD21 LEU 58 4.104 4.169 7.522 468 HD22 LEU 58 HD22 LEU 58 5.488 5.056 6.837 469 HD23 LEU 58 HD23 LEU 58 4.071 4.700 5.833 470 H GLU 59 H GLU 59 5.622 6.430 11.751 471 HA GLU 59 HA GLU 59 5.094 9.153 12.523 472 HB2 GLU 59 HB2 GLU 59 5.144 8.430 14.720 473 HB3 GLU 59 HB3 GLU 59 4.570 7.049 13.816 474 HG2 GLU 59 HG2 GLU 59 6.052 5.982 15.180 475 HG3 GLU 59 HG3 GLU 59 7.120 6.316 13.825 476 H SER 60 H SER 60 8.062 7.624 11.632 477 HA SER 60 HA SER 60 9.849 9.546 12.921 478 HB2 SER 60 HB2 SER 60 10.566 7.260 12.336 479 HB3 SER 60 HB3 SER 60 10.286 7.602 10.622 480 HG SER 60 HG SER 60 12.237 8.728 12.364 481 H LEU 61 H LEU 61 8.300 9.239 9.730 482 HA LEU 61 HA LEU 61 9.696 11.604 8.643 483 HB2 LEU 61 HB2 LEU 61 7.808 9.505 7.516 484 HB3 LEU 61 HB3 LEU 61 8.212 10.950 6.616 485 HG LEU 61 HG LEU 61 9.511 9.041 5.889 486 HD11 LEU 61 HD11 LEU 61 11.321 11.098 7.210 487 HD12 LEU 61 HD12 LEU 61 10.451 11.323 5.675 488 HD13 LEU 61 HD13 LEU 61 11.696 10.071 5.814 489 HD21 LEU 61 HD21 LEU 61 11.264 8.006 7.156 490 HD22 LEU 61 HD22 LEU 61 9.758 7.850 8.075 491 HD23 LEU 61 HD23 LEU 61 10.977 9.058 8.550 492 H GLY 62 H GLY 62 6.420 10.736 9.691 493 HA2 GLY 62 HA2 GLY 62 5.320 12.915 10.681 494 HA3 GLY 62 HA3 GLY 62 5.343 13.427 8.994 495 H VAL 63 H VAL 63 3.969 11.154 11.291 496 HA VAL 63 HA VAL 63 2.185 9.832 9.400 497 HB VAL 63 HB VAL 63 3.109 8.675 11.339 498 HG11 VAL 63 HG11 VAL 63 1.278 10.382 13.077 499 HG12 VAL 63 HG12 VAL 63 2.279 9.016 13.604 500 HG13 VAL 63 HG13 VAL 63 3.047 10.502 13.034 501 HG21 VAL 63 HG21 VAL 63 1.156 7.470 12.025 502 HG22 VAL 63 HG22 VAL 63 0.083 8.799 11.554 503 HG23 VAL 63 HG23 VAL 63 0.988 7.894 10.315 504 H ALA 64 H ALA 64 -0.065 10.012 9.210 505 HA ALA 64 HA ALA 64 -1.558 12.024 10.728 506 HB1 ALA 64 HB1 ALA 64 -1.195 12.263 7.706 507 HB2 ALA 64 HB2 ALA 64 -2.293 13.243 8.699 508 HB3 ALA 64 HB3 ALA 64 -0.541 13.381 8.923 509 H ASP 65 H ASP 65 -3.859 11.872 10.442 510 HA ASP 65 HA ASP 65 -4.976 9.327 9.489 511 HB2 ASP 65 HB2 ASP 65 -6.234 11.940 10.403 512 HB3 ASP 65 HB3 ASP 65 -7.166 10.569 9.801 513 H GLY 66 H GLY 66 -6.182 8.987 7.634 514 HA2 GLY 66 HA2 GLY 66 -7.032 9.389 5.505 515 HA3 GLY 66 HA3 GLY 66 -6.510 11.073 5.579 516 H ASP 67 H ASP 67 -4.005 8.802 6.353 517 HA ASP 67 HA ASP 67 -2.429 9.237 3.995 518 HB2 ASP 67 HB2 ASP 67 -2.387 7.138 6.183 519 HB3 ASP 67 HB3 ASP 67 -1.338 7.002 4.786 520 H LYS 68 H LYS 68 -2.325 8.264 2.066 521 HA LYS 68 HA LYS 68 -4.468 6.304 1.404 522 HB2 LYS 68 HB2 LYS 68 -5.111 7.640 -0.494 523 HB3 LYS 68 HB3 LYS 68 -5.267 8.542 1.008 524 HG2 LYS 68 HG2 LYS 68 -2.999 9.645 0.453 525 HG3 LYS 68 HG3 LYS 68 -3.089 8.817 -1.101 526 HD2 LYS 68 HD2 LYS 68 -3.952 10.794 -1.736 527 HD3 LYS 68 HD3 LYS 68 -5.461 10.023 -1.277 528 HE2 LYS 68 HE2 LYS 68 -3.792 11.902 0.482 529 HE3 LYS 68 HE3 LYS 68 -5.156 12.404 -0.514 530 HZ1 LYS 68 HZ1 LYS 68 -5.927 12.100 1.698 531 HZ2 LYS 68 HZ2 LYS 68 -5.299 10.615 1.856 532 HZ3 LYS 68 HZ3 LYS 68 -6.564 10.877 0.831 533 H PHE 69 H PHE 69 -4.059 4.742 0.116 534 HA PHE 69 HA PHE 69 -1.356 4.505 -1.150 535 HB2 PHE 69 HB2 PHE 69 -2.996 2.444 0.369 536 HB3 PHE 69 HB3 PHE 69 -1.443 2.161 -0.388 537 HD1 PHE 69 HD1 PHE 69 -3.182 3.748 2.472 538 HD2 PHE 69 HD2 PHE 69 0.642 3.012 0.619 539 HE1 PHE 69 HE1 PHE 69 -2.033 4.477 4.548 540 HE2 PHE 69 HE2 PHE 69 1.785 3.727 2.708 541 HZ PHE 69 HZ PHE 69 0.450 4.472 4.668 542 H VAL 70 H VAL 70 -1.281 3.776 -3.214 543 HA VAL 70 HA VAL 70 -3.777 2.651 -4.426 544 HB VAL 70 HB VAL 70 -3.519 4.882 -5.232 545 HG11 VAL 70 HG11 VAL 70 -1.635 5.632 -6.590 546 HG12 VAL 70 HG12 VAL 70 -1.074 5.212 -4.968 547 HG13 VAL 70 HG13 VAL 70 -0.792 4.096 -6.322 548 HG21 VAL 70 HG21 VAL 70 -4.344 3.140 -6.812 549 HG22 VAL 70 HG22 VAL 70 -3.526 4.477 -7.627 550 HG23 VAL 70 HG23 VAL 70 -2.689 2.928 -7.419 551 H LEU 71 H LEU 71 -3.667 0.839 -5.521 552 HA LEU 71 HA LEU 71 -1.001 -0.494 -5.752 553 HB2 LEU 71 HB2 LEU 71 -3.084 -1.381 -4.232 554 HB3 LEU 71 HB3 LEU 71 -3.524 -2.094 -5.784 555 HG LEU 71 HG LEU 71 -1.124 -3.001 -5.890 556 HD11 LEU 71 HD11 LEU 71 -1.309 -2.430 -2.896 557 HD12 LEU 71 HD12 LEU 71 -0.234 -1.585 -4.030 558 HD13 LEU 71 HD13 LEU 71 -0.014 -3.309 -3.737 559 HD21 LEU 71 HD21 LEU 71 -1.736 -4.948 -4.498 560 HD22 LEU 71 HD22 LEU 71 -3.102 -4.410 -5.480 561 HD23 LEU 71 HD23 LEU 71 -3.045 -4.010 -3.747 562 H ILE 72 H ILE 72 -0.253 -0.605 -7.736 563 HA ILE 72 HA ILE 72 -2.155 -0.590 -10.057 564 HB ILE 72 HB ILE 72 0.722 0.326 -9.940 565 HG12 ILE 72 HG12 ILE 72 -0.698 1.940 -8.814 566 HG13 ILE 72 HG13 ILE 72 -0.138 2.572 -10.346 567 HG21 ILE 72 HG21 ILE 72 0.302 -0.596 -12.133 568 HG22 ILE 72 HG22 ILE 72 -1.258 0.238 -12.253 569 HG23 ILE 72 HG23 ILE 72 0.258 1.162 -12.268 570 HD11 ILE 72 HD11 ILE 72 -2.457 3.197 -9.986 571 HD12 ILE 72 HD12 ILE 72 -2.369 2.099 -11.369 572 HD13 ILE 72 HD13 ILE 72 -2.942 1.507 -9.789 573 H THR 73 H THR 73 -2.624 -2.657 -10.180 574 HA THR 73 HA THR 73 -0.594 -4.763 -10.560 575 HB THR 73 HB THR 73 -2.606 -5.342 -9.383 576 HG1 THR 73 HG1 THR 73 -2.823 -6.516 -11.943 577 HG21 THR 73 HG21 THR 73 -4.301 -3.861 -10.274 578 HG22 THR 73 HG22 THR 73 -4.787 -5.536 -10.556 579 HG23 THR 73 HG23 THR 73 -4.147 -4.571 -11.897 580 H ARG 74 H ARG 74 -0.266 -5.890 -12.521 581 HA ARG 74 HA ARG 74 -1.155 -4.494 -15.011 582 HB2 ARG 74 HB2 ARG 74 1.261 -4.030 -14.054 583 HB3 ARG 74 HB3 ARG 74 1.646 -5.605 -14.756 584 HG2 ARG 74 HG2 ARG 74 0.874 -4.773 -16.984 585 HG3 ARG 74 HG3 ARG 74 0.389 -3.242 -16.231 586 HD2 ARG 74 HD2 ARG 74 2.859 -3.030 -15.466 587 HD3 ARG 74 HD3 ARG 74 3.197 -4.346 -16.584 588 HE ARG 74 HE ARG 74 2.859 -2.915 -18.401 589 HH11 ARG 74 HH11 ARG 74 1.842 -1.200 -15.511 590 HH12 ARG 74 HH12 ARG 74 1.729 0.323 -16.348 591 HH21 ARG 74 HH21 ARG 74 2.691 -0.932 -19.396 592 HH22 ARG 74 HH22 ARG 74 2.202 0.465 -18.482 593 H THR 75 H THR 75 -1.646 -5.685 -16.744 594 HA THR 75 HA THR 75 -2.580 -8.311 -16.306 595 HB THR 75 HB THR 75 -2.177 -7.035 -19.033 596 HG1 THR 75 HG1 THR 75 -4.071 -5.944 -18.691 597 HG21 THR 75 HG21 THR 75 -4.361 -8.117 -19.514 598 HG22 THR 75 HG22 THR 75 -4.393 -8.808 -17.884 599 HG23 THR 75 HG23 THR 75 -3.154 -9.318 -19.068 600 H VAL 76 H VAL 76 -1.947 -10.330 -16.995 601 HA VAL 76 HA VAL 76 0.663 -10.634 -18.448 602 HB VAL 76 HB VAL 76 -0.232 -12.261 -16.045 603 HG11 VAL 76 HG11 VAL 76 0.989 -13.688 -17.631 604 HG12 VAL 76 HG12 VAL 76 2.280 -12.469 -17.763 605 HG13 VAL 76 HG13 VAL 76 2.005 -13.334 -16.234 606 HG21 VAL 76 HG21 VAL 76 2.078 -10.296 -16.378 607 HG22 VAL 76 HG22 VAL 76 0.649 -10.077 -15.344 608 HG23 VAL 76 HG23 VAL 76 1.812 -11.347 -14.968 609 H GLY 77 H GLY 77 -2.330 -12.394 -17.481 610 HA2 GLY 77 HA2 GLY 77 -3.029 -13.217 -20.129 611 HA3 GLY 77 HA3 GLY 77 -2.149 -14.521 -19.330 Start of MODEL 10 1 HA MET 1 HA MET 1 -6.251 5.609 13.289 2 HB2 MET 1 HB2 MET 1 -7.431 8.326 12.577 3 HB3 MET 1 HB3 MET 1 -8.387 6.929 13.068 4 HG2 MET 1 HG2 MET 1 -8.109 8.270 14.974 5 HG3 MET 1 HG3 MET 1 -7.136 6.819 15.216 6 HE1 MET 1 HE1 MET 1 -6.193 8.260 17.347 7 HE2 MET 1 HE2 MET 1 -5.367 9.825 17.170 8 HE3 MET 1 HE3 MET 1 -7.106 9.700 16.840 9 H LYS 2 H LYS 2 -7.947 7.321 10.684 10 HA LYS 2 HA LYS 2 -8.182 4.766 9.241 11 HB2 LYS 2 HB2 LYS 2 -9.524 7.470 8.861 12 HB3 LYS 2 HB3 LYS 2 -9.829 6.040 7.860 13 HG2 LYS 2 HG2 LYS 2 -10.599 4.781 9.884 14 HG3 LYS 2 HG3 LYS 2 -10.394 6.264 10.840 15 HD2 LYS 2 HD2 LYS 2 -12.023 7.442 9.402 16 HD3 LYS 2 HD3 LYS 2 -12.184 5.992 8.390 17 HE2 LYS 2 HE2 LYS 2 -13.011 4.734 10.379 18 HE3 LYS 2 HE3 LYS 2 -12.915 6.211 11.348 19 HZ1 LYS 2 HZ1 LYS 2 -14.588 5.886 8.910 20 HZ2 LYS 2 HZ2 LYS 2 -14.530 7.225 9.841 21 HZ3 LYS 2 HZ3 LYS 2 -15.161 5.837 10.437 22 H ILE 3 H ILE 3 -7.604 4.327 7.260 23 HA ILE 3 HA ILE 3 -6.147 6.257 5.526 24 HB ILE 3 HB ILE 3 -5.341 3.405 6.246 25 HG12 ILE 3 HG12 ILE 3 -4.585 5.029 7.934 26 HG13 ILE 3 HG13 ILE 3 -3.257 4.289 7.060 27 HG21 ILE 3 HG21 ILE 3 -3.384 3.779 4.717 28 HG22 ILE 3 HG22 ILE 3 -4.922 3.628 3.895 29 HG23 ILE 3 HG23 ILE 3 -4.187 5.235 4.094 30 HD11 ILE 3 HD11 ILE 3 -2.892 6.688 7.510 31 HD12 ILE 3 HD12 ILE 3 -2.845 6.292 5.787 32 HD13 ILE 3 HD13 ILE 3 -4.273 7.097 6.480 33 H LYS 4 H LYS 4 -6.660 6.062 3.379 34 HA LYS 4 HA LYS 4 -8.649 3.963 2.586 35 HB2 LYS 4 HB2 LYS 4 -8.374 6.725 1.851 36 HB3 LYS 4 HB3 LYS 4 -8.055 5.748 0.408 37 HG2 LYS 4 HG2 LYS 4 -10.183 4.562 0.687 38 HG3 LYS 4 HG3 LYS 4 -10.481 5.427 2.203 39 HD2 LYS 4 HD2 LYS 4 -10.430 7.598 0.925 40 HD3 LYS 4 HD3 LYS 4 -10.300 6.661 -0.578 41 HE2 LYS 4 HE2 LYS 4 -12.466 5.536 -0.039 42 HE3 LYS 4 HE3 LYS 4 -12.567 6.460 1.460 43 HZ1 LYS 4 HZ1 LYS 4 -12.687 8.497 0.136 44 HZ2 LYS 4 HZ2 LYS 4 -13.883 7.487 -0.299 45 HZ3 LYS 4 HZ3 LYS 4 -12.581 7.659 -1.264 46 H ILE 5 H ILE 5 -8.185 2.375 1.191 47 HA ILE 5 HA ILE 5 -5.532 2.445 -0.199 48 HB ILE 5 HB ILE 5 -5.375 0.069 -0.142 49 HG12 ILE 5 HG12 ILE 5 -7.785 -0.035 1.719 50 HG13 ILE 5 HG13 ILE 5 -7.805 -0.514 0.021 51 HG21 ILE 5 HG21 ILE 5 -4.364 1.515 1.646 52 HG22 ILE 5 HG22 ILE 5 -5.738 1.111 2.697 53 HG23 ILE 5 HG23 ILE 5 -4.628 -0.158 2.141 54 HD11 ILE 5 HD11 ILE 5 -7.607 -2.488 1.384 55 HD12 ILE 5 HD12 ILE 5 -6.102 -2.260 0.472 56 HD13 ILE 5 HD13 ILE 5 -6.172 -1.856 2.204 57 H VAL 6 H VAL 6 -5.477 2.105 -2.311 58 HA VAL 6 HA VAL 6 -8.051 1.563 -3.745 59 HB VAL 6 HB VAL 6 -6.017 3.592 -4.694 60 HG11 VAL 6 HG11 VAL 6 -7.624 2.656 -6.356 61 HG12 VAL 6 HG12 VAL 6 -8.974 3.137 -5.307 62 HG13 VAL 6 HG13 VAL 6 -7.926 4.366 -6.042 63 HG21 VAL 6 HG21 VAL 6 -8.430 4.079 -2.920 64 HG22 VAL 6 HG22 VAL 6 -6.742 4.521 -2.601 65 HG23 VAL 6 HG23 VAL 6 -7.630 5.341 -3.886 66 HA PRO 7 HA PRO 7 -4.842 -1.288 -5.448 67 HB2 PRO 7 HB2 PRO 7 -6.052 -3.670 -5.026 68 HB3 PRO 7 HB3 PRO 7 -5.198 -2.799 -3.721 69 HG2 PRO 7 HG2 PRO 7 -8.182 -2.834 -4.295 70 HG3 PRO 7 HG3 PRO 7 -7.348 -3.089 -2.730 71 HD2 PRO 7 HD2 PRO 7 -8.372 -0.655 -3.493 72 HD3 PRO 7 HD3 PRO 7 -6.912 -0.817 -2.470 73 H ALA 8 H ALA 8 -4.796 -1.614 -7.588 74 HA ALA 8 HA ALA 8 -7.103 -1.249 -9.263 75 HB1 ALA 8 HB1 ALA 8 -5.454 -1.357 -11.069 76 HB2 ALA 8 HB2 ALA 8 -4.849 -0.360 -9.736 77 HB3 ALA 8 HB3 ALA 8 -4.242 -2.019 -9.947 78 H VAL 9 H VAL 9 -7.577 -3.586 -7.706 79 HA VAL 9 HA VAL 9 -7.878 -5.699 -9.776 80 HB VAL 9 HB VAL 9 -7.211 -7.450 -8.132 81 HG11 VAL 9 HG11 VAL 9 -4.816 -7.287 -8.490 82 HG12 VAL 9 HG12 VAL 9 -5.696 -6.777 -9.942 83 HG13 VAL 9 HG13 VAL 9 -4.953 -5.560 -8.878 84 HG21 VAL 9 HG21 VAL 9 -5.826 -5.231 -6.596 85 HG22 VAL 9 HG22 VAL 9 -7.337 -6.006 -6.056 86 HG23 VAL 9 HG23 VAL 9 -5.859 -6.961 -6.222 87 H GLY 10 H GLY 10 -9.407 -7.399 -9.166 88 HA2 GLY 10 HA2 GLY 10 -11.486 -8.094 -8.427 89 HA3 GLY 10 HA3 GLY 10 -11.201 -7.186 -6.942 90 H GLY 11 H GLY 11 -12.737 -5.695 -6.575 91 HA2 GLY 11 HA2 GLY 11 -14.516 -4.589 -8.583 92 HA3 GLY 11 HA3 GLY 11 -14.361 -4.086 -6.898 93 H GLY 12 H GLY 12 -11.305 -3.654 -7.556 94 HA2 GLY 12 HA2 GLY 12 -9.916 -1.965 -8.209 95 HA3 GLY 12 HA3 GLY 12 -11.101 -1.489 -9.418 96 H SER 13 H SER 13 -12.584 -1.395 -6.399 97 HA SER 13 HA SER 13 -12.731 1.511 -6.458 98 HB2 SER 13 HB2 SER 13 -14.537 1.119 -4.764 99 HB3 SER 13 HB3 SER 13 -14.754 0.242 -6.285 100 HG SER 13 HG SER 13 -13.919 -0.776 -3.762 101 HA PRO 14 HA PRO 14 -10.228 2.348 -2.804 102 HB2 PRO 14 HB2 PRO 14 -11.517 4.473 -1.672 103 HB3 PRO 14 HB3 PRO 14 -10.600 4.610 -3.202 104 HG2 PRO 14 HG2 PRO 14 -13.587 4.190 -2.882 105 HG3 PRO 14 HG3 PRO 14 -12.740 5.417 -3.881 106 HD2 PRO 14 HD2 PRO 14 -13.615 3.104 -4.964 107 HD3 PRO 14 HD3 PRO 14 -12.039 3.788 -5.452 108 H LEU 15 H LEU 15 -10.217 1.913 -0.573 109 HA LEU 15 HA LEU 15 -12.756 1.213 0.822 110 HB2 LEU 15 HB2 LEU 15 -11.797 -0.844 -0.220 111 HB3 LEU 15 HB3 LEU 15 -10.277 -0.537 0.612 112 HG LEU 15 HG LEU 15 -11.516 -0.775 2.823 113 HD11 LEU 15 HD11 LEU 15 -13.725 -1.832 0.998 114 HD12 LEU 15 HD12 LEU 15 -13.830 -0.382 2.020 115 HD13 LEU 15 HD13 LEU 15 -13.683 -1.975 2.769 116 HD21 LEU 15 HD21 LEU 15 -11.562 -3.157 0.931 117 HD22 LEU 15 HD22 LEU 15 -11.606 -3.229 2.708 118 HD23 LEU 15 HD23 LEU 15 -10.170 -2.596 1.887 119 H GLU 16 H GLU 16 -12.843 1.978 2.865 120 HA GLU 16 HA GLU 16 -10.508 3.261 4.136 121 HB2 GLU 16 HB2 GLU 16 -13.451 3.303 4.469 122 HB3 GLU 16 HB3 GLU 16 -12.585 3.215 6.002 123 HG2 GLU 16 HG2 GLU 16 -11.281 5.196 5.467 124 HG3 GLU 16 HG3 GLU 16 -11.981 5.259 3.844 125 H LEU 17 H LEU 17 -9.265 2.439 5.691 126 HA LEU 17 HA LEU 17 -10.181 0.217 7.419 127 HB2 LEU 17 HB2 LEU 17 -7.800 0.197 5.552 128 HB3 LEU 17 HB3 LEU 17 -7.657 -0.623 7.096 129 HG LEU 17 HG LEU 17 -9.913 -1.263 5.150 130 HD11 LEU 17 HD11 LEU 17 -8.581 -3.204 4.463 131 HD12 LEU 17 HD12 LEU 17 -7.206 -2.617 5.430 132 HD13 LEU 17 HD13 LEU 17 -7.788 -1.681 4.034 133 HD21 LEU 17 HD21 LEU 17 -9.991 -3.378 6.434 134 HD22 LEU 17 HD22 LEU 17 -10.263 -1.999 7.504 135 HD23 LEU 17 HD23 LEU 17 -8.679 -2.804 7.484 136 H GLU 18 H GLU 18 -9.194 0.131 9.427 137 HA GLU 18 HA GLU 18 -7.700 2.544 10.333 138 HB2 GLU 18 HB2 GLU 18 -9.649 1.905 11.640 139 HB3 GLU 18 HB3 GLU 18 -9.020 0.265 11.846 140 HG2 GLU 18 HG2 GLU 18 -7.134 1.112 13.175 141 HG3 GLU 18 HG3 GLU 18 -7.622 2.779 12.842 142 H VAL 19 H VAL 19 -5.558 2.473 10.856 143 HA VAL 19 HA VAL 19 -4.189 -0.126 11.266 144 HB VAL 19 HB VAL 19 -2.337 0.414 9.790 145 HG11 VAL 19 HG11 VAL 19 -3.329 -0.098 7.654 146 HG12 VAL 19 HG12 VAL 19 -4.181 -0.997 8.919 147 HG13 VAL 19 HG13 VAL 19 -4.926 0.449 8.199 148 HG21 VAL 19 HG21 VAL 19 -2.502 2.160 8.064 149 HG22 VAL 19 HG22 VAL 19 -4.013 2.746 8.797 150 HG23 VAL 19 HG23 VAL 19 -2.475 2.862 9.684 151 H ALA 20 H ALA 20 -2.156 -0.005 12.295 152 HA ALA 20 HA ALA 20 -1.921 2.101 14.269 153 HB1 ALA 20 HB1 ALA 20 -0.009 0.724 15.054 154 HB2 ALA 20 HB2 ALA 20 -1.446 -0.271 14.763 155 HB3 ALA 20 HB3 ALA 20 -0.115 -0.265 13.582 156 HA PRO 21 HA PRO 21 1.056 4.742 12.134 157 HB2 PRO 21 HB2 PRO 21 2.527 5.760 14.212 158 HB3 PRO 21 HB3 PRO 21 0.829 6.225 13.897 159 HG2 PRO 21 HG2 PRO 21 1.852 4.123 15.839 160 HG3 PRO 21 HG3 PRO 21 0.700 5.460 16.166 161 HD2 PRO 21 HD2 PRO 21 -0.173 2.963 15.614 162 HD3 PRO 21 HD3 PRO 21 -1.029 4.383 14.951 163 H ASN 22 H ASN 22 2.071 2.050 14.098 164 HA ASN 22 HA ASN 22 4.865 2.049 13.266 165 HB2 ASN 22 HB2 ASN 22 3.142 0.025 14.758 166 HB3 ASN 22 HB3 ASN 22 4.865 -0.166 14.467 167 HD21 ASN 22 HD21 ASN 22 4.334 -0.368 16.981 168 HD22 ASN 22 HD22 ASN 22 4.722 1.109 17.853 169 H ALA 23 H ALA 23 2.255 1.477 11.339 170 HA ALA 23 HA ALA 23 2.696 -1.067 10.199 171 HB1 ALA 23 HB1 ALA 23 1.407 -0.171 8.285 172 HB2 ALA 23 HB2 ALA 23 0.663 0.240 9.840 173 HB3 ALA 23 HB3 ALA 23 1.578 1.472 8.940 174 H THR 24 H THR 24 4.237 -1.905 8.988 175 HA THR 24 HA THR 24 6.428 -0.246 7.900 176 HB THR 24 HB THR 24 6.178 -3.270 8.002 177 HG1 THR 24 HG1 THR 24 7.391 -3.150 9.864 178 HG21 THR 24 HG21 THR 24 8.671 -3.192 7.959 179 HG22 THR 24 HG22 THR 24 8.594 -1.435 7.715 180 HG23 THR 24 HG23 THR 24 7.957 -2.544 6.482 181 H VAL 25 H VAL 25 6.705 0.179 5.749 182 HA VAL 25 HA VAL 25 4.726 -0.407 3.792 183 HB VAL 25 HB VAL 25 7.621 0.460 3.457 184 HG11 VAL 25 HG11 VAL 25 6.846 -0.445 1.302 185 HG12 VAL 25 HG12 VAL 25 5.357 0.522 1.417 186 HG13 VAL 25 HG13 VAL 25 6.938 1.311 1.233 187 HG21 VAL 25 HG21 VAL 25 6.177 2.040 4.749 188 HG22 VAL 25 HG22 VAL 25 6.655 2.704 3.189 189 HG23 VAL 25 HG23 VAL 25 5.017 2.054 3.407 190 H GLY 26 H GLY 26 7.847 -2.061 4.381 191 HA2 GLY 26 HA2 GLY 26 7.682 -3.980 2.280 192 HA3 GLY 26 HA3 GLY 26 8.592 -4.155 3.784 193 H ALA 27 H ALA 27 6.232 -4.015 5.559 194 HA ALA 27 HA ALA 27 5.342 -6.775 5.434 195 HB1 ALA 27 HB1 ALA 27 4.019 -6.203 7.402 196 HB2 ALA 27 HB2 ALA 27 5.666 -5.579 7.578 197 HB3 ALA 27 HB3 ALA 27 4.325 -4.478 7.164 198 H VAL 28 H VAL 28 3.772 -3.605 4.720 199 HA VAL 28 HA VAL 28 1.233 -4.640 3.898 200 HB VAL 28 HB VAL 28 2.713 -2.125 3.038 201 HG11 VAL 28 HG11 VAL 28 1.065 -2.615 1.291 202 HG12 VAL 28 HG12 VAL 28 -0.192 -2.895 2.519 203 HG13 VAL 28 HG13 VAL 28 0.502 -1.275 2.287 204 HG21 VAL 28 HG21 VAL 28 0.404 -2.561 4.986 205 HG22 VAL 28 HG22 VAL 28 2.085 -2.232 5.444 206 HG23 VAL 28 HG23 VAL 28 1.158 -1.004 4.579 207 H ARG 29 H ARG 29 4.162 -3.967 1.915 208 HA ARG 29 HA ARG 29 3.164 -5.032 -0.555 209 HB2 ARG 29 HB2 ARG 29 5.919 -4.616 0.647 210 HB3 ARG 29 HB3 ARG 29 5.769 -5.483 -0.873 211 HG2 ARG 29 HG2 ARG 29 4.482 -2.759 -0.477 212 HG3 ARG 29 HG3 ARG 29 6.169 -2.918 -0.963 213 HD2 ARG 29 HD2 ARG 29 3.899 -4.251 -2.499 214 HD3 ARG 29 HD3 ARG 29 4.442 -2.621 -2.847 215 HE ARG 29 HE ARG 29 5.955 -5.146 -3.279 216 HH11 ARG 29 HH11 ARG 29 6.014 -1.658 -3.603 217 HH12 ARG 29 HH12 ARG 29 7.351 -1.698 -4.722 218 HH21 ARG 29 HH21 ARG 29 7.680 -5.108 -4.678 219 HH22 ARG 29 HH22 ARG 29 8.269 -3.599 -5.294 220 H THR 30 H THR 30 4.935 -6.735 2.059 221 HA THR 30 HA THR 30 4.932 -9.293 0.814 222 HB THR 30 HB THR 30 4.873 -8.618 3.781 223 HG1 THR 30 HG1 THR 30 6.649 -7.781 2.805 224 HG21 THR 30 HG21 THR 30 5.981 -10.833 4.068 225 HG22 THR 30 HG22 THR 30 5.635 -11.211 2.366 226 HG23 THR 30 HG23 THR 30 4.308 -10.982 3.529 227 H LYS 31 H LYS 31 2.458 -7.863 3.004 228 HA LYS 31 HA LYS 31 0.716 -10.118 3.046 229 HB2 LYS 31 HB2 LYS 31 0.789 -7.592 4.227 230 HB3 LYS 31 HB3 LYS 31 -0.604 -7.446 3.183 231 HG2 LYS 31 HG2 LYS 31 -0.106 -9.667 5.223 232 HG3 LYS 31 HG3 LYS 31 -1.043 -8.217 5.545 233 HD2 LYS 31 HD2 LYS 31 -1.796 -10.336 3.479 234 HD3 LYS 31 HD3 LYS 31 -2.433 -10.213 5.121 235 HE2 LYS 31 HE2 LYS 31 -3.232 -7.876 4.584 236 HE3 LYS 31 HE3 LYS 31 -2.761 -8.148 2.900 237 HZ1 LYS 31 HZ1 LYS 31 -4.328 -10.029 2.853 238 HZ2 LYS 31 HZ2 LYS 31 -5.108 -8.650 3.254 239 HZ3 LYS 31 HZ3 LYS 31 -4.763 -9.751 4.405 240 H VAL 32 H VAL 32 0.794 -7.331 0.798 241 HA VAL 32 HA VAL 32 -1.445 -8.248 -0.778 242 HB VAL 32 HB VAL 32 0.782 -6.309 -1.483 243 HG11 VAL 32 HG11 VAL 32 -0.787 -5.580 -3.315 244 HG12 VAL 32 HG12 VAL 32 -0.110 -7.179 -3.591 245 HG13 VAL 32 HG13 VAL 32 -1.780 -7.005 -2.997 246 HG21 VAL 32 HG21 VAL 32 -0.947 -4.617 -1.088 247 HG22 VAL 32 HG22 VAL 32 -2.155 -5.874 -0.745 248 HG23 VAL 32 HG23 VAL 32 -0.790 -5.614 0.354 249 H CYS 33 H CYS 33 2.129 -8.690 -1.339 250 HA CYS 33 HA CYS 33 1.862 -10.235 -3.701 251 HB2 CYS 33 HB2 CYS 33 3.940 -10.277 -1.474 252 HB3 CYS 33 HB3 CYS 33 4.106 -11.187 -2.989 253 HG CYS 33 HG CYS 33 4.015 -9.240 -4.623 254 H ALA 34 H ALA 34 1.790 -11.361 -0.282 255 HA ALA 34 HA ALA 34 1.456 -14.138 -0.890 256 HB1 ALA 34 HB1 ALA 34 0.625 -12.522 1.564 257 HB2 ALA 34 HB2 ALA 34 0.767 -14.290 1.476 258 HB3 ALA 34 HB3 ALA 34 2.212 -13.279 1.294 259 H MET 35 H MET 35 -0.976 -11.545 -0.327 260 HA MET 35 HA MET 35 -3.268 -13.271 -0.482 261 HB2 MET 35 HB2 MET 35 -3.180 -11.062 0.647 262 HB3 MET 35 HB3 MET 35 -3.048 -10.267 -0.928 263 HG2 MET 35 HG2 MET 35 -5.281 -11.206 -1.548 264 HG3 MET 35 HG3 MET 35 -5.369 -11.980 0.039 265 HE1 MET 35 HE1 MET 35 -8.062 -9.285 0.596 266 HE2 MET 35 HE2 MET 35 -7.786 -10.339 -0.808 267 HE3 MET 35 HE3 MET 35 -7.585 -10.980 0.839 268 H LYS 36 H LYS 36 -1.667 -11.224 -2.954 269 HA LYS 36 HA LYS 36 -3.457 -11.994 -5.148 270 HB2 LYS 36 HB2 LYS 36 -0.662 -10.771 -5.139 271 HB3 LYS 36 HB3 LYS 36 -1.676 -10.953 -6.562 272 HG2 LYS 36 HG2 LYS 36 -2.279 -9.173 -4.165 273 HG3 LYS 36 HG3 LYS 36 -1.691 -8.676 -5.738 274 HD2 LYS 36 HD2 LYS 36 -3.892 -8.178 -6.016 275 HD3 LYS 36 HD3 LYS 36 -3.890 -9.813 -6.648 276 HE2 LYS 36 HE2 LYS 36 -5.811 -9.649 -5.264 277 HE3 LYS 36 HE3 LYS 36 -4.659 -10.613 -4.344 278 HZ1 LYS 36 HZ1 LYS 36 -4.120 -8.610 -3.051 279 HZ2 LYS 36 HZ2 LYS 36 -5.727 -8.893 -2.982 280 HZ3 LYS 36 HZ3 LYS 36 -5.155 -7.706 -3.935 281 H LYS 37 H LYS 37 -0.542 -13.354 -3.790 282 HA LYS 37 HA LYS 37 0.619 -15.257 -4.125 283 HB2 LYS 37 HB2 LYS 37 -1.461 -16.210 -6.099 284 HB3 LYS 37 HB3 LYS 37 -0.275 -17.183 -5.267 285 HG2 LYS 37 HG2 LYS 37 -1.359 -17.099 -3.217 286 HG3 LYS 37 HG3 LYS 37 -2.305 -15.667 -3.587 287 HD2 LYS 37 HD2 LYS 37 -2.783 -18.228 -5.147 288 HD3 LYS 37 HD3 LYS 37 -3.452 -17.988 -3.537 289 HE2 LYS 37 HE2 LYS 37 -5.163 -17.336 -5.006 290 HE3 LYS 37 HE3 LYS 37 -4.532 -15.862 -4.276 291 HZ1 LYS 37 HZ1 LYS 37 -3.826 -16.828 -7.002 292 HZ2 LYS 37 HZ2 LYS 37 -3.351 -15.394 -6.343 293 HZ3 LYS 37 HZ3 LYS 37 -4.919 -15.664 -6.685 294 H LEU 38 H LEU 38 1.222 -12.917 -5.520 295 HA LEU 38 HA LEU 38 2.653 -13.934 -7.923 296 HB2 LEU 38 HB2 LEU 38 0.794 -11.544 -7.741 297 HB3 LEU 38 HB3 LEU 38 2.220 -11.444 -8.743 298 HG LEU 38 HG LEU 38 1.383 -13.761 -9.745 299 HD11 LEU 38 HD11 LEU 38 -1.215 -12.472 -8.794 300 HD12 LEU 38 HD12 LEU 38 -0.586 -14.062 -8.307 301 HD13 LEU 38 HD13 LEU 38 -1.084 -13.795 -9.975 302 HD21 LEU 38 HD21 LEU 38 0.172 -11.060 -10.430 303 HD22 LEU 38 HD22 LEU 38 0.196 -12.490 -11.492 304 HD23 LEU 38 HD23 LEU 38 1.718 -11.730 -11.014 305 HA PRO 39 HA PRO 39 6.205 -12.164 -6.146 306 HB2 PRO 39 HB2 PRO 39 7.783 -11.505 -8.299 307 HB3 PRO 39 HB3 PRO 39 7.375 -13.190 -7.860 308 HG2 PRO 39 HG2 PRO 39 5.997 -11.410 -9.896 309 HG3 PRO 39 HG3 PRO 39 6.606 -13.081 -10.129 310 HD2 PRO 39 HD2 PRO 39 4.008 -12.601 -9.556 311 HD3 PRO 39 HD3 PRO 39 4.855 -13.998 -8.827 312 HA PRO 40 HA PRO 40 5.924 -7.792 -5.668 313 HB2 PRO 40 HB2 PRO 40 8.512 -7.000 -5.130 314 HB3 PRO 40 HB3 PRO 40 7.498 -7.947 -3.999 315 HG2 PRO 40 HG2 PRO 40 9.558 -8.986 -5.977 316 HG3 PRO 40 HG3 PRO 40 9.416 -9.363 -4.227 317 HD2 PRO 40 HD2 PRO 40 8.382 -11.025 -6.067 318 HD3 PRO 40 HD3 PRO 40 7.458 -10.666 -4.575 319 H ASP 41 H ASP 41 7.871 -8.958 -8.329 320 HA ASP 41 HA ASP 41 8.422 -6.394 -9.552 321 HB2 ASP 41 HB2 ASP 41 9.580 -8.606 -9.993 322 HB3 ASP 41 HB3 ASP 41 8.130 -9.130 -10.859 323 H THR 42 H THR 42 5.549 -8.436 -9.449 324 HA THR 42 HA THR 42 4.301 -7.121 -11.771 325 HB THR 42 HB THR 42 3.113 -9.310 -10.046 326 HG1 THR 42 HG1 THR 42 4.725 -9.543 -12.376 327 HG21 THR 42 HG21 THR 42 2.126 -9.944 -12.358 328 HG22 THR 42 HG22 THR 42 2.604 -8.329 -12.887 329 HG23 THR 42 HG23 THR 42 1.433 -8.533 -11.568 330 H THR 43 H THR 43 4.584 -6.153 -8.651 331 HA THR 43 HA THR 43 2.019 -4.660 -8.726 332 HB THR 43 HB THR 43 1.510 -6.527 -7.333 333 HG1 THR 43 HG1 THR 43 1.999 -4.385 -5.568 334 HG21 THR 43 HG21 THR 43 3.698 -7.240 -6.516 335 HG22 THR 43 HG22 THR 43 2.605 -6.924 -5.164 336 HG23 THR 43 HG23 THR 43 3.873 -5.746 -5.568 337 H ARG 44 H ARG 44 2.051 -2.627 -7.977 338 HA ARG 44 HA ARG 44 4.611 -1.479 -6.902 339 HB2 ARG 44 HB2 ARG 44 2.960 -0.464 -9.255 340 HB3 ARG 44 HB3 ARG 44 4.261 0.445 -8.478 341 HG2 ARG 44 HG2 ARG 44 5.907 -1.275 -9.131 342 HG3 ARG 44 HG3 ARG 44 4.622 -2.274 -9.819 343 HD2 ARG 44 HD2 ARG 44 5.726 -1.176 -11.618 344 HD3 ARG 44 HD3 ARG 44 4.091 -0.512 -11.464 345 HE ARG 44 HE ARG 44 5.942 1.111 -9.982 346 HH11 ARG 44 HH11 ARG 44 5.137 0.440 -13.326 347 HH12 ARG 44 HH12 ARG 44 5.689 2.001 -13.869 348 HH21 ARG 44 HH21 ARG 44 6.614 3.089 -10.737 349 HH22 ARG 44 HH22 ARG 44 6.506 3.458 -12.433 350 H LEU 45 H LEU 45 4.399 0.229 -5.514 351 HA LEU 45 HA LEU 45 1.651 0.966 -4.586 352 HB2 LEU 45 HB2 LEU 45 2.433 -0.861 -3.210 353 HB3 LEU 45 HB3 LEU 45 4.011 -0.107 -3.014 354 HG LEU 45 HG LEU 45 3.012 1.706 -1.655 355 HD11 LEU 45 HD11 LEU 45 0.438 0.078 -1.865 356 HD12 LEU 45 HD12 LEU 45 0.693 1.722 -2.500 357 HD13 LEU 45 HD13 LEU 45 0.727 1.435 -0.755 358 HD21 LEU 45 HD21 LEU 45 2.350 -1.106 -0.700 359 HD22 LEU 45 HD22 LEU 45 2.571 0.322 0.327 360 HD23 LEU 45 HD23 LEU 45 3.936 -0.312 -0.597 361 H THR 46 H THR 46 1.356 3.089 -4.289 362 HA THR 46 HA THR 46 3.680 4.881 -3.750 363 HB THR 46 HB THR 46 2.852 6.514 -5.389 364 HG1 THR 46 HG1 THR 46 0.718 5.827 -5.618 365 HG21 THR 46 HG21 THR 46 4.662 4.940 -6.042 366 HG22 THR 46 HG22 THR 46 3.666 5.472 -7.408 367 HG23 THR 46 HG23 THR 46 3.436 3.848 -6.732 368 H TYR 47 H TYR 47 3.255 6.867 -2.866 369 HA TYR 47 HA TYR 47 0.529 7.567 -1.955 370 HB2 TYR 47 HB2 TYR 47 1.330 6.318 -0.060 371 HB3 TYR 47 HB3 TYR 47 2.923 7.055 -0.170 372 HD1 TYR 47 HD1 TYR 47 -0.610 8.379 0.014 373 HD2 TYR 47 HD2 TYR 47 3.406 8.529 1.577 374 HE1 TYR 47 HE1 TYR 47 -1.232 10.331 1.427 375 HE2 TYR 47 HE2 TYR 47 2.768 10.446 3.027 376 HH TYR 47 HH TYR 47 1.043 11.831 3.721 377 H LYS 48 H LYS 48 0.211 9.773 -1.894 378 HA LYS 48 HA LYS 48 0.514 11.962 -2.477 379 HB2 LYS 48 HB2 LYS 48 1.781 11.523 -0.192 380 HB3 LYS 48 HB3 LYS 48 3.221 11.823 -1.135 381 HG2 LYS 48 HG2 LYS 48 2.894 13.962 -0.503 382 HG3 LYS 48 HG3 LYS 48 1.758 14.031 -1.846 383 HD2 LYS 48 HD2 LYS 48 1.105 13.509 1.087 384 HD3 LYS 48 HD3 LYS 48 0.819 15.007 0.196 385 HE2 LYS 48 HE2 LYS 48 -0.776 13.823 -1.296 386 HE3 LYS 48 HE3 LYS 48 -0.502 12.321 -0.395 387 HZ1 LYS 48 HZ1 LYS 48 -1.374 13.428 1.591 388 HZ2 LYS 48 HZ2 LYS 48 -2.490 13.481 0.392 389 HZ3 LYS 48 HZ3 LYS 48 -1.629 14.814 0.762 390 H GLY 49 H GLY 49 1.322 10.170 -4.542 391 HA2 GLY 49 HA2 GLY 49 2.210 10.291 -6.671 392 HA3 GLY 49 HA3 GLY 49 2.771 11.927 -6.334 393 H ARG 50 H ARG 50 3.856 9.442 -4.147 394 HA ARG 50 HA ARG 50 6.576 9.366 -5.379 395 HB2 ARG 50 HB2 ARG 50 5.843 11.048 -3.366 396 HB3 ARG 50 HB3 ARG 50 6.243 9.649 -2.391 397 HG2 ARG 50 HG2 ARG 50 8.120 10.916 -4.448 398 HG3 ARG 50 HG3 ARG 50 8.036 11.416 -2.757 399 HD2 ARG 50 HD2 ARG 50 8.671 9.153 -2.018 400 HD3 ARG 50 HD3 ARG 50 8.785 8.639 -3.715 401 HE ARG 50 HE ARG 50 10.444 10.911 -3.363 402 HH11 ARG 50 HH11 ARG 50 10.372 7.526 -2.439 403 HH12 ARG 50 HH12 ARG 50 12.118 7.413 -2.401 404 HH21 ARG 50 HH21 ARG 50 12.657 10.687 -3.327 405 HH22 ARG 50 HH22 ARG 50 13.373 9.160 -2.899 406 H ALA 51 H ALA 51 7.750 7.498 -5.103 407 HA ALA 51 HA ALA 51 6.449 5.066 -4.124 408 HB1 ALA 51 HB1 ALA 51 9.290 5.601 -5.092 409 HB2 ALA 51 HB2 ALA 51 8.570 4.006 -4.791 410 HB3 ALA 51 HB3 ALA 51 7.933 5.031 -6.092 411 H LEU 52 H LEU 52 6.729 4.080 -2.187 412 HA LEU 52 HA LEU 52 8.584 5.280 -0.161 413 HB2 LEU 52 HB2 LEU 52 6.212 3.441 0.295 414 HB3 LEU 52 HB3 LEU 52 7.221 4.204 1.522 415 HG LEU 52 HG LEU 52 5.299 5.634 -0.367 416 HD11 LEU 52 HD11 LEU 52 5.213 5.107 2.636 417 HD12 LEU 52 HD12 LEU 52 4.210 4.308 1.405 418 HD13 LEU 52 HD13 LEU 52 4.022 6.041 1.709 419 HD21 LEU 52 HD21 LEU 52 7.196 7.116 0.177 420 HD22 LEU 52 HD22 LEU 52 7.004 6.748 1.908 421 HD23 LEU 52 HD23 LEU 52 5.739 7.632 1.026 422 H LYS 53 H LYS 53 10.220 4.088 0.642 423 HA LYS 53 HA LYS 53 10.146 1.200 0.781 424 HB2 LYS 53 HB2 LYS 53 11.157 2.021 -1.631 425 HB3 LYS 53 HB3 LYS 53 12.611 2.148 -0.661 426 HG2 LYS 53 HG2 LYS 53 12.852 -0.047 -1.264 427 HG3 LYS 53 HG3 LYS 53 11.856 -0.317 0.153 428 HD2 LYS 53 HD2 LYS 53 10.879 -1.650 -1.561 429 HD3 LYS 53 HD3 LYS 53 9.810 -0.263 -1.377 430 HE2 LYS 53 HE2 LYS 53 10.067 -0.662 -3.728 431 HE3 LYS 53 HE3 LYS 53 10.938 0.825 -3.352 432 HZ1 LYS 53 HZ1 LYS 53 12.248 -0.636 -4.787 433 HZ2 LYS 53 HZ2 LYS 53 12.191 -1.853 -3.703 434 HZ3 LYS 53 HZ3 LYS 53 13.012 -0.486 -3.355 435 H ASP 54 H ASP 54 11.696 0.359 2.202 436 HA ASP 54 HA ASP 54 12.943 0.309 4.074 437 HB2 ASP 54 HB2 ASP 54 14.541 0.672 2.144 438 HB3 ASP 54 HB3 ASP 54 14.678 2.352 2.658 439 H THR 55 H THR 55 10.797 2.280 4.250 440 HA THR 55 HA THR 55 11.723 4.566 5.791 441 HB THR 55 HB THR 55 9.386 5.017 6.225 442 HG1 THR 55 HG1 THR 55 8.700 2.657 4.833 443 HG21 THR 55 HG21 THR 55 8.528 5.298 3.989 444 HG22 THR 55 HG22 THR 55 9.629 4.068 3.335 445 HG23 THR 55 HG23 THR 55 10.272 5.599 3.959 446 H GLU 56 H GLU 56 10.882 1.333 6.610 447 HA GLU 56 HA GLU 56 10.592 0.091 8.421 448 HB2 GLU 56 HB2 GLU 56 12.824 0.986 9.000 449 HB3 GLU 56 HB3 GLU 56 12.040 2.182 10.053 450 HG2 GLU 56 HG2 GLU 56 11.021 0.352 11.373 451 HG3 GLU 56 HG3 GLU 56 11.723 -0.840 10.277 452 H THR 57 H THR 57 9.874 3.432 9.539 453 HA THR 57 HA THR 57 7.095 2.640 10.158 454 HB THR 57 HB THR 57 7.308 3.918 12.388 455 HG1 THR 57 HG1 THR 57 9.443 4.626 12.246 456 HG21 THR 57 HG21 THR 57 8.654 1.201 12.300 457 HG22 THR 57 HG22 THR 57 6.901 1.451 12.178 458 HG23 THR 57 HG23 THR 57 7.768 1.938 13.649 459 H LEU 58 H LEU 58 5.668 4.188 9.700 460 HA LEU 58 HA LEU 58 6.488 6.518 8.259 461 HB2 LEU 58 HB2 LEU 58 3.803 5.762 9.489 462 HB3 LEU 58 HB3 LEU 58 4.039 7.075 8.338 463 HG LEU 58 HG LEU 58 4.575 4.130 7.726 464 HD11 LEU 58 HD11 LEU 58 2.244 5.924 6.930 465 HD12 LEU 58 HD12 LEU 58 2.183 4.584 8.098 466 HD13 LEU 58 HD13 LEU 58 2.516 4.251 6.392 467 HD21 LEU 58 HD21 LEU 58 4.492 6.585 5.914 468 HD22 LEU 58 HD22 LEU 58 4.606 4.900 5.362 469 HD23 LEU 58 HD23 LEU 58 5.927 5.604 6.297 470 H GLU 59 H GLU 59 5.564 6.123 11.660 471 HA GLU 59 HA GLU 59 5.201 8.858 12.309 472 HB2 GLU 59 HB2 GLU 59 4.462 6.945 13.618 473 HB3 GLU 59 HB3 GLU 59 6.108 6.528 14.048 474 HG2 GLU 59 HG2 GLU 59 4.872 9.244 14.701 475 HG3 GLU 59 HG3 GLU 59 4.571 7.838 15.707 476 H SER 60 H SER 60 8.217 7.089 11.876 477 HA SER 60 HA SER 60 9.965 9.024 13.118 478 HB2 SER 60 HB2 SER 60 10.564 7.039 10.890 479 HB3 SER 60 HB3 SER 60 11.744 7.826 11.952 480 HG SER 60 HG SER 60 10.874 6.707 13.708 481 H LEU 61 H LEU 61 8.456 8.846 9.940 482 HA LEU 61 HA LEU 61 10.204 11.011 8.855 483 HB2 LEU 61 HB2 LEU 61 8.175 9.231 7.457 484 HB3 LEU 61 HB3 LEU 61 9.256 10.392 6.691 485 HG LEU 61 HG LEU 61 10.086 7.830 8.127 486 HD11 LEU 61 HD11 LEU 61 9.070 7.503 5.905 487 HD12 LEU 61 HD12 LEU 61 10.804 7.127 5.889 488 HD13 LEU 61 HD13 LEU 61 10.223 8.657 5.198 489 HD21 LEU 61 HD21 LEU 61 11.852 9.507 8.458 490 HD22 LEU 61 HD22 LEU 61 11.815 9.921 6.727 491 HD23 LEU 61 HD23 LEU 61 12.368 8.317 7.262 492 H GLY 62 H GLY 62 6.839 10.346 9.703 493 HA2 GLY 62 HA2 GLY 62 5.824 12.590 10.595 494 HA3 GLY 62 HA3 GLY 62 5.985 13.100 8.913 495 H VAL 63 H VAL 63 4.422 10.766 11.064 496 HA VAL 63 HA VAL 63 2.579 9.711 9.079 497 HB VAL 63 HB VAL 63 3.303 8.426 11.041 498 HG11 VAL 63 HG11 VAL 63 3.240 10.227 12.779 499 HG12 VAL 63 HG12 VAL 63 1.468 10.207 12.698 500 HG13 VAL 63 HG13 VAL 63 2.350 8.772 13.250 501 HG21 VAL 63 HG21 VAL 63 1.221 7.839 9.835 502 HG22 VAL 63 HG22 VAL 63 1.205 7.370 11.541 503 HG23 VAL 63 HG23 VAL 63 0.289 8.792 11.017 504 H ALA 64 H ALA 64 0.366 10.122 8.829 505 HA ALA 64 HA ALA 64 -0.907 12.388 10.208 506 HB1 ALA 64 HB1 ALA 64 0.291 13.458 8.346 507 HB2 ALA 64 HB2 ALA 64 -0.457 12.334 7.194 508 HB3 ALA 64 HB3 ALA 64 -1.457 13.512 8.070 509 H ASP 65 H ASP 65 -3.219 12.638 9.408 510 HA ASP 65 HA ASP 65 -4.474 9.930 9.273 511 HB2 ASP 65 HB2 ASP 65 -5.473 12.530 10.487 512 HB3 ASP 65 HB3 ASP 65 -6.385 11.025 10.411 513 H GLY 66 H GLY 66 -6.207 9.479 7.974 514 HA2 GLY 66 HA2 GLY 66 -7.717 9.696 6.255 515 HA3 GLY 66 HA3 GLY 66 -7.482 11.446 6.246 516 H ASP 67 H ASP 67 -4.558 9.647 5.950 517 HA ASP 67 HA ASP 67 -4.015 10.464 3.235 518 HB2 ASP 67 HB2 ASP 67 -2.646 8.347 4.920 519 HB3 ASP 67 HB3 ASP 67 -2.026 9.027 3.431 520 H LYS 68 H LYS 68 -3.532 8.992 1.423 521 HA LYS 68 HA LYS 68 -4.975 6.435 1.473 522 HB2 LYS 68 HB2 LYS 68 -6.256 6.862 -0.535 523 HB3 LYS 68 HB3 LYS 68 -6.660 7.962 0.771 524 HG2 LYS 68 HG2 LYS 68 -6.622 9.517 -0.815 525 HG3 LYS 68 HG3 LYS 68 -4.883 9.547 -0.528 526 HD2 LYS 68 HD2 LYS 68 -4.568 7.944 -2.428 527 HD3 LYS 68 HD3 LYS 68 -6.308 7.929 -2.704 528 HE2 LYS 68 HE2 LYS 68 -4.531 10.408 -2.848 529 HE3 LYS 68 HE3 LYS 68 -5.005 9.434 -4.242 530 HZ1 LYS 68 HZ1 LYS 68 -6.468 11.338 -4.003 531 HZ2 LYS 68 HZ2 LYS 68 -6.895 10.913 -2.489 532 HZ3 LYS 68 HZ3 LYS 68 -7.335 9.978 -3.754 533 H PHE 69 H PHE 69 -4.114 4.828 0.464 534 HA PHE 69 HA PHE 69 -1.589 5.267 -1.077 535 HB2 PHE 69 HB2 PHE 69 -2.662 2.739 0.203 536 HB3 PHE 69 HB3 PHE 69 -1.075 2.968 -0.509 537 HD1 PHE 69 HD1 PHE 69 -0.722 5.859 0.928 538 HD2 PHE 69 HD2 PHE 69 -1.710 1.871 2.254 539 HE1 PHE 69 HE1 PHE 69 0.205 6.371 3.159 540 HE2 PHE 69 HE2 PHE 69 -0.775 2.393 4.492 541 HZ PHE 69 HZ PHE 69 0.183 4.643 4.950 542 H VAL 70 H VAL 70 -1.318 4.528 -3.129 543 HA VAL 70 HA VAL 70 -3.654 3.194 -4.474 544 HB VAL 70 HB VAL 70 -1.590 5.055 -5.697 545 HG11 VAL 70 HG11 VAL 70 -3.994 3.636 -6.934 546 HG12 VAL 70 HG12 VAL 70 -3.025 4.899 -7.729 547 HG13 VAL 70 HG13 VAL 70 -2.279 3.351 -7.323 548 HG21 VAL 70 HG21 VAL 70 -3.523 6.557 -6.089 549 HG22 VAL 70 HG22 VAL 70 -4.573 5.451 -5.181 550 HG23 VAL 70 HG23 VAL 70 -3.246 6.306 -4.367 551 H LEU 71 H LEU 71 -3.322 1.292 -5.479 552 HA LEU 71 HA LEU 71 -0.531 0.289 -5.705 553 HB2 LEU 71 HB2 LEU 71 -1.436 -0.488 -3.618 554 HB3 LEU 71 HB3 LEU 71 -2.834 -1.198 -4.404 555 HG LEU 71 HG LEU 71 -0.159 -2.088 -5.454 556 HD11 LEU 71 HD11 LEU 71 -1.171 -2.963 -2.730 557 HD12 LEU 71 HD12 LEU 71 0.265 -1.960 -3.026 558 HD13 LEU 71 HD13 LEU 71 0.240 -3.619 -3.611 559 HD21 LEU 71 HD21 LEU 71 -1.256 -4.283 -5.465 560 HD22 LEU 71 HD22 LEU 71 -2.291 -3.094 -6.266 561 HD23 LEU 71 HD23 LEU 71 -2.662 -3.614 -4.607 562 H ILE 72 H ILE 72 -0.027 -0.541 -7.551 563 HA ILE 72 HA ILE 72 -2.139 -0.926 -9.635 564 HB ILE 72 HB ILE 72 0.733 0.010 -9.910 565 HG12 ILE 72 HG12 ILE 72 -0.532 1.775 -8.845 566 HG13 ILE 72 HG13 ILE 72 -0.139 2.209 -10.494 567 HG21 ILE 72 HG21 ILE 72 0.102 -1.139 -11.933 568 HG22 ILE 72 HG22 ILE 72 -1.454 -0.284 -12.006 569 HG23 ILE 72 HG23 ILE 72 0.070 0.594 -12.252 570 HD11 ILE 72 HD11 ILE 72 -2.477 1.677 -11.197 571 HD12 ILE 72 HD12 ILE 72 -2.872 1.272 -9.508 572 HD13 ILE 72 HD13 ILE 72 -2.401 2.922 -9.944 573 H THR 73 H THR 73 -2.168 -2.741 -10.837 574 HA THR 73 HA THR 73 -0.115 -4.854 -10.350 575 HB THR 73 HB THR 73 -2.416 -5.492 -9.746 576 HG1 THR 73 HG1 THR 73 -1.077 -7.111 -10.400 577 HG21 THR 73 HG21 THR 73 -3.043 -5.261 -12.727 578 HG22 THR 73 HG22 THR 73 -3.707 -4.216 -11.451 579 HG23 THR 73 HG23 THR 73 -4.087 -5.943 -11.475 580 H ARG 74 H ARG 74 0.950 -5.815 -12.048 581 HA ARG 74 HA ARG 74 0.902 -4.375 -14.649 582 HB2 ARG 74 HB2 ARG 74 2.959 -5.526 -13.022 583 HB3 ARG 74 HB3 ARG 74 2.936 -6.454 -14.513 584 HG2 ARG 74 HG2 ARG 74 2.909 -3.410 -14.519 585 HG3 ARG 74 HG3 ARG 74 4.411 -4.304 -14.353 586 HD2 ARG 74 HD2 ARG 74 2.529 -4.940 -16.647 587 HD3 ARG 74 HD3 ARG 74 3.605 -3.542 -16.728 588 HE ARG 74 HE ARG 74 5.406 -5.378 -16.043 589 HH11 ARG 74 HH11 ARG 74 2.897 -5.896 -18.445 590 HH12 ARG 74 HH12 ARG 74 4.004 -6.658 -19.546 591 HH21 ARG 74 HH21 ARG 74 6.703 -6.490 -17.431 592 HH22 ARG 74 HH22 ARG 74 6.077 -7.056 -18.951 593 H THR 75 H THR 75 -0.386 -5.037 -16.172 594 HA THR 75 HA THR 75 -1.534 -7.698 -16.283 595 HB THR 75 HB THR 75 -2.720 -5.628 -17.020 596 HG1 THR 75 HG1 THR 75 -3.590 -7.493 -17.689 597 HG21 THR 75 HG21 THR 75 -0.887 -4.566 -18.362 598 HG22 THR 75 HG22 THR 75 -2.393 -4.772 -19.269 599 HG23 THR 75 HG23 THR 75 -1.036 -5.876 -19.557 600 H VAL 76 H VAL 76 -1.420 -9.139 -18.118 601 HA VAL 76 HA VAL 76 1.295 -9.315 -19.389 602 HB VAL 76 HB VAL 76 -0.282 -11.591 -18.140 603 HG11 VAL 76 HG11 VAL 76 0.953 -12.400 -20.105 604 HG12 VAL 76 HG12 VAL 76 2.434 -11.601 -19.528 605 HG13 VAL 76 HG13 VAL 76 1.730 -12.962 -18.627 606 HG21 VAL 76 HG21 VAL 76 0.805 -10.222 -16.411 607 HG22 VAL 76 HG22 VAL 76 1.651 -11.758 -16.586 608 HG23 VAL 76 HG23 VAL 76 2.343 -10.283 -17.299 609 H GLY 77 H GLY 77 -2.109 -10.456 -19.610 610 HA2 GLY 77 HA2 GLY 77 -2.512 -9.881 -22.341 611 HA3 GLY 77 HA3 GLY 77 -1.944 -11.550 -22.247 Start of MODEL 11 1 HA MET 1 HA MET 1 -3.729 5.488 12.239 2 HB2 MET 1 HB2 MET 1 -4.232 7.187 13.912 3 HB3 MET 1 HB3 MET 1 -5.678 7.686 13.035 4 HG2 MET 1 HG2 MET 1 -6.705 5.482 13.409 5 HG3 MET 1 HG3 MET 1 -5.226 4.902 14.194 6 HE1 MET 1 HE1 MET 1 -8.252 4.738 15.349 7 HE2 MET 1 HE2 MET 1 -6.818 4.017 16.116 8 HE3 MET 1 HE3 MET 1 -7.913 5.050 17.065 9 H LYS 2 H LYS 2 -6.664 7.290 11.064 10 HA LYS 2 HA LYS 2 -7.462 5.020 9.392 11 HB2 LYS 2 HB2 LYS 2 -8.440 7.877 9.646 12 HB3 LYS 2 HB3 LYS 2 -8.916 6.850 8.288 13 HG2 LYS 2 HG2 LYS 2 -9.662 5.097 9.965 14 HG3 LYS 2 HG3 LYS 2 -9.465 6.315 11.232 15 HD2 LYS 2 HD2 LYS 2 -11.242 6.532 8.755 16 HD3 LYS 2 HD3 LYS 2 -11.822 6.100 10.356 17 HE2 LYS 2 HE2 LYS 2 -10.473 8.762 9.695 18 HE3 LYS 2 HE3 LYS 2 -12.213 8.498 9.608 19 HZ1 LYS 2 HZ1 LYS 2 -11.595 9.438 11.744 20 HZ2 LYS 2 HZ2 LYS 2 -10.601 8.190 12.082 21 HZ3 LYS 2 HZ3 LYS 2 -12.215 7.948 11.969 22 H ILE 3 H ILE 3 -7.342 4.850 7.237 23 HA ILE 3 HA ILE 3 -5.570 6.569 5.607 24 HB ILE 3 HB ILE 3 -4.272 4.692 4.818 25 HG12 ILE 3 HG12 ILE 3 -5.501 2.896 6.948 26 HG13 ILE 3 HG13 ILE 3 -6.024 2.887 5.265 27 HG21 ILE 3 HG21 ILE 3 -4.084 4.698 7.853 28 HG22 ILE 3 HG22 ILE 3 -2.784 4.396 6.685 29 HG23 ILE 3 HG23 ILE 3 -3.497 6.005 6.814 30 HD11 ILE 3 HD11 ILE 3 -3.742 2.298 4.521 31 HD12 ILE 3 HD12 ILE 3 -3.223 2.207 6.219 32 HD13 ILE 3 HD13 ILE 3 -4.457 1.094 5.614 33 H LYS 4 H LYS 4 -5.679 5.939 3.289 34 HA LYS 4 HA LYS 4 -8.046 4.261 2.558 35 HB2 LYS 4 HB2 LYS 4 -7.422 7.045 1.628 36 HB3 LYS 4 HB3 LYS 4 -8.074 5.898 0.448 37 HG2 LYS 4 HG2 LYS 4 -10.014 5.450 1.853 38 HG3 LYS 4 HG3 LYS 4 -9.382 6.507 3.133 39 HD2 LYS 4 HD2 LYS 4 -9.544 8.459 1.673 40 HD3 LYS 4 HD3 LYS 4 -10.037 7.440 0.300 41 HE2 LYS 4 HE2 LYS 4 -12.080 6.766 1.488 42 HE3 LYS 4 HE3 LYS 4 -11.590 7.689 2.915 43 HZ1 LYS 4 HZ1 LYS 4 -11.752 9.719 1.594 44 HZ2 LYS 4 HZ2 LYS 4 -13.173 8.925 1.537 45 HZ3 LYS 4 HZ3 LYS 4 -12.169 8.883 0.253 46 H ILE 5 H ILE 5 -7.738 2.750 1.136 47 HA ILE 5 HA ILE 5 -5.171 2.660 -0.418 48 HB ILE 5 HB ILE 5 -6.668 0.338 0.839 49 HG12 ILE 5 HG12 ILE 5 -3.810 1.175 1.478 50 HG13 ILE 5 HG13 ILE 5 -5.173 1.814 2.391 51 HG21 ILE 5 HG21 ILE 5 -4.771 -1.050 -0.036 52 HG22 ILE 5 HG22 ILE 5 -5.688 -0.312 -1.331 53 HG23 ILE 5 HG23 ILE 5 -4.122 0.381 -0.857 54 HD11 ILE 5 HD11 ILE 5 -4.178 -0.092 3.540 55 HD12 ILE 5 HD12 ILE 5 -5.854 -0.431 3.074 56 HD13 ILE 5 HD13 ILE 5 -4.504 -1.145 2.163 57 H VAL 6 H VAL 6 -5.442 2.532 -2.581 58 HA VAL 6 HA VAL 6 -8.038 1.499 -3.660 59 HB VAL 6 HB VAL 6 -8.106 3.797 -3.991 60 HG11 VAL 6 HG11 VAL 6 -5.485 3.759 -5.506 61 HG12 VAL 6 HG12 VAL 6 -6.588 5.126 -5.306 62 HG13 VAL 6 HG13 VAL 6 -5.752 4.472 -3.897 63 HG21 VAL 6 HG21 VAL 6 -8.902 2.274 -5.810 64 HG22 VAL 6 HG22 VAL 6 -8.469 3.901 -6.361 65 HG23 VAL 6 HG23 VAL 6 -7.368 2.544 -6.657 66 HA PRO 7 HA PRO 7 -5.025 -1.232 -5.664 67 HB2 PRO 7 HB2 PRO 7 -6.339 -3.574 -5.437 68 HB3 PRO 7 HB3 PRO 7 -5.504 -2.834 -4.036 69 HG2 PRO 7 HG2 PRO 7 -8.459 -2.749 -4.709 70 HG3 PRO 7 HG3 PRO 7 -7.686 -3.061 -3.125 71 HD2 PRO 7 HD2 PRO 7 -8.649 -0.585 -3.973 72 HD3 PRO 7 HD3 PRO 7 -7.379 -0.792 -2.735 73 H ALA 8 H ALA 8 -5.011 -1.702 -7.824 74 HA ALA 8 HA ALA 8 -7.254 -1.122 -9.545 75 HB1 ALA 8 HB1 ALA 8 -5.651 -1.655 -11.323 76 HB2 ALA 8 HB2 ALA 8 -4.886 -0.637 -10.090 77 HB3 ALA 8 HB3 ALA 8 -4.544 -2.383 -10.137 78 H VAL 9 H VAL 9 -8.036 -3.183 -7.754 79 HA VAL 9 HA VAL 9 -8.327 -5.634 -9.445 80 HB VAL 9 HB VAL 9 -7.544 -5.594 -6.504 81 HG11 VAL 9 HG11 VAL 9 -7.192 -8.040 -6.820 82 HG12 VAL 9 HG12 VAL 9 -8.878 -7.585 -7.013 83 HG13 VAL 9 HG13 VAL 9 -7.880 -7.918 -8.452 84 HG21 VAL 9 HG21 VAL 9 -5.600 -4.960 -7.855 85 HG22 VAL 9 HG22 VAL 9 -5.402 -6.604 -7.259 86 HG23 VAL 9 HG23 VAL 9 -5.885 -6.332 -8.949 87 H GLY 10 H GLY 10 -10.242 -6.773 -9.191 88 HA2 GLY 10 HA2 GLY 10 -12.433 -7.209 -8.616 89 HA3 GLY 10 HA3 GLY 10 -12.066 -6.542 -7.026 90 H GLY 11 H GLY 11 -13.206 -4.783 -6.458 91 HA2 GLY 11 HA2 GLY 11 -15.012 -3.362 -8.198 92 HA3 GLY 11 HA3 GLY 11 -14.568 -2.932 -6.543 93 H GLY 12 H GLY 12 -11.600 -2.865 -7.509 94 HA2 GLY 12 HA2 GLY 12 -10.086 -1.393 -8.387 95 HA3 GLY 12 HA3 GLY 12 -11.324 -0.865 -9.521 96 H SER 13 H SER 13 -12.176 -0.438 -6.211 97 HA SER 13 HA SER 13 -12.004 2.507 -6.542 98 HB2 SER 13 HB2 SER 13 -14.036 2.519 -5.110 99 HB3 SER 13 HB3 SER 13 -14.233 1.592 -6.601 100 HG SER 13 HG SER 13 -13.905 0.630 -3.945 101 HA PRO 14 HA PRO 14 -9.720 2.983 -2.717 102 HB2 PRO 14 HB2 PRO 14 -10.769 5.293 -1.653 103 HB3 PRO 14 HB3 PRO 14 -9.661 5.266 -3.056 104 HG2 PRO 14 HG2 PRO 14 -12.692 5.391 -3.084 105 HG3 PRO 14 HG3 PRO 14 -11.531 6.412 -3.995 106 HD2 PRO 14 HD2 PRO 14 -12.722 4.284 -5.152 107 HD3 PRO 14 HD3 PRO 14 -11.004 4.643 -5.482 108 H LEU 15 H LEU 15 -9.857 2.353 -0.643 109 HA LEU 15 HA LEU 15 -12.514 2.017 0.668 110 HB2 LEU 15 HB2 LEU 15 -10.946 -0.048 -0.430 111 HB3 LEU 15 HB3 LEU 15 -10.530 -0.095 1.273 112 HG LEU 15 HG LEU 15 -13.365 -0.198 0.134 113 HD11 LEU 15 HD11 LEU 15 -12.033 -2.200 -0.422 114 HD12 LEU 15 HD12 LEU 15 -13.302 -2.579 0.753 115 HD13 LEU 15 HD13 LEU 15 -11.615 -2.410 1.293 116 HD21 LEU 15 HD21 LEU 15 -12.341 -0.635 2.977 117 HD22 LEU 15 HD22 LEU 15 -13.992 -0.981 2.419 118 HD23 LEU 15 HD23 LEU 15 -13.404 0.680 2.426 119 H GLU 16 H GLU 16 -12.597 2.756 2.674 120 HA GLU 16 HA GLU 16 -10.308 3.952 4.025 121 HB2 GLU 16 HB2 GLU 16 -12.541 4.951 4.107 122 HB3 GLU 16 HB3 GLU 16 -13.193 3.494 4.864 123 HG2 GLU 16 HG2 GLU 16 -11.729 3.884 6.852 124 HG3 GLU 16 HG3 GLU 16 -11.105 5.350 6.084 125 H LEU 17 H LEU 17 -9.096 3.140 5.627 126 HA LEU 17 HA LEU 17 -9.928 0.788 7.208 127 HB2 LEU 17 HB2 LEU 17 -7.650 0.825 5.230 128 HB3 LEU 17 HB3 LEU 17 -7.258 0.231 6.819 129 HG LEU 17 HG LEU 17 -9.622 -1.154 6.329 130 HD11 LEU 17 HD11 LEU 17 -9.621 -0.391 3.947 131 HD12 LEU 17 HD12 LEU 17 -9.422 -2.143 4.114 132 HD13 LEU 17 HD13 LEU 17 -8.018 -1.122 3.736 133 HD21 LEU 17 HD21 LEU 17 -7.556 -2.056 7.297 134 HD22 LEU 17 HD22 LEU 17 -6.773 -2.016 5.702 135 HD23 LEU 17 HD23 LEU 17 -8.161 -3.091 5.995 136 H GLU 18 H GLU 18 -8.417 0.450 9.053 137 HA GLU 18 HA GLU 18 -6.867 2.860 9.827 138 HB2 GLU 18 HB2 GLU 18 -7.420 2.541 12.161 139 HB3 GLU 18 HB3 GLU 18 -8.832 2.965 11.214 140 HG2 GLU 18 HG2 GLU 18 -8.171 0.098 12.052 141 HG3 GLU 18 HG3 GLU 18 -9.124 1.198 13.029 142 H VAL 19 H VAL 19 -4.910 2.520 10.785 143 HA VAL 19 HA VAL 19 -3.917 -0.262 11.143 144 HB VAL 19 HB VAL 19 -1.900 0.185 9.836 145 HG11 VAL 19 HG11 VAL 19 -2.809 -0.104 7.618 146 HG12 VAL 19 HG12 VAL 19 -3.796 -1.000 8.784 147 HG13 VAL 19 HG13 VAL 19 -4.383 0.542 8.123 148 HG21 VAL 19 HG21 VAL 19 -1.761 2.039 8.240 149 HG22 VAL 19 HG22 VAL 19 -3.278 2.718 8.868 150 HG23 VAL 19 HG23 VAL 19 -1.829 2.649 9.895 151 H ALA 20 H ALA 20 -1.890 -0.430 12.235 152 HA ALA 20 HA ALA 20 -1.592 1.343 14.468 153 HB1 ALA 20 HB1 ALA 20 0.333 -0.139 14.998 154 HB2 ALA 20 HB2 ALA 20 -1.105 -1.073 14.556 155 HB3 ALA 20 HB3 ALA 20 0.216 -0.867 13.383 156 HA PRO 21 HA PRO 21 1.175 4.402 12.769 157 HB2 PRO 21 HB2 PRO 21 2.582 5.235 14.961 158 HB3 PRO 21 HB3 PRO 21 0.833 5.537 14.763 159 HG2 PRO 21 HG2 PRO 21 2.144 3.268 16.298 160 HG3 PRO 21 HG3 PRO 21 0.893 4.419 16.880 161 HD2 PRO 21 HD2 PRO 21 0.202 1.988 15.934 162 HD3 PRO 21 HD3 PRO 21 -0.781 3.425 15.522 163 H ASN 22 H ASN 22 2.483 1.540 14.245 164 HA ASN 22 HA ASN 22 5.231 1.912 13.297 165 HB2 ASN 22 HB2 ASN 22 3.783 -0.489 14.490 166 HB3 ASN 22 HB3 ASN 22 5.509 -0.412 14.158 167 HD21 ASN 22 HD21 ASN 22 3.425 -0.223 16.677 168 HD22 ASN 22 HD22 ASN 22 4.340 0.878 17.695 169 H ALA 23 H ALA 23 2.366 1.088 11.627 170 HA ALA 23 HA ALA 23 3.244 -1.044 9.970 171 HB1 ALA 23 HB1 ALA 23 0.898 -0.320 10.137 172 HB2 ALA 23 HB2 ALA 23 1.306 1.222 9.352 173 HB3 ALA 23 HB3 ALA 23 1.450 -0.302 8.454 174 H THR 24 H THR 24 4.299 -1.136 8.014 175 HA THR 24 HA THR 24 5.614 1.336 6.992 176 HB THR 24 HB THR 24 7.160 0.103 8.500 177 HG1 THR 24 HG1 THR 24 8.112 1.328 7.041 178 HG21 THR 24 HG21 THR 24 6.532 -2.252 7.925 179 HG22 THR 24 HG22 THR 24 8.261 -1.914 7.750 180 HG23 THR 24 HG23 THR 24 7.240 -2.012 6.307 181 H VAL 25 H VAL 25 6.107 1.398 4.808 182 HA VAL 25 HA VAL 25 4.014 0.298 3.245 183 HB VAL 25 HB VAL 25 6.576 1.593 2.227 184 HG11 VAL 25 HG11 VAL 25 5.245 0.537 0.424 185 HG12 VAL 25 HG12 VAL 25 3.784 1.371 1.012 186 HG13 VAL 25 HG13 VAL 25 5.132 2.290 0.324 187 HG21 VAL 25 HG21 VAL 25 5.531 3.094 3.855 188 HG22 VAL 25 HG22 VAL 25 5.182 3.696 2.239 189 HG23 VAL 25 HG23 VAL 25 3.930 2.813 3.141 190 H GLY 26 H GLY 26 7.387 -0.795 3.588 191 HA2 GLY 26 HA2 GLY 26 7.409 -2.775 1.532 192 HA3 GLY 26 HA3 GLY 26 8.384 -2.788 3.006 193 H ALA 27 H ALA 27 6.116 -2.941 4.883 194 HA ALA 27 HA ALA 27 5.646 -5.812 4.810 195 HB1 ALA 27 HB1 ALA 27 4.439 -5.406 6.909 196 HB2 ALA 27 HB2 ALA 27 6.014 -4.594 6.922 197 HB3 ALA 27 HB3 ALA 27 4.526 -3.653 6.653 198 H VAL 28 H VAL 28 3.596 -2.908 4.270 199 HA VAL 28 HA VAL 28 1.149 -4.327 3.739 200 HB VAL 28 HB VAL 28 2.059 -1.615 2.693 201 HG11 VAL 28 HG11 VAL 28 -0.749 -2.799 2.915 202 HG12 VAL 28 HG12 VAL 28 -0.353 -1.133 2.437 203 HG13 VAL 28 HG13 VAL 28 0.117 -2.480 1.399 204 HG21 VAL 28 HG21 VAL 28 0.377 -2.344 5.134 205 HG22 VAL 28 HG22 VAL 28 2.023 -1.679 5.166 206 HG23 VAL 28 HG23 VAL 28 0.696 -0.697 4.545 207 H ARG 29 H ARG 29 3.747 -3.198 1.537 208 HA ARG 29 HA ARG 29 2.680 -4.254 -0.892 209 HB2 ARG 29 HB2 ARG 29 4.575 -2.611 -0.589 210 HB3 ARG 29 HB3 ARG 29 5.617 -3.945 -0.103 211 HG2 ARG 29 HG2 ARG 29 5.394 -4.973 -2.319 212 HG3 ARG 29 HG3 ARG 29 4.165 -3.774 -2.787 213 HD2 ARG 29 HD2 ARG 29 5.825 -1.958 -2.482 214 HD3 ARG 29 HD3 ARG 29 7.061 -3.153 -2.057 215 HE ARG 29 HE ARG 29 6.295 -4.078 -4.480 216 HH11 ARG 29 HH11 ARG 29 7.169 -0.808 -3.545 217 HH12 ARG 29 HH12 ARG 29 7.846 -0.450 -5.106 218 HH21 ARG 29 HH21 ARG 29 7.156 -3.532 -6.464 219 HH22 ARG 29 HH22 ARG 29 7.881 -1.970 -6.689 220 H THR 30 H THR 30 4.933 -5.778 1.448 221 HA THR 30 HA THR 30 5.188 -8.284 0.133 222 HB THR 30 HB THR 30 5.325 -7.657 3.107 223 HG1 THR 30 HG1 THR 30 6.875 -6.581 2.001 224 HG21 THR 30 HG21 THR 30 6.760 -9.697 3.235 225 HG22 THR 30 HG22 THR 30 6.291 -10.107 1.569 226 HG23 THR 30 HG23 THR 30 5.076 -10.078 2.870 227 H LYS 31 H LYS 31 2.770 -7.313 2.637 228 HA LYS 31 HA LYS 31 1.403 -9.811 2.733 229 HB2 LYS 31 HB2 LYS 31 0.608 -6.940 3.322 230 HB3 LYS 31 HB3 LYS 31 -0.590 -8.215 3.440 231 HG2 LYS 31 HG2 LYS 31 2.024 -8.613 4.901 232 HG3 LYS 31 HG3 LYS 31 0.876 -7.434 5.526 233 HD2 LYS 31 HD2 LYS 31 0.562 -9.572 6.630 234 HD3 LYS 31 HD3 LYS 31 -0.879 -9.111 5.719 235 HE2 LYS 31 HE2 LYS 31 -0.257 -10.677 3.906 236 HE3 LYS 31 HE3 LYS 31 1.231 -11.102 4.769 237 HZ1 LYS 31 HZ1 LYS 31 -0.144 -11.990 6.570 238 HZ2 LYS 31 HZ2 LYS 31 -0.536 -12.727 5.171 239 HZ3 LYS 31 HZ3 LYS 31 -1.520 -11.582 5.793 240 H VAL 32 H VAL 32 0.773 -7.015 0.567 241 HA VAL 32 HA VAL 32 -1.463 -8.364 -0.696 242 HB VAL 32 HB VAL 32 0.123 -5.929 -1.554 243 HG11 VAL 32 HG11 VAL 32 -2.401 -7.171 -2.749 244 HG12 VAL 32 HG12 VAL 32 -1.843 -5.521 -3.075 245 HG13 VAL 32 HG13 VAL 32 -0.852 -6.888 -3.579 246 HG21 VAL 32 HG21 VAL 32 -1.963 -4.781 -0.793 247 HG22 VAL 32 HG22 VAL 32 -2.650 -6.341 -0.319 248 HG23 VAL 32 HG23 VAL 32 -1.231 -5.690 0.524 249 H CYS 33 H CYS 33 2.013 -8.095 -1.686 250 HA CYS 33 HA CYS 33 1.735 -9.681 -4.049 251 HB2 CYS 33 HB2 CYS 33 4.064 -9.304 -2.122 252 HB3 CYS 33 HB3 CYS 33 4.176 -10.167 -3.668 253 HG CYS 33 HG CYS 33 5.193 -7.773 -3.955 254 H ALA 34 H ALA 34 2.165 -10.716 -0.630 255 HA ALA 34 HA ALA 34 2.261 -13.527 -1.198 256 HB1 ALA 34 HB1 ALA 34 1.872 -13.755 1.221 257 HB2 ALA 34 HB2 ALA 34 3.095 -12.516 0.886 258 HB3 ALA 34 HB3 ALA 34 1.442 -12.037 1.333 259 H MET 35 H MET 35 -0.532 -11.358 -0.455 260 HA MET 35 HA MET 35 -2.533 -13.435 -0.516 261 HB2 MET 35 HB2 MET 35 -2.620 -10.429 -0.949 262 HB3 MET 35 HB3 MET 35 -4.066 -11.428 -1.073 263 HG2 MET 35 HG2 MET 35 -2.297 -11.400 1.397 264 HG3 MET 35 HG3 MET 35 -3.685 -10.338 1.161 265 HE1 MET 35 HE1 MET 35 -5.125 -12.740 3.839 266 HE2 MET 35 HE2 MET 35 -3.473 -12.091 3.731 267 HE3 MET 35 HE3 MET 35 -4.866 -11.052 3.346 268 H LYS 36 H LYS 36 -1.185 -11.373 -3.101 269 HA LYS 36 HA LYS 36 -2.813 -12.524 -5.238 270 HB2 LYS 36 HB2 LYS 36 -0.224 -10.913 -5.221 271 HB3 LYS 36 HB3 LYS 36 -1.105 -11.306 -6.683 272 HG2 LYS 36 HG2 LYS 36 -2.553 -9.800 -4.485 273 HG3 LYS 36 HG3 LYS 36 -1.360 -8.972 -5.465 274 HD2 LYS 36 HD2 LYS 36 -3.540 -8.583 -6.407 275 HD3 LYS 36 HD3 LYS 36 -2.546 -9.506 -7.521 276 HE2 LYS 36 HE2 LYS 36 -4.771 -10.385 -7.604 277 HE3 LYS 36 HE3 LYS 36 -3.736 -11.596 -6.858 278 HZ1 LYS 36 HZ1 LYS 36 -4.611 -10.869 -4.675 279 HZ2 LYS 36 HZ2 LYS 36 -5.836 -11.326 -5.651 280 HZ3 LYS 36 HZ3 LYS 36 -5.551 -9.743 -5.390 281 H LYS 37 H LYS 37 0.088 -13.535 -3.682 282 HA LYS 37 HA LYS 37 1.766 -14.980 -4.083 283 HB2 LYS 37 HB2 LYS 37 -0.309 -16.650 -5.555 284 HB3 LYS 37 HB3 LYS 37 1.282 -17.184 -5.006 285 HG2 LYS 37 HG2 LYS 37 0.524 -16.434 -2.635 286 HG3 LYS 37 HG3 LYS 37 -1.107 -16.375 -3.321 287 HD2 LYS 37 HD2 LYS 37 -0.918 -18.496 -2.297 288 HD3 LYS 37 HD3 LYS 37 -0.734 -18.825 -4.031 289 HE2 LYS 37 HE2 LYS 37 1.744 -18.863 -3.742 290 HE3 LYS 37 HE3 LYS 37 1.556 -18.457 -2.033 291 HZ1 LYS 37 HZ1 LYS 37 0.577 -20.956 -3.307 292 HZ2 LYS 37 HZ2 LYS 37 0.385 -20.575 -1.728 293 HZ3 LYS 37 HZ3 LYS 37 1.879 -20.834 -2.329 294 H LEU 38 H LEU 38 1.991 -12.838 -5.525 295 HA LEU 38 HA LEU 38 3.175 -13.704 -8.106 296 HB2 LEU 38 HB2 LEU 38 1.106 -11.533 -7.665 297 HB3 LEU 38 HB3 LEU 38 2.208 -11.448 -9.018 298 HG LEU 38 HG LEU 38 0.346 -13.811 -8.551 299 HD11 LEU 38 HD11 LEU 38 -0.935 -11.748 -8.983 300 HD12 LEU 38 HD12 LEU 38 -1.014 -12.851 -10.363 301 HD13 LEU 38 HD13 LEU 38 0.052 -11.428 -10.426 302 HD21 LEU 38 HD21 LEU 38 2.287 -14.386 -9.966 303 HD22 LEU 38 HD22 LEU 38 1.984 -12.956 -10.982 304 HD23 LEU 38 HD23 LEU 38 0.819 -14.298 -10.937 305 HA PRO 39 HA PRO 39 6.607 -11.338 -6.855 306 HB2 PRO 39 HB2 PRO 39 7.835 -10.672 -9.221 307 HB3 PRO 39 HB3 PRO 39 7.703 -12.354 -8.625 308 HG2 PRO 39 HG2 PRO 39 5.879 -10.929 -10.596 309 HG3 PRO 39 HG3 PRO 39 6.687 -12.519 -10.792 310 HD2 PRO 39 HD2 PRO 39 4.130 -12.348 -9.936 311 HD3 PRO 39 HD3 PRO 39 5.245 -13.551 -9.226 312 HA PRO 40 HA PRO 40 5.867 -6.954 -6.814 313 HB2 PRO 40 HB2 PRO 40 8.382 -5.843 -6.699 314 HB3 PRO 40 HB3 PRO 40 7.615 -6.729 -5.346 315 HG2 PRO 40 HG2 PRO 40 9.547 -7.819 -7.423 316 HG3 PRO 40 HG3 PRO 40 9.647 -7.967 -5.636 317 HD2 PRO 40 HD2 PRO 40 8.606 -9.954 -7.123 318 HD3 PRO 40 HD3 PRO 40 7.834 -9.501 -5.576 319 H ASP 41 H ASP 41 7.505 -8.355 -9.513 320 HA ASP 41 HA ASP 41 7.720 -6.009 -11.197 321 HB2 ASP 41 HB2 ASP 41 8.996 -8.160 -11.448 322 HB3 ASP 41 HB3 ASP 41 7.497 -8.962 -11.921 323 H THR 42 H THR 42 5.112 -8.357 -10.548 324 HA THR 42 HA THR 42 3.369 -7.116 -12.632 325 HB THR 42 HB THR 42 1.967 -9.135 -12.364 326 HG1 THR 42 HG1 THR 42 2.578 -9.733 -10.276 327 HG21 THR 42 HG21 THR 42 3.451 -10.710 -13.475 328 HG22 THR 42 HG22 THR 42 4.881 -9.791 -12.966 329 HG23 THR 42 HG23 THR 42 3.720 -9.078 -14.112 330 H THR 43 H THR 43 3.858 -6.847 -9.324 331 HA THR 43 HA THR 43 1.297 -5.407 -8.981 332 HB THR 43 HB THR 43 2.185 -7.709 -7.208 333 HG1 THR 43 HG1 THR 43 0.780 -8.051 -9.049 334 HG21 THR 43 HG21 THR 43 0.103 -5.555 -6.635 335 HG22 THR 43 HG22 THR 43 1.525 -5.969 -5.650 336 HG23 THR 43 HG23 THR 43 0.194 -7.117 -5.791 337 H ARG 44 H ARG 44 1.767 -3.432 -8.115 338 HA ARG 44 HA ARG 44 3.989 -3.213 -6.153 339 HB2 ARG 44 HB2 ARG 44 5.095 -1.431 -7.242 340 HB3 ARG 44 HB3 ARG 44 4.958 -2.757 -8.395 341 HG2 ARG 44 HG2 ARG 44 3.065 -1.562 -9.517 342 HG3 ARG 44 HG3 ARG 44 3.216 -0.246 -8.332 343 HD2 ARG 44 HD2 ARG 44 5.636 -0.004 -9.044 344 HD3 ARG 44 HD3 ARG 44 5.282 -1.109 -10.388 345 HE ARG 44 HE ARG 44 3.326 0.881 -10.537 346 HH11 ARG 44 HH11 ARG 44 6.827 0.890 -10.723 347 HH12 ARG 44 HH12 ARG 44 6.867 2.382 -11.622 348 HH21 ARG 44 HH21 ARG 44 3.457 2.793 -11.684 349 HH22 ARG 44 HH22 ARG 44 5.010 3.413 -12.154 350 H LEU 45 H LEU 45 3.996 -1.554 -4.766 351 HA LEU 45 HA LEU 45 1.434 -0.071 -4.376 352 HB2 LEU 45 HB2 LEU 45 1.862 -1.751 -2.675 353 HB3 LEU 45 HB3 LEU 45 3.511 -1.175 -2.457 354 HG LEU 45 HG LEU 45 2.691 0.937 -1.475 355 HD11 LEU 45 HD11 LEU 45 0.442 1.089 -2.544 356 HD12 LEU 45 HD12 LEU 45 0.369 1.157 -0.785 357 HD13 LEU 45 HD13 LEU 45 -0.074 -0.341 -1.617 358 HD21 LEU 45 HD21 LEU 45 1.589 -1.618 -0.241 359 HD22 LEU 45 HD22 LEU 45 1.798 -0.077 0.623 360 HD23 LEU 45 HD23 LEU 45 3.208 -0.930 -0.006 361 H THR 46 H THR 46 1.462 2.107 -4.130 362 HA THR 46 HA THR 46 3.998 3.558 -3.646 363 HB THR 46 HB THR 46 3.744 3.446 -6.092 364 HG1 THR 46 HG1 THR 46 4.045 5.620 -6.386 365 HG21 THR 46 HG21 THR 46 2.041 4.760 -7.244 366 HG22 THR 46 HG22 THR 46 1.260 5.170 -5.704 367 HG23 THR 46 HG23 THR 46 1.261 3.489 -6.296 368 H TYR 47 H TYR 47 3.668 5.802 -2.988 369 HA TYR 47 HA TYR 47 1.072 6.286 -1.570 370 HB2 TYR 47 HB2 TYR 47 2.446 5.295 0.093 371 HB3 TYR 47 HB3 TYR 47 3.877 6.150 -0.457 372 HD1 TYR 47 HD1 TYR 47 0.707 6.511 1.452 373 HD2 TYR 47 HD2 TYR 47 4.350 8.439 0.182 374 HE1 TYR 47 HE1 TYR 47 0.345 8.312 3.128 375 HE2 TYR 47 HE2 TYR 47 3.976 10.248 1.856 376 HH TYR 47 HH TYR 47 1.208 10.206 4.134 377 H LYS 48 H LYS 48 0.357 8.340 -1.748 378 HA LYS 48 HA LYS 48 0.167 10.448 -2.650 379 HB2 LYS 48 HB2 LYS 48 1.642 10.594 -0.485 380 HB3 LYS 48 HB3 LYS 48 2.950 10.977 -1.597 381 HG2 LYS 48 HG2 LYS 48 1.249 12.831 -2.493 382 HG3 LYS 48 HG3 LYS 48 0.382 12.491 -1.007 383 HD2 LYS 48 HD2 LYS 48 1.810 14.392 -0.616 384 HD3 LYS 48 HD3 LYS 48 2.440 13.030 0.306 385 HE2 LYS 48 HE2 LYS 48 4.271 14.274 -0.707 386 HE3 LYS 48 HE3 LYS 48 4.197 12.651 -1.393 387 HZ1 LYS 48 HZ1 LYS 48 3.097 15.084 -2.702 388 HZ2 LYS 48 HZ2 LYS 48 3.119 13.576 -3.353 389 HZ3 LYS 48 HZ3 LYS 48 4.515 14.379 -3.091 390 H GLY 49 H GLY 49 1.228 8.528 -4.540 391 HA2 GLY 49 HA2 GLY 49 1.859 8.530 -6.757 392 HA3 GLY 49 HA3 GLY 49 2.140 10.267 -6.681 393 H ARG 50 H ARG 50 3.929 8.418 -4.321 394 HA ARG 50 HA ARG 50 6.370 8.299 -6.029 395 HB2 ARG 50 HB2 ARG 50 6.128 10.468 -4.748 396 HB3 ARG 50 HB3 ARG 50 6.283 9.562 -3.251 397 HG2 ARG 50 HG2 ARG 50 8.398 9.411 -5.443 398 HG3 ARG 50 HG3 ARG 50 8.334 10.774 -4.328 399 HD2 ARG 50 HD2 ARG 50 8.581 9.242 -2.391 400 HD3 ARG 50 HD3 ARG 50 8.645 7.874 -3.492 401 HE ARG 50 HE ARG 50 10.816 8.381 -4.089 402 HH11 ARG 50 HH11 ARG 50 9.633 11.088 -2.195 403 HH12 ARG 50 HH12 ARG 50 11.215 11.811 -2.087 404 HH21 ARG 50 HH21 ARG 50 12.790 9.373 -3.926 405 HH22 ARG 50 HH22 ARG 50 12.946 10.862 -3.040 406 H ALA 51 H ALA 51 7.502 6.477 -5.813 407 HA ALA 51 HA ALA 51 6.438 4.295 -4.347 408 HB1 ALA 51 HB1 ALA 51 9.156 4.606 -5.688 409 HB2 ALA 51 HB2 ALA 51 8.404 3.074 -5.201 410 HB3 ALA 51 HB3 ALA 51 7.652 4.061 -6.469 411 H LEU 52 H LEU 52 6.822 3.445 -2.387 412 HA LEU 52 HA LEU 52 9.194 4.262 -0.788 413 HB2 LEU 52 HB2 LEU 52 6.295 4.253 0.120 414 HB3 LEU 52 HB3 LEU 52 7.653 4.245 1.234 415 HG LEU 52 HG LEU 52 6.956 6.474 -0.720 416 HD11 LEU 52 HD11 LEU 52 6.449 7.722 1.338 417 HD12 LEU 52 HD12 LEU 52 6.895 6.318 2.330 418 HD13 LEU 52 HD13 LEU 52 5.477 6.241 1.275 419 HD21 LEU 52 HD21 LEU 52 9.202 6.295 1.344 420 HD22 LEU 52 HD22 LEU 52 8.705 7.776 0.498 421 HD23 LEU 52 HD23 LEU 52 9.399 6.439 -0.417 422 H LYS 53 H LYS 53 9.799 2.851 0.828 423 HA LYS 53 HA LYS 53 8.687 0.186 1.175 424 HB2 LYS 53 HB2 LYS 53 9.878 0.032 -1.066 425 HB3 LYS 53 HB3 LYS 53 11.392 0.390 -0.237 426 HG2 LYS 53 HG2 LYS 53 10.990 -1.664 1.207 427 HG3 LYS 53 HG3 LYS 53 9.571 -2.020 0.214 428 HD2 LYS 53 HD2 LYS 53 12.460 -1.836 -0.754 429 HD3 LYS 53 HD3 LYS 53 11.555 -3.326 -0.467 430 HE2 LYS 53 HE2 LYS 53 9.938 -2.699 -2.247 431 HE3 LYS 53 HE3 LYS 53 10.839 -1.206 -2.544 432 HZ1 LYS 53 HZ1 LYS 53 12.765 -2.563 -3.165 433 HZ2 LYS 53 HZ2 LYS 53 11.491 -2.936 -4.109 434 HZ3 LYS 53 HZ3 LYS 53 11.932 -3.944 -2.905 435 H ASP 54 H ASP 54 11.689 2.079 1.408 436 HA ASP 54 HA ASP 54 12.562 0.865 3.876 437 HB2 ASP 54 HB2 ASP 54 13.968 1.649 1.907 438 HB3 ASP 54 HB3 ASP 54 13.670 3.303 2.433 439 H THR 55 H THR 55 9.991 2.335 4.094 440 HA THR 55 HA THR 55 10.302 4.899 5.296 441 HB THR 55 HB THR 55 8.003 2.936 5.614 442 HG1 THR 55 HG1 THR 55 8.497 4.830 3.573 443 HG21 THR 55 HG21 THR 55 7.639 4.901 7.006 444 HG22 THR 55 HG22 THR 55 6.592 4.989 5.584 445 HG23 THR 55 HG23 THR 55 8.067 5.981 5.661 446 H GLU 56 H GLU 56 10.453 1.715 6.685 447 HA GLU 56 HA GLU 56 10.848 0.833 8.674 448 HB2 GLU 56 HB2 GLU 56 12.736 2.614 8.517 449 HB3 GLU 56 HB3 GLU 56 11.828 3.457 9.773 450 HG2 GLU 56 HG2 GLU 56 13.319 2.237 11.020 451 HG3 GLU 56 HG3 GLU 56 11.915 1.162 11.053 452 H THR 57 H THR 57 9.557 4.049 9.660 453 HA THR 57 HA THR 57 7.062 2.823 10.532 454 HB THR 57 HB THR 57 6.926 3.803 12.723 455 HG1 THR 57 HG1 THR 57 8.835 4.632 13.717 456 HG21 THR 57 HG21 THR 57 7.856 1.506 12.645 457 HG22 THR 57 HG22 THR 57 8.395 2.436 14.050 458 HG23 THR 57 HG23 THR 57 9.499 2.193 12.678 459 H LEU 58 H LEU 58 5.331 4.306 10.507 460 HA LEU 58 HA LEU 58 5.815 6.904 9.225 461 HB2 LEU 58 HB2 LEU 58 3.316 5.614 10.383 462 HB3 LEU 58 HB3 LEU 58 3.339 7.157 9.531 463 HG LEU 58 HG LEU 58 4.225 4.529 8.261 464 HD11 LEU 58 HD11 LEU 58 2.062 4.570 7.101 465 HD12 LEU 58 HD12 LEU 58 1.576 6.012 8.022 466 HD13 LEU 58 HD13 LEU 58 1.836 4.460 8.853 467 HD21 LEU 58 HD21 LEU 58 3.563 7.251 7.051 468 HD22 LEU 58 HD22 LEU 58 3.940 5.772 6.140 469 HD23 LEU 58 HD23 LEU 58 5.179 6.518 7.151 470 H GLU 59 H GLU 59 5.364 5.763 12.535 471 HA GLU 59 HA GLU 59 4.712 8.173 13.824 472 HB2 GLU 59 HB2 GLU 59 4.730 5.878 14.800 473 HB3 GLU 59 HB3 GLU 59 6.492 5.954 14.903 474 HG2 GLU 59 HG2 GLU 59 6.345 7.906 16.406 475 HG3 GLU 59 HG3 GLU 59 4.588 7.931 16.238 476 H SER 60 H SER 60 7.957 7.076 12.796 477 HA SER 60 HA SER 60 9.456 9.110 14.120 478 HB2 SER 60 HB2 SER 60 11.269 8.504 12.686 479 HB3 SER 60 HB3 SER 60 10.412 7.029 13.142 480 HG SER 60 HG SER 60 9.516 6.924 11.096 481 H LEU 61 H LEU 61 7.437 9.362 11.315 482 HA LEU 61 HA LEU 61 8.535 12.044 10.584 483 HB2 LEU 61 HB2 LEU 61 6.656 10.220 9.043 484 HB3 LEU 61 HB3 LEU 61 7.350 11.733 8.469 485 HG LEU 61 HG LEU 61 8.903 9.174 9.073 486 HD11 LEU 61 HD11 LEU 61 9.240 9.097 6.650 487 HD12 LEU 61 HD12 LEU 61 8.260 10.567 6.445 488 HD13 LEU 61 HD13 LEU 61 7.514 9.067 7.043 489 HD21 LEU 61 HD21 LEU 61 9.864 11.846 7.950 490 HD22 LEU 61 HD22 LEU 61 10.818 10.345 8.005 491 HD23 LEU 61 HD23 LEU 61 10.333 11.128 9.510 492 H GLY 62 H GLY 62 6.191 10.814 12.558 493 HA2 GLY 62 HA2 GLY 62 4.413 11.853 13.648 494 HA3 GLY 62 HA3 GLY 62 4.473 13.207 12.528 495 H VAL 63 H VAL 63 2.708 10.558 13.459 496 HA VAL 63 HA VAL 63 1.485 9.805 10.902 497 HB VAL 63 HB VAL 63 1.001 9.056 13.796 498 HG11 VAL 63 HG11 VAL 63 -0.602 8.090 11.393 499 HG12 VAL 63 HG12 VAL 63 -0.604 7.340 13.009 500 HG13 VAL 63 HG13 VAL 63 -1.232 8.979 12.815 501 HG21 VAL 63 HG21 VAL 63 1.758 6.868 13.017 502 HG22 VAL 63 HG22 VAL 63 1.780 7.427 11.336 503 HG23 VAL 63 HG23 VAL 63 2.932 8.083 12.510 504 H ALA 64 H ALA 64 -0.556 10.254 10.172 505 HA ALA 64 HA ALA 64 -2.291 12.194 11.566 506 HB1 ALA 64 HB1 ALA 64 -2.352 13.669 9.583 507 HB2 ALA 64 HB2 ALA 64 -0.706 13.557 10.223 508 HB3 ALA 64 HB3 ALA 64 -1.157 12.642 8.766 509 H ASP 65 H ASP 65 -4.315 12.562 10.142 510 HA ASP 65 HA ASP 65 -5.379 10.048 8.991 511 HB2 ASP 65 HB2 ASP 65 -6.727 11.596 10.467 512 HB3 ASP 65 HB3 ASP 65 -6.634 12.811 9.193 513 H GLY 66 H GLY 66 -6.361 10.177 6.788 514 HA2 GLY 66 HA2 GLY 66 -6.409 10.714 4.552 515 HA3 GLY 66 HA3 GLY 66 -5.586 12.228 4.917 516 H ASP 67 H ASP 67 -3.826 9.389 5.877 517 HA ASP 67 HA ASP 67 -1.870 9.602 3.709 518 HB2 ASP 67 HB2 ASP 67 -2.288 7.646 5.981 519 HB3 ASP 67 HB3 ASP 67 -1.102 7.353 4.715 520 H LYS 68 H LYS 68 -1.888 8.674 1.803 521 HA LYS 68 HA LYS 68 -4.132 6.831 1.087 522 HB2 LYS 68 HB2 LYS 68 -3.242 9.440 -0.160 523 HB3 LYS 68 HB3 LYS 68 -4.161 8.238 -1.079 524 HG2 LYS 68 HG2 LYS 68 -6.044 8.366 0.364 525 HG3 LYS 68 HG3 LYS 68 -5.154 9.225 1.618 526 HD2 LYS 68 HD2 LYS 68 -6.636 10.764 0.522 527 HD3 LYS 68 HD3 LYS 68 -4.963 11.211 0.163 528 HE2 LYS 68 HE2 LYS 68 -5.147 10.109 -2.060 529 HE3 LYS 68 HE3 LYS 68 -6.807 9.623 -1.687 530 HZ1 LYS 68 HZ1 LYS 68 -5.862 12.435 -1.895 531 HZ2 LYS 68 HZ2 LYS 68 -7.394 11.987 -1.551 532 HZ3 LYS 68 HZ3 LYS 68 -6.757 11.657 -3.015 533 H PHE 69 H PHE 69 -3.735 5.183 -0.060 534 HA PHE 69 HA PHE 69 -1.011 4.720 -1.211 535 HB2 PHE 69 HB2 PHE 69 -2.892 2.889 0.309 536 HB3 PHE 69 HB3 PHE 69 -1.382 2.388 -0.416 537 HD1 PHE 69 HD1 PHE 69 0.808 3.259 0.486 538 HD2 PHE 69 HD2 PHE 69 -2.955 4.086 2.427 539 HE1 PHE 69 HE1 PHE 69 2.015 3.945 2.546 540 HE2 PHE 69 HE2 PHE 69 -1.741 4.771 4.482 541 HZ PHE 69 HZ PHE 69 0.744 4.696 4.546 542 H VAL 70 H VAL 70 -0.860 3.901 -3.206 543 HA VAL 70 HA VAL 70 -3.354 3.039 -4.642 544 HB VAL 70 HB VAL 70 -0.960 4.483 -5.817 545 HG11 VAL 70 HG11 VAL 70 -2.370 4.661 -7.844 546 HG12 VAL 70 HG12 VAL 70 -2.016 2.980 -7.446 547 HG13 VAL 70 HG13 VAL 70 -3.613 3.659 -7.066 548 HG21 VAL 70 HG21 VAL 70 -2.505 6.376 -6.188 549 HG22 VAL 70 HG22 VAL 70 -3.761 5.531 -5.261 550 HG23 VAL 70 HG23 VAL 70 -2.262 6.059 -4.470 551 H LEU 71 H LEU 71 -3.324 1.058 -5.486 552 HA LEU 71 HA LEU 71 -0.721 -0.409 -5.623 553 HB2 LEU 71 HB2 LEU 71 -2.990 -0.888 -3.944 554 HB3 LEU 71 HB3 LEU 71 -2.981 -2.179 -5.133 555 HG LEU 71 HG LEU 71 -0.425 -1.407 -3.687 556 HD11 LEU 71 HD11 LEU 71 -2.091 -1.767 -1.935 557 HD12 LEU 71 HD12 LEU 71 -0.923 -3.096 -1.990 558 HD13 LEU 71 HD13 LEU 71 -2.560 -3.311 -2.673 559 HD21 LEU 71 HD21 LEU 71 -1.445 -4.041 -4.838 560 HD22 LEU 71 HD22 LEU 71 0.153 -3.761 -4.106 561 HD23 LEU 71 HD23 LEU 71 -0.286 -2.965 -5.626 562 H ILE 72 H ILE 72 -0.186 -1.092 -7.521 563 HA ILE 72 HA ILE 72 -2.247 -1.206 -9.696 564 HB ILE 72 HB ILE 72 0.660 -0.340 -9.825 565 HG12 ILE 72 HG12 ILE 72 -1.931 1.256 -10.136 566 HG13 ILE 72 HG13 ILE 72 -0.837 1.326 -8.753 567 HG21 ILE 72 HG21 ILE 72 0.200 0.183 -12.202 568 HG22 ILE 72 HG22 ILE 72 -0.034 -1.526 -11.897 569 HG23 ILE 72 HG23 ILE 72 -1.449 -0.458 -12.034 570 HD11 ILE 72 HD11 ILE 72 0.978 2.181 -10.246 571 HD12 ILE 72 HD12 ILE 72 -0.227 2.307 -11.556 572 HD13 ILE 72 HD13 ILE 72 -0.425 3.254 -10.076 573 H THR 73 H THR 73 -2.455 -3.042 -10.783 574 HA THR 73 HA THR 73 -0.371 -5.167 -10.559 575 HB THR 73 HB THR 73 -2.064 -6.854 -10.610 576 HG1 THR 73 HG1 THR 73 -4.224 -6.355 -10.638 577 HG21 THR 73 HG21 THR 73 -2.977 -4.840 -8.511 578 HG22 THR 73 HG22 THR 73 -1.500 -5.811 -8.369 579 HG23 THR 73 HG23 THR 73 -3.073 -6.616 -8.448 580 H ARG 74 H ARG 74 -0.216 -6.614 -12.368 581 HA ARG 74 HA ARG 74 -1.204 -5.518 -14.978 582 HB2 ARG 74 HB2 ARG 74 1.107 -4.716 -14.274 583 HB3 ARG 74 HB3 ARG 74 1.670 -6.378 -14.460 584 HG2 ARG 74 HG2 ARG 74 0.948 -6.337 -16.852 585 HG3 ARG 74 HG3 ARG 74 0.367 -4.677 -16.648 586 HD2 ARG 74 HD2 ARG 74 3.242 -5.621 -16.306 587 HD3 ARG 74 HD3 ARG 74 2.598 -4.766 -17.719 588 HE ARG 74 HE ARG 74 1.983 -3.043 -15.686 589 HH11 ARG 74 HH11 ARG 74 5.036 -4.452 -16.665 590 HH12 ARG 74 HH12 ARG 74 5.963 -3.161 -15.952 591 HH21 ARG 74 HH21 ARG 74 3.225 -1.439 -14.787 592 HH22 ARG 74 HH22 ARG 74 4.957 -1.494 -14.936 593 H THR 75 H THR 75 -2.276 -6.994 -16.022 594 HA THR 75 HA THR 75 -1.800 -9.893 -15.510 595 HB THR 75 HB THR 75 -4.258 -8.668 -16.792 596 HG1 THR 75 HG1 THR 75 -4.059 -7.841 -14.723 597 HG21 THR 75 HG21 THR 75 -4.058 -11.136 -17.086 598 HG22 THR 75 HG22 THR 75 -5.341 -10.736 -15.941 599 HG23 THR 75 HG23 THR 75 -3.772 -11.319 -15.342 600 H VAL 76 H VAL 76 0.163 -9.024 -16.985 601 HA VAL 76 HA VAL 76 -0.361 -9.211 -19.865 602 HB VAL 76 HB VAL 76 1.307 -7.664 -19.026 603 HG11 VAL 76 HG11 VAL 76 2.214 -8.924 -17.094 604 HG12 VAL 76 HG12 VAL 76 2.977 -10.078 -18.210 605 HG13 VAL 76 HG13 VAL 76 3.487 -8.381 -18.193 606 HG21 VAL 76 HG21 VAL 76 1.516 -8.591 -21.319 607 HG22 VAL 76 HG22 VAL 76 3.065 -8.113 -20.612 608 HG23 VAL 76 HG23 VAL 76 2.635 -9.831 -20.699 609 H GLY 77 H GLY 77 0.179 -10.869 -21.236 610 HA2 GLY 77 HA2 GLY 77 0.647 -13.007 -21.992 611 HA3 GLY 77 HA3 GLY 77 1.530 -13.318 -20.499 Start of MODEL 12 1 HA MET 1 HA MET 1 -4.255 5.875 12.359 2 HB2 MET 1 HB2 MET 1 -5.945 5.532 13.913 3 HB3 MET 1 HB3 MET 1 -5.346 7.161 14.208 4 HG2 MET 1 HG2 MET 1 -7.375 7.979 12.841 5 HG3 MET 1 HG3 MET 1 -7.987 6.328 12.961 6 HE1 MET 1 HE1 MET 1 -8.580 5.126 15.281 7 HE2 MET 1 HE2 MET 1 -7.026 5.535 16.045 8 HE3 MET 1 HE3 MET 1 -8.547 5.943 16.857 9 H LYS 2 H LYS 2 -7.002 7.407 10.529 10 HA LYS 2 HA LYS 2 -7.624 4.763 9.321 11 HB2 LYS 2 HB2 LYS 2 -8.918 7.493 8.972 12 HB3 LYS 2 HB3 LYS 2 -9.393 6.018 8.120 13 HG2 LYS 2 HG2 LYS 2 -9.859 4.903 10.296 14 HG3 LYS 2 HG3 LYS 2 -9.484 6.417 11.139 15 HD2 LYS 2 HD2 LYS 2 -11.311 7.552 9.861 16 HD3 LYS 2 HD3 LYS 2 -11.701 5.999 9.086 17 HE2 LYS 2 HE2 LYS 2 -12.150 5.001 11.318 18 HE3 LYS 2 HE3 LYS 2 -11.761 6.542 12.090 19 HZ1 LYS 2 HZ1 LYS 2 -13.639 7.541 10.893 20 HZ2 LYS 2 HZ2 LYS 2 -14.157 6.287 11.800 21 HZ3 LYS 2 HZ3 LYS 2 -14.001 6.112 10.184 22 H ILE 3 H ILE 3 -7.464 4.312 7.195 23 HA ILE 3 HA ILE 3 -5.949 6.123 5.384 24 HB ILE 3 HB ILE 3 -4.783 4.180 4.438 25 HG12 ILE 3 HG12 ILE 3 -5.492 2.498 6.856 26 HG13 ILE 3 HG13 ILE 3 -6.541 2.488 5.442 27 HG21 ILE 3 HG21 ILE 3 -3.076 3.960 6.158 28 HG22 ILE 3 HG22 ILE 3 -3.679 5.619 6.091 29 HG23 ILE 3 HG23 ILE 3 -4.204 4.545 7.399 30 HD11 ILE 3 HD11 ILE 3 -3.608 1.722 5.433 31 HD12 ILE 3 HD12 ILE 3 -5.003 0.639 5.294 32 HD13 ILE 3 HD13 ILE 3 -4.665 1.800 3.998 33 H LYS 4 H LYS 4 -6.210 5.543 3.090 34 HA LYS 4 HA LYS 4 -8.620 3.890 2.457 35 HB2 LYS 4 HB2 LYS 4 -8.611 6.681 2.268 36 HB3 LYS 4 HB3 LYS 4 -8.261 6.172 0.618 37 HG2 LYS 4 HG2 LYS 4 -10.290 4.697 0.684 38 HG3 LYS 4 HG3 LYS 4 -10.607 5.265 2.337 39 HD2 LYS 4 HD2 LYS 4 -10.685 7.627 1.455 40 HD3 LYS 4 HD3 LYS 4 -10.538 6.975 -0.189 41 HE2 LYS 4 HE2 LYS 4 -12.642 5.658 0.190 42 HE3 LYS 4 HE3 LYS 4 -12.764 6.352 1.811 43 HZ1 LYS 4 HZ1 LYS 4 -12.962 8.557 0.788 44 HZ2 LYS 4 HZ2 LYS 4 -14.137 7.575 0.226 45 HZ3 LYS 4 HZ3 LYS 4 -12.851 7.925 -0.716 46 H ILE 5 H ILE 5 -7.938 2.186 1.334 47 HA ILE 5 HA ILE 5 -5.573 2.506 -0.454 48 HB ILE 5 HB ILE 5 -5.358 0.764 1.206 49 HG12 ILE 5 HG12 ILE 5 -5.549 -0.480 -1.568 50 HG13 ILE 5 HG13 ILE 5 -4.335 0.729 -1.149 51 HG21 ILE 5 HG21 ILE 5 -7.734 0.042 1.400 52 HG22 ILE 5 HG22 ILE 5 -7.645 -0.674 -0.223 53 HG23 ILE 5 HG23 ILE 5 -6.656 -1.320 1.101 54 HD11 ILE 5 HD11 ILE 5 -3.476 -0.723 0.664 55 HD12 ILE 5 HD12 ILE 5 -4.640 -1.985 0.188 56 HD13 ILE 5 HD13 ILE 5 -3.369 -1.475 -0.938 57 H VAL 6 H VAL 6 -5.675 2.250 -2.592 58 HA VAL 6 HA VAL 6 -8.350 1.808 -3.869 59 HB VAL 6 HB VAL 6 -6.266 3.749 -4.904 60 HG11 VAL 6 HG11 VAL 6 -8.195 4.629 -6.148 61 HG12 VAL 6 HG12 VAL 6 -7.992 2.910 -6.492 62 HG13 VAL 6 HG13 VAL 6 -9.266 3.444 -5.377 63 HG21 VAL 6 HG21 VAL 6 -6.813 4.682 -2.775 64 HG22 VAL 6 HG22 VAL 6 -7.761 5.556 -3.982 65 HG23 VAL 6 HG23 VAL 6 -8.532 4.307 -2.974 66 HA PRO 7 HA PRO 7 -5.394 -1.095 -5.785 67 HB2 PRO 7 HB2 PRO 7 -6.792 -3.425 -5.637 68 HB3 PRO 7 HB3 PRO 7 -5.923 -2.742 -4.230 69 HG2 PRO 7 HG2 PRO 7 -8.875 -2.487 -4.894 70 HG3 PRO 7 HG3 PRO 7 -8.123 -2.925 -3.329 71 HD2 PRO 7 HD2 PRO 7 -8.941 -0.368 -3.941 72 HD3 PRO 7 HD3 PRO 7 -7.550 -0.706 -2.872 73 H ALA 8 H ALA 8 -5.228 -1.325 -7.947 74 HA ALA 8 HA ALA 8 -7.448 -0.901 -9.753 75 HB1 ALA 8 HB1 ALA 8 -5.143 -0.133 -10.191 76 HB2 ALA 8 HB2 ALA 8 -4.588 -1.821 -10.258 77 HB3 ALA 8 HB3 ALA 8 -5.725 -1.204 -11.477 78 H VAL 9 H VAL 9 -8.245 -2.996 -8.159 79 HA VAL 9 HA VAL 9 -8.183 -5.449 -9.869 80 HB VAL 9 HB VAL 9 -7.677 -5.363 -6.868 81 HG11 VAL 9 HG11 VAL 9 -7.790 -7.745 -8.768 82 HG12 VAL 9 HG12 VAL 9 -7.264 -7.795 -7.068 83 HG13 VAL 9 HG13 VAL 9 -8.930 -7.392 -7.445 84 HG21 VAL 9 HG21 VAL 9 -5.457 -6.323 -7.415 85 HG22 VAL 9 HG22 VAL 9 -5.811 -6.135 -9.147 86 HG23 VAL 9 HG23 VAL 9 -5.647 -4.711 -8.096 87 H GLY 10 H GLY 10 -10.069 -6.642 -9.874 88 HA2 GLY 10 HA2 GLY 10 -12.286 -7.191 -9.546 89 HA3 GLY 10 HA3 GLY 10 -12.078 -6.637 -7.886 90 H GLY 11 H GLY 11 -13.418 -5.048 -7.295 91 HA2 GLY 11 HA2 GLY 11 -15.112 -3.563 -9.098 92 HA3 GLY 11 HA3 GLY 11 -14.931 -3.317 -7.360 93 H GLY 12 H GLY 12 -11.844 -2.935 -8.066 94 HA2 GLY 12 HA2 GLY 12 -10.394 -1.255 -8.593 95 HA3 GLY 12 HA3 GLY 12 -11.594 -0.639 -9.720 96 H SER 13 H SER 13 -12.795 -0.701 -6.532 97 HA SER 13 HA SER 13 -12.873 2.248 -6.508 98 HB2 SER 13 HB2 SER 13 -14.431 0.126 -4.981 99 HB3 SER 13 HB3 SER 13 -14.673 1.866 -4.792 100 HG SER 13 HG SER 13 -14.956 0.386 -7.222 101 HA PRO 14 HA PRO 14 -10.320 2.772 -2.833 102 HB2 PRO 14 HB2 PRO 14 -11.563 4.850 -1.549 103 HB3 PRO 14 HB3 PRO 14 -10.619 5.070 -3.049 104 HG2 PRO 14 HG2 PRO 14 -13.621 4.729 -2.803 105 HG3 PRO 14 HG3 PRO 14 -12.716 5.991 -3.702 106 HD2 PRO 14 HD2 PRO 14 -13.649 3.806 -4.968 107 HD3 PRO 14 HD3 PRO 14 -12.028 4.441 -5.366 108 H LEU 15 H LEU 15 -10.269 2.031 -0.744 109 HA LEU 15 HA LEU 15 -12.792 1.316 0.674 110 HB2 LEU 15 HB2 LEU 15 -11.934 -0.581 -0.649 111 HB3 LEU 15 HB3 LEU 15 -10.406 -0.530 0.214 112 HG LEU 15 HG LEU 15 -12.968 -0.802 1.809 113 HD11 LEU 15 HD11 LEU 15 -12.931 -3.248 1.511 114 HD12 LEU 15 HD12 LEU 15 -11.628 -3.091 0.311 115 HD13 LEU 15 HD13 LEU 15 -13.241 -2.423 -0.022 116 HD21 LEU 15 HD21 LEU 15 -10.218 -2.104 2.105 117 HD22 LEU 15 HD22 LEU 15 -11.575 -2.227 3.247 118 HD23 LEU 15 HD23 LEU 15 -10.768 -0.679 3.001 119 H GLU 16 H GLU 16 -12.816 2.085 2.676 120 HA GLU 16 HA GLU 16 -10.402 3.261 3.846 121 HB2 GLU 16 HB2 GLU 16 -11.843 4.229 5.495 122 HB3 GLU 16 HB3 GLU 16 -12.490 4.509 3.879 123 HG2 GLU 16 HG2 GLU 16 -14.084 2.575 4.249 124 HG3 GLU 16 HG3 GLU 16 -13.508 2.483 5.918 125 H LEU 17 H LEU 17 -9.382 2.711 5.742 126 HA LEU 17 HA LEU 17 -10.230 0.350 7.289 127 HB2 LEU 17 HB2 LEU 17 -8.727 -0.217 5.111 128 HB3 LEU 17 HB3 LEU 17 -7.432 0.325 6.162 129 HG LEU 17 HG LEU 17 -8.373 -1.403 7.889 130 HD11 LEU 17 HD11 LEU 17 -9.643 -2.464 5.322 131 HD12 LEU 17 HD12 LEU 17 -10.535 -1.824 6.714 132 HD13 LEU 17 HD13 LEU 17 -9.578 -3.303 6.887 133 HD21 LEU 17 HD21 LEU 17 -7.128 -2.341 5.269 134 HD22 LEU 17 HD22 LEU 17 -7.133 -3.243 6.803 135 HD23 LEU 17 HD23 LEU 17 -6.258 -1.711 6.688 136 H GLU 18 H GLU 18 -9.096 0.122 9.303 137 HA GLU 18 HA GLU 18 -7.538 2.476 10.266 138 HB2 GLU 18 HB2 GLU 18 -8.551 -0.025 11.672 139 HB3 GLU 18 HB3 GLU 18 -7.548 1.221 12.428 140 HG2 GLU 18 HG2 GLU 18 -9.289 2.929 11.925 141 HG3 GLU 18 HG3 GLU 18 -10.332 1.662 11.268 142 H VAL 19 H VAL 19 -5.372 2.299 10.969 143 HA VAL 19 HA VAL 19 -3.990 -0.286 10.764 144 HB VAL 19 HB VAL 19 -3.876 0.747 8.473 145 HG11 VAL 19 HG11 VAL 19 -1.959 2.744 9.751 146 HG12 VAL 19 HG12 VAL 19 -2.356 2.573 8.033 147 HG13 VAL 19 HG13 VAL 19 -3.595 3.127 9.174 148 HG21 VAL 19 HG21 VAL 19 -1.168 0.384 9.809 149 HG22 VAL 19 HG22 VAL 19 -2.233 -0.933 9.256 150 HG23 VAL 19 HG23 VAL 19 -1.557 0.213 8.091 151 H ALA 20 H ALA 20 -2.029 -0.403 11.920 152 HA ALA 20 HA ALA 20 -1.861 1.262 14.249 153 HB1 ALA 20 HB1 ALA 20 0.077 -0.799 13.100 154 HB2 ALA 20 HB2 ALA 20 0.112 -0.156 14.756 155 HB3 ALA 20 HB3 ALA 20 -1.266 -1.133 14.220 156 HA PRO 21 HA PRO 21 0.939 4.468 12.776 157 HB2 PRO 21 HB2 PRO 21 2.256 5.195 15.065 158 HB3 PRO 21 HB3 PRO 21 0.529 5.560 14.774 159 HG2 PRO 21 HG2 PRO 21 1.691 3.228 16.337 160 HG3 PRO 21 HG3 PRO 21 0.408 4.371 16.850 161 HD2 PRO 21 HD2 PRO 21 -0.200 1.949 15.801 162 HD3 PRO 21 HD3 PRO 21 -1.178 3.390 15.392 163 H ASN 22 H ASN 22 2.153 1.584 14.337 164 HA ASN 22 HA ASN 22 4.938 1.924 13.580 165 HB2 ASN 22 HB2 ASN 22 3.947 0.667 15.616 166 HB3 ASN 22 HB3 ASN 22 3.549 -0.627 14.488 167 HD21 ASN 22 HD21 ASN 22 5.148 -2.208 14.407 168 HD22 ASN 22 HD22 ASN 22 6.838 -1.910 14.779 169 H ALA 23 H ALA 23 2.649 1.795 11.421 170 HA ALA 23 HA ALA 23 2.838 -0.538 9.902 171 HB1 ALA 23 HB1 ALA 23 2.041 0.875 8.027 172 HB2 ALA 23 HB2 ALA 23 1.151 1.184 9.526 173 HB3 ALA 23 HB3 ALA 23 2.396 2.332 8.981 174 H THR 24 H THR 24 4.380 -1.491 8.824 175 HA THR 24 HA THR 24 6.917 -0.061 8.131 176 HB THR 24 HB THR 24 6.394 -3.020 8.599 177 HG1 THR 24 HG1 THR 24 6.303 -1.626 10.462 178 HG21 THR 24 HG21 THR 24 8.885 -3.169 8.721 179 HG22 THR 24 HG22 THR 24 8.994 -1.486 8.164 180 HG23 THR 24 HG23 THR 24 8.310 -2.745 7.109 181 H VAL 25 H VAL 25 7.454 0.149 6.006 182 HA VAL 25 HA VAL 25 5.643 -0.426 3.919 183 HB VAL 25 HB VAL 25 8.649 -0.016 3.674 184 HG11 VAL 25 HG11 VAL 25 6.409 0.403 1.645 185 HG12 VAL 25 HG12 VAL 25 8.109 0.864 1.426 186 HG13 VAL 25 HG13 VAL 25 7.682 -0.837 1.556 187 HG21 VAL 25 HG21 VAL 25 8.105 2.355 3.310 188 HG22 VAL 25 HG22 VAL 25 6.384 2.024 3.622 189 HG23 VAL 25 HG23 VAL 25 7.585 1.844 4.915 190 H GLY 26 H GLY 26 8.527 -2.284 4.903 191 HA2 GLY 26 HA2 GLY 26 8.464 -4.350 2.979 192 HA3 GLY 26 HA3 GLY 26 9.113 -4.482 4.615 193 H ALA 27 H ALA 27 6.626 -4.072 6.059 194 HA ALA 27 HA ALA 27 5.479 -6.733 5.908 195 HB1 ALA 27 HB1 ALA 27 4.544 -4.268 7.444 196 HB2 ALA 27 HB2 ALA 27 4.025 -5.940 7.708 197 HB3 ALA 27 HB3 ALA 27 5.706 -5.480 8.032 198 H VAL 28 H VAL 28 4.290 -3.454 4.986 199 HA VAL 28 HA VAL 28 1.716 -4.290 4.077 200 HB VAL 28 HB VAL 28 3.391 -1.881 3.281 201 HG11 VAL 28 HG11 VAL 28 1.703 -2.244 1.528 202 HG12 VAL 28 HG12 VAL 28 0.433 -2.430 2.759 203 HG13 VAL 28 HG13 VAL 28 1.248 -0.867 2.531 204 HG21 VAL 28 HG21 VAL 28 2.728 -1.974 5.687 205 HG22 VAL 28 HG22 VAL 28 1.904 -0.670 4.828 206 HG23 VAL 28 HG23 VAL 28 1.034 -2.175 5.202 207 H ARG 29 H ARG 29 4.711 -3.759 2.114 208 HA ARG 29 HA ARG 29 3.496 -4.693 -0.327 209 HB2 ARG 29 HB2 ARG 29 5.688 -4.640 -1.298 210 HB3 ARG 29 HB3 ARG 29 5.474 -3.247 -0.252 211 HG2 ARG 29 HG2 ARG 29 7.579 -3.805 0.414 212 HG3 ARG 29 HG3 ARG 29 6.681 -4.803 1.536 213 HD2 ARG 29 HD2 ARG 29 8.210 -6.349 0.787 214 HD3 ARG 29 HD3 ARG 29 6.912 -6.662 -0.348 215 HE ARG 29 HE ARG 29 8.139 -5.655 -2.088 216 HH11 ARG 29 HH11 ARG 29 9.960 -5.362 0.895 217 HH12 ARG 29 HH12 ARG 29 11.424 -4.917 0.066 218 HH21 ARG 29 HH21 ARG 29 10.061 -5.096 -3.080 219 HH22 ARG 29 HH22 ARG 29 11.478 -4.806 -2.117 220 H THR 30 H THR 30 5.225 -6.504 2.216 221 HA THR 30 HA THR 30 5.218 -9.010 0.775 222 HB THR 30 HB THR 30 5.319 -8.514 3.774 223 HG1 THR 30 HG1 THR 30 7.088 -7.687 2.937 224 HG21 THR 30 HG21 THR 30 5.960 -11.014 2.145 225 HG22 THR 30 HG22 THR 30 4.698 -10.849 3.389 226 HG23 THR 30 HG23 THR 30 6.400 -10.764 3.850 227 H LYS 31 H LYS 31 2.870 -7.578 3.105 228 HA LYS 31 HA LYS 31 1.081 -9.776 3.162 229 HB2 LYS 31 HB2 LYS 31 1.144 -7.753 4.697 230 HB3 LYS 31 HB3 LYS 31 0.403 -6.813 3.411 231 HG2 LYS 31 HG2 LYS 31 -1.266 -7.414 4.990 232 HG3 LYS 31 HG3 LYS 31 -1.613 -8.313 3.520 233 HD2 LYS 31 HD2 LYS 31 0.063 -9.615 5.687 234 HD3 LYS 31 HD3 LYS 31 -1.650 -9.414 5.993 235 HE2 LYS 31 HE2 LYS 31 -0.611 -10.809 3.490 236 HE3 LYS 31 HE3 LYS 31 -0.884 -11.651 5.017 237 HZ1 LYS 31 HZ1 LYS 31 -2.974 -10.176 3.514 238 HZ2 LYS 31 HZ2 LYS 31 -3.206 -10.945 4.937 239 HZ3 LYS 31 HZ3 LYS 31 -2.830 -11.805 3.607 240 H VAL 32 H VAL 32 1.192 -6.998 0.937 241 HA VAL 32 HA VAL 32 -1.036 -7.724 -0.727 242 HB VAL 32 HB VAL 32 1.476 -6.101 -1.233 243 HG11 VAL 32 HG11 VAL 32 0.436 -5.304 -3.323 244 HG12 VAL 32 HG12 VAL 32 0.847 -6.998 -3.431 245 HG13 VAL 32 HG13 VAL 32 -0.846 -6.530 -3.154 246 HG21 VAL 32 HG21 VAL 32 -0.278 -5.165 0.295 247 HG22 VAL 32 HG22 VAL 32 -0.065 -4.212 -1.176 248 HG23 VAL 32 HG23 VAL 32 -1.460 -5.303 -1.022 249 H CYS 33 H CYS 33 2.485 -8.465 -1.190 250 HA CYS 33 HA CYS 33 2.090 -10.042 -3.527 251 HB2 CYS 33 HB2 CYS 33 4.309 -10.115 -1.436 252 HB3 CYS 33 HB3 CYS 33 4.360 -10.925 -3.013 253 HG CYS 33 HG CYS 33 4.150 -7.705 -2.279 254 H ALA 34 H ALA 34 2.017 -11.019 -0.085 255 HA ALA 34 HA ALA 34 1.705 -13.827 -0.537 256 HB1 ALA 34 HB1 ALA 34 2.415 -12.840 1.602 257 HB2 ALA 34 HB2 ALA 34 0.826 -12.067 1.794 258 HB3 ALA 34 HB3 ALA 34 0.966 -13.839 1.818 259 H MET 35 H MET 35 -0.760 -11.205 -0.203 260 HA MET 35 HA MET 35 -3.055 -12.931 -0.465 261 HB2 MET 35 HB2 MET 35 -2.509 -10.027 -0.384 262 HB3 MET 35 HB3 MET 35 -3.782 -10.416 -1.529 263 HG2 MET 35 HG2 MET 35 -3.754 -11.414 1.335 264 HG3 MET 35 HG3 MET 35 -4.570 -9.943 0.795 265 HE1 MET 35 HE1 MET 35 -7.609 -12.308 1.488 266 HE2 MET 35 HE2 MET 35 -6.090 -12.235 2.406 267 HE3 MET 35 HE3 MET 35 -6.857 -10.735 1.829 268 H LYS 36 H LYS 36 -1.203 -11.071 -2.894 269 HA LYS 36 HA LYS 36 -2.765 -12.015 -5.170 270 HB2 LYS 36 HB2 LYS 36 -0.083 -10.607 -4.865 271 HB3 LYS 36 HB3 LYS 36 -0.754 -11.001 -6.435 272 HG2 LYS 36 HG2 LYS 36 -2.231 -9.235 -4.422 273 HG3 LYS 36 HG3 LYS 36 -1.088 -8.641 -5.616 274 HD2 LYS 36 HD2 LYS 36 -3.028 -8.311 -6.773 275 HD3 LYS 36 HD3 LYS 36 -2.566 -9.898 -7.374 276 HE2 LYS 36 HE2 LYS 36 -4.140 -10.815 -5.472 277 HE3 LYS 36 HE3 LYS 36 -4.719 -9.159 -5.349 278 HZ1 LYS 36 HZ1 LYS 36 -6.083 -10.456 -6.878 279 HZ2 LYS 36 HZ2 LYS 36 -4.801 -10.848 -7.801 280 HZ3 LYS 36 HZ3 LYS 36 -5.311 -9.299 -7.738 281 H LYS 37 H LYS 37 -0.174 -13.461 -3.438 282 HA LYS 37 HA LYS 37 1.192 -15.230 -3.745 283 HB2 LYS 37 HB2 LYS 37 -1.001 -16.222 -5.603 284 HB3 LYS 37 HB3 LYS 37 0.329 -17.216 -5.054 285 HG2 LYS 37 HG2 LYS 37 -1.404 -15.900 -2.954 286 HG3 LYS 37 HG3 LYS 37 -2.055 -17.236 -3.884 287 HD2 LYS 37 HD2 LYS 37 -1.124 -18.057 -1.811 288 HD3 LYS 37 HD3 LYS 37 -0.249 -18.715 -3.195 289 HE2 LYS 37 HE2 LYS 37 1.571 -17.061 -2.828 290 HE3 LYS 37 HE3 LYS 37 0.683 -16.393 -1.447 291 HZ1 LYS 37 HZ1 LYS 37 2.373 -18.004 -0.745 292 HZ2 LYS 37 HZ2 LYS 37 1.700 -19.184 -1.646 293 HZ3 LYS 37 HZ3 LYS 37 0.892 -18.573 -0.365 294 H LEU 38 H LEU 38 1.646 -12.912 -5.307 295 HA LEU 38 HA LEU 38 3.346 -13.960 -7.486 296 HB2 LEU 38 HB2 LEU 38 0.950 -12.146 -7.826 297 HB3 LEU 38 HB3 LEU 38 2.396 -11.742 -8.699 298 HG LEU 38 HG LEU 38 2.308 -14.358 -9.393 299 HD11 LEU 38 HD11 LEU 38 -0.017 -14.974 -9.952 300 HD12 LEU 38 HD12 LEU 38 -0.617 -13.531 -9.103 301 HD13 LEU 38 HD13 LEU 38 0.184 -14.835 -8.206 302 HD21 LEU 38 HD21 LEU 38 0.728 -12.110 -10.698 303 HD22 LEU 38 HD22 LEU 38 1.221 -13.629 -11.485 304 HD23 LEU 38 HD23 LEU 38 2.449 -12.481 -10.943 305 HA PRO 39 HA PRO 39 6.292 -11.197 -5.906 306 HB2 PRO 39 HB2 PRO 39 7.863 -10.558 -8.074 307 HB3 PRO 39 HB3 PRO 39 7.753 -12.206 -7.387 308 HG2 PRO 39 HG2 PRO 39 6.207 -11.056 -9.738 309 HG3 PRO 39 HG3 PRO 39 7.150 -12.583 -9.677 310 HD2 PRO 39 HD2 PRO 39 4.479 -12.581 -9.291 311 HD3 PRO 39 HD3 PRO 39 5.533 -13.637 -8.309 312 HA PRO 40 HA PRO 40 5.317 -6.882 -6.276 313 HB2 PRO 40 HB2 PRO 40 7.710 -5.576 -5.899 314 HB3 PRO 40 HB3 PRO 40 6.818 -6.429 -4.602 315 HG2 PRO 40 HG2 PRO 40 9.101 -7.496 -6.301 316 HG3 PRO 40 HG3 PRO 40 8.945 -7.533 -4.512 317 HD2 PRO 40 HD2 PRO 40 8.273 -9.675 -5.995 318 HD3 PRO 40 HD3 PRO 40 7.255 -9.200 -4.607 319 H ASP 41 H ASP 41 7.608 -8.227 -8.581 320 HA ASP 41 HA ASP 41 7.792 -5.980 -10.372 321 HB2 ASP 41 HB2 ASP 41 7.932 -8.969 -10.912 322 HB3 ASP 41 HB3 ASP 41 8.337 -7.716 -12.081 323 H THR 42 H THR 42 5.244 -8.382 -9.875 324 HA THR 42 HA THR 42 3.676 -7.335 -12.178 325 HB THR 42 HB THR 42 2.104 -9.260 -11.469 326 HG1 THR 42 HG1 THR 42 3.295 -9.635 -9.458 327 HG21 THR 42 HG21 THR 42 4.878 -9.873 -12.568 328 HG22 THR 42 HG22 THR 42 3.472 -9.314 -13.506 329 HG23 THR 42 HG23 THR 42 3.435 -10.902 -12.723 330 H THR 43 H THR 43 3.836 -6.820 -8.766 331 HA THR 43 HA THR 43 1.413 -5.133 -8.992 332 HB THR 43 HB THR 43 1.745 -7.128 -6.728 333 HG1 THR 43 HG1 THR 43 0.824 -7.940 -8.668 334 HG21 THR 43 HG21 THR 43 0.805 -5.037 -5.839 335 HG22 THR 43 HG22 THR 43 -0.476 -6.244 -5.989 336 HG23 THR 43 HG23 THR 43 -0.342 -4.946 -7.195 337 H ARG 44 H ARG 44 1.996 -3.158 -8.486 338 HA ARG 44 HA ARG 44 4.022 -2.654 -6.338 339 HB2 ARG 44 HB2 ARG 44 3.753 -1.605 -9.114 340 HB3 ARG 44 HB3 ARG 44 4.102 -0.376 -7.921 341 HG2 ARG 44 HG2 ARG 44 5.775 -2.913 -8.032 342 HG3 ARG 44 HG3 ARG 44 6.052 -1.574 -9.138 343 HD2 ARG 44 HD2 ARG 44 7.581 -1.277 -7.363 344 HD3 ARG 44 HD3 ARG 44 6.343 -0.029 -7.208 345 HE ARG 44 HE ARG 44 6.022 -2.511 -5.599 346 HH11 ARG 44 HH11 ARG 44 7.254 0.763 -5.526 347 HH12 ARG 44 HH12 ARG 44 7.204 0.838 -3.784 348 HH21 ARG 44 HH21 ARG 44 5.931 -2.315 -3.372 349 HH22 ARG 44 HH22 ARG 44 6.514 -0.862 -2.616 350 H LEU 45 H LEU 45 3.945 -0.429 -5.465 351 HA LEU 45 HA LEU 45 1.205 0.518 -4.868 352 HB2 LEU 45 HB2 LEU 45 1.641 -1.270 -3.274 353 HB3 LEU 45 HB3 LEU 45 3.221 -0.605 -2.891 354 HG LEU 45 HG LEU 45 2.234 1.321 -1.775 355 HD11 LEU 45 HD11 LEU 45 -0.266 0.461 -3.099 356 HD12 LEU 45 HD12 LEU 45 0.190 2.025 -2.422 357 HD13 LEU 45 HD13 LEU 45 -0.467 0.752 -1.377 358 HD21 LEU 45 HD21 LEU 45 0.953 -1.291 -0.888 359 HD22 LEU 45 HD22 LEU 45 1.247 0.147 0.120 360 HD23 LEU 45 HD23 LEU 45 2.617 -0.769 -0.528 361 H THR 46 H THR 46 1.087 2.685 -4.550 362 HA THR 46 HA THR 46 3.562 4.231 -3.916 363 HB THR 46 HB THR 46 2.953 5.959 -5.527 364 HG1 THR 46 HG1 THR 46 1.400 5.511 -7.091 365 HG21 THR 46 HG21 THR 46 3.191 3.268 -6.931 366 HG22 THR 46 HG22 THR 46 4.546 4.161 -6.202 367 HG23 THR 46 HG23 THR 46 3.653 4.864 -7.560 368 H TYR 47 H TYR 47 3.272 6.341 -3.169 369 HA TYR 47 HA TYR 47 0.729 7.092 -1.835 370 HB2 TYR 47 HB2 TYR 47 1.765 5.678 -0.190 371 HB3 TYR 47 HB3 TYR 47 3.352 6.333 -0.530 372 HD1 TYR 47 HD1 TYR 47 -0.010 7.648 0.611 373 HD2 TYR 47 HD2 TYR 47 4.281 7.779 1.015 374 HE1 TYR 47 HE1 TYR 47 -0.230 9.284 2.477 375 HE2 TYR 47 HE2 TYR 47 4.057 9.386 2.897 376 HH TYR 47 HH TYR 47 2.614 10.573 4.231 377 H LYS 48 H LYS 48 0.476 9.272 -1.876 378 HA LYS 48 HA LYS 48 0.785 11.435 -2.584 379 HB2 LYS 48 HB2 LYS 48 3.319 11.057 -0.948 380 HB3 LYS 48 HB3 LYS 48 2.698 12.626 -1.425 381 HG2 LYS 48 HG2 LYS 48 0.849 10.805 0.115 382 HG3 LYS 48 HG3 LYS 48 2.211 11.544 0.949 383 HD2 LYS 48 HD2 LYS 48 0.253 12.885 1.278 384 HD3 LYS 48 HD3 LYS 48 1.448 13.786 0.340 385 HE2 LYS 48 HE2 LYS 48 0.195 13.320 -1.738 386 HE3 LYS 48 HE3 LYS 48 -0.969 12.337 -0.833 387 HZ1 LYS 48 HZ1 LYS 48 -0.512 15.248 -0.426 388 HZ2 LYS 48 HZ2 LYS 48 -1.591 14.345 0.405 389 HZ3 LYS 48 HZ3 LYS 48 -1.795 14.596 -1.193 390 H GLY 49 H GLY 49 1.618 9.556 -4.548 391 HA2 GLY 49 HA2 GLY 49 2.405 9.710 -6.715 392 HA3 GLY 49 HA3 GLY 49 3.061 11.308 -6.370 393 H ARG 50 H ARG 50 4.279 9.040 -4.107 394 HA ARG 50 HA ARG 50 6.701 8.413 -5.766 395 HB2 ARG 50 HB2 ARG 50 6.605 9.147 -2.806 396 HB3 ARG 50 HB3 ARG 50 8.021 8.538 -3.667 397 HG2 ARG 50 HG2 ARG 50 7.731 10.534 -5.273 398 HG3 ARG 50 HG3 ARG 50 6.628 11.209 -4.066 399 HD2 ARG 50 HD2 ARG 50 9.532 10.396 -3.614 400 HD3 ARG 50 HD3 ARG 50 8.962 12.053 -3.856 401 HE ARG 50 HE ARG 50 7.481 11.272 -1.699 402 HH11 ARG 50 HH11 ARG 50 10.945 11.188 -2.247 403 HH12 ARG 50 HH12 ARG 50 11.308 11.372 -0.553 404 HH21 ARG 50 HH21 ARG 50 8.026 11.515 0.450 405 HH22 ARG 50 HH22 ARG 50 9.699 11.559 0.920 406 H ALA 51 H ALA 51 7.872 6.538 -5.189 407 HA ALA 51 HA ALA 51 6.283 4.266 -4.167 408 HB1 ALA 51 HB1 ALA 51 7.743 3.918 -6.105 409 HB2 ALA 51 HB2 ALA 51 9.151 4.496 -5.184 410 HB3 ALA 51 HB3 ALA 51 8.345 2.990 -4.714 411 H LEU 52 H LEU 52 6.292 3.670 -2.063 412 HA LEU 52 HA LEU 52 8.113 4.858 -0.080 413 HB2 LEU 52 HB2 LEU 52 5.885 2.798 0.003 414 HB3 LEU 52 HB3 LEU 52 6.920 3.076 1.392 415 HG LEU 52 HG LEU 52 5.398 5.362 0.101 416 HD11 LEU 52 HD11 LEU 52 3.702 5.044 1.881 417 HD12 LEU 52 HD12 LEU 52 4.517 3.549 2.391 418 HD13 LEU 52 HD13 LEU 52 3.762 3.655 0.784 419 HD21 LEU 52 HD21 LEU 52 6.549 4.936 2.897 420 HD22 LEU 52 HD22 LEU 52 5.673 6.374 2.352 421 HD23 LEU 52 HD23 LEU 52 7.245 5.989 1.643 422 H LYS 53 H LYS 53 9.898 3.969 0.778 423 HA LYS 53 HA LYS 53 10.420 1.149 0.840 424 HB2 LYS 53 HB2 LYS 53 11.252 2.141 -1.569 425 HB3 LYS 53 HB3 LYS 53 12.638 2.595 -0.606 426 HG2 LYS 53 HG2 LYS 53 13.188 0.477 -1.485 427 HG3 LYS 53 HG3 LYS 53 12.761 0.157 0.184 428 HD2 LYS 53 HD2 LYS 53 11.780 -1.570 -1.197 429 HD3 LYS 53 HD3 LYS 53 10.479 -0.583 -0.553 430 HE2 LYS 53 HE2 LYS 53 9.971 -1.069 -2.841 431 HE3 LYS 53 HE3 LYS 53 10.339 0.649 -2.722 432 HZ1 LYS 53 HZ1 LYS 53 11.444 -0.386 -4.636 433 HZ2 LYS 53 HZ2 LYS 53 12.232 -1.443 -3.678 434 HZ3 LYS 53 HZ3 LYS 53 12.576 0.151 -3.595 435 H ASP 54 H ASP 54 11.879 0.618 2.398 436 HA ASP 54 HA ASP 54 13.125 0.764 4.251 437 HB2 ASP 54 HB2 ASP 54 14.682 1.244 2.306 438 HB3 ASP 54 HB3 ASP 54 14.656 2.936 2.795 439 H THR 55 H THR 55 10.815 2.741 4.214 440 HA THR 55 HA THR 55 11.519 5.033 5.757 441 HB THR 55 HB THR 55 8.837 3.611 5.611 442 HG1 THR 55 HG1 THR 55 8.501 5.049 3.852 443 HG21 THR 55 HG21 THR 55 8.728 5.399 7.233 444 HG22 THR 55 HG22 THR 55 7.926 5.951 5.763 445 HG23 THR 55 HG23 THR 55 9.573 6.511 6.139 446 H GLU 56 H GLU 56 10.881 1.771 6.696 447 HA GLU 56 HA GLU 56 10.749 0.579 8.546 448 HB2 GLU 56 HB2 GLU 56 12.926 1.922 8.972 449 HB3 GLU 56 HB3 GLU 56 11.993 2.718 10.249 450 HG2 GLU 56 HG2 GLU 56 11.518 0.501 11.267 451 HG3 GLU 56 HG3 GLU 56 12.340 -0.298 9.922 452 H THR 57 H THR 57 9.809 3.893 9.650 453 HA THR 57 HA THR 57 7.097 2.872 10.168 454 HB THR 57 HB THR 57 6.821 3.859 12.338 455 HG1 THR 57 HG1 THR 57 8.649 4.577 13.514 456 HG21 THR 57 HG21 THR 57 8.086 2.388 13.777 457 HG22 THR 57 HG22 THR 57 9.263 2.058 12.490 458 HG23 THR 57 HG23 THR 57 7.580 1.504 12.328 459 H LEU 58 H LEU 58 5.494 4.402 9.887 460 HA LEU 58 HA LEU 58 6.171 6.897 8.570 461 HB2 LEU 58 HB2 LEU 58 3.573 5.824 9.737 462 HB3 LEU 58 HB3 LEU 58 3.689 7.342 8.851 463 HG LEU 58 HG LEU 58 4.424 4.627 7.664 464 HD11 LEU 58 HD11 LEU 58 2.296 4.813 6.447 465 HD12 LEU 58 HD12 LEU 58 1.915 6.319 7.312 466 HD13 LEU 58 HD13 LEU 58 2.018 4.781 8.196 467 HD21 LEU 58 HD21 LEU 58 4.268 5.848 5.498 468 HD22 LEU 58 HD22 LEU 58 5.561 6.494 6.511 469 HD23 LEU 58 HD23 LEU 58 4.021 7.371 6.380 470 H GLU 59 H GLU 59 5.568 6.069 11.961 471 HA GLU 59 HA GLU 59 5.146 8.734 12.899 472 HB2 GLU 59 HB2 GLU 59 4.679 6.501 14.062 473 HB3 GLU 59 HB3 GLU 59 6.398 6.488 14.500 474 HG2 GLU 59 HG2 GLU 59 6.069 8.718 15.621 475 HG3 GLU 59 HG3 GLU 59 4.360 8.659 15.184 476 H SER 60 H SER 60 8.156 7.079 12.076 477 HA SER 60 HA SER 60 9.988 8.892 13.332 478 HB2 SER 60 HB2 SER 60 10.608 6.687 12.419 479 HB3 SER 60 HB3 SER 60 10.289 7.272 10.775 480 HG SER 60 HG SER 60 12.524 7.379 11.387 481 H LEU 61 H LEU 61 8.283 9.045 10.207 482 HA LEU 61 HA LEU 61 9.480 11.680 9.537 483 HB2 LEU 61 HB2 LEU 61 7.476 9.987 8.004 484 HB3 LEU 61 HB3 LEU 61 8.297 11.431 7.422 485 HG LEU 61 HG LEU 61 9.572 8.727 8.019 486 HD11 LEU 61 HD11 LEU 61 9.231 10.338 5.451 487 HD12 LEU 61 HD12 LEU 61 8.314 8.885 5.906 488 HD13 LEU 61 HD13 LEU 61 10.056 8.774 5.598 489 HD21 LEU 61 HD21 LEU 61 11.668 9.711 7.110 490 HD22 LEU 61 HD22 LEU 61 11.201 10.459 8.636 491 HD23 LEU 61 HD23 LEU 61 10.905 11.317 7.106 492 H GLY 62 H GLY 62 6.812 10.548 11.256 493 HA2 GLY 62 HA2 GLY 62 5.239 11.896 12.430 494 HA3 GLY 62 HA3 GLY 62 5.380 13.162 11.217 495 H VAL 63 H VAL 63 3.376 10.830 12.357 496 HA VAL 63 HA VAL 63 2.093 9.872 9.910 497 HB VAL 63 HB VAL 63 1.335 9.769 12.849 498 HG11 VAL 63 HG11 VAL 63 -0.441 8.144 12.225 499 HG12 VAL 63 HG12 VAL 63 -0.803 9.773 11.665 500 HG13 VAL 63 HG13 VAL 63 -0.203 8.551 10.513 501 HG21 VAL 63 HG21 VAL 63 3.184 8.286 12.075 502 HG22 VAL 63 HG22 VAL 63 1.773 7.370 12.601 503 HG23 VAL 63 HG23 VAL 63 2.099 7.579 10.867 504 H ALA 64 H ALA 64 0.217 10.550 8.978 505 HA ALA 64 HA ALA 64 -1.277 12.845 10.126 506 HB1 ALA 64 HB1 ALA 64 -1.694 13.686 7.844 507 HB2 ALA 64 HB2 ALA 64 0.036 13.713 8.237 508 HB3 ALA 64 HB3 ALA 64 -0.615 12.442 7.180 509 H ASP 65 H ASP 65 -3.583 12.811 9.561 510 HA ASP 65 HA ASP 65 -4.581 10.028 9.430 511 HB2 ASP 65 HB2 ASP 65 -5.311 11.726 11.196 512 HB3 ASP 65 HB3 ASP 65 -6.223 12.530 9.916 513 H GLY 66 H GLY 66 -6.101 9.248 7.939 514 HA2 GLY 66 HA2 GLY 66 -7.337 9.139 6.002 515 HA3 GLY 66 HA3 GLY 66 -7.224 10.892 5.827 516 H ASP 67 H ASP 67 -4.321 8.871 6.038 517 HA ASP 67 HA ASP 67 -3.245 9.771 3.524 518 HB2 ASP 67 HB2 ASP 67 -2.473 7.446 5.321 519 HB3 ASP 67 HB3 ASP 67 -1.582 7.907 3.879 520 H LYS 68 H LYS 68 -3.133 8.850 1.512 521 HA LYS 68 HA LYS 68 -4.912 6.505 1.038 522 HB2 LYS 68 HB2 LYS 68 -4.585 8.903 -0.782 523 HB3 LYS 68 HB3 LYS 68 -5.585 7.470 -1.077 524 HG2 LYS 68 HG2 LYS 68 -6.787 8.020 1.129 525 HG3 LYS 68 HG3 LYS 68 -5.965 9.579 1.085 526 HD2 LYS 68 HD2 LYS 68 -7.854 8.503 -1.053 527 HD3 LYS 68 HD3 LYS 68 -8.259 9.692 0.195 528 HE2 LYS 68 HE2 LYS 68 -6.493 11.219 -0.714 529 HE3 LYS 68 HE3 LYS 68 -6.176 10.055 -2.008 530 HZ1 LYS 68 HZ1 LYS 68 -8.490 10.351 -2.741 531 HZ2 LYS 68 HZ2 LYS 68 -7.711 11.784 -2.741 532 HZ3 LYS 68 HZ3 LYS 68 -8.770 11.437 -1.550 533 H PHE 69 H PHE 69 -4.316 4.897 -0.172 534 HA PHE 69 HA PHE 69 -1.554 4.896 -1.354 535 HB2 PHE 69 HB2 PHE 69 -2.988 2.611 0.038 536 HB3 PHE 69 HB3 PHE 69 -1.343 2.616 -0.573 537 HD1 PHE 69 HD1 PHE 69 -0.355 5.268 0.540 538 HD2 PHE 69 HD2 PHE 69 -2.628 2.060 2.305 539 HE1 PHE 69 HE1 PHE 69 0.543 5.861 2.777 540 HE2 PHE 69 HE2 PHE 69 -1.705 2.647 4.536 541 HZ PHE 69 HZ PHE 69 -0.138 4.558 4.777 542 H VAL 70 H VAL 70 -1.302 3.987 -3.376 543 HA VAL 70 HA VAL 70 -3.782 2.906 -4.698 544 HB VAL 70 HB VAL 70 -1.579 4.545 -5.984 545 HG11 VAL 70 HG11 VAL 70 -2.584 2.929 -7.563 546 HG12 VAL 70 HG12 VAL 70 -4.212 3.467 -7.096 547 HG13 VAL 70 HG13 VAL 70 -3.105 4.571 -7.941 548 HG21 VAL 70 HG21 VAL 70 -4.457 5.280 -5.285 549 HG22 VAL 70 HG22 VAL 70 -2.988 5.978 -4.569 550 HG23 VAL 70 HG23 VAL 70 -3.354 6.263 -6.270 551 H LEU 71 H LEU 71 -3.690 0.898 -5.398 552 HA LEU 71 HA LEU 71 -1.051 -0.478 -5.628 553 HB2 LEU 71 HB2 LEU 71 -3.299 -1.316 -4.266 554 HB3 LEU 71 HB3 LEU 71 -3.578 -2.030 -5.855 555 HG LEU 71 HG LEU 71 -1.152 -2.939 -5.679 556 HD11 LEU 71 HD11 LEU 71 -0.597 -1.584 -3.651 557 HD12 LEU 71 HD12 LEU 71 -0.368 -3.304 -3.402 558 HD13 LEU 71 HD13 LEU 71 -1.801 -2.500 -2.724 559 HD21 LEU 71 HD21 LEU 71 -1.980 -4.920 -4.447 560 HD22 LEU 71 HD22 LEU 71 -3.153 -4.354 -5.642 561 HD23 LEU 71 HD23 LEU 71 -3.404 -3.998 -3.917 562 H ILE 72 H ILE 72 -0.329 -1.213 -7.558 563 HA ILE 72 HA ILE 72 -2.134 -1.085 -9.951 564 HB ILE 72 HB ILE 72 0.797 -0.279 -9.895 565 HG12 ILE 72 HG12 ILE 72 -0.517 1.949 -10.769 566 HG13 ILE 72 HG13 ILE 72 -1.735 1.340 -9.662 567 HG21 ILE 72 HG21 ILE 72 0.368 0.411 -12.233 568 HG22 ILE 72 HG22 ILE 72 0.119 -1.318 -12.025 569 HG23 ILE 72 HG23 ILE 72 -1.285 -0.231 -12.125 570 HD11 ILE 72 HD11 ILE 72 -0.224 2.951 -8.566 571 HD12 ILE 72 HD12 ILE 72 0.016 1.354 -7.835 572 HD13 ILE 72 HD13 ILE 72 1.189 1.976 -9.012 573 H THR 73 H THR 73 -2.498 -3.070 -10.583 574 HA THR 73 HA THR 73 -0.412 -5.187 -10.468 575 HB THR 73 HB THR 73 -2.602 -5.792 -9.621 576 HG1 THR 73 HG1 THR 73 -2.325 -7.124 -12.084 577 HG21 THR 73 HG21 THR 73 -3.657 -5.282 -12.440 578 HG22 THR 73 HG22 THR 73 -4.118 -4.415 -10.960 579 HG23 THR 73 HG23 THR 73 -4.524 -6.125 -11.145 580 H ARG 74 H ARG 74 0.253 -6.301 -12.326 581 HA ARG 74 HA ARG 74 -0.422 -5.109 -15.000 582 HB2 ARG 74 HB2 ARG 74 1.790 -4.403 -14.446 583 HB3 ARG 74 HB3 ARG 74 2.280 -6.031 -13.964 584 HG2 ARG 74 HG2 ARG 74 2.227 -6.843 -16.207 585 HG3 ARG 74 HG3 ARG 74 1.363 -5.422 -16.810 586 HD2 ARG 74 HD2 ARG 74 4.137 -5.244 -15.576 587 HD3 ARG 74 HD3 ARG 74 3.884 -5.599 -17.294 588 HE ARG 74 HE ARG 74 2.360 -3.339 -16.905 589 HH11 ARG 74 HH11 ARG 74 5.763 -3.991 -16.384 590 HH12 ARG 74 HH12 ARG 74 6.225 -2.353 -16.761 591 HH21 ARG 74 HH21 ARG 74 3.019 -1.280 -17.394 592 HH22 ARG 74 HH22 ARG 74 4.707 -0.865 -17.321 593 H THR 75 H THR 75 -1.422 -6.411 -16.282 594 HA THR 75 HA THR 75 -1.719 -9.279 -15.819 595 HB THR 75 HB THR 75 -3.102 -9.149 -17.913 596 HG1 THR 75 HG1 THR 75 -3.566 -7.096 -18.706 597 HG21 THR 75 HG21 THR 75 -4.139 -8.848 -15.692 598 HG22 THR 75 HG22 THR 75 -4.941 -7.869 -16.929 599 HG23 THR 75 HG23 THR 75 -3.831 -7.098 -15.774 600 H VAL 76 H VAL 76 -1.365 -10.885 -17.488 601 HA VAL 76 HA VAL 76 1.336 -10.845 -18.520 602 HB VAL 76 HB VAL 76 -0.943 -12.818 -18.942 603 HG11 VAL 76 HG11 VAL 76 0.734 -13.185 -20.691 604 HG12 VAL 76 HG12 VAL 76 2.041 -13.148 -19.482 605 HG13 VAL 76 HG13 VAL 76 0.846 -14.464 -19.484 606 HG21 VAL 76 HG21 VAL 76 1.414 -12.845 -16.999 607 HG22 VAL 76 HG22 VAL 76 -0.293 -12.617 -16.564 608 HG23 VAL 76 HG23 VAL 76 0.241 -14.162 -17.222 609 H GLY 77 H GLY 77 -1.833 -10.334 -20.022 610 HA2 GLY 77 HA2 GLY 77 -0.818 -8.925 -22.304 611 HA3 GLY 77 HA3 GLY 77 -1.226 -10.581 -22.760 Start of MODEL 13 1 HA MET 1 HA MET 1 -5.402 6.900 12.186 2 HB2 MET 1 HB2 MET 1 -3.263 4.745 12.440 3 HB3 MET 1 HB3 MET 1 -3.376 5.897 11.107 4 HG2 MET 1 HG2 MET 1 -3.076 7.776 12.635 5 HG3 MET 1 HG3 MET 1 -3.022 6.679 14.020 6 HE1 MET 1 HE1 MET 1 -0.779 7.744 14.850 7 HE2 MET 1 HE2 MET 1 0.677 7.917 13.843 8 HE3 MET 1 HE3 MET 1 -0.778 8.870 13.471 9 H LYS 2 H LYS 2 -6.501 6.625 10.365 10 HA LYS 2 HA LYS 2 -6.953 3.856 9.290 11 HB2 LYS 2 HB2 LYS 2 -8.755 6.297 9.200 12 HB3 LYS 2 HB3 LYS 2 -8.952 4.909 8.120 13 HG2 LYS 2 HG2 LYS 2 -9.172 3.398 10.057 14 HG3 LYS 2 HG3 LYS 2 -9.080 4.768 11.164 15 HD2 LYS 2 HD2 LYS 2 -11.241 4.472 9.016 16 HD3 LYS 2 HD3 LYS 2 -11.371 3.808 10.636 17 HE2 LYS 2 HE2 LYS 2 -12.550 5.782 10.816 18 HE3 LYS 2 HE3 LYS 2 -10.998 6.151 11.564 19 HZ1 LYS 2 HZ1 LYS 2 -10.365 7.305 9.513 20 HZ2 LYS 2 HZ2 LYS 2 -11.779 7.908 10.050 21 HZ3 LYS 2 HZ3 LYS 2 -11.771 6.884 8.780 22 H ILE 3 H ILE 3 -6.767 3.517 7.148 23 HA ILE 3 HA ILE 3 -5.721 5.684 5.417 24 HB ILE 3 HB ILE 3 -4.104 4.232 4.365 25 HG12 ILE 3 HG12 ILE 3 -3.384 2.127 5.772 26 HG13 ILE 3 HG13 ILE 3 -5.055 2.100 6.309 27 HG21 ILE 3 HG21 ILE 3 -3.468 5.684 6.272 28 HG22 ILE 3 HG22 ILE 3 -3.655 4.303 7.368 29 HG23 ILE 3 HG23 ILE 3 -2.420 4.268 6.099 30 HD11 ILE 3 HD11 ILE 3 -4.140 2.022 3.389 31 HD12 ILE 3 HD12 ILE 3 -4.550 0.601 4.368 32 HD13 ILE 3 HD13 ILE 3 -5.800 1.778 3.968 33 H LYS 4 H LYS 4 -6.164 5.428 3.203 34 HA LYS 4 HA LYS 4 -8.462 3.608 2.600 35 HB2 LYS 4 HB2 LYS 4 -8.738 6.196 2.849 36 HB3 LYS 4 HB3 LYS 4 -8.040 6.268 1.230 37 HG2 LYS 4 HG2 LYS 4 -9.853 4.695 0.448 38 HG3 LYS 4 HG3 LYS 4 -10.503 4.684 2.099 39 HD2 LYS 4 HD2 LYS 4 -10.627 7.267 1.885 40 HD3 LYS 4 HD3 LYS 4 -10.388 7.016 0.148 41 HE2 LYS 4 HE2 LYS 4 -12.428 5.589 0.084 42 HE3 LYS 4 HE3 LYS 4 -12.603 5.756 1.834 43 HZ1 LYS 4 HZ1 LYS 4 -14.040 7.313 0.659 44 HZ2 LYS 4 HZ2 LYS 4 -12.771 8.008 -0.096 45 HZ3 LYS 4 HZ3 LYS 4 -12.934 8.135 1.528 46 H ILE 5 H ILE 5 -7.456 1.901 1.648 47 HA ILE 5 HA ILE 5 -5.366 2.365 -0.381 48 HB ILE 5 HB ILE 5 -5.062 0.574 1.224 49 HG12 ILE 5 HG12 ILE 5 -5.343 -0.600 -1.572 50 HG13 ILE 5 HG13 ILE 5 -4.124 0.607 -1.159 51 HG21 ILE 5 HG21 ILE 5 -7.378 -0.870 -0.146 52 HG22 ILE 5 HG22 ILE 5 -6.331 -1.520 1.129 53 HG23 ILE 5 HG23 ILE 5 -7.422 -0.184 1.490 54 HD11 ILE 5 HD11 ILE 5 -4.359 -2.147 0.107 55 HD12 ILE 5 HD12 ILE 5 -3.138 -1.599 -1.050 56 HD13 ILE 5 HD13 ILE 5 -3.185 -0.890 0.575 57 H VAL 6 H VAL 6 -5.558 2.120 -2.538 58 HA VAL 6 HA VAL 6 -8.285 1.689 -3.699 59 HB VAL 6 HB VAL 6 -6.330 3.784 -4.687 60 HG11 VAL 6 HG11 VAL 6 -8.351 4.670 -5.772 61 HG12 VAL 6 HG12 VAL 6 -8.098 2.988 -6.253 62 HG13 VAL 6 HG13 VAL 6 -9.337 3.386 -5.042 63 HG21 VAL 6 HG21 VAL 6 -8.508 4.114 -2.611 64 HG22 VAL 6 HG22 VAL 6 -6.800 4.560 -2.491 65 HG23 VAL 6 HG23 VAL 6 -7.857 5.457 -3.581 66 HA PRO 7 HA PRO 7 -5.316 -0.943 -5.946 67 HB2 PRO 7 HB2 PRO 7 -6.597 -3.346 -5.873 68 HB3 PRO 7 HB3 PRO 7 -5.702 -2.696 -4.464 69 HG2 PRO 7 HG2 PRO 7 -8.686 -2.548 -5.001 70 HG3 PRO 7 HG3 PRO 7 -7.857 -3.035 -3.491 71 HD2 PRO 7 HD2 PRO 7 -8.812 -0.492 -3.925 72 HD3 PRO 7 HD3 PRO 7 -7.363 -0.818 -2.934 73 H ALA 8 H ALA 8 -5.195 -1.075 -8.093 74 HA ALA 8 HA ALA 8 -7.463 -0.638 -9.831 75 HB1 ALA 8 HB1 ALA 8 -5.195 0.261 -10.239 76 HB2 ALA 8 HB2 ALA 8 -4.573 -1.395 -10.436 77 HB3 ALA 8 HB3 ALA 8 -5.755 -0.738 -11.591 78 H VAL 9 H VAL 9 -8.085 -2.921 -8.355 79 HA VAL 9 HA VAL 9 -8.052 -5.161 -10.326 80 HB VAL 9 HB VAL 9 -7.269 -5.448 -7.399 81 HG11 VAL 9 HG11 VAL 9 -6.729 -7.815 -8.053 82 HG12 VAL 9 HG12 VAL 9 -8.451 -7.457 -8.116 83 HG13 VAL 9 HG13 VAL 9 -7.499 -7.524 -9.621 84 HG21 VAL 9 HG21 VAL 9 -5.591 -5.759 -9.920 85 HG22 VAL 9 HG22 VAL 9 -5.383 -4.521 -8.659 86 HG23 VAL 9 HG23 VAL 9 -5.067 -6.214 -8.286 87 H GLY 10 H GLY 10 -9.837 -6.529 -10.239 88 HA2 GLY 10 HA2 GLY 10 -11.981 -7.241 -9.769 89 HA3 GLY 10 HA3 GLY 10 -11.706 -6.715 -8.109 90 H GLY 11 H GLY 11 -13.185 -5.295 -7.422 91 HA2 GLY 11 HA2 GLY 11 -14.989 -3.810 -9.115 92 HA3 GLY 11 HA3 GLY 11 -14.799 -3.656 -7.368 93 H GLY 12 H GLY 12 -11.747 -3.060 -8.102 94 HA2 GLY 12 HA2 GLY 12 -10.407 -1.265 -8.538 95 HA3 GLY 12 HA3 GLY 12 -11.674 -0.631 -9.580 96 H SER 13 H SER 13 -12.813 -1.004 -6.399 97 HA SER 13 HA SER 13 -13.049 1.914 -6.148 98 HB2 SER 13 HB2 SER 13 -14.368 -0.400 -4.680 99 HB3 SER 13 HB3 SER 13 -14.707 1.306 -4.355 100 HG SER 13 HG SER 13 -15.042 -0.029 -6.863 101 HA PRO 14 HA PRO 14 -10.274 2.386 -2.653 102 HB2 PRO 14 HB2 PRO 14 -11.429 4.427 -1.265 103 HB3 PRO 14 HB3 PRO 14 -10.652 4.677 -2.855 104 HG2 PRO 14 HG2 PRO 14 -13.603 4.249 -2.304 105 HG3 PRO 14 HG3 PRO 14 -12.831 5.551 -3.270 106 HD2 PRO 14 HD2 PRO 14 -13.816 3.342 -4.463 107 HD3 PRO 14 HD3 PRO 14 -12.272 4.048 -5.018 108 H LEU 15 H LEU 15 -10.071 1.790 -0.483 109 HA LEU 15 HA LEU 15 -12.476 0.909 1.045 110 HB2 LEU 15 HB2 LEU 15 -11.602 -1.038 -0.135 111 HB3 LEU 15 HB3 LEU 15 -9.967 -0.684 0.420 112 HG LEU 15 HG LEU 15 -10.660 -1.141 2.774 113 HD11 LEU 15 HD11 LEU 15 -13.302 -1.989 1.499 114 HD12 LEU 15 HD12 LEU 15 -13.073 -0.649 2.646 115 HD13 LEU 15 HD13 LEU 15 -12.813 -2.309 3.179 116 HD21 LEU 15 HD21 LEU 15 -11.285 -3.378 0.809 117 HD22 LEU 15 HD22 LEU 15 -10.850 -3.572 2.523 118 HD23 LEU 15 HD23 LEU 15 -9.668 -2.908 1.382 119 H GLU 16 H GLU 16 -12.507 1.890 2.936 120 HA GLU 16 HA GLU 16 -10.211 3.049 4.315 121 HB2 GLU 16 HB2 GLU 16 -13.061 2.415 5.158 122 HB3 GLU 16 HB3 GLU 16 -11.910 3.210 6.213 123 HG2 GLU 16 HG2 GLU 16 -12.739 4.323 3.493 124 HG3 GLU 16 HG3 GLU 16 -13.592 4.674 4.989 125 H LEU 17 H LEU 17 -8.915 2.137 5.843 126 HA LEU 17 HA LEU 17 -9.794 -0.233 7.352 127 HB2 LEU 17 HB2 LEU 17 -8.492 -0.869 5.131 128 HB3 LEU 17 HB3 LEU 17 -7.083 -0.276 5.998 129 HG LEU 17 HG LEU 17 -7.769 -1.944 7.884 130 HD11 LEU 17 HD11 LEU 17 -10.074 -2.412 7.055 131 HD12 LEU 17 HD12 LEU 17 -9.097 -3.885 7.125 132 HD13 LEU 17 HD13 LEU 17 -9.394 -3.089 5.564 133 HD21 LEU 17 HD21 LEU 17 -5.844 -2.317 6.410 134 HD22 LEU 17 HD22 LEU 17 -6.908 -3.003 5.159 135 HD23 LEU 17 HD23 LEU 17 -6.697 -3.838 6.717 136 H GLU 18 H GLU 18 -9.020 -0.264 9.426 137 HA GLU 18 HA GLU 18 -7.380 1.956 10.420 138 HB2 GLU 18 HB2 GLU 18 -9.280 1.092 11.698 139 HB3 GLU 18 HB3 GLU 18 -8.505 -0.497 11.815 140 HG2 GLU 18 HG2 GLU 18 -6.708 0.417 13.182 141 HG3 GLU 18 HG3 GLU 18 -7.255 2.069 12.869 142 H VAL 19 H VAL 19 -5.271 1.871 11.191 143 HA VAL 19 HA VAL 19 -3.751 -0.656 11.013 144 HB VAL 19 HB VAL 19 -3.718 0.377 8.740 145 HG11 VAL 19 HG11 VAL 19 -2.344 2.325 8.282 146 HG12 VAL 19 HG12 VAL 19 -3.649 2.778 9.392 147 HG13 VAL 19 HG13 VAL 19 -1.995 2.552 10.004 148 HG21 VAL 19 HG21 VAL 19 -1.929 -1.148 9.516 149 HG22 VAL 19 HG22 VAL 19 -1.359 0.050 8.345 150 HG23 VAL 19 HG23 VAL 19 -0.987 0.260 10.062 151 H ALA 20 H ALA 20 -1.825 -0.711 12.184 152 HA ALA 20 HA ALA 20 -1.686 1.021 14.487 153 HB1 ALA 20 HB1 ALA 20 0.252 -0.416 15.070 154 HB2 ALA 20 HB2 ALA 20 -1.142 -1.383 14.562 155 HB3 ALA 20 HB3 ALA 20 0.218 -1.126 13.443 156 HA PRO 21 HA PRO 21 1.185 4.124 12.965 157 HB2 PRO 21 HB2 PRO 21 2.587 4.794 15.227 158 HB3 PRO 21 HB3 PRO 21 0.881 5.254 14.949 159 HG2 PRO 21 HG2 PRO 21 1.933 2.889 16.535 160 HG3 PRO 21 HG3 PRO 21 0.707 4.099 17.033 161 HD2 PRO 21 HD2 PRO 21 -0.024 1.696 16.030 162 HD3 PRO 21 HD3 PRO 21 -0.925 3.175 15.586 163 H ASN 22 H ASN 22 2.421 1.285 14.667 164 HA ASN 22 HA ASN 22 5.174 1.593 13.831 165 HB2 ASN 22 HB2 ASN 22 4.278 0.468 15.956 166 HB3 ASN 22 HB3 ASN 22 3.819 -0.897 14.936 167 HD21 ASN 22 HD21 ASN 22 5.368 -2.513 15.068 168 HD22 ASN 22 HD22 ASN 22 7.088 -2.213 15.259 169 H ALA 23 H ALA 23 2.861 1.237 11.702 170 HA ALA 23 HA ALA 23 3.342 -1.212 10.326 171 HB1 ALA 23 HB1 ALA 23 1.320 0.099 10.034 172 HB2 ALA 23 HB2 ALA 23 2.245 1.453 9.348 173 HB3 ALA 23 HB3 ALA 23 2.142 -0.091 8.475 174 H THR 24 H THR 24 5.425 -1.707 9.917 175 HA THR 24 HA THR 24 7.262 0.007 8.428 176 HB THR 24 HB THR 24 8.181 -1.669 9.917 177 HG1 THR 24 HG1 THR 24 9.538 -1.348 8.289 178 HG21 THR 24 HG21 THR 24 6.452 -3.461 9.750 179 HG22 THR 24 HG22 THR 24 8.093 -4.059 9.461 180 HG23 THR 24 HG23 THR 24 6.999 -3.801 8.093 181 H VAL 25 H VAL 25 7.861 -0.192 6.256 182 HA VAL 25 HA VAL 25 5.825 -0.692 4.335 183 HB VAL 25 HB VAL 25 7.547 -0.470 2.639 184 HG11 VAL 25 HG11 VAL 25 6.727 1.562 3.881 185 HG12 VAL 25 HG12 VAL 25 8.166 1.450 4.903 186 HG13 VAL 25 HG13 VAL 25 8.339 1.743 3.165 187 HG21 VAL 25 HG21 VAL 25 9.930 -0.145 3.232 188 HG22 VAL 25 HG22 VAL 25 9.595 -0.603 4.906 189 HG23 VAL 25 HG23 VAL 25 9.406 -1.782 3.592 190 H GLY 26 H GLY 26 8.246 -2.903 5.686 191 HA2 GLY 26 HA2 GLY 26 8.146 -4.940 3.695 192 HA3 GLY 26 HA3 GLY 26 8.588 -5.164 5.395 193 H ALA 27 H ALA 27 6.139 -4.468 6.630 194 HA ALA 27 HA ALA 27 4.624 -6.902 6.375 195 HB1 ALA 27 HB1 ALA 27 3.154 -5.821 8.045 196 HB2 ALA 27 HB2 ALA 27 4.863 -5.659 8.492 197 HB3 ALA 27 HB3 ALA 27 3.989 -4.273 7.798 198 H VAL 28 H VAL 28 3.981 -3.524 5.338 199 HA VAL 28 HA VAL 28 1.401 -4.003 4.182 200 HB VAL 28 HB VAL 28 3.464 -1.871 3.492 201 HG11 VAL 28 HG11 VAL 28 0.473 -1.976 2.898 202 HG12 VAL 28 HG12 VAL 28 1.527 -0.567 2.651 203 HG13 VAL 28 HG13 VAL 28 1.782 -2.029 1.698 204 HG21 VAL 28 HG21 VAL 28 1.069 -1.798 5.382 205 HG22 VAL 28 HG22 VAL 28 2.778 -1.775 5.866 206 HG23 VAL 28 HG23 VAL 28 2.106 -0.417 4.963 207 H ARG 29 H ARG 29 4.643 -3.915 2.643 208 HA ARG 29 HA ARG 29 3.710 -4.547 0.006 209 HB2 ARG 29 HB2 ARG 29 5.842 -3.387 0.855 210 HB3 ARG 29 HB3 ARG 29 6.522 -4.992 1.089 211 HG2 ARG 29 HG2 ARG 29 5.456 -3.876 -1.559 212 HG3 ARG 29 HG3 ARG 29 7.116 -3.723 -0.999 213 HD2 ARG 29 HD2 ARG 29 7.009 -6.370 -0.836 214 HD3 ARG 29 HD3 ARG 29 5.688 -6.175 -1.990 215 HE ARG 29 HE ARG 29 7.201 -5.060 -3.529 216 HH11 ARG 29 HH11 ARG 29 8.905 -6.661 -0.910 217 HH12 ARG 29 HH12 ARG 29 10.451 -6.466 -1.684 218 HH21 ARG 29 HH21 ARG 29 9.224 -4.788 -4.414 219 HH22 ARG 29 HH22 ARG 29 10.615 -5.455 -3.617 220 H THR 30 H THR 30 4.892 -6.657 2.637 221 HA THR 30 HA THR 30 4.750 -9.121 1.127 222 HB THR 30 HB THR 30 4.518 -8.665 4.125 223 HG1 THR 30 HG1 THR 30 6.479 -8.064 3.445 224 HG21 THR 30 HG21 THR 30 5.266 -11.043 4.288 225 HG22 THR 30 HG22 THR 30 5.022 -11.219 2.535 226 HG23 THR 30 HG23 THR 30 3.642 -10.894 3.610 227 H LYS 31 H LYS 31 2.329 -7.485 3.271 228 HA LYS 31 HA LYS 31 0.265 -9.431 2.835 229 HB2 LYS 31 HB2 LYS 31 0.255 -7.863 4.698 230 HB3 LYS 31 HB3 LYS 31 0.070 -6.487 3.603 231 HG2 LYS 31 HG2 LYS 31 -2.124 -7.175 2.932 232 HG3 LYS 31 HG3 LYS 31 -1.952 -8.768 3.669 233 HD2 LYS 31 HD2 LYS 31 -1.943 -6.164 5.254 234 HD3 LYS 31 HD3 LYS 31 -3.412 -7.072 4.917 235 HE2 LYS 31 HE2 LYS 31 -1.004 -8.220 6.405 236 HE3 LYS 31 HE3 LYS 31 -2.394 -7.475 7.192 237 HZ1 LYS 31 HZ1 LYS 31 -3.816 -9.177 6.192 238 HZ2 LYS 31 HZ2 LYS 31 -2.654 -9.873 7.095 239 HZ3 LYS 31 HZ3 LYS 31 -2.534 -9.894 5.471 240 H VAL 32 H VAL 32 1.040 -6.446 1.018 241 HA VAL 32 HA VAL 32 -0.993 -6.640 -0.972 242 HB VAL 32 HB VAL 32 1.776 -5.462 -0.857 243 HG11 VAL 32 HG11 VAL 32 1.728 -6.192 -3.178 244 HG12 VAL 32 HG12 VAL 32 0.102 -5.504 -3.390 245 HG13 VAL 32 HG13 VAL 32 1.514 -4.458 -3.083 246 HG21 VAL 32 HG21 VAL 32 -0.178 -4.312 0.177 247 HG22 VAL 32 HG22 VAL 32 0.539 -3.374 -1.140 248 HG23 VAL 32 HG23 VAL 32 -0.972 -4.268 -1.411 249 H CYS 33 H CYS 33 2.326 -8.079 -1.066 250 HA CYS 33 HA CYS 33 1.957 -9.443 -3.523 251 HB2 CYS 33 HB2 CYS 33 4.132 -8.989 -2.462 252 HB3 CYS 33 HB3 CYS 33 3.742 -10.108 -1.144 253 HG CYS 33 HG CYS 33 3.881 -10.802 -4.400 254 H ALA 34 H ALA 34 1.330 -10.643 -0.183 255 HA ALA 34 HA ALA 34 0.431 -13.243 -0.967 256 HB1 ALA 34 HB1 ALA 34 1.198 -12.645 1.300 257 HB2 ALA 34 HB2 ALA 34 -0.209 -11.575 1.508 258 HB3 ALA 34 HB3 ALA 34 -0.439 -13.329 1.339 259 H MET 35 H MET 35 -1.407 -10.197 -0.430 260 HA MET 35 HA MET 35 -4.016 -11.309 -0.771 261 HB2 MET 35 HB2 MET 35 -3.533 -9.163 0.360 262 HB3 MET 35 HB3 MET 35 -2.996 -8.470 -1.174 263 HG2 MET 35 HG2 MET 35 -5.173 -7.665 -0.812 264 HG3 MET 35 HG3 MET 35 -5.333 -8.870 -2.076 265 HE1 MET 35 HE1 MET 35 -6.252 -7.710 1.481 266 HE2 MET 35 HE2 MET 35 -7.465 -7.426 0.211 267 HE3 MET 35 HE3 MET 35 -7.837 -8.510 1.570 268 H LYS 36 H LYS 36 -1.830 -9.687 -3.133 269 HA LYS 36 HA LYS 36 -3.657 -10.160 -5.399 270 HB2 LYS 36 HB2 LYS 36 -0.721 -9.333 -5.333 271 HB3 LYS 36 HB3 LYS 36 -1.756 -9.336 -6.754 272 HG2 LYS 36 HG2 LYS 36 -1.966 -7.488 -4.348 273 HG3 LYS 36 HG3 LYS 36 -1.511 -7.103 -5.995 274 HD2 LYS 36 HD2 LYS 36 -3.651 -6.323 -6.015 275 HD3 LYS 36 HD3 LYS 36 -3.954 -7.968 -6.588 276 HE2 LYS 36 HE2 LYS 36 -4.514 -8.636 -4.230 277 HE3 LYS 36 HE3 LYS 36 -4.179 -6.986 -3.694 278 HZ1 LYS 36 HZ1 LYS 36 -6.024 -6.236 -5.115 279 HZ2 LYS 36 HZ2 LYS 36 -6.553 -7.330 -4.029 280 HZ3 LYS 36 HZ3 LYS 36 -6.339 -7.780 -5.579 281 H LYS 37 H LYS 37 -1.158 -11.989 -3.869 282 HA LYS 37 HA LYS 37 -0.150 -13.943 -4.205 283 HB2 LYS 37 HB2 LYS 37 -2.712 -14.571 -4.546 284 HB3 LYS 37 HB3 LYS 37 -2.182 -14.920 -6.190 285 HG2 LYS 37 HG2 LYS 37 -0.282 -16.334 -4.993 286 HG3 LYS 37 HG3 LYS 37 -1.274 -16.138 -3.554 287 HD2 LYS 37 HD2 LYS 37 -1.925 -18.233 -4.451 288 HD3 LYS 37 HD3 LYS 37 -3.224 -17.123 -4.880 289 HE2 LYS 37 HE2 LYS 37 -2.797 -18.467 -6.809 290 HE3 LYS 37 HE3 LYS 37 -2.165 -16.859 -7.167 291 HZ1 LYS 37 HZ1 LYS 37 -0.604 -18.620 -7.804 292 HZ2 LYS 37 HZ2 LYS 37 -0.523 -19.171 -6.271 293 HZ3 LYS 37 HZ3 LYS 37 0.066 -17.690 -6.648 294 H LEU 38 H LEU 38 0.629 -11.747 -5.848 295 HA LEU 38 HA LEU 38 1.977 -13.133 -8.100 296 HB2 LEU 38 HB2 LEU 38 0.126 -10.748 -8.266 297 HB3 LEU 38 HB3 LEU 38 1.579 -10.719 -9.228 298 HG LEU 38 HG LEU 38 0.801 -13.185 -9.956 299 HD11 LEU 38 HD11 LEU 38 -1.642 -13.251 -10.308 300 HD12 LEU 38 HD12 LEU 38 -1.829 -11.762 -9.354 301 HD13 LEU 38 HD13 LEU 38 -1.251 -13.256 -8.589 302 HD21 LEU 38 HD21 LEU 38 -0.295 -12.144 -11.915 303 HD22 LEU 38 HD22 LEU 38 1.232 -11.374 -11.478 304 HD23 LEU 38 HD23 LEU 38 -0.310 -10.582 -11.061 305 HA PRO 39 HA PRO 39 5.597 -11.423 -6.624 306 HB2 PRO 39 HB2 PRO 39 7.209 -11.090 -8.830 307 HB3 PRO 39 HB3 PRO 39 6.652 -12.685 -8.240 308 HG2 PRO 39 HG2 PRO 39 5.421 -10.971 -10.418 309 HG3 PRO 39 HG3 PRO 39 5.872 -12.705 -10.507 310 HD2 PRO 39 HD2 PRO 39 3.338 -11.949 -9.971 311 HD3 PRO 39 HD3 PRO 39 4.066 -13.339 -9.115 312 HA PRO 40 HA PRO 40 5.764 -7.032 -6.478 313 HB2 PRO 40 HB2 PRO 40 8.368 -6.474 -5.853 314 HB3 PRO 40 HB3 PRO 40 7.246 -7.324 -4.741 315 HG2 PRO 40 HG2 PRO 40 9.268 -8.571 -6.636 316 HG3 PRO 40 HG3 PRO 40 9.070 -8.875 -4.876 317 HD2 PRO 40 HD2 PRO 40 7.920 -10.500 -6.687 318 HD3 PRO 40 HD3 PRO 40 7.024 -10.028 -5.215 319 H ASP 41 H ASP 41 7.544 -8.553 -9.035 320 HA ASP 41 HA ASP 41 8.239 -6.080 -10.457 321 HB2 ASP 41 HB2 ASP 41 7.902 -8.948 -11.413 322 HB3 ASP 41 HB3 ASP 41 8.497 -7.615 -12.400 323 H THR 42 H THR 42 5.324 -7.924 -9.967 324 HA THR 42 HA THR 42 3.983 -6.715 -12.340 325 HB THR 42 HB THR 42 3.094 -9.074 -10.649 326 HG1 THR 42 HG1 THR 42 4.502 -8.985 -13.115 327 HG21 THR 42 HG21 THR 42 2.272 -8.078 -13.407 328 HG22 THR 42 HG22 THR 42 1.247 -8.144 -11.954 329 HG23 THR 42 HG23 THR 42 1.801 -9.633 -12.735 330 H THR 43 H THR 43 3.601 -7.048 -8.791 331 HA THR 43 HA THR 43 1.382 -5.047 -8.910 332 HB THR 43 HB THR 43 0.889 -7.048 -7.599 333 HG1 THR 43 HG1 THR 43 -0.090 -5.137 -7.048 334 HG21 THR 43 HG21 THR 43 3.143 -7.545 -6.634 335 HG22 THR 43 HG22 THR 43 1.869 -7.429 -5.416 336 HG23 THR 43 HG23 THR 43 3.008 -6.086 -5.626 337 H ARG 44 H ARG 44 1.550 -3.028 -8.059 338 HA ARG 44 HA ARG 44 4.125 -2.148 -6.817 339 HB2 ARG 44 HB2 ARG 44 2.771 -0.673 -9.102 340 HB3 ARG 44 HB3 ARG 44 4.254 -0.211 -8.275 341 HG2 ARG 44 HG2 ARG 44 5.361 -2.279 -9.174 342 HG3 ARG 44 HG3 ARG 44 3.869 -2.653 -10.064 343 HD2 ARG 44 HD2 ARG 44 4.027 -0.423 -11.194 344 HD3 ARG 44 HD3 ARG 44 5.586 -0.158 -10.420 345 HE ARG 44 HE ARG 44 4.955 -1.935 -12.673 346 HH11 ARG 44 HH11 ARG 44 7.407 -1.283 -10.249 347 HH12 ARG 44 HH12 ARG 44 8.657 -2.052 -11.186 348 HH21 ARG 44 HH21 ARG 44 6.588 -2.932 -13.783 349 HH22 ARG 44 HH22 ARG 44 8.198 -2.958 -13.131 350 H LEU 45 H LEU 45 4.009 -0.169 -5.662 351 HA LEU 45 HA LEU 45 1.301 0.653 -4.709 352 HB2 LEU 45 HB2 LEU 45 2.061 -1.165 -3.281 353 HB3 LEU 45 HB3 LEU 45 3.654 -0.435 -3.128 354 HG LEU 45 HG LEU 45 2.704 1.442 -1.831 355 HD11 LEU 45 HD11 LEU 45 0.104 -0.149 -1.876 356 HD12 LEU 45 HD12 LEU 45 0.356 1.427 -2.660 357 HD13 LEU 45 HD13 LEU 45 0.445 1.288 -0.899 358 HD21 LEU 45 HD21 LEU 45 2.042 -1.338 -0.784 359 HD22 LEU 45 HD22 LEU 45 2.233 0.123 0.207 360 HD23 LEU 45 HD23 LEU 45 3.619 -0.521 -0.690 361 H THR 46 H THR 46 1.087 2.804 -4.366 362 HA THR 46 HA THR 46 3.504 4.498 -3.943 363 HB THR 46 HB THR 46 2.758 6.151 -5.559 364 HG1 THR 46 HG1 THR 46 0.861 4.202 -6.340 365 HG21 THR 46 HG21 THR 46 4.375 4.441 -6.332 366 HG22 THR 46 HG22 THR 46 3.339 5.058 -7.631 367 HG23 THR 46 HG23 THR 46 3.027 3.453 -6.941 368 H TYR 47 H TYR 47 3.185 6.544 -3.119 369 HA TYR 47 HA TYR 47 0.571 7.374 -2.026 370 HB2 TYR 47 HB2 TYR 47 1.373 5.996 -0.218 371 HB3 TYR 47 HB3 TYR 47 3.005 6.617 -0.388 372 HD1 TYR 47 HD1 TYR 47 -0.383 8.266 0.054 373 HD2 TYR 47 HD2 TYR 47 3.695 7.883 1.417 374 HE1 TYR 47 HE1 TYR 47 -0.756 10.095 1.702 375 HE2 TYR 47 HE2 TYR 47 3.310 9.695 3.073 376 HH TYR 47 HH TYR 47 1.828 11.254 3.890 377 H LYS 48 H LYS 48 0.394 9.563 -2.125 378 HA LYS 48 HA LYS 48 0.847 11.721 -2.688 379 HB2 LYS 48 HB2 LYS 48 1.928 11.203 -0.296 380 HB3 LYS 48 HB3 LYS 48 3.426 11.566 -1.129 381 HG2 LYS 48 HG2 LYS 48 2.766 13.598 -0.150 382 HG3 LYS 48 HG3 LYS 48 2.295 13.795 -1.843 383 HD2 LYS 48 HD2 LYS 48 -0.060 13.164 -1.224 384 HD3 LYS 48 HD3 LYS 48 0.459 12.987 0.465 385 HE2 LYS 48 HE2 LYS 48 1.178 15.380 0.467 386 HE3 LYS 48 HE3 LYS 48 0.608 15.543 -1.198 387 HZ1 LYS 48 HZ1 LYS 48 -1.640 15.003 -0.403 388 HZ2 LYS 48 HZ2 LYS 48 -1.065 16.312 0.382 389 HZ3 LYS 48 HZ3 LYS 48 -1.105 14.868 1.138 390 H GLY 49 H GLY 49 1.805 9.874 -4.653 391 HA2 GLY 49 HA2 GLY 49 2.842 10.024 -6.721 392 HA3 GLY 49 HA3 GLY 49 3.535 11.580 -6.269 393 H ARG 50 H ARG 50 4.353 9.325 -3.882 394 HA ARG 50 HA ARG 50 7.034 8.713 -5.086 395 HB2 ARG 50 HB2 ARG 50 6.213 9.305 -2.200 396 HB3 ARG 50 HB3 ARG 50 7.748 8.586 -2.648 397 HG2 ARG 50 HG2 ARG 50 8.223 10.829 -2.299 398 HG3 ARG 50 HG3 ARG 50 8.265 10.614 -4.051 399 HD2 ARG 50 HD2 ARG 50 6.056 11.673 -4.247 400 HD3 ARG 50 HD3 ARG 50 5.915 11.766 -2.480 401 HE ARG 50 HE ARG 50 8.291 13.104 -3.182 402 HH11 ARG 50 HH11 ARG 50 4.857 13.583 -3.770 403 HH12 ARG 50 HH12 ARG 50 5.059 15.301 -4.018 404 HH21 ARG 50 HH21 ARG 50 8.458 15.298 -3.490 405 HH22 ARG 50 HH22 ARG 50 7.040 16.241 -3.846 406 H ALA 51 H ALA 51 8.039 6.757 -4.348 407 HA ALA 51 HA ALA 51 6.213 4.516 -3.633 408 HB1 ALA 51 HB1 ALA 51 8.202 3.112 -3.990 409 HB2 ALA 51 HB2 ALA 51 7.863 4.107 -5.419 410 HB3 ALA 51 HB3 ALA 51 9.185 4.555 -4.313 411 H LEU 52 H LEU 52 6.320 3.513 -1.627 412 HA LEU 52 HA LEU 52 7.942 4.828 0.510 413 HB2 LEU 52 HB2 LEU 52 6.488 3.560 2.077 414 HB3 LEU 52 HB3 LEU 52 5.751 4.891 1.224 415 HG LEU 52 HG LEU 52 5.342 2.240 -0.108 416 HD11 LEU 52 HD11 LEU 52 3.553 1.587 1.492 417 HD12 LEU 52 HD12 LEU 52 4.112 2.847 2.610 418 HD13 LEU 52 HD13 LEU 52 5.171 1.478 2.188 419 HD21 LEU 52 HD21 LEU 52 3.446 4.460 0.776 420 HD22 LEU 52 HD22 LEU 52 3.043 3.110 -0.297 421 HD23 LEU 52 HD23 LEU 52 4.203 4.340 -0.828 422 H LYS 53 H LYS 53 9.774 3.943 1.038 423 HA LYS 53 HA LYS 53 10.105 1.051 1.361 424 HB2 LYS 53 HB2 LYS 53 10.726 2.047 -1.137 425 HB3 LYS 53 HB3 LYS 53 12.238 2.320 -0.307 426 HG2 LYS 53 HG2 LYS 53 12.589 0.263 -1.227 427 HG3 LYS 53 HG3 LYS 53 12.072 -0.223 0.379 428 HD2 LYS 53 HD2 LYS 53 10.147 -0.006 -1.986 429 HD3 LYS 53 HD3 LYS 53 11.127 -1.437 -1.750 430 HE2 LYS 53 HE2 LYS 53 9.193 -0.405 0.366 431 HE3 LYS 53 HE3 LYS 53 8.729 -1.520 -0.910 432 HZ1 LYS 53 HZ1 LYS 53 10.393 -3.094 -0.118 433 HZ2 LYS 53 HZ2 LYS 53 9.364 -2.734 1.093 434 HZ3 LYS 53 HZ3 LYS 53 10.871 -2.094 1.075 435 H ASP 54 H ASP 54 11.836 0.498 2.690 436 HA ASP 54 HA ASP 54 13.124 0.677 4.517 437 HB2 ASP 54 HB2 ASP 54 14.526 2.770 2.844 438 HB3 ASP 54 HB3 ASP 54 15.233 1.833 4.159 439 H THR 55 H THR 55 10.771 2.540 4.734 440 HA THR 55 HA THR 55 11.689 4.895 6.155 441 HB THR 55 HB THR 55 9.397 5.354 6.606 442 HG1 THR 55 HG1 THR 55 7.789 3.858 6.252 443 HG21 THR 55 HG21 THR 55 10.127 5.567 4.186 444 HG22 THR 55 HG22 THR 55 8.383 5.342 4.420 445 HG23 THR 55 HG23 THR 55 9.384 3.984 3.880 446 H GLU 56 H GLU 56 10.998 1.675 7.142 447 HA GLU 56 HA GLU 56 10.960 0.491 9.022 448 HB2 GLU 56 HB2 GLU 56 13.097 1.890 9.383 449 HB3 GLU 56 HB3 GLU 56 12.192 2.726 10.635 450 HG2 GLU 56 HG2 GLU 56 12.588 -0.305 10.471 451 HG3 GLU 56 HG3 GLU 56 13.673 0.774 11.331 452 H THR 57 H THR 57 9.696 3.774 9.589 453 HA THR 57 HA THR 57 7.224 2.666 10.737 454 HB THR 57 HB THR 57 8.581 2.872 12.743 455 HG1 THR 57 HG1 THR 57 6.531 3.473 13.147 456 HG21 THR 57 HG21 THR 57 8.970 5.813 12.030 457 HG22 THR 57 HG22 THR 57 10.241 4.572 12.048 458 HG23 THR 57 HG23 THR 57 9.431 5.028 13.552 459 H LEU 58 H LEU 58 5.487 4.193 10.833 460 HA LEU 58 HA LEU 58 5.400 6.136 8.696 461 HB2 LEU 58 HB2 LEU 58 3.552 5.668 11.076 462 HB3 LEU 58 HB3 LEU 58 3.180 6.666 9.681 463 HG LEU 58 HG LEU 58 3.589 3.647 9.636 464 HD11 LEU 58 HD11 LEU 58 1.106 5.382 9.267 465 HD12 LEU 58 HD12 LEU 58 1.477 4.365 10.676 466 HD13 LEU 58 HD13 LEU 58 1.174 3.614 9.104 467 HD21 LEU 58 HD21 LEU 58 2.834 5.575 7.390 468 HD22 LEU 58 HD22 LEU 58 2.748 3.802 7.294 469 HD23 LEU 58 HD23 LEU 58 4.312 4.591 7.488 470 H GLU 59 H GLU 59 6.306 6.388 12.092 471 HA GLU 59 HA GLU 59 5.963 9.226 12.398 472 HB2 GLU 59 HB2 GLU 59 7.416 7.040 13.847 473 HB3 GLU 59 HB3 GLU 59 8.065 8.660 14.047 474 HG2 GLU 59 HG2 GLU 59 6.555 8.328 15.826 475 HG3 GLU 59 HG3 GLU 59 5.838 9.504 14.736 476 H SER 60 H SER 60 8.539 7.390 10.783 477 HA SER 60 HA SER 60 10.520 9.455 10.701 478 HB2 SER 60 HB2 SER 60 9.961 7.212 8.719 479 HB3 SER 60 HB3 SER 60 11.452 8.167 8.813 480 HG SER 60 HG SER 60 11.415 6.061 9.915 481 H LEU 61 H LEU 61 7.610 8.946 8.801 482 HA LEU 61 HA LEU 61 8.326 11.064 6.829 483 HB2 LEU 61 HB2 LEU 61 6.304 8.819 6.952 484 HB3 LEU 61 HB3 LEU 61 6.011 10.207 5.913 485 HG LEU 61 HG LEU 61 8.022 9.831 4.641 486 HD11 LEU 61 HD11 LEU 61 9.578 8.883 6.246 487 HD12 LEU 61 HD12 LEU 61 9.362 7.750 4.920 488 HD13 LEU 61 HD13 LEU 61 8.533 7.457 6.472 489 HD21 LEU 61 HD21 LEU 61 6.440 7.252 5.012 490 HD22 LEU 61 HD22 LEU 61 7.383 7.712 3.577 491 HD23 LEU 61 HD23 LEU 61 5.942 8.641 4.019 492 H GLY 62 H GLY 62 6.730 10.853 9.825 493 HA2 GLY 62 HA2 GLY 62 5.511 12.373 11.034 494 HA3 GLY 62 HA3 GLY 62 5.949 13.586 9.826 495 H VAL 63 H VAL 63 4.051 10.686 9.076 496 HA VAL 63 HA VAL 63 2.172 12.195 7.578 497 HB VAL 63 HB VAL 63 1.038 10.149 7.116 498 HG11 VAL 63 HG11 VAL 63 2.820 8.870 6.125 499 HG12 VAL 63 HG12 VAL 63 3.256 10.586 6.035 500 HG13 VAL 63 HG13 VAL 63 4.010 9.533 7.257 501 HG21 VAL 63 HG21 VAL 63 1.720 7.983 8.144 502 HG22 VAL 63 HG22 VAL 63 2.691 8.879 9.337 503 HG23 VAL 63 HG23 VAL 63 0.924 9.056 9.296 504 H ALA 64 H ALA 64 -0.063 12.412 7.702 505 HA ALA 64 HA ALA 64 -1.203 12.827 10.397 506 HB1 ALA 64 HB1 ALA 64 -2.268 13.468 7.612 507 HB2 ALA 64 HB2 ALA 64 -2.951 14.021 9.155 508 HB3 ALA 64 HB3 ALA 64 -1.352 14.587 8.650 509 H ASP 65 H ASP 65 -3.710 12.301 10.391 510 HA ASP 65 HA ASP 65 -4.185 9.444 9.885 511 HB2 ASP 65 HB2 ASP 65 -5.106 10.715 11.859 512 HB3 ASP 65 HB3 ASP 65 -6.112 11.641 10.743 513 H GLY 66 H GLY 66 -5.786 8.625 8.383 514 HA2 GLY 66 HA2 GLY 66 -7.220 8.609 6.599 515 HA3 GLY 66 HA3 GLY 66 -7.285 10.369 6.641 516 H ASP 67 H ASP 67 -4.248 8.583 6.130 517 HA ASP 67 HA ASP 67 -3.675 9.820 3.579 518 HB2 ASP 67 HB2 ASP 67 -2.536 7.264 4.763 519 HB3 ASP 67 HB3 ASP 67 -1.874 8.157 3.400 520 H LYS 68 H LYS 68 -3.535 8.794 1.477 521 HA LYS 68 HA LYS 68 -5.139 6.319 1.142 522 HB2 LYS 68 HB2 LYS 68 -6.238 7.099 -0.817 523 HB3 LYS 68 HB3 LYS 68 -6.559 8.205 0.517 524 HG2 LYS 68 HG2 LYS 68 -4.801 9.763 -0.420 525 HG3 LYS 68 HG3 LYS 68 -4.622 8.655 -1.797 526 HD2 LYS 68 HD2 LYS 68 -7.060 8.964 -2.325 527 HD3 LYS 68 HD3 LYS 68 -7.183 10.082 -0.962 528 HE2 LYS 68 HE2 LYS 68 -6.990 11.438 -2.892 529 HE3 LYS 68 HE3 LYS 68 -5.442 11.542 -2.053 530 HZ1 LYS 68 HZ1 LYS 68 -5.165 11.220 -4.452 531 HZ2 LYS 68 HZ2 LYS 68 -5.998 9.820 -4.418 532 HZ3 LYS 68 HZ3 LYS 68 -4.547 9.933 -3.665 533 H PHE 69 H PHE 69 -4.444 4.815 -0.220 534 HA PHE 69 HA PHE 69 -1.723 5.219 -1.439 535 HB2 PHE 69 HB2 PHE 69 -2.761 2.700 -0.113 536 HB3 PHE 69 HB3 PHE 69 -1.152 2.981 -0.754 537 HD1 PHE 69 HD1 PHE 69 -0.772 5.822 0.565 538 HD2 PHE 69 HD2 PHE 69 -2.067 1.986 2.047 539 HE1 PHE 69 HE1 PHE 69 0.021 6.431 2.828 540 HE2 PHE 69 HE2 PHE 69 -1.268 2.599 4.315 541 HZ PHE 69 HZ PHE 69 -0.228 4.827 4.712 542 H VAL 70 H VAL 70 -1.448 4.494 -3.511 543 HA VAL 70 HA VAL 70 -3.819 3.190 -4.818 544 HB VAL 70 HB VAL 70 -1.611 4.846 -6.063 545 HG11 VAL 70 HG11 VAL 70 -2.986 4.687 -8.131 546 HG12 VAL 70 HG12 VAL 70 -2.356 3.113 -7.645 547 HG13 VAL 70 HG13 VAL 70 -4.056 3.520 -7.322 548 HG21 VAL 70 HG21 VAL 70 -4.585 5.400 -5.655 549 HG22 VAL 70 HG22 VAL 70 -3.246 6.217 -4.820 550 HG23 VAL 70 HG23 VAL 70 -3.453 6.430 -6.560 551 H LEU 71 H LEU 71 -3.685 1.197 -5.568 552 HA LEU 71 HA LEU 71 -1.005 -0.101 -5.763 553 HB2 LEU 71 HB2 LEU 71 -3.057 -1.026 -4.230 554 HB3 LEU 71 HB3 LEU 71 -3.481 -1.754 -5.780 555 HG LEU 71 HG LEU 71 -1.074 -2.631 -5.892 556 HD11 LEU 71 HD11 LEU 71 -1.269 -2.067 -2.894 557 HD12 LEU 71 HD12 LEU 71 -0.215 -1.193 -4.025 558 HD13 LEU 71 HD13 LEU 71 0.043 -2.913 -3.745 559 HD21 LEU 71 HD21 LEU 71 -3.051 -4.038 -5.479 560 HD22 LEU 71 HD22 LEU 71 -2.967 -3.666 -3.740 561 HD23 LEU 71 HD23 LEU 71 -1.663 -4.583 -4.530 562 H ILE 72 H ILE 72 -0.313 -0.786 -7.666 563 HA ILE 72 HA ILE 72 -2.110 -0.609 -10.057 564 HB ILE 72 HB ILE 72 0.867 -0.030 -9.946 565 HG12 ILE 72 HG12 ILE 72 -0.238 2.333 -10.739 566 HG13 ILE 72 HG13 ILE 72 -1.517 1.781 -9.671 567 HG21 ILE 72 HG21 ILE 72 -1.136 0.255 -12.215 568 HG22 ILE 72 HG22 ILE 72 0.543 0.831 -12.245 569 HG23 ILE 72 HG23 ILE 72 0.228 -0.890 -12.131 570 HD11 ILE 72 HD11 ILE 72 0.178 1.608 -7.814 571 HD12 ILE 72 HD12 ILE 72 1.443 2.116 -8.954 572 HD13 ILE 72 HD13 ILE 72 0.134 3.230 -8.523 573 H THR 73 H THR 73 -1.894 -2.186 -11.643 574 HA THR 73 HA THR 73 -0.282 -4.606 -10.992 575 HB THR 73 HB THR 73 -2.629 -4.916 -10.255 576 HG1 THR 73 HG1 THR 73 -2.776 -6.922 -11.223 577 HG21 THR 73 HG21 THR 73 -3.291 -4.837 -13.239 578 HG22 THR 73 HG22 THR 73 -3.824 -3.646 -12.030 579 HG23 THR 73 HG23 THR 73 -4.380 -5.321 -11.929 580 H ARG 74 H ARG 74 -0.125 -6.099 -12.838 581 HA ARG 74 HA ARG 74 0.042 -4.801 -15.526 582 HB2 ARG 74 HB2 ARG 74 2.270 -5.826 -13.808 583 HB3 ARG 74 HB3 ARG 74 2.317 -6.371 -15.469 584 HG2 ARG 74 HG2 ARG 74 2.083 -3.424 -14.743 585 HG3 ARG 74 HG3 ARG 74 3.629 -4.277 -14.868 586 HD2 ARG 74 HD2 ARG 74 2.975 -4.991 -17.204 587 HD3 ARG 74 HD3 ARG 74 1.588 -3.903 -17.095 588 HE ARG 74 HE ARG 74 3.196 -2.027 -16.750 589 HH11 ARG 74 HH11 ARG 74 4.470 -4.877 -18.370 590 HH12 ARG 74 HH12 ARG 74 5.768 -3.976 -19.101 591 HH21 ARG 74 HH21 ARG 74 4.883 -0.966 -17.711 592 HH22 ARG 74 HH22 ARG 74 5.986 -1.832 -18.738 593 H THR 75 H THR 75 -0.471 -6.115 -17.203 594 HA THR 75 HA THR 75 -1.297 -8.903 -16.675 595 HB THR 75 HB THR 75 -1.873 -8.906 -19.106 596 HG1 THR 75 HG1 THR 75 -1.960 -6.922 -20.149 597 HG21 THR 75 HG21 THR 75 -3.156 -6.675 -17.464 598 HG22 THR 75 HG22 THR 75 -3.555 -8.404 -17.352 599 HG23 THR 75 HG23 THR 75 -3.879 -7.519 -18.853 600 H VAL 76 H VAL 76 -0.085 -10.615 -17.019 601 HA VAL 76 HA VAL 76 2.445 -10.453 -18.593 602 HB VAL 76 HB VAL 76 3.670 -11.601 -16.804 603 HG11 VAL 76 HG11 VAL 76 4.035 -9.722 -15.360 604 HG12 VAL 76 HG12 VAL 76 3.760 -9.134 -17.007 605 HG13 VAL 76 HG13 VAL 76 2.470 -9.005 -15.789 606 HG21 VAL 76 HG21 VAL 76 2.820 -11.721 -14.521 607 HG22 VAL 76 HG22 VAL 76 1.253 -11.060 -15.021 608 HG23 VAL 76 HG23 VAL 76 1.774 -12.664 -15.591 609 H GLY 77 H GLY 77 -0.275 -11.806 -18.910 610 HA2 GLY 77 HA2 GLY 77 0.542 -14.124 -20.320 611 HA3 GLY 77 HA3 GLY 77 -0.042 -14.645 -18.736 Start of MODEL 14 1 HA MET 1 HA MET 1 -4.462 6.110 12.740 2 HB2 MET 1 HB2 MET 1 -5.253 8.600 11.200 3 HB3 MET 1 HB3 MET 1 -6.083 7.932 12.648 4 HG2 MET 1 HG2 MET 1 -3.171 8.686 12.736 5 HG3 MET 1 HG3 MET 1 -4.455 9.929 12.925 6 HE1 MET 1 HE1 MET 1 -2.966 9.513 16.538 7 HE2 MET 1 HE2 MET 1 -3.304 10.651 15.189 8 HE3 MET 1 HE3 MET 1 -2.069 9.361 14.987 9 H LYS 2 H LYS 2 -6.954 7.303 10.888 10 HA LYS 2 HA LYS 2 -7.403 4.826 9.334 11 HB2 LYS 2 HB2 LYS 2 -8.914 7.460 9.453 12 HB3 LYS 2 HB3 LYS 2 -9.296 6.145 8.333 13 HG2 LYS 2 HG2 LYS 2 -9.552 4.593 10.302 14 HG3 LYS 2 HG3 LYS 2 -9.378 5.995 11.371 15 HD2 LYS 2 HD2 LYS 2 -11.362 7.044 10.291 16 HD3 LYS 2 HD3 LYS 2 -11.514 5.640 9.218 17 HE2 LYS 2 HE2 LYS 2 -11.802 4.172 11.223 18 HE3 LYS 2 HE3 LYS 2 -11.726 5.602 12.261 19 HZ1 LYS 2 HZ1 LYS 2 -13.714 6.447 11.122 20 HZ2 LYS 2 HZ2 LYS 2 -14.027 4.983 11.776 21 HZ3 LYS 2 HZ3 LYS 2 -13.783 5.119 10.167 22 H ILE 3 H ILE 3 -7.113 4.520 7.236 23 HA ILE 3 HA ILE 3 -5.936 6.643 5.527 24 HB ILE 3 HB ILE 3 -4.316 5.097 4.588 25 HG12 ILE 3 HG12 ILE 3 -3.678 3.025 5.895 26 HG13 ILE 3 HG13 ILE 3 -5.266 3.058 6.638 27 HG21 ILE 3 HG21 ILE 3 -3.740 6.589 6.489 28 HG22 ILE 3 HG22 ILE 3 -4.001 5.233 7.605 29 HG23 ILE 3 HG23 ILE 3 -2.718 5.150 6.386 30 HD11 ILE 3 HD11 ILE 3 -4.953 1.489 4.674 31 HD12 ILE 3 HD12 ILE 3 -6.309 2.592 4.475 32 HD13 ILE 3 HD13 ILE 3 -4.777 2.905 3.622 33 H LYS 4 H LYS 4 -6.027 6.054 3.205 34 HA LYS 4 HA LYS 4 -8.467 4.415 2.562 35 HB2 LYS 4 HB2 LYS 4 -7.559 6.946 1.149 36 HB3 LYS 4 HB3 LYS 4 -8.992 5.971 0.798 37 HG2 LYS 4 HG2 LYS 4 -9.738 6.457 3.214 38 HG3 LYS 4 HG3 LYS 4 -8.409 7.609 3.305 39 HD2 LYS 4 HD2 LYS 4 -10.351 8.863 2.832 40 HD3 LYS 4 HD3 LYS 4 -9.410 8.837 1.335 41 HE2 LYS 4 HE2 LYS 4 -10.878 7.056 0.436 42 HE3 LYS 4 HE3 LYS 4 -11.745 6.975 1.975 43 HZ1 LYS 4 HZ1 LYS 4 -12.482 9.265 1.617 44 HZ2 LYS 4 HZ2 LYS 4 -12.949 8.336 0.362 45 HZ3 LYS 4 HZ3 LYS 4 -11.683 9.353 0.192 46 H ILE 5 H ILE 5 -7.736 2.539 1.763 47 HA ILE 5 HA ILE 5 -5.394 2.492 -0.042 48 HB ILE 5 HB ILE 5 -5.701 0.700 1.620 49 HG12 ILE 5 HG12 ILE 5 -5.757 -0.335 -1.250 50 HG13 ILE 5 HG13 ILE 5 -4.384 0.507 -0.531 51 HG21 ILE 5 HG21 ILE 5 -8.195 0.465 1.456 52 HG22 ILE 5 HG22 ILE 5 -8.001 -0.291 -0.132 53 HG23 ILE 5 HG23 ILE 5 -7.343 -1.072 1.315 54 HD11 ILE 5 HD11 ILE 5 -5.518 -2.154 0.405 55 HD12 ILE 5 HD12 ILE 5 -3.989 -1.867 -0.435 56 HD13 ILE 5 HD13 ILE 5 -4.210 -1.255 1.216 57 H VAL 6 H VAL 6 -5.473 2.173 -2.232 58 HA VAL 6 HA VAL 6 -8.158 2.198 -3.567 59 HB VAL 6 HB VAL 6 -5.771 3.732 -4.601 60 HG11 VAL 6 HG11 VAL 6 -8.759 3.856 -5.199 61 HG12 VAL 6 HG12 VAL 6 -7.490 4.844 -5.957 62 HG13 VAL 6 HG13 VAL 6 -7.530 3.099 -6.238 63 HG21 VAL 6 HG21 VAL 6 -8.017 4.734 -2.831 64 HG22 VAL 6 HG22 VAL 6 -6.274 4.823 -2.522 65 HG23 VAL 6 HG23 VAL 6 -6.978 5.784 -3.825 66 HA PRO 7 HA PRO 7 -5.688 -1.373 -5.127 67 HB2 PRO 7 HB2 PRO 7 -7.594 -3.305 -4.964 68 HB3 PRO 7 HB3 PRO 7 -6.689 -2.734 -3.533 69 HG2 PRO 7 HG2 PRO 7 -9.451 -1.878 -4.446 70 HG3 PRO 7 HG3 PRO 7 -8.929 -2.381 -2.806 71 HD2 PRO 7 HD2 PRO 7 -9.097 0.242 -3.554 72 HD3 PRO 7 HD3 PRO 7 -7.848 -0.341 -2.419 73 H ALA 8 H ALA 8 -5.421 -1.694 -7.257 74 HA ALA 8 HA ALA 8 -7.364 -0.904 -9.234 75 HB1 ALA 8 HB1 ALA 8 -4.705 -2.355 -9.525 76 HB2 ALA 8 HB2 ALA 8 -5.588 -1.497 -10.808 77 HB3 ALA 8 HB3 ALA 8 -4.917 -0.588 -9.446 78 H VAL 9 H VAL 9 -8.389 -3.085 -7.574 79 HA VAL 9 HA VAL 9 -9.062 -5.112 -9.632 80 HB VAL 9 HB VAL 9 -8.791 -6.963 -8.028 81 HG11 VAL 9 HG11 VAL 9 -7.056 -6.506 -9.730 82 HG12 VAL 9 HG12 VAL 9 -6.167 -5.525 -8.544 83 HG13 VAL 9 HG13 VAL 9 -6.406 -7.261 -8.264 84 HG21 VAL 9 HG21 VAL 9 -7.443 -6.791 -6.041 85 HG22 VAL 9 HG22 VAL 9 -7.135 -5.069 -6.322 86 HG23 VAL 9 HG23 VAL 9 -8.770 -5.632 -5.895 87 H GLY 10 H GLY 10 -10.916 -6.478 -9.007 88 HA2 GLY 10 HA2 GLY 10 -13.124 -6.689 -8.335 89 HA3 GLY 10 HA3 GLY 10 -12.726 -5.750 -6.897 90 H GLY 11 H GLY 11 -14.187 -4.127 -6.758 91 HA2 GLY 11 HA2 GLY 11 -15.433 -2.778 -8.999 92 HA3 GLY 11 HA3 GLY 11 -15.502 -2.310 -7.300 93 H GLY 12 H GLY 12 -12.318 -2.328 -7.527 94 HA2 GLY 12 HA2 GLY 12 -10.627 -0.869 -8.020 95 HA3 GLY 12 HA3 GLY 12 -11.649 -0.099 -9.228 96 H SER 13 H SER 13 -13.391 0.091 -6.406 97 HA SER 13 HA SER 13 -13.068 2.912 -6.163 98 HB2 SER 13 HB2 SER 13 -14.435 0.971 -4.258 99 HB3 SER 13 HB3 SER 13 -14.723 2.713 -4.353 100 HG SER 13 HG SER 13 -15.599 2.439 -6.411 101 HA PRO 14 HA PRO 14 -10.147 3.217 -2.674 102 HB2 PRO 14 HB2 PRO 14 -11.000 5.518 -1.474 103 HB3 PRO 14 HB3 PRO 14 -10.119 5.520 -3.033 104 HG2 PRO 14 HG2 PRO 14 -13.121 5.644 -2.615 105 HG3 PRO 14 HG3 PRO 14 -12.098 6.707 -3.634 106 HD2 PRO 14 HD2 PRO 14 -13.432 4.596 -4.685 107 HD3 PRO 14 HD3 PRO 14 -11.791 5.013 -5.257 108 H LEU 15 H LEU 15 -10.188 2.675 -0.459 109 HA LEU 15 HA LEU 15 -12.812 2.398 0.914 110 HB2 LEU 15 HB2 LEU 15 -12.304 0.267 -0.270 111 HB3 LEU 15 HB3 LEU 15 -10.762 0.178 0.580 112 HG LEU 15 HG LEU 15 -12.004 0.014 2.760 113 HD11 LEU 15 HD11 LEU 15 -14.145 1.085 2.143 114 HD12 LEU 15 HD12 LEU 15 -14.424 -0.569 2.683 115 HD13 LEU 15 HD13 LEU 15 -14.454 -0.190 0.944 116 HD21 LEU 15 HD21 LEU 15 -11.232 -1.999 1.568 117 HD22 LEU 15 HD22 LEU 15 -12.764 -2.062 0.665 118 HD23 LEU 15 HD23 LEU 15 -12.753 -2.302 2.426 119 H GLU 16 H GLU 16 -12.790 2.899 3.018 120 HA GLU 16 HA GLU 16 -10.347 3.902 4.261 121 HB2 GLU 16 HB2 GLU 16 -13.158 3.611 5.386 122 HB3 GLU 16 HB3 GLU 16 -11.800 4.458 6.150 123 HG2 GLU 16 HG2 GLU 16 -11.702 5.984 4.161 124 HG3 GLU 16 HG3 GLU 16 -13.164 5.222 3.533 125 H LEU 17 H LEU 17 -9.066 2.929 5.715 126 HA LEU 17 HA LEU 17 -10.080 0.724 7.415 127 HB2 LEU 17 HB2 LEU 17 -7.512 0.546 5.767 128 HB3 LEU 17 HB3 LEU 17 -7.838 -0.407 7.200 129 HG LEU 17 HG LEU 17 -10.072 -1.077 5.853 130 HD11 LEU 17 HD11 LEU 17 -9.492 0.278 3.825 131 HD12 LEU 17 HD12 LEU 17 -9.537 -1.452 3.471 132 HD13 LEU 17 HD13 LEU 17 -7.975 -0.624 3.678 133 HD21 LEU 17 HD21 LEU 17 -7.316 -2.289 5.387 134 HD22 LEU 17 HD22 LEU 17 -8.875 -3.099 5.111 135 HD23 LEU 17 HD23 LEU 17 -8.402 -2.638 6.753 136 H GLU 18 H GLU 18 -9.229 0.725 9.467 137 HA GLU 18 HA GLU 18 -7.471 2.960 10.295 138 HB2 GLU 18 HB2 GLU 18 -9.506 2.243 11.574 139 HB3 GLU 18 HB3 GLU 18 -8.684 0.751 11.997 140 HG2 GLU 18 HG2 GLU 18 -7.580 3.544 12.580 141 HG3 GLU 18 HG3 GLU 18 -8.687 2.718 13.668 142 H VAL 19 H VAL 19 -5.293 2.747 10.758 143 HA VAL 19 HA VAL 19 -4.113 0.033 10.883 144 HB VAL 19 HB VAL 19 -4.084 0.780 8.501 145 HG11 VAL 19 HG11 VAL 19 -3.673 3.200 8.822 146 HG12 VAL 19 HG12 VAL 19 -2.042 2.847 9.438 147 HG13 VAL 19 HG13 VAL 19 -2.461 2.452 7.768 148 HG21 VAL 19 HG21 VAL 19 -2.463 -0.867 9.387 149 HG22 VAL 19 HG22 VAL 19 -1.798 0.108 8.067 150 HG23 VAL 19 HG23 VAL 19 -1.325 0.457 9.740 151 H ALA 20 H ALA 20 -2.277 -0.185 12.065 152 HA ALA 20 HA ALA 20 -1.792 1.705 14.130 153 HB1 ALA 20 HB1 ALA 20 -0.142 -0.691 13.198 154 HB2 ALA 20 HB2 ALA 20 0.021 0.130 14.764 155 HB3 ALA 20 HB3 ALA 20 -1.478 -0.728 14.374 156 HA PRO 21 HA PRO 21 1.246 4.437 12.291 157 HB2 PRO 21 HB2 PRO 21 2.743 5.160 14.494 158 HB3 PRO 21 HB3 PRO 21 1.084 5.746 14.179 159 HG2 PRO 21 HG2 PRO 21 1.957 3.440 15.947 160 HG3 PRO 21 HG3 PRO 21 0.834 4.781 16.349 161 HD2 PRO 21 HD2 PRO 21 -0.093 2.372 15.557 162 HD3 PRO 21 HD3 PRO 21 -0.879 3.874 14.989 163 H ASN 22 H ASN 22 2.217 1.548 13.965 164 HA ASN 22 HA ASN 22 5.028 1.609 13.241 165 HB2 ASN 22 HB2 ASN 22 3.268 -0.623 14.331 166 HB3 ASN 22 HB3 ASN 22 5.025 -0.667 14.244 167 HD21 ASN 22 HD21 ASN 22 3.100 -0.761 16.592 168 HD22 ASN 22 HD22 ASN 22 3.723 0.494 17.654 169 H ALA 23 H ALA 23 2.522 1.251 11.126 170 HA ALA 23 HA ALA 23 3.001 -1.185 9.791 171 HB1 ALA 23 HB1 ALA 23 1.797 -0.121 7.912 172 HB2 ALA 23 HB2 ALA 23 1.004 0.183 9.469 173 HB3 ALA 23 HB3 ALA 23 1.966 1.465 8.698 174 H THR 24 H THR 24 4.598 -1.937 8.595 175 HA THR 24 HA THR 24 6.730 -0.135 7.537 176 HB THR 24 HB THR 24 6.804 -3.098 8.207 177 HG1 THR 24 HG1 THR 24 7.903 -0.820 9.481 178 HG21 THR 24 HG21 THR 24 8.465 -2.690 6.495 179 HG22 THR 24 HG22 THR 24 9.292 -2.802 8.046 180 HG23 THR 24 HG23 THR 24 9.021 -1.214 7.309 181 H VAL 25 H VAL 25 7.289 -0.122 5.418 182 HA VAL 25 HA VAL 25 5.425 -0.784 3.443 183 HB VAL 25 HB VAL 25 8.432 -0.447 3.081 184 HG11 VAL 25 HG11 VAL 25 7.780 0.329 0.791 185 HG12 VAL 25 HG12 VAL 25 7.500 -1.383 1.047 186 HG13 VAL 25 HG13 VAL 25 6.133 -0.253 1.092 187 HG21 VAL 25 HG21 VAL 25 7.826 1.920 2.529 188 HG22 VAL 25 HG22 VAL 25 6.172 1.590 3.100 189 HG23 VAL 25 HG23 VAL 25 7.541 1.487 4.214 190 H GLY 26 H GLY 26 8.380 -2.664 4.259 191 HA2 GLY 26 HA2 GLY 26 8.126 -4.666 2.287 192 HA3 GLY 26 HA3 GLY 26 8.949 -4.858 3.842 193 H ALA 27 H ALA 27 6.732 -4.594 5.602 194 HA ALA 27 HA ALA 27 5.574 -7.226 5.502 195 HB1 ALA 27 HB1 ALA 27 4.339 -6.460 7.492 196 HB2 ALA 27 HB2 ALA 27 6.051 -6.015 7.600 197 HB3 ALA 27 HB3 ALA 27 4.836 -4.786 7.184 198 H VAL 28 H VAL 28 4.193 -3.967 4.838 199 HA VAL 28 HA VAL 28 1.548 -4.828 4.154 200 HB VAL 28 HB VAL 28 3.151 -2.382 3.321 201 HG11 VAL 28 HG11 VAL 28 1.431 -2.678 1.602 202 HG12 VAL 28 HG12 VAL 28 0.191 -2.946 2.850 203 HG13 VAL 28 HG13 VAL 28 0.974 -1.359 2.676 204 HG21 VAL 28 HG21 VAL 28 0.859 -2.740 5.304 205 HG22 VAL 28 HG22 VAL 28 2.569 -2.561 5.741 206 HG23 VAL 28 HG23 VAL 28 1.722 -1.227 4.951 207 H ARG 29 H ARG 29 4.345 -4.144 1.993 208 HA ARG 29 HA ARG 29 3.027 -4.937 -0.415 209 HB2 ARG 29 HB2 ARG 29 5.024 -3.491 -0.239 210 HB3 ARG 29 HB3 ARG 29 6.013 -4.866 0.235 211 HG2 ARG 29 HG2 ARG 29 4.435 -4.920 -2.366 212 HG3 ARG 29 HG3 ARG 29 5.922 -3.988 -2.274 213 HD2 ARG 29 HD2 ARG 29 5.756 -6.960 -1.655 214 HD3 ARG 29 HD3 ARG 29 6.208 -6.270 -3.211 215 HE ARG 29 HE ARG 29 7.986 -5.015 -1.638 216 HH11 ARG 29 HH11 ARG 29 7.202 -8.433 -1.657 217 HH12 ARG 29 HH12 ARG 29 8.795 -8.886 -1.122 218 HH21 ARG 29 HH21 ARG 29 10.003 -5.677 -0.986 219 HH22 ARG 29 HH22 ARG 29 10.337 -7.370 -0.792 220 H THR 30 H THR 30 5.150 -6.864 1.757 221 HA THR 30 HA THR 30 5.071 -9.263 0.210 222 HB THR 30 HB THR 30 5.412 -8.933 3.213 223 HG1 THR 30 HG1 THR 30 7.035 -7.963 2.195 224 HG21 THR 30 HG21 THR 30 4.874 -11.280 2.774 225 HG22 THR 30 HG22 THR 30 6.607 -11.124 3.074 226 HG23 THR 30 HG23 THR 30 6.015 -11.319 1.409 227 H LYS 31 H LYS 31 2.812 -8.148 2.806 228 HA LYS 31 HA LYS 31 1.199 -10.519 2.743 229 HB2 LYS 31 HB2 LYS 31 1.155 -8.949 4.590 230 HB3 LYS 31 HB3 LYS 31 0.484 -7.673 3.567 231 HG2 LYS 31 HG2 LYS 31 -1.602 -8.737 3.349 232 HG3 LYS 31 HG3 LYS 31 -0.978 -10.326 3.796 233 HD2 LYS 31 HD2 LYS 31 -1.140 -8.010 5.766 234 HD3 LYS 31 HD3 LYS 31 -2.443 -9.186 5.514 235 HE2 LYS 31 HE2 LYS 31 -0.844 -11.044 6.032 236 HE3 LYS 31 HE3 LYS 31 0.400 -9.848 6.404 237 HZ1 LYS 31 HZ1 LYS 31 -2.191 -10.113 7.837 238 HZ2 LYS 31 HZ2 LYS 31 -1.037 -9.010 8.190 239 HZ3 LYS 31 HZ3 LYS 31 -0.743 -10.600 8.409 240 H VAL 32 H VAL 32 0.916 -7.504 0.790 241 HA VAL 32 HA VAL 32 -1.436 -8.464 -0.604 242 HB VAL 32 HB VAL 32 0.570 -6.411 -1.590 243 HG11 VAL 32 HG11 VAL 32 -0.928 -7.327 -3.389 244 HG12 VAL 32 HG12 VAL 32 -2.336 -6.969 -2.374 245 HG13 VAL 32 HG13 VAL 32 -1.310 -5.660 -2.984 246 HG21 VAL 32 HG21 VAL 32 -0.495 -5.719 0.570 247 HG22 VAL 32 HG22 VAL 32 -1.071 -4.746 -0.783 248 HG23 VAL 32 HG23 VAL 32 -2.091 -6.043 -0.121 249 H CYS 33 H CYS 33 2.086 -8.670 -1.470 250 HA CYS 33 HA CYS 33 1.769 -10.105 -3.893 251 HB2 CYS 33 HB2 CYS 33 3.949 -10.251 -1.761 252 HB3 CYS 33 HB3 CYS 33 4.044 -11.028 -3.348 253 HG CYS 33 HG CYS 33 5.448 -9.041 -3.783 254 H ALA 34 H ALA 34 1.924 -11.417 -0.538 255 HA ALA 34 HA ALA 34 1.605 -14.162 -1.269 256 HB1 ALA 34 HB1 ALA 34 1.090 -14.453 1.124 257 HB2 ALA 34 HB2 ALA 34 2.488 -13.385 0.898 258 HB3 ALA 34 HB3 ALA 34 0.903 -12.698 1.314 259 H MET 35 H MET 35 -0.855 -11.654 -0.456 260 HA MET 35 HA MET 35 -3.117 -13.407 -0.592 261 HB2 MET 35 HB2 MET 35 -3.053 -11.182 0.529 262 HB3 MET 35 HB3 MET 35 -2.953 -10.401 -1.053 263 HG2 MET 35 HG2 MET 35 -5.211 -10.281 -0.276 264 HG3 MET 35 HG3 MET 35 -5.176 -11.389 -1.644 265 HE1 MET 35 HE1 MET 35 -7.637 -12.170 -0.963 266 HE2 MET 35 HE2 MET 35 -8.073 -12.747 0.660 267 HE3 MET 35 HE3 MET 35 -7.603 -11.051 0.420 268 H LYS 36 H LYS 36 -1.550 -11.391 -3.093 269 HA LYS 36 HA LYS 36 -3.354 -12.233 -5.261 270 HB2 LYS 36 HB2 LYS 36 -0.661 -10.796 -5.237 271 HB3 LYS 36 HB3 LYS 36 -1.634 -11.052 -6.677 272 HG2 LYS 36 HG2 LYS 36 -2.472 -9.361 -4.281 273 HG3 LYS 36 HG3 LYS 36 -1.829 -8.785 -5.807 274 HD2 LYS 36 HD2 LYS 36 -4.043 -8.472 -6.254 275 HD3 LYS 36 HD3 LYS 36 -3.863 -10.105 -6.869 276 HE2 LYS 36 HE2 LYS 36 -5.862 -10.140 -5.625 277 HE3 LYS 36 HE3 LYS 36 -4.690 -10.932 -4.574 278 HZ1 LYS 36 HZ1 LYS 36 -5.541 -8.088 -4.358 279 HZ2 LYS 36 HZ2 LYS 36 -4.472 -8.815 -3.357 280 HZ3 LYS 36 HZ3 LYS 36 -6.038 -9.289 -3.378 281 H LYS 37 H LYS 37 -0.576 -13.651 -3.825 282 HA LYS 37 HA LYS 37 0.840 -15.338 -4.314 283 HB2 LYS 37 HB2 LYS 37 -1.289 -16.323 -6.250 284 HB3 LYS 37 HB3 LYS 37 0.076 -17.259 -5.681 285 HG2 LYS 37 HG2 LYS 37 -2.124 -16.165 -3.873 286 HG3 LYS 37 HG3 LYS 37 -2.108 -17.777 -4.561 287 HD2 LYS 37 HD2 LYS 37 0.059 -16.720 -2.694 288 HD3 LYS 37 HD3 LYS 37 -1.348 -17.658 -2.185 289 HE2 LYS 37 HE2 LYS 37 -0.634 -19.519 -3.690 290 HE3 LYS 37 HE3 LYS 37 0.810 -18.597 -4.127 291 HZ1 LYS 37 HZ1 LYS 37 1.475 -18.660 -1.779 292 HZ2 LYS 37 HZ2 LYS 37 1.274 -20.178 -2.344 293 HZ3 LYS 37 HZ3 LYS 37 0.140 -19.514 -1.380 294 H LEU 38 H LEU 38 1.177 -12.874 -5.646 295 HA LEU 38 HA LEU 38 2.674 -13.671 -8.096 296 HB2 LEU 38 HB2 LEU 38 0.465 -11.655 -7.840 297 HB3 LEU 38 HB3 LEU 38 1.893 -11.125 -8.686 298 HG LEU 38 HG LEU 38 1.696 -13.309 -10.094 299 HD11 LEU 38 HD11 LEU 38 -0.608 -14.098 -10.436 300 HD12 LEU 38 HD12 LEU 38 -1.184 -13.044 -9.128 301 HD13 LEU 38 HD13 LEU 38 -0.103 -14.406 -8.775 302 HD21 LEU 38 HD21 LEU 38 1.350 -11.076 -11.010 303 HD22 LEU 38 HD22 LEU 38 -0.313 -11.042 -10.390 304 HD23 LEU 38 HD23 LEU 38 0.151 -12.193 -11.664 305 HA PRO 39 HA PRO 39 6.081 -11.737 -6.324 306 HB2 PRO 39 HB2 PRO 39 7.623 -10.943 -8.455 307 HB3 PRO 39 HB3 PRO 39 7.228 -12.651 -8.112 308 HG2 PRO 39 HG2 PRO 39 5.800 -10.759 -10.014 309 HG3 PRO 39 HG3 PRO 39 6.443 -12.397 -10.366 310 HD2 PRO 39 HD2 PRO 39 3.845 -12.037 -9.724 311 HD3 PRO 39 HD3 PRO 39 4.748 -13.440 -9.089 312 HA PRO 40 HA PRO 40 6.062 -7.242 -5.859 313 HB2 PRO 40 HB2 PRO 40 8.720 -6.632 -5.528 314 HB3 PRO 40 HB3 PRO 40 7.747 -7.472 -4.289 315 HG2 PRO 40 HG2 PRO 40 9.557 -8.736 -6.366 316 HG3 PRO 40 HG3 PRO 40 9.547 -9.011 -4.593 317 HD2 PRO 40 HD2 PRO 40 8.244 -10.686 -6.238 318 HD3 PRO 40 HD3 PRO 40 7.486 -10.192 -4.703 319 H ASP 41 H ASP 41 7.774 -8.779 -8.491 320 HA ASP 41 HA ASP 41 8.388 -6.412 -10.041 321 HB2 ASP 41 HB2 ASP 41 7.890 -9.288 -10.886 322 HB3 ASP 41 HB3 ASP 41 8.524 -8.023 -11.932 323 H THR 42 H THR 42 5.383 -8.102 -9.427 324 HA THR 42 HA THR 42 4.006 -6.577 -11.608 325 HB THR 42 HB THR 42 2.230 -8.313 -11.391 326 HG1 THR 42 HG1 THR 42 2.705 -9.141 -9.376 327 HG21 THR 42 HG21 THR 42 3.968 -8.492 -13.175 328 HG22 THR 42 HG22 THR 42 3.394 -10.068 -12.619 329 HG23 THR 42 HG23 THR 42 4.969 -9.459 -12.079 330 H THR 43 H THR 43 3.787 -7.482 -8.158 331 HA THR 43 HA THR 43 1.435 -5.711 -7.737 332 HB THR 43 HB THR 43 2.993 -7.591 -5.931 333 HG1 THR 43 HG1 THR 43 0.410 -7.760 -7.106 334 HG21 THR 43 HG21 THR 43 1.130 -7.394 -4.354 335 HG22 THR 43 HG22 THR 43 0.400 -6.106 -5.345 336 HG23 THR 43 HG23 THR 43 1.960 -5.854 -4.530 337 H ARG 44 H ARG 44 1.639 -3.613 -7.072 338 HA ARG 44 HA ARG 44 4.076 -2.730 -5.604 339 HB2 ARG 44 HB2 ARG 44 4.529 -2.737 -8.073 340 HB3 ARG 44 HB3 ARG 44 3.245 -1.550 -8.282 341 HG2 ARG 44 HG2 ARG 44 4.515 0.087 -6.927 342 HG3 ARG 44 HG3 ARG 44 5.763 -1.141 -6.607 343 HD2 ARG 44 HD2 ARG 44 6.159 -1.331 -9.066 344 HD3 ARG 44 HD3 ARG 44 4.982 -0.056 -9.357 345 HE ARG 44 HE ARG 44 7.718 0.200 -8.287 346 HH11 ARG 44 HH11 ARG 44 4.716 1.961 -8.744 347 HH12 ARG 44 HH12 ARG 44 5.533 3.496 -8.824 348 HH21 ARG 44 HH21 ARG 44 8.680 2.182 -8.387 349 HH22 ARG 44 HH22 ARG 44 7.719 3.610 -8.626 350 H LEU 45 H LEU 45 3.954 -0.817 -4.518 351 HA LEU 45 HA LEU 45 1.251 0.402 -4.143 352 HB2 LEU 45 HB2 LEU 45 3.508 -0.261 -2.231 353 HB3 LEU 45 HB3 LEU 45 2.413 1.046 -1.864 354 HG LEU 45 HG LEU 45 1.842 -0.987 -0.686 355 HD11 LEU 45 HD11 LEU 45 -0.307 -0.146 -2.661 356 HD12 LEU 45 HD12 LEU 45 0.122 0.704 -1.163 357 HD13 LEU 45 HD13 LEU 45 -0.559 -0.929 -1.090 358 HD21 LEU 45 HD21 LEU 45 2.445 -2.668 -2.412 359 HD22 LEU 45 HD22 LEU 45 1.013 -2.176 -3.349 360 HD23 LEU 45 HD23 LEU 45 0.818 -2.898 -1.742 361 H THR 46 H THR 46 1.038 2.603 -3.979 362 HA THR 46 HA THR 46 3.396 4.402 -4.340 363 HB THR 46 HB THR 46 0.908 4.373 -6.083 364 HG1 THR 46 HG1 THR 46 3.640 3.851 -6.626 365 HG21 THR 46 HG21 THR 46 3.296 6.259 -6.181 366 HG22 THR 46 HG22 THR 46 1.609 6.699 -5.809 367 HG23 THR 46 HG23 THR 46 2.035 6.123 -7.422 368 H TYR 47 H TYR 47 3.207 6.437 -3.462 369 HA TYR 47 HA TYR 47 0.685 7.319 -2.146 370 HB2 TYR 47 HB2 TYR 47 1.775 6.045 -0.438 371 HB3 TYR 47 HB3 TYR 47 3.347 6.725 -0.841 372 HD1 TYR 47 HD1 TYR 47 0.019 8.331 -0.004 373 HD2 TYR 47 HD2 TYR 47 4.192 7.859 0.977 374 HE1 TYR 47 HE1 TYR 47 -0.230 9.969 1.856 375 HE2 TYR 47 HE2 TYR 47 3.940 9.492 2.833 376 HH TYR 47 HH TYR 47 2.511 10.875 3.975 377 H LYS 48 H LYS 48 0.429 9.517 -2.252 378 HA LYS 48 HA LYS 48 0.700 11.635 -3.103 379 HB2 LYS 48 HB2 LYS 48 3.399 11.290 -1.744 380 HB3 LYS 48 HB3 LYS 48 2.783 12.835 -2.292 381 HG2 LYS 48 HG2 LYS 48 0.877 11.368 -0.534 382 HG3 LYS 48 HG3 LYS 48 2.427 11.735 0.217 383 HD2 LYS 48 HD2 LYS 48 0.836 13.494 0.693 384 HD3 LYS 48 HD3 LYS 48 2.165 14.122 -0.294 385 HE2 LYS 48 HE2 LYS 48 0.728 13.942 -2.327 386 HE3 LYS 48 HE3 LYS 48 -0.594 13.307 -1.332 387 HZ1 LYS 48 HZ1 LYS 48 -0.828 15.699 -1.711 388 HZ2 LYS 48 HZ2 LYS 48 0.623 16.006 -1.035 389 HZ3 LYS 48 HZ3 LYS 48 -0.599 15.426 -0.120 390 H GLY 49 H GLY 49 1.244 9.582 -5.010 391 HA2 GLY 49 HA2 GLY 49 1.873 9.429 -7.224 392 HA3 GLY 49 HA3 GLY 49 2.466 11.088 -7.156 393 H ARG 50 H ARG 50 3.847 8.912 -4.823 394 HA ARG 50 HA ARG 50 6.339 8.499 -6.418 395 HB2 ARG 50 HB2 ARG 50 6.384 10.597 -5.077 396 HB3 ARG 50 HB3 ARG 50 6.093 9.662 -3.608 397 HG2 ARG 50 HG2 ARG 50 8.271 8.603 -3.768 398 HG3 ARG 50 HG3 ARG 50 8.507 9.221 -5.413 399 HD2 ARG 50 HD2 ARG 50 9.834 10.531 -3.872 400 HD3 ARG 50 HD3 ARG 50 8.567 11.531 -4.565 401 HE ARG 50 HE ARG 50 7.327 11.426 -2.483 402 HH11 ARG 50 HH11 ARG 50 10.623 10.272 -2.131 403 HH12 ARG 50 HH12 ARG 50 10.632 10.579 -0.417 404 HH21 ARG 50 HH21 ARG 50 7.410 11.766 -0.305 405 HH22 ARG 50 HH22 ARG 50 8.859 11.395 0.581 406 H ALA 51 H ALA 51 7.755 6.853 -5.618 407 HA ALA 51 HA ALA 51 6.385 4.507 -4.590 408 HB1 ALA 51 HB1 ALA 51 8.168 4.376 -6.289 409 HB2 ALA 51 HB2 ALA 51 9.342 5.024 -5.123 410 HB3 ALA 51 HB3 ALA 51 8.584 3.442 -4.838 411 H LEU 52 H LEU 52 6.274 3.760 -2.567 412 HA LEU 52 HA LEU 52 7.823 5.024 -0.355 413 HB2 LEU 52 HB2 LEU 52 6.368 3.608 1.108 414 HB3 LEU 52 HB3 LEU 52 5.590 4.954 0.312 415 HG LEU 52 HG LEU 52 5.374 2.269 -1.064 416 HD11 LEU 52 HD11 LEU 52 3.790 3.025 1.430 417 HD12 LEU 52 HD12 LEU 52 4.911 1.661 1.261 418 HD13 LEU 52 HD13 LEU 52 3.413 1.678 0.332 419 HD21 LEU 52 HD21 LEU 52 4.314 4.414 -1.944 420 HD22 LEU 52 HD22 LEU 52 3.332 4.432 -0.465 421 HD23 LEU 52 HD23 LEU 52 3.160 3.112 -1.619 422 H LYS 53 H LYS 53 9.579 4.066 0.398 423 HA LYS 53 HA LYS 53 9.854 1.221 0.741 424 HB2 LYS 53 HB2 LYS 53 10.448 1.634 -1.753 425 HB3 LYS 53 HB3 LYS 53 11.900 2.437 -1.167 426 HG2 LYS 53 HG2 LYS 53 12.654 0.396 -0.083 427 HG3 LYS 53 HG3 LYS 53 11.109 -0.411 -0.374 428 HD2 LYS 53 HD2 LYS 53 13.018 0.499 -2.571 429 HD3 LYS 53 HD3 LYS 53 12.966 -1.132 -1.884 430 HE2 LYS 53 HE2 LYS 53 10.569 -1.332 -2.567 431 HE3 LYS 53 HE3 LYS 53 10.665 0.259 -3.330 432 HZ1 LYS 53 HZ1 LYS 53 12.295 -2.104 -4.105 433 HZ2 LYS 53 HZ2 LYS 53 12.393 -0.632 -4.807 434 HZ3 LYS 53 HZ3 LYS 53 11.028 -1.515 -4.945 435 H ASP 54 H ASP 54 11.537 0.685 2.145 436 HA ASP 54 HA ASP 54 12.857 0.944 3.951 437 HB2 ASP 54 HB2 ASP 54 14.275 2.928 2.155 438 HB3 ASP 54 HB3 ASP 54 14.966 2.136 3.570 439 H THR 55 H THR 55 10.504 2.801 4.024 440 HA THR 55 HA THR 55 11.355 5.168 5.490 441 HB THR 55 HB THR 55 8.995 5.519 5.916 442 HG1 THR 55 HG1 THR 55 7.491 3.977 5.268 443 HG21 THR 55 HG21 THR 55 8.132 5.689 3.679 444 HG22 THR 55 HG22 THR 55 9.209 4.411 3.082 445 HG23 THR 55 HG23 THR 55 9.878 5.979 3.577 446 H GLU 56 H GLU 56 10.910 1.916 6.378 447 HA GLU 56 HA GLU 56 10.736 0.671 8.225 448 HB2 GLU 56 HB2 GLU 56 11.649 3.058 9.855 449 HB3 GLU 56 HB3 GLU 56 11.523 1.378 10.386 450 HG2 GLU 56 HG2 GLU 56 13.124 0.760 8.503 451 HG3 GLU 56 HG3 GLU 56 13.411 2.487 8.271 452 H THR 57 H THR 57 9.331 3.866 9.092 453 HA THR 57 HA THR 57 6.680 2.633 9.331 454 HB THR 57 HB THR 57 6.127 3.526 11.481 455 HG1 THR 57 HG1 THR 57 7.818 4.389 12.809 456 HG21 THR 57 HG21 THR 57 7.166 1.267 11.535 457 HG22 THR 57 HG22 THR 57 7.399 2.187 13.031 458 HG23 THR 57 HG23 THR 57 8.738 2.026 11.878 459 H LEU 58 H LEU 58 4.941 4.210 9.291 460 HA LEU 58 HA LEU 58 5.538 6.725 7.949 461 HB2 LEU 58 HB2 LEU 58 3.080 5.378 9.070 462 HB3 LEU 58 HB3 LEU 58 3.027 7.114 8.861 463 HG LEU 58 HG LEU 58 2.056 5.895 6.970 464 HD11 LEU 58 HD11 LEU 58 2.980 8.173 6.673 465 HD12 LEU 58 HD12 LEU 58 3.064 7.202 5.196 466 HD13 LEU 58 HD13 LEU 58 4.529 7.476 6.154 467 HD21 LEU 58 HD21 LEU 58 3.416 4.738 5.330 468 HD22 LEU 58 HD22 LEU 58 3.583 3.942 6.905 469 HD23 LEU 58 HD23 LEU 58 4.884 4.991 6.294 470 H GLU 59 H GLU 59 5.114 5.800 11.364 471 HA GLU 59 HA GLU 59 4.912 8.441 12.423 472 HB2 GLU 59 HB2 GLU 59 4.357 6.362 13.610 473 HB3 GLU 59 HB3 GLU 59 6.072 5.944 13.713 474 HG2 GLU 59 HG2 GLU 59 6.496 7.928 15.101 475 HG3 GLU 59 HG3 GLU 59 4.841 8.490 14.860 476 H SER 60 H SER 60 7.790 6.579 11.468 477 HA SER 60 HA SER 60 9.762 8.301 12.601 478 HB2 SER 60 HB2 SER 60 10.102 5.983 11.719 479 HB3 SER 60 HB3 SER 60 9.965 6.619 10.071 480 HG SER 60 HG SER 60 11.818 7.886 10.463 481 H LEU 61 H LEU 61 7.749 8.750 9.773 482 HA LEU 61 HA LEU 61 9.395 11.070 8.831 483 HB2 LEU 61 HB2 LEU 61 7.209 9.502 7.417 484 HB3 LEU 61 HB3 LEU 61 8.149 10.826 6.732 485 HG LEU 61 HG LEU 61 9.246 8.097 7.569 486 HD11 LEU 61 HD11 LEU 61 9.614 7.824 5.144 487 HD12 LEU 61 HD12 LEU 61 8.833 9.387 4.839 488 HD13 LEU 61 HD13 LEU 61 7.895 8.038 5.522 489 HD21 LEU 61 HD21 LEU 61 11.340 8.833 6.450 490 HD22 LEU 61 HD22 LEU 61 10.991 9.803 7.881 491 HD23 LEU 61 HD23 LEU 61 10.661 10.467 6.264 492 H GLY 62 H GLY 62 6.153 10.198 9.938 493 HA2 GLY 62 HA2 GLY 62 5.170 12.212 11.284 494 HA3 GLY 62 HA3 GLY 62 5.183 13.012 9.711 495 H VAL 63 H VAL 63 3.777 10.395 11.597 496 HA VAL 63 HA VAL 63 1.935 9.474 9.549 497 HB VAL 63 HB VAL 63 2.799 8.003 11.300 498 HG11 VAL 63 HG11 VAL 63 0.979 9.468 13.253 499 HG12 VAL 63 HG12 VAL 63 1.945 8.017 13.574 500 HG13 VAL 63 HG13 VAL 63 2.750 9.556 13.252 501 HG21 VAL 63 HG21 VAL 63 0.678 7.463 10.128 502 HG22 VAL 63 HG22 VAL 63 0.785 6.780 11.758 503 HG23 VAL 63 HG23 VAL 63 -0.224 8.209 11.473 504 H ALA 64 H ALA 64 -0.294 9.760 9.387 505 HA ALA 64 HA ALA 64 -1.698 11.724 11.075 506 HB1 ALA 64 HB1 ALA 64 -0.532 13.082 9.348 507 HB2 ALA 64 HB2 ALA 64 -1.302 12.113 8.073 508 HB3 ALA 64 HB3 ALA 64 -2.287 13.135 9.139 509 H ASP 65 H ASP 65 -4.005 12.054 9.991 510 HA ASP 65 HA ASP 65 -5.168 9.433 9.200 511 HB2 ASP 65 HB2 ASP 65 -7.315 10.395 9.784 512 HB3 ASP 65 HB3 ASP 65 -6.212 10.419 11.151 513 H GLY 66 H GLY 66 -6.460 9.273 7.365 514 HA2 GLY 66 HA2 GLY 66 -7.508 9.882 5.389 515 HA3 GLY 66 HA3 GLY 66 -7.004 11.557 5.608 516 H ASP 67 H ASP 67 -4.277 9.571 5.855 517 HA ASP 67 HA ASP 67 -3.155 10.243 3.283 518 HB2 ASP 67 HB2 ASP 67 -2.347 8.036 5.209 519 HB3 ASP 67 HB3 ASP 67 -1.397 8.620 3.847 520 H LYS 68 H LYS 68 -2.841 8.932 1.426 521 HA LYS 68 HA LYS 68 -4.679 6.606 1.203 522 HB2 LYS 68 HB2 LYS 68 -5.632 7.434 -0.840 523 HB3 LYS 68 HB3 LYS 68 -5.871 8.580 0.472 524 HG2 LYS 68 HG2 LYS 68 -3.814 9.862 -0.466 525 HG3 LYS 68 HG3 LYS 68 -3.911 8.766 -1.843 526 HD2 LYS 68 HD2 LYS 68 -5.141 10.453 -2.698 527 HD3 LYS 68 HD3 LYS 68 -6.462 9.601 -1.914 528 HE2 LYS 68 HE2 LYS 68 -4.900 11.981 -0.777 529 HE3 LYS 68 HE3 LYS 68 -6.455 12.089 -1.596 530 HZ1 LYS 68 HZ1 LYS 68 -6.791 12.119 0.767 531 HZ2 LYS 68 HZ2 LYS 68 -5.982 10.734 1.011 532 HZ3 LYS 68 HZ3 LYS 68 -7.414 10.725 0.201 533 H PHE 69 H PHE 69 -4.132 4.941 0.014 534 HA PHE 69 HA PHE 69 -1.378 4.961 -1.188 535 HB2 PHE 69 HB2 PHE 69 -2.613 2.739 0.457 536 HB3 PHE 69 HB3 PHE 69 -0.972 2.821 -0.164 537 HD1 PHE 69 HD1 PHE 69 -0.183 5.634 0.644 538 HD2 PHE 69 HD2 PHE 69 -2.324 2.558 2.777 539 HE1 PHE 69 HE1 PHE 69 0.565 6.608 2.794 540 HE2 PHE 69 HE2 PHE 69 -1.550 3.522 4.927 541 HZ PHE 69 HZ PHE 69 -0.121 5.559 4.943 542 H VAL 70 H VAL 70 -1.438 4.524 -3.276 543 HA VAL 70 HA VAL 70 -3.720 3.053 -4.468 544 HB VAL 70 HB VAL 70 -1.327 4.352 -5.809 545 HG11 VAL 70 HG11 VAL 70 -3.916 3.228 -6.972 546 HG12 VAL 70 HG12 VAL 70 -2.691 4.146 -7.875 547 HG13 VAL 70 HG13 VAL 70 -2.284 2.566 -7.210 548 HG21 VAL 70 HG21 VAL 70 -4.202 5.329 -5.518 549 HG22 VAL 70 HG22 VAL 70 -2.770 6.047 -4.749 550 HG23 VAL 70 HG23 VAL 70 -2.940 6.095 -6.504 551 H LEU 71 H LEU 71 -3.682 0.987 -4.998 552 HA LEU 71 HA LEU 71 -1.104 -0.542 -4.957 553 HB2 LEU 71 HB2 LEU 71 -2.327 -1.323 -3.118 554 HB3 LEU 71 HB3 LEU 71 -3.868 -1.168 -3.935 555 HG LEU 71 HG LEU 71 -3.379 -3.120 -5.353 556 HD11 LEU 71 HD11 LEU 71 -0.854 -2.947 -5.374 557 HD12 LEU 71 HD12 LEU 71 -1.468 -4.546 -4.984 558 HD13 LEU 71 HD13 LEU 71 -0.858 -3.486 -3.689 559 HD21 LEU 71 HD21 LEU 71 -4.499 -3.391 -3.164 560 HD22 LEU 71 HD22 LEU 71 -2.926 -3.678 -2.398 561 HD23 LEU 71 HD23 LEU 71 -3.552 -4.814 -3.619 562 H ILE 72 H ILE 72 -0.470 -1.128 -6.896 563 HA ILE 72 HA ILE 72 -2.489 -1.684 -9.025 564 HB ILE 72 HB ILE 72 -0.893 -1.113 -10.695 565 HG12 ILE 72 HG12 ILE 72 1.047 -0.301 -8.493 566 HG13 ILE 72 HG13 ILE 72 1.193 -1.748 -9.498 567 HG21 ILE 72 HG21 ILE 72 -2.398 0.629 -9.667 568 HG22 ILE 72 HG22 ILE 72 -1.013 1.172 -8.691 569 HG23 ILE 72 HG23 ILE 72 -0.959 1.278 -10.461 570 HD11 ILE 72 HD11 ILE 72 2.664 -0.063 -10.374 571 HD12 ILE 72 HD12 ILE 72 1.340 -0.298 -11.530 572 HD13 ILE 72 HD13 ILE 72 1.361 1.130 -10.464 573 H THR 73 H THR 73 -2.076 -3.348 -10.498 574 HA THR 73 HA THR 73 -0.166 -5.466 -9.745 575 HB THR 73 HB THR 73 -2.257 -5.965 -8.516 576 HG1 THR 73 HG1 THR 73 -2.271 -8.094 -9.188 577 HG21 THR 73 HG21 THR 73 -3.463 -6.419 -11.289 578 HG22 THR 73 HG22 THR 73 -3.940 -5.138 -10.153 579 HG23 THR 73 HG23 THR 73 -4.198 -6.838 -9.732 580 H ARG 74 H ARG 74 -0.196 -7.241 -11.424 581 HA ARG 74 HA ARG 74 -0.564 -6.287 -14.208 582 HB2 ARG 74 HB2 ARG 74 1.528 -5.221 -13.108 583 HB3 ARG 74 HB3 ARG 74 2.200 -6.844 -13.083 584 HG2 ARG 74 HG2 ARG 74 1.961 -6.877 -15.622 585 HG3 ARG 74 HG3 ARG 74 1.433 -5.179 -15.502 586 HD2 ARG 74 HD2 ARG 74 3.645 -4.880 -14.083 587 HD3 ARG 74 HD3 ARG 74 4.119 -6.422 -14.780 588 HE ARG 74 HE ARG 74 4.134 -5.444 -16.990 589 HH11 ARG 74 HH11 ARG 74 3.864 -3.019 -14.476 590 HH12 ARG 74 HH12 ARG 74 4.349 -1.735 -15.551 591 HH21 ARG 74 HH21 ARG 74 4.555 -3.785 -18.327 592 HH22 ARG 74 HH22 ARG 74 4.779 -2.174 -17.667 593 H THR 75 H THR 75 -0.464 -7.955 -15.708 594 HA THR 75 HA THR 75 0.207 -10.724 -14.762 595 HB THR 75 HB THR 75 -1.727 -11.572 -16.023 596 HG1 THR 75 HG1 THR 75 -3.298 -10.103 -16.703 597 HG21 THR 75 HG21 THR 75 -3.477 -10.969 -14.465 598 HG22 THR 75 HG22 THR 75 -2.620 -9.496 -13.971 599 HG23 THR 75 HG23 THR 75 -1.951 -11.095 -13.575 600 H VAL 76 H VAL 76 -0.049 -8.547 -17.570 601 HA VAL 76 HA VAL 76 1.903 -10.233 -19.054 602 HB VAL 76 HB VAL 76 -0.711 -9.183 -20.223 603 HG11 VAL 76 HG11 VAL 76 1.593 -10.693 -21.548 604 HG12 VAL 76 HG12 VAL 76 0.013 -10.368 -22.295 605 HG13 VAL 76 HG13 VAL 76 1.076 -9.026 -21.901 606 HG21 VAL 76 HG21 VAL 76 -1.102 -11.245 -18.956 607 HG22 VAL 76 HG22 VAL 76 -1.186 -11.589 -20.682 608 HG23 VAL 76 HG23 VAL 76 0.271 -12.037 -19.764 609 H GLY 77 H GLY 77 3.370 -9.104 -20.236 610 HA2 GLY 77 HA2 GLY 77 4.598 -7.348 -21.080 611 HA3 GLY 77 HA3 GLY 77 3.091 -6.437 -21.216 Start of MODEL 15 1 HA MET 1 HA MET 1 -4.994 4.512 12.776 2 HB2 MET 1 HB2 MET 1 -5.974 7.387 12.682 3 HB3 MET 1 HB3 MET 1 -6.980 6.019 13.164 4 HG2 MET 1 HG2 MET 1 -6.159 6.986 15.155 5 HG3 MET 1 HG3 MET 1 -5.345 5.445 14.940 6 HE1 MET 1 HE1 MET 1 -3.547 6.000 16.772 7 HE2 MET 1 HE2 MET 1 -2.895 5.160 15.346 8 HE3 MET 1 HE3 MET 1 -1.985 6.494 16.084 9 H LYS 2 H LYS 2 -6.892 6.762 10.760 10 HA LYS 2 HA LYS 2 -7.647 4.503 9.039 11 HB2 LYS 2 HB2 LYS 2 -8.504 7.420 8.970 12 HB3 LYS 2 HB3 LYS 2 -9.122 6.137 7.924 13 HG2 LYS 2 HG2 LYS 2 -9.857 4.877 9.991 14 HG3 LYS 2 HG3 LYS 2 -9.412 6.303 10.951 15 HD2 LYS 2 HD2 LYS 2 -10.994 7.678 9.573 16 HD3 LYS 2 HD3 LYS 2 -11.462 6.209 8.689 17 HE2 LYS 2 HE2 LYS 2 -12.180 5.176 10.857 18 HE3 LYS 2 HE3 LYS 2 -11.777 6.684 11.688 19 HZ1 LYS 2 HZ1 LYS 2 -14.137 6.590 11.151 20 HZ2 LYS 2 HZ2 LYS 2 -13.835 6.402 9.561 21 HZ3 LYS 2 HZ3 LYS 2 -13.454 7.806 10.304 22 H ILE 3 H ILE 3 -7.204 4.166 6.993 23 HA ILE 3 HA ILE 3 -5.649 6.105 5.363 24 HB ILE 3 HB ILE 3 -4.442 4.249 4.298 25 HG12 ILE 3 HG12 ILE 3 -5.318 2.428 6.572 26 HG13 ILE 3 HG13 ILE 3 -6.135 2.447 5.014 27 HG21 ILE 3 HG21 ILE 3 -2.752 3.943 6.031 28 HG22 ILE 3 HG22 ILE 3 -3.384 5.592 6.059 29 HG23 ILE 3 HG23 ILE 3 -3.909 4.427 7.287 30 HD11 ILE 3 HD11 ILE 3 -4.563 0.644 5.013 31 HD12 ILE 3 HD12 ILE 3 -4.018 1.876 3.862 32 HD13 ILE 3 HD13 ILE 3 -3.229 1.720 5.455 33 H LYS 4 H LYS 4 -5.933 5.780 3.056 34 HA LYS 4 HA LYS 4 -8.427 4.301 2.268 35 HB2 LYS 4 HB2 LYS 4 -7.545 7.034 1.253 36 HB3 LYS 4 HB3 LYS 4 -8.902 6.071 0.643 37 HG2 LYS 4 HG2 LYS 4 -9.775 6.040 3.058 38 HG3 LYS 4 HG3 LYS 4 -8.563 7.262 3.429 39 HD2 LYS 4 HD2 LYS 4 -10.677 8.318 3.112 40 HD3 LYS 4 HD3 LYS 4 -9.620 8.801 1.781 41 HE2 LYS 4 HE2 LYS 4 -10.813 7.564 0.193 42 HE3 LYS 4 HE3 LYS 4 -11.413 6.405 1.386 43 HZ1 LYS 4 HZ1 LYS 4 -12.955 8.021 2.214 44 HZ2 LYS 4 HZ2 LYS 4 -13.154 7.949 0.598 45 HZ3 LYS 4 HZ3 LYS 4 -12.356 9.216 1.256 46 H ILE 5 H ILE 5 -7.480 2.486 1.521 47 HA ILE 5 HA ILE 5 -5.296 2.679 -0.455 48 HB ILE 5 HB ILE 5 -5.247 0.889 1.214 49 HG12 ILE 5 HG12 ILE 5 -5.467 -0.245 -1.608 50 HG13 ILE 5 HG13 ILE 5 -4.157 0.817 -1.095 51 HG21 ILE 5 HG21 ILE 5 -7.592 -0.352 -0.305 52 HG22 ILE 5 HG22 ILE 5 -6.701 -1.074 1.046 53 HG23 ILE 5 HG23 ILE 5 -7.688 0.361 1.319 54 HD11 ILE 5 HD11 ILE 5 -3.518 -0.792 0.680 55 HD12 ILE 5 HD12 ILE 5 -4.779 -1.910 0.099 56 HD13 ILE 5 HD13 ILE 5 -3.422 -1.479 -0.952 57 H VAL 6 H VAL 6 -5.487 2.374 -2.614 58 HA VAL 6 HA VAL 6 -8.229 2.181 -3.809 59 HB VAL 6 HB VAL 6 -6.036 4.016 -4.834 60 HG11 VAL 6 HG11 VAL 6 -7.916 5.045 -6.045 61 HG12 VAL 6 HG12 VAL 6 -7.811 3.327 -6.440 62 HG13 VAL 6 HG13 VAL 6 -9.052 3.899 -5.304 63 HG21 VAL 6 HG21 VAL 6 -8.280 4.691 -2.910 64 HG22 VAL 6 HG22 VAL 6 -6.539 4.922 -2.675 65 HG23 VAL 6 HG23 VAL 6 -7.392 5.891 -3.875 66 HA PRO 7 HA PRO 7 -5.467 -0.852 -5.855 67 HB2 PRO 7 HB2 PRO 7 -6.971 -3.111 -5.691 68 HB3 PRO 7 HB3 PRO 7 -6.024 -2.493 -4.303 69 HG2 PRO 7 HG2 PRO 7 -8.980 -2.086 -4.863 70 HG3 PRO 7 HG3 PRO 7 -8.202 -2.591 -3.331 71 HD2 PRO 7 HD2 PRO 7 -8.910 0.013 -3.861 72 HD3 PRO 7 HD3 PRO 7 -7.495 -0.411 -2.859 73 H ALA 8 H ALA 8 -5.377 -1.083 -7.996 74 HA ALA 8 HA ALA 8 -7.612 -0.538 -9.764 75 HB1 ALA 8 HB1 ALA 8 -5.269 0.121 -10.234 76 HB2 ALA 8 HB2 ALA 8 -4.809 -1.595 -10.321 77 HB3 ALA 8 HB3 ALA 8 -5.933 -0.908 -11.516 78 H VAL 9 H VAL 9 -8.460 -2.575 -8.145 79 HA VAL 9 HA VAL 9 -8.535 -5.061 -9.799 80 HB VAL 9 HB VAL 9 -7.931 -4.987 -6.814 81 HG11 VAL 9 HG11 VAL 9 -7.479 -7.414 -7.091 82 HG12 VAL 9 HG12 VAL 9 -9.159 -7.017 -7.426 83 HG13 VAL 9 HG13 VAL 9 -8.037 -7.318 -8.776 84 HG21 VAL 9 HG21 VAL 9 -5.918 -4.276 -8.028 85 HG22 VAL 9 HG22 VAL 9 -5.705 -5.901 -7.392 86 HG23 VAL 9 HG23 VAL 9 -6.066 -5.670 -9.122 87 H GLY 10 H GLY 10 -10.466 -6.195 -9.662 88 HA2 GLY 10 HA2 GLY 10 -12.684 -6.637 -9.202 89 HA3 GLY 10 HA3 GLY 10 -12.369 -6.049 -7.571 90 H GLY 11 H GLY 11 -13.564 -4.348 -6.959 91 HA2 GLY 11 HA2 GLY 11 -15.319 -2.867 -8.703 92 HA3 GLY 11 HA3 GLY 11 -14.987 -2.544 -7.000 93 H GLY 12 H GLY 12 -11.962 -2.323 -7.851 94 HA2 GLY 12 HA2 GLY 12 -10.477 -0.727 -8.557 95 HA3 GLY 12 HA3 GLY 12 -11.720 -0.085 -9.620 96 H SER 13 H SER 13 -12.781 -0.036 -6.387 97 HA SER 13 HA SER 13 -12.731 2.898 -6.399 98 HB2 SER 13 HB2 SER 13 -14.542 2.600 -4.704 99 HB3 SER 13 HB3 SER 13 -14.863 1.790 -6.243 100 HG SER 13 HG SER 13 -15.331 0.464 -4.419 101 HA PRO 14 HA PRO 14 -10.131 3.350 -2.742 102 HB2 PRO 14 HB2 PRO 14 -11.293 5.461 -1.426 103 HB3 PRO 14 HB3 PRO 14 -10.353 5.653 -2.936 104 HG2 PRO 14 HG2 PRO 14 -13.363 5.425 -2.653 105 HG3 PRO 14 HG3 PRO 14 -12.425 6.643 -3.577 106 HD2 PRO 14 HD2 PRO 14 -13.475 4.481 -4.800 107 HD3 PRO 14 HD3 PRO 14 -11.850 5.066 -5.250 108 H LEU 15 H LEU 15 -10.050 2.522 -0.722 109 HA LEU 15 HA LEU 15 -12.553 1.676 0.692 110 HB2 LEU 15 HB2 LEU 15 -9.984 0.146 0.160 111 HB3 LEU 15 HB3 LEU 15 -11.215 -0.392 1.292 112 HG LEU 15 HG LEU 15 -11.800 0.074 -1.669 113 HD11 LEU 15 HD11 LEU 15 -11.585 -2.356 -1.943 114 HD12 LEU 15 HD12 LEU 15 -11.027 -2.509 -0.260 115 HD13 LEU 15 HD13 LEU 15 -10.049 -1.624 -1.455 116 HD21 LEU 15 HD21 LEU 15 -13.715 -1.419 -1.224 117 HD22 LEU 15 HD22 LEU 15 -13.792 0.015 -0.196 118 HD23 LEU 15 HD23 LEU 15 -13.247 -1.534 0.486 119 H GLU 16 H GLU 16 -12.681 2.663 2.579 120 HA GLU 16 HA GLU 16 -10.373 3.723 4.029 121 HB2 GLU 16 HB2 GLU 16 -13.347 3.582 4.579 122 HB3 GLU 16 HB3 GLU 16 -12.195 4.108 5.823 123 HG2 GLU 16 HG2 GLU 16 -11.439 5.951 4.541 124 HG3 GLU 16 HG3 GLU 16 -12.209 5.359 3.064 125 H LEU 17 H LEU 17 -9.135 2.685 5.429 126 HA LEU 17 HA LEU 17 -10.117 0.302 6.927 127 HB2 LEU 17 HB2 LEU 17 -7.541 0.484 5.317 128 HB3 LEU 17 HB3 LEU 17 -7.897 -0.795 6.468 129 HG LEU 17 HG LEU 17 -9.512 -0.267 3.929 130 HD11 LEU 17 HD11 LEU 17 -7.446 -2.417 4.548 131 HD12 LEU 17 HD12 LEU 17 -7.197 -1.020 3.482 132 HD13 LEU 17 HD13 LEU 17 -8.394 -2.253 3.050 133 HD21 LEU 17 HD21 LEU 17 -10.844 -1.423 5.675 134 HD22 LEU 17 HD22 LEU 17 -9.539 -2.607 5.898 135 HD23 LEU 17 HD23 LEU 17 -10.434 -2.530 4.363 136 H GLU 18 H GLU 18 -9.093 -0.078 8.889 137 HA GLU 18 HA GLU 18 -7.581 2.213 10.046 138 HB2 GLU 18 HB2 GLU 18 -9.804 0.974 10.973 139 HB3 GLU 18 HB3 GLU 18 -8.607 -0.051 11.740 140 HG2 GLU 18 HG2 GLU 18 -8.775 2.997 11.929 141 HG3 GLU 18 HG3 GLU 18 -9.456 1.880 13.107 142 H VAL 19 H VAL 19 -5.449 2.007 10.547 143 HA VAL 19 HA VAL 19 -4.193 -0.692 10.669 144 HB VAL 19 HB VAL 19 -2.290 0.077 9.341 145 HG11 VAL 19 HG11 VAL 19 -4.886 0.276 7.773 146 HG12 VAL 19 HG12 VAL 19 -3.279 -0.168 7.157 147 HG13 VAL 19 HG13 VAL 19 -4.110 -1.235 8.297 148 HG21 VAL 19 HG21 VAL 19 -2.461 2.515 9.572 149 HG22 VAL 19 HG22 VAL 19 -2.454 2.041 7.871 150 HG23 VAL 19 HG23 VAL 19 -3.980 2.509 8.651 151 H ALA 20 H ALA 20 -2.315 -0.907 11.795 152 HA ALA 20 HA ALA 20 -1.968 0.708 14.120 153 HB1 ALA 20 HB1 ALA 20 -1.506 -1.716 14.019 154 HB2 ALA 20 HB2 ALA 20 -0.191 -1.431 12.854 155 HB3 ALA 20 HB3 ALA 20 -0.052 -0.837 14.519 156 HA PRO 21 HA PRO 21 0.957 3.805 12.725 157 HB2 PRO 21 HB2 PRO 21 2.532 4.171 14.951 158 HB3 PRO 21 HB3 PRO 21 0.844 4.750 14.823 159 HG2 PRO 21 HG2 PRO 21 1.866 2.196 16.110 160 HG3 PRO 21 HG3 PRO 21 0.727 3.403 16.794 161 HD2 PRO 21 HD2 PRO 21 -0.173 1.144 15.623 162 HD3 PRO 21 HD3 PRO 21 -1.023 2.694 15.363 163 H ASN 22 H ASN 22 2.181 0.754 13.977 164 HA ASN 22 HA ASN 22 4.897 1.093 12.995 165 HB2 ASN 22 HB2 ASN 22 4.087 -0.157 15.099 166 HB3 ASN 22 HB3 ASN 22 3.578 -1.451 14.013 167 HD21 ASN 22 HD21 ASN 22 5.173 -2.555 15.571 168 HD22 ASN 22 HD22 ASN 22 6.862 -2.536 15.079 169 H ALA 23 H ALA 23 3.073 1.476 10.898 170 HA ALA 23 HA ALA 23 2.768 -0.911 9.262 171 HB1 ALA 23 HB1 ALA 23 1.718 0.672 7.680 172 HB2 ALA 23 HB2 ALA 23 1.049 0.816 9.311 173 HB3 ALA 23 HB3 ALA 23 2.204 2.033 8.717 174 H THR 24 H THR 24 5.211 -1.291 9.450 175 HA THR 24 HA THR 24 7.078 0.188 7.902 176 HB THR 24 HB THR 24 7.109 -2.771 8.610 177 HG1 THR 24 HG1 THR 24 8.076 -0.459 9.927 178 HG21 THR 24 HG21 THR 24 9.380 -0.879 7.855 179 HG22 THR 24 HG22 THR 24 8.883 -2.364 7.007 180 HG23 THR 24 HG23 THR 24 9.603 -2.470 8.612 181 H VAL 25 H VAL 25 7.840 0.073 5.839 182 HA VAL 25 HA VAL 25 6.030 -0.526 3.781 183 HB VAL 25 HB VAL 25 9.042 -0.293 3.458 184 HG11 VAL 25 HG11 VAL 25 7.901 -1.048 1.401 185 HG12 VAL 25 HG12 VAL 25 6.730 0.282 1.550 186 HG13 VAL 25 HG13 VAL 25 8.442 0.616 1.233 187 HG21 VAL 25 HG21 VAL 25 6.919 1.890 3.585 188 HG22 VAL 25 HG22 VAL 25 8.260 1.645 4.723 189 HG23 VAL 25 HG23 VAL 25 8.604 2.124 3.065 190 H GLY 26 H GLY 26 8.860 -2.476 4.824 191 HA2 GLY 26 HA2 GLY 26 8.662 -4.558 2.911 192 HA3 GLY 26 HA3 GLY 26 9.358 -4.705 4.529 193 H ALA 27 H ALA 27 6.912 -4.140 6.014 194 HA ALA 27 HA ALA 27 5.756 -6.770 6.077 195 HB1 ALA 27 HB1 ALA 27 4.795 -4.194 7.400 196 HB2 ALA 27 HB2 ALA 27 4.312 -5.846 7.819 197 HB3 ALA 27 HB3 ALA 27 5.988 -5.328 8.073 198 H VAL 28 H VAL 28 4.371 -3.599 4.963 199 HA VAL 28 HA VAL 28 1.957 -4.847 3.981 200 HB VAL 28 HB VAL 28 1.971 -2.515 4.580 201 HG11 VAL 28 HG11 VAL 28 3.676 -1.994 2.107 202 HG12 VAL 28 HG12 VAL 28 2.886 -0.769 3.119 203 HG13 VAL 28 HG13 VAL 28 4.161 -1.773 3.807 204 HG21 VAL 28 HG21 VAL 28 1.325 -2.834 1.620 205 HG22 VAL 28 HG22 VAL 28 0.292 -3.378 2.962 206 HG23 VAL 28 HG23 VAL 28 0.638 -1.654 2.750 207 H ARG 29 H ARG 29 5.059 -4.114 2.356 208 HA ARG 29 HA ARG 29 4.331 -4.943 -0.278 209 HB2 ARG 29 HB2 ARG 29 6.336 -3.718 0.211 210 HB3 ARG 29 HB3 ARG 29 6.967 -4.982 1.249 211 HG2 ARG 29 HG2 ARG 29 6.463 -5.504 -1.707 212 HG3 ARG 29 HG3 ARG 29 7.908 -4.657 -1.141 213 HD2 ARG 29 HD2 ARG 29 8.356 -6.613 0.416 214 HD3 ARG 29 HD3 ARG 29 7.104 -7.509 -0.466 215 HE ARG 29 HE ARG 29 8.830 -6.515 -2.426 216 HH11 ARG 29 HH11 ARG 29 9.201 -8.678 0.309 217 HH12 ARG 29 HH12 ARG 29 10.539 -9.521 -0.421 218 HH21 ARG 29 HH21 ARG 29 10.577 -7.617 -3.281 219 HH22 ARG 29 HH22 ARG 29 11.278 -8.942 -2.403 220 H THR 30 H THR 30 5.689 -6.955 2.391 221 HA THR 30 HA THR 30 5.442 -9.433 0.945 222 HB THR 30 HB THR 30 5.680 -8.784 3.895 223 HG1 THR 30 HG1 THR 30 7.472 -10.067 2.108 224 HG21 THR 30 HG21 THR 30 5.727 -11.533 2.571 225 HG22 THR 30 HG22 THR 30 4.627 -10.978 3.854 226 HG23 THR 30 HG23 THR 30 6.347 -11.177 4.202 227 H LYS 31 H LYS 31 3.145 -7.786 3.180 228 HA LYS 31 HA LYS 31 1.164 -9.836 3.165 229 HB2 LYS 31 HB2 LYS 31 1.363 -7.726 4.659 230 HB3 LYS 31 HB3 LYS 31 0.645 -6.842 3.325 231 HG2 LYS 31 HG2 LYS 31 -1.245 -7.250 4.488 232 HG3 LYS 31 HG3 LYS 31 -1.265 -8.741 3.562 233 HD2 LYS 31 HD2 LYS 31 -0.119 -8.377 6.376 234 HD3 LYS 31 HD3 LYS 31 -1.726 -8.992 6.038 235 HE2 LYS 31 HE2 LYS 31 0.840 -10.359 5.108 236 HE3 LYS 31 HE3 LYS 31 0.029 -10.714 6.629 237 HZ1 LYS 31 HZ1 LYS 31 -1.945 -11.374 5.406 238 HZ2 LYS 31 HZ2 LYS 31 -0.673 -12.259 4.912 239 HZ3 LYS 31 HZ3 LYS 31 -1.242 -11.055 3.965 240 H VAL 32 H VAL 32 1.526 -7.033 0.976 241 HA VAL 32 HA VAL 32 -0.644 -7.638 -0.801 242 HB VAL 32 HB VAL 32 1.945 -6.091 -1.099 243 HG11 VAL 32 HG11 VAL 32 1.458 -6.927 -3.375 244 HG12 VAL 32 HG12 VAL 32 -0.213 -6.327 -3.236 245 HG13 VAL 32 HG13 VAL 32 1.174 -5.204 -3.236 246 HG21 VAL 32 HG21 VAL 32 0.088 -5.131 0.287 247 HG22 VAL 32 HG22 VAL 32 0.437 -4.162 -1.150 248 HG23 VAL 32 HG23 VAL 32 -0.985 -5.227 -1.121 249 H CYS 33 H CYS 33 2.839 -8.575 -1.019 250 HA CYS 33 HA CYS 33 2.627 -10.044 -3.424 251 HB2 CYS 33 HB2 CYS 33 4.722 -9.288 -2.337 252 HB3 CYS 33 HB3 CYS 33 4.480 -10.472 -1.040 253 HG CYS 33 HG CYS 33 6.358 -11.311 -2.668 254 H ALA 34 H ALA 34 2.241 -11.248 -0.049 255 HA ALA 34 HA ALA 34 1.616 -13.950 -0.752 256 HB1 ALA 34 HB1 ALA 34 0.841 -14.075 1.591 257 HB2 ALA 34 HB2 ALA 34 2.394 -13.226 1.472 258 HB3 ALA 34 HB3 ALA 34 0.896 -12.301 1.715 259 H MET 35 H MET 35 -0.524 -11.108 -0.199 260 HA MET 35 HA MET 35 -3.016 -12.480 -0.461 261 HB2 MET 35 HB2 MET 35 -2.726 -10.274 0.570 262 HB3 MET 35 HB3 MET 35 -2.264 -9.576 -0.989 263 HG2 MET 35 HG2 MET 35 -4.537 -10.196 -1.870 264 HG3 MET 35 HG3 MET 35 -4.977 -10.731 -0.247 265 HE1 MET 35 HE1 MET 35 -3.607 -8.415 1.637 266 HE2 MET 35 HE2 MET 35 -5.019 -7.350 1.770 267 HE3 MET 35 HE3 MET 35 -5.234 -9.113 1.833 268 H LYS 36 H LYS 36 -1.035 -10.763 -2.906 269 HA LYS 36 HA LYS 36 -2.811 -11.370 -5.133 270 HB2 LYS 36 HB2 LYS 36 0.049 -10.334 -4.904 271 HB3 LYS 36 HB3 LYS 36 -0.728 -10.558 -6.459 272 HG2 LYS 36 HG2 LYS 36 -2.174 -8.875 -4.400 273 HG3 LYS 36 HG3 LYS 36 -0.741 -8.217 -5.177 274 HD2 LYS 36 HD2 LYS 36 -2.751 -7.514 -6.359 275 HD3 LYS 36 HD3 LYS 36 -1.698 -8.492 -7.389 276 HE2 LYS 36 HE2 LYS 36 -3.161 -10.473 -6.970 277 HE3 LYS 36 HE3 LYS 36 -4.229 -9.457 -5.987 278 HZ1 LYS 36 HZ1 LYS 36 -5.034 -9.657 -8.271 279 HZ2 LYS 36 HZ2 LYS 36 -3.641 -9.065 -8.877 280 HZ3 LYS 36 HZ3 LYS 36 -4.622 -8.103 -7.989 281 H LYS 37 H LYS 37 -0.090 -13.023 -3.709 282 HA LYS 37 HA LYS 37 1.117 -14.837 -4.177 283 HB2 LYS 37 HB2 LYS 37 -1.304 -15.819 -4.156 284 HB3 LYS 37 HB3 LYS 37 -1.101 -15.968 -5.895 285 HG2 LYS 37 HG2 LYS 37 -0.525 -18.070 -5.022 286 HG3 LYS 37 HG3 LYS 37 1.034 -17.333 -5.386 287 HD2 LYS 37 HD2 LYS 37 1.152 -16.634 -2.921 288 HD3 LYS 37 HD3 LYS 37 -0.284 -17.619 -2.648 289 HE2 LYS 37 HE2 LYS 37 2.395 -18.590 -3.754 290 HE3 LYS 37 HE3 LYS 37 1.851 -18.776 -2.086 291 HZ1 LYS 37 HZ1 LYS 37 0.548 -20.017 -4.450 292 HZ2 LYS 37 HZ2 LYS 37 0.008 -20.154 -2.911 293 HZ3 LYS 37 HZ3 LYS 37 1.446 -20.794 -3.336 294 H LEU 38 H LEU 38 1.504 -12.578 -5.760 295 HA LEU 38 HA LEU 38 3.003 -13.719 -8.017 296 HB2 LEU 38 HB2 LEU 38 0.759 -11.690 -8.317 297 HB3 LEU 38 HB3 LEU 38 2.180 -11.581 -9.315 298 HG LEU 38 HG LEU 38 1.629 -14.224 -9.713 299 HD11 LEU 38 HD11 LEU 38 -0.505 -14.159 -8.467 300 HD12 LEU 38 HD12 LEU 38 -0.790 -14.416 -10.188 301 HD13 LEU 38 HD13 LEU 38 -1.070 -12.811 -9.475 302 HD21 LEU 38 HD21 LEU 38 0.663 -13.515 -11.866 303 HD22 LEU 38 HD22 LEU 38 2.092 -12.560 -11.446 304 HD23 LEU 38 HD23 LEU 38 0.473 -11.859 -11.239 305 HA PRO 39 HA PRO 39 6.072 -11.087 -6.478 306 HB2 PRO 39 HB2 PRO 39 7.744 -10.663 -8.615 307 HB3 PRO 39 HB3 PRO 39 7.496 -12.270 -7.867 308 HG2 PRO 39 HG2 PRO 39 6.103 -11.119 -10.308 309 HG3 PRO 39 HG3 PRO 39 6.925 -12.706 -10.156 310 HD2 PRO 39 HD2 PRO 39 4.244 -12.478 -9.849 311 HD3 PRO 39 HD3 PRO 39 5.192 -13.581 -8.807 312 HA PRO 40 HA PRO 40 5.207 -6.818 -6.904 313 HB2 PRO 40 HB2 PRO 40 7.595 -5.540 -6.382 314 HB3 PRO 40 HB3 PRO 40 6.617 -6.399 -5.154 315 HG2 PRO 40 HG2 PRO 40 8.971 -7.480 -6.743 316 HG3 PRO 40 HG3 PRO 40 8.717 -7.538 -4.966 317 HD2 PRO 40 HD2 PRO 40 8.089 -9.652 -6.503 318 HD3 PRO 40 HD3 PRO 40 6.992 -9.162 -5.179 319 H ASP 41 H ASP 41 7.444 -8.164 -9.175 320 HA ASP 41 HA ASP 41 7.750 -5.899 -10.946 321 HB2 ASP 41 HB2 ASP 41 7.765 -8.885 -11.527 322 HB3 ASP 41 HB3 ASP 41 8.338 -7.622 -12.614 323 H THR 42 H THR 42 5.049 -8.026 -10.308 324 HA THR 42 HA THR 42 3.611 -7.133 -12.780 325 HB THR 42 HB THR 42 2.047 -8.891 -12.406 326 HG1 THR 42 HG1 THR 42 3.529 -9.451 -10.046 327 HG21 THR 42 HG21 THR 42 3.419 -10.870 -12.694 328 HG22 THR 42 HG22 THR 42 4.845 -10.040 -12.039 329 HG23 THR 42 HG23 THR 42 4.137 -9.513 -13.579 330 H THR 43 H THR 43 3.520 -6.781 -9.277 331 HA THR 43 HA THR 43 1.314 -4.817 -9.567 332 HB THR 43 HB THR 43 1.342 -7.027 -7.483 333 HG1 THR 43 HG1 THR 43 0.490 -7.603 -9.498 334 HG21 THR 43 HG21 THR 43 -0.827 -6.038 -6.751 335 HG22 THR 43 HG22 THR 43 -0.539 -4.645 -7.809 336 HG23 THR 43 HG23 THR 43 0.532 -4.966 -6.423 337 H ARG 44 H ARG 44 1.762 -2.951 -8.586 338 HA ARG 44 HA ARG 44 3.769 -2.844 -6.378 339 HB2 ARG 44 HB2 ARG 44 5.015 -1.069 -7.446 340 HB3 ARG 44 HB3 ARG 44 5.005 -2.512 -8.452 341 HG2 ARG 44 HG2 ARG 44 3.204 -1.507 -9.862 342 HG3 ARG 44 HG3 ARG 44 3.285 -0.026 -8.892 343 HD2 ARG 44 HD2 ARG 44 5.600 -1.222 -10.473 344 HD3 ARG 44 HD3 ARG 44 4.535 0.069 -11.057 345 HE ARG 44 HE ARG 44 5.551 0.952 -8.586 346 HH11 ARG 44 HH11 ARG 44 6.880 0.239 -11.748 347 HH12 ARG 44 HH12 ARG 44 8.193 1.369 -11.551 348 HH21 ARG 44 HH21 ARG 44 7.261 2.368 -8.397 349 HH22 ARG 44 HH22 ARG 44 8.393 2.538 -9.707 350 H LEU 45 H LEU 45 3.950 -0.652 -5.419 351 HA LEU 45 HA LEU 45 1.251 0.545 -4.991 352 HB2 LEU 45 HB2 LEU 45 1.640 -1.356 -3.474 353 HB3 LEU 45 HB3 LEU 45 3.153 -0.650 -2.940 354 HG LEU 45 HG LEU 45 2.001 1.181 -1.820 355 HD11 LEU 45 HD11 LEU 45 -0.463 0.069 -3.187 356 HD12 LEU 45 HD12 LEU 45 0.068 1.751 -2.997 357 HD13 LEU 45 HD13 LEU 45 -0.612 0.870 -1.624 358 HD21 LEU 45 HD21 LEU 45 0.871 -0.118 -0.090 359 HD22 LEU 45 HD22 LEU 45 2.295 -1.000 -0.661 360 HD23 LEU 45 HD23 LEU 45 0.674 -1.492 -1.202 361 H THR 46 H THR 46 1.223 2.701 -4.630 362 HA THR 46 HA THR 46 3.705 4.106 -3.772 363 HB THR 46 HB THR 46 3.363 5.919 -5.372 364 HG1 THR 46 HG1 THR 46 1.532 4.190 -6.638 365 HG21 THR 46 HG21 THR 46 4.955 4.109 -5.965 366 HG22 THR 46 HG22 THR 46 4.208 4.872 -7.378 367 HG23 THR 46 HG23 THR 46 3.656 3.271 -6.842 368 H TYR 47 H TYR 47 3.408 6.223 -2.997 369 HA TYR 47 HA TYR 47 0.774 6.896 -1.769 370 HB2 TYR 47 HB2 TYR 47 1.827 5.641 -0.044 371 HB3 TYR 47 HB3 TYR 47 3.413 6.227 -0.473 372 HD1 TYR 47 HD1 TYR 47 0.157 7.859 0.610 373 HD2 TYR 47 HD2 TYR 47 4.444 7.618 1.028 374 HE1 TYR 47 HE1 TYR 47 0.098 9.659 2.330 375 HE2 TYR 47 HE2 TYR 47 4.377 9.395 2.760 376 HH TYR 47 HH TYR 47 3.065 10.855 3.942 377 H LYS 48 H LYS 48 0.372 9.038 -1.927 378 HA LYS 48 HA LYS 48 0.579 11.211 -2.591 379 HB2 LYS 48 HB2 LYS 48 1.950 10.757 -0.253 380 HB3 LYS 48 HB3 LYS 48 3.180 11.591 -1.164 381 HG2 LYS 48 HG2 LYS 48 0.328 12.553 -0.628 382 HG3 LYS 48 HG3 LYS 48 1.738 13.042 0.291 383 HD2 LYS 48 HD2 LYS 48 1.253 13.651 -2.658 384 HD3 LYS 48 HD3 LYS 48 0.977 14.767 -1.332 385 HE2 LYS 48 HE2 LYS 48 3.696 13.572 -2.038 386 HE3 LYS 48 HE3 LYS 48 3.115 15.139 -2.596 387 HZ1 LYS 48 HZ1 LYS 48 4.490 15.398 -0.634 388 HZ2 LYS 48 HZ2 LYS 48 3.540 14.414 0.253 389 HZ3 LYS 48 HZ3 LYS 48 2.969 15.855 -0.271 390 H GLY 49 H GLY 49 1.571 9.441 -4.557 391 HA2 GLY 49 HA2 GLY 49 2.461 9.653 -6.683 392 HA3 GLY 49 HA3 GLY 49 3.055 11.261 -6.280 393 H ARG 50 H ARG 50 4.194 8.951 -4.012 394 HA ARG 50 HA ARG 50 6.793 8.535 -5.461 395 HB2 ARG 50 HB2 ARG 50 6.273 9.096 -2.505 396 HB3 ARG 50 HB3 ARG 50 7.834 8.637 -3.168 397 HG2 ARG 50 HG2 ARG 50 6.321 11.201 -3.838 398 HG3 ARG 50 HG3 ARG 50 7.688 11.034 -2.734 399 HD2 ARG 50 HD2 ARG 50 9.006 10.085 -4.758 400 HD3 ARG 50 HD3 ARG 50 7.676 10.676 -5.752 401 HE ARG 50 HE ARG 50 8.325 12.887 -5.371 402 HH11 ARG 50 HH11 ARG 50 10.300 10.833 -3.320 403 HH12 ARG 50 HH12 ARG 50 11.409 12.123 -2.945 404 HH21 ARG 50 HH21 ARG 50 9.782 14.482 -4.843 405 HH22 ARG 50 HH22 ARG 50 11.116 14.128 -3.784 406 H ALA 51 H ALA 51 7.918 6.629 -5.087 407 HA ALA 51 HA ALA 51 6.409 4.294 -4.088 408 HB1 ALA 51 HB1 ALA 51 8.434 3.054 -4.733 409 HB2 ALA 51 HB2 ALA 51 7.850 4.064 -6.071 410 HB3 ALA 51 HB3 ALA 51 9.263 4.577 -5.121 411 H LEU 52 H LEU 52 6.447 3.645 -2.014 412 HA LEU 52 HA LEU 52 8.203 4.859 0.008 413 HB2 LEU 52 HB2 LEU 52 6.058 2.710 0.011 414 HB3 LEU 52 HB3 LEU 52 7.067 2.984 1.420 415 HG LEU 52 HG LEU 52 5.464 5.241 0.172 416 HD11 LEU 52 HD11 LEU 52 3.901 3.449 0.806 417 HD12 LEU 52 HD12 LEU 52 3.769 4.816 1.923 418 HD13 LEU 52 HD13 LEU 52 4.645 3.350 2.419 419 HD21 LEU 52 HD21 LEU 52 5.678 6.190 2.477 420 HD22 LEU 52 HD22 LEU 52 7.257 5.943 1.721 421 HD23 LEU 52 HD23 LEU 52 6.671 4.798 2.945 422 H LYS 53 H LYS 53 10.023 4.019 0.861 423 HA LYS 53 HA LYS 53 10.621 1.227 0.900 424 HB2 LYS 53 HB2 LYS 53 11.419 2.210 -1.513 425 HB3 LYS 53 HB3 LYS 53 12.797 2.717 -0.568 426 HG2 LYS 53 HG2 LYS 53 13.343 0.597 -1.506 427 HG3 LYS 53 HG3 LYS 53 13.082 0.327 0.208 428 HD2 LYS 53 HD2 LYS 53 12.086 -1.493 -1.065 429 HD3 LYS 53 HD3 LYS 53 10.817 -0.589 -0.266 430 HE2 LYS 53 HE2 LYS 53 10.025 -1.101 -2.445 431 HE3 LYS 53 HE3 LYS 53 10.359 0.627 -2.423 432 HZ1 LYS 53 HZ1 LYS 53 12.471 0.151 -3.576 433 HZ2 LYS 53 HZ2 LYS 53 11.218 -0.434 -4.437 434 HZ3 LYS 53 HZ3 LYS 53 12.152 -1.452 -3.573 435 H ASP 54 H ASP 54 12.046 0.720 2.480 436 HA ASP 54 HA ASP 54 13.196 0.907 4.397 437 HB2 ASP 54 HB2 ASP 54 14.852 1.360 2.539 438 HB3 ASP 54 HB3 ASP 54 14.772 3.066 2.968 439 H THR 55 H THR 55 10.836 2.683 4.318 440 HA THR 55 HA THR 55 11.446 5.156 5.637 441 HB THR 55 HB THR 55 8.755 3.766 5.459 442 HG1 THR 55 HG1 THR 55 10.070 5.391 3.542 443 HG21 THR 55 HG21 THR 55 8.548 5.815 6.730 444 HG22 THR 55 HG22 THR 55 7.897 6.096 5.114 445 HG23 THR 55 HG23 THR 55 9.512 6.714 5.536 446 H GLU 56 H GLU 56 11.162 2.035 6.957 447 HA GLU 56 HA GLU 56 10.831 1.073 8.954 448 HB2 GLU 56 HB2 GLU 56 11.902 3.714 9.920 449 HB3 GLU 56 HB3 GLU 56 11.339 2.519 11.071 450 HG2 GLU 56 HG2 GLU 56 13.328 1.724 8.920 451 HG3 GLU 56 HG3 GLU 56 13.850 2.601 10.361 452 H THR 57 H THR 57 9.418 4.304 9.715 453 HA THR 57 HA THR 57 6.757 3.055 10.028 454 HB THR 57 HB THR 57 6.355 3.914 12.244 455 HG1 THR 57 HG1 THR 57 8.151 4.712 13.467 456 HG21 THR 57 HG21 THR 57 8.951 2.342 12.401 457 HG22 THR 57 HG22 THR 57 7.351 1.629 12.103 458 HG23 THR 57 HG23 THR 57 7.674 2.464 13.629 459 H LEU 58 H LEU 58 5.017 4.536 10.093 460 HA LEU 58 HA LEU 58 5.490 7.119 8.802 461 HB2 LEU 58 HB2 LEU 58 2.982 5.838 9.953 462 HB3 LEU 58 HB3 LEU 58 3.014 7.334 9.025 463 HG LEU 58 HG LEU 58 3.864 4.601 7.959 464 HD11 LEU 58 HD11 LEU 58 1.388 6.272 7.386 465 HD12 LEU 58 HD12 LEU 58 1.439 4.783 8.357 466 HD13 LEU 58 HD13 LEU 58 1.815 4.722 6.628 467 HD21 LEU 58 HD21 LEU 58 5.082 6.372 6.775 468 HD22 LEU 58 HD22 LEU 58 3.574 7.290 6.545 469 HD23 LEU 58 HD23 LEU 58 3.815 5.727 5.734 470 H GLU 59 H GLU 59 5.301 6.059 12.129 471 HA GLU 59 HA GLU 59 4.797 8.606 13.371 472 HB2 GLU 59 HB2 GLU 59 6.450 6.229 14.328 473 HB3 GLU 59 HB3 GLU 59 6.006 7.634 15.309 474 HG2 GLU 59 HG2 GLU 59 3.567 7.104 14.778 475 HG3 GLU 59 HG3 GLU 59 4.139 5.561 14.128 476 H SER 60 H SER 60 7.757 7.215 11.942 477 HA SER 60 HA SER 60 9.600 9.176 12.912 478 HB2 SER 60 HB2 SER 60 10.141 6.973 11.814 479 HB3 SER 60 HB3 SER 60 9.707 7.695 10.256 480 HG SER 60 HG SER 60 11.382 9.206 10.537 481 H LEU 61 H LEU 61 7.151 9.369 10.424 482 HA LEU 61 HA LEU 61 8.145 11.964 9.368 483 HB2 LEU 61 HB2 LEU 61 5.705 10.332 8.574 484 HB3 LEU 61 HB3 LEU 61 6.365 11.724 7.726 485 HG LEU 61 HG LEU 61 7.720 9.000 8.013 486 HD11 LEU 61 HD11 LEU 61 7.301 8.809 5.609 487 HD12 LEU 61 HD12 LEU 61 6.487 10.391 5.602 488 HD13 LEU 61 HD13 LEU 61 5.780 9.022 6.491 489 HD21 LEU 61 HD21 LEU 61 9.351 9.880 6.358 490 HD22 LEU 61 HD22 LEU 61 9.429 10.767 7.883 491 HD23 LEU 61 HD23 LEU 61 8.604 11.489 6.483 492 H GLY 62 H GLY 62 6.131 10.877 11.898 493 HA2 GLY 62 HA2 GLY 62 4.693 11.919 13.336 494 HA3 GLY 62 HA3 GLY 62 5.246 13.467 12.690 495 H VAL 63 H VAL 63 3.771 11.231 10.452 496 HA VAL 63 HA VAL 63 1.877 13.277 9.718 497 HB VAL 63 HB VAL 63 3.187 11.965 8.117 498 HG11 VAL 63 HG11 VAL 63 3.005 9.720 9.145 499 HG12 VAL 63 HG12 VAL 63 1.286 9.662 8.705 500 HG13 VAL 63 HG13 VAL 63 2.527 9.724 7.442 501 HG21 VAL 63 HG21 VAL 63 1.482 11.748 6.428 502 HG22 VAL 63 HG22 VAL 63 0.200 11.681 7.642 503 HG23 VAL 63 HG23 VAL 63 1.143 13.177 7.417 504 H ALA 64 H ALA 64 -0.332 13.266 9.595 505 HA ALA 64 HA ALA 64 -1.771 11.886 11.726 506 HB1 ALA 64 HB1 ALA 64 -2.686 13.899 9.627 507 HB2 ALA 64 HB2 ALA 64 -3.554 13.448 11.110 508 HB3 ALA 64 HB3 ALA 64 -2.013 14.308 11.224 509 H ASP 65 H ASP 65 -4.242 11.438 10.963 510 HA ASP 65 HA ASP 65 -4.269 9.028 9.330 511 HB2 ASP 65 HB2 ASP 65 -6.659 9.031 9.834 512 HB3 ASP 65 HB3 ASP 65 -5.708 9.280 11.290 513 H GLY 66 H GLY 66 -5.821 8.721 7.556 514 HA2 GLY 66 HA2 GLY 66 -7.099 9.399 5.718 515 HA3 GLY 66 HA3 GLY 66 -6.612 11.076 5.947 516 H ASP 67 H ASP 67 -3.932 8.913 5.947 517 HA ASP 67 HA ASP 67 -2.870 9.802 3.415 518 HB2 ASP 67 HB2 ASP 67 -2.133 7.409 5.140 519 HB3 ASP 67 HB3 ASP 67 -1.236 7.940 3.719 520 H LYS 68 H LYS 68 -2.721 8.785 1.440 521 HA LYS 68 HA LYS 68 -4.593 6.523 0.969 522 HB2 LYS 68 HB2 LYS 68 -5.505 7.610 -0.973 523 HB3 LYS 68 HB3 LYS 68 -5.704 8.606 0.463 524 HG2 LYS 68 HG2 LYS 68 -3.538 9.855 -0.342 525 HG3 LYS 68 HG3 LYS 68 -3.787 8.999 -1.865 526 HD2 LYS 68 HD2 LYS 68 -4.775 11.150 -2.108 527 HD3 LYS 68 HD3 LYS 68 -6.121 10.007 -1.951 528 HE2 LYS 68 HE2 LYS 68 -6.332 10.606 0.464 529 HE3 LYS 68 HE3 LYS 68 -4.949 11.693 0.318 530 HZ1 LYS 68 HZ1 LYS 68 -7.043 12.903 0.154 531 HZ2 LYS 68 HZ2 LYS 68 -7.524 12.018 -1.129 532 HZ3 LYS 68 HZ3 LYS 68 -6.243 13.024 -1.261 533 H PHE 69 H PHE 69 -4.046 4.971 -0.337 534 HA PHE 69 HA PHE 69 -1.319 5.055 -1.589 535 HB2 PHE 69 HB2 PHE 69 -2.517 2.629 -0.239 536 HB3 PHE 69 HB3 PHE 69 -0.863 2.891 -0.771 537 HD1 PHE 69 HD1 PHE 69 -0.335 5.597 0.542 538 HD2 PHE 69 HD2 PHE 69 -2.138 1.966 1.990 539 HE1 PHE 69 HE1 PHE 69 0.386 6.161 2.851 540 HE2 PHE 69 HE2 PHE 69 -1.392 2.521 4.290 541 HZ PHE 69 HZ PHE 69 -0.151 4.629 4.730 542 H VAL 70 H VAL 70 -1.201 4.254 -3.673 543 HA VAL 70 HA VAL 70 -3.688 2.983 -4.767 544 HB VAL 70 HB VAL 70 -3.421 5.152 -5.688 545 HG11 VAL 70 HG11 VAL 70 -1.598 5.827 -7.129 546 HG12 VAL 70 HG12 VAL 70 -0.949 5.436 -5.533 547 HG13 VAL 70 HG13 VAL 70 -0.762 4.286 -6.878 548 HG21 VAL 70 HG21 VAL 70 -3.502 4.589 -8.065 549 HG22 VAL 70 HG22 VAL 70 -2.736 3.019 -7.758 550 HG23 VAL 70 HG23 VAL 70 -4.356 3.372 -7.114 551 H LEU 71 H LEU 71 -3.614 0.998 -5.342 552 HA LEU 71 HA LEU 71 -0.997 -0.394 -5.704 553 HB2 LEU 71 HB2 LEU 71 -2.801 -1.132 -3.947 554 HB3 LEU 71 HB3 LEU 71 -3.697 -1.704 -5.336 555 HG LEU 71 HG LEU 71 -1.190 -2.818 -5.812 556 HD11 LEU 71 HD11 LEU 71 -0.452 -2.124 -3.551 557 HD12 LEU 71 HD12 LEU 71 -0.556 -3.877 -3.693 558 HD13 LEU 71 HD13 LEU 71 -1.823 -2.986 -2.827 559 HD21 LEU 71 HD21 LEU 71 -3.317 -4.002 -6.078 560 HD22 LEU 71 HD22 LEU 71 -3.560 -4.020 -4.314 561 HD23 LEU 71 HD23 LEU 71 -2.228 -4.940 -5.041 562 H ILE 72 H ILE 72 -0.420 -0.845 -7.765 563 HA ILE 72 HA ILE 72 -2.536 -0.980 -9.871 564 HB ILE 72 HB ILE 72 -1.404 1.118 -10.054 565 HG12 ILE 72 HG12 ILE 72 -0.525 -0.753 -12.301 566 HG13 ILE 72 HG13 ILE 72 -2.176 -0.176 -12.065 567 HG21 ILE 72 HG21 ILE 72 1.205 -0.385 -10.520 568 HG22 ILE 72 HG22 ILE 72 0.965 1.372 -10.541 569 HG23 ILE 72 HG23 ILE 72 0.798 0.493 -9.027 570 HD11 ILE 72 HD11 ILE 72 0.249 1.546 -12.710 571 HD12 ILE 72 HD12 ILE 72 -1.120 1.168 -13.762 572 HD13 ILE 72 HD13 ILE 72 -1.372 2.178 -12.325 573 H THR 73 H THR 73 -2.585 -2.634 -11.161 574 HA THR 73 HA THR 73 -0.476 -4.743 -11.006 575 HB THR 73 HB THR 73 -2.456 -5.503 -9.881 576 HG1 THR 73 HG1 THR 73 -2.812 -7.327 -11.099 577 HG21 THR 73 HG21 THR 73 -4.606 -5.839 -11.075 578 HG22 THR 73 HG22 THR 73 -3.987 -4.923 -12.461 579 HG23 THR 73 HG23 THR 73 -4.227 -4.126 -10.890 580 H ARG 74 H ARG 74 0.022 -5.878 -12.850 581 HA ARG 74 HA ARG 74 -1.012 -4.905 -15.488 582 HB2 ARG 74 HB2 ARG 74 1.264 -4.011 -15.034 583 HB3 ARG 74 HB3 ARG 74 1.868 -5.663 -14.829 584 HG2 ARG 74 HG2 ARG 74 1.250 -6.180 -17.181 585 HG3 ARG 74 HG3 ARG 74 0.595 -4.539 -17.371 586 HD2 ARG 74 HD2 ARG 74 2.847 -3.605 -16.895 587 HD3 ARG 74 HD3 ARG 74 3.488 -5.254 -16.728 588 HE ARG 74 HE ARG 74 2.200 -5.057 -19.254 589 HH11 ARG 74 HH11 ARG 74 5.087 -3.780 -17.734 590 HH12 ARG 74 HH12 ARG 74 5.915 -3.589 -19.255 591 HH21 ARG 74 HH21 ARG 74 3.307 -4.779 -21.158 592 HH22 ARG 74 HH22 ARG 74 4.925 -4.142 -21.142 593 H THR 75 H THR 75 -1.893 -6.466 -16.671 594 HA THR 75 HA THR 75 -1.891 -9.247 -15.822 595 HB THR 75 HB THR 75 -3.234 -9.609 -17.894 596 HG1 THR 75 HG1 THR 75 -3.894 -7.799 -19.041 597 HG21 THR 75 HG21 THR 75 -5.215 -8.391 -17.134 598 HG22 THR 75 HG22 THR 75 -4.211 -7.300 -16.152 599 HG23 THR 75 HG23 THR 75 -4.322 -9.026 -15.743 600 H VAL 76 H VAL 76 -1.013 -11.007 -16.807 601 HA VAL 76 HA VAL 76 1.042 -10.629 -18.951 602 HB VAL 76 HB VAL 76 1.510 -12.086 -16.324 603 HG11 VAL 76 HG11 VAL 76 3.358 -11.659 -18.711 604 HG12 VAL 76 HG12 VAL 76 3.849 -12.327 -17.140 605 HG13 VAL 76 HG13 VAL 76 2.707 -13.215 -18.144 606 HG21 VAL 76 HG21 VAL 76 3.295 -10.381 -15.964 607 HG22 VAL 76 HG22 VAL 76 2.727 -9.506 -17.402 608 HG23 VAL 76 HG23 VAL 76 1.685 -9.671 -15.971 609 H GLY 77 H GLY 77 -0.964 -12.951 -17.119 610 HA2 GLY 77 HA2 GLY 77 -2.159 -14.803 -17.872 611 HA3 GLY 77 HA3 GLY 77 -1.569 -14.524 -19.509 Start of MODEL 16 1 HA MET 1 HA MET 1 -5.852 7.414 12.400 2 HB2 MET 1 HB2 MET 1 -3.374 5.671 12.542 3 HB3 MET 1 HB3 MET 1 -3.762 6.549 11.066 4 HG2 MET 1 HG2 MET 1 -2.255 7.882 12.372 5 HG3 MET 1 HG3 MET 1 -3.815 8.674 12.259 6 HE1 MET 1 HE1 MET 1 -1.066 7.182 14.543 7 HE2 MET 1 HE2 MET 1 -1.896 6.887 16.085 8 HE3 MET 1 HE3 MET 1 -2.250 5.858 14.678 9 H LYS 2 H LYS 2 -6.706 7.254 10.400 10 HA LYS 2 HA LYS 2 -7.377 4.529 9.328 11 HB2 LYS 2 HB2 LYS 2 -8.851 7.176 9.107 12 HB3 LYS 2 HB3 LYS 2 -9.180 5.797 8.056 13 HG2 LYS 2 HG2 LYS 2 -9.729 4.371 9.932 14 HG3 LYS 2 HG3 LYS 2 -9.342 5.650 11.097 15 HD2 LYS 2 HD2 LYS 2 -11.556 5.786 9.005 16 HD3 LYS 2 HD3 LYS 2 -11.787 5.338 10.698 17 HE2 LYS 2 HE2 LYS 2 -10.925 7.564 11.411 18 HE3 LYS 2 HE3 LYS 2 -10.721 8.026 9.715 19 HZ1 LYS 2 HZ1 LYS 2 -12.819 8.847 10.613 20 HZ2 LYS 2 HZ2 LYS 2 -13.323 7.339 10.973 21 HZ3 LYS 2 HZ3 LYS 2 -13.114 7.785 9.410 22 H ILE 3 H ILE 3 -6.901 4.003 7.343 23 HA ILE 3 HA ILE 3 -5.646 5.975 5.493 24 HB ILE 3 HB ILE 3 -4.284 4.160 4.547 25 HG12 ILE 3 HG12 ILE 3 -5.037 2.459 6.956 26 HG13 ILE 3 HG13 ILE 3 -5.777 2.262 5.370 27 HG21 ILE 3 HG21 ILE 3 -3.362 5.729 6.212 28 HG22 ILE 3 HG22 ILE 3 -3.747 4.591 7.514 29 HG23 ILE 3 HG23 ILE 3 -2.557 4.159 6.266 30 HD11 ILE 3 HD11 ILE 3 -3.560 1.802 4.370 31 HD12 ILE 3 HD12 ILE 3 -2.833 1.878 5.996 32 HD13 ILE 3 HD13 ILE 3 -4.034 0.631 5.614 33 H LYS 4 H LYS 4 -5.935 5.427 3.206 34 HA LYS 4 HA LYS 4 -8.311 3.670 2.641 35 HB2 LYS 4 HB2 LYS 4 -7.731 6.329 1.293 36 HB3 LYS 4 HB3 LYS 4 -9.045 5.210 0.916 37 HG2 LYS 4 HG2 LYS 4 -9.903 5.526 3.280 38 HG3 LYS 4 HG3 LYS 4 -8.636 6.730 3.531 39 HD2 LYS 4 HD2 LYS 4 -10.600 7.943 3.040 40 HD3 LYS 4 HD3 LYS 4 -9.584 8.050 1.596 41 HE2 LYS 4 HE2 LYS 4 -10.930 6.233 0.534 42 HE3 LYS 4 HE3 LYS 4 -11.914 6.109 1.999 43 HZ1 LYS 4 HZ1 LYS 4 -11.738 8.513 0.255 44 HZ2 LYS 4 HZ2 LYS 4 -12.623 8.422 1.625 45 HZ3 LYS 4 HZ3 LYS 4 -13.010 7.494 0.342 46 H ILE 5 H ILE 5 -7.524 1.910 1.690 47 HA ILE 5 HA ILE 5 -5.203 2.129 -0.161 48 HB ILE 5 HB ILE 5 -6.616 -0.404 0.718 49 HG12 ILE 5 HG12 ILE 5 -4.182 1.005 1.911 50 HG13 ILE 5 HG13 ILE 5 -5.726 0.708 2.710 51 HG21 ILE 5 HG21 ILE 5 -3.847 0.061 -0.503 52 HG22 ILE 5 HG22 ILE 5 -4.578 -1.512 -0.114 53 HG23 ILE 5 HG23 ILE 5 -5.249 -0.540 -1.402 54 HD11 ILE 5 HD11 ILE 5 -5.297 -1.764 2.536 55 HD12 ILE 5 HD12 ILE 5 -3.650 -1.376 1.971 56 HD13 ILE 5 HD13 ILE 5 -4.175 -0.869 3.580 57 H VAL 6 H VAL 6 -5.347 1.867 -2.343 58 HA VAL 6 HA VAL 6 -8.052 1.416 -3.554 59 HB VAL 6 HB VAL 6 -6.067 3.403 -4.682 60 HG11 VAL 6 HG11 VAL 6 -8.049 4.181 -5.905 61 HG12 VAL 6 HG12 VAL 6 -7.786 2.464 -6.219 62 HG13 VAL 6 HG13 VAL 6 -9.060 2.971 -5.090 63 HG21 VAL 6 HG21 VAL 6 -8.336 3.935 -2.746 64 HG22 VAL 6 HG22 VAL 6 -6.624 4.349 -2.550 65 HG23 VAL 6 HG23 VAL 6 -7.586 5.176 -3.777 66 HA PRO 7 HA PRO 7 -5.041 -1.517 -5.448 67 HB2 PRO 7 HB2 PRO 7 -6.366 -3.853 -5.102 68 HB3 PRO 7 HB3 PRO 7 -5.442 -3.080 -3.777 69 HG2 PRO 7 HG2 PRO 7 -8.431 -2.968 -4.278 70 HG3 PRO 7 HG3 PRO 7 -7.573 -3.269 -2.737 71 HD2 PRO 7 HD2 PRO 7 -8.544 -0.793 -3.511 72 HD3 PRO 7 HD3 PRO 7 -7.143 -1.007 -2.427 73 H ALA 8 H ALA 8 -5.075 -1.863 -7.615 74 HA ALA 8 HA ALA 8 -7.396 -1.281 -9.223 75 HB1 ALA 8 HB1 ALA 8 -5.836 -1.575 -11.083 76 HB2 ALA 8 HB2 ALA 8 -5.075 -0.637 -9.788 77 HB3 ALA 8 HB3 ALA 8 -4.656 -2.355 -10.005 78 H VAL 9 H VAL 9 -7.959 -3.545 -7.565 79 HA VAL 9 HA VAL 9 -8.515 -5.725 -9.512 80 HB VAL 9 HB VAL 9 -7.203 -6.200 -6.805 81 HG11 VAL 9 HG11 VAL 9 -8.655 -8.072 -7.378 82 HG12 VAL 9 HG12 VAL 9 -7.990 -8.127 -9.031 83 HG13 VAL 9 HG13 VAL 9 -6.980 -8.555 -7.642 84 HG21 VAL 9 HG21 VAL 9 -6.018 -6.482 -9.594 85 HG22 VAL 9 HG22 VAL 9 -5.497 -5.346 -8.327 86 HG23 VAL 9 HG23 VAL 9 -5.263 -7.075 -8.101 87 H GLY 10 H GLY 10 -10.362 -6.979 -8.982 88 HA2 GLY 10 HA2 GLY 10 -12.356 -7.520 -7.975 89 HA3 GLY 10 HA3 GLY 10 -11.713 -6.862 -6.468 90 H GLY 11 H GLY 11 -12.177 -4.967 -9.425 91 HA2 GLY 11 HA2 GLY 11 -14.082 -3.619 -9.995 92 HA3 GLY 11 HA3 GLY 11 -14.559 -3.551 -8.303 93 H GLY 12 H GLY 12 -11.363 -2.993 -8.004 94 HA2 GLY 12 HA2 GLY 12 -9.896 -1.231 -8.158 95 HA3 GLY 12 HA3 GLY 12 -10.963 -0.470 -9.322 96 H SER 13 H SER 13 -12.653 -1.009 -6.416 97 HA SER 13 HA SER 13 -12.931 1.838 -6.000 98 HB2 SER 13 HB2 SER 13 -14.049 -0.537 -4.464 99 HB3 SER 13 HB3 SER 13 -14.467 1.150 -4.138 100 HG SER 13 HG SER 13 -14.890 -0.279 -6.573 101 HA PRO 14 HA PRO 14 -10.101 2.434 -2.531 102 HB2 PRO 14 HB2 PRO 14 -11.283 4.526 -1.224 103 HB3 PRO 14 HB3 PRO 14 -10.462 4.725 -2.799 104 HG2 PRO 14 HG2 PRO 14 -13.427 4.343 -2.304 105 HG3 PRO 14 HG3 PRO 14 -12.623 5.588 -3.314 106 HD2 PRO 14 HD2 PRO 14 -13.636 3.315 -4.393 107 HD3 PRO 14 HD3 PRO 14 -12.105 4.013 -5.001 108 H LEU 15 H LEU 15 -9.929 1.695 -0.455 109 HA LEU 15 HA LEU 15 -12.376 0.915 1.091 110 HB2 LEU 15 HB2 LEU 15 -9.817 -0.672 0.669 111 HB3 LEU 15 HB3 LEU 15 -11.095 -1.110 1.796 112 HG LEU 15 HG LEU 15 -11.460 -0.927 -1.233 113 HD11 LEU 15 HD11 LEU 15 -9.913 -2.731 -0.601 114 HD12 LEU 15 HD12 LEU 15 -11.455 -3.379 -1.180 115 HD13 LEU 15 HD13 LEU 15 -11.102 -3.358 0.563 116 HD21 LEU 15 HD21 LEU 15 -13.540 -2.205 -0.800 117 HD22 LEU 15 HD22 LEU 15 -13.590 -0.628 -0.012 118 HD23 LEU 15 HD23 LEU 15 -13.257 -2.084 0.951 119 H GLU 16 H GLU 16 -12.447 2.140 2.834 120 HA GLU 16 HA GLU 16 -10.061 3.268 4.102 121 HB2 GLU 16 HB2 GLU 16 -12.146 4.559 3.855 122 HB3 GLU 16 HB3 GLU 16 -12.984 3.407 4.903 123 HG2 GLU 16 HG2 GLU 16 -11.526 4.024 6.791 124 HG3 GLU 16 HG3 GLU 16 -10.551 5.050 5.733 125 H LEU 17 H LEU 17 -9.035 2.551 5.920 126 HA LEU 17 HA LEU 17 -10.230 0.472 7.646 127 HB2 LEU 17 HB2 LEU 17 -9.279 -0.649 5.625 128 HB3 LEU 17 HB3 LEU 17 -7.697 -0.020 6.021 129 HG LEU 17 HG LEU 17 -8.988 -1.487 8.276 130 HD11 LEU 17 HD11 LEU 17 -8.290 -3.004 5.724 131 HD12 LEU 17 HD12 LEU 17 -9.914 -2.814 6.424 132 HD13 LEU 17 HD13 LEU 17 -8.679 -3.725 7.304 133 HD21 LEU 17 HD21 LEU 17 -6.580 -0.828 8.178 134 HD22 LEU 17 HD22 LEU 17 -6.344 -1.922 6.803 135 HD23 LEU 17 HD23 LEU 17 -6.801 -2.568 8.397 136 H GLU 18 H GLU 18 -9.353 0.350 9.692 137 HA GLU 18 HA GLU 18 -7.655 2.572 10.593 138 HB2 GLU 18 HB2 GLU 18 -8.975 0.277 12.090 139 HB3 GLU 18 HB3 GLU 18 -8.041 1.574 12.843 140 HG2 GLU 18 HG2 GLU 18 -9.626 3.252 11.969 141 HG3 GLU 18 HG3 GLU 18 -10.599 1.968 11.233 142 H VAL 19 H VAL 19 -5.537 2.496 11.173 143 HA VAL 19 HA VAL 19 -4.150 -0.117 11.492 144 HB VAL 19 HB VAL 19 -2.268 0.580 10.107 145 HG11 VAL 19 HG11 VAL 19 -4.817 0.625 8.470 146 HG12 VAL 19 HG12 VAL 19 -3.198 0.114 7.951 147 HG13 VAL 19 HG13 VAL 19 -4.077 -0.840 9.156 148 HG21 VAL 19 HG21 VAL 19 -2.493 3.025 10.139 149 HG22 VAL 19 HG22 VAL 19 -2.465 2.418 8.481 150 HG23 VAL 19 HG23 VAL 19 -4.007 2.914 9.213 151 H ALA 20 H ALA 20 -2.142 -0.060 12.533 152 HA ALA 20 HA ALA 20 -1.851 1.910 14.639 153 HB1 ALA 20 HB1 ALA 20 0.085 0.478 15.264 154 HB2 ALA 20 HB2 ALA 20 -1.364 -0.494 14.958 155 HB3 ALA 20 HB3 ALA 20 -0.076 -0.408 13.735 156 HA PRO 21 HA PRO 21 1.063 4.674 12.565 157 HB2 PRO 21 HB2 PRO 21 2.629 5.532 14.654 158 HB3 PRO 21 HB3 PRO 21 0.936 6.046 14.418 159 HG2 PRO 21 HG2 PRO 21 1.985 3.830 16.210 160 HG3 PRO 21 HG3 PRO 21 0.842 5.146 16.635 161 HD2 PRO 21 HD2 PRO 21 -0.027 2.668 15.968 162 HD3 PRO 21 HD3 PRO 21 -0.922 4.119 15.440 163 H ASN 22 H ASN 22 2.131 1.871 14.331 164 HA ASN 22 HA ASN 22 4.903 1.902 13.440 165 HB2 ASN 22 HB2 ASN 22 3.210 -0.270 14.742 166 HB3 ASN 22 HB3 ASN 22 4.955 -0.340 14.527 167 HD21 ASN 22 HD21 ASN 22 3.467 -0.487 17.037 168 HD22 ASN 22 HD22 ASN 22 4.066 0.859 17.997 169 H ALA 23 H ALA 23 2.275 1.507 11.508 170 HA ALA 23 HA ALA 23 2.664 -0.939 10.161 171 HB1 ALA 23 HB1 ALA 23 1.623 1.723 9.105 172 HB2 ALA 23 HB2 ALA 23 1.411 0.143 8.323 173 HB3 ALA 23 HB3 ALA 23 0.667 0.452 9.901 174 H THR 24 H THR 24 4.073 -1.693 8.741 175 HA THR 24 HA THR 24 6.314 0.034 7.775 176 HB THR 24 HB THR 24 6.196 -2.967 8.240 177 HG1 THR 24 HG1 THR 24 7.507 -0.887 9.641 178 HG21 THR 24 HG21 THR 24 8.504 -1.167 7.401 179 HG22 THR 24 HG22 THR 24 7.850 -2.575 6.532 180 HG23 THR 24 HG23 THR 24 8.705 -2.809 8.056 181 H VAL 25 H VAL 25 6.718 0.247 5.635 182 HA VAL 25 HA VAL 25 4.768 -0.377 3.685 183 HB VAL 25 HB VAL 25 7.701 0.368 3.403 184 HG11 VAL 25 HG11 VAL 25 5.526 0.354 1.266 185 HG12 VAL 25 HG12 VAL 25 7.112 1.136 1.116 186 HG13 VAL 25 HG13 VAL 25 7.020 -0.615 1.265 187 HG21 VAL 25 HG21 VAL 25 6.866 2.615 3.029 188 HG22 VAL 25 HG22 VAL 25 5.176 2.055 3.095 189 HG23 VAL 25 HG23 VAL 25 6.195 2.038 4.547 190 H GLY 26 H GLY 26 7.806 -2.129 4.409 191 HA2 GLY 26 HA2 GLY 26 7.638 -4.102 2.365 192 HA3 GLY 26 HA3 GLY 26 8.472 -4.276 3.913 193 H ALA 27 H ALA 27 6.073 -3.994 5.592 194 HA ALA 27 HA ALA 27 5.045 -6.703 5.487 195 HB1 ALA 27 HB1 ALA 27 4.113 -4.313 7.138 196 HB2 ALA 27 HB2 ALA 27 3.705 -6.014 7.410 197 HB3 ALA 27 HB3 ALA 27 5.380 -5.471 7.609 198 H VAL 28 H VAL 28 3.659 -3.480 4.665 199 HA VAL 28 HA VAL 28 1.084 -4.411 3.812 200 HB VAL 28 HB VAL 28 2.674 -1.957 2.967 201 HG11 VAL 28 HG11 VAL 28 0.971 -2.384 1.245 202 HG12 VAL 28 HG12 VAL 28 -0.273 -2.589 2.501 203 HG13 VAL 28 HG13 VAL 28 0.498 -1.008 2.241 204 HG21 VAL 28 HG21 VAL 28 2.072 -2.032 5.381 205 HG22 VAL 28 HG22 VAL 28 1.179 -0.772 4.528 206 HG23 VAL 28 HG23 VAL 28 0.374 -2.300 4.945 207 H ARG 29 H ARG 29 4.076 -3.867 1.898 208 HA ARG 29 HA ARG 29 3.153 -4.864 -0.626 209 HB2 ARG 29 HB2 ARG 29 5.848 -4.668 0.754 210 HB3 ARG 29 HB3 ARG 29 5.724 -5.528 -0.770 211 HG2 ARG 29 HG2 ARG 29 4.490 -2.785 -0.647 212 HG3 ARG 29 HG3 ARG 29 6.247 -2.877 -0.617 213 HD2 ARG 29 HD2 ARG 29 4.554 -4.265 -2.737 214 HD3 ARG 29 HD3 ARG 29 5.203 -2.625 -2.918 215 HE ARG 29 HE ARG 29 7.372 -4.283 -2.202 216 HH11 ARG 29 HH11 ARG 29 5.243 -4.101 -4.983 217 HH12 ARG 29 HH12 ARG 29 6.463 -4.688 -6.074 218 HH21 ARG 29 HH21 ARG 29 8.901 -4.961 -3.656 219 HH22 ARG 29 HH22 ARG 29 8.497 -5.058 -5.346 220 H THR 30 H THR 30 4.795 -6.674 2.006 221 HA THR 30 HA THR 30 4.686 -9.212 0.741 222 HB THR 30 HB THR 30 4.679 -8.574 3.717 223 HG1 THR 30 HG1 THR 30 6.469 -7.765 2.768 224 HG21 THR 30 HG21 THR 30 5.752 -10.820 3.951 225 HG22 THR 30 HG22 THR 30 5.369 -11.157 2.247 226 HG23 THR 30 HG23 THR 30 4.066 -10.925 3.436 227 H LYS 31 H LYS 31 2.271 -7.690 2.926 228 HA LYS 31 HA LYS 31 0.452 -9.869 3.047 229 HB2 LYS 31 HB2 LYS 31 0.518 -7.417 4.228 230 HB3 LYS 31 HB3 LYS 31 -0.598 -7.038 2.938 231 HG2 LYS 31 HG2 LYS 31 -2.163 -7.769 4.396 232 HG3 LYS 31 HG3 LYS 31 -1.715 -9.383 3.850 233 HD2 LYS 31 HD2 LYS 31 -0.676 -7.896 6.306 234 HD3 LYS 31 HD3 LYS 31 -1.792 -9.265 6.303 235 HE2 LYS 31 HE2 LYS 31 -0.029 -10.742 5.413 236 HE3 LYS 31 HE3 LYS 31 1.094 -9.377 5.311 237 HZ1 LYS 31 HZ1 LYS 31 1.454 -10.664 7.338 238 HZ2 LYS 31 HZ2 LYS 31 -0.079 -10.414 7.837 239 HZ3 LYS 31 HZ3 LYS 31 0.963 -9.159 7.730 240 H VAL 32 H VAL 32 0.487 -7.121 0.744 241 HA VAL 32 HA VAL 32 -1.755 -8.089 -0.773 242 HB VAL 32 HB VAL 32 0.383 -6.043 -1.435 243 HG11 VAL 32 HG11 VAL 32 -0.534 -6.843 -3.570 244 HG12 VAL 32 HG12 VAL 32 -2.192 -6.707 -2.938 245 HG13 VAL 32 HG13 VAL 32 -1.202 -5.258 -3.197 246 HG21 VAL 32 HG21 VAL 32 -1.431 -4.457 -0.895 247 HG22 VAL 32 HG22 VAL 32 -2.549 -5.800 -0.592 248 HG23 VAL 32 HG23 VAL 32 -1.160 -5.523 0.476 249 H CYS 33 H CYS 33 1.796 -8.489 -1.370 250 HA CYS 33 HA CYS 33 1.521 -9.985 -3.780 251 HB2 CYS 33 HB2 CYS 33 3.618 -10.063 -1.571 252 HB3 CYS 33 HB3 CYS 33 3.765 -10.946 -3.104 253 HG CYS 33 HG CYS 33 3.689 -8.968 -4.704 254 H ALA 34 H ALA 34 1.393 -11.140 -0.360 255 HA ALA 34 HA ALA 34 1.036 -13.913 -1.050 256 HB1 ALA 34 HB1 ALA 34 1.840 -13.141 1.146 257 HB2 ALA 34 HB2 ALA 34 0.272 -12.375 1.471 258 HB3 ALA 34 HB3 ALA 34 0.386 -14.137 1.312 259 H MET 35 H MET 35 -1.343 -11.302 -0.335 260 HA MET 35 HA MET 35 -3.693 -12.920 -0.535 261 HB2 MET 35 HB2 MET 35 -3.203 -9.941 -0.899 262 HB3 MET 35 HB3 MET 35 -4.817 -10.662 -0.950 263 HG2 MET 35 HG2 MET 35 -4.715 -11.371 1.314 264 HG3 MET 35 HG3 MET 35 -2.985 -11.120 1.413 265 HE1 MET 35 HE1 MET 35 -6.150 -7.729 1.479 266 HE2 MET 35 HE2 MET 35 -5.860 -8.683 0.010 267 HE3 MET 35 HE3 MET 35 -6.523 -9.466 1.466 268 H LYS 36 H LYS 36 -1.974 -11.039 -3.062 269 HA LYS 36 HA LYS 36 -3.858 -11.909 -5.180 270 HB2 LYS 36 HB2 LYS 36 -1.266 -10.305 -5.272 271 HB3 LYS 36 HB3 LYS 36 -2.314 -10.604 -6.650 272 HG2 LYS 36 HG2 LYS 36 -3.030 -8.950 -4.188 273 HG3 LYS 36 HG3 LYS 36 -2.658 -8.376 -5.804 274 HD2 LYS 36 HD2 LYS 36 -4.949 -8.262 -5.880 275 HD3 LYS 36 HD3 LYS 36 -4.698 -9.880 -6.545 276 HE2 LYS 36 HE2 LYS 36 -4.979 -10.683 -4.060 277 HE3 LYS 36 HE3 LYS 36 -5.584 -9.063 -3.740 278 HZ1 LYS 36 HZ1 LYS 36 -7.343 -9.476 -5.384 279 HZ2 LYS 36 HZ2 LYS 36 -7.374 -10.641 -4.246 280 HZ3 LYS 36 HZ3 LYS 36 -6.750 -10.968 -5.714 281 H LYS 37 H LYS 37 -0.982 -13.206 -3.836 282 HA LYS 37 HA LYS 37 0.396 -14.905 -4.351 283 HB2 LYS 37 HB2 LYS 37 -1.953 -16.023 -4.510 284 HB3 LYS 37 HB3 LYS 37 -1.665 -16.032 -6.246 285 HG2 LYS 37 HG2 LYS 37 0.686 -17.159 -5.414 286 HG3 LYS 37 HG3 LYS 37 -0.290 -17.525 -4.010 287 HD2 LYS 37 HD2 LYS 37 -0.311 -19.405 -5.554 288 HD3 LYS 37 HD3 LYS 37 -1.928 -18.722 -5.418 289 HE2 LYS 37 HE2 LYS 37 -1.373 -19.357 -7.737 290 HE3 LYS 37 HE3 LYS 37 -1.734 -17.640 -7.594 291 HZ1 LYS 37 HZ1 LYS 37 0.248 -18.083 -8.961 292 HZ2 LYS 37 HZ2 LYS 37 1.019 -18.752 -7.689 293 HZ3 LYS 37 HZ3 LYS 37 0.625 -17.155 -7.673 294 H LEU 38 H LEU 38 0.698 -12.530 -5.857 295 HA LEU 38 HA LEU 38 1.897 -13.485 -8.425 296 HB2 LEU 38 HB2 LEU 38 0.172 -11.130 -7.806 297 HB3 LEU 38 HB3 LEU 38 1.624 -10.754 -8.710 298 HG LEU 38 HG LEU 38 1.031 -12.435 -10.436 299 HD11 LEU 38 HD11 LEU 38 -1.248 -13.334 -10.554 300 HD12 LEU 38 HD12 LEU 38 -1.623 -12.643 -8.963 301 HD13 LEU 38 HD13 LEU 38 -0.425 -13.947 -9.119 302 HD21 LEU 38 HD21 LEU 38 -0.798 -11.129 -11.440 303 HD22 LEU 38 HD22 LEU 38 0.404 -10.064 -10.703 304 HD23 LEU 38 HD23 LEU 38 -1.135 -10.368 -9.868 305 HA PRO 39 HA PRO 39 5.811 -12.236 -6.819 306 HB2 PRO 39 HB2 PRO 39 7.245 -11.605 -9.078 307 HB3 PRO 39 HB3 PRO 39 6.742 -13.271 -8.664 308 HG2 PRO 39 HG2 PRO 39 5.356 -11.312 -10.520 309 HG3 PRO 39 HG3 PRO 39 5.788 -13.022 -10.843 310 HD2 PRO 39 HD2 PRO 39 3.299 -12.319 -10.028 311 HD3 PRO 39 HD3 PRO 39 4.065 -13.823 -9.439 312 HA PRO 40 HA PRO 40 5.865 -7.891 -6.137 313 HB2 PRO 40 HB2 PRO 40 8.520 -7.287 -5.715 314 HB3 PRO 40 HB3 PRO 40 7.523 -8.254 -4.588 315 HG2 PRO 40 HG2 PRO 40 9.396 -9.255 -6.762 316 HG3 PRO 40 HG3 PRO 40 9.344 -9.747 -5.035 317 HD2 PRO 40 HD2 PRO 40 8.104 -11.213 -6.923 318 HD3 PRO 40 HD3 PRO 40 7.310 -10.933 -5.345 319 H ASP 41 H ASP 41 7.375 -9.003 -9.018 320 HA ASP 41 HA ASP 41 8.119 -6.397 -10.118 321 HB2 ASP 41 HB2 ASP 41 9.238 -8.561 -10.680 322 HB3 ASP 41 HB3 ASP 41 7.747 -9.118 -11.439 323 H THR 42 H THR 42 5.271 -8.559 -10.343 324 HA THR 42 HA THR 42 4.000 -6.957 -12.460 325 HB THR 42 HB THR 42 2.160 -8.657 -12.239 326 HG1 THR 42 HG1 THR 42 2.670 -9.258 -10.057 327 HG21 THR 42 HG21 THR 42 3.951 -8.947 -13.899 328 HG22 THR 42 HG22 THR 42 3.408 -10.500 -13.238 329 HG23 THR 42 HG23 THR 42 4.945 -9.796 -12.693 330 H THR 43 H THR 43 4.356 -6.160 -9.393 331 HA THR 43 HA THR 43 1.780 -4.739 -9.225 332 HB THR 43 HB THR 43 1.361 -6.788 -7.993 333 HG1 THR 43 HG1 THR 43 0.716 -5.787 -6.111 334 HG21 THR 43 HG21 THR 43 3.583 -5.968 -6.065 335 HG22 THR 43 HG22 THR 43 3.696 -7.309 -7.222 336 HG23 THR 43 HG23 THR 43 2.490 -7.362 -5.933 337 H ARG 44 H ARG 44 1.849 -2.790 -8.165 338 HA ARG 44 HA ARG 44 4.349 -1.897 -6.823 339 HB2 ARG 44 HB2 ARG 44 3.213 -0.639 -9.345 340 HB3 ARG 44 HB3 ARG 44 4.119 0.307 -8.169 341 HG2 ARG 44 HG2 ARG 44 6.033 -1.320 -8.391 342 HG3 ARG 44 HG3 ARG 44 5.159 -2.081 -9.742 343 HD2 ARG 44 HD2 ARG 44 5.161 0.038 -10.976 344 HD3 ARG 44 HD3 ARG 44 5.851 0.881 -9.583 345 HE ARG 44 HE ARG 44 7.363 -1.344 -10.889 346 HH11 ARG 44 HH11 ARG 44 7.267 2.083 -10.120 347 HH12 ARG 44 HH12 ARG 44 8.933 2.316 -10.573 348 HH21 ARG 44 HH21 ARG 44 9.473 -0.958 -11.455 349 HH22 ARG 44 HH22 ARG 44 10.135 0.644 -11.313 350 H LEU 45 H LEU 45 4.185 -0.196 -5.492 351 HA LEU 45 HA LEU 45 1.474 0.724 -4.628 352 HB2 LEU 45 HB2 LEU 45 2.184 -1.064 -3.157 353 HB3 LEU 45 HB3 LEU 45 3.814 -0.410 -3.054 354 HG LEU 45 HG LEU 45 2.994 1.538 -1.766 355 HD11 LEU 45 HD11 LEU 45 0.315 0.089 -1.802 356 HD12 LEU 45 HD12 LEU 45 0.652 1.664 -2.555 357 HD13 LEU 45 HD13 LEU 45 0.743 1.490 -0.798 358 HD21 LEU 45 HD21 LEU 45 3.814 -0.456 -0.609 359 HD22 LEU 45 HD22 LEU 45 2.189 -1.178 -0.652 360 HD23 LEU 45 HD23 LEU 45 2.496 0.290 0.303 361 H THR 46 H THR 46 1.311 2.900 -4.471 362 HA THR 46 HA THR 46 3.707 4.539 -3.832 363 HB THR 46 HB THR 46 3.098 6.224 -5.538 364 HG1 THR 46 HG1 THR 46 0.996 5.620 -6.009 365 HG21 THR 46 HG21 THR 46 4.092 5.146 -7.454 366 HG22 THR 46 HG22 THR 46 3.750 3.534 -6.798 367 HG23 THR 46 HG23 THR 46 4.922 4.600 -5.990 368 H TYR 47 H TYR 47 3.306 6.628 -3.071 369 HA TYR 47 HA TYR 47 0.586 7.335 -2.122 370 HB2 TYR 47 HB2 TYR 47 1.293 6.065 -0.263 371 HB3 TYR 47 HB3 TYR 47 2.954 6.588 -0.413 372 HD1 TYR 47 HD1 TYR 47 -0.441 8.115 0.279 373 HD2 TYR 47 HD2 TYR 47 3.790 8.169 1.061 374 HE1 TYR 47 HE1 TYR 47 -0.765 9.957 1.930 375 HE2 TYR 47 HE2 TYR 47 3.469 9.993 2.716 376 HH TYR 47 HH TYR 47 0.313 11.047 3.794 377 H LYS 48 H LYS 48 0.286 9.517 -1.973 378 HA LYS 48 HA LYS 48 0.576 11.714 -2.508 379 HB2 LYS 48 HB2 LYS 48 1.862 11.229 -0.257 380 HB3 LYS 48 HB3 LYS 48 3.296 11.588 -1.209 381 HG2 LYS 48 HG2 LYS 48 1.974 13.798 -1.863 382 HG3 LYS 48 HG3 LYS 48 0.906 13.349 -0.542 383 HD2 LYS 48 HD2 LYS 48 2.510 14.901 0.341 384 HD3 LYS 48 HD3 LYS 48 2.882 13.315 1.009 385 HE2 LYS 48 HE2 LYS 48 4.942 14.443 0.396 386 HE3 LYS 48 HE3 LYS 48 4.720 13.035 -0.641 387 HZ1 LYS 48 HZ1 LYS 48 4.063 15.827 -1.429 388 HZ2 LYS 48 HZ2 LYS 48 3.942 14.512 -2.401 389 HZ3 LYS 48 HZ3 LYS 48 5.404 15.026 -1.892 390 H GLY 49 H GLY 49 1.393 9.968 -4.627 391 HA2 GLY 49 HA2 GLY 49 2.243 10.161 -6.764 392 HA3 GLY 49 HA3 GLY 49 2.822 11.781 -6.382 393 H ARG 50 H ARG 50 3.948 9.243 -4.274 394 HA ARG 50 HA ARG 50 6.617 9.144 -5.616 395 HB2 ARG 50 HB2 ARG 50 6.240 10.907 -3.760 396 HB3 ARG 50 HB3 ARG 50 6.193 9.555 -2.630 397 HG2 ARG 50 HG2 ARG 50 8.511 8.938 -3.273 398 HG3 ARG 50 HG3 ARG 50 8.502 10.207 -4.520 399 HD2 ARG 50 HD2 ARG 50 8.059 11.892 -2.697 400 HD3 ARG 50 HD3 ARG 50 8.304 10.599 -1.504 401 HE ARG 50 HE ARG 50 10.581 10.544 -3.119 402 HH11 ARG 50 HH11 ARG 50 9.130 12.973 -1.043 403 HH12 ARG 50 HH12 ARG 50 10.643 13.805 -0.810 404 HH21 ARG 50 HH21 ARG 50 12.475 11.662 -2.773 405 HH22 ARG 50 HH22 ARG 50 12.479 13.072 -1.753 406 H ALA 51 H ALA 51 7.938 7.372 -5.141 407 HA ALA 51 HA ALA 51 6.580 4.880 -4.356 408 HB1 ALA 51 HB1 ALA 51 8.083 4.905 -6.296 409 HB2 ALA 51 HB2 ALA 51 9.433 5.441 -5.268 410 HB3 ALA 51 HB3 ALA 51 8.707 3.839 -5.024 411 H LEU 52 H LEU 52 6.378 4.358 -2.284 412 HA LEU 52 HA LEU 52 8.327 5.221 -0.214 413 HB2 LEU 52 HB2 LEU 52 5.506 4.262 -0.277 414 HB3 LEU 52 HB3 LEU 52 6.478 3.535 0.983 415 HG LEU 52 HG LEU 52 7.108 5.710 1.878 416 HD11 LEU 52 HD11 LEU 52 7.096 7.110 -0.142 417 HD12 LEU 52 HD12 LEU 52 6.037 7.787 1.085 418 HD13 LEU 52 HD13 LEU 52 5.343 6.903 -0.302 419 HD21 LEU 52 HD21 LEU 52 4.105 5.445 1.429 420 HD22 LEU 52 HD22 LEU 52 4.891 6.383 2.720 421 HD23 LEU 52 HD23 LEU 52 5.054 4.623 2.684 422 H LYS 53 H LYS 53 9.912 3.990 0.518 423 HA LYS 53 HA LYS 53 9.714 1.136 0.788 424 HB2 LYS 53 HB2 LYS 53 10.475 1.592 -1.716 425 HB3 LYS 53 HB3 LYS 53 12.008 2.019 -1.010 426 HG2 LYS 53 HG2 LYS 53 12.581 -0.126 -0.708 427 HG3 LYS 53 HG3 LYS 53 11.086 -0.531 0.118 428 HD2 LYS 53 HD2 LYS 53 11.325 -0.397 -2.923 429 HD3 LYS 53 HD3 LYS 53 11.605 -1.837 -1.959 430 HE2 LYS 53 HE2 LYS 53 9.439 -2.168 -2.616 431 HE3 LYS 53 HE3 LYS 53 9.241 -1.528 -0.986 432 HZ1 LYS 53 HZ1 LYS 53 8.980 0.087 -3.479 433 HZ2 LYS 53 HZ2 LYS 53 8.640 0.619 -1.962 434 HZ3 LYS 53 HZ3 LYS 53 7.719 -0.524 -2.647 435 H ASP 54 H ASP 54 11.324 0.288 2.153 436 HA ASP 54 HA ASP 54 12.683 0.281 3.938 437 HB2 ASP 54 HB2 ASP 54 14.195 0.534 1.928 438 HB3 ASP 54 HB3 ASP 54 14.390 2.231 2.364 439 H THR 55 H THR 55 10.567 2.300 4.168 440 HA THR 55 HA THR 55 11.627 4.595 5.621 441 HB THR 55 HB THR 55 9.237 5.075 6.057 442 HG1 THR 55 HG1 THR 55 8.315 3.104 6.229 443 HG21 THR 55 HG21 THR 55 9.590 4.226 3.151 444 HG22 THR 55 HG22 THR 55 10.298 5.703 3.841 445 HG23 THR 55 HG23 THR 55 8.538 5.496 3.807 446 H GLU 56 H GLU 56 10.743 1.400 6.491 447 HA GLU 56 HA GLU 56 10.432 0.192 8.329 448 HB2 GLU 56 HB2 GLU 56 12.628 1.191 8.950 449 HB3 GLU 56 HB3 GLU 56 11.759 2.353 9.970 450 HG2 GLU 56 HG2 GLU 56 10.750 0.462 11.238 451 HG3 GLU 56 HG3 GLU 56 11.630 -0.683 10.221 452 H THR 57 H THR 57 9.559 3.558 9.255 453 HA THR 57 HA THR 57 6.782 2.674 9.723 454 HB THR 57 HB THR 57 6.528 3.868 11.830 455 HG1 THR 57 HG1 THR 57 9.347 4.043 11.846 456 HG21 THR 57 HG21 THR 57 7.021 1.440 11.958 457 HG22 THR 57 HG22 THR 57 7.576 2.346 13.376 458 HG23 THR 57 HG23 THR 57 8.746 1.813 12.152 459 H LEU 58 H LEU 58 5.244 4.332 9.563 460 HA LEU 58 HA LEU 58 5.973 6.697 8.019 461 HB2 LEU 58 HB2 LEU 58 3.421 5.749 9.382 462 HB3 LEU 58 HB3 LEU 58 3.504 7.257 8.482 463 HG LEU 58 HG LEU 58 4.328 4.635 7.172 464 HD11 LEU 58 HD11 LEU 58 2.058 4.455 6.270 465 HD12 LEU 58 HD12 LEU 58 1.534 5.839 7.263 466 HD13 LEU 58 HD13 LEU 58 2.051 4.319 8.033 467 HD21 LEU 58 HD21 LEU 58 3.226 7.258 6.061 468 HD22 LEU 58 HD22 LEU 58 3.715 5.839 5.111 469 HD23 LEU 58 HD23 LEU 58 4.929 6.757 6.012 470 H GLU 59 H GLU 59 5.282 6.083 11.466 471 HA GLU 59 HA GLU 59 4.972 8.782 12.247 472 HB2 GLU 59 HB2 GLU 59 4.244 6.780 13.474 473 HB3 GLU 59 HB3 GLU 59 5.904 6.416 13.918 474 HG2 GLU 59 HG2 GLU 59 4.949 9.184 14.600 475 HG3 GLU 59 HG3 GLU 59 4.073 7.881 15.379 476 H SER 60 H SER 60 7.977 6.900 11.934 477 HA SER 60 HA SER 60 9.703 8.842 13.178 478 HB2 SER 60 HB2 SER 60 10.325 6.733 11.069 479 HB3 SER 60 HB3 SER 60 11.524 7.663 11.985 480 HG SER 60 HG SER 60 9.660 5.753 12.950 481 H LEU 61 H LEU 61 8.315 8.725 9.945 482 HA LEU 61 HA LEU 61 10.143 10.880 8.973 483 HB2 LEU 61 HB2 LEU 61 8.116 9.193 7.464 484 HB3 LEU 61 HB3 LEU 61 9.238 10.358 6.765 485 HG LEU 61 HG LEU 61 9.976 7.726 8.126 486 HD11 LEU 61 HD11 LEU 61 9.037 7.531 5.850 487 HD12 LEU 61 HD12 LEU 61 10.761 7.113 5.884 488 HD13 LEU 61 HD13 LEU 61 10.243 8.687 5.246 489 HD21 LEU 61 HD21 LEU 61 12.297 8.206 7.364 490 HD22 LEU 61 HD22 LEU 61 11.761 9.346 8.597 491 HD23 LEU 61 HD23 LEU 61 11.794 9.845 6.889 492 H GLY 62 H GLY 62 6.796 10.348 9.874 493 HA2 GLY 62 HA2 GLY 62 5.788 12.553 10.744 494 HA3 GLY 62 HA3 GLY 62 6.044 13.146 9.104 495 H VAL 63 H VAL 63 4.280 10.825 11.078 496 HA VAL 63 HA VAL 63 2.518 9.859 8.978 497 HB VAL 63 HB VAL 63 3.072 8.520 10.949 498 HG11 VAL 63 HG11 VAL 63 3.060 10.291 12.709 499 HG12 VAL 63 HG12 VAL 63 1.296 10.403 12.564 500 HG13 VAL 63 HG13 VAL 63 2.053 8.902 13.129 501 HG21 VAL 63 HG21 VAL 63 0.079 9.048 10.851 502 HG22 VAL 63 HG22 VAL 63 0.988 8.069 9.674 503 HG23 VAL 63 HG23 VAL 63 0.909 7.572 11.369 504 H ALA 64 H ALA 64 0.329 10.338 8.622 505 HA ALA 64 HA ALA 64 -0.910 12.643 9.987 506 HB1 ALA 64 HB1 ALA 64 -1.459 13.725 7.839 507 HB2 ALA 64 HB2 ALA 64 0.296 13.630 8.072 508 HB3 ALA 64 HB3 ALA 64 -0.517 12.498 6.967 509 H ASP 65 H ASP 65 -3.215 12.839 9.553 510 HA ASP 65 HA ASP 65 -4.590 10.266 9.385 511 HB2 ASP 65 HB2 ASP 65 -6.615 11.614 9.739 512 HB3 ASP 65 HB3 ASP 65 -5.389 11.887 10.968 513 H GLY 66 H GLY 66 -5.902 9.514 7.749 514 HA2 GLY 66 HA2 GLY 66 -7.035 9.419 5.757 515 HA3 GLY 66 HA3 GLY 66 -6.782 11.151 5.535 516 H ASP 67 H ASP 67 -3.913 9.171 5.942 517 HA ASP 67 HA ASP 67 -2.871 9.681 3.310 518 HB2 ASP 67 HB2 ASP 67 -2.125 7.614 5.412 519 HB3 ASP 67 HB3 ASP 67 -1.267 7.811 3.887 520 H LYS 68 H LYS 68 -2.926 8.548 1.420 521 HA LYS 68 HA LYS 68 -4.624 6.114 1.329 522 HB2 LYS 68 HB2 LYS 68 -5.956 6.968 -0.464 523 HB3 LYS 68 HB3 LYS 68 -6.034 8.041 0.932 524 HG2 LYS 68 HG2 LYS 68 -4.311 9.528 -0.236 525 HG3 LYS 68 HG3 LYS 68 -4.517 8.497 -1.669 526 HD2 LYS 68 HD2 LYS 68 -6.981 9.003 -1.618 527 HD3 LYS 68 HD3 LYS 68 -6.694 10.095 -0.247 528 HE2 LYS 68 HE2 LYS 68 -5.095 11.401 -1.683 529 HE3 LYS 68 HE3 LYS 68 -5.501 10.347 -3.045 530 HZ1 LYS 68 HZ1 LYS 68 -7.420 12.104 -1.602 531 HZ2 LYS 68 HZ2 LYS 68 -7.821 11.109 -2.835 532 HZ3 LYS 68 HZ3 LYS 68 -6.826 12.374 -3.096 533 H PHE 69 H PHE 69 -4.179 4.577 -0.001 534 HA PHE 69 HA PHE 69 -1.462 4.704 -1.276 535 HB2 PHE 69 HB2 PHE 69 -2.828 2.484 0.286 536 HB3 PHE 69 HB3 PHE 69 -1.229 2.409 -0.414 537 HD1 PHE 69 HD1 PHE 69 -0.664 5.491 0.655 538 HD2 PHE 69 HD2 PHE 69 -1.851 1.729 2.398 539 HE1 PHE 69 HE1 PHE 69 0.275 6.204 2.822 540 HE2 PHE 69 HE2 PHE 69 -0.898 2.450 4.574 541 HZ PHE 69 HZ PHE 69 0.145 4.697 4.796 542 H VAL 70 H VAL 70 -1.915 4.819 -3.442 543 HA VAL 70 HA VAL 70 -3.905 3.004 -4.640 544 HB VAL 70 HB VAL 70 -3.692 5.267 -5.522 545 HG11 VAL 70 HG11 VAL 70 -1.836 5.926 -6.955 546 HG12 VAL 70 HG12 VAL 70 -1.237 5.594 -5.323 547 HG13 VAL 70 HG13 VAL 70 -0.987 4.405 -6.626 548 HG21 VAL 70 HG21 VAL 70 -4.563 3.409 -6.919 549 HG22 VAL 70 HG22 VAL 70 -3.775 4.674 -7.873 550 HG23 VAL 70 HG23 VAL 70 -2.929 3.145 -7.574 551 H LEU 71 H LEU 71 -3.530 1.168 -5.724 552 HA LEU 71 HA LEU 71 -0.748 0.113 -5.777 553 HB2 LEU 71 HB2 LEU 71 -2.305 -0.322 -3.659 554 HB3 LEU 71 HB3 LEU 71 -2.976 -1.596 -4.665 555 HG LEU 71 HG LEU 71 0.002 -1.255 -4.089 556 HD11 LEU 71 HD11 LEU 71 -2.035 -3.043 -2.714 557 HD12 LEU 71 HD12 LEU 71 -1.280 -1.606 -2.004 558 HD13 LEU 71 HD13 LEU 71 -0.277 -3.008 -2.406 559 HD21 LEU 71 HD21 LEU 71 0.131 -3.645 -4.716 560 HD22 LEU 71 HD22 LEU 71 -0.442 -2.673 -6.065 561 HD23 LEU 71 HD23 LEU 71 -1.598 -3.641 -5.128 562 H ILE 72 H ILE 72 -0.336 -0.469 -7.767 563 HA ILE 72 HA ILE 72 -2.557 -1.265 -9.586 564 HB ILE 72 HB ILE 72 -1.446 0.799 -10.180 565 HG12 ILE 72 HG12 ILE 72 -0.729 -1.367 -12.203 566 HG13 ILE 72 HG13 ILE 72 -2.380 -0.822 -11.888 567 HG21 ILE 72 HG21 ILE 72 1.111 -0.814 -10.598 568 HG22 ILE 72 HG22 ILE 72 0.880 0.915 -10.917 569 HG23 ILE 72 HG23 ILE 72 0.833 0.324 -9.261 570 HD11 ILE 72 HD11 ILE 72 -1.537 0.313 -13.844 571 HD12 ILE 72 HD12 ILE 72 -1.732 1.498 -12.537 572 HD13 ILE 72 HD13 ILE 72 -0.113 0.896 -12.972 573 H THR 73 H THR 73 -2.448 -3.060 -10.858 574 HA THR 73 HA THR 73 -0.102 -4.865 -10.657 575 HB THR 73 HB THR 73 -1.421 -6.837 -10.461 576 HG1 THR 73 HG1 THR 73 -3.708 -5.180 -10.273 577 HG21 THR 73 HG21 THR 73 -2.364 -6.696 -8.233 578 HG22 THR 73 HG22 THR 73 -2.458 -4.924 -8.326 579 HG23 THR 73 HG23 THR 73 -0.879 -5.733 -8.305 580 H ARG 74 H ARG 74 0.101 -6.333 -12.479 581 HA ARG 74 HA ARG 74 -1.489 -5.541 -14.896 582 HB2 ARG 74 HB2 ARG 74 1.508 -6.023 -14.966 583 HB3 ARG 74 HB3 ARG 74 0.448 -5.520 -16.288 584 HG2 ARG 74 HG2 ARG 74 -0.067 -3.429 -14.761 585 HG3 ARG 74 HG3 ARG 74 1.380 -3.931 -13.880 586 HD2 ARG 74 HD2 ARG 74 2.166 -2.355 -15.419 587 HD3 ARG 74 HD3 ARG 74 2.580 -3.905 -16.172 588 HE ARG 74 HE ARG 74 -0.021 -3.052 -17.051 589 HH11 ARG 74 HH11 ARG 74 3.325 -2.168 -17.583 590 HH12 ARG 74 HH12 ARG 74 2.967 -1.365 -19.088 591 HH21 ARG 74 HH21 ARG 74 -0.406 -2.027 -18.979 592 HH22 ARG 74 HH22 ARG 74 0.908 -1.297 -19.853 593 H THR 75 H THR 75 -2.144 -7.075 -16.227 594 HA THR 75 HA THR 75 -2.046 -9.849 -15.372 595 HB THR 75 HB THR 75 -3.493 -10.198 -17.402 596 HG1 THR 75 HG1 THR 75 -2.940 -8.603 -18.779 597 HG21 THR 75 HG21 THR 75 -5.422 -8.972 -16.540 598 HG22 THR 75 HG22 THR 75 -4.370 -7.926 -15.566 599 HG23 THR 75 HG23 THR 75 -4.487 -9.663 -15.204 600 H VAL 76 H VAL 76 -0.194 -8.010 -17.660 601 HA VAL 76 HA VAL 76 1.126 -10.518 -18.669 602 HB VAL 76 HB VAL 76 0.857 -7.846 -20.086 603 HG11 VAL 76 HG11 VAL 76 2.978 -8.921 -20.707 604 HG12 VAL 76 HG12 VAL 76 2.135 -10.461 -21.004 605 HG13 VAL 76 HG13 VAL 76 1.829 -9.047 -22.037 606 HG21 VAL 76 HG21 VAL 76 -0.425 -10.558 -20.652 607 HG22 VAL 76 HG22 VAL 76 -1.265 -9.081 -20.131 608 HG23 VAL 76 HG23 VAL 76 -0.508 -9.139 -21.720 609 H GLY 77 H GLY 77 1.721 -7.167 -17.588 610 HA2 GLY 77 HA2 GLY 77 3.520 -6.318 -16.337 611 HA3 GLY 77 HA3 GLY 77 4.354 -7.864 -16.462 Start of MODEL 17 1 HA MET 1 HA MET 1 -5.054 5.704 13.051 2 HB2 MET 1 HB2 MET 1 -6.849 8.064 12.428 3 HB3 MET 1 HB3 MET 1 -7.291 6.726 13.468 4 HG2 MET 1 HG2 MET 1 -4.779 8.194 14.194 5 HG3 MET 1 HG3 MET 1 -6.295 9.072 14.332 6 HE1 MET 1 HE1 MET 1 -5.483 8.269 18.081 7 HE2 MET 1 HE2 MET 1 -4.227 8.493 16.848 8 HE3 MET 1 HE3 MET 1 -5.674 9.540 16.852 9 H LYS 2 H LYS 2 -7.623 7.116 11.127 10 HA LYS 2 HA LYS 2 -8.091 4.737 9.501 11 HB2 LYS 2 HB2 LYS 2 -9.252 7.541 9.579 12 HB3 LYS 2 HB3 LYS 2 -9.591 6.461 8.228 13 HG2 LYS 2 HG2 LYS 2 -10.508 4.760 9.726 14 HG3 LYS 2 HG3 LYS 2 -10.192 5.792 11.135 15 HD2 LYS 2 HD2 LYS 2 -11.711 7.499 10.312 16 HD3 LYS 2 HD3 LYS 2 -11.948 6.657 8.779 17 HE2 LYS 2 HE2 LYS 2 -12.703 5.447 11.471 18 HE3 LYS 2 HE3 LYS 2 -13.803 6.463 10.536 19 HZ1 LYS 2 HZ1 LYS 2 -14.177 4.131 10.048 20 HZ2 LYS 2 HZ2 LYS 2 -12.638 3.916 9.552 21 HZ3 LYS 2 HZ3 LYS 2 -13.651 4.883 8.699 22 H ILE 3 H ILE 3 -7.838 4.458 7.379 23 HA ILE 3 HA ILE 3 -6.146 6.236 5.698 24 HB ILE 3 HB ILE 3 -5.681 3.267 6.198 25 HG12 ILE 3 HG12 ILE 3 -4.771 4.580 8.064 26 HG13 ILE 3 HG13 ILE 3 -3.551 3.748 7.130 27 HG21 ILE 3 HG21 ILE 3 -3.636 3.581 4.750 28 HG22 ILE 3 HG22 ILE 3 -5.173 3.657 3.899 29 HG23 ILE 3 HG23 ILE 3 -4.295 5.159 4.271 30 HD11 ILE 3 HD11 ILE 3 -2.890 6.044 7.857 31 HD12 ILE 3 HD12 ILE 3 -2.765 5.772 6.114 32 HD13 ILE 3 HD13 ILE 3 -4.125 6.714 6.773 33 H LYS 4 H LYS 4 -6.686 6.113 3.514 34 HA LYS 4 HA LYS 4 -8.725 4.087 2.646 35 HB2 LYS 4 HB2 LYS 4 -8.166 6.893 1.734 36 HB3 LYS 4 HB3 LYS 4 -8.545 5.696 0.496 37 HG2 LYS 4 HG2 LYS 4 -10.619 5.074 1.746 38 HG3 LYS 4 HG3 LYS 4 -10.299 6.416 2.870 39 HD2 LYS 4 HD2 LYS 4 -10.428 8.031 0.987 40 HD3 LYS 4 HD3 LYS 4 -10.578 6.702 -0.161 41 HE2 LYS 4 HE2 LYS 4 -12.765 7.521 0.078 42 HE3 LYS 4 HE3 LYS 4 -12.723 6.004 0.986 43 HZ1 LYS 4 HZ1 LYS 4 -12.550 8.741 2.161 44 HZ2 LYS 4 HZ2 LYS 4 -12.477 7.356 3.031 45 HZ3 LYS 4 HZ3 LYS 4 -13.847 7.744 2.243 46 H ILE 5 H ILE 5 -8.276 2.689 1.083 47 HA ILE 5 HA ILE 5 -5.816 3.046 -0.517 48 HB ILE 5 HB ILE 5 -5.182 1.463 1.193 49 HG12 ILE 5 HG12 ILE 5 -5.501 0.010 -1.469 50 HG13 ILE 5 HG13 ILE 5 -4.358 1.328 -1.200 51 HG21 ILE 5 HG21 ILE 5 -7.362 -0.411 0.163 52 HG22 ILE 5 HG22 ILE 5 -6.188 -0.737 1.450 53 HG23 ILE 5 HG23 ILE 5 -7.433 0.485 1.692 54 HD11 ILE 5 HD11 ILE 5 -3.258 0.003 0.600 55 HD12 ILE 5 HD12 ILE 5 -4.341 -1.361 0.229 56 HD13 ILE 5 HD13 ILE 5 -3.197 -0.778 -0.988 57 H VAL 6 H VAL 6 -6.092 2.786 -2.636 58 HA VAL 6 HA VAL 6 -8.580 1.441 -3.621 59 HB VAL 6 HB VAL 6 -8.974 3.718 -3.865 60 HG11 VAL 6 HG11 VAL 6 -7.719 5.283 -5.186 61 HG12 VAL 6 HG12 VAL 6 -6.709 4.681 -3.871 62 HG13 VAL 6 HG13 VAL 6 -6.469 4.080 -5.529 63 HG21 VAL 6 HG21 VAL 6 -9.457 3.844 -6.223 64 HG22 VAL 6 HG22 VAL 6 -8.223 2.631 -6.602 65 HG23 VAL 6 HG23 VAL 6 -9.673 2.168 -5.689 66 HA PRO 7 HA PRO 7 -5.346 -0.667 -5.903 67 HB2 PRO 7 HB2 PRO 7 -6.086 -3.229 -5.585 68 HB3 PRO 7 HB3 PRO 7 -5.458 -2.289 -4.202 69 HG2 PRO 7 HG2 PRO 7 -8.366 -2.829 -4.875 70 HG3 PRO 7 HG3 PRO 7 -7.536 -3.004 -3.296 71 HD2 PRO 7 HD2 PRO 7 -8.959 -0.739 -4.078 72 HD3 PRO 7 HD3 PRO 7 -7.622 -0.717 -2.896 73 H ALA 8 H ALA 8 -5.246 -1.087 -8.024 74 HA ALA 8 HA ALA 8 -7.579 -0.811 -9.697 75 HB1 ALA 8 HB1 ALA 8 -5.378 0.189 -10.188 76 HB2 ALA 8 HB2 ALA 8 -4.669 -1.435 -10.372 77 HB3 ALA 8 HB3 ALA 8 -5.918 -0.864 -11.506 78 H VAL 9 H VAL 9 -8.266 -2.997 -8.286 79 HA VAL 9 HA VAL 9 -8.325 -5.232 -10.209 80 HB VAL 9 HB VAL 9 -6.174 -5.396 -8.841 81 HG11 VAL 9 HG11 VAL 9 -6.219 -6.077 -6.572 82 HG12 VAL 9 HG12 VAL 9 -7.305 -4.691 -6.663 83 HG13 VAL 9 HG13 VAL 9 -7.986 -6.317 -6.575 84 HG21 VAL 9 HG21 VAL 9 -8.044 -7.777 -8.529 85 HG22 VAL 9 HG22 VAL 9 -7.167 -7.343 -10.017 86 HG23 VAL 9 HG23 VAL 9 -6.270 -7.774 -8.557 87 H GLY 10 H GLY 10 -9.913 -6.864 -9.665 88 HA2 GLY 10 HA2 GLY 10 -11.894 -7.672 -8.798 89 HA3 GLY 10 HA3 GLY 10 -11.365 -7.012 -7.251 90 H GLY 11 H GLY 11 -12.638 -5.488 -6.377 91 HA2 GLY 11 HA2 GLY 11 -14.954 -4.348 -7.671 92 HA3 GLY 11 HA3 GLY 11 -14.293 -3.915 -6.093 93 H GLY 12 H GLY 12 -11.604 -3.273 -7.555 94 HA2 GLY 12 HA2 GLY 12 -10.537 -1.480 -8.478 95 HA3 GLY 12 HA3 GLY 12 -11.931 -1.318 -9.534 96 H SER 13 H SER 13 -11.896 -0.845 -6.004 97 HA SER 13 HA SER 13 -12.710 2.010 -6.311 98 HB2 SER 13 HB2 SER 13 -14.695 0.609 -6.585 99 HB3 SER 13 HB3 SER 13 -14.344 -0.241 -5.088 100 HG SER 13 HG SER 13 -15.917 1.404 -4.816 101 HA PRO 14 HA PRO 14 -10.409 2.528 -2.532 102 HB2 PRO 14 HB2 PRO 14 -11.720 4.661 -1.329 103 HB3 PRO 14 HB3 PRO 14 -10.561 4.808 -2.678 104 HG2 PRO 14 HG2 PRO 14 -13.581 4.682 -2.829 105 HG3 PRO 14 HG3 PRO 14 -12.473 5.824 -3.658 106 HD2 PRO 14 HD2 PRO 14 -13.438 3.687 -4.963 107 HD3 PRO 14 HD3 PRO 14 -11.726 4.137 -5.158 108 H LEU 15 H LEU 15 -10.375 1.696 -0.559 109 HA LEU 15 HA LEU 15 -12.895 1.099 0.919 110 HB2 LEU 15 HB2 LEU 15 -11.922 -0.933 -0.097 111 HB3 LEU 15 HB3 LEU 15 -10.368 -0.573 0.651 112 HG LEU 15 HG LEU 15 -11.416 -0.845 2.910 113 HD11 LEU 15 HD11 LEU 15 -13.826 -1.816 1.305 114 HD12 LEU 15 HD12 LEU 15 -13.785 -0.397 2.371 115 HD13 LEU 15 HD13 LEU 15 -13.605 -2.010 3.058 116 HD21 LEU 15 HD21 LEU 15 -10.225 -2.697 1.823 117 HD22 LEU 15 HD22 LEU 15 -11.727 -3.220 1.031 118 HD23 LEU 15 HD23 LEU 15 -11.573 -3.293 2.801 119 H GLU 16 H GLU 16 -12.973 1.773 2.989 120 HA GLU 16 HA GLU 16 -10.690 3.237 4.179 121 HB2 GLU 16 HB2 GLU 16 -13.488 2.693 5.267 122 HB3 GLU 16 HB3 GLU 16 -12.225 3.667 6.028 123 HG2 GLU 16 HG2 GLU 16 -12.225 5.115 3.919 124 HG3 GLU 16 HG3 GLU 16 -13.644 4.234 3.392 125 H LEU 17 H LEU 17 -9.379 2.529 5.693 126 HA LEU 17 HA LEU 17 -9.890 0.094 7.293 127 HB2 LEU 17 HB2 LEU 17 -7.652 0.543 5.302 128 HB3 LEU 17 HB3 LEU 17 -7.361 -0.468 6.714 129 HG LEU 17 HG LEU 17 -9.620 -1.011 4.734 130 HD11 LEU 17 HD11 LEU 17 -7.475 -1.149 3.607 131 HD12 LEU 17 HD12 LEU 17 -8.158 -2.765 3.825 132 HD13 LEU 17 HD13 LEU 17 -6.840 -2.213 4.881 133 HD21 LEU 17 HD21 LEU 17 -8.284 -2.735 6.883 134 HD22 LEU 17 HD22 LEU 17 -9.540 -3.277 5.749 135 HD23 LEU 17 HD23 LEU 17 -9.927 -2.053 6.957 136 H GLU 18 H GLU 18 -7.945 -0.159 8.850 137 HA GLU 18 HA GLU 18 -7.101 2.461 9.994 138 HB2 GLU 18 HB2 GLU 18 -9.242 1.754 11.028 139 HB3 GLU 18 HB3 GLU 18 -8.503 0.213 11.486 140 HG2 GLU 18 HG2 GLU 18 -6.818 1.493 12.859 141 HG3 GLU 18 HG3 GLU 18 -7.703 2.971 12.455 142 H VAL 19 H VAL 19 -5.036 2.439 10.821 143 HA VAL 19 HA VAL 19 -3.592 -0.169 11.020 144 HB VAL 19 HB VAL 19 -1.768 0.550 9.707 145 HG11 VAL 19 HG11 VAL 19 -2.688 0.707 7.486 146 HG12 VAL 19 HG12 VAL 19 -3.705 -0.375 8.451 147 HG13 VAL 19 HG13 VAL 19 -4.246 1.285 8.103 148 HG21 VAL 19 HG21 VAL 19 -1.739 2.720 8.460 149 HG22 VAL 19 HG22 VAL 19 -3.131 3.253 9.438 150 HG23 VAL 19 HG23 VAL 19 -1.567 2.902 10.205 151 H ALA 20 H ALA 20 -1.621 -0.165 12.186 152 HA ALA 20 HA ALA 20 -1.440 1.793 14.367 153 HB1 ALA 20 HB1 ALA 20 0.368 0.300 15.160 154 HB2 ALA 20 HB2 ALA 20 -1.098 -0.619 14.782 155 HB3 ALA 20 HB3 ALA 20 0.273 -0.631 13.651 156 HA PRO 21 HA PRO 21 1.745 4.320 12.342 157 HB2 PRO 21 HB2 PRO 21 3.161 5.255 14.490 158 HB3 PRO 21 HB3 PRO 21 1.517 5.822 14.078 159 HG2 PRO 21 HG2 PRO 21 2.296 3.686 16.094 160 HG3 PRO 21 HG3 PRO 21 1.202 5.085 16.334 161 HD2 PRO 21 HD2 PRO 21 0.236 2.625 15.752 162 HD3 PRO 21 HD3 PRO 21 -0.512 4.087 15.041 163 H ASN 22 H ASN 22 2.502 1.653 14.456 164 HA ASN 22 HA ASN 22 5.317 1.393 13.842 165 HB2 ASN 22 HB2 ASN 22 3.323 -0.613 14.978 166 HB3 ASN 22 HB3 ASN 22 5.075 -0.760 15.038 167 HD21 ASN 22 HD21 ASN 22 2.738 -0.323 17.117 168 HD22 ASN 22 HD22 ASN 22 3.449 0.905 18.156 169 H ALA 23 H ALA 23 2.755 0.949 11.726 170 HA ALA 23 HA ALA 23 3.222 -1.566 10.536 171 HB1 ALA 23 HB1 ALA 23 1.229 -0.213 10.108 172 HB2 ALA 23 HB2 ALA 23 2.214 1.035 9.306 173 HB3 ALA 23 HB3 ALA 23 2.058 -0.580 8.581 174 H THR 24 H THR 24 4.917 -2.378 9.499 175 HA THR 24 HA THR 24 7.061 -0.644 8.446 176 HB THR 24 HB THR 24 8.366 -2.592 8.089 177 HG1 THR 24 HG1 THR 24 6.297 -4.233 9.054 178 HG21 THR 24 HG21 THR 24 6.982 -2.912 10.782 179 HG22 THR 24 HG22 THR 24 8.315 -1.799 10.415 180 HG23 THR 24 HG23 THR 24 8.576 -3.544 10.318 181 H VAL 25 H VAL 25 7.792 -0.640 6.308 182 HA VAL 25 HA VAL 25 5.836 -0.925 4.204 183 HB VAL 25 HB VAL 25 8.871 -0.710 4.038 184 HG11 VAL 25 HG11 VAL 25 8.470 0.148 1.748 185 HG12 VAL 25 HG12 VAL 25 7.968 -1.533 1.896 186 HG13 VAL 25 HG13 VAL 25 6.749 -0.241 1.899 187 HG21 VAL 25 HG21 VAL 25 6.696 1.415 3.821 188 HG22 VAL 25 HG22 VAL 25 7.802 1.214 5.188 189 HG23 VAL 25 HG23 VAL 25 8.445 1.675 3.608 190 H GLY 26 H GLY 26 8.393 -3.071 5.439 191 HA2 GLY 26 HA2 GLY 26 8.370 -5.092 3.464 192 HA3 GLY 26 HA3 GLY 26 8.748 -5.328 5.178 193 H ALA 27 H ALA 27 6.415 -4.955 6.525 194 HA ALA 27 HA ALA 27 4.924 -7.323 6.016 195 HB1 ALA 27 HB1 ALA 27 4.179 -4.846 7.639 196 HB2 ALA 27 HB2 ALA 27 3.405 -6.440 7.755 197 HB3 ALA 27 HB3 ALA 27 5.101 -6.253 8.222 198 H VAL 28 H VAL 28 4.183 -3.916 5.113 199 HA VAL 28 HA VAL 28 1.604 -4.471 3.945 200 HB VAL 28 HB VAL 28 3.598 -2.231 3.447 201 HG11 VAL 28 HG11 VAL 28 2.168 -2.379 1.461 202 HG12 VAL 28 HG12 VAL 28 0.716 -2.473 2.475 203 HG13 VAL 28 HG13 VAL 28 1.693 -0.995 2.435 204 HG21 VAL 28 HG21 VAL 28 0.967 -2.311 4.996 205 HG22 VAL 28 HG22 VAL 28 2.578 -2.314 5.727 206 HG23 VAL 28 HG23 VAL 28 2.038 -0.909 4.812 207 H ARG 29 H ARG 29 4.874 -4.306 2.452 208 HA ARG 29 HA ARG 29 4.034 -4.919 -0.213 209 HB2 ARG 29 HB2 ARG 29 6.283 -3.963 0.677 210 HB3 ARG 29 HB3 ARG 29 6.717 -5.623 1.037 211 HG2 ARG 29 HG2 ARG 29 7.701 -5.368 -1.000 212 HG3 ARG 29 HG3 ARG 29 6.164 -6.028 -1.543 213 HD2 ARG 29 HD2 ARG 29 6.764 -3.035 -1.364 214 HD3 ARG 29 HD3 ARG 29 7.145 -3.987 -2.784 215 HE ARG 29 HE ARG 29 4.432 -3.292 -1.778 216 HH11 ARG 29 HH11 ARG 29 6.313 -4.657 -4.406 217 HH12 ARG 29 HH12 ARG 29 4.946 -4.636 -5.498 218 HH21 ARG 29 HH21 ARG 29 2.742 -3.354 -3.248 219 HH22 ARG 29 HH22 ARG 29 3.023 -4.019 -4.836 220 H THR 30 H THR 30 5.109 -7.161 2.413 221 HA THR 30 HA THR 30 4.818 -9.506 0.745 222 HB THR 30 HB THR 30 4.884 -10.819 2.819 223 HG1 THR 30 HG1 THR 30 3.945 -9.543 4.330 224 HG21 THR 30 HG21 THR 30 6.973 -10.190 1.730 225 HG22 THR 30 HG22 THR 30 7.164 -10.208 3.493 226 HG23 THR 30 HG23 THR 30 7.023 -8.662 2.632 227 H LYS 31 H LYS 31 2.480 -7.886 2.993 228 HA LYS 31 HA LYS 31 0.401 -9.858 2.585 229 HB2 LYS 31 HB2 LYS 31 0.307 -6.916 3.369 230 HB3 LYS 31 HB3 LYS 31 -1.145 -7.848 3.046 231 HG2 LYS 31 HG2 LYS 31 -0.034 -9.591 4.765 232 HG3 LYS 31 HG3 LYS 31 0.821 -8.149 5.304 233 HD2 LYS 31 HD2 LYS 31 -1.109 -8.337 6.674 234 HD3 LYS 31 HD3 LYS 31 -1.462 -7.017 5.542 235 HE2 LYS 31 HE2 LYS 31 -2.757 -8.616 4.117 236 HE3 LYS 31 HE3 LYS 31 -2.363 -9.929 5.239 237 HZ1 LYS 31 HZ1 LYS 31 -3.610 -8.735 6.961 238 HZ2 LYS 31 HZ2 LYS 31 -4.565 -9.034 5.667 239 HZ3 LYS 31 HZ3 LYS 31 -3.980 -7.526 5.918 240 H VAL 32 H VAL 32 1.152 -6.874 0.726 241 HA VAL 32 HA VAL 32 -0.950 -7.225 -1.195 242 HB VAL 32 HB VAL 32 1.739 -5.830 -1.371 243 HG11 VAL 32 HG11 VAL 32 0.824 -4.692 -3.401 244 HG12 VAL 32 HG12 VAL 32 1.159 -6.391 -3.672 245 HG13 VAL 32 HG13 VAL 32 -0.515 -5.853 -3.418 246 HG21 VAL 32 HG21 VAL 32 0.403 -3.809 -1.134 247 HG22 VAL 32 HG22 VAL 32 -1.108 -4.748 -1.192 248 HG23 VAL 32 HG23 VAL 32 -0.015 -4.896 0.184 249 H CYS 33 H CYS 33 2.469 -8.359 -1.349 250 HA CYS 33 HA CYS 33 2.297 -9.673 -3.847 251 HB2 CYS 33 HB2 CYS 33 4.366 -9.106 -2.613 252 HB3 CYS 33 HB3 CYS 33 3.980 -10.328 -1.386 253 HG CYS 33 HG CYS 33 4.063 -12.398 -2.920 254 H ALA 34 H ALA 34 1.654 -11.012 -0.563 255 HA ALA 34 HA ALA 34 0.957 -13.642 -1.452 256 HB1 ALA 34 HB1 ALA 34 0.224 -12.133 1.102 257 HB2 ALA 34 HB2 ALA 34 0.101 -13.893 0.851 258 HB3 ALA 34 HB3 ALA 34 1.697 -13.106 0.838 259 H MET 35 H MET 35 -1.081 -10.757 -0.799 260 HA MET 35 HA MET 35 -3.599 -12.083 -1.152 261 HB2 MET 35 HB2 MET 35 -3.276 -10.056 0.180 262 HB3 MET 35 HB3 MET 35 -2.818 -9.147 -1.270 263 HG2 MET 35 HG2 MET 35 -5.078 -9.411 -2.177 264 HG3 MET 35 HG3 MET 35 -5.518 -10.469 -0.841 265 HE1 MET 35 HE1 MET 35 -4.642 -6.790 -1.946 266 HE2 MET 35 HE2 MET 35 -4.816 -5.887 -0.428 267 HE3 MET 35 HE3 MET 35 -3.456 -7.005 -0.635 268 H LYS 36 H LYS 36 -1.597 -10.150 -3.421 269 HA LYS 36 HA LYS 36 -3.476 -10.624 -5.673 270 HB2 LYS 36 HB2 LYS 36 -0.729 -9.292 -5.542 271 HB3 LYS 36 HB3 LYS 36 -1.729 -9.398 -6.986 272 HG2 LYS 36 HG2 LYS 36 -2.390 -7.834 -4.453 273 HG3 LYS 36 HG3 LYS 36 -1.953 -7.213 -6.044 274 HD2 LYS 36 HD2 LYS 36 -4.192 -6.940 -6.226 275 HD3 LYS 36 HD3 LYS 36 -4.084 -8.585 -6.855 276 HE2 LYS 36 HE2 LYS 36 -4.400 -9.222 -4.268 277 HE3 LYS 36 HE3 LYS 36 -5.044 -7.584 -4.148 278 HZ1 LYS 36 HZ1 LYS 36 -6.698 -8.207 -5.853 279 HZ2 LYS 36 HZ2 LYS 36 -6.799 -9.199 -4.562 280 HZ3 LYS 36 HZ3 LYS 36 -6.083 -9.739 -5.928 281 H LYS 37 H LYS 37 -0.935 -12.381 -4.292 282 HA LYS 37 HA LYS 37 0.233 -14.229 -4.847 283 HB2 LYS 37 HB2 LYS 37 -1.843 -14.862 -6.961 284 HB3 LYS 37 HB3 LYS 37 -0.805 -15.973 -6.090 285 HG2 LYS 37 HG2 LYS 37 -2.357 -14.607 -4.089 286 HG3 LYS 37 HG3 LYS 37 -3.446 -14.942 -5.420 287 HD2 LYS 37 HD2 LYS 37 -3.600 -16.812 -3.951 288 HD3 LYS 37 HD3 LYS 37 -2.681 -17.354 -5.354 289 HE2 LYS 37 HE2 LYS 37 -1.545 -18.235 -3.463 290 HE3 LYS 37 HE3 LYS 37 -0.549 -16.890 -4.032 291 HZ1 LYS 37 HZ1 LYS 37 -2.455 -16.798 -1.747 292 HZ2 LYS 37 HZ2 LYS 37 -1.578 -15.511 -2.259 293 HZ3 LYS 37 HZ3 LYS 37 -0.827 -16.826 -1.624 294 H LEU 38 H LEU 38 1.045 -11.829 -6.082 295 HA LEU 38 HA LEU 38 2.373 -12.737 -8.569 296 HB2 LEU 38 HB2 LEU 38 0.490 -10.376 -8.272 297 HB3 LEU 38 HB3 LEU 38 1.701 -10.419 -9.536 298 HG LEU 38 HG LEU 38 -0.482 -12.522 -9.227 299 HD11 LEU 38 HD11 LEU 38 -0.246 -10.166 -11.144 300 HD12 LEU 38 HD12 LEU 38 -1.392 -10.300 -9.793 301 HD13 LEU 38 HD13 LEU 38 -1.515 -11.412 -11.163 302 HD21 LEU 38 HD21 LEU 38 1.507 -11.981 -11.472 303 HD22 LEU 38 HD22 LEU 38 0.144 -13.115 -11.557 304 HD23 LEU 38 HD23 LEU 38 1.463 -13.420 -10.429 305 HA PRO 39 HA PRO 39 5.859 -10.884 -6.861 306 HB2 PRO 39 HB2 PRO 39 7.466 -10.355 -9.038 307 HB3 PRO 39 HB3 PRO 39 7.026 -12.004 -8.503 308 HG2 PRO 39 HG2 PRO 39 5.681 -10.326 -10.651 309 HG3 PRO 39 HG3 PRO 39 6.274 -12.018 -10.776 310 HD2 PRO 39 HD2 PRO 39 3.679 -11.504 -10.243 311 HD3 PRO 39 HD3 PRO 39 4.529 -12.830 -9.400 312 HA PRO 40 HA PRO 40 5.781 -6.497 -6.576 313 HB2 PRO 40 HB2 PRO 40 8.384 -5.786 -6.029 314 HB3 PRO 40 HB3 PRO 40 7.336 -6.673 -4.881 315 HG2 PRO 40 HG2 PRO 40 9.357 -7.844 -6.822 316 HG3 PRO 40 HG3 PRO 40 9.207 -8.155 -5.061 317 HD2 PRO 40 HD2 PRO 40 8.103 -9.839 -6.837 318 HD3 PRO 40 HD3 PRO 40 7.197 -9.391 -5.362 319 H ASP 41 H ASP 41 7.751 -7.833 -9.150 320 HA ASP 41 HA ASP 41 8.382 -5.355 -10.507 321 HB2 ASP 41 HB2 ASP 41 7.963 -8.171 -11.598 322 HB3 ASP 41 HB3 ASP 41 8.648 -6.814 -12.501 323 H THR 42 H THR 42 5.622 -7.605 -10.710 324 HA THR 42 HA THR 42 4.314 -6.012 -12.807 325 HB THR 42 HB THR 42 4.557 -8.587 -12.722 326 HG1 THR 42 HG1 THR 42 3.402 -7.649 -14.306 327 HG21 THR 42 HG21 THR 42 1.954 -8.337 -11.154 328 HG22 THR 42 HG22 THR 42 3.488 -8.967 -10.509 329 HG23 THR 42 HG23 THR 42 2.678 -9.806 -11.826 330 H THR 43 H THR 43 4.055 -6.418 -9.363 331 HA THR 43 HA THR 43 1.618 -4.681 -9.296 332 HB THR 43 HB THR 43 2.326 -7.009 -7.498 333 HG1 THR 43 HG1 THR 43 0.497 -7.866 -8.376 334 HG21 THR 43 HG21 THR 43 1.246 -5.225 -6.138 335 HG22 THR 43 HG22 THR 43 0.181 -6.598 -6.381 336 HG23 THR 43 HG23 THR 43 -0.066 -5.117 -7.329 337 H ARG 44 H ARG 44 1.895 -2.779 -8.386 338 HA ARG 44 HA ARG 44 4.014 -2.301 -6.323 339 HB2 ARG 44 HB2 ARG 44 3.661 -0.811 -8.948 340 HB3 ARG 44 HB3 ARG 44 4.531 -0.144 -7.576 341 HG2 ARG 44 HG2 ARG 44 6.392 -1.167 -8.247 342 HG3 ARG 44 HG3 ARG 44 5.652 -2.706 -7.838 343 HD2 ARG 44 HD2 ARG 44 6.453 -2.883 -10.057 344 HD3 ARG 44 HD3 ARG 44 4.698 -2.802 -10.176 345 HE ARG 44 HE ARG 44 5.590 -0.143 -10.402 346 HH11 ARG 44 HH11 ARG 44 6.175 -3.076 -12.293 347 HH12 ARG 44 HH12 ARG 44 6.424 -2.147 -13.758 348 HH21 ARG 44 HH21 ARG 44 5.955 0.926 -12.290 349 HH22 ARG 44 HH22 ARG 44 6.319 0.050 -13.751 350 H LEU 45 H LEU 45 3.882 -0.260 -5.266 351 HA LEU 45 HA LEU 45 1.122 0.717 -4.766 352 HB2 LEU 45 HB2 LEU 45 1.459 -1.086 -3.216 353 HB3 LEU 45 HB3 LEU 45 3.084 -0.514 -2.811 354 HG LEU 45 HG LEU 45 2.155 1.430 -1.627 355 HD11 LEU 45 HD11 LEU 45 -0.447 0.469 -2.776 356 HD12 LEU 45 HD12 LEU 45 0.106 2.110 -2.436 357 HD13 LEU 45 HD13 LEU 45 -0.463 1.078 -1.124 358 HD21 LEU 45 HD21 LEU 45 1.218 0.184 0.245 359 HD22 LEU 45 HD22 LEU 45 2.549 -0.721 -0.487 360 HD23 LEU 45 HD23 LEU 45 0.862 -1.201 -0.819 361 H THR 46 H THR 46 0.959 2.827 -4.283 362 HA THR 46 HA THR 46 3.392 4.486 -3.782 363 HB THR 46 HB THR 46 1.253 5.060 -5.868 364 HG1 THR 46 HG1 THR 46 3.986 4.328 -6.158 365 HG21 THR 46 HG21 THR 46 3.823 6.565 -5.255 366 HG22 THR 46 HG22 THR 46 2.163 7.162 -5.024 367 HG23 THR 46 HG23 THR 46 2.785 6.845 -6.647 368 H TYR 47 H TYR 47 3.104 6.350 -2.604 369 HA TYR 47 HA TYR 47 0.387 7.258 -1.860 370 HB2 TYR 47 HB2 TYR 47 0.612 5.977 0.019 371 HB3 TYR 47 HB3 TYR 47 2.367 6.084 0.052 372 HD1 TYR 47 HD1 TYR 47 -0.667 8.282 0.441 373 HD2 TYR 47 HD2 TYR 47 3.356 7.404 1.703 374 HE1 TYR 47 HE1 TYR 47 -0.770 10.158 2.088 375 HE2 TYR 47 HE2 TYR 47 3.254 9.264 3.343 376 HH TYR 47 HH TYR 47 2.108 10.968 4.108 377 H LYS 48 H LYS 48 0.245 9.432 -1.733 378 HA LYS 48 HA LYS 48 0.760 11.569 -2.301 379 HB2 LYS 48 HB2 LYS 48 1.673 11.150 0.132 380 HB3 LYS 48 HB3 LYS 48 3.255 11.332 -0.608 381 HG2 LYS 48 HG2 LYS 48 2.723 13.476 0.190 382 HG3 LYS 48 HG3 LYS 48 2.359 13.597 -1.531 383 HD2 LYS 48 HD2 LYS 48 -0.082 13.091 -0.939 384 HD3 LYS 48 HD3 LYS 48 0.371 13.238 0.758 385 HE2 LYS 48 HE2 LYS 48 0.668 15.390 -1.386 386 HE3 LYS 48 HE3 LYS 48 -0.641 15.303 -0.203 387 HZ1 LYS 48 HZ1 LYS 48 2.222 15.714 0.451 388 HZ2 LYS 48 HZ2 LYS 48 1.020 15.580 1.559 389 HZ3 LYS 48 HZ3 LYS 48 1.046 16.842 0.522 390 H GLY 49 H GLY 49 1.629 9.737 -4.256 391 HA2 GLY 49 HA2 GLY 49 2.762 9.753 -6.269 392 HA3 GLY 49 HA3 GLY 49 3.370 11.360 -5.881 393 H ARG 50 H ARG 50 4.157 8.953 -3.521 394 HA ARG 50 HA ARG 50 6.944 8.660 -4.557 395 HB2 ARG 50 HB2 ARG 50 6.057 10.206 -2.387 396 HB3 ARG 50 HB3 ARG 50 6.599 8.738 -1.608 397 HG2 ARG 50 HG2 ARG 50 8.268 10.424 -3.540 398 HG3 ARG 50 HG3 ARG 50 8.279 10.586 -1.785 399 HD2 ARG 50 HD2 ARG 50 9.012 8.187 -1.605 400 HD3 ARG 50 HD3 ARG 50 9.202 8.150 -3.359 401 HE ARG 50 HE ARG 50 10.875 9.548 -1.369 402 HH11 ARG 50 HH11 ARG 50 10.270 9.263 -4.818 403 HH12 ARG 50 HH12 ARG 50 11.821 9.953 -5.222 404 HH21 ARG 50 HH21 ARG 50 12.803 10.430 -1.974 405 HH22 ARG 50 HH22 ARG 50 13.201 10.596 -3.661 406 H ALA 51 H ALA 51 7.939 6.708 -4.306 407 HA ALA 51 HA ALA 51 6.428 4.376 -3.308 408 HB1 ALA 51 HB1 ALA 51 7.760 4.176 -5.368 409 HB2 ALA 51 HB2 ALA 51 9.234 4.637 -4.478 410 HB3 ALA 51 HB3 ALA 51 8.396 3.118 -4.091 411 H LEU 52 H LEU 52 6.549 3.690 -1.243 412 HA LEU 52 HA LEU 52 8.549 4.780 0.653 413 HB2 LEU 52 HB2 LEU 52 5.986 3.209 0.856 414 HB3 LEU 52 HB3 LEU 52 7.200 2.990 2.106 415 HG LEU 52 HG LEU 52 7.227 5.347 2.649 416 HD11 LEU 52 HD11 LEU 52 5.048 5.698 0.548 417 HD12 LEU 52 HD12 LEU 52 6.689 6.380 0.485 418 HD13 LEU 52 HD13 LEU 52 5.577 6.919 1.734 419 HD21 LEU 52 HD21 LEU 52 5.607 3.856 3.758 420 HD22 LEU 52 HD22 LEU 52 4.395 4.233 2.513 421 HD23 LEU 52 HD23 LEU 52 4.970 5.503 3.615 422 H LYS 53 H LYS 53 10.218 3.702 1.498 423 HA LYS 53 HA LYS 53 10.694 0.854 1.219 424 HB2 LYS 53 HB2 LYS 53 11.318 2.011 -1.091 425 HB3 LYS 53 HB3 LYS 53 12.685 2.650 -0.212 426 HG2 LYS 53 HG2 LYS 53 13.758 0.782 -0.817 427 HG3 LYS 53 HG3 LYS 53 12.849 -0.061 0.428 428 HD2 LYS 53 HD2 LYS 53 12.038 0.248 -2.502 429 HD3 LYS 53 HD3 LYS 53 12.808 -1.180 -1.831 430 HE2 LYS 53 HE2 LYS 53 10.128 -0.137 -0.811 431 HE3 LYS 53 HE3 LYS 53 10.256 -1.217 -2.197 432 HZ1 LYS 53 HZ1 LYS 53 11.332 -2.865 -0.805 433 HZ2 LYS 53 HZ2 LYS 53 9.896 -2.465 -0.147 434 HZ3 LYS 53 HZ3 LYS 53 11.283 -1.896 0.510 435 H ASP 54 H ASP 54 12.097 0.183 2.776 436 HA ASP 54 HA ASP 54 13.278 0.191 4.686 437 HB2 ASP 54 HB2 ASP 54 14.961 0.738 2.879 438 HB3 ASP 54 HB3 ASP 54 14.908 2.413 3.423 439 H THR 55 H THR 55 10.955 1.983 4.711 440 HA THR 55 HA THR 55 11.576 4.394 6.120 441 HB THR 55 HB THR 55 8.929 2.968 5.742 442 HG1 THR 55 HG1 THR 55 10.205 4.944 4.157 443 HG21 THR 55 HG21 THR 55 8.037 5.364 5.710 444 HG22 THR 55 HG22 THR 55 9.581 5.813 6.495 445 HG23 THR 55 HG23 THR 55 8.472 4.670 7.275 446 H GLU 56 H GLU 56 10.746 1.218 7.262 447 HA GLU 56 HA GLU 56 10.469 0.202 9.234 448 HB2 GLU 56 HB2 GLU 56 12.070 2.501 10.382 449 HB3 GLU 56 HB3 GLU 56 11.742 0.944 11.161 450 HG2 GLU 56 HG2 GLU 56 12.855 -0.168 9.191 451 HG3 GLU 56 HG3 GLU 56 13.361 1.447 8.638 452 H THR 57 H THR 57 9.383 3.583 9.579 453 HA THR 57 HA THR 57 6.928 2.645 10.891 454 HB THR 57 HB THR 57 8.249 2.841 12.882 455 HG1 THR 57 HG1 THR 57 6.208 3.756 13.057 456 HG21 THR 57 HG21 THR 57 10.120 4.260 12.112 457 HG22 THR 57 HG22 THR 57 9.383 4.897 13.586 458 HG23 THR 57 HG23 THR 57 9.034 5.663 12.027 459 H LEU 58 H LEU 58 5.229 4.108 10.749 460 HA LEU 58 HA LEU 58 5.346 6.091 8.644 461 HB2 LEU 58 HB2 LEU 58 3.244 5.526 10.776 462 HB3 LEU 58 HB3 LEU 58 3.014 6.529 9.354 463 HG LEU 58 HG LEU 58 3.546 3.529 9.311 464 HD11 LEU 58 HD11 LEU 58 1.221 3.389 8.507 465 HD12 LEU 58 HD12 LEU 58 1.041 5.150 8.686 466 HD13 LEU 58 HD13 LEU 58 1.293 4.121 10.114 467 HD21 LEU 58 HD21 LEU 58 2.967 3.716 6.889 468 HD22 LEU 58 HD22 LEU 58 4.464 4.563 7.281 469 HD23 LEU 58 HD23 LEU 58 2.963 5.489 7.042 470 H GLU 59 H GLU 59 6.102 6.275 12.029 471 HA GLU 59 HA GLU 59 5.794 9.139 12.355 472 HB2 GLU 59 HB2 GLU 59 7.583 7.141 13.798 473 HB3 GLU 59 HB3 GLU 59 7.296 8.822 14.283 474 HG2 GLU 59 HG2 GLU 59 4.850 8.318 14.475 475 HG3 GLU 59 HG3 GLU 59 5.199 6.620 14.136 476 H SER 60 H SER 60 8.169 7.224 10.635 477 HA SER 60 HA SER 60 10.382 9.086 10.800 478 HB2 SER 60 HB2 SER 60 10.634 6.693 10.235 479 HB3 SER 60 HB3 SER 60 9.767 6.961 8.714 480 HG SER 60 HG SER 60 12.093 7.022 8.539 481 H LEU 61 H LEU 61 7.750 8.606 8.441 482 HA LEU 61 HA LEU 61 8.448 11.030 6.894 483 HB2 LEU 61 HB2 LEU 61 6.467 8.772 6.674 484 HB3 LEU 61 HB3 LEU 61 6.033 10.310 5.946 485 HG LEU 61 HG LEU 61 7.924 10.323 4.486 486 HD11 LEU 61 HD11 LEU 61 9.702 9.342 5.816 487 HD12 LEU 61 HD12 LEU 61 9.498 8.374 4.350 488 HD13 LEU 61 HD13 LEU 61 8.833 7.797 5.898 489 HD21 LEU 61 HD21 LEU 61 5.941 8.991 3.818 490 HD22 LEU 61 HD22 LEU 61 6.680 7.539 4.534 491 HD23 LEU 61 HD23 LEU 61 7.438 8.332 3.134 492 H GLY 62 H GLY 62 6.675 10.365 9.762 493 HA2 GLY 62 HA2 GLY 62 5.506 11.744 11.179 494 HA3 GLY 62 HA3 GLY 62 6.036 13.123 10.206 495 H VAL 63 H VAL 63 4.029 10.351 9.184 496 HA VAL 63 HA VAL 63 2.372 11.988 7.579 497 HB VAL 63 HB VAL 63 1.136 10.054 7.015 498 HG11 VAL 63 HG11 VAL 63 3.479 10.206 6.177 499 HG12 VAL 63 HG12 VAL 63 3.991 9.125 7.493 500 HG13 VAL 63 HG13 VAL 63 2.854 8.551 6.262 501 HG21 VAL 63 HG21 VAL 63 2.345 8.698 9.454 502 HG22 VAL 63 HG22 VAL 63 0.630 9.042 9.164 503 HG23 VAL 63 HG23 VAL 63 1.455 7.856 8.156 504 H ALA 64 H ALA 64 0.134 12.354 7.544 505 HA ALA 64 HA ALA 64 -1.093 13.007 10.148 506 HB1 ALA 64 HB1 ALA 64 -2.679 14.250 8.754 507 HB2 ALA 64 HB2 ALA 64 -1.024 14.656 8.293 508 HB3 ALA 64 HB3 ALA 64 -1.983 13.547 7.281 509 H ASP 65 H ASP 65 -3.677 12.714 9.961 510 HA ASP 65 HA ASP 65 -4.342 9.863 9.572 511 HB2 ASP 65 HB2 ASP 65 -6.531 10.499 10.458 512 HB3 ASP 65 HB3 ASP 65 -5.228 10.936 11.553 513 H GLY 66 H GLY 66 -6.017 9.151 8.127 514 HA2 GLY 66 HA2 GLY 66 -7.471 9.221 6.358 515 HA3 GLY 66 HA3 GLY 66 -7.379 10.982 6.345 516 H ASP 67 H ASP 67 -4.461 9.022 5.971 517 HA ASP 67 HA ASP 67 -3.729 10.152 3.445 518 HB2 ASP 67 HB2 ASP 67 -2.792 7.570 4.720 519 HB3 ASP 67 HB3 ASP 67 -2.008 8.384 3.383 520 H LYS 68 H LYS 68 -3.445 9.112 1.402 521 HA LYS 68 HA LYS 68 -5.439 6.971 0.750 522 HB2 LYS 68 HB2 LYS 68 -4.770 9.434 -0.904 523 HB3 LYS 68 HB3 LYS 68 -5.876 8.128 -1.357 524 HG2 LYS 68 HG2 LYS 68 -7.295 8.686 0.639 525 HG3 LYS 68 HG3 LYS 68 -6.216 10.046 0.997 526 HD2 LYS 68 HD2 LYS 68 -6.734 11.018 -1.241 527 HD3 LYS 68 HD3 LYS 68 -7.878 9.687 -1.535 528 HE2 LYS 68 HE2 LYS 68 -9.151 10.350 0.502 529 HE3 LYS 68 HE3 LYS 68 -8.010 11.670 0.790 530 HZ1 LYS 68 HZ1 LYS 68 -8.695 12.645 -1.342 531 HZ2 LYS 68 HZ2 LYS 68 -9.990 12.464 -0.363 532 HZ3 LYS 68 HZ3 LYS 68 -9.760 11.428 -1.604 533 H PHE 69 H PHE 69 -4.343 5.221 0.338 534 HA PHE 69 HA PHE 69 -1.772 5.249 -1.177 535 HB2 PHE 69 HB2 PHE 69 -3.264 3.139 0.418 536 HB3 PHE 69 HB3 PHE 69 -1.898 2.767 -0.609 537 HD1 PHE 69 HD1 PHE 69 -2.877 4.933 2.312 538 HD2 PHE 69 HD2 PHE 69 0.319 2.952 0.199 539 HE1 PHE 69 HE1 PHE 69 -1.293 5.542 4.127 540 HE2 PHE 69 HE2 PHE 69 1.890 3.536 2.026 541 HZ PHE 69 HZ PHE 69 1.091 4.848 3.984 542 H VAL 70 H VAL 70 -1.508 4.257 -3.162 543 HA VAL 70 HA VAL 70 -3.959 3.207 -4.525 544 HB VAL 70 HB VAL 70 -3.358 4.198 -6.591 545 HG11 VAL 70 HG11 VAL 70 -3.821 6.527 -6.144 546 HG12 VAL 70 HG12 VAL 70 -4.705 5.552 -4.964 547 HG13 VAL 70 HG13 VAL 70 -3.224 6.391 -4.477 548 HG21 VAL 70 HG21 VAL 70 -1.581 5.876 -6.863 549 HG22 VAL 70 HG22 VAL 70 -1.001 5.548 -5.218 550 HG23 VAL 70 HG23 VAL 70 -0.905 4.294 -6.477 551 H LEU 71 H LEU 71 -3.798 1.325 -5.543 552 HA LEU 71 HA LEU 71 -1.104 0.022 -5.676 553 HB2 LEU 71 HB2 LEU 71 -3.177 -0.824 -4.128 554 HB3 LEU 71 HB3 LEU 71 -3.581 -1.636 -5.625 555 HG LEU 71 HG LEU 71 -0.773 -2.085 -5.181 556 HD11 LEU 71 HD11 LEU 71 -0.824 -3.221 -3.056 557 HD12 LEU 71 HD12 LEU 71 -2.542 -2.840 -2.811 558 HD13 LEU 71 HD13 LEU 71 -1.316 -1.553 -2.797 559 HD21 LEU 71 HD21 LEU 71 -1.470 -4.432 -5.120 560 HD22 LEU 71 HD22 LEU 71 -2.314 -3.582 -6.423 561 HD23 LEU 71 HD23 LEU 71 -3.169 -3.960 -4.905 562 H ILE 72 H ILE 72 -0.420 -0.739 -7.561 563 HA ILE 72 HA ILE 72 -2.221 -0.698 -9.951 564 HB ILE 72 HB ILE 72 0.725 0.076 -9.815 565 HG12 ILE 72 HG12 ILE 72 -0.515 2.301 -10.785 566 HG13 ILE 72 HG13 ILE 72 -1.804 1.723 -9.745 567 HG21 ILE 72 HG21 ILE 72 0.173 -0.982 -11.957 568 HG22 ILE 72 HG22 ILE 72 -1.237 0.089 -12.153 569 HG23 ILE 72 HG23 ILE 72 0.415 0.740 -12.182 570 HD11 ILE 72 HD11 ILE 72 -0.218 1.803 -7.802 571 HD12 ILE 72 HD12 ILE 72 1.085 2.303 -8.904 572 HD13 ILE 72 HD13 ILE 72 -0.312 3.363 -8.635 573 H THR 73 H THR 73 -2.170 -2.493 -11.246 574 HA THR 73 HA THR 73 -0.017 -4.476 -10.918 575 HB THR 73 HB THR 73 -1.628 -5.165 -9.250 576 HG1 THR 73 HG1 THR 73 -0.590 -6.810 -10.106 577 HG21 THR 73 HG21 THR 73 -3.747 -4.332 -10.256 578 HG22 THR 73 HG22 THR 73 -3.821 -6.038 -9.801 579 HG23 THR 73 HG23 THR 73 -3.636 -5.589 -11.507 580 H ARG 74 H ARG 74 0.617 -5.323 -12.738 581 HA ARG 74 HA ARG 74 -0.742 -4.649 -15.290 582 HB2 ARG 74 HB2 ARG 74 1.993 -5.654 -14.461 583 HB3 ARG 74 HB3 ARG 74 1.485 -5.830 -16.128 584 HG2 ARG 74 HG2 ARG 74 1.483 -3.141 -14.696 585 HG3 ARG 74 HG3 ARG 74 2.885 -3.794 -15.548 586 HD2 ARG 74 HD2 ARG 74 1.518 -3.996 -17.621 587 HD3 ARG 74 HD3 ARG 74 0.178 -3.203 -16.793 588 HE ARG 74 HE ARG 74 2.848 -1.999 -17.442 589 HH11 ARG 74 HH11 ARG 74 -0.521 -1.400 -16.678 590 HH12 ARG 74 HH12 ARG 74 -0.369 0.308 -17.018 591 HH21 ARG 74 HH21 ARG 74 2.960 0.163 -17.845 592 HH22 ARG 74 HH22 ARG 74 1.546 1.158 -17.653 593 H THR 75 H THR 75 -0.968 -6.188 -16.984 594 HA THR 75 HA THR 75 -2.137 -8.760 -16.221 595 HB THR 75 HB THR 75 -2.295 -9.079 -18.706 596 HG1 THR 75 HG1 THR 75 -0.578 -7.800 -19.388 597 HG21 THR 75 HG21 THR 75 -4.135 -8.021 -17.434 598 HG22 THR 75 HG22 THR 75 -4.003 -7.377 -19.079 599 HG23 THR 75 HG23 THR 75 -3.405 -6.423 -17.705 600 H VAL 76 H VAL 76 -1.398 -10.809 -16.965 601 HA VAL 76 HA VAL 76 1.525 -11.083 -17.510 602 HB VAL 76 HB VAL 76 1.654 -12.984 -15.989 603 HG11 VAL 76 HG11 VAL 76 1.784 -11.770 -13.909 604 HG12 VAL 76 HG12 VAL 76 2.324 -10.721 -15.225 605 HG13 VAL 76 HG13 VAL 76 0.713 -10.492 -14.516 606 HG21 VAL 76 HG21 VAL 76 -0.030 -13.422 -14.276 607 HG22 VAL 76 HG22 VAL 76 -1.112 -12.201 -14.970 608 HG23 VAL 76 HG23 VAL 76 -0.719 -13.675 -15.881 609 H GLY 77 H GLY 77 2.171 -13.082 -18.460 610 HA2 GLY 77 HA2 GLY 77 0.309 -15.002 -19.586 611 HA3 GLY 77 HA3 GLY 77 0.837 -13.815 -20.780 Start of MODEL 18 1 HA MET 1 HA MET 1 -5.996 6.304 13.662 2 HB2 MET 1 HB2 MET 1 -6.341 8.764 13.901 3 HB3 MET 1 HB3 MET 1 -7.013 8.805 12.266 4 HG2 MET 1 HG2 MET 1 -8.816 7.243 12.997 5 HG3 MET 1 HG3 MET 1 -8.128 7.238 14.623 6 HE1 MET 1 HE1 MET 1 -11.428 9.239 15.150 7 HE2 MET 1 HE2 MET 1 -11.160 7.842 14.084 8 HE3 MET 1 HE3 MET 1 -10.409 7.888 15.698 9 H LYS 2 H LYS 2 -6.790 7.637 10.381 10 HA LYS 2 HA LYS 2 -7.475 4.856 9.486 11 HB2 LYS 2 HB2 LYS 2 -9.094 7.405 9.101 12 HB3 LYS 2 HB3 LYS 2 -9.367 5.913 8.199 13 HG2 LYS 2 HG2 LYS 2 -9.854 4.703 10.307 14 HG3 LYS 2 HG3 LYS 2 -9.621 6.208 11.216 15 HD2 LYS 2 HD2 LYS 2 -11.420 7.290 9.880 16 HD3 LYS 2 HD3 LYS 2 -11.726 5.763 9.047 17 HE2 LYS 2 HE2 LYS 2 -11.945 6.209 12.064 18 HE3 LYS 2 HE3 LYS 2 -13.301 6.299 10.942 19 HZ1 LYS 2 HZ1 LYS 2 -11.676 3.864 11.445 20 HZ2 LYS 2 HZ2 LYS 2 -12.909 3.960 10.367 21 HZ3 LYS 2 HZ3 LYS 2 -13.197 4.122 11.961 22 H ILE 3 H ILE 3 -7.325 4.444 7.324 23 HA ILE 3 HA ILE 3 -6.103 6.432 5.501 24 HB ILE 3 HB ILE 3 -4.545 4.837 4.574 25 HG12 ILE 3 HG12 ILE 3 -3.947 2.788 6.095 26 HG13 ILE 3 HG13 ILE 3 -5.625 2.858 6.601 27 HG21 ILE 3 HG21 ILE 3 -4.119 5.043 7.570 28 HG22 ILE 3 HG22 ILE 3 -2.883 4.892 6.307 29 HG23 ILE 3 HG23 ILE 3 -3.866 6.361 6.408 30 HD11 ILE 3 HD11 ILE 3 -4.654 2.597 3.709 31 HD12 ILE 3 HD12 ILE 3 -5.134 1.242 4.746 32 HD13 ILE 3 HD13 ILE 3 -6.336 2.438 4.261 33 H LYS 4 H LYS 4 -6.374 5.947 3.302 34 HA LYS 4 HA LYS 4 -8.580 4.054 2.590 35 HB2 LYS 4 HB2 LYS 4 -8.055 6.803 1.753 36 HB3 LYS 4 HB3 LYS 4 -7.961 5.723 0.361 37 HG2 LYS 4 HG2 LYS 4 -10.201 4.797 0.942 38 HG3 LYS 4 HG3 LYS 4 -10.290 5.924 2.311 39 HD2 LYS 4 HD2 LYS 4 -10.068 7.846 0.678 40 HD3 LYS 4 HD3 LYS 4 -10.030 6.672 -0.637 41 HE2 LYS 4 HE2 LYS 4 -12.249 7.363 -0.660 42 HE3 LYS 4 HE3 LYS 4 -12.322 5.841 0.235 43 HZ1 LYS 4 HZ1 LYS 4 -13.594 7.582 1.346 44 HZ2 LYS 4 HZ2 LYS 4 -12.292 8.563 1.446 45 HZ3 LYS 4 HZ3 LYS 4 -12.340 7.174 2.311 46 H ILE 5 H ILE 5 -8.203 2.558 0.994 47 HA ILE 5 HA ILE 5 -5.601 2.614 -0.422 48 HB ILE 5 HB ILE 5 -5.261 1.100 1.444 49 HG12 ILE 5 HG12 ILE 5 -5.429 -0.511 -1.140 50 HG13 ILE 5 HG13 ILE 5 -4.235 0.759 -0.870 51 HG21 ILE 5 HG21 ILE 5 -6.465 -1.008 1.690 52 HG22 ILE 5 HG22 ILE 5 -7.624 0.320 1.741 53 HG23 ILE 5 HG23 ILE 5 -7.469 -0.660 0.272 54 HD11 ILE 5 HD11 ILE 5 -3.236 -1.392 -0.357 55 HD12 ILE 5 HD12 ILE 5 -3.387 -0.444 1.134 56 HD13 ILE 5 HD13 ILE 5 -4.522 -1.776 0.796 57 H VAL 6 H VAL 6 -5.724 2.179 -2.539 58 HA VAL 6 HA VAL 6 -8.286 1.105 -3.655 59 HB VAL 6 HB VAL 6 -8.448 3.418 -3.874 60 HG11 VAL 6 HG11 VAL 6 -6.099 4.164 -3.791 61 HG12 VAL 6 HG12 VAL 6 -5.863 3.568 -5.450 62 HG13 VAL 6 HG13 VAL 6 -7.010 4.873 -5.132 63 HG21 VAL 6 HG21 VAL 6 -8.855 3.604 -6.237 64 HG22 VAL 6 HG22 VAL 6 -7.714 2.296 -6.604 65 HG23 VAL 6 HG23 VAL 6 -9.226 1.946 -5.736 66 HA PRO 7 HA PRO 7 -5.159 -1.406 -5.799 67 HB2 PRO 7 HB2 PRO 7 -6.399 -3.805 -5.662 68 HB3 PRO 7 HB3 PRO 7 -5.528 -3.118 -4.259 69 HG2 PRO 7 HG2 PRO 7 -8.509 -3.070 -4.802 70 HG3 PRO 7 HG3 PRO 7 -7.660 -3.470 -3.278 71 HD2 PRO 7 HD2 PRO 7 -8.710 -0.976 -3.851 72 HD3 PRO 7 HD3 PRO 7 -7.303 -1.223 -2.772 73 H ALA 8 H ALA 8 -5.122 -1.568 -7.956 74 HA ALA 8 HA ALA 8 -7.453 -1.211 -9.636 75 HB1 ALA 8 HB1 ALA 8 -4.582 -1.995 -10.289 76 HB2 ALA 8 HB2 ALA 8 -5.796 -1.392 -11.442 77 HB3 ALA 8 HB3 ALA 8 -5.204 -0.334 -10.151 78 H VAL 9 H VAL 9 -8.047 -3.368 -8.018 79 HA VAL 9 HA VAL 9 -8.047 -5.767 -9.791 80 HB VAL 9 HB VAL 9 -7.216 -5.802 -6.858 81 HG11 VAL 9 HG11 VAL 9 -8.382 -7.868 -7.433 82 HG12 VAL 9 HG12 VAL 9 -7.398 -8.051 -8.907 83 HG13 VAL 9 HG13 VAL 9 -6.659 -8.191 -7.301 84 HG21 VAL 9 HG21 VAL 9 -5.526 -6.290 -9.339 85 HG22 VAL 9 HG22 VAL 9 -5.351 -4.937 -8.197 86 HG23 VAL 9 HG23 VAL 9 -5.004 -6.579 -7.667 87 H GLY 10 H GLY 10 -9.863 -7.072 -9.581 88 HA2 GLY 10 HA2 GLY 10 -11.990 -7.736 -8.983 89 HA3 GLY 10 HA3 GLY 10 -11.624 -7.163 -7.358 90 H GLY 11 H GLY 11 -12.840 -5.523 -6.620 91 HA2 GLY 11 HA2 GLY 11 -14.865 -4.172 -8.168 92 HA3 GLY 11 HA3 GLY 11 -14.380 -3.819 -6.508 93 H GLY 12 H GLY 12 -11.481 -3.404 -7.683 94 HA2 GLY 12 HA2 GLY 12 -10.182 -1.742 -8.557 95 HA3 GLY 12 HA3 GLY 12 -11.520 -1.370 -9.635 96 H SER 13 H SER 13 -11.948 -1.017 -6.171 97 HA SER 13 HA SER 13 -12.205 1.948 -6.502 98 HB2 SER 13 HB2 SER 13 -14.150 0.001 -5.200 99 HB3 SER 13 HB3 SER 13 -14.295 1.762 -5.161 100 HG SER 13 HG SER 13 -14.389 0.060 -7.443 101 HA PRO 14 HA PRO 14 -10.098 2.417 -2.657 102 HB2 PRO 14 HB2 PRO 14 -11.237 4.663 -1.553 103 HB3 PRO 14 HB3 PRO 14 -10.131 4.700 -2.955 104 HG2 PRO 14 HG2 PRO 14 -13.165 4.715 -2.976 105 HG3 PRO 14 HG3 PRO 14 -12.040 5.783 -3.879 106 HD2 PRO 14 HD2 PRO 14 -13.146 3.629 -5.067 107 HD3 PRO 14 HD3 PRO 14 -11.435 4.047 -5.372 108 H LEU 15 H LEU 15 -10.168 1.804 -0.565 109 HA LEU 15 HA LEU 15 -12.774 1.318 0.821 110 HB2 LEU 15 HB2 LEU 15 -10.304 -0.455 0.722 111 HB3 LEU 15 HB3 LEU 15 -11.713 -0.756 1.732 112 HG LEU 15 HG LEU 15 -11.756 -0.730 -1.325 113 HD11 LEU 15 HD11 LEU 15 -11.718 -3.078 0.612 114 HD12 LEU 15 HD12 LEU 15 -10.388 -2.577 -0.457 115 HD13 LEU 15 HD13 LEU 15 -11.902 -3.171 -1.156 116 HD21 LEU 15 HD21 LEU 15 -13.827 -1.667 0.715 117 HD22 LEU 15 HD22 LEU 15 -13.943 -1.852 -1.051 118 HD23 LEU 15 HD23 LEU 15 -13.968 -0.238 -0.334 119 H GLU 16 H GLU 16 -12.860 1.841 2.939 120 HA GLU 16 HA GLU 16 -10.684 3.353 4.237 121 HB2 GLU 16 HB2 GLU 16 -13.480 2.478 5.056 122 HB3 GLU 16 HB3 GLU 16 -12.409 3.330 6.153 123 HG2 GLU 16 HG2 GLU 16 -13.315 4.413 3.446 124 HG3 GLU 16 HG3 GLU 16 -14.139 4.734 4.967 125 H LEU 17 H LEU 17 -9.275 2.590 5.723 126 HA LEU 17 HA LEU 17 -9.987 0.263 7.393 127 HB2 LEU 17 HB2 LEU 17 -7.451 0.404 5.702 128 HB3 LEU 17 HB3 LEU 17 -7.548 -0.516 7.189 129 HG LEU 17 HG LEU 17 -9.763 -1.529 5.935 130 HD11 LEU 17 HD11 LEU 17 -7.683 -1.108 3.742 131 HD12 LEU 17 HD12 LEU 17 -9.241 -0.268 3.806 132 HD13 LEU 17 HD13 LEU 17 -9.198 -2.024 3.599 133 HD21 LEU 17 HD21 LEU 17 -8.372 -3.487 5.397 134 HD22 LEU 17 HD22 LEU 17 -7.984 -2.838 6.994 135 HD23 LEU 17 HD23 LEU 17 -6.902 -2.512 5.622 136 H GLU 18 H GLU 18 -8.997 0.192 9.366 137 HA GLU 18 HA GLU 18 -7.438 2.551 10.293 138 HB2 GLU 18 HB2 GLU 18 -7.646 1.617 12.519 139 HB3 GLU 18 HB3 GLU 18 -9.224 1.874 11.777 140 HG2 GLU 18 HG2 GLU 18 -9.392 -0.571 11.290 141 HG3 GLU 18 HG3 GLU 18 -7.787 -0.825 12.002 142 H VAL 19 H VAL 19 -5.317 2.371 10.933 143 HA VAL 19 HA VAL 19 -3.901 -0.210 10.856 144 HB VAL 19 HB VAL 19 -2.055 0.638 9.496 145 HG11 VAL 19 HG11 VAL 19 -4.638 0.706 7.901 146 HG12 VAL 19 HG12 VAL 19 -3.008 0.340 7.307 147 HG13 VAL 19 HG13 VAL 19 -3.796 -0.765 8.441 148 HG21 VAL 19 HG21 VAL 19 -3.851 2.980 8.768 149 HG22 VAL 19 HG22 VAL 19 -2.336 3.068 9.694 150 HG23 VAL 19 HG23 VAL 19 -2.302 2.570 8.004 151 H ALA 20 H ALA 20 -1.973 -0.241 12.041 152 HA ALA 20 HA ALA 20 -1.762 1.706 14.187 153 HB1 ALA 20 HB1 ALA 20 -1.375 -0.710 14.538 154 HB2 ALA 20 HB2 ALA 20 0.005 -0.664 13.414 155 HB3 ALA 20 HB3 ALA 20 0.073 0.226 14.952 156 HA PRO 21 HA PRO 21 1.415 4.324 12.243 157 HB2 PRO 21 HB2 PRO 21 2.777 5.261 14.419 158 HB3 PRO 21 HB3 PRO 21 1.122 5.797 14.004 159 HG2 PRO 21 HG2 PRO 21 1.936 3.631 15.973 160 HG3 PRO 21 HG3 PRO 21 0.818 5.003 16.254 161 HD2 PRO 21 HD2 PRO 21 -0.088 2.533 15.607 162 HD3 PRO 21 HD3 PRO 21 -0.882 3.989 14.944 163 H ASN 22 H ASN 22 2.163 1.582 14.274 164 HA ASN 22 HA ASN 22 4.970 1.330 13.501 165 HB2 ASN 22 HB2 ASN 22 3.012 -0.442 15.009 166 HB3 ASN 22 HB3 ASN 22 4.656 -0.941 14.627 167 HD21 ASN 22 HD21 ASN 22 2.863 0.512 17.074 168 HD22 ASN 22 HD22 ASN 22 4.196 1.332 17.864 169 H ALA 23 H ALA 23 2.239 0.916 11.598 170 HA ALA 23 HA ALA 23 2.867 -1.509 10.193 171 HB1 ALA 23 HB1 ALA 23 0.688 -0.375 9.990 172 HB2 ALA 23 HB2 ALA 23 1.471 1.020 9.220 173 HB3 ALA 23 HB3 ALA 23 1.460 -0.554 8.409 174 H THR 24 H THR 24 4.118 -1.903 8.385 175 HA THR 24 HA THR 24 6.123 0.186 7.647 176 HB THR 24 HB THR 24 7.885 -1.209 7.766 177 HG1 THR 24 HG1 THR 24 7.750 -3.468 7.768 178 HG21 THR 24 HG21 THR 24 6.173 -2.675 9.821 179 HG22 THR 24 HG22 THR 24 6.875 -1.066 10.094 180 HG23 THR 24 HG23 THR 24 7.937 -2.454 9.818 181 H VAL 25 H VAL 25 6.941 0.194 5.517 182 HA VAL 25 HA VAL 25 5.109 -0.492 3.427 183 HB VAL 25 HB VAL 25 7.020 -0.039 1.882 184 HG11 VAL 25 HG11 VAL 25 6.510 2.032 4.052 185 HG12 VAL 25 HG12 VAL 25 7.166 2.339 2.431 186 HG13 VAL 25 HG13 VAL 25 5.512 1.726 2.609 187 HG21 VAL 25 HG21 VAL 25 9.085 0.951 2.764 188 HG22 VAL 25 HG22 VAL 25 8.616 0.559 4.421 189 HG23 VAL 25 HG23 VAL 25 8.955 -0.743 3.250 190 H GLY 26 H GLY 26 7.784 -2.323 4.835 191 HA2 GLY 26 HA2 GLY 26 7.901 -4.449 2.893 192 HA3 GLY 26 HA3 GLY 26 8.434 -4.516 4.580 193 H ALA 27 H ALA 27 6.177 -4.152 6.058 194 HA ALA 27 HA ALA 27 4.877 -6.677 5.957 195 HB1 ALA 27 HB1 ALA 27 4.077 -4.104 7.394 196 HB2 ALA 27 HB2 ALA 27 3.485 -5.738 7.765 197 HB3 ALA 27 HB3 ALA 27 5.196 -5.344 8.007 198 H VAL 28 H VAL 28 3.738 -3.460 4.808 199 HA VAL 28 HA VAL 28 1.148 -4.363 3.895 200 HB VAL 28 HB VAL 28 2.901 -2.036 3.022 201 HG11 VAL 28 HG11 VAL 28 1.402 -2.540 1.141 202 HG12 VAL 28 HG12 VAL 28 0.011 -2.635 2.246 203 HG13 VAL 28 HG13 VAL 28 0.848 -1.089 1.978 204 HG21 VAL 28 HG21 VAL 28 0.356 -2.148 4.710 205 HG22 VAL 28 HG22 VAL 28 1.994 -1.929 5.351 206 HG23 VAL 28 HG23 VAL 28 1.291 -0.692 4.304 207 H ARG 29 H ARG 29 4.289 -4.056 2.124 208 HA ARG 29 HA ARG 29 3.240 -5.029 -0.341 209 HB2 ARG 29 HB2 ARG 29 5.275 -3.682 -0.024 210 HB3 ARG 29 HB3 ARG 29 6.113 -5.054 0.690 211 HG2 ARG 29 HG2 ARG 29 4.894 -5.189 -2.101 212 HG3 ARG 29 HG3 ARG 29 6.442 -4.399 -1.841 213 HD2 ARG 29 HD2 ARG 29 5.854 -7.307 -1.162 214 HD3 ARG 29 HD3 ARG 29 6.675 -6.720 -2.613 215 HE ARG 29 HE ARG 29 8.143 -5.632 -0.531 216 HH11 ARG 29 HH11 ARG 29 7.371 -8.923 -1.468 217 HH12 ARG 29 HH12 ARG 29 8.841 -9.553 -0.774 218 HH21 ARG 29 HH21 ARG 29 9.975 -6.500 0.338 219 HH22 ARG 29 HH22 ARG 29 10.274 -8.208 0.230 220 H THR 30 H THR 30 4.865 -6.904 2.295 221 HA THR 30 HA THR 30 4.731 -9.394 0.826 222 HB THR 30 HB THR 30 5.174 -10.500 2.974 223 HG1 THR 30 HG1 THR 30 5.491 -9.272 4.799 224 HG21 THR 30 HG21 THR 30 7.393 -9.529 3.403 225 HG22 THR 30 HG22 THR 30 6.964 -8.091 2.456 226 HG23 THR 30 HG23 THR 30 7.070 -9.675 1.667 227 H LYS 31 H LYS 31 2.472 -7.892 3.191 228 HA LYS 31 HA LYS 31 0.572 -10.023 3.277 229 HB2 LYS 31 HB2 LYS 31 0.585 -7.986 4.755 230 HB3 LYS 31 HB3 LYS 31 0.093 -7.011 3.381 231 HG2 LYS 31 HG2 LYS 31 -1.958 -7.299 4.261 232 HG3 LYS 31 HG3 LYS 31 -1.955 -8.788 3.333 233 HD2 LYS 31 HD2 LYS 31 -1.282 -8.469 6.295 234 HD3 LYS 31 HD3 LYS 31 -2.778 -9.119 5.617 235 HE2 LYS 31 HE2 LYS 31 -1.493 -11.002 4.601 236 HE3 LYS 31 HE3 LYS 31 -0.010 -10.370 5.336 237 HZ1 LYS 31 HZ1 LYS 31 -1.039 -10.684 7.525 238 HZ2 LYS 31 HZ2 LYS 31 -1.000 -12.101 6.719 239 HZ3 LYS 31 HZ3 LYS 31 -2.402 -11.278 6.847 240 H VAL 32 H VAL 32 0.801 -7.286 0.987 241 HA VAL 32 HA VAL 32 -1.439 -8.033 -0.644 242 HB VAL 32 HB VAL 32 1.024 -6.339 -1.175 243 HG11 VAL 32 HG11 VAL 32 0.258 -7.079 -3.378 244 HG12 VAL 32 HG12 VAL 32 -1.427 -6.691 -2.954 245 HG13 VAL 32 HG13 VAL 32 -0.216 -5.399 -3.118 246 HG21 VAL 32 HG21 VAL 32 -0.732 -5.579 0.526 247 HG22 VAL 32 HG22 VAL 32 -0.457 -4.486 -0.828 248 HG23 VAL 32 HG23 VAL 32 -1.896 -5.544 -0.803 249 H CYS 33 H CYS 33 2.074 -8.763 -1.076 250 HA CYS 33 HA CYS 33 1.742 -10.314 -3.444 251 HB2 CYS 33 HB2 CYS 33 3.867 -10.480 -1.261 252 HB3 CYS 33 HB3 CYS 33 3.949 -11.305 -2.832 253 HG CYS 33 HG CYS 33 3.732 -8.093 -2.133 254 H ALA 34 H ALA 34 1.679 -11.390 -0.002 255 HA ALA 34 HA ALA 34 1.257 -14.157 -0.584 256 HB1 ALA 34 HB1 ALA 34 0.517 -12.502 1.869 257 HB2 ALA 34 HB2 ALA 34 0.608 -14.276 1.792 258 HB3 ALA 34 HB3 ALA 34 2.079 -13.304 1.577 259 H MET 35 H MET 35 -1.099 -11.492 -0.011 260 HA MET 35 HA MET 35 -3.454 -13.104 -0.099 261 HB2 MET 35 HB2 MET 35 -3.306 -10.815 0.833 262 HB3 MET 35 HB3 MET 35 -3.071 -10.164 -0.797 263 HG2 MET 35 HG2 MET 35 -5.319 -11.067 -1.439 264 HG3 MET 35 HG3 MET 35 -5.522 -11.650 0.216 265 HE1 MET 35 HE1 MET 35 -7.738 -9.934 -1.124 266 HE2 MET 35 HE2 MET 35 -7.794 -10.447 0.577 267 HE3 MET 35 HE3 MET 35 -8.102 -8.751 0.151 268 H LYS 36 H LYS 36 -1.735 -11.357 -2.723 269 HA LYS 36 HA LYS 36 -3.507 -12.335 -4.857 270 HB2 LYS 36 HB2 LYS 36 -0.716 -11.109 -4.905 271 HB3 LYS 36 HB3 LYS 36 -1.686 -11.415 -6.336 272 HG2 LYS 36 HG2 LYS 36 -2.566 -9.509 -4.116 273 HG3 LYS 36 HG3 LYS 36 -1.589 -9.042 -5.492 274 HD2 LYS 36 HD2 LYS 36 -3.702 -8.409 -6.169 275 HD3 LYS 36 HD3 LYS 36 -3.449 -9.926 -7.008 276 HE2 LYS 36 HE2 LYS 36 -5.696 -9.923 -6.234 277 HE3 LYS 36 HE3 LYS 36 -4.842 -11.077 -5.227 278 HZ1 LYS 36 HZ1 LYS 36 -5.502 -8.282 -4.444 279 HZ2 LYS 36 HZ2 LYS 36 -4.712 -9.344 -3.489 280 HZ3 LYS 36 HZ3 LYS 36 -6.267 -9.617 -3.909 281 H LYS 37 H LYS 37 -0.759 -13.641 -3.236 282 HA LYS 37 HA LYS 37 0.594 -15.392 -3.457 283 HB2 LYS 37 HB2 LYS 37 -1.741 -16.578 -3.708 284 HB3 LYS 37 HB3 LYS 37 -1.242 -16.812 -5.381 285 HG2 LYS 37 HG2 LYS 37 1.037 -17.651 -4.005 286 HG3 LYS 37 HG3 LYS 37 -0.219 -18.004 -2.825 287 HD2 LYS 37 HD2 LYS 37 0.098 -19.989 -4.089 288 HD3 LYS 37 HD3 LYS 37 -1.437 -19.310 -4.674 289 HE2 LYS 37 HE2 LYS 37 -0.241 -18.307 -6.628 290 HE3 LYS 37 HE3 LYS 37 1.301 -18.895 -6.007 291 HZ1 LYS 37 HZ1 LYS 37 0.429 -20.378 -7.713 292 HZ2 LYS 37 HZ2 LYS 37 -0.955 -20.627 -6.880 293 HZ3 LYS 37 HZ3 LYS 37 0.471 -21.175 -6.288 294 H LEU 38 H LEU 38 0.969 -13.169 -5.155 295 HA LEU 38 HA LEU 38 2.341 -14.337 -7.547 296 HB2 LEU 38 HB2 LEU 38 0.501 -11.986 -7.281 297 HB3 LEU 38 HB3 LEU 38 1.955 -11.717 -8.219 298 HG LEU 38 HG LEU 38 1.421 -13.680 -9.656 299 HD11 LEU 38 HD11 LEU 38 -0.869 -14.557 -9.719 300 HD12 LEU 38 HD12 LEU 38 -1.290 -13.619 -8.272 301 HD13 LEU 38 HD13 LEU 38 -0.114 -14.950 -8.173 302 HD21 LEU 38 HD21 LEU 38 -0.757 -11.550 -9.506 303 HD22 LEU 38 HD22 LEU 38 -0.316 -12.523 -10.933 304 HD23 LEU 38 HD23 LEU 38 0.834 -11.355 -10.266 305 HA PRO 39 HA PRO 39 6.083 -12.594 -6.003 306 HB2 PRO 39 HB2 PRO 39 7.523 -12.006 -8.263 307 HB3 PRO 39 HB3 PRO 39 7.146 -13.680 -7.749 308 HG2 PRO 39 HG2 PRO 39 5.668 -11.967 -9.764 309 HG3 PRO 39 HG3 PRO 39 6.238 -13.655 -9.964 310 HD2 PRO 39 HD2 PRO 39 3.678 -13.078 -9.259 311 HD3 PRO 39 HD3 PRO 39 4.525 -14.496 -8.574 312 HA PRO 40 HA PRO 40 5.624 -8.315 -5.498 313 HB2 PRO 40 HB2 PRO 40 8.167 -7.321 -5.116 314 HB3 PRO 40 HB3 PRO 40 7.317 -8.387 -3.956 315 HG2 PRO 40 HG2 PRO 40 9.308 -9.211 -6.092 316 HG3 PRO 40 HG3 PRO 40 9.318 -9.632 -4.345 317 HD2 PRO 40 HD2 PRO 40 8.281 -11.336 -6.152 318 HD3 PRO 40 HD3 PRO 40 7.436 -11.074 -4.597 319 H ASP 41 H ASP 41 7.753 -9.126 -8.249 320 HA ASP 41 HA ASP 41 7.830 -6.440 -9.271 321 HB2 ASP 41 HB2 ASP 41 9.439 -8.316 -9.785 322 HB3 ASP 41 HB3 ASP 41 8.203 -9.012 -10.837 323 H THR 42 H THR 42 5.274 -8.820 -9.387 324 HA THR 42 HA THR 42 4.009 -7.658 -11.773 325 HB THR 42 HB THR 42 2.786 -9.681 -9.880 326 HG1 THR 42 HG1 THR 42 4.459 -10.133 -12.129 327 HG21 THR 42 HG21 THR 42 1.164 -9.018 -11.513 328 HG22 THR 42 HG22 THR 42 1.855 -10.515 -12.144 329 HG23 THR 42 HG23 THR 42 2.376 -8.961 -12.813 330 H THR 43 H THR 43 4.258 -6.475 -8.703 331 HA THR 43 HA THR 43 1.749 -4.907 -8.946 332 HB THR 43 HB THR 43 1.294 -6.734 -7.386 333 HG1 THR 43 HG1 THR 43 0.511 -5.433 -5.778 334 HG21 THR 43 HG21 THR 43 2.340 -6.787 -5.155 335 HG22 THR 43 HG22 THR 43 3.490 -5.519 -5.634 336 HG23 THR 43 HG23 THR 43 3.533 -7.118 -6.410 337 H ARG 44 H ARG 44 1.747 -2.898 -7.791 338 HA ARG 44 HA ARG 44 4.334 -1.826 -6.809 339 HB2 ARG 44 HB2 ARG 44 2.699 -0.536 -9.039 340 HB3 ARG 44 HB3 ARG 44 3.979 0.283 -8.157 341 HG2 ARG 44 HG2 ARG 44 4.369 -2.168 -9.929 342 HG3 ARG 44 HG3 ARG 44 4.686 -0.498 -10.382 343 HD2 ARG 44 HD2 ARG 44 6.381 -0.287 -8.599 344 HD3 ARG 44 HD3 ARG 44 6.119 -1.961 -8.120 345 HE ARG 44 HE ARG 44 7.642 -0.984 -10.411 346 HH11 ARG 44 HH11 ARG 44 5.971 -3.838 -9.181 347 HH12 ARG 44 HH12 ARG 44 6.731 -4.851 -10.394 348 HH21 ARG 44 HH21 ARG 44 8.773 -2.487 -11.682 349 HH22 ARG 44 HH22 ARG 44 8.449 -4.196 -11.456 350 H LEU 45 H LEU 45 4.167 -0.381 -5.240 351 HA LEU 45 HA LEU 45 1.485 0.605 -4.358 352 HB2 LEU 45 HB2 LEU 45 2.287 -0.914 -2.712 353 HB3 LEU 45 HB3 LEU 45 3.933 -0.297 -2.831 354 HG LEU 45 HG LEU 45 3.239 1.835 -1.753 355 HD11 LEU 45 HD11 LEU 45 0.786 1.776 -2.323 356 HD12 LEU 45 HD12 LEU 45 1.117 2.032 -0.607 357 HD13 LEU 45 HD13 LEU 45 0.600 0.434 -1.172 358 HD21 LEU 45 HD21 LEU 45 2.994 0.907 0.506 359 HD22 LEU 45 HD22 LEU 45 4.203 0.014 -0.430 360 HD23 LEU 45 HD23 LEU 45 2.589 -0.684 -0.178 361 H THR 46 H THR 46 1.195 2.752 -4.365 362 HA THR 46 HA THR 46 3.534 4.546 -3.999 363 HB THR 46 HB THR 46 2.736 6.133 -5.681 364 HG1 THR 46 HG1 THR 46 1.067 4.023 -6.549 365 HG21 THR 46 HG21 THR 46 4.530 4.553 -6.314 366 HG22 THR 46 HG22 THR 46 3.516 5.027 -7.687 367 HG23 THR 46 HG23 THR 46 3.311 3.426 -6.949 368 H TYR 47 H TYR 47 3.096 6.613 -3.255 369 HA TYR 47 HA TYR 47 0.439 7.298 -2.168 370 HB2 TYR 47 HB2 TYR 47 1.209 5.948 -0.366 371 HB3 TYR 47 HB3 TYR 47 2.860 6.523 -0.524 372 HD1 TYR 47 HD1 TYR 47 -0.552 8.049 0.105 373 HD2 TYR 47 HD2 TYR 47 3.646 7.970 1.093 374 HE1 TYR 47 HE1 TYR 47 -0.889 9.913 1.727 375 HE2 TYR 47 HE2 TYR 47 3.301 9.795 2.740 376 HH TYR 47 HH TYR 47 1.773 11.244 3.712 377 H LYS 48 H LYS 48 0.167 9.483 -2.104 378 HA LYS 48 HA LYS 48 0.506 11.672 -2.633 379 HB2 LYS 48 HB2 LYS 48 1.700 11.039 -0.297 380 HB3 LYS 48 HB3 LYS 48 3.093 11.718 -1.095 381 HG2 LYS 48 HG2 LYS 48 0.366 13.052 -0.696 382 HG3 LYS 48 HG3 LYS 48 1.764 13.303 0.335 383 HD2 LYS 48 HD2 LYS 48 1.590 14.108 -2.599 384 HD3 LYS 48 HD3 LYS 48 1.368 15.179 -1.215 385 HE2 LYS 48 HE2 LYS 48 3.666 14.770 -0.450 386 HE3 LYS 48 HE3 LYS 48 3.924 13.613 -1.760 387 HZ1 LYS 48 HZ1 LYS 48 3.360 16.501 -2.159 388 HZ2 LYS 48 HZ2 LYS 48 3.629 15.411 -3.351 389 HZ3 LYS 48 HZ3 LYS 48 4.824 15.799 -2.314 390 H GLY 49 H GLY 49 1.341 10.059 -4.739 391 HA2 GLY 49 HA2 GLY 49 2.316 10.321 -6.819 392 HA3 GLY 49 HA3 GLY 49 2.940 11.886 -6.310 393 H ARG 50 H ARG 50 3.877 9.226 -4.291 394 HA ARG 50 HA ARG 50 6.579 9.009 -5.555 395 HB2 ARG 50 HB2 ARG 50 5.982 10.449 -3.247 396 HB3 ARG 50 HB3 ARG 50 6.339 8.876 -2.573 397 HG2 ARG 50 HG2 ARG 50 8.352 10.117 -2.527 398 HG3 ARG 50 HG3 ARG 50 8.569 8.951 -3.836 399 HD2 ARG 50 HD2 ARG 50 8.101 10.698 -5.512 400 HD3 ARG 50 HD3 ARG 50 7.602 11.818 -4.249 401 HE ARG 50 HE ARG 50 9.809 12.237 -3.645 402 HH11 ARG 50 HH11 ARG 50 9.860 9.756 -6.130 403 HH12 ARG 50 HH12 ARG 50 11.574 9.934 -6.383 404 HH21 ARG 50 HH21 ARG 50 11.974 12.413 -4.040 405 HH22 ARG 50 HH22 ARG 50 12.730 11.402 -5.236 406 H ALA 51 H ALA 51 7.711 7.053 -5.227 407 HA ALA 51 HA ALA 51 6.204 4.661 -4.345 408 HB1 ALA 51 HB1 ALA 51 8.300 3.481 -4.876 409 HB2 ALA 51 HB2 ALA 51 7.764 4.477 -6.244 410 HB3 ALA 51 HB3 ALA 51 9.106 5.028 -5.213 411 H LEU 52 H LEU 52 6.359 3.790 -2.311 412 HA LEU 52 HA LEU 52 8.019 5.255 -0.307 413 HB2 LEU 52 HB2 LEU 52 5.394 5.191 -0.276 414 HB3 LEU 52 HB3 LEU 52 5.605 3.554 0.334 415 HG LEU 52 HG LEU 52 7.036 4.562 2.208 416 HD11 LEU 52 HD11 LEU 52 5.957 7.174 1.055 417 HD12 LEU 52 HD12 LEU 52 7.664 6.721 1.243 418 HD13 LEU 52 HD13 LEU 52 6.671 7.000 2.672 419 HD21 LEU 52 HD21 LEU 52 4.171 5.587 1.971 420 HD22 LEU 52 HD22 LEU 52 5.099 5.387 3.478 421 HD23 LEU 52 HD23 LEU 52 4.645 3.968 2.523 422 H LYS 53 H LYS 53 9.787 4.259 0.321 423 HA LYS 53 HA LYS 53 9.949 1.307 0.587 424 HB2 LYS 53 HB2 LYS 53 10.481 2.148 -1.831 425 HB3 LYS 53 HB3 LYS 53 11.914 2.874 -1.122 426 HG2 LYS 53 HG2 LYS 53 12.708 0.831 -1.921 427 HG3 LYS 53 HG3 LYS 53 12.478 0.502 -0.211 428 HD2 LYS 53 HD2 LYS 53 11.611 -1.409 -1.342 429 HD3 LYS 53 HD3 LYS 53 10.188 -0.515 -0.815 430 HE2 LYS 53 HE2 LYS 53 9.750 -1.217 -3.056 431 HE3 LYS 53 HE3 LYS 53 10.041 0.522 -3.130 432 HZ1 LYS 53 HZ1 LYS 53 12.318 0.030 -3.914 433 HZ2 LYS 53 HZ2 LYS 53 11.228 -0.663 -4.896 434 HZ3 LYS 53 HZ3 LYS 53 12.043 -1.577 -3.827 435 H ASP 54 H ASP 54 11.471 0.609 2.010 436 HA ASP 54 HA ASP 54 12.814 0.612 3.804 437 HB2 ASP 54 HB2 ASP 54 14.311 0.948 1.788 438 HB3 ASP 54 HB3 ASP 54 14.463 2.637 2.268 439 H THR 55 H THR 55 10.656 2.621 4.042 440 HA THR 55 HA THR 55 11.640 4.877 5.587 441 HB THR 55 HB THR 55 9.215 5.147 6.141 442 HG1 THR 55 HG1 THR 55 7.757 3.771 5.179 443 HG21 THR 55 HG21 THR 55 10.192 6.093 4.019 444 HG22 THR 55 HG22 THR 55 8.464 5.738 3.934 445 HG23 THR 55 HG23 THR 55 9.628 4.643 3.167 446 H GLU 56 H GLU 56 10.739 1.635 6.327 447 HA GLU 56 HA GLU 56 10.588 0.325 8.100 448 HB2 GLU 56 HB2 GLU 56 12.847 1.567 8.594 449 HB3 GLU 56 HB3 GLU 56 11.935 2.265 9.968 450 HG2 GLU 56 HG2 GLU 56 11.395 -0.092 10.743 451 HG3 GLU 56 HG3 GLU 56 12.195 -0.756 9.298 452 H THR 57 H THR 57 9.748 3.646 9.168 453 HA THR 57 HA THR 57 7.038 2.752 9.851 454 HB THR 57 HB THR 57 7.414 4.276 12.062 455 HG1 THR 57 HG1 THR 57 9.597 4.446 12.067 456 HG21 THR 57 HG21 THR 57 6.343 2.039 11.906 457 HG22 THR 57 HG22 THR 57 7.312 2.275 13.362 458 HG23 THR 57 HG23 THR 57 7.943 1.279 12.027 459 H LEU 58 H LEU 58 5.506 4.299 9.572 460 HA LEU 58 HA LEU 58 6.170 6.632 8.044 461 HB2 LEU 58 HB2 LEU 58 3.660 5.555 9.369 462 HB3 LEU 58 HB3 LEU 58 3.675 7.178 8.696 463 HG LEU 58 HG LEU 58 4.262 6.341 6.473 464 HD11 LEU 58 HD11 LEU 58 4.067 3.919 5.946 465 HD12 LEU 58 HD12 LEU 58 4.014 3.552 7.685 466 HD13 LEU 58 HD13 LEU 58 5.471 4.271 6.952 467 HD21 LEU 58 HD21 LEU 58 2.097 5.301 5.971 468 HD22 LEU 58 HD22 LEU 58 1.898 6.617 7.138 469 HD23 LEU 58 HD23 LEU 58 1.853 4.927 7.694 470 H GLU 59 H GLU 59 5.466 6.255 11.525 471 HA GLU 59 HA GLU 59 5.338 9.057 12.112 472 HB2 GLU 59 HB2 GLU 59 5.521 8.416 14.424 473 HB3 GLU 59 HB3 GLU 59 4.383 7.371 13.576 474 HG2 GLU 59 HG2 GLU 59 6.000 5.547 13.521 475 HG3 GLU 59 HG3 GLU 59 7.273 6.595 14.156 476 H SER 60 H SER 60 8.127 7.092 11.436 477 HA SER 60 HA SER 60 10.072 8.789 12.778 478 HB2 SER 60 HB2 SER 60 10.465 6.827 10.487 479 HB3 SER 60 HB3 SER 60 11.724 7.495 11.538 480 HG SER 60 HG SER 60 10.829 6.401 13.279 481 H LEU 61 H LEU 61 8.483 8.876 9.637 482 HA LEU 61 HA LEU 61 10.257 11.083 8.671 483 HB2 LEU 61 HB2 LEU 61 8.135 9.409 7.250 484 HB3 LEU 61 HB3 LEU 61 8.950 10.807 6.568 485 HG LEU 61 HG LEU 61 11.180 9.538 7.070 486 HD11 LEU 61 HD11 LEU 61 9.188 7.225 7.043 487 HD12 LEU 61 HD12 LEU 61 10.318 7.626 8.347 488 HD13 LEU 61 HD13 LEU 61 10.947 7.060 6.809 489 HD21 LEU 61 HD21 LEU 61 9.280 8.597 4.882 490 HD22 LEU 61 HD22 LEU 61 11.053 8.432 4.878 491 HD23 LEU 61 HD23 LEU 61 10.320 10.039 4.820 492 H GLY 62 H GLY 62 6.854 10.360 9.446 493 HA2 GLY 62 HA2 GLY 62 5.928 12.539 10.674 494 HA3 GLY 62 HA3 GLY 62 6.014 13.173 9.029 495 H VAL 63 H VAL 63 4.354 11.019 11.191 496 HA VAL 63 HA VAL 63 2.602 9.809 9.192 497 HB VAL 63 HB VAL 63 3.253 8.599 11.204 498 HG11 VAL 63 HG11 VAL 63 1.479 10.517 12.775 499 HG12 VAL 63 HG12 VAL 63 2.275 9.059 13.394 500 HG13 VAL 63 HG13 VAL 63 3.250 10.439 12.876 501 HG21 VAL 63 HG21 VAL 63 1.156 8.008 10.021 502 HG22 VAL 63 HG22 VAL 63 1.141 7.600 11.741 503 HG23 VAL 63 HG23 VAL 63 0.245 9.017 11.172 504 H ALA 64 H ALA 64 0.404 10.175 8.874 505 HA ALA 64 HA ALA 64 -0.942 12.472 10.114 506 HB1 ALA 64 HB1 ALA 64 -1.473 13.502 7.930 507 HB2 ALA 64 HB2 ALA 64 0.273 13.492 8.224 508 HB3 ALA 64 HB3 ALA 64 -0.443 12.309 7.109 509 H ASP 65 H ASP 65 -3.239 12.616 9.379 510 HA ASP 65 HA ASP 65 -4.441 9.897 9.181 511 HB2 ASP 65 HB2 ASP 65 -5.632 12.562 10.026 512 HB3 ASP 65 HB3 ASP 65 -6.507 11.029 9.948 513 H GLY 66 H GLY 66 -5.972 9.307 7.675 514 HA2 GLY 66 HA2 GLY 66 -7.351 9.442 5.838 515 HA3 GLY 66 HA3 GLY 66 -7.075 11.181 5.731 516 H ASP 67 H ASP 67 -4.255 9.113 5.741 517 HA ASP 67 HA ASP 67 -3.344 9.919 3.145 518 HB2 ASP 67 HB2 ASP 67 -2.491 7.545 4.840 519 HB3 ASP 67 HB3 ASP 67 -1.637 8.144 3.430 520 H LYS 68 H LYS 68 -3.291 8.861 1.159 521 HA LYS 68 HA LYS 68 -5.174 6.554 0.805 522 HB2 LYS 68 HB2 LYS 68 -4.703 8.818 -1.162 523 HB3 LYS 68 HB3 LYS 68 -5.782 7.440 -1.347 524 HG2 LYS 68 HG2 LYS 68 -7.404 8.763 -0.534 525 HG3 LYS 68 HG3 LYS 68 -6.698 8.444 1.039 526 HD2 LYS 68 HD2 LYS 68 -7.015 10.798 0.924 527 HD3 LYS 68 HD3 LYS 68 -5.287 10.523 0.770 528 HE2 LYS 68 HE2 LYS 68 -5.824 12.194 -0.820 529 HE3 LYS 68 HE3 LYS 68 -5.536 10.718 -1.748 530 HZ1 LYS 68 HZ1 LYS 68 -7.531 11.902 -2.497 531 HZ2 LYS 68 HZ2 LYS 68 -8.227 11.790 -1.031 532 HZ3 LYS 68 HZ3 LYS 68 -7.965 10.444 -1.925 533 H PHE 69 H PHE 69 -4.091 4.785 0.420 534 HA PHE 69 HA PHE 69 -1.520 4.805 -1.064 535 HB2 PHE 69 HB2 PHE 69 -2.979 2.517 0.284 536 HB3 PHE 69 HB3 PHE 69 -1.317 2.517 -0.290 537 HD1 PHE 69 HD1 PHE 69 -0.624 5.389 0.897 538 HD2 PHE 69 HD2 PHE 69 -2.468 1.841 2.523 539 HE1 PHE 69 HE1 PHE 69 0.118 6.043 3.160 540 HE2 PHE 69 HE2 PHE 69 -1.720 2.505 4.794 541 HZ PHE 69 HZ PHE 69 -0.437 4.613 5.120 542 H VAL 70 H VAL 70 -1.265 4.139 -3.116 543 HA VAL 70 HA VAL 70 -3.642 3.020 -4.564 544 HB VAL 70 HB VAL 70 -1.302 4.595 -5.670 545 HG11 VAL 70 HG11 VAL 70 -2.658 4.679 -7.748 546 HG12 VAL 70 HG12 VAL 70 -2.195 3.028 -7.343 547 HG13 VAL 70 HG13 VAL 70 -3.853 3.586 -7.012 548 HG21 VAL 70 HG21 VAL 70 -2.773 6.067 -4.367 549 HG22 VAL 70 HG22 VAL 70 -2.959 6.378 -6.096 550 HG23 VAL 70 HG23 VAL 70 -4.196 5.441 -5.229 551 H LEU 71 H LEU 71 -3.555 1.058 -5.345 552 HA LEU 71 HA LEU 71 -0.945 -0.404 -5.535 553 HB2 LEU 71 HB2 LEU 71 -3.587 -1.093 -4.374 554 HB3 LEU 71 HB3 LEU 71 -2.932 -2.319 -5.458 555 HG LEU 71 HG LEU 71 -0.890 -2.487 -4.117 556 HD11 LEU 71 HD11 LEU 71 -2.228 -0.413 -2.317 557 HD12 LEU 71 HD12 LEU 71 -0.688 -0.242 -3.186 558 HD13 LEU 71 HD13 LEU 71 -0.819 -1.405 -1.862 559 HD21 LEU 71 HD21 LEU 71 -2.832 -3.907 -3.617 560 HD22 LEU 71 HD22 LEU 71 -3.500 -2.661 -2.539 561 HD23 LEU 71 HD23 LEU 71 -1.987 -3.483 -2.121 562 H ILE 72 H ILE 72 -0.310 -0.828 -7.503 563 HA ILE 72 HA ILE 72 -2.303 -1.068 -9.738 564 HB ILE 72 HB ILE 72 0.574 -0.128 -9.866 565 HG12 ILE 72 HG12 ILE 72 -0.773 1.618 -8.853 566 HG13 ILE 72 HG13 ILE 72 -0.271 2.066 -10.467 567 HG21 ILE 72 HG21 ILE 72 0.012 0.451 -12.235 568 HG22 ILE 72 HG22 ILE 72 0.012 -1.286 -11.917 569 HG23 ILE 72 HG23 ILE 72 -1.528 -0.415 -12.051 570 HD11 ILE 72 HD11 ILE 72 -2.565 2.778 -10.042 571 HD12 ILE 72 HD12 ILE 72 -2.552 1.573 -11.333 572 HD13 ILE 72 HD13 ILE 72 -3.069 1.118 -9.692 573 H THR 73 H THR 73 -2.455 -2.969 -10.682 574 HA THR 73 HA THR 73 -0.344 -5.042 -10.279 575 HB THR 73 HB THR 73 -2.680 -5.601 -9.569 576 HG1 THR 73 HG1 THR 73 -1.321 -7.255 -10.038 577 HG21 THR 73 HG21 THR 73 -3.964 -4.506 -11.397 578 HG22 THR 73 HG22 THR 73 -4.314 -6.240 -11.290 579 HG23 THR 73 HG23 THR 73 -3.257 -5.640 -12.572 580 H ARG 74 H ARG 74 0.329 -6.319 -12.087 581 HA ARG 74 HA ARG 74 -0.113 -5.117 -14.803 582 HB2 ARG 74 HB2 ARG 74 2.452 -6.269 -13.634 583 HB3 ARG 74 HB3 ARG 74 2.132 -6.240 -15.364 584 HG2 ARG 74 HG2 ARG 74 3.337 -4.305 -15.098 585 HG3 ARG 74 HG3 ARG 74 1.673 -3.731 -15.134 586 HD2 ARG 74 HD2 ARG 74 1.758 -3.712 -12.564 587 HD3 ARG 74 HD3 ARG 74 3.485 -4.020 -12.691 588 HE ARG 74 HE ARG 74 2.032 -1.535 -13.226 589 HH11 ARG 74 HH11 ARG 74 5.069 -3.140 -13.992 590 HH12 ARG 74 HH12 ARG 74 5.825 -1.651 -14.488 591 HH21 ARG 74 HH21 ARG 74 3.070 0.314 -13.864 592 HH22 ARG 74 HH22 ARG 74 4.725 0.251 -14.398 593 H THR 75 H THR 75 -0.707 -6.383 -16.403 594 HA THR 75 HA THR 75 -0.655 -9.351 -16.113 595 HB THR 75 HB THR 75 -3.200 -8.046 -17.108 596 HG1 THR 75 HG1 THR 75 -3.085 -7.424 -14.959 597 HG21 THR 75 HG21 THR 75 -4.149 -10.273 -16.555 598 HG22 THR 75 HG22 THR 75 -2.580 -10.833 -15.950 599 HG23 THR 75 HG23 THR 75 -2.808 -10.482 -17.679 600 H VAL 76 H VAL 76 -1.729 -6.760 -18.382 601 HA VAL 76 HA VAL 76 -0.848 -8.303 -20.705 602 HB VAL 76 HB VAL 76 -2.889 -6.923 -20.667 603 HG11 VAL 76 HG11 VAL 76 -1.044 -4.494 -20.781 604 HG12 VAL 76 HG12 VAL 76 -2.808 -4.505 -20.949 605 HG13 VAL 76 HG13 VAL 76 -2.077 -4.937 -19.402 606 HG21 VAL 76 HG21 VAL 76 -1.790 -7.540 -22.802 607 HG22 VAL 76 HG22 VAL 76 -2.694 -6.022 -22.892 608 HG23 VAL 76 HG23 VAL 76 -0.927 -5.987 -22.790 609 H GLY 77 H GLY 77 0.560 -5.804 -18.713 610 HA2 GLY 77 HA2 GLY 77 2.572 -4.826 -20.536 611 HA3 GLY 77 HA3 GLY 77 2.544 -4.610 -18.790 Start of MODEL 19 1 HA MET 1 HA MET 1 -5.371 6.748 12.836 2 HB2 MET 1 HB2 MET 1 -6.910 9.073 11.620 3 HB3 MET 1 HB3 MET 1 -7.581 7.927 12.784 4 HG2 MET 1 HG2 MET 1 -5.163 9.702 13.296 5 HG3 MET 1 HG3 MET 1 -6.807 10.013 13.841 6 HE1 MET 1 HE1 MET 1 -5.886 10.372 16.310 7 HE2 MET 1 HE2 MET 1 -4.913 9.170 17.184 8 HE3 MET 1 HE3 MET 1 -4.229 10.003 15.773 9 H LYS 2 H LYS 2 -7.222 7.917 10.040 10 HA LYS 2 HA LYS 2 -7.819 5.100 9.188 11 HB2 LYS 2 HB2 LYS 2 -9.736 6.495 9.833 12 HB3 LYS 2 HB3 LYS 2 -9.315 7.692 8.617 13 HG2 LYS 2 HG2 LYS 2 -9.736 4.817 7.775 14 HG3 LYS 2 HG3 LYS 2 -11.146 5.741 8.234 15 HD2 LYS 2 HD2 LYS 2 -9.269 6.867 6.118 16 HD3 LYS 2 HD3 LYS 2 -10.410 5.592 5.738 17 HE2 LYS 2 HE2 LYS 2 -11.591 7.504 5.171 18 HE3 LYS 2 HE3 LYS 2 -12.263 7.036 6.728 19 HZ1 LYS 2 HZ1 LYS 2 -10.881 8.776 7.759 20 HZ2 LYS 2 HZ2 LYS 2 -11.827 9.419 6.604 21 HZ3 LYS 2 HZ3 LYS 2 -10.245 9.186 6.300 22 H ILE 3 H ILE 3 -7.368 4.403 7.186 23 HA ILE 3 HA ILE 3 -6.111 6.244 5.206 24 HB ILE 3 HB ILE 3 -5.123 3.460 5.933 25 HG12 ILE 3 HG12 ILE 3 -4.022 6.256 6.412 26 HG13 ILE 3 HG13 ILE 3 -4.389 5.007 7.596 27 HG21 ILE 3 HG21 ILE 3 -4.099 5.370 3.782 28 HG22 ILE 3 HG22 ILE 3 -3.377 3.813 4.226 29 HG23 ILE 3 HG23 ILE 3 -4.955 3.834 3.491 30 HD11 ILE 3 HD11 ILE 3 -2.502 3.628 6.570 31 HD12 ILE 3 HD12 ILE 3 -2.044 5.100 5.682 32 HD13 ILE 3 HD13 ILE 3 -2.031 5.098 7.452 33 H LYS 4 H LYS 4 -6.691 5.945 3.113 34 HA LYS 4 HA LYS 4 -8.840 3.934 2.528 35 HB2 LYS 4 HB2 LYS 4 -8.212 6.516 1.045 36 HB3 LYS 4 HB3 LYS 4 -9.552 5.399 0.752 37 HG2 LYS 4 HG2 LYS 4 -10.263 5.837 3.184 38 HG3 LYS 4 HG3 LYS 4 -9.058 7.116 3.229 39 HD2 LYS 4 HD2 LYS 4 -11.224 8.060 2.846 40 HD3 LYS 4 HD3 LYS 4 -10.221 8.325 1.418 41 HE2 LYS 4 HE2 LYS 4 -11.472 6.899 0.084 42 HE3 LYS 4 HE3 LYS 4 -11.926 5.853 1.433 43 HZ1 LYS 4 HZ1 LYS 4 -13.051 8.569 1.029 44 HZ2 LYS 4 HZ2 LYS 4 -13.480 7.491 2.201 45 HZ3 LYS 4 HZ3 LYS 4 -13.815 7.180 0.630 46 H ILE 5 H ILE 5 -7.925 2.110 1.766 47 HA ILE 5 HA ILE 5 -5.566 2.263 -0.024 48 HB ILE 5 HB ILE 5 -5.512 -0.112 -0.027 49 HG12 ILE 5 HG12 ILE 5 -7.948 -0.163 1.802 50 HG13 ILE 5 HG13 ILE 5 -7.980 -0.569 0.083 51 HG21 ILE 5 HG21 ILE 5 -4.472 1.246 1.816 52 HG22 ILE 5 HG22 ILE 5 -5.877 0.875 2.834 53 HG23 ILE 5 HG23 ILE 5 -4.809 -0.424 2.267 54 HD11 ILE 5 HD11 ILE 5 -6.410 -2.065 2.214 55 HD12 ILE 5 HD12 ILE 5 -7.872 -2.606 1.373 56 HD13 ILE 5 HD13 ILE 5 -6.358 -2.404 0.467 57 H VAL 6 H VAL 6 -5.536 1.819 -2.175 58 HA VAL 6 HA VAL 6 -8.166 1.585 -3.594 59 HB VAL 6 HB VAL 6 -5.910 3.382 -4.517 60 HG11 VAL 6 HG11 VAL 6 -7.689 4.289 -5.972 61 HG12 VAL 6 HG12 VAL 6 -7.494 2.559 -6.256 62 HG13 VAL 6 HG13 VAL 6 -8.858 3.144 -5.282 63 HG21 VAL 6 HG21 VAL 6 -8.380 4.102 -2.907 64 HG22 VAL 6 HG22 VAL 6 -6.686 4.380 -2.459 65 HG23 VAL 6 HG23 VAL 6 -7.390 5.273 -3.808 66 HA PRO 7 HA PRO 7 -5.374 -1.672 -5.284 67 HB2 PRO 7 HB2 PRO 7 -7.151 -3.745 -5.279 68 HB3 PRO 7 HB3 PRO 7 -6.223 -3.273 -3.830 69 HG2 PRO 7 HG2 PRO 7 -9.068 -2.512 -4.542 70 HG3 PRO 7 HG3 PRO 7 -8.439 -3.125 -2.981 71 HD2 PRO 7 HD2 PRO 7 -8.823 -0.466 -3.460 72 HD3 PRO 7 HD3 PRO 7 -7.474 -1.050 -2.445 73 H ALA 8 H ALA 8 -5.136 -1.670 -7.491 74 HA ALA 8 HA ALA 8 -7.332 -1.216 -9.346 75 HB1 ALA 8 HB1 ALA 8 -5.034 -0.417 -9.753 76 HB2 ALA 8 HB2 ALA 8 -4.455 -2.098 -9.807 77 HB3 ALA 8 HB3 ALA 8 -5.579 -1.498 -11.045 78 H VAL 9 H VAL 9 -8.128 -3.306 -7.759 79 HA VAL 9 HA VAL 9 -8.057 -5.760 -9.449 80 HB VAL 9 HB VAL 9 -7.414 -5.682 -6.473 81 HG11 VAL 9 HG11 VAL 9 -7.603 -8.066 -8.358 82 HG12 VAL 9 HG12 VAL 9 -6.983 -8.101 -6.685 83 HG13 VAL 9 HG13 VAL 9 -8.668 -7.716 -6.973 84 HG21 VAL 9 HG21 VAL 9 -5.449 -5.012 -7.788 85 HG22 VAL 9 HG22 VAL 9 -5.213 -6.624 -7.131 86 HG23 VAL 9 HG23 VAL 9 -5.650 -6.428 -8.844 87 H GLY 10 H GLY 10 -9.905 -7.047 -9.307 88 HA2 GLY 10 HA2 GLY 10 -12.108 -7.607 -8.879 89 HA3 GLY 10 HA3 GLY 10 -11.916 -6.865 -7.293 90 H GLY 11 H GLY 11 -13.390 -5.313 -6.935 91 HA2 GLY 11 HA2 GLY 11 -14.936 -3.971 -8.972 92 HA3 GLY 11 HA3 GLY 11 -14.903 -3.606 -7.246 93 H GLY 12 H GLY 12 -11.802 -3.217 -7.611 94 HA2 GLY 12 HA2 GLY 12 -10.309 -1.571 -8.161 95 HA3 GLY 12 HA3 GLY 12 -11.460 -0.913 -9.311 96 H SER 13 H SER 13 -13.072 -0.954 -6.404 97 HA SER 13 HA SER 13 -13.094 1.889 -6.178 98 HB2 SER 13 HB2 SER 13 -14.227 -0.205 -4.278 99 HB3 SER 13 HB3 SER 13 -14.672 1.508 -4.329 100 HG SER 13 HG SER 13 -16.155 0.201 -5.494 101 HA PRO 14 HA PRO 14 -10.263 2.569 -2.650 102 HB2 PRO 14 HB2 PRO 14 -11.457 4.712 -1.440 103 HB3 PRO 14 HB3 PRO 14 -10.539 4.860 -2.969 104 HG2 PRO 14 HG2 PRO 14 -13.540 4.566 -2.637 105 HG3 PRO 14 HG3 PRO 14 -12.649 5.774 -3.618 106 HD2 PRO 14 HD2 PRO 14 -13.661 3.518 -4.722 107 HD3 PRO 14 HD3 PRO 14 -12.078 4.158 -5.252 108 H LEU 15 H LEU 15 -10.265 1.963 -0.467 109 HA LEU 15 HA LEU 15 -12.837 1.258 0.863 110 HB2 LEU 15 HB2 LEU 15 -11.949 -0.654 -0.435 111 HB3 LEU 15 HB3 LEU 15 -10.483 -0.651 0.524 112 HG LEU 15 HG LEU 15 -13.183 -0.856 1.906 113 HD11 LEU 15 HD11 LEU 15 -13.109 -3.311 1.657 114 HD12 LEU 15 HD12 LEU 15 -11.695 -3.168 0.585 115 HD13 LEU 15 HD13 LEU 15 -13.272 -2.513 0.089 116 HD21 LEU 15 HD21 LEU 15 -11.915 -2.281 3.482 117 HD22 LEU 15 HD22 LEU 15 -11.144 -0.707 3.319 118 HD23 LEU 15 HD23 LEU 15 -10.452 -2.112 2.485 119 H GLU 16 H GLU 16 -12.934 1.865 2.914 120 HA GLU 16 HA GLU 16 -10.661 3.278 4.113 121 HB2 GLU 16 HB2 GLU 16 -13.493 2.916 5.173 122 HB3 GLU 16 HB3 GLU 16 -12.270 4.070 5.724 123 HG2 GLU 16 HG2 GLU 16 -12.285 4.945 3.285 124 HG3 GLU 16 HG3 GLU 16 -13.781 4.041 3.083 125 H LEU 17 H LEU 17 -9.326 2.547 5.658 126 HA LEU 17 HA LEU 17 -10.168 0.408 7.542 127 HB2 LEU 17 HB2 LEU 17 -7.846 0.363 5.604 128 HB3 LEU 17 HB3 LEU 17 -7.683 -0.451 7.149 129 HG LEU 17 HG LEU 17 -9.988 -1.070 5.268 130 HD11 LEU 17 HD11 LEU 17 -7.889 -1.498 4.092 131 HD12 LEU 17 HD12 LEU 17 -8.686 -3.017 4.529 132 HD13 LEU 17 HD13 LEU 17 -7.286 -2.446 5.471 133 HD21 LEU 17 HD21 LEU 17 -8.707 -2.624 7.561 134 HD22 LEU 17 HD22 LEU 17 -10.046 -3.190 6.540 135 HD23 LEU 17 HD23 LEU 17 -10.285 -1.810 7.617 136 H GLU 18 H GLU 18 -9.233 0.424 9.505 137 HA GLU 18 HA GLU 18 -7.487 2.690 10.312 138 HB2 GLU 18 HB2 GLU 18 -7.786 1.871 12.573 139 HB3 GLU 18 HB3 GLU 18 -9.339 2.189 11.800 140 HG2 GLU 18 HG2 GLU 18 -9.613 -0.262 11.371 141 HG3 GLU 18 HG3 GLU 18 -8.090 -0.568 12.211 142 H VAL 19 H VAL 19 -5.396 2.395 11.061 143 HA VAL 19 HA VAL 19 -4.184 -0.290 11.164 144 HB VAL 19 HB VAL 19 -2.214 0.329 9.879 145 HG11 VAL 19 HG11 VAL 19 -4.035 -0.898 8.740 146 HG12 VAL 19 HG12 VAL 19 -4.680 0.646 8.137 147 HG13 VAL 19 HG13 VAL 19 -3.069 0.098 7.639 148 HG21 VAL 19 HG21 VAL 19 -2.290 2.795 10.055 149 HG22 VAL 19 HG22 VAL 19 -2.128 2.241 8.391 150 HG23 VAL 19 HG23 VAL 19 -3.705 2.823 8.976 151 H ALA 20 H ALA 20 -2.139 -0.331 12.286 152 HA ALA 20 HA ALA 20 -1.912 1.530 14.486 153 HB1 ALA 20 HB1 ALA 20 -0.024 -0.641 13.460 154 HB2 ALA 20 HB2 ALA 20 0.081 0.158 15.041 155 HB3 ALA 20 HB3 ALA 20 -1.316 -0.863 14.663 156 HA PRO 21 HA PRO 21 0.892 4.527 12.578 157 HB2 PRO 21 HB2 PRO 21 2.385 5.372 14.720 158 HB3 PRO 21 HB3 PRO 21 0.663 5.803 14.493 159 HG2 PRO 21 HG2 PRO 21 1.804 3.555 16.189 160 HG3 PRO 21 HG3 PRO 21 0.605 4.803 16.666 161 HD2 PRO 21 HD2 PRO 21 -0.174 2.335 15.873 162 HD3 PRO 21 HD3 PRO 21 -1.105 3.781 15.386 163 H ASN 22 H ASN 22 2.057 1.718 14.280 164 HA ASN 22 HA ASN 22 4.794 1.833 13.254 165 HB2 ASN 22 HB2 ASN 22 3.874 0.930 15.552 166 HB3 ASN 22 HB3 ASN 22 3.501 -0.532 14.647 167 HD21 ASN 22 HD21 ASN 22 5.419 -1.590 13.550 168 HD22 ASN 22 HD22 ASN 22 6.973 -1.452 14.374 169 H ALA 23 H ALA 23 2.397 1.626 11.308 170 HA ALA 23 HA ALA 23 2.460 -0.971 10.092 171 HB1 ALA 23 HB1 ALA 23 1.351 0.201 8.201 172 HB2 ALA 23 HB2 ALA 23 0.600 0.564 9.763 173 HB3 ALA 23 HB3 ALA 23 1.668 1.759 8.991 174 H THR 24 H THR 24 4.321 -1.852 9.384 175 HA THR 24 HA THR 24 6.519 -0.345 8.264 176 HB THR 24 HB THR 24 6.058 -3.347 8.230 177 HG1 THR 24 HG1 THR 24 7.222 -3.348 10.139 178 HG21 THR 24 HG21 THR 24 8.551 -3.447 8.254 179 HG22 THR 24 HG22 THR 24 8.606 -1.680 8.067 180 HG23 THR 24 HG23 THR 24 7.930 -2.704 6.781 181 H VAL 25 H VAL 25 6.907 0.200 6.169 182 HA VAL 25 HA VAL 25 5.042 -0.120 4.067 183 HB VAL 25 HB VAL 25 8.031 0.441 3.969 184 HG11 VAL 25 HG11 VAL 25 7.644 1.415 1.742 185 HG12 VAL 25 HG12 VAL 25 7.330 -0.313 1.727 186 HG13 VAL 25 HG13 VAL 25 5.964 0.828 1.762 187 HG21 VAL 25 HG21 VAL 25 5.617 2.301 3.813 188 HG22 VAL 25 HG22 VAL 25 6.701 2.135 5.210 189 HG23 VAL 25 HG23 VAL 25 7.322 2.787 3.692 190 H GLY 26 H GLY 26 7.999 -2.041 4.689 191 HA2 GLY 26 HA2 GLY 26 7.799 -3.825 2.490 192 HA3 GLY 26 HA3 GLY 26 8.617 -4.154 4.023 193 H ALA 27 H ALA 27 6.209 -3.991 5.712 194 HA ALA 27 HA ALA 27 5.176 -6.675 5.363 195 HB1 ALA 27 HB1 ALA 27 5.495 -5.623 7.581 196 HB2 ALA 27 HB2 ALA 27 4.222 -4.435 7.203 197 HB3 ALA 27 HB3 ALA 27 3.825 -6.156 7.331 198 H VAL 28 H VAL 28 3.781 -3.398 4.793 199 HA VAL 28 HA VAL 28 1.220 -4.290 3.850 200 HB VAL 28 HB VAL 28 2.795 -1.773 3.175 201 HG11 VAL 28 HG11 VAL 28 -0.147 -2.402 2.661 202 HG12 VAL 28 HG12 VAL 28 0.620 -0.807 2.482 203 HG13 VAL 28 HG13 VAL 28 1.100 -2.131 1.423 204 HG21 VAL 28 HG21 VAL 28 2.177 -1.982 5.576 205 HG22 VAL 28 HG22 VAL 28 1.272 -0.691 4.785 206 HG23 VAL 28 HG23 VAL 28 0.485 -2.250 5.117 207 H ARG 29 H ARG 29 4.230 -3.552 2.019 208 HA ARG 29 HA ARG 29 3.187 -4.321 -0.539 209 HB2 ARG 29 HB2 ARG 29 5.224 -2.919 0.000 210 HB3 ARG 29 HB3 ARG 29 6.108 -4.395 0.371 211 HG2 ARG 29 HG2 ARG 29 4.681 -3.999 -2.293 212 HG3 ARG 29 HG3 ARG 29 6.254 -3.271 -2.017 213 HD2 ARG 29 HD2 ARG 29 5.751 -6.255 -1.731 214 HD3 ARG 29 HD3 ARG 29 6.248 -5.471 -3.228 215 HE ARG 29 HE ARG 29 8.144 -4.612 -1.426 216 HH11 ARG 29 HH11 ARG 29 7.086 -7.823 -2.348 217 HH12 ARG 29 HH12 ARG 29 8.655 -8.519 -2.042 218 HH21 ARG 29 HH21 ARG 29 10.130 -5.560 -1.114 219 HH22 ARG 29 HH22 ARG 29 10.332 -7.261 -1.396 220 H THR 30 H THR 30 4.927 -6.252 1.916 221 HA THR 30 HA THR 30 4.989 -8.694 0.435 222 HB THR 30 HB THR 30 4.926 -8.272 3.443 223 HG1 THR 30 HG1 THR 30 6.685 -7.390 2.574 224 HG21 THR 30 HG21 THR 30 5.975 -10.528 3.581 225 HG22 THR 30 HG22 THR 30 5.619 -10.786 1.858 226 HG23 THR 30 HG23 THR 30 4.300 -10.588 3.033 227 H LYS 31 H LYS 31 2.435 -7.440 2.676 228 HA LYS 31 HA LYS 31 0.698 -9.683 2.497 229 HB2 LYS 31 HB2 LYS 31 0.496 -7.635 4.033 230 HB3 LYS 31 HB3 LYS 31 -0.189 -6.774 2.654 231 HG2 LYS 31 HG2 LYS 31 -1.877 -8.827 2.553 232 HG3 LYS 31 HG3 LYS 31 -1.279 -9.166 4.174 233 HD2 LYS 31 HD2 LYS 31 -3.275 -7.914 4.431 234 HD3 LYS 31 HD3 LYS 31 -1.966 -6.778 4.802 235 HE2 LYS 31 HE2 LYS 31 -2.138 -5.823 2.519 236 HE3 LYS 31 HE3 LYS 31 -3.338 -7.045 2.079 237 HZ1 LYS 31 HZ1 LYS 31 -4.835 -6.093 3.744 238 HZ2 LYS 31 HZ2 LYS 31 -4.400 -4.947 2.669 239 HZ3 LYS 31 HZ3 LYS 31 -3.732 -4.961 4.160 240 H VAL 32 H VAL 32 0.864 -6.810 0.367 241 HA VAL 32 HA VAL 32 -1.261 -7.593 -1.400 242 HB VAL 32 HB VAL 32 1.130 -5.763 -1.827 243 HG11 VAL 32 HG11 VAL 32 -1.368 -6.116 -3.543 244 HG12 VAL 32 HG12 VAL 32 -0.188 -4.794 -3.702 245 HG13 VAL 32 HG13 VAL 32 0.310 -6.456 -4.028 246 HG21 VAL 32 HG21 VAL 32 -1.809 -5.176 -1.232 247 HG22 VAL 32 HG22 VAL 32 -0.492 -5.046 -0.058 248 HG23 VAL 32 HG23 VAL 32 -0.514 -3.975 -1.455 249 H CYS 33 H CYS 33 2.297 -8.123 -1.694 250 HA CYS 33 HA CYS 33 2.156 -9.608 -4.142 251 HB2 CYS 33 HB2 CYS 33 4.201 -9.677 -1.878 252 HB3 CYS 33 HB3 CYS 33 4.413 -10.422 -3.474 253 HG CYS 33 HG CYS 33 3.918 -7.249 -2.681 254 H ALA 34 H ALA 34 1.982 -10.741 -0.732 255 HA ALA 34 HA ALA 34 1.845 -13.535 -1.366 256 HB1 ALA 34 HB1 ALA 34 2.531 -12.655 0.830 257 HB2 ALA 34 HB2 ALA 34 0.904 -11.985 1.090 258 HB3 ALA 34 HB3 ALA 34 1.140 -13.743 0.995 259 H MET 35 H MET 35 -0.738 -11.079 -0.840 260 HA MET 35 HA MET 35 -2.936 -12.895 -1.024 261 HB2 MET 35 HB2 MET 35 -3.037 -10.633 -0.036 262 HB3 MET 35 HB3 MET 35 -2.820 -9.915 -1.639 263 HG2 MET 35 HG2 MET 35 -4.955 -10.932 -2.382 264 HG3 MET 35 HG3 MET 35 -5.112 -11.741 -0.822 265 HE1 MET 35 HE1 MET 35 -4.146 -7.971 -1.847 266 HE2 MET 35 HE2 MET 35 -5.516 -8.469 -2.869 267 HE3 MET 35 HE3 MET 35 -5.739 -7.220 -1.626 268 H LYS 36 H LYS 36 -1.294 -10.950 -3.553 269 HA LYS 36 HA LYS 36 -2.906 -12.179 -5.707 270 HB2 LYS 36 HB2 LYS 36 -0.518 -10.279 -5.779 271 HB3 LYS 36 HB3 LYS 36 -1.418 -10.806 -7.191 272 HG2 LYS 36 HG2 LYS 36 -2.421 -9.065 -4.911 273 HG3 LYS 36 HG3 LYS 36 -2.193 -8.616 -6.594 274 HD2 LYS 36 HD2 LYS 36 -4.326 -10.470 -5.456 275 HD3 LYS 36 HD3 LYS 36 -4.562 -8.857 -6.117 276 HE2 LYS 36 HE2 LYS 36 -3.966 -9.598 -8.363 277 HE3 LYS 36 HE3 LYS 36 -3.490 -11.190 -7.766 278 HZ1 LYS 36 HZ1 LYS 36 -5.709 -11.255 -8.722 279 HZ2 LYS 36 HZ2 LYS 36 -6.262 -10.131 -7.679 280 HZ3 LYS 36 HZ3 LYS 36 -5.799 -11.599 -7.133 281 H LYS 37 H LYS 37 -0.213 -13.211 -4.002 282 HA LYS 37 HA LYS 37 1.288 -14.868 -4.200 283 HB2 LYS 37 HB2 LYS 37 -1.075 -15.976 -4.789 284 HB3 LYS 37 HB3 LYS 37 -0.334 -16.198 -6.358 285 HG2 LYS 37 HG2 LYS 37 0.189 -18.192 -5.409 286 HG3 LYS 37 HG3 LYS 37 1.640 -17.319 -4.925 287 HD2 LYS 37 HD2 LYS 37 -0.851 -17.670 -3.182 288 HD3 LYS 37 HD3 LYS 37 0.540 -18.758 -3.152 289 HE2 LYS 37 HE2 LYS 37 2.019 -16.970 -2.407 290 HE3 LYS 37 HE3 LYS 37 0.711 -15.783 -2.545 291 HZ1 LYS 37 HZ1 LYS 37 1.015 -16.574 -0.250 292 HZ2 LYS 37 HZ2 LYS 37 0.640 -18.099 -0.693 293 HZ3 LYS 37 HZ3 LYS 37 -0.481 -16.910 -0.801 294 H LEU 38 H LEU 38 1.741 -12.571 -5.875 295 HA LEU 38 HA LEU 38 3.572 -13.701 -7.927 296 HB2 LEU 38 HB2 LEU 38 1.263 -11.817 -8.398 297 HB3 LEU 38 HB3 LEU 38 2.772 -11.444 -9.190 298 HG LEU 38 HG LEU 38 2.755 -13.968 -9.970 299 HD11 LEU 38 HD11 LEU 38 0.484 -14.786 -10.476 300 HD12 LEU 38 HD12 LEU 38 -0.225 -13.429 -9.572 301 HD13 LEU 38 HD13 LEU 38 0.716 -14.676 -8.733 302 HD21 LEU 38 HD21 LEU 38 2.657 -12.035 -11.459 303 HD22 LEU 38 HD22 LEU 38 0.912 -11.855 -11.144 304 HD23 LEU 38 HD23 LEU 38 1.532 -13.287 -11.998 305 HA PRO 39 HA PRO 39 6.582 -11.118 -6.245 306 HB2 PRO 39 HB2 PRO 39 8.274 -10.550 -8.346 307 HB3 PRO 39 HB3 PRO 39 8.047 -12.192 -7.672 308 HG2 PRO 39 HG2 PRO 39 6.670 -10.956 -10.079 309 HG3 PRO 39 HG3 PRO 39 7.512 -12.538 -9.978 310 HD2 PRO 39 HD2 PRO 39 4.830 -12.368 -9.709 311 HD3 PRO 39 HD3 PRO 39 5.777 -13.487 -8.686 312 HA PRO 40 HA PRO 40 5.842 -6.763 -6.441 313 HB2 PRO 40 HB2 PRO 40 8.296 -5.605 -5.976 314 HB3 PRO 40 HB3 PRO 40 7.361 -6.498 -4.744 315 HG2 PRO 40 HG2 PRO 40 9.576 -7.585 -6.511 316 HG3 PRO 40 HG3 PRO 40 9.445 -7.683 -4.723 317 HD2 PRO 40 HD2 PRO 40 8.633 -9.731 -6.237 318 HD3 PRO 40 HD3 PRO 40 7.618 -9.219 -4.862 319 H ASP 41 H ASP 41 8.069 -8.076 -8.799 320 HA ASP 41 HA ASP 41 8.318 -5.736 -10.489 321 HB2 ASP 41 HB2 ASP 41 8.462 -8.707 -11.131 322 HB3 ASP 41 HB3 ASP 41 8.893 -7.414 -12.247 323 H THR 42 H THR 42 5.693 -8.045 -9.970 324 HA THR 42 HA THR 42 4.247 -7.094 -12.395 325 HB THR 42 HB THR 42 3.383 -9.176 -10.356 326 HG1 THR 42 HG1 THR 42 5.269 -9.720 -11.429 327 HG21 THR 42 HG21 THR 42 1.845 -9.883 -12.194 328 HG22 THR 42 HG22 THR 42 2.356 -8.488 -13.159 329 HG23 THR 42 HG23 THR 42 1.490 -8.258 -11.625 330 H THR 43 H THR 43 4.088 -6.839 -8.845 331 HA THR 43 HA THR 43 1.791 -4.943 -9.105 332 HB THR 43 HB THR 43 2.118 -7.030 -6.933 333 HG1 THR 43 HG1 THR 43 0.406 -8.027 -7.961 334 HG21 THR 43 HG21 THR 43 -0.175 -5.129 -7.614 335 HG22 THR 43 HG22 THR 43 0.845 -5.050 -6.162 336 HG23 THR 43 HG23 THR 43 -0.243 -6.425 -6.408 337 H ARG 44 H ARG 44 1.974 -3.043 -8.139 338 HA ARG 44 HA ARG 44 4.244 -2.519 -6.245 339 HB2 ARG 44 HB2 ARG 44 3.527 -0.961 -8.765 340 HB3 ARG 44 HB3 ARG 44 4.739 -0.473 -7.579 341 HG2 ARG 44 HG2 ARG 44 6.040 -2.541 -8.044 342 HG3 ARG 44 HG3 ARG 44 4.844 -3.014 -9.267 343 HD2 ARG 44 HD2 ARG 44 5.298 -0.933 -10.524 344 HD3 ARG 44 HD3 ARG 44 6.526 -0.473 -9.347 345 HE ARG 44 HE ARG 44 6.686 -2.580 -11.419 346 HH11 ARG 44 HH11 ARG 44 8.299 -1.288 -8.584 347 HH12 ARG 44 HH12 ARG 44 9.817 -2.031 -9.005 348 HH21 ARG 44 HH21 ARG 44 8.653 -3.467 -11.901 349 HH22 ARG 44 HH22 ARG 44 9.998 -3.251 -10.821 350 H LEU 45 H LEU 45 4.202 -0.453 -5.221 351 HA LEU 45 HA LEU 45 1.489 0.505 -4.394 352 HB2 LEU 45 HB2 LEU 45 2.135 -1.048 -2.730 353 HB3 LEU 45 HB3 LEU 45 3.825 -0.579 -2.816 354 HG LEU 45 HG LEU 45 3.304 1.590 -1.708 355 HD11 LEU 45 HD11 LEU 45 0.834 1.695 -2.266 356 HD12 LEU 45 HD12 LEU 45 1.216 1.930 -0.557 357 HD13 LEU 45 HD13 LEU 45 0.582 0.369 -1.110 358 HD21 LEU 45 HD21 LEU 45 4.137 -0.322 -0.436 359 HD22 LEU 45 HD22 LEU 45 2.482 -0.929 -0.217 360 HD23 LEU 45 HD23 LEU 45 2.980 0.608 0.528 361 H THR 46 H THR 46 1.275 2.679 -4.305 362 HA THR 46 HA THR 46 3.663 4.405 -3.872 363 HB THR 46 HB THR 46 2.924 6.022 -5.531 364 HG1 THR 46 HG1 THR 46 1.354 5.468 -7.027 365 HG21 THR 46 HG21 THR 46 3.249 3.306 -6.867 366 HG22 THR 46 HG22 THR 46 4.581 4.292 -6.220 367 HG23 THR 46 HG23 THR 46 3.598 4.903 -7.561 368 H TYR 47 H TYR 47 3.270 6.495 -3.121 369 HA TYR 47 HA TYR 47 0.603 7.240 -2.105 370 HB2 TYR 47 HB2 TYR 47 1.477 5.945 -0.253 371 HB3 TYR 47 HB3 TYR 47 3.041 6.726 -0.379 372 HD1 TYR 47 HD1 TYR 47 -0.389 8.322 -0.288 373 HD2 TYR 47 HD2 TYR 47 3.412 7.797 1.674 374 HE1 TYR 47 HE1 TYR 47 -1.007 10.051 1.381 375 HE2 TYR 47 HE2 TYR 47 2.792 9.525 3.339 376 HH TYR 47 HH TYR 47 1.125 10.954 4.099 377 H LYS 48 H LYS 48 0.300 9.396 -2.282 378 HA LYS 48 HA LYS 48 0.644 11.580 -2.859 379 HB2 LYS 48 HB2 LYS 48 1.270 11.243 -0.437 380 HB3 LYS 48 HB3 LYS 48 2.962 11.358 -0.904 381 HG2 LYS 48 HG2 LYS 48 2.673 13.652 -1.631 382 HG3 LYS 48 HG3 LYS 48 0.916 13.541 -1.533 383 HD2 LYS 48 HD2 LYS 48 2.789 13.254 0.858 384 HD3 LYS 48 HD3 LYS 48 2.087 14.790 0.366 385 HE2 LYS 48 HE2 LYS 48 0.448 12.334 1.150 386 HE3 LYS 48 HE3 LYS 48 0.901 13.619 2.262 387 HZ1 LYS 48 HZ1 LYS 48 -0.324 15.194 0.871 388 HZ2 LYS 48 HZ2 LYS 48 -1.310 14.000 1.376 389 HZ3 LYS 48 HZ3 LYS 48 -0.770 14.010 -0.163 390 H GLY 49 H GLY 49 1.620 10.032 -4.841 391 HA2 GLY 49 HA2 GLY 49 2.700 10.316 -6.856 392 HA3 GLY 49 HA3 GLY 49 3.366 11.839 -6.270 393 H ARG 50 H ARG 50 4.187 9.248 -4.182 394 HA ARG 50 HA ARG 50 6.885 8.848 -5.431 395 HB2 ARG 50 HB2 ARG 50 6.144 9.536 -2.558 396 HB3 ARG 50 HB3 ARG 50 7.720 8.887 -3.015 397 HG2 ARG 50 HG2 ARG 50 8.240 10.799 -4.384 398 HG3 ARG 50 HG3 ARG 50 6.584 11.403 -4.294 399 HD2 ARG 50 HD2 ARG 50 7.981 12.732 -2.873 400 HD3 ARG 50 HD3 ARG 50 6.803 11.836 -1.902 401 HE ARG 50 HE ARG 50 9.135 10.261 -1.938 402 HH11 ARG 50 HH11 ARG 50 8.337 13.469 -0.771 403 HH12 ARG 50 HH12 ARG 50 9.526 13.403 0.501 404 HH21 ARG 50 HH21 ARG 50 10.618 10.237 -0.265 405 HH22 ARG 50 HH22 ARG 50 10.770 11.623 0.773 406 H ALA 51 H ALA 51 7.956 6.949 -4.984 407 HA ALA 51 HA ALA 51 6.352 4.603 -4.123 408 HB1 ALA 51 HB1 ALA 51 8.320 3.319 -4.858 409 HB2 ALA 51 HB2 ALA 51 7.736 4.387 -6.148 410 HB3 ALA 51 HB3 ALA 51 9.189 4.825 -5.220 411 H LEU 52 H LEU 52 6.464 3.830 -2.092 412 HA LEU 52 HA LEU 52 8.370 4.982 -0.129 413 HB2 LEU 52 HB2 LEU 52 6.097 2.996 0.242 414 HB3 LEU 52 HB3 LEU 52 7.056 3.739 1.523 415 HG LEU 52 HG LEU 52 5.151 5.216 -0.342 416 HD11 LEU 52 HD11 LEU 52 3.781 5.458 1.687 417 HD12 LEU 52 HD12 LEU 52 4.974 4.540 2.627 418 HD13 LEU 52 HD13 LEU 52 4.053 3.750 1.327 419 HD21 LEU 52 HD21 LEU 52 6.995 6.701 0.337 420 HD22 LEU 52 HD22 LEU 52 6.790 6.212 2.036 421 HD23 LEU 52 HD23 LEU 52 5.525 7.136 1.201 422 H LYS 53 H LYS 53 10.016 3.891 0.804 423 HA LYS 53 HA LYS 53 10.212 1.022 0.919 424 HB2 LYS 53 HB2 LYS 53 11.257 2.045 -1.466 425 HB3 LYS 53 HB3 LYS 53 12.649 2.118 -0.422 426 HG2 LYS 53 HG2 LYS 53 12.942 0.052 -1.316 427 HG3 LYS 53 HG3 LYS 53 12.043 -0.430 0.118 428 HD2 LYS 53 HD2 LYS 53 10.752 0.111 -2.597 429 HD3 LYS 53 HD3 LYS 53 11.393 -1.465 -2.163 430 HE2 LYS 53 HE2 LYS 53 9.711 -1.978 -0.709 431 HE3 LYS 53 HE3 LYS 53 9.476 -0.307 -0.196 432 HZ1 LYS 53 HZ1 LYS 53 8.332 0.202 -2.169 433 HZ2 LYS 53 HZ2 LYS 53 7.619 -1.122 -1.558 434 HZ3 LYS 53 HZ3 LYS 53 8.614 -1.272 -2.860 435 H ASP 54 H ASP 54 11.881 0.291 2.286 436 HA ASP 54 HA ASP 54 13.100 0.307 4.186 437 HB2 ASP 54 HB2 ASP 54 14.590 2.467 2.680 438 HB3 ASP 54 HB3 ASP 54 15.250 1.446 3.956 439 H THR 55 H THR 55 10.838 2.291 4.352 440 HA THR 55 HA THR 55 11.738 4.506 6.017 441 HB THR 55 HB THR 55 9.015 3.390 5.293 442 HG1 THR 55 HG1 THR 55 10.434 4.462 3.744 443 HG21 THR 55 HG21 THR 55 8.606 4.535 7.366 444 HG22 THR 55 HG22 THR 55 8.105 5.609 6.056 445 HG23 THR 55 HG23 THR 55 9.649 5.895 6.894 446 H GLU 56 H GLU 56 10.628 1.272 6.688 447 HA GLU 56 HA GLU 56 10.280 0.010 8.483 448 HB2 GLU 56 HB2 GLU 56 12.615 0.701 8.943 449 HB3 GLU 56 HB3 GLU 56 11.996 1.922 10.072 450 HG2 GLU 56 HG2 GLU 56 10.925 0.161 11.424 451 HG3 GLU 56 HG3 GLU 56 11.455 -1.070 10.273 452 H THR 57 H THR 57 9.850 3.389 9.706 453 HA THR 57 HA THR 57 7.074 2.672 10.445 454 HB THR 57 HB THR 57 7.111 3.738 12.599 455 HG1 THR 57 HG1 THR 57 9.919 3.928 12.306 456 HG21 THR 57 HG21 THR 57 7.594 1.308 12.579 457 HG22 THR 57 HG22 THR 57 8.339 2.149 13.949 458 HG23 THR 57 HG23 THR 57 9.335 1.664 12.563 459 H LEU 58 H LEU 58 5.626 4.267 10.029 460 HA LEU 58 HA LEU 58 6.472 6.666 8.635 461 HB2 LEU 58 HB2 LEU 58 3.837 5.533 9.611 462 HB3 LEU 58 HB3 LEU 58 3.937 7.219 9.124 463 HG LEU 58 HG LEU 58 4.726 6.635 6.897 464 HD11 LEU 58 HD11 LEU 58 4.367 3.729 7.744 465 HD12 LEU 58 HD12 LEU 58 5.890 4.511 7.255 466 HD13 LEU 58 HD13 LEU 58 4.600 4.294 6.075 467 HD21 LEU 58 HD21 LEU 58 2.624 5.669 6.075 468 HD22 LEU 58 HD22 LEU 58 2.308 6.841 7.363 469 HD23 LEU 58 HD23 LEU 58 2.222 5.098 7.710 470 H GLU 59 H GLU 59 5.899 5.968 12.037 471 HA GLU 59 HA GLU 59 5.524 8.629 12.980 472 HB2 GLU 59 HB2 GLU 59 5.114 6.543 14.262 473 HB3 GLU 59 HB3 GLU 59 6.864 6.290 14.391 474 HG2 GLU 59 HG2 GLU 59 7.108 8.339 15.702 475 HG3 GLU 59 HG3 GLU 59 5.430 8.792 15.381 476 H SER 60 H SER 60 8.537 6.955 12.079 477 HA SER 60 HA SER 60 10.345 8.919 13.137 478 HB2 SER 60 HB2 SER 60 12.015 7.898 11.801 479 HB3 SER 60 HB3 SER 60 10.967 6.604 12.389 480 HG SER 60 HG SER 60 10.018 6.476 10.345 481 H LEU 61 H LEU 61 8.290 9.000 10.336 482 HA LEU 61 HA LEU 61 9.575 11.489 9.294 483 HB2 LEU 61 HB2 LEU 61 7.585 9.643 7.932 484 HB3 LEU 61 HB3 LEU 61 8.413 11.017 7.210 485 HG LEU 61 HG LEU 61 9.700 8.398 8.099 486 HD11 LEU 61 HD11 LEU 61 9.287 9.628 5.343 487 HD12 LEU 61 HD12 LEU 61 8.368 8.269 6.028 488 HD13 LEU 61 HD13 LEU 61 10.097 8.086 5.701 489 HD21 LEU 61 HD21 LEU 61 11.318 10.226 8.422 490 HD22 LEU 61 HD22 LEU 61 10.977 10.844 6.790 491 HD23 LEU 61 HD23 LEU 61 11.758 9.262 7.014 492 H GLY 62 H GLY 62 7.195 10.669 11.390 493 HA2 GLY 62 HA2 GLY 62 5.480 11.924 12.349 494 HA3 GLY 62 HA3 GLY 62 5.544 13.088 11.033 495 H VAL 63 H VAL 63 3.650 10.776 12.406 496 HA VAL 63 HA VAL 63 2.346 9.635 10.038 497 HB VAL 63 HB VAL 63 1.672 9.623 12.996 498 HG11 VAL 63 HG11 VAL 63 -0.072 7.922 12.456 499 HG12 VAL 63 HG12 VAL 63 -0.489 9.531 11.875 500 HG13 VAL 63 HG13 VAL 63 0.113 8.306 10.730 501 HG21 VAL 63 HG21 VAL 63 2.185 7.237 12.822 502 HG22 VAL 63 HG22 VAL 63 2.437 7.382 11.070 503 HG23 VAL 63 HG23 VAL 63 3.547 8.172 12.203 504 H ALA 64 H ALA 64 0.687 10.417 8.926 505 HA ALA 64 HA ALA 64 -0.737 12.893 9.808 506 HB1 ALA 64 HB1 ALA 64 -1.161 13.237 7.404 507 HB2 ALA 64 HB2 ALA 64 0.571 13.131 7.743 508 HB3 ALA 64 HB3 ALA 64 -0.274 11.744 7.028 509 H ASP 65 H ASP 65 -3.025 12.779 8.370 510 HA ASP 65 HA ASP 65 -4.324 10.181 8.887 511 HB2 ASP 65 HB2 ASP 65 -4.518 11.650 10.965 512 HB3 ASP 65 HB3 ASP 65 -5.499 12.756 10.000 513 H GLY 66 H GLY 66 -6.266 9.793 7.778 514 HA2 GLY 66 HA2 GLY 66 -7.723 9.937 5.994 515 HA3 GLY 66 HA3 GLY 66 -7.355 11.656 5.811 516 H ASP 67 H ASP 67 -4.783 9.285 5.794 517 HA ASP 67 HA ASP 67 -3.791 10.078 3.202 518 HB2 ASP 67 HB2 ASP 67 -2.985 7.671 4.868 519 HB3 ASP 67 HB3 ASP 67 -2.063 8.402 3.564 520 H LYS 68 H LYS 68 -3.253 8.501 1.435 521 HA LYS 68 HA LYS 68 -4.979 6.133 1.273 522 HB2 LYS 68 HB2 LYS 68 -5.669 6.602 -1.053 523 HB3 LYS 68 HB3 LYS 68 -6.413 7.655 0.144 524 HG2 LYS 68 HG2 LYS 68 -5.225 9.548 -0.546 525 HG3 LYS 68 HG3 LYS 68 -3.963 8.610 -1.365 526 HD2 LYS 68 HD2 LYS 68 -5.445 7.921 -3.117 527 HD3 LYS 68 HD3 LYS 68 -6.864 8.592 -2.308 528 HE2 LYS 68 HE2 LYS 68 -4.501 10.328 -3.134 529 HE3 LYS 68 HE3 LYS 68 -5.777 9.902 -4.278 530 HZ1 LYS 68 HZ1 LYS 68 -6.248 11.330 -1.716 531 HZ2 LYS 68 HZ2 LYS 68 -7.401 10.930 -2.805 532 HZ3 LYS 68 HZ3 LYS 68 -6.252 12.016 -3.196 533 H PHE 69 H PHE 69 -4.262 4.456 0.101 534 HA PHE 69 HA PHE 69 -1.487 4.659 -1.051 535 HB2 PHE 69 HB2 PHE 69 -2.766 2.328 0.412 536 HB3 PHE 69 HB3 PHE 69 -1.193 2.312 -0.358 537 HD1 PHE 69 HD1 PHE 69 -0.485 5.279 0.800 538 HD2 PHE 69 HD2 PHE 69 -1.802 1.527 2.480 539 HE1 PHE 69 HE1 PHE 69 0.598 5.859 2.938 540 HE2 PHE 69 HE2 PHE 69 -0.703 2.114 4.625 541 HZ PHE 69 HZ PHE 69 0.501 4.280 4.859 542 H VAL 70 H VAL 70 -1.383 4.251 -3.161 543 HA VAL 70 HA VAL 70 -3.687 2.882 -4.491 544 HB VAL 70 HB VAL 70 -1.476 4.567 -5.707 545 HG11 VAL 70 HG11 VAL 70 -2.274 2.889 -7.321 546 HG12 VAL 70 HG12 VAL 70 -3.964 3.307 -6.952 547 HG13 VAL 70 HG13 VAL 70 -2.898 4.481 -7.753 548 HG21 VAL 70 HG21 VAL 70 -3.060 5.943 -4.408 549 HG22 VAL 70 HG22 VAL 70 -3.294 6.196 -6.139 550 HG23 VAL 70 HG23 VAL 70 -4.431 5.173 -5.236 551 H LEU 71 H LEU 71 -3.512 0.905 -5.288 552 HA LEU 71 HA LEU 71 -0.800 -0.342 -5.509 553 HB2 LEU 71 HB2 LEU 71 -3.317 -1.957 -5.256 554 HB3 LEU 71 HB3 LEU 71 -1.662 -2.444 -4.994 555 HG LEU 71 HG LEU 71 -3.280 -0.613 -3.152 556 HD11 LEU 71 HD11 LEU 71 -4.096 -2.913 -3.147 557 HD12 LEU 71 HD12 LEU 71 -3.250 -2.563 -1.633 558 HD13 LEU 71 HD13 LEU 71 -2.454 -3.527 -2.903 559 HD21 LEU 71 HD21 LEU 71 -1.435 -0.967 -1.550 560 HD22 LEU 71 HD22 LEU 71 -0.862 -0.138 -3.004 561 HD23 LEU 71 HD23 LEU 71 -0.519 -1.866 -2.786 562 H ILE 72 H ILE 72 -0.197 -1.059 -7.470 563 HA ILE 72 HA ILE 72 -2.219 -1.191 -9.667 564 HB ILE 72 HB ILE 72 -1.013 0.912 -9.832 565 HG12 ILE 72 HG12 ILE 72 -0.142 -0.994 -12.054 566 HG13 ILE 72 HG13 ILE 72 -1.792 -0.400 -11.844 567 HG21 ILE 72 HG21 ILE 72 1.542 -0.722 -10.210 568 HG22 ILE 72 HG22 ILE 72 1.385 1.043 -10.288 569 HG23 ILE 72 HG23 ILE 72 1.141 0.219 -8.756 570 HD11 ILE 72 HD11 ILE 72 0.658 1.304 -12.441 571 HD12 ILE 72 HD12 ILE 72 -0.692 0.933 -13.524 572 HD13 ILE 72 HD13 ILE 72 -0.967 1.945 -12.092 573 H THR 73 H THR 73 -1.987 -2.804 -11.174 574 HA THR 73 HA THR 73 0.157 -4.825 -10.762 575 HB THR 73 HB THR 73 -1.687 -5.638 -9.471 576 HG1 THR 73 HG1 THR 73 -1.832 -7.597 -10.442 577 HG21 THR 73 HG21 THR 73 -3.615 -4.519 -10.553 578 HG22 THR 73 HG22 THR 73 -3.847 -6.267 -10.464 579 HG23 THR 73 HG23 THR 73 -3.390 -5.521 -12.004 580 H ARG 74 H ARG 74 0.960 -5.740 -12.530 581 HA ARG 74 HA ARG 74 0.246 -4.647 -15.153 582 HB2 ARG 74 HB2 ARG 74 2.636 -5.445 -14.044 583 HB3 ARG 74 HB3 ARG 74 2.211 -6.906 -14.923 584 HG2 ARG 74 HG2 ARG 74 3.494 -5.663 -16.451 585 HG3 ARG 74 HG3 ARG 74 1.833 -5.359 -16.973 586 HD2 ARG 74 HD2 ARG 74 1.903 -3.225 -15.555 587 HD3 ARG 74 HD3 ARG 74 3.614 -3.520 -15.294 588 HE ARG 74 HE ARG 74 2.310 -2.477 -17.682 589 HH11 ARG 74 HH11 ARG 74 5.246 -4.124 -16.684 590 HH12 ARG 74 HH12 ARG 74 6.129 -3.566 -18.079 591 HH21 ARG 74 HH21 ARG 74 3.498 -1.796 -19.408 592 HH22 ARG 74 HH22 ARG 74 5.162 -2.276 -19.572 593 H THR 75 H THR 75 -0.607 -5.724 -16.923 594 HA THR 75 HA THR 75 -2.307 -8.053 -16.409 595 HB THR 75 HB THR 75 -1.657 -6.594 -18.996 596 HG1 THR 75 HG1 THR 75 -2.837 -5.388 -17.492 597 HG21 THR 75 HG21 THR 75 -2.404 -8.853 -19.558 598 HG22 THR 75 HG22 THR 75 -3.722 -7.718 -19.850 599 HG23 THR 75 HG23 THR 75 -3.748 -8.740 -18.395 600 H VAL 76 H VAL 76 -1.470 -10.030 -16.199 601 HA VAL 76 HA VAL 76 1.123 -10.783 -17.219 602 HB VAL 76 HB VAL 76 0.160 -11.548 -15.078 603 HG11 VAL 76 HG11 VAL 76 -1.564 -13.443 -16.736 604 HG12 VAL 76 HG12 VAL 76 -1.399 -13.414 -14.973 605 HG13 VAL 76 HG13 VAL 76 -2.169 -12.057 -15.800 606 HG21 VAL 76 HG21 VAL 76 1.049 -13.793 -15.136 607 HG22 VAL 76 HG22 VAL 76 0.905 -13.867 -16.902 608 HG23 VAL 76 HG23 VAL 76 2.054 -12.741 -16.144 609 H GLY 77 H GLY 77 -2.114 -11.184 -18.487 610 HA2 GLY 77 HA2 GLY 77 -1.277 -11.866 -21.137 611 HA3 GLY 77 HA3 GLY 77 -1.809 -13.329 -20.306 Start of MODEL 20 1 HA MET 1 HA MET 1 -5.805 6.131 13.029 2 HB2 MET 1 HB2 MET 1 -7.832 8.276 12.263 3 HB3 MET 1 HB3 MET 1 -8.161 6.816 13.191 4 HG2 MET 1 HG2 MET 1 -6.340 9.101 14.046 5 HG3 MET 1 HG3 MET 1 -7.967 8.766 14.629 6 HE1 MET 1 HE1 MET 1 -7.272 8.867 17.119 7 HE2 MET 1 HE2 MET 1 -5.899 7.979 17.814 8 HE3 MET 1 HE3 MET 1 -5.611 9.272 16.627 9 H LYS 2 H LYS 2 -7.422 7.608 10.119 10 HA LYS 2 HA LYS 2 -7.696 4.801 9.079 11 HB2 LYS 2 HB2 LYS 2 -9.513 7.200 8.697 12 HB3 LYS 2 HB3 LYS 2 -9.631 5.699 7.768 13 HG2 LYS 2 HG2 LYS 2 -9.829 4.461 9.993 14 HG3 LYS 2 HG3 LYS 2 -10.047 6.033 10.770 15 HD2 LYS 2 HD2 LYS 2 -11.795 4.866 8.549 16 HD3 LYS 2 HD3 LYS 2 -12.189 4.870 10.271 17 HE2 LYS 2 HE2 LYS 2 -12.250 7.310 10.318 18 HE3 LYS 2 HE3 LYS 2 -11.730 7.399 8.632 19 HZ1 LYS 2 HZ1 LYS 2 -13.775 6.333 7.954 20 HZ2 LYS 2 HZ2 LYS 2 -14.151 7.625 8.869 21 HZ3 LYS 2 HZ3 LYS 2 -14.267 6.131 9.513 22 H ILE 3 H ILE 3 -7.505 4.341 6.957 23 HA ILE 3 HA ILE 3 -6.156 6.291 5.160 24 HB ILE 3 HB ILE 3 -5.151 3.487 5.799 25 HG12 ILE 3 HG12 ILE 3 -4.004 6.250 6.387 26 HG13 ILE 3 HG13 ILE 3 -4.506 5.022 7.550 27 HG21 ILE 3 HG21 ILE 3 -4.070 5.515 3.797 28 HG22 ILE 3 HG22 ILE 3 -3.354 3.933 4.178 29 HG23 ILE 3 HG23 ILE 3 -4.904 3.998 3.381 30 HD11 ILE 3 HD11 ILE 3 -2.142 5.007 7.542 31 HD12 ILE 3 HD12 ILE 3 -2.646 3.540 6.678 32 HD13 ILE 3 HD13 ILE 3 -2.049 4.956 5.777 33 H LYS 4 H LYS 4 -6.847 6.188 3.102 34 HA LYS 4 HA LYS 4 -8.841 4.113 2.294 35 HB2 LYS 4 HB2 LYS 4 -8.059 6.839 1.220 36 HB3 LYS 4 HB3 LYS 4 -9.043 5.703 0.284 37 HG2 LYS 4 HG2 LYS 4 -10.800 5.691 1.915 38 HG3 LYS 4 HG3 LYS 4 -9.812 6.549 3.104 39 HD2 LYS 4 HD2 LYS 4 -11.481 8.034 2.105 40 HD3 LYS 4 HD3 LYS 4 -9.833 8.580 1.763 41 HE2 LYS 4 HE2 LYS 4 -9.982 7.575 -0.515 42 HE3 LYS 4 HE3 LYS 4 -11.629 7.036 -0.164 43 HZ1 LYS 4 HZ1 LYS 4 -11.603 9.148 -1.385 44 HZ2 LYS 4 HZ2 LYS 4 -10.748 9.876 -0.203 45 HZ3 LYS 4 HZ3 LYS 4 -12.272 9.369 0.083 46 H ILE 5 H ILE 5 -7.796 2.283 1.631 47 HA ILE 5 HA ILE 5 -5.547 2.540 -0.300 48 HB ILE 5 HB ILE 5 -5.312 0.863 1.431 49 HG12 ILE 5 HG12 ILE 5 -5.584 -0.462 -1.299 50 HG13 ILE 5 HG13 ILE 5 -4.322 0.709 -0.914 51 HG21 ILE 5 HG21 ILE 5 -6.631 -1.187 1.491 52 HG22 ILE 5 HG22 ILE 5 -7.711 0.193 1.683 53 HG23 ILE 5 HG23 ILE 5 -7.623 -0.646 0.123 54 HD11 ILE 5 HD11 ILE 5 -3.437 -1.524 -0.676 55 HD12 ILE 5 HD12 ILE 5 -3.500 -0.746 0.917 56 HD13 ILE 5 HD13 ILE 5 -4.712 -1.971 0.465 57 H VAL 6 H VAL 6 -5.761 2.263 -2.471 58 HA VAL 6 HA VAL 6 -8.394 1.369 -3.563 59 HB VAL 6 HB VAL 6 -8.510 3.698 -3.603 60 HG11 VAL 6 HG11 VAL 6 -6.146 4.387 -3.581 61 HG12 VAL 6 HG12 VAL 6 -5.994 3.884 -5.281 62 HG13 VAL 6 HG13 VAL 6 -7.088 5.198 -4.838 63 HG21 VAL 6 HG21 VAL 6 -7.934 2.727 -6.424 64 HG22 VAL 6 HG22 VAL 6 -9.421 2.396 -5.512 65 HG23 VAL 6 HG23 VAL 6 -8.998 4.059 -5.938 66 HA PRO 7 HA PRO 7 -5.226 -1.049 -5.705 67 HB2 PRO 7 HB2 PRO 7 -6.158 -3.534 -5.300 68 HB3 PRO 7 HB3 PRO 7 -5.423 -2.605 -3.963 69 HG2 PRO 7 HG2 PRO 7 -8.375 -2.950 -4.572 70 HG3 PRO 7 HG3 PRO 7 -7.538 -3.128 -2.999 71 HD2 PRO 7 HD2 PRO 7 -8.816 -0.807 -3.837 72 HD3 PRO 7 HD3 PRO 7 -7.454 -0.825 -2.681 73 H ALA 8 H ALA 8 -5.163 -1.633 -7.789 74 HA ALA 8 HA ALA 8 -7.413 -1.110 -9.486 75 HB1 ALA 8 HB1 ALA 8 -5.763 -1.410 -11.272 76 HB2 ALA 8 HB2 ALA 8 -5.080 -0.444 -9.954 77 HB3 ALA 8 HB3 ALA 8 -4.626 -2.156 -10.126 78 H VAL 9 H VAL 9 -8.194 -3.328 -7.927 79 HA VAL 9 HA VAL 9 -8.655 -5.433 -9.973 80 HB VAL 9 HB VAL 9 -8.213 -7.243 -8.386 81 HG11 VAL 9 HG11 VAL 9 -5.730 -5.532 -8.735 82 HG12 VAL 9 HG12 VAL 9 -5.823 -7.294 -8.543 83 HG13 VAL 9 HG13 VAL 9 -6.464 -6.536 -10.006 84 HG21 VAL 9 HG21 VAL 9 -6.922 -5.166 -6.585 85 HG22 VAL 9 HG22 VAL 9 -8.454 -5.996 -6.239 86 HG23 VAL 9 HG23 VAL 9 -6.953 -6.920 -6.337 87 H GLY 10 H GLY 10 -10.383 -6.941 -9.413 88 HA2 GLY 10 HA2 GLY 10 -12.544 -7.413 -8.743 89 HA3 GLY 10 HA3 GLY 10 -12.176 -6.590 -7.226 90 H GLY 11 H GLY 11 -13.632 -5.037 -6.819 91 HA2 GLY 11 HA2 GLY 11 -15.220 -3.654 -8.818 92 HA3 GLY 11 HA3 GLY 11 -15.135 -3.305 -7.089 93 H GLY 12 H GLY 12 -11.984 -3.085 -7.707 94 HA2 GLY 12 HA2 GLY 12 -10.461 -1.464 -8.181 95 HA3 GLY 12 HA3 GLY 12 -11.591 -0.817 -9.368 96 H SER 13 H SER 13 -12.946 -0.802 -6.241 97 HA SER 13 HA SER 13 -12.903 2.137 -6.207 98 HB2 SER 13 HB2 SER 13 -14.470 0.081 -4.605 99 HB3 SER 13 HB3 SER 13 -14.657 1.832 -4.438 100 HG SER 13 HG SER 13 -15.069 0.310 -6.823 101 HA PRO 14 HA PRO 14 -10.265 2.564 -2.576 102 HB2 PRO 14 HB2 PRO 14 -11.348 4.756 -1.328 103 HB3 PRO 14 HB3 PRO 14 -10.375 4.862 -2.825 104 HG2 PRO 14 HG2 PRO 14 -13.398 4.782 -2.582 105 HG3 PRO 14 HG3 PRO 14 -12.394 5.927 -3.530 106 HD2 PRO 14 HD2 PRO 14 -13.539 3.770 -4.691 107 HD3 PRO 14 HD3 PRO 14 -11.889 4.278 -5.155 108 H LEU 15 H LEU 15 -10.250 1.997 -0.424 109 HA LEU 15 HA LEU 15 -12.795 1.378 0.999 110 HB2 LEU 15 HB2 LEU 15 -10.695 -0.470 0.018 111 HB3 LEU 15 HB3 LEU 15 -10.982 -0.644 1.738 112 HG LEU 15 HG LEU 15 -13.265 -0.673 -0.276 113 HD11 LEU 15 HD11 LEU 15 -11.719 -2.490 -0.846 114 HD12 LEU 15 HD12 LEU 15 -13.189 -3.138 -0.102 115 HD13 LEU 15 HD13 LEU 15 -11.690 -3.027 0.850 116 HD21 LEU 15 HD21 LEU 15 -14.437 -1.862 1.557 117 HD22 LEU 15 HD22 LEU 15 -13.890 -0.273 2.104 118 HD23 LEU 15 HD23 LEU 15 -12.993 -1.727 2.583 119 H GLU 16 H GLU 16 -12.858 2.185 2.966 120 HA GLU 16 HA GLU 16 -10.540 3.464 4.224 121 HB2 GLU 16 HB2 GLU 16 -13.400 3.033 5.180 122 HB3 GLU 16 HB3 GLU 16 -12.152 3.931 6.055 123 HG2 GLU 16 HG2 GLU 16 -11.989 5.546 4.193 124 HG3 GLU 16 HG3 GLU 16 -13.213 4.647 3.289 125 H LEU 17 H LEU 17 -9.055 2.313 5.245 126 HA LEU 17 HA LEU 17 -9.848 0.094 7.098 127 HB2 LEU 17 HB2 LEU 17 -7.467 0.445 5.265 128 HB3 LEU 17 HB3 LEU 17 -7.245 -0.350 6.813 129 HG LEU 17 HG LEU 17 -9.004 -2.010 6.250 130 HD11 LEU 17 HD11 LEU 17 -10.328 -0.900 4.543 131 HD12 LEU 17 HD12 LEU 17 -9.585 -2.329 3.834 132 HD13 LEU 17 HD13 LEU 17 -8.908 -0.719 3.493 133 HD21 LEU 17 HD21 LEU 17 -6.601 -2.456 5.920 134 HD22 LEU 17 HD22 LEU 17 -6.703 -1.810 4.266 135 HD23 LEU 17 HD23 LEU 17 -7.588 -3.289 4.710 136 H GLU 18 H GLU 18 -8.725 -0.017 9.071 137 HA GLU 18 HA GLU 18 -7.367 2.476 10.022 138 HB2 GLU 18 HB2 GLU 18 -9.509 2.228 11.119 139 HB3 GLU 18 HB3 GLU 18 -9.155 0.551 11.547 140 HG2 GLU 18 HG2 GLU 18 -7.307 1.274 13.003 141 HG3 GLU 18 HG3 GLU 18 -7.577 2.960 12.546 142 H VAL 19 H VAL 19 -5.338 2.222 10.815 143 HA VAL 19 HA VAL 19 -4.233 -0.504 11.268 144 HB VAL 19 HB VAL 19 -2.284 -0.066 9.900 145 HG11 VAL 19 HG11 VAL 19 -4.218 -1.250 8.890 146 HG12 VAL 19 HG12 VAL 19 -4.784 0.292 8.208 147 HG13 VAL 19 HG13 VAL 19 -3.226 -0.386 7.703 148 HG21 VAL 19 HG21 VAL 19 -2.168 1.757 8.276 149 HG22 VAL 19 HG22 VAL 19 -3.669 2.461 8.914 150 HG23 VAL 19 HG23 VAL 19 -2.202 2.397 9.919 151 H ALA 20 H ALA 20 -2.214 -0.571 12.377 152 HA ALA 20 HA ALA 20 -1.943 1.339 14.508 153 HB1 ALA 20 HB1 ALA 20 0.013 -0.062 15.116 154 HB2 ALA 20 HB2 ALA 20 -1.402 -1.059 14.739 155 HB3 ALA 20 HB3 ALA 20 -0.089 -0.891 13.550 156 HA PRO 21 HA PRO 21 0.763 4.334 12.582 157 HB2 PRO 21 HB2 PRO 21 2.290 5.224 14.693 158 HB3 PRO 21 HB3 PRO 21 0.561 5.627 14.476 159 HG2 PRO 21 HG2 PRO 21 1.752 3.425 16.194 160 HG3 PRO 21 HG3 PRO 21 0.525 4.650 16.656 161 HD2 PRO 21 HD2 PRO 21 -0.206 2.157 15.907 162 HD3 PRO 21 HD3 PRO 21 -1.161 3.575 15.383 163 H ASN 22 H ASN 22 2.171 1.667 14.395 164 HA ASN 22 HA ASN 22 4.837 1.913 13.204 165 HB2 ASN 22 HB2 ASN 22 3.571 -0.137 15.066 166 HB3 ASN 22 HB3 ASN 22 5.249 -0.189 14.539 167 HD21 ASN 22 HD21 ASN 22 3.425 0.745 17.125 168 HD22 ASN 22 HD22 ASN 22 4.485 2.011 17.723 169 H ALA 23 H ALA 23 2.205 1.151 11.546 170 HA ALA 23 HA ALA 23 2.730 -1.388 10.351 171 HB1 ALA 23 HB1 ALA 23 1.418 1.127 9.232 172 HB2 ALA 23 HB2 ALA 23 1.345 -0.485 8.492 173 HB3 ALA 23 HB3 ALA 23 0.606 -0.207 10.081 174 H THR 24 H THR 24 4.570 -2.005 9.367 175 HA THR 24 HA THR 24 6.425 -0.029 8.244 176 HB THR 24 HB THR 24 8.074 -1.594 8.251 177 HG1 THR 24 HG1 THR 24 7.702 -3.835 8.302 178 HG21 THR 24 HG21 THR 24 8.094 -2.785 10.328 179 HG22 THR 24 HG22 THR 24 6.322 -2.849 10.401 180 HG23 THR 24 HG23 THR 24 7.166 -1.304 10.608 181 H VAL 25 H VAL 25 7.293 -0.087 6.093 182 HA VAL 25 HA VAL 25 5.378 -0.584 3.999 183 HB VAL 25 HB VAL 25 8.392 -0.216 3.797 184 HG11 VAL 25 HG11 VAL 25 6.203 -0.007 1.681 185 HG12 VAL 25 HG12 VAL 25 7.888 0.487 1.468 186 HG13 VAL 25 HG13 VAL 25 7.516 -1.209 1.723 187 HG21 VAL 25 HG21 VAL 25 7.232 1.733 4.843 188 HG22 VAL 25 HG22 VAL 25 7.887 2.111 3.253 189 HG23 VAL 25 HG23 VAL 25 6.142 1.814 3.446 190 H GLY 26 H GLY 26 8.159 -2.495 5.200 191 HA2 GLY 26 HA2 GLY 26 8.136 -4.534 3.217 192 HA3 GLY 26 HA3 GLY 26 8.775 -4.685 4.860 193 H ALA 27 H ALA 27 6.344 -4.316 6.339 194 HA ALA 27 HA ALA 27 5.153 -6.910 6.224 195 HB1 ALA 27 HB1 ALA 27 4.188 -4.326 7.534 196 HB2 ALA 27 HB2 ALA 27 3.574 -5.957 7.880 197 HB3 ALA 27 HB3 ALA 27 5.255 -5.545 8.267 198 H VAL 28 H VAL 28 3.932 -3.719 5.071 199 HA VAL 28 HA VAL 28 1.470 -4.740 3.979 200 HB VAL 28 HB VAL 28 3.032 -2.216 3.317 201 HG11 VAL 28 HG11 VAL 28 1.527 -2.709 1.438 202 HG12 VAL 28 HG12 VAL 28 0.179 -2.996 2.559 203 HG13 VAL 28 HG13 VAL 28 0.880 -1.372 2.388 204 HG21 VAL 28 HG21 VAL 28 2.186 -2.343 5.662 205 HG22 VAL 28 HG22 VAL 28 1.336 -1.112 4.724 206 HG23 VAL 28 HG23 VAL 28 0.556 -2.676 5.047 207 H ARG 29 H ARG 29 4.630 -4.068 2.394 208 HA ARG 29 HA ARG 29 3.973 -4.889 -0.240 209 HB2 ARG 29 HB2 ARG 29 6.049 -3.691 0.555 210 HB3 ARG 29 HB3 ARG 29 6.625 -5.216 1.233 211 HG2 ARG 29 HG2 ARG 29 6.526 -6.183 -1.137 212 HG3 ARG 29 HG3 ARG 29 6.137 -4.545 -1.701 213 HD2 ARG 29 HD2 ARG 29 8.259 -3.743 -0.582 214 HD3 ARG 29 HD3 ARG 29 8.624 -5.424 -0.174 215 HE ARG 29 HE ARG 29 8.255 -4.520 -3.014 216 HH11 ARG 29 HH11 ARG 29 10.334 -6.132 -0.687 217 HH12 ARG 29 HH12 ARG 29 11.544 -6.482 -1.887 218 HH21 ARG 29 HH21 ARG 29 9.877 -4.962 -4.469 219 HH22 ARG 29 HH22 ARG 29 11.274 -5.862 -3.962 220 H THR 30 H THR 30 5.178 -6.866 2.483 221 HA THR 30 HA THR 30 5.202 -9.372 1.068 222 HB THR 30 HB THR 30 4.896 -8.850 4.046 223 HG1 THR 30 HG1 THR 30 6.798 -8.045 3.348 224 HG21 THR 30 HG21 THR 30 5.893 -11.126 4.281 225 HG22 THR 30 HG22 THR 30 5.706 -11.361 2.531 226 HG23 THR 30 HG23 THR 30 4.269 -11.172 3.566 227 H LYS 31 H LYS 31 2.656 -7.857 3.131 228 HA LYS 31 HA LYS 31 0.745 -9.949 2.909 229 HB2 LYS 31 HB2 LYS 31 0.853 -7.380 4.099 230 HB3 LYS 31 HB3 LYS 31 -0.408 -7.209 2.922 231 HG2 LYS 31 HG2 LYS 31 -1.862 -8.256 4.246 232 HG3 LYS 31 HG3 LYS 31 -0.889 -9.719 4.277 233 HD2 LYS 31 HD2 LYS 31 -0.571 -7.321 6.135 234 HD3 LYS 31 HD3 LYS 31 -1.341 -8.863 6.539 235 HE2 LYS 31 HE2 LYS 31 0.815 -10.046 6.123 236 HE3 LYS 31 HE3 LYS 31 1.592 -8.500 5.760 237 HZ1 LYS 31 HZ1 LYS 31 1.972 -9.148 8.065 238 HZ2 LYS 31 HZ2 LYS 31 0.372 -9.225 8.371 239 HZ3 LYS 31 HZ3 LYS 31 1.069 -7.786 8.039 240 H VAL 32 H VAL 32 1.186 -7.078 0.878 241 HA VAL 32 HA VAL 32 -0.886 -7.590 -1.014 242 HB VAL 32 HB VAL 32 1.686 -5.984 -1.130 243 HG11 VAL 32 HG11 VAL 32 0.773 -4.878 -3.162 244 HG12 VAL 32 HG12 VAL 32 1.244 -6.550 -3.449 245 HG13 VAL 32 HG13 VAL 32 -0.479 -6.140 -3.264 246 HG21 VAL 32 HG21 VAL 32 -1.261 -5.195 -0.989 247 HG22 VAL 32 HG22 VAL 32 -0.140 -5.180 0.374 248 HG23 VAL 32 HG23 VAL 32 0.128 -4.081 -0.982 249 H CYS 33 H CYS 33 2.638 -8.404 -1.275 250 HA CYS 33 HA CYS 33 2.421 -9.736 -3.771 251 HB2 CYS 33 HB2 CYS 33 4.520 -8.942 -2.767 252 HB3 CYS 33 HB3 CYS 33 4.377 -10.137 -1.465 253 HG CYS 33 HG CYS 33 4.521 -10.726 -4.741 254 H ALA 34 H ALA 34 2.149 -11.125 -0.451 255 HA ALA 34 HA ALA 34 1.741 -13.824 -1.277 256 HB1 ALA 34 HB1 ALA 34 0.910 -14.116 1.031 257 HB2 ALA 34 HB2 ALA 34 2.397 -13.147 0.998 258 HB3 ALA 34 HB3 ALA 34 0.822 -12.353 1.234 259 H MET 35 H MET 35 -0.663 -11.224 -0.585 260 HA MET 35 HA MET 35 -2.974 -12.864 -1.044 261 HB2 MET 35 HB2 MET 35 -2.904 -10.790 0.309 262 HB3 MET 35 HB3 MET 35 -2.658 -9.835 -1.161 263 HG2 MET 35 HG2 MET 35 -4.867 -10.558 -2.002 264 HG3 MET 35 HG3 MET 35 -5.070 -11.596 -0.583 265 HE1 MET 35 HE1 MET 35 -7.354 -10.677 0.147 266 HE2 MET 35 HE2 MET 35 -7.763 -8.950 0.223 267 HE3 MET 35 HE3 MET 35 -7.381 -9.703 -1.340 268 H LYS 36 H LYS 36 -1.105 -10.741 -3.221 269 HA LYS 36 HA LYS 36 -2.859 -11.145 -5.534 270 HB2 LYS 36 HB2 LYS 36 -0.040 -10.023 -5.213 271 HB3 LYS 36 HB3 LYS 36 -0.923 -9.987 -6.727 272 HG2 LYS 36 HG2 LYS 36 -2.245 -8.728 -4.313 273 HG3 LYS 36 HG3 LYS 36 -0.868 -7.928 -5.030 274 HD2 LYS 36 HD2 LYS 36 -2.887 -7.003 -5.979 275 HD3 LYS 36 HD3 LYS 36 -1.952 -7.829 -7.215 276 HE2 LYS 36 HE2 LYS 36 -4.265 -8.333 -7.576 277 HE3 LYS 36 HE3 LYS 36 -3.465 -9.806 -7.048 278 HZ1 LYS 36 HZ1 LYS 36 -4.385 -9.413 -4.806 279 HZ2 LYS 36 HZ2 LYS 36 -5.595 -9.453 -5.898 280 HZ3 LYS 36 HZ3 LYS 36 -5.086 -8.022 -5.292 281 H LYS 37 H LYS 37 -0.276 -12.975 -4.190 282 HA LYS 37 HA LYS 37 0.977 -14.744 -4.826 283 HB2 LYS 37 HB2 LYS 37 -1.286 -15.274 -6.791 284 HB3 LYS 37 HB3 LYS 37 -0.020 -16.422 -6.427 285 HG2 LYS 37 HG2 LYS 37 -1.591 -15.388 -4.073 286 HG3 LYS 37 HG3 LYS 37 -2.431 -16.408 -5.227 287 HD2 LYS 37 HD2 LYS 37 -1.560 -17.750 -3.410 288 HD3 LYS 37 HD3 LYS 37 -0.813 -18.206 -4.945 289 HE2 LYS 37 HE2 LYS 37 1.204 -16.869 -4.350 290 HE3 LYS 37 HE3 LYS 37 0.448 -16.425 -2.810 291 HZ1 LYS 37 HZ1 LYS 37 1.954 -18.325 -2.562 292 HZ2 LYS 37 HZ2 LYS 37 1.117 -19.200 -3.654 293 HZ3 LYS 37 HZ3 LYS 37 0.428 -18.797 -2.228 294 H LEU 38 H LEU 38 1.365 -12.149 -6.181 295 HA LEU 38 HA LEU 38 2.797 -12.973 -8.663 296 HB2 LEU 38 HB2 LEU 38 0.546 -11.089 -8.286 297 HB3 LEU 38 HB3 LEU 38 1.922 -10.339 -9.055 298 HG LEU 38 HG LEU 38 1.908 -11.966 -10.864 299 HD11 LEU 38 HD11 LEU 38 1.069 -13.996 -9.825 300 HD12 LEU 38 HD12 LEU 38 -0.010 -13.542 -11.139 301 HD13 LEU 38 HD13 LEU 38 -0.488 -13.215 -9.458 302 HD21 LEU 38 HD21 LEU 38 -0.189 -11.276 -11.916 303 HD22 LEU 38 HD22 LEU 38 0.480 -9.927 -10.988 304 HD23 LEU 38 HD23 LEU 38 -0.880 -10.858 -10.332 305 HA PRO 39 HA PRO 39 6.201 -10.992 -6.794 306 HB2 PRO 39 HB2 PRO 39 7.888 -10.510 -8.912 307 HB3 PRO 39 HB3 PRO 39 7.471 -12.148 -8.327 308 HG2 PRO 39 HG2 PRO 39 6.221 -10.615 -10.626 309 HG3 PRO 39 HG3 PRO 39 6.825 -12.302 -10.619 310 HD2 PRO 39 HD2 PRO 39 4.189 -11.729 -10.256 311 HD3 PRO 39 HD3 PRO 39 4.980 -13.067 -9.373 312 HA PRO 40 HA PRO 40 5.884 -6.603 -6.774 313 HB2 PRO 40 HB2 PRO 40 8.349 -5.733 -5.968 314 HB3 PRO 40 HB3 PRO 40 7.237 -6.660 -4.915 315 HG2 PRO 40 HG2 PRO 40 9.529 -7.742 -6.597 316 HG3 PRO 40 HG3 PRO 40 9.212 -8.028 -4.851 317 HD2 PRO 40 HD2 PRO 40 8.410 -9.803 -6.717 318 HD3 PRO 40 HD3 PRO 40 7.354 -9.420 -5.325 319 H ASP 41 H ASP 41 7.817 -8.013 -9.213 320 HA ASP 41 HA ASP 41 8.622 -5.576 -10.589 321 HB2 ASP 41 HB2 ASP 41 9.638 -7.863 -10.891 322 HB3 ASP 41 HB3 ASP 41 8.150 -8.380 -11.683 323 H THR 42 H THR 42 5.741 -7.710 -10.672 324 HA THR 42 HA THR 42 4.413 -5.944 -12.656 325 HB THR 42 HB THR 42 4.021 -8.188 -13.136 326 HG1 THR 42 HG1 THR 42 1.815 -8.096 -13.129 327 HG21 THR 42 HG21 THR 42 2.823 -9.755 -11.717 328 HG22 THR 42 HG22 THR 42 2.807 -8.597 -10.370 329 HG23 THR 42 HG23 THR 42 4.340 -9.298 -10.945 330 H THR 43 H THR 43 3.884 -6.988 -9.236 331 HA THR 43 HA THR 43 1.763 -4.982 -8.962 332 HB THR 43 HB THR 43 2.876 -6.923 -6.921 333 HG1 THR 43 HG1 THR 43 1.141 -8.157 -7.480 334 HG21 THR 43 HG21 THR 43 0.688 -6.538 -5.796 335 HG22 THR 43 HG22 THR 43 0.313 -5.259 -6.967 336 HG23 THR 43 HG23 THR 43 1.664 -5.071 -5.825 337 H ARG 44 H ARG 44 1.971 -2.974 -8.108 338 HA ARG 44 HA ARG 44 4.144 -2.369 -6.178 339 HB2 ARG 44 HB2 ARG 44 3.852 -0.996 -8.877 340 HB3 ARG 44 HB3 ARG 44 4.550 -0.163 -7.488 341 HG2 ARG 44 HG2 ARG 44 6.155 -2.121 -7.213 342 HG3 ARG 44 HG3 ARG 44 5.613 -2.687 -8.806 343 HD2 ARG 44 HD2 ARG 44 6.405 -0.639 -9.855 344 HD3 ARG 44 HD3 ARG 44 6.715 0.094 -8.268 345 HE ARG 44 HE ARG 44 8.161 -2.413 -8.824 346 HH11 ARG 44 HH11 ARG 44 8.412 1.087 -8.891 347 HH12 ARG 44 HH12 ARG 44 10.151 1.056 -8.800 348 HH21 ARG 44 HH21 ARG 44 10.385 -2.372 -8.734 349 HH22 ARG 44 HH22 ARG 44 11.231 -0.852 -8.735 350 H LEU 45 H LEU 45 3.996 -0.261 -5.212 351 HA LEU 45 HA LEU 45 1.210 0.621 -4.648 352 HB2 LEU 45 HB2 LEU 45 1.767 -1.258 -3.167 353 HB3 LEU 45 HB3 LEU 45 3.292 -0.495 -2.733 354 HG LEU 45 HG LEU 45 2.046 1.350 -1.593 355 HD11 LEU 45 HD11 LEU 45 -0.351 -0.374 -2.335 356 HD12 LEU 45 HD12 LEU 45 -0.097 1.344 -2.725 357 HD13 LEU 45 HD13 LEU 45 -0.386 0.841 -1.053 358 HD21 LEU 45 HD21 LEU 45 1.299 -1.459 -0.689 359 HD22 LEU 45 HD22 LEU 45 1.354 0.001 0.326 360 HD23 LEU 45 HD23 LEU 45 2.847 -0.648 -0.366 361 H THR 46 H THR 46 1.036 2.782 -4.197 362 HA THR 46 HA THR 46 3.474 4.382 -3.559 363 HB THR 46 HB THR 46 2.870 6.089 -5.189 364 HG1 THR 46 HG1 THR 46 0.999 4.191 -6.140 365 HG21 THR 46 HG21 THR 46 3.588 5.022 -7.231 366 HG22 THR 46 HG22 THR 46 3.197 3.410 -6.595 367 HG23 THR 46 HG23 THR 46 4.512 4.365 -5.869 368 H TYR 47 H TYR 47 3.135 6.446 -2.726 369 HA TYR 47 HA TYR 47 0.470 7.325 -1.839 370 HB2 TYR 47 HB2 TYR 47 0.853 5.997 0.027 371 HB3 TYR 47 HB3 TYR 47 2.592 6.232 -0.007 372 HD1 TYR 47 HD1 TYR 47 -0.428 8.499 0.346 373 HD2 TYR 47 HD2 TYR 47 3.426 7.312 1.860 374 HE1 TYR 47 HE1 TYR 47 -0.581 10.248 2.109 375 HE2 TYR 47 HE2 TYR 47 3.287 9.077 3.599 376 HH TYR 47 HH TYR 47 2.032 10.770 4.501 377 H LYS 48 H LYS 48 0.386 9.534 -1.618 378 HA LYS 48 HA LYS 48 0.928 11.708 -2.039 379 HB2 LYS 48 HB2 LYS 48 2.105 11.013 0.233 380 HB3 LYS 48 HB3 LYS 48 3.583 11.226 -0.677 381 HG2 LYS 48 HG2 LYS 48 3.448 13.346 0.085 382 HG3 LYS 48 HG3 LYS 48 2.359 13.605 -1.272 383 HD2 LYS 48 HD2 LYS 48 1.573 12.965 1.608 384 HD3 LYS 48 HD3 LYS 48 1.482 14.545 0.821 385 HE2 LYS 48 HE2 LYS 48 -0.175 13.622 -0.807 386 HE3 LYS 48 HE3 LYS 48 -0.120 12.069 0.044 387 HZ1 LYS 48 HZ1 LYS 48 -0.930 13.225 2.043 388 HZ2 LYS 48 HZ2 LYS 48 -1.984 13.430 0.809 389 HZ3 LYS 48 HZ3 LYS 48 -0.991 14.647 1.243 390 H GLY 49 H GLY 49 1.610 9.949 -4.193 391 HA2 GLY 49 HA2 GLY 49 2.546 10.103 -6.298 392 HA3 GLY 49 HA3 GLY 49 3.227 11.673 -5.867 393 H ARG 50 H ARG 50 4.135 9.129 -3.718 394 HA ARG 50 HA ARG 50 6.827 8.800 -4.993 395 HB2 ARG 50 HB2 ARG 50 5.958 9.444 -2.156 396 HB3 ARG 50 HB3 ARG 50 7.473 8.610 -2.423 397 HG2 ARG 50 HG2 ARG 50 6.879 11.180 -3.928 398 HG3 ARG 50 HG3 ARG 50 7.422 11.234 -2.253 399 HD2 ARG 50 HD2 ARG 50 8.940 9.748 -4.437 400 HD3 ARG 50 HD3 ARG 50 9.253 11.426 -4.021 401 HE ARG 50 HE ARG 50 9.920 9.034 -2.424 402 HH11 ARG 50 HH11 ARG 50 9.768 12.538 -2.366 403 HH12 ARG 50 HH12 ARG 50 10.762 12.644 -0.938 404 HH21 ARG 50 HH21 ARG 50 11.156 9.248 -0.593 405 HH22 ARG 50 HH22 ARG 50 11.521 10.829 0.031 406 H ALA 51 H ALA 51 7.928 6.924 -4.657 407 HA ALA 51 HA ALA 51 6.460 4.506 -3.758 408 HB1 ALA 51 HB1 ALA 51 9.270 4.877 -4.887 409 HB2 ALA 51 HB2 ALA 51 8.503 3.328 -4.476 410 HB3 ALA 51 HB3 ALA 51 7.839 4.322 -5.789 411 H LEU 52 H LEU 52 6.556 3.912 -1.689 412 HA LEU 52 HA LEU 52 8.528 5.095 0.209 413 HB2 LEU 52 HB2 LEU 52 5.863 3.665 0.460 414 HB3 LEU 52 HB3 LEU 52 6.957 3.735 1.820 415 HG LEU 52 HG LEU 52 5.133 5.433 1.827 416 HD11 LEU 52 HD11 LEU 52 6.527 7.251 2.674 417 HD12 LEU 52 HD12 LEU 52 7.963 6.547 1.900 418 HD13 LEU 52 HD13 LEU 52 7.128 5.678 3.211 419 HD21 LEU 52 HD21 LEU 52 6.753 6.878 -0.305 420 HD22 LEU 52 HD22 LEU 52 5.328 7.488 0.540 421 HD23 LEU 52 HD23 LEU 52 5.165 6.111 -0.562 422 H LYS 53 H LYS 53 10.136 3.892 1.118 423 HA LYS 53 HA LYS 53 10.035 1.032 1.426 424 HB2 LYS 53 HB2 LYS 53 10.751 1.471 -1.078 425 HB3 LYS 53 HB3 LYS 53 12.311 1.906 -0.386 426 HG2 LYS 53 HG2 LYS 53 12.475 -0.318 0.671 427 HG3 LYS 53 HG3 LYS 53 10.850 -0.739 0.124 428 HD2 LYS 53 HD2 LYS 53 13.205 -0.136 -1.717 429 HD3 LYS 53 HD3 LYS 53 12.688 -1.757 -1.223 430 HE2 LYS 53 HE2 LYS 53 10.452 -1.364 -2.240 431 HE3 LYS 53 HE3 LYS 53 10.972 0.240 -2.767 432 HZ1 LYS 53 HZ1 LYS 53 11.218 -1.385 -4.548 433 HZ2 LYS 53 HZ2 LYS 53 12.214 -2.313 -3.643 434 HZ3 LYS 53 HZ3 LYS 53 12.690 -0.827 -4.124 435 H ASP 54 H ASP 54 11.615 0.231 2.817 436 HA ASP 54 HA ASP 54 12.964 0.254 4.622 437 HB2 ASP 54 HB2 ASP 54 14.656 2.065 2.880 438 HB3 ASP 54 HB3 ASP 54 15.220 1.123 4.258 439 H THR 55 H THR 55 10.884 2.329 4.803 440 HA THR 55 HA THR 55 12.086 4.570 6.263 441 HB THR 55 HB THR 55 9.765 5.317 6.538 442 HG1 THR 55 HG1 THR 55 8.609 3.467 6.729 443 HG21 THR 55 HG21 THR 55 9.240 5.746 4.250 444 HG22 THR 55 HG22 THR 55 10.122 4.317 3.687 445 HG23 THR 55 HG23 THR 55 11.011 5.706 4.356 446 H GLU 56 H GLU 56 11.078 1.452 7.150 447 HA GLU 56 HA GLU 56 10.532 0.295 8.974 448 HB2 GLU 56 HB2 GLU 56 12.405 2.327 10.116 449 HB3 GLU 56 HB3 GLU 56 11.436 1.393 11.244 450 HG2 GLU 56 HG2 GLU 56 13.542 0.291 10.926 451 HG3 GLU 56 HG3 GLU 56 12.239 -0.713 10.307 452 H THR 57 H THR 57 9.701 3.716 9.704 453 HA THR 57 HA THR 57 6.952 2.866 10.268 454 HB THR 57 HB THR 57 7.852 2.554 12.473 455 HG1 THR 57 HG1 THR 57 6.502 3.958 13.532 456 HG21 THR 57 HG21 THR 57 8.839 4.330 13.812 457 HG22 THR 57 HG22 THR 57 8.754 5.464 12.455 458 HG23 THR 57 HG23 THR 57 9.847 4.065 12.384 459 H LEU 58 H LEU 58 5.457 4.435 9.880 460 HA LEU 58 HA LEU 58 6.278 6.614 8.208 461 HB2 LEU 58 HB2 LEU 58 4.081 5.216 8.218 462 HB3 LEU 58 HB3 LEU 58 3.567 6.264 9.537 463 HG LEU 58 HG LEU 58 3.920 8.252 7.957 464 HD11 LEU 58 HD11 LEU 58 5.416 7.193 6.289 465 HD12 LEU 58 HD12 LEU 58 3.918 7.721 5.520 466 HD13 LEU 58 HD13 LEU 58 4.157 6.003 5.897 467 HD21 LEU 58 HD21 LEU 58 1.830 7.843 6.719 468 HD22 LEU 58 HD22 LEU 58 1.691 7.295 8.396 469 HD23 LEU 58 HD23 LEU 58 1.932 6.109 7.097 470 H GLU 59 H GLU 59 5.680 6.391 11.653 471 HA GLU 59 HA GLU 59 5.291 9.176 12.228 472 HB2 GLU 59 HB2 GLU 59 4.638 7.311 13.666 473 HB3 GLU 59 HB3 GLU 59 6.314 6.895 13.969 474 HG2 GLU 59 HG2 GLU 59 5.140 9.633 14.636 475 HG3 GLU 59 HG3 GLU 59 4.961 8.262 15.718 476 H SER 60 H SER 60 8.236 7.345 11.615 477 HA SER 60 HA SER 60 10.087 9.241 12.775 478 HB2 SER 60 HB2 SER 60 10.674 6.901 12.332 479 HB3 SER 60 HB3 SER 60 10.481 7.163 10.587 480 HG SER 60 HG SER 60 12.678 7.310 11.321 481 H LEU 61 H LEU 61 8.725 8.849 9.501 482 HA LEU 61 HA LEU 61 10.199 11.151 8.402 483 HB2 LEU 61 HB2 LEU 61 8.125 9.210 7.305 484 HB3 LEU 61 HB3 LEU 61 8.634 10.647 6.429 485 HG LEU 61 HG LEU 61 10.992 9.869 6.456 486 HD11 LEU 61 HD11 LEU 61 11.396 7.409 6.856 487 HD12 LEU 61 HD12 LEU 61 9.811 7.330 7.663 488 HD13 LEU 61 HD13 LEU 61 11.120 8.339 8.322 489 HD21 LEU 61 HD21 LEU 61 9.493 9.470 4.544 490 HD22 LEU 61 HD22 LEU 61 8.971 7.931 5.261 491 HD23 LEU 61 HD23 LEU 61 10.658 8.155 4.729 492 H GLY 62 H GLY 62 6.877 10.433 9.453 493 HA2 GLY 62 HA2 GLY 62 5.963 12.636 10.598 494 HA3 GLY 62 HA3 GLY 62 5.946 13.206 8.928 495 H VAL 63 H VAL 63 4.375 11.234 11.282 496 HA VAL 63 HA VAL 63 2.539 9.881 9.455 497 HB VAL 63 HB VAL 63 3.220 8.820 11.520 498 HG11 VAL 63 HG11 VAL 63 1.626 10.948 13.012 499 HG12 VAL 63 HG12 VAL 63 2.387 9.508 13.714 500 HG13 VAL 63 HG13 VAL 63 3.395 10.788 13.031 501 HG21 VAL 63 HG21 VAL 63 1.116 7.963 12.262 502 HG22 VAL 63 HG22 VAL 63 0.239 9.372 11.645 503 HG23 VAL 63 HG23 VAL 63 1.024 8.237 10.517 504 H ALA 64 H ALA 64 0.320 10.234 9.234 505 HA ALA 64 HA ALA 64 -0.885 12.778 10.130 506 HB1 ALA 64 HB1 ALA 64 -0.567 11.981 7.203 507 HB2 ALA 64 HB2 ALA 64 -1.461 13.395 7.806 508 HB3 ALA 64 HB3 ALA 64 0.292 13.303 8.017 509 H ASP 65 H ASP 65 -3.216 12.657 8.622 510 HA ASP 65 HA ASP 65 -4.427 9.999 9.107 511 HB2 ASP 65 HB2 ASP 65 -4.687 11.424 11.182 512 HB3 ASP 65 HB3 ASP 65 -5.621 12.571 10.215 513 H GLY 66 H GLY 66 -6.357 9.578 7.960 514 HA2 GLY 66 HA2 GLY 66 -7.797 9.702 6.167 515 HA3 GLY 66 HA3 GLY 66 -7.544 11.450 6.087 516 H ASP 67 H ASP 67 -4.822 9.249 5.887 517 HA ASP 67 HA ASP 67 -3.926 10.260 3.333 518 HB2 ASP 67 HB2 ASP 67 -2.991 7.847 4.930 519 HB3 ASP 67 HB3 ASP 67 -2.132 8.578 3.579 520 H LYS 68 H LYS 68 -3.317 8.820 1.478 521 HA LYS 68 HA LYS 68 -5.128 6.530 1.074 522 HB2 LYS 68 HB2 LYS 68 -5.886 7.252 -1.097 523 HB3 LYS 68 HB3 LYS 68 -6.340 8.427 0.137 524 HG2 LYS 68 HG2 LYS 68 -4.458 9.899 -0.559 525 HG3 LYS 68 HG3 LYS 68 -3.990 8.713 -1.794 526 HD2 LYS 68 HD2 LYS 68 -6.197 8.975 -2.892 527 HD3 LYS 68 HD3 LYS 68 -6.654 10.189 -1.674 528 HE2 LYS 68 HE2 LYS 68 -4.740 11.607 -2.362 529 HE3 LYS 68 HE3 LYS 68 -4.250 10.392 -3.550 530 HZ1 LYS 68 HZ1 LYS 68 -5.553 12.161 -4.583 531 HZ2 LYS 68 HZ2 LYS 68 -6.825 11.878 -3.603 532 HZ3 LYS 68 HZ3 LYS 68 -6.369 10.754 -4.700 533 H PHE 69 H PHE 69 -4.487 4.944 -0.268 534 HA PHE 69 HA PHE 69 -1.662 5.049 -1.286 535 HB2 PHE 69 HB2 PHE 69 -2.985 3.030 0.538 536 HB3 PHE 69 HB3 PHE 69 -1.691 2.561 -0.540 537 HD1 PHE 69 HD1 PHE 69 -2.439 5.126 2.121 538 HD2 PHE 69 HD2 PHE 69 0.546 2.722 0.151 539 HE1 PHE 69 HE1 PHE 69 -0.747 5.880 3.770 540 HE2 PHE 69 HE2 PHE 69 2.232 3.458 1.815 541 HZ PHE 69 HZ PHE 69 1.591 5.044 3.623 542 H VAL 70 H VAL 70 -1.441 4.442 -3.322 543 HA VAL 70 HA VAL 70 -3.774 3.201 -4.731 544 HB VAL 70 HB VAL 70 -1.513 4.820 -5.944 545 HG11 VAL 70 HG11 VAL 70 -2.615 3.267 -7.527 546 HG12 VAL 70 HG12 VAL 70 -4.203 3.916 -7.066 547 HG13 VAL 70 HG13 VAL 70 -3.018 4.944 -7.900 548 HG21 VAL 70 HG21 VAL 70 -4.335 5.715 -5.223 549 HG22 VAL 70 HG22 VAL 70 -2.823 6.316 -4.512 550 HG23 VAL 70 HG23 VAL 70 -3.181 6.636 -6.209 551 H LEU 71 H LEU 71 -3.577 1.215 -5.551 552 HA LEU 71 HA LEU 71 -0.862 -0.043 -5.643 553 HB2 LEU 71 HB2 LEU 71 -2.253 -0.530 -3.643 554 HB3 LEU 71 HB3 LEU 71 -3.444 -1.293 -4.661 555 HG LEU 71 HG LEU 71 -0.553 -2.236 -4.441 556 HD11 LEU 71 HD11 LEU 71 -3.085 -3.153 -3.006 557 HD12 LEU 71 HD12 LEU 71 -1.669 -2.367 -2.269 558 HD13 LEU 71 HD13 LEU 71 -1.523 -3.985 -2.959 559 HD21 LEU 71 HD21 LEU 71 -3.059 -3.586 -5.560 560 HD22 LEU 71 HD22 LEU 71 -1.527 -4.421 -5.228 561 HD23 LEU 71 HD23 LEU 71 -1.577 -3.175 -6.458 562 H ILE 72 H ILE 72 -0.296 -0.978 -7.446 563 HA ILE 72 HA ILE 72 -2.268 -1.274 -9.675 564 HB ILE 72 HB ILE 72 0.613 -0.299 -9.831 565 HG12 ILE 72 HG12 ILE 72 -0.878 1.829 -10.710 566 HG13 ILE 72 HG13 ILE 72 -1.968 1.210 -9.485 567 HG21 ILE 72 HG21 ILE 72 -1.568 -0.458 -11.956 568 HG22 ILE 72 HG22 ILE 72 0.015 0.323 -12.159 569 HG23 ILE 72 HG23 ILE 72 -0.059 -1.407 -11.897 570 HD11 ILE 72 HD11 ILE 72 -0.109 1.413 -7.796 571 HD12 ILE 72 HD12 ILE 72 0.968 1.985 -9.087 572 HD13 ILE 72 HD13 ILE 72 -0.437 2.952 -8.610 573 H THR 73 H THR 73 -1.987 -2.994 -11.103 574 HA THR 73 HA THR 73 0.268 -4.857 -10.843 575 HB THR 73 HB THR 73 -1.215 -5.738 -9.143 576 HG1 THR 73 HG1 THR 73 -1.164 -7.751 -9.888 577 HG21 THR 73 HG21 THR 73 -3.426 -6.671 -9.687 578 HG22 THR 73 HG22 THR 73 -3.332 -6.012 -11.333 579 HG23 THR 73 HG23 THR 73 -3.421 -4.920 -9.935 580 H ARG 74 H ARG 74 0.474 -6.286 -12.645 581 HA ARG 74 HA ARG 74 -1.089 -5.495 -15.082 582 HB2 ARG 74 HB2 ARG 74 1.928 -5.847 -14.794 583 HB3 ARG 74 HB3 ARG 74 1.077 -5.882 -16.327 584 HG2 ARG 74 HG2 ARG 74 1.831 -3.716 -16.246 585 HG3 ARG 74 HG3 ARG 74 0.149 -3.574 -15.777 586 HD2 ARG 74 HD2 ARG 74 1.428 -2.088 -14.399 587 HD3 ARG 74 HD3 ARG 74 0.875 -3.388 -13.372 588 HE ARG 74 HE ARG 74 3.051 -3.974 -12.929 589 HH11 ARG 74 HH11 ARG 74 3.135 -1.837 -15.712 590 HH12 ARG 74 HH12 ARG 74 4.871 -1.715 -15.684 591 HH21 ARG 74 HH21 ARG 74 5.336 -3.837 -13.029 592 HH22 ARG 74 HH22 ARG 74 6.041 -2.798 -14.218 593 H THR 75 H THR 75 -1.818 -7.059 -16.357 594 HA THR 75 HA THR 75 -1.702 -9.837 -15.515 595 HB THR 75 HB THR 75 -2.992 -10.212 -17.668 596 HG1 THR 75 HG1 THR 75 -2.283 -8.389 -18.815 597 HG21 THR 75 HG21 THR 75 -4.101 -8.113 -15.752 598 HG22 THR 75 HG22 THR 75 -4.139 -9.876 -15.518 599 HG23 THR 75 HG23 THR 75 -5.041 -9.143 -16.851 600 H VAL 76 H VAL 76 -0.808 -11.606 -16.552 601 HA VAL 76 HA VAL 76 1.731 -11.223 -17.894 602 HB VAL 76 HB VAL 76 0.076 -13.725 -17.393 603 HG11 VAL 76 HG11 VAL 76 2.213 -14.968 -17.697 604 HG12 VAL 76 HG12 VAL 76 1.663 -14.216 -19.191 605 HG13 VAL 76 HG13 VAL 76 2.987 -13.472 -18.263 606 HG21 VAL 76 HG21 VAL 76 2.477 -12.559 -15.909 607 HG22 VAL 76 HG22 VAL 76 0.808 -12.612 -15.304 608 HG23 VAL 76 HG23 VAL 76 1.695 -14.115 -15.554 609 H GLY 77 H GLY 77 -1.529 -12.014 -19.029 610 HA2 GLY 77 HA2 GLY 77 -1.026 -11.184 -21.743 611 HA3 GLY 77 HA3 GLY 77 -1.092 -12.945 -21.629
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