NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
601396 | 2n2z | 25630 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H LEU 1 1.807 0.000 0.855 2 HA LEU 1 HA LEU 1 1.395 0.088 -2.061 3 HB2 LEU 1 HB2 LEU 1 2.597 1.997 -0.719 4 HB3 LEU 1 HB3 LEU 1 3.968 0.891 -0.784 5 HG LEU 1 HG LEU 1 3.735 0.900 -3.284 6 HD11 LEU 1 HD11 LEU 1 1.304 1.896 -2.955 7 HD12 LEU 1 HD12 LEU 1 2.268 2.243 -4.389 8 HD13 LEU 1 HD13 LEU 1 2.182 3.421 -3.079 9 HD21 LEU 1 HD21 LEU 1 4.239 3.679 -2.936 10 HD22 LEU 1 HD22 LEU 1 5.394 2.365 -3.161 11 HD23 LEU 1 HD23 LEU 1 4.873 2.814 -1.536 12 H THR 2 H THR 2 2.649 -1.229 -3.385 13 HA THR 2 HA THR 2 4.134 -3.365 -1.997 14 HB THR 2 HB THR 2 3.448 -4.872 -3.880 15 HG1 THR 2 HG1 THR 2 1.597 -4.147 -5.093 16 HG21 THR 2 HG21 THR 2 1.885 -3.948 -1.656 17 HG22 THR 2 HG22 THR 2 1.991 -5.569 -2.345 18 HG23 THR 2 HG23 THR 2 0.820 -4.414 -2.982 19 H CYS 3 H CYS 3 5.846 -4.377 -3.235 20 HA CYS 3 HA CYS 3 7.712 -2.684 -4.272 21 HB2 CYS 3 HB2 CYS 3 7.248 -5.588 -4.973 22 HB3 CYS 3 HB3 CYS 3 8.703 -4.694 -5.402 23 H GLY 4 H GLY 4 5.205 -4.420 -6.077 24 HA2 GLY 4 HA2 GLY 4 5.810 -4.037 -8.665 25 HA3 GLY 4 HA3 GLY 4 4.180 -3.783 -8.060 26 H GLN 5 H GLN 5 4.171 -1.510 -6.753 27 HA GLN 5 HA GLN 5 4.513 0.447 -8.810 28 HB2 GLN 5 HB2 GLN 5 3.823 0.956 -5.917 29 HB3 GLN 5 HB3 GLN 5 3.470 1.985 -7.298 30 HG2 GLN 5 HG2 GLN 5 2.269 -0.712 -6.719 31 HG3 GLN 5 HG3 GLN 5 1.473 0.853 -6.568 32 HE21 GLN 5 HE21 GLN 5 2.000 2.162 -8.786 33 HE22 GLN 5 HE22 GLN 5 1.453 1.311 -10.187 34 H VAL 6 H VAL 6 6.005 -0.098 -5.632 35 HA VAL 6 HA VAL 6 7.657 2.050 -5.397 36 HB VAL 6 HB VAL 6 8.412 -0.814 -4.798 37 HG11 VAL 6 HG11 VAL 6 9.526 1.704 -3.576 38 HG12 VAL 6 HG12 VAL 6 10.065 0.046 -3.305 39 HG13 VAL 6 HG13 VAL 6 10.314 0.810 -4.875 40 HG21 VAL 6 HG21 VAL 6 7.327 1.233 -2.882 41 HG22 VAL 6 HG22 VAL 6 6.286 0.118 -3.766 42 HG23 VAL 6 HG23 VAL 6 7.496 -0.506 -2.646 43 H THR 7 H THR 7 8.686 -1.009 -6.925 44 HA THR 7 HA THR 7 11.080 0.001 -7.982 45 HB THR 7 HB THR 7 9.698 -2.168 -9.474 46 HG1 THR 7 HG1 THR 7 10.492 -2.349 -6.745 47 HG21 THR 7 HG21 THR 7 12.465 -1.669 -8.399 48 HG22 THR 7 HG22 THR 7 11.947 -1.776 -10.081 49 HG23 THR 7 HG23 THR 7 11.979 -3.223 -9.074 50 H GLY 8 H GLY 8 7.808 -0.093 -9.276 51 HA2 GLY 8 HA2 GLY 8 8.416 0.588 -11.941 52 HA3 GLY 8 HA3 GLY 8 6.875 0.864 -11.142 53 H ALA 9 H ALA 9 8.151 2.535 -9.057 54 HA ALA 9 HA ALA 9 8.007 5.031 -10.490 55 HB1 ALA 9 HB1 ALA 9 7.013 5.399 -8.499 56 HB2 ALA 9 HB2 ALA 9 7.985 4.184 -7.667 57 HB3 ALA 9 HB3 ALA 9 8.658 5.782 -7.991 58 H LEU 10 H LEU 10 10.485 3.180 -8.781 59 HA LEU 10 HA LEU 10 12.507 5.191 -9.297 60 HB2 LEU 10 HB2 LEU 10 12.520 2.512 -7.943 61 HB3 LEU 10 HB3 LEU 10 14.012 3.386 -8.283 62 HG LEU 10 HG LEU 10 12.785 3.547 -5.943 63 HD11 LEU 10 HD11 LEU 10 13.960 5.980 -7.273 64 HD12 LEU 10 HD12 LEU 10 14.910 4.627 -6.660 65 HD13 LEU 10 HD13 LEU 10 13.945 5.600 -5.550 66 HD21 LEU 10 HD21 LEU 10 10.670 4.348 -6.721 67 HD22 LEU 10 HD22 LEU 10 11.438 5.650 -7.630 68 HD23 LEU 10 HD23 LEU 10 11.472 5.666 -5.866 69 H ALA 11 H ALA 11 11.053 3.025 -11.208 70 HA ALA 11 HA ALA 11 13.024 1.524 -12.452 71 HB1 ALA 11 HB1 ALA 11 11.420 2.080 -14.543 72 HB2 ALA 11 HB2 ALA 11 11.025 0.903 -13.289 73 HB3 ALA 11 HB3 ALA 11 10.362 2.536 -13.207 74 HA PRO 12 HA PRO 12 13.788 5.146 -15.551 75 HB2 PRO 12 HB2 PRO 12 12.656 7.546 -14.980 76 HB3 PRO 12 HB3 PRO 12 11.843 6.306 -15.942 77 HG2 PRO 12 HG2 PRO 12 11.508 6.978 -13.044 78 HG3 PRO 12 HG3 PRO 12 10.269 6.609 -14.257 79 HD2 PRO 12 HD2 PRO 12 11.129 4.783 -12.453 80 HD3 PRO 12 HD3 PRO 12 10.599 4.334 -14.087 81 H CYS 13 H CYS 13 14.127 5.069 -12.267 82 HA CYS 13 HA CYS 13 15.873 7.396 -12.066 83 HB2 CYS 13 HB2 CYS 13 15.005 5.364 -9.999 84 HB3 CYS 13 HB3 CYS 13 16.038 6.751 -9.667 85 H LEU 14 H LEU 14 16.023 3.909 -12.226 86 HA LEU 14 HA LEU 14 18.554 3.367 -11.304 87 HB2 LEU 14 HB2 LEU 14 16.981 2.192 -13.574 88 HB3 LEU 14 HB3 LEU 14 18.570 1.571 -13.130 89 HG LEU 14 HG LEU 14 16.053 1.539 -11.474 90 HD11 LEU 14 HD11 LEU 14 17.358 -0.327 -13.231 91 HD12 LEU 14 HD12 LEU 14 15.803 -0.455 -12.411 92 HD13 LEU 14 HD13 LEU 14 17.277 -0.968 -11.590 93 HD21 LEU 14 HD21 LEU 14 18.902 0.961 -10.699 94 HD22 LEU 14 HD22 LEU 14 17.520 0.317 -9.813 95 HD23 LEU 14 HD23 LEU 14 17.760 2.062 -9.927 96 H GLY 15 H GLY 15 17.641 5.136 -14.122 97 HA2 GLY 15 HA2 GLY 15 20.093 4.837 -15.558 98 HA3 GLY 15 HA3 GLY 15 18.856 6.049 -15.855 99 H TYR 16 H TYR 16 18.751 7.598 -13.739 100 HA TYR 16 HA TYR 16 21.020 9.216 -13.912 101 HB2 TYR 16 HB2 TYR 16 18.867 10.107 -13.222 102 HB3 TYR 16 HB3 TYR 16 18.888 9.117 -11.768 103 HD1 TYR 16 HD1 TYR 16 20.980 11.702 -13.478 104 HD2 TYR 16 HD2 TYR 16 19.564 10.108 -9.796 105 HE1 TYR 16 HE1 TYR 16 22.106 13.521 -12.265 106 HE2 TYR 16 HE2 TYR 16 20.685 11.924 -8.573 107 HH TYR 16 HH TYR 16 22.931 14.046 -10.086 108 H LEU 17 H LEU 17 20.154 6.703 -11.608 109 HA LEU 17 HA LEU 17 22.303 7.231 -9.805 110 HB2 LEU 17 HB2 LEU 17 20.919 4.586 -10.091 111 HB3 LEU 17 HB3 LEU 17 21.624 5.311 -8.647 112 HG LEU 17 HG LEU 17 19.267 6.615 -9.937 113 HD11 LEU 17 HD11 LEU 17 19.032 4.011 -9.475 114 HD12 LEU 17 HD12 LEU 17 17.726 5.148 -9.141 115 HD13 LEU 17 HD13 LEU 17 18.767 4.590 -7.831 116 HD21 LEU 17 HD21 LEU 17 20.781 6.825 -7.486 117 HD22 LEU 17 HD22 LEU 17 19.064 6.584 -7.163 118 HD23 LEU 17 HD23 LEU 17 19.591 7.931 -8.174 119 H ARG 18 H ARG 18 21.899 5.274 -12.667 120 HA ARG 18 HA ARG 18 24.580 4.134 -12.298 121 HB2 ARG 18 HB2 ARG 18 22.260 3.345 -14.052 122 HB3 ARG 18 HB3 ARG 18 23.874 2.685 -14.278 123 HG2 ARG 18 HG2 ARG 18 23.760 1.394 -12.420 124 HG3 ARG 18 HG3 ARG 18 22.736 2.540 -11.553 125 HD2 ARG 18 HD2 ARG 18 20.833 1.603 -12.306 126 HD3 ARG 18 HD3 ARG 18 21.496 1.313 -13.914 127 HE ARG 18 HE ARG 18 22.687 -0.446 -12.062 128 HH11 ARG 18 HH11 ARG 18 19.667 0.134 -13.695 129 HH12 ARG 18 HH12 ARG 18 19.180 -1.528 -13.662 130 HH21 ARG 18 HH21 ARG 18 22.057 -2.638 -12.013 131 HH22 ARG 18 HH22 ARG 18 20.540 -3.104 -12.705 132 H THR 19 H THR 19 23.566 6.884 -13.375 133 HA THR 19 HA THR 19 24.807 6.855 -16.019 134 HB THR 19 HB THR 19 23.161 8.880 -14.531 135 HG1 THR 19 HG1 THR 19 22.818 8.151 -17.220 136 HG21 THR 19 HG21 THR 19 25.117 9.357 -16.725 137 HG22 THR 19 HG22 THR 19 24.640 10.406 -15.390 138 HG23 THR 19 HG23 THR 19 23.575 10.210 -16.782 139 H ALA 20 H ALA 20 26.989 6.740 -15.727 140 HA ALA 20 HA ALA 20 28.445 8.071 -13.721 141 HB1 ALA 20 HB1 ALA 20 30.097 7.694 -16.002 142 HB2 ALA 20 HB2 ALA 20 30.043 6.753 -14.511 143 HB3 ALA 20 HB3 ALA 20 29.008 6.313 -15.870 144 H GLY 21 H GLY 21 29.273 10.077 -13.572 145 HA2 GLY 21 HA2 GLY 21 30.296 11.990 -14.728 146 HA3 GLY 21 HA3 GLY 21 29.039 11.823 -15.945 147 H SER 22 H SER 22 29.310 14.262 -14.977 148 HA SER 22 HA SER 22 27.557 14.652 -12.693 149 HB2 SER 22 HB2 SER 22 28.609 16.911 -14.357 150 HB3 SER 22 HB3 SER 22 28.332 16.840 -12.617 151 HG SER 22 HG SER 22 30.556 16.762 -13.115 152 H VAL 23 H VAL 23 25.491 15.332 -12.765 153 HA VAL 23 HA VAL 23 24.337 16.618 -15.041 154 HB VAL 23 HB VAL 23 22.592 14.786 -15.387 155 HG11 VAL 23 HG11 VAL 23 23.734 14.001 -17.215 156 HG12 VAL 23 HG12 VAL 23 24.692 15.431 -16.827 157 HG13 VAL 23 HG13 VAL 23 25.251 13.832 -16.334 158 HG21 VAL 23 HG21 VAL 23 23.812 13.569 -13.300 159 HG22 VAL 23 HG22 VAL 23 22.834 12.728 -14.503 160 HG23 VAL 23 HG23 VAL 23 24.591 12.755 -14.657 161 HA PRO 24 HA PRO 24 21.517 17.975 -11.958 162 HB2 PRO 24 HB2 PRO 24 19.362 18.598 -13.487 163 HB3 PRO 24 HB3 PRO 24 20.838 19.571 -13.465 164 HG2 PRO 24 HG2 PRO 24 19.957 17.510 -15.450 165 HG3 PRO 24 HG3 PRO 24 20.701 19.094 -15.737 166 HD2 PRO 24 HD2 PRO 24 22.110 16.784 -15.835 167 HD3 PRO 24 HD3 PRO 24 22.826 18.317 -15.296 168 H VAL 25 H VAL 25 19.799 17.291 -10.705 169 HA VAL 25 HA VAL 25 19.132 14.620 -10.630 170 HB VAL 25 HB VAL 25 17.919 17.068 -9.456 171 HG11 VAL 25 HG11 VAL 25 15.864 16.128 -9.849 172 HG12 VAL 25 HG12 VAL 25 16.490 14.478 -9.819 173 HG13 VAL 25 HG13 VAL 25 16.276 15.369 -8.312 174 HG21 VAL 25 HG21 VAL 25 19.840 15.825 -8.456 175 HG22 VAL 25 HG22 VAL 25 18.448 15.991 -7.385 176 HG23 VAL 25 HG23 VAL 25 18.754 14.458 -8.201 177 HA PRO 26 HA PRO 26 16.307 14.065 -13.983 178 HB2 PRO 26 HB2 PRO 26 15.301 11.664 -13.213 179 HB3 PRO 26 HB3 PRO 26 16.914 11.850 -13.913 180 HG2 PRO 26 HG2 PRO 26 16.114 11.586 -11.040 181 HG3 PRO 26 HG3 PRO 26 17.461 10.819 -11.901 182 HD2 PRO 26 HD2 PRO 26 17.793 12.990 -10.317 183 HD3 PRO 26 HD3 PRO 26 18.788 12.698 -11.758 184 H LEU 27 H LEU 27 14.466 15.173 -14.139 185 HA LEU 27 HA LEU 27 12.736 15.709 -11.977 186 HB2 LEU 27 HB2 LEU 27 12.878 17.218 -13.841 187 HB3 LEU 27 HB3 LEU 27 12.339 15.962 -14.953 188 HG LEU 27 HG LEU 27 10.162 15.985 -13.556 189 HD11 LEU 27 HD11 LEU 27 11.305 17.495 -11.820 190 HD12 LEU 27 HD12 LEU 27 9.654 17.880 -12.306 191 HD13 LEU 27 HD13 LEU 27 11.006 18.799 -12.969 192 HD21 LEU 27 HD21 LEU 27 9.201 17.472 -15.071 193 HD22 LEU 27 HD22 LEU 27 10.627 16.876 -15.921 194 HD23 LEU 27 HD23 LEU 27 10.653 18.469 -15.162 195 H THR 28 H THR 28 12.058 13.812 -14.925 196 HA THR 28 HA THR 28 9.648 12.731 -14.251 197 HB THR 28 HB THR 28 10.314 10.711 -15.609 198 HG1 THR 28 HG1 THR 28 12.743 12.153 -15.974 199 HG21 THR 28 HG21 THR 28 10.354 11.894 -17.683 200 HG22 THR 28 HG22 THR 28 11.033 13.330 -16.918 201 HG23 THR 28 HG23 THR 28 9.377 12.841 -16.563 202 H CYS 29 H CYS 29 12.822 11.722 -13.120 203 HA CYS 29 HA CYS 29 11.957 9.332 -11.848 204 HB2 CYS 29 HB2 CYS 29 14.268 9.486 -12.352 205 HB3 CYS 29 HB3 CYS 29 14.415 11.052 -11.562 206 H CYS 30 H CYS 30 12.573 12.624 -10.672 207 HA CYS 30 HA CYS 30 12.113 12.201 -7.964 208 HB2 CYS 30 HB2 CYS 30 11.426 14.668 -9.577 209 HB3 CYS 30 HB3 CYS 30 11.629 14.601 -7.829 210 H ASN 31 H ASN 31 9.856 12.553 -10.610 211 HA ASN 31 HA ASN 31 7.514 13.136 -9.242 212 HB2 ASN 31 HB2 ASN 31 8.165 11.772 -11.804 213 HB3 ASN 31 HB3 ASN 31 6.533 11.566 -11.176 214 HD21 ASN 31 HD21 ASN 31 5.261 13.459 -10.801 215 HD22 ASN 31 HD22 ASN 31 5.552 14.893 -11.720 216 H GLY 32 H GLY 32 9.064 10.002 -9.810 217 HA2 GLY 32 HA2 GLY 32 6.971 8.532 -8.487 218 HA3 GLY 32 HA3 GLY 32 8.511 7.890 -9.039 219 H VAL 33 H VAL 33 10.378 9.213 -7.683 220 HA VAL 33 HA VAL 33 10.422 8.022 -5.178 221 HB VAL 33 HB VAL 33 11.922 10.532 -5.929 222 HG11 VAL 33 HG11 VAL 33 13.615 9.636 -4.363 223 HG12 VAL 33 HG12 VAL 33 12.081 10.015 -3.577 224 HG13 VAL 33 HG13 VAL 33 12.497 8.340 -3.940 225 HG21 VAL 33 HG21 VAL 33 13.712 8.978 -6.673 226 HG22 VAL 33 HG22 VAL 33 12.577 7.641 -6.488 227 HG23 VAL 33 HG23 VAL 33 12.260 8.909 -7.673 228 H ARG 34 H ARG 34 9.507 11.327 -6.072 229 HA ARG 34 HA ARG 34 9.135 12.321 -3.475 230 HB2 ARG 34 HB2 ARG 34 9.229 13.925 -5.189 231 HB3 ARG 34 HB3 ARG 34 8.020 13.092 -6.156 232 HG2 ARG 34 HG2 ARG 34 6.261 13.895 -4.891 233 HG3 ARG 34 HG3 ARG 34 7.286 14.225 -3.493 234 HD2 ARG 34 HD2 ARG 34 7.584 15.701 -6.094 235 HD3 ARG 34 HD3 ARG 34 6.470 16.230 -4.833 236 HE ARG 34 HE ARG 34 9.060 15.830 -3.765 237 HH11 ARG 34 HH11 ARG 34 7.216 18.024 -5.742 238 HH12 ARG 34 HH12 ARG 34 8.180 19.405 -5.337 239 HH21 ARG 34 HH21 ARG 34 10.336 17.642 -3.223 240 HH22 ARG 34 HH22 ARG 34 9.955 19.187 -3.905 241 H GLY 35 H GLY 35 6.692 11.113 -5.785 242 HA2 GLY 35 HA2 GLY 35 4.508 11.237 -4.037 243 HA3 GLY 35 HA3 GLY 35 4.620 10.189 -5.444 244 H LEU 36 H LEU 36 7.137 9.025 -4.123 245 HA LEU 36 HA LEU 36 5.799 6.827 -2.880 246 HB2 LEU 36 HB2 LEU 36 8.622 7.543 -3.497 247 HB3 LEU 36 HB3 LEU 36 8.316 6.272 -2.315 248 HG LEU 36 HG LEU 36 7.175 6.204 -5.099 249 HD11 LEU 36 HD11 LEU 36 9.479 6.244 -5.516 250 HD12 LEU 36 HD12 LEU 36 9.059 4.531 -5.489 251 HD13 LEU 36 HD13 LEU 36 9.843 5.268 -4.092 252 HD21 LEU 36 HD21 LEU 36 7.728 3.982 -3.141 253 HD22 LEU 36 HD22 LEU 36 6.832 3.884 -4.657 254 HD23 LEU 36 HD23 LEU 36 6.168 4.791 -3.297 255 H ASN 37 H ASN 37 8.159 9.215 -1.677 256 HA ASN 37 HA ASN 37 8.138 8.445 0.994 257 HB2 ASN 37 HB2 ASN 37 9.819 9.952 0.612 258 HB3 ASN 37 HB3 ASN 37 8.841 10.930 -0.477 259 HD21 ASN 37 HD21 ASN 37 9.591 10.233 2.857 260 HD22 ASN 37 HD22 ASN 37 8.936 11.691 3.513 261 H ASN 38 H ASN 38 5.837 10.314 -0.828 262 HA ASN 38 HA ASN 38 4.413 11.156 1.568 263 HB2 ASN 38 HB2 ASN 38 4.628 12.745 -0.292 264 HB3 ASN 38 HB3 ASN 38 3.789 11.621 -1.357 265 HD21 ASN 38 HD21 ASN 38 3.015 14.290 -0.779 266 HD22 ASN 38 HD22 ASN 38 1.470 14.228 -0.007 267 H ALA 39 H ALA 39 4.008 8.983 -1.183 268 HA ALA 39 HA ALA 39 1.360 8.186 -0.608 269 HB1 ALA 39 HB1 ALA 39 1.870 6.246 -2.075 270 HB2 ALA 39 HB2 ALA 39 2.276 7.806 -2.793 271 HB3 ALA 39 HB3 ALA 39 3.549 6.782 -2.130 272 H ALA 40 H ALA 40 4.331 7.467 0.902 273 HA ALA 40 HA ALA 40 3.268 5.031 2.141 274 HB1 ALA 40 HB1 ALA 40 6.029 6.035 2.653 275 HB2 ALA 40 HB2 ALA 40 5.425 4.379 2.598 276 HB3 ALA 40 HB3 ALA 40 5.653 5.284 1.102 277 H ARG 41 H ARG 41 2.516 7.908 2.743 278 HA ARG 41 HA ARG 41 3.401 9.045 4.981 279 HB2 ARG 41 HB2 ARG 41 1.466 10.017 4.158 280 HB3 ARG 41 HB3 ARG 41 0.603 8.486 4.088 281 HG2 ARG 41 HG2 ARG 41 0.258 8.483 6.442 282 HG3 ARG 41 HG3 ARG 41 1.345 9.856 6.660 283 HD2 ARG 41 HD2 ARG 41 -0.349 11.005 4.990 284 HD3 ARG 41 HD3 ARG 41 -1.443 9.775 5.623 285 HE ARG 41 HE ARG 41 -1.521 10.914 7.607 286 HH11 ARG 41 HH11 ARG 41 1.168 12.077 5.726 287 HH12 ARG 41 HH12 ARG 41 1.517 13.393 6.798 288 HH21 ARG 41 HH21 ARG 41 -1.071 12.642 9.026 289 HH22 ARG 41 HH22 ARG 41 0.243 13.713 8.675 290 H THR 42 H THR 42 1.768 5.943 4.856 291 HA THR 42 HA THR 42 1.629 5.674 7.724 292 HB THR 42 HB THR 42 0.445 3.736 7.391 293 HG1 THR 42 HG1 THR 42 1.166 2.193 6.123 294 HG21 THR 42 HG21 THR 42 -0.051 4.526 4.587 295 HG22 THR 42 HG22 THR 42 -0.280 5.785 5.801 296 HG23 THR 42 HG23 THR 42 -1.186 4.276 5.913 297 H THR 43 H THR 43 2.944 4.492 9.040 298 HA THR 43 HA THR 43 5.634 4.221 8.455 299 HB THR 43 HB THR 43 4.046 2.640 10.488 300 HG1 THR 43 HG1 THR 43 3.836 4.702 11.117 301 HG21 THR 43 HG21 THR 43 6.248 1.652 10.053 302 HG22 THR 43 HG22 THR 43 6.180 2.381 11.657 303 HG23 THR 43 HG23 THR 43 7.008 3.216 10.343 304 H ILE 44 H ILE 44 3.067 1.786 8.262 305 HA ILE 44 HA ILE 44 4.632 -0.442 7.678 306 HB ILE 44 HB ILE 44 1.809 0.278 6.950 307 HG12 ILE 44 HG12 ILE 44 1.198 -1.155 8.675 308 HG13 ILE 44 HG13 ILE 44 2.693 -2.079 8.574 309 HG21 ILE 44 HG21 ILE 44 3.299 -2.230 6.195 310 HG22 ILE 44 HG22 ILE 44 1.544 -2.068 6.156 311 HG23 ILE 44 HG23 ILE 44 2.546 -1.064 5.107 312 HD11 ILE 44 HD11 ILE 44 3.908 -0.220 9.581 313 HD12 ILE 44 HD12 ILE 44 2.407 0.702 9.684 314 HD13 ILE 44 HD13 ILE 44 2.597 -0.781 10.619 315 H ASP 45 H ASP 45 3.002 1.763 5.399 316 HA ASP 45 HA ASP 45 3.989 0.602 3.052 317 HB2 ASP 45 HB2 ASP 45 2.946 3.334 3.732 318 HB3 ASP 45 HB3 ASP 45 3.603 3.009 2.130 319 H ARG 46 H ARG 46 5.426 2.859 5.289 320 HA ARG 46 HA ARG 46 7.524 3.759 3.605 321 HB2 ARG 46 HB2 ARG 46 7.062 3.769 6.570 322 HB3 ARG 46 HB3 ARG 46 8.615 4.265 5.912 323 HG2 ARG 46 HG2 ARG 46 6.986 5.752 4.386 324 HG3 ARG 46 HG3 ARG 46 6.005 5.628 5.847 325 HD2 ARG 46 HD2 ARG 46 8.878 6.273 6.188 326 HD3 ARG 46 HD3 ARG 46 7.847 7.527 5.499 327 HE ARG 46 HE ARG 46 6.721 6.379 7.857 328 HH11 ARG 46 HH11 ARG 46 9.053 8.687 6.693 329 HH12 ARG 46 HH12 ARG 46 8.992 9.665 8.121 330 HH21 ARG 46 HH21 ARG 46 6.632 7.658 9.743 331 HH22 ARG 46 HH22 ARG 46 7.616 9.079 9.856 332 H ARG 47 H ARG 47 7.322 1.201 6.057 333 HA ARG 47 HA ARG 47 10.033 0.371 5.734 334 HB2 ARG 47 HB2 ARG 47 9.271 -1.646 7.033 335 HB3 ARG 47 HB3 ARG 47 8.982 -0.101 7.820 336 HG2 ARG 47 HG2 ARG 47 6.662 -0.177 7.292 337 HG3 ARG 47 HG3 ARG 47 6.891 -1.578 6.244 338 HD2 ARG 47 HD2 ARG 47 7.722 -1.776 9.096 339 HD3 ARG 47 HD3 ARG 47 6.002 -1.835 8.714 340 HE ARG 47 HE ARG 47 7.612 -3.626 7.140 341 HH11 ARG 47 HH11 ARG 47 5.840 -3.211 10.107 342 HH12 ARG 47 HH12 ARG 47 5.585 -4.909 10.344 343 HH21 ARG 47 HH21 ARG 47 7.283 -5.863 7.441 344 HH22 ARG 47 HH22 ARG 47 6.407 -6.416 8.828 345 H THR 48 H THR 48 6.937 -0.684 4.419 346 HA THR 48 HA THR 48 7.773 -3.052 3.191 347 HB THR 48 HB THR 48 5.584 -1.118 2.425 348 HG1 THR 48 HG1 THR 48 5.254 -3.725 3.460 349 HG21 THR 48 HG21 THR 48 5.621 -2.167 0.428 350 HG22 THR 48 HG22 THR 48 4.856 -3.489 1.311 351 HG23 THR 48 HG23 THR 48 6.597 -3.503 1.036 352 H ALA 49 H ALA 49 7.309 0.140 1.655 353 HA ALA 49 HA ALA 49 8.553 -0.593 -0.775 354 HB1 ALA 49 HB1 ALA 49 8.649 1.905 -1.148 355 HB2 ALA 49 HB2 ALA 49 7.051 1.230 -0.830 356 HB3 ALA 49 HB3 ALA 49 7.919 2.081 0.448 357 H CYS 50 H CYS 50 9.751 0.875 2.190 358 HA CYS 50 HA CYS 50 12.262 1.708 1.272 359 HB2 CYS 50 HB2 CYS 50 11.610 2.510 3.387 360 HB3 CYS 50 HB3 CYS 50 11.232 0.896 3.979 361 H ASN 51 H ASN 51 11.560 -1.217 3.195 362 HA ASN 51 HA ASN 51 13.999 -2.454 2.991 363 HB2 ASN 51 HB2 ASN 51 11.207 -3.445 3.320 364 HB3 ASN 51 HB3 ASN 51 12.460 -4.631 2.969 365 HD21 ASN 51 HD21 ASN 51 14.124 -4.957 4.458 366 HD22 ASN 51 HD22 ASN 51 13.985 -4.445 6.102 367 H CYS 52 H CYS 52 11.221 -3.029 0.826 368 HA CYS 52 HA CYS 52 12.305 -4.767 -0.962 369 HB2 CYS 52 HB2 CYS 52 9.972 -3.770 -0.981 370 HB3 CYS 52 HB3 CYS 52 10.657 -2.392 -1.836 371 H LEU 53 H LEU 53 12.382 -1.228 -1.426 372 HA LEU 53 HA LEU 53 14.199 -1.300 -3.576 373 HB2 LEU 53 HB2 LEU 53 13.136 0.782 -1.751 374 HB3 LEU 53 HB3 LEU 53 14.601 1.165 -2.653 375 HG LEU 53 HG LEU 53 12.019 0.277 -3.932 376 HD11 LEU 53 HD11 LEU 53 13.116 3.068 -3.619 377 HD12 LEU 53 HD12 LEU 53 11.722 2.410 -2.762 378 HD13 LEU 53 HD13 LEU 53 11.667 2.607 -4.514 379 HD21 LEU 53 HD21 LEU 53 13.774 1.844 -5.566 380 HD22 LEU 53 HD22 LEU 53 13.168 0.208 -5.828 381 HD23 LEU 53 HD23 LEU 53 14.649 0.463 -4.904 382 H LYS 54 H LYS 54 14.640 -1.362 -0.134 383 HA LYS 54 HA LYS 54 17.299 -0.488 0.036 384 HB2 LYS 54 HB2 LYS 54 15.485 -1.147 1.870 385 HB3 LYS 54 HB3 LYS 54 16.361 -2.672 1.833 386 HG2 LYS 54 HG2 LYS 54 17.536 -1.627 3.462 387 HG3 LYS 54 HG3 LYS 54 18.445 -1.050 2.063 388 HD2 LYS 54 HD2 LYS 54 16.139 0.456 3.287 389 HD3 LYS 54 HD3 LYS 54 17.825 0.715 3.743 390 HE2 LYS 54 HE2 LYS 54 17.578 2.332 2.140 391 HE3 LYS 54 HE3 LYS 54 18.142 0.988 1.147 392 HZ1 LYS 54 HZ1 LYS 54 15.650 2.369 1.067 393 HZ2 LYS 54 HZ2 LYS 54 15.421 0.702 1.232 394 HZ3 LYS 54 HZ3 LYS 54 16.325 1.307 -0.063 395 H GLN 55 H GLN 55 15.917 -3.575 -0.857 396 HA GLN 55 HA GLN 55 18.389 -5.018 -0.727 397 HB2 GLN 55 HB2 GLN 55 16.643 -6.486 -0.520 398 HB3 GLN 55 HB3 GLN 55 15.615 -5.589 -1.630 399 HG2 GLN 55 HG2 GLN 55 16.605 -6.543 -3.511 400 HG3 GLN 55 HG3 GLN 55 18.017 -7.084 -2.605 401 HE21 GLN 55 HE21 GLN 55 14.573 -7.422 -1.884 402 HE22 GLN 55 HE22 GLN 55 14.568 -9.149 -1.854 403 H THR 56 H THR 56 16.592 -3.308 -3.210 404 HA THR 56 HA THR 56 18.179 -4.230 -5.397 405 HB THR 56 HB THR 56 16.332 -1.848 -5.164 406 HG1 THR 56 HG1 THR 56 15.668 -4.270 -5.169 407 HG21 THR 56 HG21 THR 56 17.937 -2.913 -7.459 408 HG22 THR 56 HG22 THR 56 17.692 -1.243 -6.949 409 HG23 THR 56 HG23 THR 56 16.388 -2.122 -7.746 410 H ALA 57 H ALA 57 17.955 -1.032 -3.825 411 HA ALA 57 HA ALA 57 20.010 0.257 -5.094 412 HB1 ALA 57 HB1 ALA 57 18.561 1.395 -3.535 413 HB2 ALA 57 HB2 ALA 57 19.230 0.472 -2.189 414 HB3 ALA 57 HB3 ALA 57 20.242 1.628 -3.053 415 H ASN 58 H ASN 58 20.267 -1.799 -2.202 416 HA ASN 58 HA ASN 58 23.104 -1.538 -2.020 417 HB2 ASN 58 HB2 ASN 58 20.975 -2.939 -0.570 418 HB3 ASN 58 HB3 ASN 58 22.489 -3.836 -0.633 419 HD21 ASN 58 HD21 ASN 58 20.790 -1.262 0.781 420 HD22 ASN 58 HD22 ASN 58 22.067 -0.650 1.771 421 H ALA 59 H ALA 59 20.965 -3.548 -3.819 422 HA ALA 59 HA ALA 59 22.886 -5.642 -4.310 423 HB1 ALA 59 HB1 ALA 59 20.778 -6.517 -4.435 424 HB2 ALA 59 HB2 ALA 59 20.099 -5.068 -5.176 425 HB3 ALA 59 HB3 ALA 59 21.070 -6.179 -6.142 426 H ILE 60 H ILE 60 21.942 -2.646 -5.790 427 HA ILE 60 HA ILE 60 23.007 -3.156 -8.377 428 HB ILE 60 HB ILE 60 22.419 -0.560 -6.955 429 HG12 ILE 60 HG12 ILE 60 20.926 -2.306 -8.891 430 HG13 ILE 60 HG13 ILE 60 20.373 -1.623 -7.366 431 HG21 ILE 60 HG21 ILE 60 24.191 -0.340 -8.693 432 HG22 ILE 60 HG22 ILE 60 23.033 -0.940 -9.880 433 HG23 ILE 60 HG23 ILE 60 22.727 0.579 -9.039 434 HD11 ILE 60 HD11 ILE 60 20.915 -0.048 -9.871 435 HD12 ILE 60 HD12 ILE 60 19.325 -0.570 -9.312 436 HD13 ILE 60 HD13 ILE 60 20.264 0.576 -8.355 437 H ALA 61 H ALA 61 25.086 -3.637 -8.666 438 HA ALA 61 HA ALA 61 27.174 -2.822 -6.927 439 HB1 ALA 61 HB1 ALA 61 27.364 -4.866 -8.195 440 HB2 ALA 61 HB2 ALA 61 27.285 -3.970 -9.713 441 HB3 ALA 61 HB3 ALA 61 28.674 -3.773 -8.644 442 H ASP 62 H ASP 62 25.595 -1.281 -9.533 443 HA ASP 62 HA ASP 62 27.799 0.645 -9.833 444 HB2 ASP 62 HB2 ASP 62 26.877 -0.532 -11.886 445 HB3 ASP 62 HB3 ASP 62 25.391 0.380 -11.633 446 H LEU 63 H LEU 63 25.787 0.503 -7.637 447 HA LEU 63 HA LEU 63 23.970 2.677 -8.005 448 HB2 LEU 63 HB2 LEU 63 23.228 1.174 -6.426 449 HB3 LEU 63 HB3 LEU 63 24.827 0.973 -5.714 450 HG LEU 63 HG LEU 63 24.473 3.440 -4.928 451 HD11 LEU 63 HD11 LEU 63 22.007 3.733 -4.355 452 HD12 LEU 63 HD12 LEU 63 21.695 2.525 -5.601 453 HD13 LEU 63 HD13 LEU 63 22.492 4.041 -6.022 454 HD21 LEU 63 HD21 LEU 63 24.423 1.096 -3.680 455 HD22 LEU 63 HD22 LEU 63 22.732 1.545 -3.452 456 HD23 LEU 63 HD23 LEU 63 24.014 2.605 -2.863 457 H ASN 64 H ASN 64 24.829 4.633 -8.399 458 HA ASN 64 HA ASN 64 27.264 5.547 -7.225 459 HB2 ASN 64 HB2 ASN 64 26.017 6.258 -9.454 460 HB3 ASN 64 HB3 ASN 64 25.290 7.461 -8.391 461 HD21 ASN 64 HD21 ASN 64 27.062 7.890 -10.615 462 HD22 ASN 64 HD22 ASN 64 28.460 8.690 -9.992 463 H LEU 65 H LEU 65 27.052 5.474 -4.995 464 HA LEU 65 HA LEU 65 25.036 6.211 -3.355 465 HB2 LEU 65 HB2 LEU 65 27.894 7.045 -2.898 466 HB3 LEU 65 HB3 LEU 65 26.661 6.761 -1.671 467 HG LEU 65 HG LEU 65 28.267 4.798 -3.243 468 HD11 LEU 65 HD11 LEU 65 28.991 5.392 -1.009 469 HD12 LEU 65 HD12 LEU 65 28.421 3.724 -1.039 470 HD13 LEU 65 HD13 LEU 65 27.400 4.993 -0.362 471 HD21 LEU 65 HD21 LEU 65 26.559 3.094 -2.246 472 HD22 LEU 65 HD22 LEU 65 26.236 3.868 -3.798 473 HD23 LEU 65 HD23 LEU 65 25.444 4.458 -2.336 474 H ASN 66 H ASN 66 27.366 8.443 -4.839 475 HA ASN 66 HA ASN 66 26.483 10.806 -3.671 476 HB2 ASN 66 HB2 ASN 66 27.549 10.457 -6.482 477 HB3 ASN 66 HB3 ASN 66 27.530 11.955 -5.555 478 HD21 ASN 66 HD21 ASN 66 28.517 11.511 -3.230 479 HD22 ASN 66 HD22 ASN 66 30.080 10.776 -3.276 480 H ALA 67 H ALA 67 25.445 9.310 -6.727 481 HA ALA 67 HA ALA 67 23.473 11.280 -7.294 482 HB1 ALA 67 HB1 ALA 67 23.359 8.492 -8.378 483 HB2 ALA 67 HB2 ALA 67 22.933 10.014 -9.161 484 HB3 ALA 67 HB3 ALA 67 24.627 9.606 -8.891 485 H ALA 68 H ALA 68 23.162 7.887 -6.225 486 HA ALA 68 HA ALA 68 20.400 7.950 -5.779 487 HB1 ALA 68 HB1 ALA 68 21.620 5.865 -5.947 488 HB2 ALA 68 HB2 ALA 68 22.499 6.232 -4.462 489 HB3 ALA 68 HB3 ALA 68 20.761 5.939 -4.408 490 H ALA 69 H ALA 69 22.890 9.477 -4.082 491 HA ALA 69 HA ALA 69 21.496 9.518 -1.530 492 HB1 ALA 69 HB1 ALA 69 24.110 10.687 -2.452 493 HB2 ALA 69 HB2 ALA 69 23.433 10.982 -0.850 494 HB3 ALA 69 HB3 ALA 69 23.849 9.341 -1.343 495 H GLY 70 H GLY 70 22.489 11.837 -4.042 496 HA2 GLY 70 HA2 GLY 70 21.067 14.006 -2.782 497 HA3 GLY 70 HA3 GLY 70 21.882 14.055 -4.338 498 H LEU 71 H LEU 71 20.517 11.856 -5.529 499 HA LEU 71 HA LEU 71 18.421 13.063 -6.797 500 HB2 LEU 71 HB2 LEU 71 19.006 11.133 -7.841 501 HB3 LEU 71 HB3 LEU 71 19.210 10.250 -6.329 502 HG LEU 71 HG LEU 71 16.600 10.380 -6.238 503 HD11 LEU 71 HD11 LEU 71 16.756 10.242 -9.189 504 HD12 LEU 71 HD12 LEU 71 16.841 11.842 -8.453 505 HD13 LEU 71 HD13 LEU 71 15.451 10.802 -8.143 506 HD21 LEU 71 HD21 LEU 71 16.552 8.207 -6.951 507 HD22 LEU 71 HD22 LEU 71 18.286 8.412 -6.701 508 HD23 LEU 71 HD23 LEU 71 17.610 8.516 -8.328 509 HA PRO 72 HA PRO 72 15.164 11.140 -3.828 510 HB2 PRO 72 HB2 PRO 72 16.056 9.709 -1.701 511 HB3 PRO 72 HB3 PRO 72 15.745 8.985 -3.283 512 HG2 PRO 72 HG2 PRO 72 18.343 9.853 -2.074 513 HG3 PRO 72 HG3 PRO 72 17.972 8.381 -2.992 514 HD2 PRO 72 HD2 PRO 72 19.206 10.519 -4.105 515 HD3 PRO 72 HD3 PRO 72 18.117 9.460 -5.023 516 H ALA 73 H ALA 73 18.176 12.052 -2.194 517 HA ALA 73 HA ALA 73 17.074 13.147 0.127 518 HB1 ALA 73 HB1 ALA 73 19.417 12.741 0.031 519 HB2 ALA 73 HB2 ALA 73 19.610 13.821 -1.351 520 HB3 ALA 73 HB3 ALA 73 19.195 14.480 0.232 521 H LYS 74 H LYS 74 16.807 14.206 -3.068 522 HA LYS 74 HA LYS 74 15.845 16.832 -2.148 523 HB2 LYS 74 HB2 LYS 74 17.624 16.167 -4.466 524 HB3 LYS 74 HB3 LYS 74 16.550 17.556 -4.565 525 HG2 LYS 74 HG2 LYS 74 17.641 18.680 -2.846 526 HG3 LYS 74 HG3 LYS 74 18.405 17.208 -2.242 527 HD2 LYS 74 HD2 LYS 74 19.949 18.756 -3.457 528 HD3 LYS 74 HD3 LYS 74 19.882 17.121 -4.121 529 HE2 LYS 74 HE2 LYS 74 19.849 18.790 -5.898 530 HE3 LYS 74 HE3 LYS 74 18.336 17.886 -5.852 531 HZ1 LYS 74 HZ1 LYS 74 18.453 20.370 -4.325 532 HZ2 LYS 74 HZ2 LYS 74 17.168 19.692 -5.190 533 HZ3 LYS 74 HZ3 LYS 74 18.402 20.507 -6.011 534 H CYS 75 H CYS 75 15.829 14.897 -5.148 535 HA CYS 75 HA CYS 75 13.780 15.522 -6.556 536 HB2 CYS 75 HB2 CYS 75 14.452 12.830 -5.483 537 HB3 CYS 75 HB3 CYS 75 12.920 12.998 -6.335 538 H GLY 76 H GLY 76 13.175 13.873 -3.451 539 HA2 GLY 76 HA2 GLY 76 10.846 15.511 -2.986 540 HA3 GLY 76 HA3 GLY 76 10.465 13.834 -3.347 541 H VAL 77 H VAL 77 12.980 12.928 -2.035 542 HA VAL 77 HA VAL 77 11.895 12.713 0.629 543 HB VAL 77 HB VAL 77 14.568 11.661 -0.271 544 HG11 VAL 77 HG11 VAL 77 14.565 11.063 1.889 545 HG12 VAL 77 HG12 VAL 77 12.830 11.333 2.061 546 HG13 VAL 77 HG13 VAL 77 13.424 9.817 1.384 547 HG21 VAL 77 HG21 VAL 77 13.295 10.702 -1.919 548 HG22 VAL 77 HG22 VAL 77 13.092 9.513 -0.632 549 HG23 VAL 77 HG23 VAL 77 11.828 10.704 -0.940 550 H ASN 78 H ASN 78 12.907 15.333 -0.345 551 HA ASN 78 HA ASN 78 15.144 16.431 0.304 552 HB2 ASN 78 HB2 ASN 78 13.884 18.111 1.861 553 HB3 ASN 78 HB3 ASN 78 13.427 17.990 0.164 554 HD21 ASN 78 HD21 ASN 78 11.453 17.160 -0.387 555 HD22 ASN 78 HD22 ASN 78 10.214 16.821 0.769 556 H ILE 79 H ILE 79 13.086 15.089 2.870 557 HA ILE 79 HA ILE 79 14.183 15.579 5.185 558 HB ILE 79 HB ILE 79 13.863 12.739 4.207 559 HG12 ILE 79 HG12 ILE 79 11.817 13.911 5.955 560 HG13 ILE 79 HG13 ILE 79 11.943 14.698 4.386 561 HG21 ILE 79 HG21 ILE 79 15.197 13.177 6.358 562 HG22 ILE 79 HG22 ILE 79 13.648 13.648 7.055 563 HG23 ILE 79 HG23 ILE 79 13.870 12.017 6.424 564 HD11 ILE 79 HD11 ILE 79 10.292 12.789 4.602 565 HD12 ILE 79 HD12 ILE 79 11.409 12.729 3.239 566 HD13 ILE 79 HD13 ILE 79 11.697 11.724 4.659 567 HA PRO 80 HA PRO 80 18.565 15.106 5.030 568 HB2 PRO 80 HB2 PRO 80 19.046 15.030 7.701 569 HB3 PRO 80 HB3 PRO 80 18.622 16.516 6.844 570 HG2 PRO 80 HG2 PRO 80 16.880 14.705 8.471 571 HG3 PRO 80 HG3 PRO 80 16.937 16.478 8.446 572 HD2 PRO 80 HD2 PRO 80 15.043 15.062 7.126 573 HD3 PRO 80 HD3 PRO 80 15.661 16.617 6.532 574 H TYR 81 H TYR 81 18.542 12.973 4.102 575 HA TYR 81 HA TYR 81 19.585 10.983 5.908 576 HB2 TYR 81 HB2 TYR 81 16.849 10.791 4.781 577 HB3 TYR 81 HB3 TYR 81 17.827 9.330 4.710 578 HD1 TYR 81 HD2 TYR 81 18.949 8.591 6.936 579 HD2 TYR 81 HD1 TYR 81 15.670 11.294 6.720 580 HE1 TYR 81 HE2 TYR 81 18.401 8.105 9.284 581 HE2 TYR 81 HE1 TYR 81 15.113 10.816 9.067 582 HH TYR 81 HH TYR 81 16.331 8.213 10.751 583 H LYS 82 H LYS 82 20.468 9.120 4.773 584 HA LYS 82 HA LYS 82 21.126 9.760 1.973 585 HB2 LYS 82 HB2 LYS 82 22.857 9.474 4.097 586 HB3 LYS 82 HB3 LYS 82 22.912 7.887 3.343 587 HG2 LYS 82 HG2 LYS 82 24.625 9.051 2.301 588 HG3 LYS 82 HG3 LYS 82 23.292 9.163 1.149 589 HD2 LYS 82 HD2 LYS 82 23.665 11.306 3.199 590 HD3 LYS 82 HD3 LYS 82 24.683 11.288 1.757 591 HE2 LYS 82 HE2 LYS 82 22.193 10.896 0.704 592 HE3 LYS 82 HE3 LYS 82 21.850 11.968 2.061 593 HZ1 LYS 82 HZ1 LYS 82 22.414 13.023 -0.169 594 HZ2 LYS 82 HZ2 LYS 82 24.013 12.566 0.140 595 HZ3 LYS 82 HZ3 LYS 82 23.217 13.622 1.195 596 H ILE 83 H ILE 83 22.068 7.583 0.923 597 HA ILE 83 HA ILE 83 20.033 5.501 1.392 598 HB ILE 83 HB ILE 83 19.847 5.069 -0.896 599 HG12 ILE 83 HG12 ILE 83 22.086 4.932 -1.632 600 HG13 ILE 83 HG13 ILE 83 21.392 6.255 -2.562 601 HG21 ILE 83 HG21 ILE 83 19.040 7.063 -1.798 602 HG22 ILE 83 HG22 ILE 83 18.951 7.321 -0.056 603 HG23 ILE 83 HG23 ILE 83 20.267 8.035 -0.987 604 HD11 ILE 83 HD11 ILE 83 23.571 6.891 -1.839 605 HD12 ILE 83 HD12 ILE 83 22.392 7.837 -0.929 606 HD13 ILE 83 HD13 ILE 83 23.198 6.465 -0.169 607 H SER 84 H SER 84 22.878 5.890 2.371 608 HA SER 84 HA SER 84 24.796 4.352 1.292 609 HB2 SER 84 HB2 SER 84 25.583 5.030 3.302 610 HB3 SER 84 HB3 SER 84 23.991 4.952 4.056 611 HG SER 84 HG SER 84 25.243 3.381 4.994 612 HA PRO 85 HA PRO 85 23.520 0.177 0.867 613 HB2 PRO 85 HB2 PRO 85 25.795 -1.173 1.474 614 HB3 PRO 85 HB3 PRO 85 25.593 -0.256 -0.024 615 HG2 PRO 85 HG2 PRO 85 26.988 0.531 2.505 616 HG3 PRO 85 HG3 PRO 85 27.500 0.768 0.824 617 HD2 PRO 85 HD2 PRO 85 26.377 2.743 2.298 618 HD3 PRO 85 HD3 PRO 85 26.151 2.615 0.542 619 H SER 86 H SER 86 24.013 1.521 3.819 620 HA SER 86 HA SER 86 23.486 -0.999 5.252 621 HB2 SER 86 HB2 SER 86 25.566 0.448 5.823 622 HB3 SER 86 HB3 SER 86 24.409 1.524 6.605 623 HG SER 86 HG SER 86 25.430 -0.792 7.499 624 H THR 87 H THR 87 21.972 1.637 4.034 625 HA THR 87 HA THR 87 20.373 2.778 5.907 626 HB THR 87 HB THR 87 18.508 2.645 4.095 627 HG1 THR 87 HG1 THR 87 19.875 0.826 3.086 628 HG21 THR 87 HG21 THR 87 21.065 3.913 3.165 629 HG22 THR 87 HG22 THR 87 20.215 4.515 4.588 630 HG23 THR 87 HG23 THR 87 19.413 4.510 3.018 631 H ASP 88 H ASP 88 18.787 2.187 7.257 632 HA ASP 88 HA ASP 88 17.544 -0.454 6.892 633 HB2 ASP 88 HB2 ASP 88 19.386 -0.346 8.692 634 HB3 ASP 88 HB3 ASP 88 18.238 0.617 9.619 635 H CYS 89 H CYS 89 15.412 -0.308 6.780 636 HA CYS 89 HA CYS 89 13.951 2.030 7.033 637 HB2 CYS 89 HB2 CYS 89 12.792 -0.713 7.517 638 HB3 CYS 89 HB3 CYS 89 11.988 0.696 6.832 639 H ASN 90 H ASN 90 15.186 0.018 9.486 640 HA ASN 90 HA ASN 90 13.288 0.387 11.522 641 HB2 ASN 90 HB2 ASN 90 15.456 -1.120 11.376 642 HB3 ASN 90 HB3 ASN 90 16.201 0.257 12.183 643 HD21 ASN 90 HD21 ASN 90 14.112 -2.440 12.490 644 HD22 ASN 90 HD22 ASN 90 13.795 -2.285 14.181 645 H ARG 91 H ARG 91 15.669 2.505 10.185 646 HA ARG 91 HA ARG 91 15.647 4.330 12.429 647 HB2 ARG 91 HB2 ARG 91 16.946 4.345 9.717 648 HB3 ARG 91 HB3 ARG 91 16.936 5.787 10.725 649 HG2 ARG 91 HG2 ARG 91 17.967 3.154 11.726 650 HG3 ARG 91 HG3 ARG 91 18.985 4.292 10.843 651 HD2 ARG 91 HD2 ARG 91 19.410 4.944 12.997 652 HD3 ARG 91 HD3 ARG 91 18.051 5.997 12.608 653 HE ARG 91 HE ARG 91 16.946 3.722 13.692 654 HH11 ARG 91 HH11 ARG 91 19.202 6.170 14.712 655 HH12 ARG 91 HH12 ARG 91 18.781 6.044 16.388 656 HH21 ARG 91 HH21 ARG 91 16.384 3.547 15.896 657 HH22 ARG 91 HH22 ARG 91 17.178 4.551 17.060 658 H VAL 92 H VAL 92 14.852 4.759 8.974 659 HA VAL 92 HA VAL 92 13.166 7.021 9.587 660 HB VAL 92 HB VAL 92 13.945 5.645 7.031 661 HG11 VAL 92 HG11 VAL 92 11.693 7.539 7.509 662 HG12 VAL 92 HG12 VAL 92 12.615 7.660 6.010 663 HG13 VAL 92 HG13 VAL 92 11.790 6.156 6.420 664 HG21 VAL 92 HG21 VAL 92 14.838 7.897 6.510 665 HG22 VAL 92 HG22 VAL 92 14.342 8.433 8.115 666 HG23 VAL 92 HG23 VAL 92 15.568 7.177 7.945 667 H VAL 93 H VAL 93 11.422 6.276 10.758 668 HA VAL 93 HA VAL 93 9.893 3.992 10.065 669 HB VAL 93 HB VAL 93 8.147 5.033 11.577 670 HG11 VAL 93 HG11 VAL 93 10.859 4.156 12.260 671 HG12 VAL 93 HG12 VAL 93 10.030 5.042 13.542 672 HG13 VAL 93 HG13 VAL 93 9.298 3.592 12.855 673 HG21 VAL 93 HG21 VAL 93 9.328 7.376 11.040 674 HG22 VAL 93 HG22 VAL 93 8.405 7.081 12.514 675 HG23 VAL 93 HG23 VAL 93 10.165 6.969 12.538 Start of MODEL 2 1 H1 LEU 1 H LEU 1 3.986 0.608 0.022 2 HA LEU 1 HA LEU 1 2.197 0.717 -2.248 3 HB2 LEU 1 HB2 LEU 1 5.018 1.755 -2.474 4 HB3 LEU 1 HB3 LEU 1 3.885 1.536 -3.806 5 HG LEU 1 HG LEU 1 4.121 3.890 -3.155 6 HD11 LEU 1 HD11 LEU 1 2.027 3.105 -4.134 7 HD12 LEU 1 HD12 LEU 1 1.745 4.400 -2.971 8 HD13 LEU 1 HD13 LEU 1 1.411 2.726 -2.526 9 HD21 LEU 1 HD21 LEU 1 3.679 4.715 -1.054 10 HD22 LEU 1 HD22 LEU 1 4.442 3.173 -0.664 11 HD23 LEU 1 HD23 LEU 1 2.686 3.330 -0.599 12 H THR 2 H THR 2 2.278 -1.119 -3.404 13 HA THR 2 HA THR 2 3.883 -3.283 -2.480 14 HB THR 2 HB THR 2 2.701 -4.654 -3.947 15 HG1 THR 2 HG1 THR 2 2.179 -4.080 -5.948 16 HG21 THR 2 HG21 THR 2 0.591 -4.261 -3.270 17 HG22 THR 2 HG22 THR 2 0.551 -2.658 -4.005 18 HG23 THR 2 HG23 THR 2 1.293 -2.884 -2.422 19 H CYS 3 H CYS 3 5.554 -4.375 -3.509 20 HA CYS 3 HA CYS 3 7.598 -3.034 -4.640 21 HB2 CYS 3 HB2 CYS 3 6.715 -5.874 -5.140 22 HB3 CYS 3 HB3 CYS 3 8.227 -5.234 -5.776 23 H GLY 4 H GLY 4 4.667 -3.994 -6.240 24 HA2 GLY 4 HA2 GLY 4 5.493 -3.836 -8.917 25 HA3 GLY 4 HA3 GLY 4 3.853 -3.571 -8.343 26 H GLN 5 H GLN 5 3.876 -1.332 -6.955 27 HA GLN 5 HA GLN 5 4.278 0.675 -8.954 28 HB2 GLN 5 HB2 GLN 5 3.477 0.977 -6.055 29 HB3 GLN 5 HB3 GLN 5 3.346 2.218 -7.294 30 HG2 GLN 5 HG2 GLN 5 1.711 -0.232 -6.883 31 HG3 GLN 5 HG3 GLN 5 1.202 1.423 -7.215 32 HE21 GLN 5 HE21 GLN 5 2.640 -1.452 -8.632 33 HE22 GLN 5 HE22 GLN 5 2.163 -1.116 -10.258 34 H VAL 6 H VAL 6 5.757 -0.057 -5.814 35 HA VAL 6 HA VAL 6 7.426 2.060 -5.442 36 HB VAL 6 HB VAL 6 8.238 -0.825 -5.055 37 HG11 VAL 6 HG11 VAL 6 9.656 0.100 -3.251 38 HG12 VAL 6 HG12 VAL 6 10.122 0.671 -4.855 39 HG13 VAL 6 HG13 VAL 6 9.211 1.725 -3.772 40 HG21 VAL 6 HG21 VAL 6 6.729 1.049 -3.236 41 HG22 VAL 6 HG22 VAL 6 6.111 -0.424 -3.983 42 HG23 VAL 6 HG23 VAL 6 7.373 -0.521 -2.756 43 H THR 7 H THR 7 8.422 -0.898 -7.176 44 HA THR 7 HA THR 7 10.830 0.135 -8.161 45 HB THR 7 HB THR 7 9.364 -1.871 -9.807 46 HG1 THR 7 HG1 THR 7 10.433 -2.479 -7.236 47 HG21 THR 7 HG21 THR 7 11.551 -1.622 -10.522 48 HG22 THR 7 HG22 THR 7 11.694 -2.984 -9.410 49 HG23 THR 7 HG23 THR 7 12.165 -1.367 -8.889 50 H GLY 8 H GLY 8 7.554 0.286 -9.422 51 HA2 GLY 8 HA2 GLY 8 8.179 1.156 -12.033 52 HA3 GLY 8 HA3 GLY 8 6.650 1.413 -11.206 53 H ALA 9 H ALA 9 7.967 2.862 -8.993 54 HA ALA 9 HA ALA 9 7.904 5.473 -10.206 55 HB1 ALA 9 HB1 ALA 9 8.565 6.020 -7.675 56 HB2 ALA 9 HB2 ALA 9 6.913 5.656 -8.178 57 HB3 ALA 9 HB3 ALA 9 7.912 4.397 -7.452 58 H LEU 10 H LEU 10 10.330 3.397 -8.697 59 HA LEU 10 HA LEU 10 12.408 5.390 -9.162 60 HB2 LEU 10 HB2 LEU 10 12.229 2.831 -7.643 61 HB3 LEU 10 HB3 LEU 10 13.812 3.415 -8.149 62 HG LEU 10 HG LEU 10 11.864 4.868 -6.360 63 HD11 LEU 10 HD11 LEU 10 12.836 3.833 -4.661 64 HD12 LEU 10 HD12 LEU 10 14.426 4.363 -5.210 65 HD13 LEU 10 HD13 LEU 10 13.749 2.847 -5.804 66 HD21 LEU 10 HD21 LEU 10 14.425 5.671 -7.659 67 HD22 LEU 10 HD22 LEU 10 14.048 6.278 -6.047 68 HD23 LEU 10 HD23 LEU 10 12.954 6.607 -7.392 69 H ALA 11 H ALA 11 10.902 3.411 -11.128 70 HA ALA 11 HA ALA 11 12.827 1.750 -12.297 71 HB1 ALA 11 HB1 ALA 11 10.156 2.483 -12.814 72 HB2 ALA 11 HB2 ALA 11 11.059 2.750 -14.305 73 HB3 ALA 11 HB3 ALA 11 11.082 1.165 -13.533 74 HA PRO 12 HA PRO 12 13.760 5.320 -15.414 75 HB2 PRO 12 HB2 PRO 12 12.746 7.773 -14.844 76 HB3 PRO 12 HB3 PRO 12 11.874 6.573 -15.805 77 HG2 PRO 12 HG2 PRO 12 11.572 7.262 -12.907 78 HG3 PRO 12 HG3 PRO 12 10.316 6.953 -14.121 79 HD2 PRO 12 HD2 PRO 12 11.087 5.089 -12.315 80 HD3 PRO 12 HD3 PRO 12 10.535 4.665 -13.949 81 H CYS 13 H CYS 13 14.085 5.241 -12.124 82 HA CYS 13 HA CYS 13 15.996 7.449 -11.971 83 HB2 CYS 13 HB2 CYS 13 15.084 5.594 -9.764 84 HB3 CYS 13 HB3 CYS 13 15.971 7.104 -9.579 85 H LEU 14 H LEU 14 15.850 3.994 -12.144 86 HA LEU 14 HA LEU 14 18.232 3.183 -11.042 87 HB2 LEU 14 HB2 LEU 14 16.874 2.219 -13.551 88 HB3 LEU 14 HB3 LEU 14 18.231 1.389 -12.791 89 HG LEU 14 HG LEU 14 15.398 1.635 -11.859 90 HD11 LEU 14 HD11 LEU 14 15.408 -0.452 -12.617 91 HD12 LEU 14 HD12 LEU 14 16.483 -0.859 -11.281 92 HD13 LEU 14 HD13 LEU 14 17.156 -0.427 -12.853 93 HD21 LEU 14 HD21 LEU 14 16.605 2.373 -9.940 94 HD22 LEU 14 HD22 LEU 14 17.819 1.110 -10.145 95 HD23 LEU 14 HD23 LEU 14 16.172 0.683 -9.678 96 H GLY 15 H GLY 15 17.726 5.093 -13.877 97 HA2 GLY 15 HA2 GLY 15 20.292 4.609 -15.064 98 HA3 GLY 15 HA3 GLY 15 19.165 5.886 -15.499 99 H TYR 16 H TYR 16 18.919 7.434 -13.372 100 HA TYR 16 HA TYR 16 21.283 8.931 -13.320 101 HB2 TYR 16 HB2 TYR 16 19.102 9.927 -12.866 102 HB3 TYR 16 HB3 TYR 16 18.949 8.973 -11.395 103 HD1 TYR 16 HD1 TYR 16 21.337 11.392 -12.956 104 HD2 TYR 16 HD2 TYR 16 19.455 10.011 -9.400 105 HE1 TYR 16 HE1 TYR 16 22.435 13.189 -11.685 106 HE2 TYR 16 HE2 TYR 16 20.546 11.805 -8.119 107 HH TYR 16 HH TYR 16 21.791 14.456 -9.360 108 H LEU 17 H LEU 17 20.026 6.499 -11.108 109 HA LEU 17 HA LEU 17 21.981 6.915 -9.079 110 HB2 LEU 17 HB2 LEU 17 20.462 4.370 -9.580 111 HB3 LEU 17 HB3 LEU 17 21.124 4.957 -8.055 112 HG LEU 17 HG LEU 17 18.945 6.465 -9.456 113 HD11 LEU 17 HD11 LEU 17 18.501 3.903 -8.981 114 HD12 LEU 17 HD12 LEU 17 17.275 5.131 -8.670 115 HD13 LEU 17 HD13 LEU 17 18.249 4.502 -7.341 116 HD21 LEU 17 HD21 LEU 17 20.419 6.722 -7.030 117 HD22 LEU 17 HD22 LEU 17 18.726 6.419 -6.638 118 HD23 LEU 17 HD23 LEU 17 19.162 7.775 -7.680 119 H ARG 18 H ARG 18 21.743 4.796 -11.881 120 HA ARG 18 HA ARG 18 24.283 3.524 -11.229 121 HB2 ARG 18 HB2 ARG 18 22.200 3.053 -13.349 122 HB3 ARG 18 HB3 ARG 18 23.782 2.291 -13.433 123 HG2 ARG 18 HG2 ARG 18 23.281 0.796 -11.848 124 HG3 ARG 18 HG3 ARG 18 22.451 1.990 -10.847 125 HD2 ARG 18 HD2 ARG 18 20.428 1.549 -11.762 126 HD3 ARG 18 HD3 ARG 18 21.102 1.230 -13.360 127 HE ARG 18 HE ARG 18 21.707 -0.790 -11.398 128 HH11 ARG 18 HH11 ARG 18 19.436 0.304 -13.799 129 HH12 ARG 18 HH12 ARG 18 18.757 -1.268 -14.062 130 HH21 ARG 18 HH21 ARG 18 20.820 -2.864 -11.734 131 HH22 ARG 18 HH22 ARG 18 19.544 -3.069 -12.886 132 H THR 19 H THR 19 23.561 6.394 -12.415 133 HA THR 19 HA THR 19 25.194 6.415 -14.800 134 HB THR 19 HB THR 19 23.680 8.524 -13.291 135 HG1 THR 19 HG1 THR 19 23.593 7.363 -15.878 136 HG21 THR 19 HG21 THR 19 25.809 9.558 -13.900 137 HG22 THR 19 HG22 THR 19 24.497 10.198 -14.890 138 HG23 THR 19 HG23 THR 19 25.611 9.008 -15.563 139 H ALA 20 H ALA 20 27.054 7.848 -15.033 140 HA ALA 20 HA ALA 20 29.203 7.351 -13.558 141 HB1 ALA 20 HB1 ALA 20 28.506 9.379 -15.397 142 HB2 ALA 20 HB2 ALA 20 29.364 10.151 -14.063 143 HB3 ALA 20 HB3 ALA 20 30.116 8.821 -14.943 144 H GLY 21 H GLY 21 27.636 10.492 -12.950 145 HA2 GLY 21 HA2 GLY 21 27.115 10.161 -10.234 146 HA3 GLY 21 HA3 GLY 21 28.766 10.748 -10.368 147 H SER 22 H SER 22 29.097 12.777 -11.559 148 HA SER 22 HA SER 22 27.346 14.788 -10.635 149 HB2 SER 22 HB2 SER 22 29.599 15.433 -10.914 150 HB3 SER 22 HB3 SER 22 29.667 14.796 -12.557 151 HG SER 22 HG SER 22 28.149 17.036 -11.697 152 H VAL 23 H VAL 23 25.460 15.407 -11.433 153 HA VAL 23 HA VAL 23 24.952 16.053 -14.095 154 HB VAL 23 HB VAL 23 23.172 14.099 -14.368 155 HG11 VAL 23 HG11 VAL 23 24.412 13.610 -16.155 156 HG12 VAL 23 HG12 VAL 23 25.579 14.782 -15.540 157 HG13 VAL 23 HG13 VAL 23 25.767 13.069 -15.164 158 HG21 VAL 23 HG21 VAL 23 24.387 13.214 -12.109 159 HG22 VAL 23 HG22 VAL 23 23.553 12.176 -13.265 160 HG23 VAL 23 HG23 VAL 23 25.305 12.357 -13.347 161 HA PRO 24 HA PRO 24 21.410 17.883 -12.261 162 HB2 PRO 24 HB2 PRO 24 19.671 17.960 -14.344 163 HB3 PRO 24 HB3 PRO 24 21.093 19.005 -14.241 164 HG2 PRO 24 HG2 PRO 24 20.719 16.461 -15.773 165 HG3 PRO 24 HG3 PRO 24 21.497 17.970 -16.283 166 HD2 PRO 24 HD2 PRO 24 22.907 15.809 -15.463 167 HD3 PRO 24 HD3 PRO 24 23.464 17.473 -15.190 168 H VAL 25 H VAL 25 19.895 17.119 -10.932 169 HA VAL 25 HA VAL 25 19.104 14.490 -10.740 170 HB VAL 25 HB VAL 25 17.983 17.043 -9.705 171 HG11 VAL 25 HG11 VAL 25 15.892 16.186 -10.047 172 HG12 VAL 25 HG12 VAL 25 16.447 14.512 -9.987 173 HG13 VAL 25 HG13 VAL 25 16.271 15.438 -8.496 174 HG21 VAL 25 HG21 VAL 25 18.407 16.006 -7.568 175 HG22 VAL 25 HG22 VAL 25 18.746 14.460 -8.346 176 HG23 VAL 25 HG23 VAL 25 19.831 15.828 -8.592 177 HA PRO 26 HA PRO 26 16.297 13.893 -14.100 178 HB2 PRO 26 HB2 PRO 26 15.172 11.582 -13.225 179 HB3 PRO 26 HB3 PRO 26 16.800 11.659 -13.910 180 HG2 PRO 26 HG2 PRO 26 15.954 11.578 -11.039 181 HG3 PRO 26 HG3 PRO 26 17.275 10.708 -11.841 182 HD2 PRO 26 HD2 PRO 26 17.686 12.940 -10.363 183 HD3 PRO 26 HD3 PRO 26 18.685 12.531 -11.773 184 H LEU 27 H LEU 27 14.486 15.027 -14.365 185 HA LEU 27 HA LEU 27 12.766 15.780 -12.256 186 HB2 LEU 27 HB2 LEU 27 12.632 15.957 -15.238 187 HB3 LEU 27 HB3 LEU 27 11.227 16.383 -14.264 188 HG LEU 27 HG LEU 27 12.423 18.383 -14.843 189 HD11 LEU 27 HD11 LEU 27 11.580 17.821 -12.387 190 HD12 LEU 27 HD12 LEU 27 12.357 19.351 -12.791 191 HD13 LEU 27 HD13 LEU 27 13.289 18.064 -12.028 192 HD21 LEU 27 HD21 LEU 27 14.850 17.371 -13.398 193 HD22 LEU 27 HD22 LEU 27 14.702 18.753 -14.484 194 HD23 LEU 27 HD23 LEU 27 14.629 17.112 -15.129 195 H THR 28 H THR 28 12.044 13.718 -15.080 196 HA THR 28 HA THR 28 9.585 12.781 -14.371 197 HB THR 28 HB THR 28 10.326 10.576 -15.511 198 HG1 THR 28 HG1 THR 28 12.328 10.507 -16.293 199 HG21 THR 28 HG21 THR 28 10.378 13.280 -16.834 200 HG22 THR 28 HG22 THR 28 9.047 12.126 -16.757 201 HG23 THR 28 HG23 THR 28 10.462 11.776 -17.750 202 H CYS 29 H CYS 29 12.708 11.675 -13.167 203 HA CYS 29 HA CYS 29 11.718 9.436 -11.732 204 HB2 CYS 29 HB2 CYS 29 14.032 9.427 -12.221 205 HB3 CYS 29 HB3 CYS 29 14.260 11.044 -11.563 206 H CYS 30 H CYS 30 12.444 12.780 -10.805 207 HA CYS 30 HA CYS 30 11.995 12.582 -8.070 208 HB2 CYS 30 HB2 CYS 30 11.416 14.912 -9.912 209 HB3 CYS 30 HB3 CYS 30 11.501 15.011 -8.156 210 H ASN 31 H ASN 31 9.722 12.829 -10.723 211 HA ASN 31 HA ASN 31 7.410 13.554 -9.380 212 HB2 ASN 31 HB2 ASN 31 8.005 12.013 -11.852 213 HB3 ASN 31 HB3 ASN 31 6.375 11.879 -11.199 214 HD21 ASN 31 HD21 ASN 31 5.193 13.063 -12.548 215 HD22 ASN 31 HD22 ASN 31 5.483 14.721 -12.934 216 H GLY 32 H GLY 32 8.768 10.303 -9.861 217 HA2 GLY 32 HA2 GLY 32 6.687 8.979 -8.425 218 HA3 GLY 32 HA3 GLY 32 8.233 8.285 -8.889 219 H VAL 33 H VAL 33 10.064 9.741 -7.577 220 HA VAL 33 HA VAL 33 10.048 8.705 -4.999 221 HB VAL 33 HB VAL 33 11.568 11.124 -5.983 222 HG11 VAL 33 HG11 VAL 33 12.576 11.241 -4.002 223 HG12 VAL 33 HG12 VAL 33 11.331 10.149 -3.392 224 HG13 VAL 33 HG13 VAL 33 12.866 9.502 -3.972 225 HG21 VAL 33 HG21 VAL 33 12.081 8.177 -6.151 226 HG22 VAL 33 HG22 VAL 33 12.196 9.401 -7.416 227 HG23 VAL 33 HG23 VAL 33 13.416 9.329 -6.144 228 H ARG 34 H ARG 34 9.416 12.061 -6.019 229 HA ARG 34 HA ARG 34 8.895 13.178 -3.551 230 HB2 ARG 34 HB2 ARG 34 8.979 14.719 -5.281 231 HB3 ARG 34 HB3 ARG 34 7.924 13.768 -6.317 232 HG2 ARG 34 HG2 ARG 34 6.793 14.899 -3.813 233 HG3 ARG 34 HG3 ARG 34 7.097 15.984 -5.171 234 HD2 ARG 34 HD2 ARG 34 5.858 14.068 -6.508 235 HD3 ARG 34 HD3 ARG 34 5.167 13.734 -4.920 236 HE ARG 34 HE ARG 34 4.981 16.494 -5.536 237 HH11 ARG 34 HH11 ARG 34 3.573 13.402 -6.299 238 HH12 ARG 34 HH12 ARG 34 2.026 14.063 -6.715 239 HH21 ARG 34 HH21 ARG 34 2.949 17.375 -6.081 240 HH22 ARG 34 HH22 ARG 34 1.673 16.323 -6.592 241 H GLY 35 H GLY 35 6.641 11.488 -5.714 242 HA2 GLY 35 HA2 GLY 35 4.371 11.843 -4.032 243 HA3 GLY 35 HA3 GLY 35 4.506 10.705 -5.364 244 H LEU 36 H LEU 36 6.967 9.543 -4.080 245 HA LEU 36 HA LEU 36 5.673 7.449 -2.682 246 HB2 LEU 36 HB2 LEU 36 8.544 8.205 -3.100 247 HB3 LEU 36 HB3 LEU 36 8.097 6.846 -2.070 248 HG LEU 36 HG LEU 36 7.061 6.933 -4.865 249 HD11 LEU 36 HD11 LEU 36 9.359 5.442 -5.059 250 HD12 LEU 36 HD12 LEU 36 9.876 6.847 -4.129 251 HD13 LEU 36 HD13 LEU 36 9.121 7.064 -5.708 252 HD21 LEU 36 HD21 LEU 36 6.331 5.207 -3.263 253 HD22 LEU 36 HD22 LEU 36 8.007 4.687 -3.087 254 HD23 LEU 36 HD23 LEU 36 7.192 4.529 -4.644 255 H ASN 37 H ASN 37 7.918 9.981 -1.560 256 HA ASN 37 HA ASN 37 7.879 9.359 1.146 257 HB2 ASN 37 HB2 ASN 37 9.486 10.930 0.714 258 HB3 ASN 37 HB3 ASN 37 8.482 11.795 -0.446 259 HD21 ASN 37 HD21 ASN 37 8.980 11.202 2.985 260 HD22 ASN 37 HD22 ASN 37 8.321 12.704 3.527 261 H ASN 38 H ASN 38 5.609 11.229 -0.778 262 HA ASN 38 HA ASN 38 4.050 11.949 1.570 263 HB2 ASN 38 HB2 ASN 38 4.231 13.671 -0.082 264 HB3 ASN 38 HB3 ASN 38 3.739 12.573 -1.368 265 HD21 ASN 38 HD21 ASN 38 1.586 12.073 -1.630 266 HD22 ASN 38 HD22 ASN 38 0.323 12.941 -0.832 267 H ALA 39 H ALA 39 4.122 9.543 -0.886 268 HA ALA 39 HA ALA 39 1.370 8.806 -0.803 269 HB1 ALA 39 HB1 ALA 39 2.283 6.647 -1.834 270 HB2 ALA 39 HB2 ALA 39 2.504 8.146 -2.738 271 HB3 ALA 39 HB3 ALA 39 3.848 7.459 -1.826 272 H ALA 40 H ALA 40 4.286 7.645 0.836 273 HA ALA 40 HA ALA 40 2.764 5.670 2.329 274 HB1 ALA 40 HB1 ALA 40 4.923 4.966 1.601 275 HB2 ALA 40 HB2 ALA 40 5.690 6.385 2.316 276 HB3 ALA 40 HB3 ALA 40 4.984 5.147 3.355 277 H ARG 41 H ARG 41 1.541 6.462 3.927 278 HA ARG 41 HA ARG 41 2.573 8.655 5.573 279 HB2 ARG 41 HB2 ARG 41 0.385 9.123 4.808 280 HB3 ARG 41 HB3 ARG 41 -0.176 7.497 5.172 281 HG2 ARG 41 HG2 ARG 41 0.807 9.132 7.436 282 HG3 ARG 41 HG3 ARG 41 -0.739 9.580 6.712 283 HD2 ARG 41 HD2 ARG 41 -0.102 6.767 7.563 284 HD3 ARG 41 HD3 ARG 41 -0.812 7.951 8.661 285 HE ARG 41 HE ARG 41 -2.159 6.501 6.624 286 HH11 ARG 41 HH11 ARG 41 -2.071 9.589 8.230 287 HH12 ARG 41 HH12 ARG 41 -3.742 9.938 7.932 288 HH21 ARG 41 HH21 ARG 41 -4.359 6.949 6.225 289 HH22 ARG 41 HH22 ARG 41 -5.043 8.436 6.792 290 H THR 42 H THR 42 1.673 5.289 5.696 291 HA THR 42 HA THR 42 1.942 5.189 8.596 292 HB THR 42 HB THR 42 0.945 3.122 8.553 293 HG1 THR 42 HG1 THR 42 1.190 1.651 6.845 294 HG21 THR 42 HG21 THR 42 0.012 4.154 5.876 295 HG22 THR 42 HG22 THR 42 -0.522 4.811 7.423 296 HG23 THR 42 HG23 THR 42 -0.881 3.136 7.005 297 H THR 43 H THR 43 3.528 4.041 9.686 298 HA THR 43 HA THR 43 6.114 4.099 8.664 299 HB THR 43 HB THR 43 5.169 2.279 10.884 300 HG1 THR 43 HG1 THR 43 4.608 4.142 11.751 301 HG21 THR 43 HG21 THR 43 7.790 3.659 10.935 302 HG22 THR 43 HG22 THR 43 7.611 2.334 9.784 303 HG23 THR 43 HG23 THR 43 7.345 2.051 11.504 304 H ILE 44 H ILE 44 3.851 1.380 8.925 305 HA ILE 44 HA ILE 44 5.545 -0.652 8.046 306 HB ILE 44 HB ILE 44 2.568 -0.302 7.894 307 HG12 ILE 44 HG12 ILE 44 2.537 -2.009 9.584 308 HG13 ILE 44 HG13 ILE 44 4.246 -2.356 9.342 309 HG21 ILE 44 HG21 ILE 44 2.610 -2.802 7.248 310 HG22 ILE 44 HG22 ILE 44 2.857 -1.594 5.988 311 HG23 ILE 44 HG23 ILE 44 4.238 -2.459 6.662 312 HD11 ILE 44 HD11 ILE 44 4.843 -0.204 10.258 313 HD12 ILE 44 HD12 ILE 44 3.140 0.223 10.424 314 HD13 ILE 44 HD13 ILE 44 3.819 -1.086 11.390 315 H ASP 45 H ASP 45 3.163 1.176 6.116 316 HA ASP 45 HA ASP 45 3.673 0.162 3.632 317 HB2 ASP 45 HB2 ASP 45 2.847 2.875 4.581 318 HB3 ASP 45 HB3 ASP 45 3.210 2.645 2.873 319 H ARG 46 H ARG 46 5.469 2.733 5.283 320 HA ARG 46 HA ARG 46 7.228 3.337 3.176 321 HB2 ARG 46 HB2 ARG 46 7.321 3.714 6.149 322 HB3 ARG 46 HB3 ARG 46 8.739 4.079 5.175 323 HG2 ARG 46 HG2 ARG 46 6.921 5.434 3.774 324 HG3 ARG 46 HG3 ARG 46 6.148 5.485 5.359 325 HD2 ARG 46 HD2 ARG 46 7.989 6.585 6.335 326 HD3 ARG 46 HD3 ARG 46 9.033 6.220 4.961 327 HE ARG 46 HE ARG 46 7.023 7.749 3.917 328 HH11 ARG 46 HH11 ARG 46 9.343 8.133 6.484 329 HH12 ARG 46 HH12 ARG 46 9.438 9.855 6.316 330 HH21 ARG 46 HH21 ARG 46 7.140 10.015 3.686 331 HH22 ARG 46 HH22 ARG 46 8.184 10.925 4.725 332 H ARG 47 H ARG 47 7.477 1.035 5.857 333 HA ARG 47 HA ARG 47 10.113 0.182 5.269 334 HB2 ARG 47 HB2 ARG 47 7.921 -1.321 6.711 335 HB3 ARG 47 HB3 ARG 47 9.640 -1.685 6.773 336 HG2 ARG 47 HG2 ARG 47 10.115 0.121 8.115 337 HG3 ARG 47 HG3 ARG 47 8.686 1.016 7.595 338 HD2 ARG 47 HD2 ARG 47 8.052 0.372 9.706 339 HD3 ARG 47 HD3 ARG 47 7.407 -0.957 8.744 340 HE ARG 47 HE ARG 47 10.062 -1.464 9.677 341 HH11 ARG 47 HH11 ARG 47 6.696 -1.537 10.562 342 HH12 ARG 47 HH12 ARG 47 6.905 -2.763 11.768 343 HH21 ARG 47 HH21 ARG 47 10.350 -3.079 11.262 344 HH22 ARG 47 HH22 ARG 47 8.984 -3.639 12.166 345 H THR 48 H THR 48 6.924 -0.963 4.289 346 HA THR 48 HA THR 48 7.632 -3.364 3.082 347 HB THR 48 HB THR 48 5.423 -1.406 2.514 348 HG1 THR 48 HG1 THR 48 4.196 -3.027 3.471 349 HG21 THR 48 HG21 THR 48 6.009 -2.459 0.371 350 HG22 THR 48 HG22 THR 48 4.441 -3.013 0.960 351 HG23 THR 48 HG23 THR 48 5.860 -4.049 1.118 352 H ALA 49 H ALA 49 7.146 -0.234 1.432 353 HA ALA 49 HA ALA 49 8.268 -1.120 -1.017 354 HB1 ALA 49 HB1 ALA 49 7.566 1.580 0.083 355 HB2 ALA 49 HB2 ALA 49 8.362 1.402 -1.481 356 HB3 ALA 49 HB3 ALA 49 6.782 0.669 -1.208 357 H CYS 50 H CYS 50 9.560 0.701 1.727 358 HA CYS 50 HA CYS 50 12.017 1.445 0.665 359 HB2 CYS 50 HB2 CYS 50 11.418 2.374 2.753 360 HB3 CYS 50 HB3 CYS 50 11.149 0.789 3.473 361 H ASN 51 H ASN 51 11.219 -1.489 2.522 362 HA ASN 51 HA ASN 51 13.730 -2.683 2.450 363 HB2 ASN 51 HB2 ASN 51 10.942 -3.665 2.802 364 HB3 ASN 51 HB3 ASN 51 12.185 -4.865 2.457 365 HD21 ASN 51 HD21 ASN 51 12.864 -5.793 4.235 366 HD22 ASN 51 HD22 ASN 51 13.126 -5.020 5.758 367 H CYS 52 H CYS 52 10.982 -3.212 0.242 368 HA CYS 52 HA CYS 52 12.118 -5.017 -1.490 369 HB2 CYS 52 HB2 CYS 52 9.742 -3.967 -1.465 370 HB3 CYS 52 HB3 CYS 52 10.437 -2.759 -2.541 371 H LEU 53 H LEU 53 12.347 -1.476 -1.616 372 HA LEU 53 HA LEU 53 14.033 -1.477 -3.929 373 HB2 LEU 53 HB2 LEU 53 13.275 0.637 -1.931 374 HB3 LEU 53 HB3 LEU 53 14.383 0.946 -3.266 375 HG LEU 53 HG LEU 53 11.588 -0.066 -3.715 376 HD11 LEU 53 HD11 LEU 53 11.333 2.499 -4.345 377 HD12 LEU 53 HD12 LEU 53 12.525 2.668 -3.057 378 HD13 LEU 53 HD13 LEU 53 10.978 1.888 -2.729 379 HD21 LEU 53 HD21 LEU 53 12.221 1.432 -5.845 380 HD22 LEU 53 HD22 LEU 53 12.582 -0.291 -5.733 381 HD23 LEU 53 HD23 LEU 53 13.835 0.899 -5.373 382 H LYS 54 H LYS 54 14.522 -1.557 -0.483 383 HA LYS 54 HA LYS 54 17.190 -0.704 -0.360 384 HB2 LYS 54 HB2 LYS 54 15.374 -1.398 1.493 385 HB3 LYS 54 HB3 LYS 54 16.328 -2.875 1.472 386 HG2 LYS 54 HG2 LYS 54 17.414 -1.707 3.100 387 HG3 LYS 54 HG3 LYS 54 18.338 -1.199 1.685 388 HD2 LYS 54 HD2 LYS 54 15.946 0.382 2.517 389 HD3 LYS 54 HD3 LYS 54 17.459 0.570 3.406 390 HE2 LYS 54 HE2 LYS 54 17.837 2.148 1.829 391 HE3 LYS 54 HE3 LYS 54 18.395 0.755 0.904 392 HZ1 LYS 54 HZ1 LYS 54 16.935 1.465 -0.610 393 HZ2 LYS 54 HZ2 LYS 54 16.086 2.428 0.491 394 HZ3 LYS 54 HZ3 LYS 54 15.753 0.773 0.385 395 H GLN 55 H GLN 55 15.774 -3.829 -1.116 396 HA GLN 55 HA GLN 55 18.138 -5.359 -0.982 397 HB2 GLN 55 HB2 GLN 55 15.436 -5.700 -2.157 398 HB3 GLN 55 HB3 GLN 55 16.712 -6.724 -2.804 399 HG2 GLN 55 HG2 GLN 55 16.409 -6.531 0.145 400 HG3 GLN 55 HG3 GLN 55 15.238 -7.481 -0.767 401 HE21 GLN 55 HE21 GLN 55 17.510 -8.108 1.152 402 HE22 GLN 55 HE22 GLN 55 18.400 -9.350 0.346 403 H THR 56 H THR 56 16.468 -3.942 -3.794 404 HA THR 56 HA THR 56 18.323 -4.674 -5.735 405 HB THR 56 HB THR 56 16.382 -2.384 -5.573 406 HG1 THR 56 HG1 THR 56 16.567 -4.755 -7.146 407 HG21 THR 56 HG21 THR 56 16.888 -2.008 -8.010 408 HG22 THR 56 HG22 THR 56 18.340 -2.986 -7.787 409 HG23 THR 56 HG23 THR 56 18.148 -1.475 -6.897 410 H ALA 57 H ALA 57 18.066 -1.545 -4.038 411 HA ALA 57 HA ALA 57 20.247 -0.261 -5.097 412 HB1 ALA 57 HB1 ALA 57 20.193 0.332 -2.316 413 HB2 ALA 57 HB2 ALA 57 19.576 1.290 -3.663 414 HB3 ALA 57 HB3 ALA 57 18.535 0.105 -2.873 415 H ASN 58 H ASN 58 20.205 -2.482 -2.325 416 HA ASN 58 HA ASN 58 22.983 -2.292 -1.789 417 HB2 ASN 58 HB2 ASN 58 20.912 -4.364 -1.050 418 HB3 ASN 58 HB3 ASN 58 22.582 -4.434 -0.494 419 HD21 ASN 58 HD21 ASN 58 23.168 -1.882 0.099 420 HD22 ASN 58 HD22 ASN 58 22.147 -1.299 1.364 421 H ALA 59 H ALA 59 21.206 -3.899 -4.207 422 HA ALA 59 HA ALA 59 23.289 -5.881 -4.708 423 HB1 ALA 59 HB1 ALA 59 21.399 -7.009 -5.167 424 HB2 ALA 59 HB2 ALA 59 20.479 -5.541 -5.500 425 HB3 ALA 59 HB3 ALA 59 21.534 -6.219 -6.739 426 H ILE 60 H ILE 60 22.004 -2.904 -6.026 427 HA ILE 60 HA ILE 60 23.109 -2.925 -8.570 428 HB ILE 60 HB ILE 60 22.814 -0.539 -6.741 429 HG12 ILE 60 HG12 ILE 60 20.917 -2.001 -8.549 430 HG13 ILE 60 HG13 ILE 60 20.660 -1.421 -6.907 431 HG21 ILE 60 HG21 ILE 60 24.260 -0.011 -8.590 432 HG22 ILE 60 HG22 ILE 60 23.124 -0.727 -9.732 433 HG23 ILE 60 HG23 ILE 60 22.688 0.741 -8.860 434 HD11 ILE 60 HD11 ILE 60 20.669 0.151 -9.459 435 HD12 ILE 60 HD12 ILE 60 19.373 -0.029 -8.276 436 HD13 ILE 60 HD13 ILE 60 20.806 0.918 -7.877 437 H ALA 61 H ALA 61 25.158 -3.683 -8.799 438 HA ALA 61 HA ALA 61 27.332 -3.180 -7.124 439 HB1 ALA 61 HB1 ALA 61 28.640 -4.239 -8.700 440 HB2 ALA 61 HB2 ALA 61 27.038 -4.868 -9.084 441 HB3 ALA 61 HB3 ALA 61 27.733 -3.572 -10.057 442 H ASP 62 H ASP 62 25.711 -1.065 -9.193 443 HA ASP 62 HA ASP 62 28.012 0.777 -9.222 444 HB2 ASP 62 HB2 ASP 62 25.664 0.719 -11.130 445 HB3 ASP 62 HB3 ASP 62 27.033 1.826 -11.202 446 H LEU 63 H LEU 63 25.951 0.330 -7.127 447 HA LEU 63 HA LEU 63 24.035 2.361 -7.089 448 HB2 LEU 63 HB2 LEU 63 23.822 0.647 -5.501 449 HB3 LEU 63 HB3 LEU 63 25.471 0.868 -4.919 450 HG LEU 63 HG LEU 63 24.830 2.957 -3.846 451 HD11 LEU 63 HD11 LEU 63 22.111 2.368 -4.998 452 HD12 LEU 63 HD12 LEU 63 23.137 3.764 -5.326 453 HD13 LEU 63 HD13 LEU 63 22.415 3.556 -3.731 454 HD21 LEU 63 HD21 LEU 63 23.556 2.043 -2.062 455 HD22 LEU 63 HD22 LEU 63 24.555 0.737 -2.701 456 HD23 LEU 63 HD23 LEU 63 22.841 0.819 -3.112 457 H ASN 64 H ASN 64 24.571 4.417 -7.530 458 HA ASN 64 HA ASN 64 27.005 5.589 -6.486 459 HB2 ASN 64 HB2 ASN 64 25.772 6.015 -8.796 460 HB3 ASN 64 HB3 ASN 64 24.912 7.225 -7.850 461 HD21 ASN 64 HD21 ASN 64 26.618 7.755 -10.034 462 HD22 ASN 64 HD22 ASN 64 27.957 8.676 -9.449 463 H LEU 65 H LEU 65 26.720 5.659 -4.263 464 HA LEU 65 HA LEU 65 24.559 6.376 -2.775 465 HB2 LEU 65 HB2 LEU 65 27.245 7.497 -2.083 466 HB3 LEU 65 HB3 LEU 65 26.002 6.854 -1.012 467 HG LEU 65 HG LEU 65 28.053 5.396 -2.627 468 HD11 LEU 65 HD11 LEU 65 28.307 4.172 -0.505 469 HD12 LEU 65 HD12 LEU 65 27.053 5.186 0.209 470 HD13 LEU 65 HD13 LEU 65 28.572 5.907 -0.323 471 HD21 LEU 65 HD21 LEU 65 26.455 3.983 -3.329 472 HD22 LEU 65 HD22 LEU 65 25.279 4.559 -2.147 473 HD23 LEU 65 HD23 LEU 65 26.507 3.385 -1.670 474 H ASN 66 H ASN 66 26.958 8.635 -4.125 475 HA ASN 66 HA ASN 66 25.847 11.002 -3.189 476 HB2 ASN 66 HB2 ASN 66 27.611 10.270 -5.475 477 HB3 ASN 66 HB3 ASN 66 26.883 11.874 -5.490 478 HD21 ASN 66 HD21 ASN 66 29.233 12.405 -5.394 479 HD22 ASN 66 HD22 ASN 66 29.944 12.573 -3.828 480 H ALA 67 H ALA 67 24.945 9.008 -5.921 481 HA ALA 67 HA ALA 67 23.123 10.956 -7.016 482 HB1 ALA 67 HB1 ALA 67 22.736 9.449 -8.738 483 HB2 ALA 67 HB2 ALA 67 24.404 9.103 -8.277 484 HB3 ALA 67 HB3 ALA 67 23.101 8.049 -7.729 485 H ALA 68 H ALA 68 22.673 7.702 -5.614 486 HA ALA 68 HA ALA 68 19.877 7.906 -5.366 487 HB1 ALA 68 HB1 ALA 68 21.919 6.132 -4.064 488 HB2 ALA 68 HB2 ALA 68 20.201 6.012 -3.684 489 HB3 ALA 68 HB3 ALA 68 20.760 5.737 -5.333 490 H ALA 69 H ALA 69 22.362 9.378 -3.599 491 HA ALA 69 HA ALA 69 20.802 9.652 -1.155 492 HB1 ALA 69 HB1 ALA 69 23.521 10.751 -1.862 493 HB2 ALA 69 HB2 ALA 69 22.757 10.817 -0.273 494 HB3 ALA 69 HB3 ALA 69 23.206 9.262 -0.971 495 H GLY 70 H GLY 70 22.110 11.710 -3.740 496 HA2 GLY 70 HA2 GLY 70 20.839 14.076 -2.680 497 HA3 GLY 70 HA3 GLY 70 21.726 13.953 -4.192 498 H LEU 71 H LEU 71 20.218 11.799 -5.304 499 HA LEU 71 HA LEU 71 18.293 13.110 -6.743 500 HB2 LEU 71 HB2 LEU 71 18.762 11.088 -7.664 501 HB3 LEU 71 HB3 LEU 71 18.833 10.273 -6.103 502 HG LEU 71 HG LEU 71 16.247 10.587 -6.125 503 HD11 LEU 71 HD11 LEU 71 16.654 11.966 -8.361 504 HD12 LEU 71 HD12 LEU 71 15.192 11.019 -8.086 505 HD13 LEU 71 HD13 LEU 71 16.500 10.356 -9.067 506 HD21 LEU 71 HD21 LEU 71 16.041 8.406 -6.828 507 HD22 LEU 71 HD22 LEU 71 17.760 8.481 -6.436 508 HD23 LEU 71 HD23 LEU 71 17.232 8.594 -8.116 509 HA PRO 72 HA PRO 72 14.773 11.603 -3.829 510 HB2 PRO 72 HB2 PRO 72 15.469 10.256 -1.577 511 HB3 PRO 72 HB3 PRO 72 15.175 9.453 -3.124 512 HG2 PRO 72 HG2 PRO 72 17.774 10.217 -1.850 513 HG3 PRO 72 HG3 PRO 72 17.338 8.718 -2.690 514 HD2 PRO 72 HD2 PRO 72 18.768 10.689 -3.874 515 HD3 PRO 72 HD3 PRO 72 17.647 9.649 -4.776 516 H ALA 73 H ALA 73 17.757 12.356 -2.053 517 HA ALA 73 HA ALA 73 16.652 13.681 0.124 518 HB1 ALA 73 HB1 ALA 73 19.275 14.112 -1.292 519 HB2 ALA 73 HB2 ALA 73 18.847 14.887 0.234 520 HB3 ALA 73 HB3 ALA 73 18.968 13.130 0.141 521 H LYS 74 H LYS 74 16.647 14.588 -3.148 522 HA LYS 74 HA LYS 74 15.807 17.315 -2.414 523 HB2 LYS 74 HB2 LYS 74 17.575 16.381 -4.649 524 HB3 LYS 74 HB3 LYS 74 16.622 17.846 -4.838 525 HG2 LYS 74 HG2 LYS 74 17.800 18.983 -3.212 526 HG3 LYS 74 HG3 LYS 74 18.358 17.500 -2.434 527 HD2 LYS 74 HD2 LYS 74 20.160 18.669 -3.646 528 HD3 LYS 74 HD3 LYS 74 19.854 17.052 -4.286 529 HE2 LYS 74 HE2 LYS 74 19.977 18.260 -6.231 530 HE3 LYS 74 HE3 LYS 74 18.247 18.345 -5.908 531 HZ1 LYS 74 HZ1 LYS 74 20.254 20.442 -5.822 532 HZ2 LYS 74 HZ2 LYS 74 19.096 20.489 -4.590 533 HZ3 LYS 74 HZ3 LYS 74 18.609 20.531 -6.209 534 H CYS 75 H CYS 75 15.724 15.200 -5.288 535 HA CYS 75 HA CYS 75 13.748 15.891 -6.779 536 HB2 CYS 75 HB2 CYS 75 14.248 13.218 -5.575 537 HB3 CYS 75 HB3 CYS 75 12.737 13.431 -6.454 538 H GLY 76 H GLY 76 13.015 14.484 -3.587 539 HA2 GLY 76 HA2 GLY 76 10.761 16.250 -3.270 540 HA3 GLY 76 HA3 GLY 76 10.297 14.577 -3.542 541 H VAL 77 H VAL 77 12.776 13.659 -2.129 542 HA VAL 77 HA VAL 77 11.624 13.637 0.521 543 HB VAL 77 HB VAL 77 14.245 12.402 -0.313 544 HG11 VAL 77 HG11 VAL 77 14.283 11.954 1.879 545 HG12 VAL 77 HG12 VAL 77 12.580 12.368 2.086 546 HG13 VAL 77 HG13 VAL 77 13.035 10.761 1.518 547 HG21 VAL 77 HG21 VAL 77 12.343 11.742 -1.813 548 HG22 VAL 77 HG22 VAL 77 13.097 10.410 -0.937 549 HG23 VAL 77 HG23 VAL 77 11.550 11.059 -0.393 550 H ASN 78 H ASN 78 12.751 16.153 -0.560 551 HA ASN 78 HA ASN 78 14.948 17.283 -0.010 552 HB2 ASN 78 HB2 ASN 78 12.665 18.089 1.800 553 HB3 ASN 78 HB3 ASN 78 13.965 19.116 1.201 554 HD21 ASN 78 HD21 ASN 78 10.816 18.247 0.778 555 HD22 ASN 78 HD22 ASN 78 10.592 18.777 -0.852 556 H ILE 79 H ILE 79 13.104 16.062 2.786 557 HA ILE 79 HA ILE 79 14.475 16.483 4.949 558 HB ILE 79 HB ILE 79 13.953 13.637 4.084 559 HG12 ILE 79 HG12 ILE 79 12.032 14.849 5.901 560 HG13 ILE 79 HG13 ILE 79 12.130 15.725 4.377 561 HG21 ILE 79 HG21 ILE 79 13.974 14.702 6.891 562 HG22 ILE 79 HG22 ILE 79 14.025 13.025 6.348 563 HG23 ILE 79 HG23 ILE 79 15.427 14.069 6.118 564 HD11 ILE 79 HD11 ILE 79 10.416 13.862 4.551 565 HD12 ILE 79 HD12 ILE 79 11.471 13.855 3.137 566 HD13 ILE 79 HD13 ILE 79 11.783 12.750 4.476 567 HA PRO 80 HA PRO 80 18.783 15.779 4.302 568 HB2 PRO 80 HB2 PRO 80 19.562 15.755 6.902 569 HB3 PRO 80 HB3 PRO 80 19.120 17.237 6.045 570 HG2 PRO 80 HG2 PRO 80 17.485 15.575 7.923 571 HG3 PRO 80 HG3 PRO 80 17.630 17.340 7.827 572 HD2 PRO 80 HD2 PRO 80 15.527 15.992 6.781 573 HD3 PRO 80 HD3 PRO 80 16.152 17.492 6.066 574 H TYR 81 H TYR 81 18.355 13.587 3.479 575 HA TYR 81 HA TYR 81 19.388 11.579 5.341 576 HB2 TYR 81 HB2 TYR 81 16.769 11.501 3.922 577 HB3 TYR 81 HB3 TYR 81 17.676 9.998 4.054 578 HD1 TYR 81 HD1 TYR 81 18.866 10.151 6.699 579 HD2 TYR 81 HD2 TYR 81 14.997 11.360 5.408 580 HE1 TYR 81 HE1 TYR 81 18.011 9.832 8.983 581 HE2 TYR 81 HE2 TYR 81 14.131 11.045 7.688 582 HH TYR 81 HH TYR 81 16.097 9.617 10.219 583 H LYS 82 H LYS 82 20.050 9.558 4.160 584 HA LYS 82 HA LYS 82 20.645 9.885 1.340 585 HB2 LYS 82 HB2 LYS 82 22.644 10.841 1.834 586 HB3 LYS 82 HB3 LYS 82 22.660 10.207 3.474 587 HG2 LYS 82 HG2 LYS 82 23.277 7.987 2.554 588 HG3 LYS 82 HG3 LYS 82 23.395 8.730 0.957 589 HD2 LYS 82 HD2 LYS 82 24.947 10.412 2.384 590 HD3 LYS 82 HD3 LYS 82 25.210 8.911 3.276 591 HE2 LYS 82 HE2 LYS 82 25.988 7.796 1.324 592 HE3 LYS 82 HE3 LYS 82 25.474 9.123 0.284 593 HZ1 LYS 82 HZ1 LYS 82 27.723 9.087 2.209 594 HZ2 LYS 82 HZ2 LYS 82 27.116 10.523 1.555 595 HZ3 LYS 82 HZ3 LYS 82 27.784 9.347 0.538 596 H ILE 83 H ILE 83 21.711 7.919 0.439 597 HA ILE 83 HA ILE 83 20.706 5.540 1.838 598 HB ILE 83 HB ILE 83 20.486 4.454 -0.226 599 HG12 ILE 83 HG12 ILE 83 22.699 5.011 -1.131 600 HG13 ILE 83 HG13 ILE 83 21.440 5.286 -2.330 601 HG21 ILE 83 HG21 ILE 83 19.285 6.133 -1.687 602 HG22 ILE 83 HG22 ILE 83 18.730 6.018 -0.017 603 HG23 ILE 83 HG23 ILE 83 19.764 7.358 -0.512 604 HD11 ILE 83 HD11 ILE 83 21.522 7.730 -1.440 605 HD12 ILE 83 HD12 ILE 83 23.117 7.254 -0.857 606 HD13 ILE 83 HD13 ILE 83 22.741 7.154 -2.577 607 H SER 84 H SER 84 22.031 3.493 0.961 608 HA SER 84 HA SER 84 24.800 3.741 0.554 609 HB2 SER 84 HB2 SER 84 25.025 2.624 3.092 610 HB3 SER 84 HB3 SER 84 25.517 4.251 2.623 611 HG SER 84 HG SER 84 24.050 4.904 3.964 612 HA PRO 85 HA PRO 85 24.492 -0.562 -0.238 613 HB2 PRO 85 HB2 PRO 85 26.862 -1.554 0.638 614 HB3 PRO 85 HB3 PRO 85 26.717 -0.552 -0.811 615 HG2 PRO 85 HG2 PRO 85 27.560 0.227 1.954 616 HG3 PRO 85 HG3 PRO 85 28.260 0.701 0.396 617 HD2 PRO 85 HD2 PRO 85 26.592 2.312 1.794 618 HD3 PRO 85 HD3 PRO 85 26.651 2.309 0.020 619 H SER 86 H SER 86 24.741 0.532 2.966 620 HA SER 86 HA SER 86 23.658 -2.007 3.940 621 HB2 SER 86 HB2 SER 86 26.041 -2.084 4.491 622 HB3 SER 86 HB3 SER 86 25.926 -0.508 5.274 623 HG SER 86 HG SER 86 25.701 -2.686 6.508 624 H THR 87 H THR 87 21.910 -0.192 3.477 625 HA THR 87 HA THR 87 21.404 1.151 6.052 626 HB THR 87 HB THR 87 21.912 2.674 4.043 627 HG1 THR 87 HG1 THR 87 20.724 4.142 5.061 628 HG21 THR 87 HG21 THR 87 20.586 1.537 2.365 629 HG22 THR 87 HG22 THR 87 19.940 3.159 2.621 630 HG23 THR 87 HG23 THR 87 19.124 1.763 3.325 631 H ASP 88 H ASP 88 19.386 0.961 6.924 632 HA ASP 88 HA ASP 88 17.460 -0.705 5.439 633 HB2 ASP 88 HB2 ASP 88 18.650 -1.723 7.497 634 HB3 ASP 88 HB3 ASP 88 17.625 -0.646 8.442 635 H CYS 89 H CYS 89 15.220 -0.525 6.756 636 HA CYS 89 HA CYS 89 14.533 2.305 6.585 637 HB2 CYS 89 HB2 CYS 89 12.483 0.195 7.089 638 HB3 CYS 89 HB3 CYS 89 12.373 1.654 6.109 639 H ASN 90 H ASN 90 15.922 0.931 8.914 640 HA ASN 90 HA ASN 90 14.057 1.002 11.083 641 HB2 ASN 90 HB2 ASN 90 16.315 -0.291 10.883 642 HB3 ASN 90 HB3 ASN 90 17.028 1.216 11.449 643 HD21 ASN 90 HD21 ASN 90 17.725 0.073 13.310 644 HD22 ASN 90 HD22 ASN 90 16.629 -0.252 14.606 645 H ARG 91 H ARG 91 16.335 3.252 9.655 646 HA ARG 91 HA ARG 91 16.076 5.191 11.766 647 HB2 ARG 91 HB2 ARG 91 17.092 5.950 9.069 648 HB3 ARG 91 HB3 ARG 91 17.680 6.412 10.660 649 HG2 ARG 91 HG2 ARG 91 18.123 3.810 9.223 650 HG3 ARG 91 HG3 ARG 91 19.325 5.025 9.661 651 HD2 ARG 91 HD2 ARG 91 18.423 4.536 12.092 652 HD3 ARG 91 HD3 ARG 91 17.951 3.003 11.360 653 HE ARG 91 HE ARG 91 20.651 3.630 10.753 654 HH11 ARG 91 HH11 ARG 91 18.590 2.469 13.308 655 HH12 ARG 91 HH12 ARG 91 19.848 1.572 14.092 656 HH21 ARG 91 HH21 ARG 91 22.315 2.453 11.775 657 HH22 ARG 91 HH22 ARG 91 21.967 1.563 13.219 658 H VAL 92 H VAL 92 15.406 5.548 8.284 659 HA VAL 92 HA VAL 92 13.535 7.653 8.729 660 HB VAL 92 HB VAL 92 14.099 6.030 6.244 661 HG11 VAL 92 HG11 VAL 92 12.961 8.670 5.851 662 HG12 VAL 92 HG12 VAL 92 12.486 7.119 5.155 663 HG13 VAL 92 HG13 VAL 92 11.877 7.601 6.739 664 HG21 VAL 92 HG21 VAL 92 15.963 7.239 6.153 665 HG22 VAL 92 HG22 VAL 92 14.955 8.670 5.933 666 HG23 VAL 92 HG23 VAL 92 15.476 8.199 7.551 667 H VAL 93 H VAL 93 11.722 7.144 9.824 668 HA VAL 93 HA VAL 93 10.319 4.664 9.391 669 HB VAL 93 HB VAL 93 8.649 5.599 10.978 670 HG11 VAL 93 HG11 VAL 93 11.500 5.827 11.935 671 HG12 VAL 93 HG12 VAL 93 10.078 5.515 12.931 672 HG13 VAL 93 HG13 VAL 93 10.609 4.317 11.749 673 HG21 VAL 93 HG21 VAL 93 9.149 7.709 12.121 674 HG22 VAL 93 HG22 VAL 93 10.513 7.972 11.035 675 HG23 VAL 93 HG23 VAL 93 8.869 7.955 10.398 Start of MODEL 3 1 H1 LEU 1 H LEU 1 1.423 0.559 0.434 2 HA LEU 1 HA LEU 1 1.588 0.504 -2.481 3 HB2 LEU 1 HB2 LEU 1 2.585 2.267 -0.725 4 HB3 LEU 1 HB3 LEU 1 3.958 1.167 -0.840 5 HG LEU 1 HG LEU 1 4.104 1.560 -3.233 6 HD11 LEU 1 HD11 LEU 1 2.018 1.949 -4.085 7 HD12 LEU 1 HD12 LEU 1 2.639 3.598 -4.015 8 HD13 LEU 1 HD13 LEU 1 1.551 3.012 -2.757 9 HD21 LEU 1 HD21 LEU 1 4.415 3.608 -1.210 10 HD22 LEU 1 HD22 LEU 1 4.146 4.300 -2.810 11 HD23 LEU 1 HD23 LEU 1 5.477 3.172 -2.549 12 H THR 2 H THR 2 2.077 -1.371 -3.396 13 HA THR 2 HA THR 2 3.696 -3.323 -1.940 14 HB THR 2 HB THR 2 3.087 -4.709 -4.101 15 HG1 THR 2 HG1 THR 2 1.885 -3.519 -5.385 16 HG21 THR 2 HG21 THR 2 2.344 -5.282 -1.858 17 HG22 THR 2 HG22 THR 2 1.006 -5.445 -2.996 18 HG23 THR 2 HG23 THR 2 1.094 -4.041 -1.933 19 H CYS 3 H CYS 3 5.524 -4.328 -2.877 20 HA CYS 3 HA CYS 3 7.459 -2.753 -3.935 21 HB2 CYS 3 HB2 CYS 3 6.989 -5.710 -4.268 22 HB3 CYS 3 HB3 CYS 3 8.421 -4.924 -4.923 23 H GLY 4 H GLY 4 4.807 -4.209 -5.650 24 HA2 GLY 4 HA2 GLY 4 5.671 -4.209 -8.265 25 HA3 GLY 4 HA3 GLY 4 4.021 -3.847 -7.780 26 H GLN 5 H GLN 5 3.688 -1.545 -6.989 27 HA GLN 5 HA GLN 5 4.381 0.232 -9.055 28 HB2 GLN 5 HB2 GLN 5 3.155 0.616 -6.336 29 HB3 GLN 5 HB3 GLN 5 3.496 1.986 -7.385 30 HG2 GLN 5 HG2 GLN 5 2.005 1.176 -9.056 31 HG3 GLN 5 HG3 GLN 5 1.801 -0.356 -8.208 32 HE21 GLN 5 HE21 GLN 5 0.212 -0.540 -6.767 33 HE22 GLN 5 HE22 GLN 5 -0.785 0.757 -6.212 34 H VAL 6 H VAL 6 5.778 -0.366 -5.893 35 HA VAL 6 HA VAL 6 7.335 1.821 -5.439 36 HB VAL 6 HB VAL 6 7.862 -1.092 -4.975 37 HG11 VAL 6 HG11 VAL 6 9.770 1.179 -4.471 38 HG12 VAL 6 HG12 VAL 6 9.861 -0.363 -3.618 39 HG13 VAL 6 HG13 VAL 6 10.063 -0.309 -5.369 40 HG21 VAL 6 HG21 VAL 6 7.253 1.300 -3.260 41 HG22 VAL 6 HG22 VAL 6 6.303 -0.172 -3.468 42 HG23 VAL 6 HG23 VAL 6 7.829 -0.225 -2.584 43 H THR 7 H THR 7 8.524 -1.039 -7.215 44 HA THR 7 HA THR 7 10.863 0.192 -8.164 45 HB THR 7 HB THR 7 9.674 -1.921 -9.865 46 HG1 THR 7 HG1 THR 7 10.598 -2.604 -7.271 47 HG21 THR 7 HG21 THR 7 12.334 -1.333 -8.598 48 HG22 THR 7 HG22 THR 7 11.923 -1.442 -10.310 49 HG23 THR 7 HG23 THR 7 11.991 -2.902 -9.324 50 H GLY 8 H GLY 8 7.668 -0.221 -9.653 51 HA2 GLY 8 HA2 GLY 8 8.235 0.766 -12.192 52 HA3 GLY 8 HA3 GLY 8 6.667 0.873 -11.405 53 H ALA 9 H ALA 9 7.652 2.501 -9.198 54 HA ALA 9 HA ALA 9 7.355 5.063 -10.438 55 HB1 ALA 9 HB1 ALA 9 7.975 5.707 -7.914 56 HB2 ALA 9 HB2 ALA 9 6.368 5.170 -8.406 57 HB3 ALA 9 HB3 ALA 9 7.495 4.027 -7.675 58 H LEU 10 H LEU 10 10.016 3.316 -8.901 59 HA LEU 10 HA LEU 10 11.842 5.524 -9.469 60 HB2 LEU 10 HB2 LEU 10 12.164 2.952 -7.938 61 HB3 LEU 10 HB3 LEU 10 13.494 4.064 -8.253 62 HG LEU 10 HG LEU 10 11.244 4.278 -6.337 63 HD11 LEU 10 HD11 LEU 10 13.998 5.464 -6.201 64 HD12 LEU 10 HD12 LEU 10 13.686 3.771 -5.822 65 HD13 LEU 10 HD13 LEU 10 12.911 5.042 -4.877 66 HD21 LEU 10 HD21 LEU 10 12.502 6.705 -7.612 67 HD22 LEU 10 HD22 LEU 10 11.364 6.697 -6.265 68 HD23 LEU 10 HD23 LEU 10 10.842 6.165 -7.864 69 H ALA 11 H ALA 11 10.589 3.364 -11.359 70 HA ALA 11 HA ALA 11 12.600 1.758 -12.410 71 HB1 ALA 11 HB1 ALA 11 11.003 2.605 -14.574 72 HB2 ALA 11 HB2 ALA 11 10.869 1.116 -13.638 73 HB3 ALA 11 HB3 ALA 11 9.959 2.547 -13.153 74 HA PRO 12 HA PRO 12 13.649 5.328 -15.504 75 HB2 PRO 12 HB2 PRO 12 12.654 7.788 -14.932 76 HB3 PRO 12 HB3 PRO 12 11.791 6.612 -15.929 77 HG2 PRO 12 HG2 PRO 12 11.423 7.271 -13.033 78 HG3 PRO 12 HG3 PRO 12 10.195 6.995 -14.282 79 HD2 PRO 12 HD2 PRO 12 10.892 5.098 -12.480 80 HD3 PRO 12 HD3 PRO 12 10.378 4.702 -14.132 81 H CYS 13 H CYS 13 13.912 5.177 -12.222 82 HA CYS 13 HA CYS 13 15.771 7.401 -11.927 83 HB2 CYS 13 HB2 CYS 13 14.813 5.347 -9.923 84 HB3 CYS 13 HB3 CYS 13 15.850 6.720 -9.551 85 H LEU 14 H LEU 14 15.759 3.930 -12.242 86 HA LEU 14 HA LEU 14 18.257 3.247 -11.286 87 HB2 LEU 14 HB2 LEU 14 16.741 2.180 -13.657 88 HB3 LEU 14 HB3 LEU 14 18.209 1.437 -13.026 89 HG LEU 14 HG LEU 14 15.532 1.663 -11.660 90 HD11 LEU 14 HD11 LEU 14 16.089 -0.902 -11.549 91 HD12 LEU 14 HD12 LEU 14 17.098 -0.518 -12.943 92 HD13 LEU 14 HD13 LEU 14 15.366 -0.189 -12.992 93 HD21 LEU 14 HD21 LEU 14 16.771 1.854 -9.786 94 HD22 LEU 14 HD22 LEU 14 18.237 1.256 -10.563 95 HD23 LEU 14 HD23 LEU 14 17.003 0.121 -10.013 96 H GLY 15 H GLY 15 17.427 5.067 -14.109 97 HA2 GLY 15 HA2 GLY 15 19.884 4.695 -15.517 98 HA3 GLY 15 HA3 GLY 15 18.692 5.950 -15.820 99 H TYR 16 H TYR 16 18.619 7.548 -13.786 100 HA TYR 16 HA TYR 16 20.902 9.098 -13.908 101 HB2 TYR 16 HB2 TYR 16 18.757 9.968 -13.130 102 HB3 TYR 16 HB3 TYR 16 18.856 8.971 -11.683 103 HD1 TYR 16 HD1 TYR 16 20.872 11.557 -13.482 104 HD2 TYR 16 HD2 TYR 16 19.599 9.974 -9.744 105 HE1 TYR 16 HE1 TYR 16 22.049 13.376 -12.318 106 HE2 TYR 16 HE2 TYR 16 20.771 11.789 -8.569 107 HH TYR 16 HH TYR 16 21.634 13.970 -8.944 108 H LEU 17 H LEU 17 20.059 6.558 -11.619 109 HA LEU 17 HA LEU 17 22.284 7.009 -9.889 110 HB2 LEU 17 HB2 LEU 17 20.772 4.429 -10.174 111 HB3 LEU 17 HB3 LEU 17 21.620 5.046 -8.757 112 HG LEU 17 HG LEU 17 19.214 6.463 -9.850 113 HD11 LEU 17 HD11 LEU 17 17.726 5.083 -8.826 114 HD12 LEU 17 HD12 LEU 17 18.893 4.530 -7.624 115 HD13 LEU 17 HD13 LEU 17 18.950 3.891 -9.267 116 HD21 LEU 17 HD21 LEU 17 20.978 6.702 -7.567 117 HD22 LEU 17 HD22 LEU 17 19.289 6.563 -7.080 118 HD23 LEU 17 HD23 LEU 17 19.784 7.838 -8.195 119 H ARG 18 H ARG 18 21.661 4.914 -12.649 120 HA ARG 18 HA ARG 18 24.307 3.707 -12.411 121 HB2 ARG 18 HB2 ARG 18 21.929 3.156 -14.175 122 HB3 ARG 18 HB3 ARG 18 23.498 2.421 -14.474 123 HG2 ARG 18 HG2 ARG 18 23.280 0.966 -12.785 124 HG3 ARG 18 HG3 ARG 18 22.530 2.157 -11.720 125 HD2 ARG 18 HD2 ARG 18 20.435 1.595 -12.351 126 HD3 ARG 18 HD3 ARG 18 20.907 1.293 -14.022 127 HE ARG 18 HE ARG 18 20.596 -0.643 -11.993 128 HH11 ARG 18 HH11 ARG 18 22.668 0.186 -14.665 129 HH12 ARG 18 HH12 ARG 18 23.146 -1.451 -14.971 130 HH21 ARG 18 HH21 ARG 18 21.218 -2.802 -12.386 131 HH22 ARG 18 HH22 ARG 18 22.320 -3.150 -13.675 132 H THR 19 H THR 19 23.434 6.562 -13.382 133 HA THR 19 HA THR 19 24.778 6.558 -15.984 134 HB THR 19 HB THR 19 23.052 8.568 -14.567 135 HG1 THR 19 HG1 THR 19 22.931 7.695 -17.262 136 HG21 THR 19 HG21 THR 19 23.537 10.061 -16.575 137 HG22 THR 19 HG22 THR 19 24.963 9.058 -16.839 138 HG23 THR 19 HG23 THR 19 24.790 9.967 -15.338 139 H ALA 20 H ALA 20 26.940 6.449 -15.583 140 HA ALA 20 HA ALA 20 28.247 7.834 -13.479 141 HB1 ALA 20 HB1 ALA 20 29.344 6.594 -15.998 142 HB2 ALA 20 HB2 ALA 20 30.327 7.200 -14.664 143 HB3 ALA 20 HB3 ALA 20 29.231 5.842 -14.406 144 H GLY 21 H GLY 21 29.096 9.833 -13.384 145 HA2 GLY 21 HA2 GLY 21 30.308 11.574 -14.740 146 HA3 GLY 21 HA3 GLY 21 28.939 11.472 -15.838 147 H SER 22 H SER 22 29.145 13.884 -15.258 148 HA SER 22 HA SER 22 27.741 14.498 -12.758 149 HB2 SER 22 HB2 SER 22 29.042 16.437 -14.681 150 HB3 SER 22 HB3 SER 22 28.497 16.769 -13.037 151 HG SER 22 HG SER 22 30.822 16.346 -13.361 152 H VAL 23 H VAL 23 25.652 14.981 -12.768 153 HA VAL 23 HA VAL 23 24.425 16.416 -14.940 154 HB VAL 23 HB VAL 23 22.647 14.673 -15.306 155 HG11 VAL 23 HG11 VAL 23 23.872 13.519 -16.993 156 HG12 VAL 23 HG12 VAL 23 24.550 15.144 -16.870 157 HG13 VAL 23 HG13 VAL 23 25.397 13.776 -16.146 158 HG21 VAL 23 HG21 VAL 23 22.683 12.682 -14.291 159 HG22 VAL 23 HG22 VAL 23 24.408 12.465 -14.591 160 HG23 VAL 23 HG23 VAL 23 23.866 13.395 -13.193 161 HA PRO 24 HA PRO 24 21.832 17.781 -11.665 162 HB2 PRO 24 HB2 PRO 24 19.642 18.557 -13.069 163 HB3 PRO 24 HB3 PRO 24 21.160 19.463 -13.078 164 HG2 PRO 24 HG2 PRO 24 20.100 17.523 -15.096 165 HG3 PRO 24 HG3 PRO 24 20.901 19.083 -15.358 166 HD2 PRO 24 HD2 PRO 24 22.199 16.720 -15.606 167 HD3 PRO 24 HD3 PRO 24 23.006 18.198 -15.044 168 H VAL 25 H VAL 25 19.963 17.259 -10.459 169 HA VAL 25 HA VAL 25 19.249 14.593 -10.331 170 HB VAL 25 HB VAL 25 18.069 17.093 -9.236 171 HG11 VAL 25 HG11 VAL 25 16.577 14.556 -9.628 172 HG12 VAL 25 HG12 VAL 25 16.384 15.399 -8.089 173 HG13 VAL 25 HG13 VAL 25 15.995 16.220 -9.601 174 HG21 VAL 25 HG21 VAL 25 19.908 15.952 -8.101 175 HG22 VAL 25 HG22 VAL 25 18.446 15.937 -7.116 176 HG23 VAL 25 HG23 VAL 25 18.936 14.485 -7.989 177 HA PRO 26 HA PRO 26 16.488 14.041 -13.739 178 HB2 PRO 26 HB2 PRO 26 15.425 11.669 -12.957 179 HB3 PRO 26 HB3 PRO 26 17.054 11.817 -13.626 180 HG2 PRO 26 HG2 PRO 26 16.193 11.608 -10.767 181 HG3 PRO 26 HG3 PRO 26 17.543 10.806 -11.590 182 HD2 PRO 26 HD2 PRO 26 17.881 12.993 -10.030 183 HD3 PRO 26 HD3 PRO 26 18.900 12.663 -11.446 184 H LEU 27 H LEU 27 14.667 15.173 -13.951 185 HA LEU 27 HA LEU 27 12.905 15.770 -11.830 186 HB2 LEU 27 HB2 LEU 27 13.127 17.244 -13.725 187 HB3 LEU 27 HB3 LEU 27 12.551 15.985 -14.815 188 HG LEU 27 HG LEU 27 10.373 16.109 -13.414 189 HD11 LEU 27 HD11 LEU 27 11.693 17.732 -11.807 190 HD12 LEU 27 HD12 LEU 27 9.968 17.934 -12.110 191 HD13 LEU 27 HD13 LEU 27 11.136 18.944 -12.962 192 HD21 LEU 27 HD21 LEU 27 11.354 18.030 -15.479 193 HD22 LEU 27 HD22 LEU 27 9.745 18.235 -14.785 194 HD23 LEU 27 HD23 LEU 27 10.162 16.739 -15.622 195 H THR 28 H THR 28 12.249 13.854 -14.770 196 HA THR 28 HA THR 28 9.808 12.822 -14.127 197 HB THR 28 HB THR 28 10.497 10.757 -15.440 198 HG1 THR 28 HG1 THR 28 12.572 10.475 -15.682 199 HG21 THR 28 HG21 THR 28 11.317 12.717 -17.328 200 HG22 THR 28 HG22 THR 28 10.112 13.450 -16.269 201 HG23 THR 28 HG23 THR 28 9.732 11.967 -17.144 202 H CYS 29 H CYS 29 12.946 11.765 -12.939 203 HA CYS 29 HA CYS 29 12.019 9.402 -11.662 204 HB2 CYS 29 HB2 CYS 29 14.344 9.532 -12.145 205 HB3 CYS 29 HB3 CYS 29 14.501 11.082 -11.324 206 H CYS 30 H CYS 30 12.667 12.694 -10.506 207 HA CYS 30 HA CYS 30 12.164 12.305 -7.801 208 HB2 CYS 30 HB2 CYS 30 11.556 14.759 -9.464 209 HB3 CYS 30 HB3 CYS 30 11.686 14.718 -7.709 210 H ASN 31 H ASN 31 9.949 12.660 -10.482 211 HA ASN 31 HA ASN 31 7.597 13.285 -9.145 212 HB2 ASN 31 HB2 ASN 31 8.264 11.909 -11.697 213 HB3 ASN 31 HB3 ASN 31 6.621 11.723 -11.089 214 HD21 ASN 31 HD21 ASN 31 8.684 14.531 -10.672 215 HD22 ASN 31 HD22 ASN 31 7.718 15.612 -11.611 216 H GLY 32 H GLY 32 9.142 10.143 -9.647 217 HA2 GLY 32 HA2 GLY 32 7.003 8.687 -8.383 218 HA3 GLY 32 HA3 GLY 32 8.559 8.038 -8.878 219 H VAL 33 H VAL 33 10.366 9.432 -7.468 220 HA VAL 33 HA VAL 33 10.332 8.243 -4.951 221 HB VAL 33 HB VAL 33 11.863 10.723 -5.748 222 HG11 VAL 33 HG11 VAL 33 12.875 10.644 -3.768 223 HG12 VAL 33 HG12 VAL 33 11.640 9.487 -3.264 224 HG13 VAL 33 HG13 VAL 33 13.175 8.913 -3.919 225 HG21 VAL 33 HG21 VAL 33 12.890 7.904 -5.840 226 HG22 VAL 33 HG22 VAL 33 12.079 8.640 -7.222 227 HG23 VAL 33 HG23 VAL 33 13.564 9.351 -6.591 228 H ARG 34 H ARG 34 9.488 11.556 -5.897 229 HA ARG 34 HA ARG 34 9.013 12.564 -3.326 230 HB2 ARG 34 HB2 ARG 34 9.216 14.089 -5.157 231 HB3 ARG 34 HB3 ARG 34 7.879 13.332 -6.014 232 HG2 ARG 34 HG2 ARG 34 6.854 15.197 -5.186 233 HG3 ARG 34 HG3 ARG 34 6.519 14.044 -3.892 234 HD2 ARG 34 HD2 ARG 34 8.310 14.915 -2.565 235 HD3 ARG 34 HD3 ARG 34 8.870 15.927 -3.895 236 HE ARG 34 HE ARG 34 6.731 16.496 -2.069 237 HH11 ARG 34 HH11 ARG 34 8.009 17.111 -5.248 238 HH12 ARG 34 HH12 ARG 34 7.209 18.639 -5.416 239 HH21 ARG 34 HH21 ARG 34 5.673 18.506 -2.278 240 HH22 ARG 34 HH22 ARG 34 5.882 19.432 -3.726 241 H GLY 35 H GLY 35 6.656 11.353 -5.722 242 HA2 GLY 35 HA2 GLY 35 4.405 11.505 -4.064 243 HA3 GLY 35 HA3 GLY 35 4.566 10.445 -5.457 244 H LEU 36 H LEU 36 7.017 9.271 -4.035 245 HA LEU 36 HA LEU 36 5.618 7.093 -2.828 246 HB2 LEU 36 HB2 LEU 36 8.469 7.789 -3.329 247 HB3 LEU 36 HB3 LEU 36 8.104 6.524 -2.158 248 HG LEU 36 HG LEU 36 7.076 6.450 -4.985 249 HD11 LEU 36 HD11 LEU 36 9.164 4.604 -4.687 250 HD12 LEU 36 HD12 LEU 36 9.780 6.142 -4.085 251 HD13 LEU 36 HD13 LEU 36 9.125 6.034 -5.719 252 HD21 LEU 36 HD21 LEU 36 5.899 5.008 -3.470 253 HD22 LEU 36 HD22 LEU 36 7.413 4.384 -2.815 254 HD23 LEU 36 HD23 LEU 36 6.955 4.020 -4.480 255 H ASN 37 H ASN 37 7.933 9.486 -1.549 256 HA ASN 37 HA ASN 37 7.771 8.726 1.131 257 HB2 ASN 37 HB2 ASN 37 9.522 10.168 0.816 258 HB3 ASN 37 HB3 ASN 37 8.632 11.170 -0.327 259 HD21 ASN 37 HD21 ASN 37 9.692 10.816 2.859 260 HD22 ASN 37 HD22 ASN 37 8.867 12.170 3.544 261 H ASN 38 H ASN 38 5.668 10.723 -0.814 262 HA ASN 38 HA ASN 38 4.142 11.609 1.497 263 HB2 ASN 38 HB2 ASN 38 4.609 13.085 -0.506 264 HB3 ASN 38 HB3 ASN 38 3.500 12.067 -1.419 265 HD21 ASN 38 HD21 ASN 38 2.054 13.721 -1.785 266 HD22 ASN 38 HD22 ASN 38 1.056 14.379 -0.538 267 H ALA 39 H ALA 39 3.930 9.295 -1.116 268 HA ALA 39 HA ALA 39 1.195 8.664 -0.911 269 HB1 ALA 39 HB1 ALA 39 2.020 6.410 -1.884 270 HB2 ALA 39 HB2 ALA 39 2.198 7.879 -2.844 271 HB3 ALA 39 HB3 ALA 39 3.585 7.217 -1.980 272 H ALA 40 H ALA 40 4.047 7.347 0.721 273 HA ALA 40 HA ALA 40 2.716 5.261 2.081 274 HB1 ALA 40 HB1 ALA 40 4.697 5.061 3.408 275 HB2 ALA 40 HB2 ALA 40 5.180 5.427 1.752 276 HB3 ALA 40 HB3 ALA 40 5.209 6.693 2.980 277 H ARG 41 H ARG 41 0.991 5.677 3.325 278 HA ARG 41 HA ARG 41 1.074 7.972 5.150 279 HB2 ARG 41 HB2 ARG 41 -0.886 7.822 3.689 280 HB3 ARG 41 HB3 ARG 41 -1.242 6.218 4.315 281 HG2 ARG 41 HG2 ARG 41 -2.058 7.013 6.289 282 HG3 ARG 41 HG3 ARG 41 -1.046 8.458 6.251 283 HD2 ARG 41 HD2 ARG 41 -3.268 8.043 4.278 284 HD3 ARG 41 HD3 ARG 41 -3.569 8.736 5.871 285 HE ARG 41 HE ARG 41 -1.448 10.079 4.535 286 HH11 ARG 41 HH11 ARG 41 -4.915 9.789 4.662 287 HH12 ARG 41 HH12 ARG 41 -5.202 11.390 4.065 288 HH21 ARG 41 HH21 ARG 41 -1.812 12.189 3.750 289 HH22 ARG 41 HH22 ARG 41 -3.436 12.754 3.546 290 H THR 42 H THR 42 1.423 4.598 5.085 291 HA THR 42 HA THR 42 0.968 4.430 7.993 292 HB THR 42 HB THR 42 0.246 2.259 7.817 293 HG1 THR 42 HG1 THR 42 0.789 0.998 5.836 294 HG21 THR 42 HG21 THR 42 -0.486 2.880 4.995 295 HG22 THR 42 HG22 THR 42 -1.065 3.950 6.272 296 HG23 THR 42 HG23 THR 42 -1.479 2.237 6.302 297 H THR 43 H THR 43 2.574 3.689 9.300 298 HA THR 43 HA THR 43 5.219 4.013 8.654 299 HB THR 43 HB THR 43 4.061 2.141 10.727 300 HG1 THR 43 HG1 THR 43 5.169 4.734 11.090 301 HG21 THR 43 HG21 THR 43 6.392 1.569 10.214 302 HG22 THR 43 HG22 THR 43 6.242 2.275 11.823 303 HG23 THR 43 HG23 THR 43 6.862 3.246 10.489 304 H ILE 44 H ILE 44 3.323 1.022 8.518 305 HA ILE 44 HA ILE 44 5.386 -0.742 7.871 306 HB ILE 44 HB ILE 44 2.439 -0.759 7.516 307 HG12 ILE 44 HG12 ILE 44 4.526 -2.183 9.029 308 HG13 ILE 44 HG13 ILE 44 2.864 -1.811 9.476 309 HG21 ILE 44 HG21 ILE 44 4.266 -2.678 6.078 310 HG22 ILE 44 HG22 ILE 44 2.525 -2.879 6.266 311 HG23 ILE 44 HG23 ILE 44 3.160 -1.522 5.335 312 HD11 ILE 44 HD11 ILE 44 3.160 -4.188 9.380 313 HD12 ILE 44 HD12 ILE 44 2.110 -3.683 8.056 314 HD13 ILE 44 HD13 ILE 44 3.798 -4.081 7.739 315 H ASP 45 H ASP 45 3.119 0.907 5.665 316 HA ASP 45 HA ASP 45 4.186 0.031 3.265 317 HB2 ASP 45 HB2 ASP 45 2.705 2.516 4.060 318 HB3 ASP 45 HB3 ASP 45 3.318 2.344 2.418 319 H ARG 46 H ARG 46 5.242 2.648 5.360 320 HA ARG 46 HA ARG 46 7.060 3.854 3.577 321 HB2 ARG 46 HB2 ARG 46 6.913 3.783 6.588 322 HB3 ARG 46 HB3 ARG 46 8.144 4.695 5.725 323 HG2 ARG 46 HG2 ARG 46 6.185 5.814 4.508 324 HG3 ARG 46 HG3 ARG 46 5.185 5.142 5.798 325 HD2 ARG 46 HD2 ARG 46 5.761 7.335 6.473 326 HD3 ARG 46 HD3 ARG 46 6.760 6.242 7.430 327 HE ARG 46 HE ARG 46 8.339 6.837 5.314 328 HH11 ARG 46 HH11 ARG 46 6.561 8.771 7.599 329 HH12 ARG 46 HH12 ARG 46 7.670 10.101 7.534 330 HH21 ARG 46 HH21 ARG 46 9.806 8.581 5.220 331 HH22 ARG 46 HH22 ARG 46 9.515 9.992 6.180 332 H ARG 47 H ARG 47 7.582 1.461 6.164 333 HA ARG 47 HA ARG 47 10.343 1.120 5.638 334 HB2 ARG 47 HB2 ARG 47 10.052 -0.994 6.989 335 HB3 ARG 47 HB3 ARG 47 9.545 0.489 7.786 336 HG2 ARG 47 HG2 ARG 47 7.239 -0.006 7.388 337 HG3 ARG 47 HG3 ARG 47 7.664 -1.391 6.379 338 HD2 ARG 47 HD2 ARG 47 8.526 -1.208 9.248 339 HD3 ARG 47 HD3 ARG 47 6.941 -1.836 8.799 340 HE ARG 47 HE ARG 47 8.943 -3.146 7.308 341 HH11 ARG 47 HH11 ARG 47 7.655 -2.950 10.537 342 HH12 ARG 47 HH12 ARG 47 8.109 -4.569 10.956 343 HH21 ARG 47 HH21 ARG 47 9.545 -5.279 7.848 344 HH22 ARG 47 HH22 ARG 47 9.185 -5.892 9.426 345 H THR 48 H THR 48 7.442 -0.465 4.449 346 HA THR 48 HA THR 48 8.576 -2.708 3.248 347 HB THR 48 HB THR 48 6.159 -1.084 2.452 348 HG1 THR 48 HG1 THR 48 6.034 -2.230 4.441 349 HG21 THR 48 HG21 THR 48 7.351 -3.535 1.222 350 HG22 THR 48 HG22 THR 48 6.599 -2.142 0.444 351 HG23 THR 48 HG23 THR 48 5.599 -3.343 1.260 352 H ALA 49 H ALA 49 7.893 0.475 1.795 353 HA ALA 49 HA ALA 49 9.151 -0.167 -0.682 354 HB1 ALA 49 HB1 ALA 49 8.368 2.497 0.493 355 HB2 ALA 49 HB2 ALA 49 8.908 2.242 -1.167 356 HB3 ALA 49 HB3 ALA 49 7.409 1.503 -0.604 357 H CYS 50 H CYS 50 10.106 1.926 2.042 358 HA CYS 50 HA CYS 50 12.536 2.819 1.166 359 HB2 CYS 50 HB2 CYS 50 11.247 3.120 3.458 360 HB3 CYS 50 HB3 CYS 50 12.360 1.864 3.991 361 H ASN 51 H ASN 51 11.743 -0.366 2.413 362 HA ASN 51 HA ASN 51 14.510 -1.225 2.390 363 HB2 ASN 51 HB2 ASN 51 11.934 -2.708 2.950 364 HB3 ASN 51 HB3 ASN 51 13.533 -3.441 3.042 365 HD21 ASN 51 HD21 ASN 51 12.461 -3.771 5.262 366 HD22 ASN 51 HD22 ASN 51 12.862 -2.591 6.459 367 H CYS 52 H CYS 52 11.546 -2.444 0.816 368 HA CYS 52 HA CYS 52 12.625 -4.167 -0.990 369 HB2 CYS 52 HB2 CYS 52 10.158 -3.494 -0.608 370 HB3 CYS 52 HB3 CYS 52 10.448 -2.275 -1.845 371 H LEU 53 H LEU 53 12.885 -0.721 -0.998 372 HA LEU 53 HA LEU 53 13.933 -0.684 -3.726 373 HB2 LEU 53 HB2 LEU 53 13.071 1.415 -1.780 374 HB3 LEU 53 HB3 LEU 53 14.125 1.840 -3.126 375 HG LEU 53 HG LEU 53 11.264 0.975 -3.159 376 HD11 LEU 53 HD11 LEU 53 10.979 3.110 -3.673 377 HD12 LEU 53 HD12 LEU 53 11.962 2.894 -5.121 378 HD13 LEU 53 HD13 LEU 53 12.722 3.373 -3.603 379 HD21 LEU 53 HD21 LEU 53 13.320 0.505 -5.280 380 HD22 LEU 53 HD22 LEU 53 11.650 0.865 -5.721 381 HD23 LEU 53 HD23 LEU 53 12.016 -0.549 -4.730 382 H LYS 54 H LYS 54 14.971 1.075 -0.817 383 HA LYS 54 HA LYS 54 17.575 1.488 -1.409 384 HB2 LYS 54 HB2 LYS 54 16.506 0.660 1.296 385 HB3 LYS 54 HB3 LYS 54 18.052 1.449 1.016 386 HG2 LYS 54 HG2 LYS 54 15.430 2.678 0.218 387 HG3 LYS 54 HG3 LYS 54 16.170 2.927 1.801 388 HD2 LYS 54 HD2 LYS 54 17.048 4.726 0.716 389 HD3 LYS 54 HD3 LYS 54 18.273 3.529 0.287 390 HE2 LYS 54 HE2 LYS 54 17.629 3.454 -1.884 391 HE3 LYS 54 HE3 LYS 54 15.927 3.707 -1.500 392 HZ1 LYS 54 HZ1 LYS 54 17.421 6.021 -0.867 393 HZ2 LYS 54 HZ2 LYS 54 16.137 5.849 -1.955 394 HZ3 LYS 54 HZ3 LYS 54 17.724 5.573 -2.470 395 H GLN 55 H GLN 55 16.210 -1.508 -0.119 396 HA GLN 55 HA GLN 55 18.580 -2.903 0.332 397 HB2 GLN 55 HB2 GLN 55 16.207 -3.580 0.959 398 HB3 GLN 55 HB3 GLN 55 16.041 -4.167 -0.690 399 HG2 GLN 55 HG2 GLN 55 17.645 -5.842 -0.378 400 HG3 GLN 55 HG3 GLN 55 18.262 -5.094 1.094 401 HE21 GLN 55 HE21 GLN 55 14.908 -5.660 0.180 402 HE22 GLN 55 HE22 GLN 55 14.545 -6.739 1.479 403 H THR 56 H THR 56 16.531 -2.871 -2.581 404 HA THR 56 HA THR 56 18.246 -4.522 -4.115 405 HB THR 56 HB THR 56 15.998 -2.660 -4.836 406 HG1 THR 56 HG1 THR 56 16.418 -5.442 -4.663 407 HG21 THR 56 HG21 THR 56 17.487 -2.456 -6.701 408 HG22 THR 56 HG22 THR 56 16.200 -3.569 -7.165 409 HG23 THR 56 HG23 THR 56 17.788 -4.193 -6.720 410 H ALA 57 H ALA 57 18.014 -1.044 -3.657 411 HA ALA 57 HA ALA 57 19.703 -0.256 -5.769 412 HB1 ALA 57 HB1 ALA 57 19.941 1.517 -3.525 413 HB2 ALA 57 HB2 ALA 57 19.127 1.770 -5.069 414 HB3 ALA 57 HB3 ALA 57 18.262 1.016 -3.729 415 H ASN 58 H ASN 58 20.380 -0.939 -2.349 416 HA ASN 58 HA ASN 58 23.135 -0.343 -2.456 417 HB2 ASN 58 HB2 ASN 58 21.474 -0.802 -0.429 418 HB3 ASN 58 HB3 ASN 58 22.139 -2.427 -0.568 419 HD21 ASN 58 HD21 ASN 58 22.461 0.377 1.020 420 HD22 ASN 58 HD22 ASN 58 24.140 0.315 1.423 421 H ALA 59 H ALA 59 21.294 -3.165 -3.320 422 HA ALA 59 HA ALA 59 23.555 -4.939 -3.425 423 HB1 ALA 59 HB1 ALA 59 20.774 -5.257 -4.548 424 HB2 ALA 59 HB2 ALA 59 21.991 -6.529 -4.433 425 HB3 ALA 59 HB3 ALA 59 21.328 -5.808 -2.966 426 H ILE 60 H ILE 60 22.131 -2.625 -5.522 427 HA ILE 60 HA ILE 60 22.964 -3.732 -8.005 428 HB ILE 60 HB ILE 60 22.200 -0.933 -7.196 429 HG12 ILE 60 HG12 ILE 60 20.750 -2.655 -9.169 430 HG13 ILE 60 HG13 ILE 60 20.565 -2.981 -7.449 431 HG21 ILE 60 HG21 ILE 60 23.637 -0.484 -8.962 432 HG22 ILE 60 HG22 ILE 60 23.209 -1.965 -9.817 433 HG23 ILE 60 HG23 ILE 60 22.070 -0.620 -9.758 434 HD11 ILE 60 HD11 ILE 60 20.233 -0.194 -7.873 435 HD12 ILE 60 HD12 ILE 60 19.227 -1.068 -9.029 436 HD13 ILE 60 HD13 ILE 60 19.058 -1.378 -7.301 437 H ALA 61 H ALA 61 25.027 -4.092 -8.485 438 HA ALA 61 HA ALA 61 27.227 -2.842 -7.260 439 HB1 ALA 61 HB1 ALA 61 26.797 -4.901 -9.184 440 HB2 ALA 61 HB2 ALA 61 28.044 -3.808 -9.785 441 HB3 ALA 61 HB3 ALA 61 28.231 -4.577 -8.209 442 H ASP 62 H ASP 62 25.080 -1.600 -9.481 443 HA ASP 62 HA ASP 62 27.065 0.332 -10.490 444 HB2 ASP 62 HB2 ASP 62 24.412 -0.421 -11.735 445 HB3 ASP 62 HB3 ASP 62 25.596 0.698 -12.404 446 H LEU 63 H LEU 63 25.504 0.334 -7.945 447 HA LEU 63 HA LEU 63 23.657 2.551 -8.295 448 HB2 LEU 63 HB2 LEU 63 22.927 0.879 -6.785 449 HB3 LEU 63 HB3 LEU 63 24.468 0.880 -5.931 450 HG LEU 63 HG LEU 63 23.845 3.312 -5.299 451 HD11 LEU 63 HD11 LEU 63 21.246 2.221 -6.311 452 HD12 LEU 63 HD12 LEU 63 21.988 3.791 -6.614 453 HD13 LEU 63 HD13 LEU 63 21.291 3.436 -5.033 454 HD21 LEU 63 HD21 LEU 63 21.983 1.603 -3.853 455 HD22 LEU 63 HD22 LEU 63 23.416 2.458 -3.281 456 HD23 LEU 63 HD23 LEU 63 23.579 0.877 -4.047 457 H ASN 64 H ASN 64 24.641 4.457 -8.614 458 HA ASN 64 HA ASN 64 27.136 5.137 -7.373 459 HB2 ASN 64 HB2 ASN 64 26.043 5.951 -9.651 460 HB3 ASN 64 HB3 ASN 64 25.393 7.218 -8.616 461 HD21 ASN 64 HD21 ASN 64 27.154 7.703 -10.711 462 HD22 ASN 64 HD22 ASN 64 28.645 8.283 -10.058 463 H LEU 65 H LEU 65 26.695 4.981 -5.143 464 HA LEU 65 HA LEU 65 24.686 5.998 -3.647 465 HB2 LEU 65 HB2 LEU 65 27.606 6.289 -2.960 466 HB3 LEU 65 HB3 LEU 65 26.258 6.283 -1.824 467 HG LEU 65 HG LEU 65 27.578 4.018 -3.226 468 HD11 LEU 65 HD11 LEU 65 27.734 3.119 -1.134 469 HD12 LEU 65 HD12 LEU 65 26.251 3.888 -0.569 470 HD13 LEU 65 HD13 LEU 65 27.730 4.835 -0.726 471 HD21 LEU 65 HD21 LEU 65 25.455 3.582 -4.068 472 HD22 LEU 65 HD22 LEU 65 24.648 4.210 -2.631 473 HD23 LEU 65 HD23 LEU 65 25.491 2.661 -2.564 474 H ASN 66 H ASN 66 26.993 7.812 -5.464 475 HA ASN 66 HA ASN 66 26.658 10.296 -4.097 476 HB2 ASN 66 HB2 ASN 66 27.928 9.413 -6.651 477 HB3 ASN 66 HB3 ASN 66 27.572 11.125 -6.448 478 HD21 ASN 66 HD21 ASN 66 30.059 10.840 -6.732 479 HD22 ASN 66 HD22 ASN 66 30.952 10.821 -5.253 480 H ALA 67 H ALA 67 25.408 9.023 -7.179 481 HA ALA 67 HA ALA 67 23.659 11.271 -7.560 482 HB1 ALA 67 HB1 ALA 67 24.026 10.525 -9.635 483 HB2 ALA 67 HB2 ALA 67 24.455 8.907 -9.078 484 HB3 ALA 67 HB3 ALA 67 22.760 9.347 -9.286 485 H ALA 68 H ALA 68 23.451 8.167 -6.045 486 HA ALA 68 HA ALA 68 20.550 8.155 -5.997 487 HB1 ALA 68 HB1 ALA 68 20.731 5.977 -5.541 488 HB2 ALA 68 HB2 ALA 68 22.446 6.169 -5.904 489 HB3 ALA 68 HB3 ALA 68 21.883 6.257 -4.235 490 H ALA 69 H ALA 69 23.078 9.449 -4.140 491 HA ALA 69 HA ALA 69 21.674 9.399 -1.612 492 HB1 ALA 69 HB1 ALA 69 24.277 10.565 -2.535 493 HB2 ALA 69 HB2 ALA 69 23.602 10.964 -0.954 494 HB3 ALA 69 HB3 ALA 69 23.988 9.289 -1.351 495 H GLY 70 H GLY 70 22.606 11.877 -3.995 496 HA2 GLY 70 HA2 GLY 70 21.146 13.943 -2.620 497 HA3 GLY 70 HA3 GLY 70 21.934 14.085 -4.184 498 H LEU 71 H LEU 71 20.593 11.909 -5.451 499 HA LEU 71 HA LEU 71 18.467 13.115 -6.651 500 HB2 LEU 71 HB2 LEU 71 19.058 11.210 -7.741 501 HB3 LEU 71 HB3 LEU 71 19.272 10.295 -6.250 502 HG LEU 71 HG LEU 71 16.661 10.420 -6.142 503 HD11 LEU 71 HD11 LEU 71 15.504 10.881 -8.033 504 HD12 LEU 71 HD12 LEU 71 16.801 10.336 -9.096 505 HD13 LEU 71 HD13 LEU 71 16.895 11.924 -8.333 506 HD21 LEU 71 HD21 LEU 71 17.604 8.592 -8.280 507 HD22 LEU 71 HD22 LEU 71 16.637 8.256 -6.843 508 HD23 LEU 71 HD23 LEU 71 18.382 8.476 -6.701 509 HA PRO 72 HA PRO 72 15.250 11.111 -3.695 510 HB2 PRO 72 HB2 PRO 72 16.166 9.609 -1.627 511 HB3 PRO 72 HB3 PRO 72 15.833 8.938 -3.229 512 HG2 PRO 72 HG2 PRO 72 18.448 9.760 -2.026 513 HG3 PRO 72 HG3 PRO 72 18.062 8.320 -2.985 514 HD2 PRO 72 HD2 PRO 72 19.286 10.491 -4.044 515 HD3 PRO 72 HD3 PRO 72 18.183 9.464 -4.983 516 H ALA 73 H ALA 73 18.287 12.027 -2.130 517 HA ALA 73 HA ALA 73 17.212 13.033 0.259 518 HB1 ALA 73 HB1 ALA 73 19.339 14.332 0.403 519 HB2 ALA 73 HB2 ALA 73 19.558 12.606 0.106 520 HB3 ALA 73 HB3 ALA 73 19.736 13.759 -1.218 521 H LYS 74 H LYS 74 16.868 14.161 -2.890 522 HA LYS 74 HA LYS 74 15.943 16.770 -1.893 523 HB2 LYS 74 HB2 LYS 74 17.680 16.180 -4.270 524 HB3 LYS 74 HB3 LYS 74 16.645 17.602 -4.255 525 HG2 LYS 74 HG2 LYS 74 17.816 18.592 -2.512 526 HG3 LYS 74 HG3 LYS 74 18.535 17.064 -1.999 527 HD2 LYS 74 HD2 LYS 74 20.073 18.681 -3.198 528 HD3 LYS 74 HD3 LYS 74 20.022 17.036 -3.835 529 HE2 LYS 74 HE2 LYS 74 19.966 18.806 -5.585 530 HE3 LYS 74 HE3 LYS 74 18.588 17.708 -5.630 531 HZ1 LYS 74 HZ1 LYS 74 17.555 19.561 -4.109 532 HZ2 LYS 74 HZ2 LYS 74 17.524 19.694 -5.794 533 HZ3 LYS 74 HZ3 LYS 74 18.686 20.540 -4.901 534 H CYS 75 H CYS 75 15.909 14.895 -4.931 535 HA CYS 75 HA CYS 75 13.872 15.561 -6.334 536 HB2 CYS 75 HB2 CYS 75 14.514 12.851 -5.294 537 HB3 CYS 75 HB3 CYS 75 12.976 13.043 -6.130 538 H GLY 76 H GLY 76 13.240 13.891 -3.245 539 HA2 GLY 76 HA2 GLY 76 10.946 15.560 -2.747 540 HA3 GLY 76 HA3 GLY 76 10.521 13.905 -3.159 541 H VAL 77 H VAL 77 12.998 12.883 -1.870 542 HA VAL 77 HA VAL 77 11.904 12.649 0.794 543 HB VAL 77 HB VAL 77 14.513 11.476 -0.145 544 HG11 VAL 77 HG11 VAL 77 14.348 11.081 2.119 545 HG12 VAL 77 HG12 VAL 77 12.588 10.950 2.077 546 HG13 VAL 77 HG13 VAL 77 13.587 9.636 1.455 547 HG21 VAL 77 HG21 VAL 77 12.118 11.057 -1.435 548 HG22 VAL 77 HG22 VAL 77 13.509 9.973 -1.460 549 HG23 VAL 77 HG23 VAL 77 12.205 9.708 -0.302 550 H ASN 78 H ASN 78 13.018 15.241 -0.092 551 HA ASN 78 HA ASN 78 15.302 16.232 0.537 552 HB2 ASN 78 HB2 ASN 78 13.175 17.556 0.536 553 HB3 ASN 78 HB3 ASN 78 12.941 17.095 2.220 554 HD21 ASN 78 HD21 ASN 78 15.738 18.183 0.325 555 HD22 ASN 78 HD22 ASN 78 16.161 19.484 1.381 556 H ILE 79 H ILE 79 13.281 14.875 3.130 557 HA ILE 79 HA ILE 79 14.505 15.212 5.410 558 HB ILE 79 HB ILE 79 13.948 12.448 4.328 559 HG12 ILE 79 HG12 ILE 79 11.957 13.094 6.110 560 HG13 ILE 79 HG13 ILE 79 12.269 14.639 5.326 561 HG21 ILE 79 HG21 ILE 79 15.446 12.721 6.421 562 HG22 ILE 79 HG22 ILE 79 13.948 13.178 7.229 563 HG23 ILE 79 HG23 ILE 79 14.094 11.589 6.477 564 HD11 ILE 79 HD11 ILE 79 10.479 13.113 4.332 565 HD12 ILE 79 HD12 ILE 79 11.657 13.832 3.233 566 HD13 ILE 79 HD13 ILE 79 11.826 12.148 3.729 567 HA PRO 80 HA PRO 80 18.839 14.487 5.040 568 HB2 PRO 80 HB2 PRO 80 19.429 14.266 7.681 569 HB3 PRO 80 HB3 PRO 80 19.059 15.811 6.905 570 HG2 PRO 80 HG2 PRO 80 17.283 14.037 8.535 571 HG3 PRO 80 HG3 PRO 80 17.446 15.802 8.579 572 HD2 PRO 80 HD2 PRO 80 15.415 14.559 7.290 573 HD3 PRO 80 HD3 PRO 80 16.099 16.099 6.732 574 H TYR 81 H TYR 81 18.645 12.400 4.027 575 HA TYR 81 HA TYR 81 19.693 10.285 5.661 576 HB2 TYR 81 HB2 TYR 81 16.849 10.281 4.805 577 HB3 TYR 81 HB3 TYR 81 17.731 8.767 4.637 578 HD1 TYR 81 HD2 TYR 81 19.006 7.942 6.745 579 HD2 TYR 81 HD1 TYR 81 15.888 10.835 6.848 580 HE1 TYR 81 HE2 TYR 81 18.650 7.465 9.132 581 HE2 TYR 81 HE1 TYR 81 15.524 10.367 9.235 582 HH TYR 81 HH TYR 81 16.169 7.968 10.759 583 H LYS 82 H LYS 82 20.939 8.940 4.485 584 HA LYS 82 HA LYS 82 20.764 9.154 1.550 585 HB2 LYS 82 HB2 LYS 82 22.857 10.003 3.042 586 HB3 LYS 82 HB3 LYS 82 23.339 8.336 2.755 587 HG2 LYS 82 HG2 LYS 82 23.322 8.646 0.403 588 HG3 LYS 82 HG3 LYS 82 22.536 10.219 0.553 589 HD2 LYS 82 HD2 LYS 82 25.176 9.754 1.873 590 HD3 LYS 82 HD3 LYS 82 25.112 10.069 0.137 591 HE2 LYS 82 HE2 LYS 82 23.690 12.101 0.734 592 HE3 LYS 82 HE3 LYS 82 24.215 11.837 2.396 593 HZ1 LYS 82 HZ1 LYS 82 25.551 13.255 0.474 594 HZ2 LYS 82 HZ2 LYS 82 26.409 11.801 0.575 595 HZ3 LYS 82 HZ3 LYS 82 26.178 12.745 1.960 596 H ILE 83 H ILE 83 22.092 7.212 0.549 597 HA ILE 83 HA ILE 83 20.646 4.857 1.223 598 HB ILE 83 HB ILE 83 22.753 5.539 -0.770 599 HG12 ILE 83 HG12 ILE 83 21.055 4.498 -2.291 600 HG13 ILE 83 HG13 ILE 83 20.025 4.237 -0.887 601 HG21 ILE 83 HG21 ILE 83 22.096 2.763 0.161 602 HG22 ILE 83 HG22 ILE 83 22.688 3.083 -1.468 603 HG23 ILE 83 HG23 ILE 83 23.679 3.503 -0.071 604 HD11 ILE 83 HD11 ILE 83 21.021 6.976 -1.530 605 HD12 ILE 83 HD12 ILE 83 19.635 6.299 -2.387 606 HD13 ILE 83 HD13 ILE 83 19.583 6.486 -0.634 607 H SER 84 H SER 84 24.083 5.742 1.496 608 HA SER 84 HA SER 84 25.779 4.904 2.761 609 HB2 SER 84 HB2 SER 84 24.603 3.641 4.930 610 HB3 SER 84 HB3 SER 84 25.046 5.346 4.843 611 HG SER 84 HG SER 84 22.940 5.416 5.327 612 HA PRO 85 HA PRO 85 26.413 0.691 1.714 613 HB2 PRO 85 HB2 PRO 85 28.276 -0.049 3.545 614 HB3 PRO 85 HB3 PRO 85 28.636 1.025 2.188 615 HG2 PRO 85 HG2 PRO 85 28.058 1.709 5.045 616 HG3 PRO 85 HG3 PRO 85 29.293 2.378 3.962 617 HD2 PRO 85 HD2 PRO 85 26.966 3.660 4.485 618 HD3 PRO 85 HD3 PRO 85 27.797 3.789 2.921 619 H SER 86 H SER 86 24.973 1.586 4.622 620 HA SER 86 HA SER 86 24.063 -1.165 5.062 621 HB2 SER 86 HB2 SER 86 24.225 -0.758 7.552 622 HB3 SER 86 HB3 SER 86 25.773 -0.927 6.724 623 HG SER 86 HG SER 86 26.251 1.038 7.277 624 H THR 87 H THR 87 22.088 -0.594 4.136 625 HA THR 87 HA THR 87 20.568 1.667 4.874 626 HB THR 87 HB THR 87 19.141 -0.787 3.987 627 HG1 THR 87 HG1 THR 87 21.146 0.554 2.488 628 HG21 THR 87 HG21 THR 87 18.280 1.671 4.224 629 HG22 THR 87 HG22 THR 87 17.792 0.696 2.838 630 HG23 THR 87 HG23 THR 87 19.075 1.894 2.666 631 H ASP 88 H ASP 88 19.404 2.070 6.634 632 HA ASP 88 HA ASP 88 18.548 -0.201 8.305 633 HB2 ASP 88 HB2 ASP 88 20.487 1.149 9.242 634 HB3 ASP 88 HB3 ASP 88 19.360 2.495 9.393 635 H CYS 89 H CYS 89 17.157 1.381 6.209 636 HA CYS 89 HA CYS 89 15.427 3.296 6.950 637 HB2 CYS 89 HB2 CYS 89 15.098 0.887 5.225 638 HB3 CYS 89 HB3 CYS 89 13.660 1.829 5.606 639 H ASN 90 H ASN 90 15.482 0.053 8.180 640 HA ASN 90 HA ASN 90 13.017 -0.444 9.158 641 HB2 ASN 90 HB2 ASN 90 15.330 -1.635 9.572 642 HB3 ASN 90 HB3 ASN 90 15.298 -0.722 11.077 643 HD21 ASN 90 HD21 ASN 90 14.404 -3.546 9.592 644 HD22 ASN 90 HD22 ASN 90 13.224 -4.093 10.730 645 H ARG 91 H ARG 91 15.087 2.158 10.101 646 HA ARG 91 HA ARG 91 13.429 2.799 12.422 647 HB2 ARG 91 HB2 ARG 91 16.091 3.737 11.418 648 HB3 ARG 91 HB3 ARG 91 15.180 4.746 12.534 649 HG2 ARG 91 HG2 ARG 91 15.043 2.601 13.977 650 HG3 ARG 91 HG3 ARG 91 16.393 2.054 12.981 651 HD2 ARG 91 HD2 ARG 91 17.454 4.331 13.571 652 HD3 ARG 91 HD3 ARG 91 16.255 4.383 14.863 653 HE ARG 91 HE ARG 91 17.499 1.923 15.051 654 HH11 ARG 91 HH11 ARG 91 18.414 5.276 15.250 655 HH12 ARG 91 HH12 ARG 91 19.721 4.989 16.351 656 HH21 ARG 91 HH21 ARG 91 19.217 1.532 16.500 657 HH22 ARG 91 HH22 ARG 91 20.177 2.859 17.060 658 H VAL 92 H VAL 92 14.700 4.494 9.549 659 HA VAL 92 HA VAL 92 13.253 6.818 9.702 660 HB VAL 92 HB VAL 92 14.224 5.239 7.346 661 HG11 VAL 92 HG11 VAL 92 12.313 7.505 7.331 662 HG12 VAL 92 HG12 VAL 92 13.612 7.526 6.136 663 HG13 VAL 92 HG13 VAL 92 12.492 6.165 6.199 664 HG21 VAL 92 HG21 VAL 92 15.392 7.636 7.167 665 HG22 VAL 92 HG22 VAL 92 15.073 7.610 8.901 666 HG23 VAL 92 HG23 VAL 92 16.038 6.332 8.162 667 H VAL 93 H VAL 93 11.152 6.780 10.310 668 HA VAL 93 HA VAL 93 9.163 5.019 9.864 669 HB VAL 93 HB VAL 93 7.559 6.969 9.793 670 HG11 VAL 93 HG11 VAL 93 8.706 7.873 12.085 671 HG12 VAL 93 HG12 VAL 93 7.747 6.397 11.958 672 HG13 VAL 93 HG13 VAL 93 9.508 6.315 11.886 673 HG21 VAL 93 HG21 VAL 93 8.286 9.165 9.820 674 HG22 VAL 93 HG22 VAL 93 9.921 8.728 10.318 675 HG23 VAL 93 HG23 VAL 93 9.393 8.424 8.663 Start of MODEL 4 1 H1 LEU 1 H LEU 1 2.881 -1.067 1.270 2 HA LEU 1 HA LEU 1 2.718 -0.544 -1.606 3 HB2 LEU 1 HB2 LEU 1 2.894 1.569 -0.067 4 HB3 LEU 1 HB3 LEU 1 4.587 1.093 0.047 5 HG LEU 1 HG LEU 1 4.489 1.115 -2.556 6 HD11 LEU 1 HD11 LEU 1 1.858 1.882 -1.961 7 HD12 LEU 1 HD12 LEU 1 2.650 1.868 -3.535 8 HD13 LEU 1 HD13 LEU 1 2.674 3.331 -2.550 9 HD21 LEU 1 HD21 LEU 1 5.553 2.756 -0.774 10 HD22 LEU 1 HD22 LEU 1 4.326 3.852 -1.411 11 HD23 LEU 1 HD23 LEU 1 5.526 3.145 -2.494 12 H THR 2 H THR 2 3.889 -2.101 -2.498 13 HA THR 2 HA THR 2 6.470 -2.801 -1.255 14 HB THR 2 HB THR 2 6.211 -5.066 -1.761 15 HG1 THR 2 HG1 THR 2 5.346 -5.557 -3.620 16 HG21 THR 2 HG21 THR 2 4.105 -3.750 -0.380 17 HG22 THR 2 HG22 THR 2 4.709 -5.391 -0.151 18 HG23 THR 2 HG23 THR 2 3.404 -5.083 -1.297 19 H CYS 3 H CYS 3 7.831 -4.093 -2.991 20 HA CYS 3 HA CYS 3 8.929 -2.457 -4.787 21 HB2 CYS 3 HB2 CYS 3 8.485 -5.415 -4.888 22 HB3 CYS 3 HB3 CYS 3 9.221 -4.614 -6.273 23 H GLY 4 H GLY 4 5.876 -4.126 -5.230 24 HA2 GLY 4 HA2 GLY 4 5.274 -4.053 -7.825 25 HA3 GLY 4 HA3 GLY 4 4.127 -3.475 -6.625 26 H GLN 5 H GLN 5 4.070 -1.204 -6.150 27 HA GLN 5 HA GLN 5 4.454 0.390 -8.510 28 HB2 GLN 5 HB2 GLN 5 3.202 0.797 -5.833 29 HB3 GLN 5 HB3 GLN 5 3.649 2.218 -6.767 30 HG2 GLN 5 HG2 GLN 5 2.170 1.691 -8.498 31 HG3 GLN 5 HG3 GLN 5 1.985 0.026 -7.949 32 HE21 GLN 5 HE21 GLN 5 0.882 -0.301 -5.896 33 HE22 GLN 5 HE22 GLN 5 -0.378 0.789 -5.439 34 H VAL 6 H VAL 6 6.072 -0.049 -5.455 35 HA VAL 6 HA VAL 6 7.563 2.278 -5.264 36 HB VAL 6 HB VAL 6 8.507 -0.507 -4.569 37 HG11 VAL 6 HG11 VAL 6 10.316 1.120 -4.594 38 HG12 VAL 6 HG12 VAL 6 9.384 2.194 -3.549 39 HG13 VAL 6 HG13 VAL 6 9.941 0.635 -2.940 40 HG21 VAL 6 HG21 VAL 6 7.536 -0.221 -2.429 41 HG22 VAL 6 HG22 VAL 6 7.169 1.476 -2.742 42 HG23 VAL 6 HG23 VAL 6 6.287 0.210 -3.597 43 H THR 7 H THR 7 8.731 -0.798 -6.649 44 HA THR 7 HA THR 7 11.061 0.269 -7.782 45 HB THR 7 HB THR 7 9.807 -2.009 -9.200 46 HG1 THR 7 HG1 THR 7 9.261 -2.945 -7.382 47 HG21 THR 7 HG21 THR 7 12.089 -2.974 -8.707 48 HG22 THR 7 HG22 THR 7 12.503 -1.417 -7.989 49 HG23 THR 7 HG23 THR 7 12.081 -1.516 -9.698 50 H GLY 8 H GLY 8 7.774 0.082 -8.979 51 HA2 GLY 8 HA2 GLY 8 8.326 0.629 -11.701 52 HA3 GLY 8 HA3 GLY 8 6.786 0.882 -10.892 53 H ALA 9 H ALA 9 8.087 2.678 -8.897 54 HA ALA 9 HA ALA 9 7.817 5.107 -10.438 55 HB1 ALA 9 HB1 ALA 9 8.462 5.982 -7.973 56 HB2 ALA 9 HB2 ALA 9 6.826 5.537 -8.459 57 HB3 ALA 9 HB3 ALA 9 7.830 4.382 -7.583 58 H LEU 10 H LEU 10 10.367 3.399 -8.692 59 HA LEU 10 HA LEU 10 12.319 5.459 -9.260 60 HB2 LEU 10 HB2 LEU 10 12.582 2.732 -8.006 61 HB3 LEU 10 HB3 LEU 10 13.903 3.887 -8.171 62 HG LEU 10 HG LEU 10 11.693 3.794 -6.225 63 HD11 LEU 10 HD11 LEU 10 14.397 3.667 -6.104 64 HD12 LEU 10 HD12 LEU 10 13.357 4.123 -4.755 65 HD13 LEU 10 HD13 LEU 10 14.121 5.371 -5.740 66 HD21 LEU 10 HD21 LEU 10 12.702 6.424 -7.306 67 HD22 LEU 10 HD22 LEU 10 11.659 6.209 -5.900 68 HD23 LEU 10 HD23 LEU 10 11.071 5.783 -7.508 69 H ALA 11 H ALA 11 10.991 2.905 -10.950 70 HA ALA 11 HA ALA 11 13.008 1.607 -12.257 71 HB1 ALA 11 HB1 ALA 11 10.251 2.368 -12.948 72 HB2 ALA 11 HB2 ALA 11 11.295 1.970 -14.314 73 HB3 ALA 11 HB3 ALA 11 11.051 0.798 -13.019 74 HA PRO 12 HA PRO 12 13.358 5.246 -15.439 75 HB2 PRO 12 HB2 PRO 12 12.265 7.619 -14.701 76 HB3 PRO 12 HB3 PRO 12 11.370 6.386 -15.598 77 HG2 PRO 12 HG2 PRO 12 11.334 6.996 -12.667 78 HG3 PRO 12 HG3 PRO 12 9.978 6.635 -13.751 79 HD2 PRO 12 HD2 PRO 12 11.046 4.785 -12.086 80 HD3 PRO 12 HD3 PRO 12 10.351 4.362 -13.664 81 H CYS 13 H CYS 13 14.230 4.930 -12.353 82 HA CYS 13 HA CYS 13 16.016 7.272 -12.356 83 HB2 CYS 13 HB2 CYS 13 15.304 5.525 -9.995 84 HB3 CYS 13 HB3 CYS 13 16.167 7.060 -9.962 85 H LEU 14 H LEU 14 16.051 4.193 -13.295 86 HA LEU 14 HA LEU 14 18.358 3.126 -12.034 87 HB2 LEU 14 HB2 LEU 14 17.204 2.464 -14.739 88 HB3 LEU 14 HB3 LEU 14 18.346 1.481 -13.825 89 HG LEU 14 HG LEU 14 15.495 1.443 -13.770 90 HD11 LEU 14 HD11 LEU 14 15.899 -0.545 -12.370 91 HD12 LEU 14 HD12 LEU 14 17.603 -0.101 -12.266 92 HD13 LEU 14 HD13 LEU 14 16.895 -0.523 -13.826 93 HD21 LEU 14 HD21 LEU 14 15.410 2.991 -12.004 94 HD22 LEU 14 HD22 LEU 14 16.831 2.302 -11.218 95 HD23 LEU 14 HD23 LEU 14 15.310 1.409 -11.233 96 H GLY 15 H GLY 15 17.879 4.641 -15.227 97 HA2 GLY 15 HA2 GLY 15 20.499 4.550 -16.129 98 HA3 GLY 15 HA3 GLY 15 19.337 5.790 -16.578 99 H TYR 16 H TYR 16 18.941 7.250 -14.397 100 HA TYR 16 HA TYR 16 21.163 8.908 -14.239 101 HB2 TYR 16 HB2 TYR 16 18.788 9.498 -13.636 102 HB3 TYR 16 HB3 TYR 16 19.034 8.659 -12.108 103 HD1 TYR 16 HD2 TYR 16 20.556 11.366 -14.183 104 HD2 TYR 16 HD1 TYR 16 19.772 9.870 -10.278 105 HE1 TYR 16 HE2 TYR 16 21.495 13.422 -13.213 106 HE2 TYR 16 HE1 TYR 16 20.708 11.922 -9.297 107 HH TYR 16 HH TYR 16 22.586 13.783 -10.370 108 H LEU 17 H LEU 17 19.991 6.582 -11.805 109 HA LEU 17 HA LEU 17 22.103 6.938 -9.992 110 HB2 LEU 17 HB2 LEU 17 20.336 4.546 -10.479 111 HB3 LEU 17 HB3 LEU 17 21.419 4.721 -9.100 112 HG LEU 17 HG LEU 17 19.083 6.534 -9.699 113 HD11 LEU 17 HD11 LEU 17 18.328 4.293 -9.123 114 HD12 LEU 17 HD12 LEU 17 17.996 5.424 -7.812 115 HD13 LEU 17 HD13 LEU 17 19.352 4.305 -7.687 116 HD21 LEU 17 HD21 LEU 17 19.717 6.787 -7.053 117 HD22 LEU 17 HD22 LEU 17 20.206 7.902 -8.329 118 HD23 LEU 17 HD23 LEU 17 21.305 6.626 -7.802 119 H ARG 18 H ARG 18 21.764 4.887 -12.818 120 HA ARG 18 HA ARG 18 24.327 3.597 -12.294 121 HB2 ARG 18 HB2 ARG 18 22.161 3.169 -14.339 122 HB3 ARG 18 HB3 ARG 18 23.740 2.413 -14.501 123 HG2 ARG 18 HG2 ARG 18 22.941 0.744 -13.281 124 HG3 ARG 18 HG3 ARG 18 22.988 1.841 -11.900 125 HD2 ARG 18 HD2 ARG 18 20.732 2.314 -12.031 126 HD3 ARG 18 HD3 ARG 18 20.637 1.886 -13.739 127 HE ARG 18 HE ARG 18 20.402 0.104 -11.478 128 HH11 ARG 18 HH11 ARG 18 20.995 0.397 -14.896 129 HH12 ARG 18 HH12 ARG 18 20.541 -1.238 -15.247 130 HH21 ARG 18 HH21 ARG 18 19.802 -2.051 -11.927 131 HH22 ARG 18 HH22 ARG 18 19.862 -2.629 -13.558 132 H THR 19 H THR 19 23.597 6.499 -13.335 133 HA THR 19 HA THR 19 25.295 6.523 -15.718 134 HB THR 19 HB THR 19 23.416 8.528 -14.504 135 HG1 THR 19 HG1 THR 19 23.684 7.689 -17.205 136 HG21 THR 19 HG21 THR 19 25.579 9.061 -16.538 137 HG22 THR 19 HG22 THR 19 25.337 9.866 -14.988 138 HG23 THR 19 HG23 THR 19 24.183 10.110 -16.299 139 H ALA 20 H ALA 20 27.402 6.804 -15.450 140 HA ALA 20 HA ALA 20 28.428 8.041 -13.026 141 HB1 ALA 20 HB1 ALA 20 30.667 7.420 -14.173 142 HB2 ALA 20 HB2 ALA 20 29.645 6.136 -13.526 143 HB3 ALA 20 HB3 ALA 20 29.652 6.470 -15.258 144 H GLY 21 H GLY 21 29.243 10.045 -12.888 145 HA2 GLY 21 HA2 GLY 21 30.692 11.682 -14.202 146 HA3 GLY 21 HA3 GLY 21 29.393 11.611 -15.384 147 H SER 22 H SER 22 28.913 13.797 -15.237 148 HA SER 22 HA SER 22 27.672 14.621 -12.693 149 HB2 SER 22 HB2 SER 22 29.129 16.383 -14.678 150 HB3 SER 22 HB3 SER 22 28.341 16.933 -13.199 151 HG SER 22 HG SER 22 30.456 15.043 -13.282 152 H VAL 23 H VAL 23 25.586 15.123 -12.802 153 HA VAL 23 HA VAL 23 24.421 16.383 -15.104 154 HB VAL 23 HB VAL 23 22.682 14.588 -15.429 155 HG11 VAL 23 HG11 VAL 23 25.433 13.612 -16.138 156 HG12 VAL 23 HG12 VAL 23 23.937 13.456 -17.060 157 HG13 VAL 23 HG13 VAL 23 24.716 15.030 -16.901 158 HG21 VAL 23 HG21 VAL 23 22.903 12.472 -14.552 159 HG22 VAL 23 HG22 VAL 23 24.639 12.642 -14.291 160 HG23 VAL 23 HG23 VAL 23 23.502 13.454 -13.215 161 HA PRO 24 HA PRO 24 21.670 17.886 -12.025 162 HB2 PRO 24 HB2 PRO 24 19.515 18.513 -13.553 163 HB3 PRO 24 HB3 PRO 24 21.011 19.456 -13.568 164 HG2 PRO 24 HG2 PRO 24 20.071 17.362 -15.491 165 HG3 PRO 24 HG3 PRO 24 20.845 18.922 -15.826 166 HD2 PRO 24 HD2 PRO 24 22.206 16.582 -15.873 167 HD3 PRO 24 HD3 PRO 24 22.957 18.113 -15.381 168 H VAL 25 H VAL 25 19.934 17.282 -10.749 169 HA VAL 25 HA VAL 25 19.219 14.627 -10.587 170 HB VAL 25 HB VAL 25 18.028 17.131 -9.501 171 HG11 VAL 25 HG11 VAL 25 16.591 14.557 -9.813 172 HG12 VAL 25 HG12 VAL 25 16.441 15.390 -8.264 173 HG13 VAL 25 HG13 VAL 25 15.966 16.205 -9.754 174 HG21 VAL 25 HG21 VAL 25 19.935 16.069 -8.404 175 HG22 VAL 25 HG22 VAL 25 18.506 16.032 -7.371 176 HG23 VAL 25 HG23 VAL 25 19.011 14.577 -8.230 177 HA PRO 26 HA PRO 26 16.367 14.009 -13.904 178 HB2 PRO 26 HB2 PRO 26 15.294 11.672 -13.035 179 HB3 PRO 26 HB3 PRO 26 16.911 11.783 -13.742 180 HG2 PRO 26 HG2 PRO 26 16.106 11.662 -10.861 181 HG3 PRO 26 HG3 PRO 26 17.430 10.822 -11.689 182 HD2 PRO 26 HD2 PRO 26 17.825 13.047 -10.197 183 HD3 PRO 26 HD3 PRO 26 18.810 12.667 -11.624 184 H LEU 27 H LEU 27 14.558 15.162 -14.107 185 HA LEU 27 HA LEU 27 12.845 15.834 -11.969 186 HB2 LEU 27 HB2 LEU 27 12.650 16.069 -14.948 187 HB3 LEU 27 HB3 LEU 27 11.285 16.501 -13.920 188 HG LEU 27 HG LEU 27 12.588 18.236 -12.853 189 HD11 LEU 27 HD11 LEU 27 14.866 18.756 -13.895 190 HD12 LEU 27 HD12 LEU 27 14.828 17.097 -14.490 191 HD13 LEU 27 HD13 LEU 27 14.771 17.413 -12.756 192 HD21 LEU 27 HD21 LEU 27 12.771 19.759 -14.686 193 HD22 LEU 27 HD22 LEU 27 11.411 18.683 -15.010 194 HD23 LEU 27 HD23 LEU 27 12.949 18.435 -15.838 195 H THR 28 H THR 28 12.115 13.843 -14.841 196 HA THR 28 HA THR 28 9.674 12.860 -14.125 197 HB THR 28 HB THR 28 10.363 10.726 -15.372 198 HG1 THR 28 HG1 THR 28 12.630 12.228 -16.140 199 HG21 THR 28 HG21 THR 28 9.333 11.961 -16.931 200 HG22 THR 28 HG22 THR 28 10.945 12.448 -17.456 201 HG23 THR 28 HG23 THR 28 10.043 13.457 -16.326 202 H CYS 29 H CYS 29 12.829 11.737 -13.020 203 HA CYS 29 HA CYS 29 11.893 9.444 -11.645 204 HB2 CYS 29 HB2 CYS 29 14.214 9.557 -12.201 205 HB3 CYS 29 HB3 CYS 29 14.405 11.096 -11.368 206 H CYS 30 H CYS 30 12.616 12.753 -10.585 207 HA CYS 30 HA CYS 30 12.182 12.450 -7.862 208 HB2 CYS 30 HB2 CYS 30 11.551 14.844 -9.601 209 HB3 CYS 30 HB3 CYS 30 11.673 14.872 -7.845 210 H ASN 31 H ASN 31 9.877 12.813 -10.481 211 HA ASN 31 HA ASN 31 7.576 13.437 -9.067 212 HB2 ASN 31 HB2 ASN 31 8.149 12.054 -11.638 213 HB3 ASN 31 HB3 ASN 31 6.528 11.876 -10.975 214 HD21 ASN 31 HD21 ASN 31 5.110 13.387 -11.462 215 HD22 ASN 31 HD22 ASN 31 5.476 14.970 -12.050 216 H GLY 32 H GLY 32 9.119 10.302 -9.578 217 HA2 GLY 32 HA2 GLY 32 7.010 8.837 -8.276 218 HA3 GLY 32 HA3 GLY 32 8.566 8.198 -8.784 219 H VAL 33 H VAL 33 10.399 9.537 -7.413 220 HA VAL 33 HA VAL 33 10.383 8.399 -4.882 221 HB VAL 33 HB VAL 33 11.930 10.810 -5.839 222 HG11 VAL 33 HG11 VAL 33 13.426 9.563 -3.890 223 HG12 VAL 33 HG12 VAL 33 12.508 11.058 -3.696 224 HG13 VAL 33 HG13 VAL 33 11.788 9.514 -3.238 225 HG21 VAL 33 HG21 VAL 33 12.784 7.927 -5.621 226 HG22 VAL 33 HG22 VAL 33 12.264 8.704 -7.116 227 HG23 VAL 33 HG23 VAL 33 13.717 9.265 -6.290 228 H ARG 34 H ARG 34 9.564 11.715 -5.846 229 HA ARG 34 HA ARG 34 9.122 12.750 -3.283 230 HB2 ARG 34 HB2 ARG 34 9.264 14.351 -4.974 231 HB3 ARG 34 HB3 ARG 34 8.141 13.490 -6.018 232 HG2 ARG 34 HG2 ARG 34 7.118 14.535 -3.436 233 HG3 ARG 34 HG3 ARG 34 7.449 15.685 -4.732 234 HD2 ARG 34 HD2 ARG 34 6.102 13.881 -6.144 235 HD3 ARG 34 HD3 ARG 34 5.404 13.541 -4.561 236 HE ARG 34 HE ARG 34 4.856 15.784 -6.210 237 HH11 ARG 34 HH11 ARG 34 5.218 14.820 -2.885 238 HH12 ARG 34 HH12 ARG 34 4.178 16.064 -2.274 239 HH21 ARG 34 HH21 ARG 34 3.485 17.427 -5.419 240 HH22 ARG 34 HH22 ARG 34 3.192 17.546 -3.717 241 H GLY 35 H GLY 35 6.757 11.461 -5.625 242 HA2 GLY 35 HA2 GLY 35 4.520 11.663 -3.931 243 HA3 GLY 35 HA3 GLY 35 4.649 10.604 -5.327 244 H LEU 36 H LEU 36 7.123 9.422 -3.940 245 HA LEU 36 HA LEU 36 5.738 7.243 -2.721 246 HB2 LEU 36 HB2 LEU 36 8.606 7.943 -3.179 247 HB3 LEU 36 HB3 LEU 36 8.189 6.613 -2.101 248 HG LEU 36 HG LEU 36 7.228 6.739 -4.948 249 HD11 LEU 36 HD11 LEU 36 9.891 6.091 -3.900 250 HD12 LEU 36 HD12 LEU 36 9.386 6.539 -5.529 251 HD13 LEU 36 HD13 LEU 36 9.195 4.876 -4.973 252 HD21 LEU 36 HD21 LEU 36 5.998 5.224 -3.546 253 HD22 LEU 36 HD22 LEU 36 7.490 4.526 -2.917 254 HD23 LEU 36 HD23 LEU 36 7.049 4.288 -4.608 255 H ASN 37 H ASN 37 8.047 9.654 -1.468 256 HA ASN 37 HA ASN 37 7.922 8.884 1.215 257 HB2 ASN 37 HB2 ASN 37 9.664 10.333 0.889 258 HB3 ASN 37 HB3 ASN 37 8.764 11.328 -0.251 259 HD21 ASN 37 HD21 ASN 37 9.575 10.779 3.053 260 HD22 ASN 37 HD22 ASN 37 8.855 12.214 3.691 261 H ASN 38 H ASN 38 5.773 10.837 -0.712 262 HA ASN 38 HA ASN 38 4.270 11.719 1.622 263 HB2 ASN 38 HB2 ASN 38 4.107 12.321 -1.322 264 HB3 ASN 38 HB3 ASN 38 2.805 12.777 -0.227 265 HD21 ASN 38 HD21 ASN 38 6.281 13.096 -0.744 266 HD22 ASN 38 HD22 ASN 38 6.424 14.661 -0.026 267 H ALA 39 H ALA 39 4.055 9.426 -1.006 268 HA ALA 39 HA ALA 39 1.324 8.789 -0.813 269 HB1 ALA 39 HB1 ALA 39 2.146 6.539 -1.785 270 HB2 ALA 39 HB2 ALA 39 2.351 8.008 -2.739 271 HB3 ALA 39 HB3 ALA 39 3.720 7.332 -1.858 272 H ALA 40 H ALA 40 4.167 7.464 0.832 273 HA ALA 40 HA ALA 40 2.571 5.563 2.321 274 HB1 ALA 40 HB1 ALA 40 4.617 4.781 3.239 275 HB2 ALA 40 HB2 ALA 40 4.914 5.110 1.531 276 HB3 ALA 40 HB3 ALA 40 5.469 6.248 2.758 277 H ARG 41 H ARG 41 1.218 6.564 3.726 278 HA ARG 41 HA ARG 41 2.203 8.723 5.411 279 HB2 ARG 41 HB2 ARG 41 -0.088 8.984 6.130 280 HB3 ARG 41 HB3 ARG 41 -0.048 8.858 4.376 281 HG2 ARG 41 HG2 ARG 41 -0.481 6.373 5.938 282 HG3 ARG 41 HG3 ARG 41 -1.804 7.536 5.834 283 HD2 ARG 41 HD2 ARG 41 -2.257 6.300 3.975 284 HD3 ARG 41 HD3 ARG 41 -1.155 7.481 3.267 285 HE ARG 41 HE ARG 41 0.201 5.161 4.243 286 HH11 ARG 41 HH11 ARG 41 -1.616 6.454 1.570 287 HH12 ARG 41 HH12 ARG 41 -0.912 5.382 0.404 288 HH21 ARG 41 HH21 ARG 41 1.135 3.745 2.718 289 HH22 ARG 41 HH22 ARG 41 0.652 3.841 1.059 290 H THR 42 H THR 42 1.410 5.339 5.597 291 HA THR 42 HA THR 42 1.619 5.330 8.509 292 HB THR 42 HB THR 42 0.645 3.247 8.518 293 HG1 THR 42 HG1 THR 42 1.195 2.626 5.835 294 HG21 THR 42 HG21 THR 42 -0.317 4.164 5.814 295 HG22 THR 42 HG22 THR 42 -0.807 4.939 7.321 296 HG23 THR 42 HG23 THR 42 -1.205 3.246 7.029 297 H THR 43 H THR 43 3.277 4.429 9.639 298 HA THR 43 HA THR 43 5.834 4.370 8.571 299 HB THR 43 HB THR 43 4.717 3.075 11.054 300 HG1 THR 43 HG1 THR 43 5.828 4.818 12.031 301 HG21 THR 43 HG21 THR 43 6.689 1.799 10.256 302 HG22 THR 43 HG22 THR 43 6.980 2.629 11.784 303 HG23 THR 43 HG23 THR 43 7.629 3.291 10.284 304 H ILE 44 H ILE 44 3.502 1.756 8.957 305 HA ILE 44 HA ILE 44 5.192 -0.398 8.355 306 HB ILE 44 HB ILE 44 2.229 -0.004 8.072 307 HG12 ILE 44 HG12 ILE 44 2.066 -1.344 9.981 308 HG13 ILE 44 HG13 ILE 44 3.648 -2.071 9.723 309 HG21 ILE 44 HG21 ILE 44 2.531 -2.687 7.784 310 HG22 ILE 44 HG22 ILE 44 2.255 -1.561 6.456 311 HG23 ILE 44 HG23 ILE 44 3.894 -2.082 6.844 312 HD11 ILE 44 HD11 ILE 44 3.170 0.777 10.564 313 HD12 ILE 44 HD12 ILE 44 3.606 -0.550 11.641 314 HD13 ILE 44 HD13 ILE 44 4.733 -0.021 10.392 315 H ASP 45 H ASP 45 3.006 1.432 6.215 316 HA ASP 45 HA ASP 45 3.696 0.115 3.840 317 HB2 ASP 45 HB2 ASP 45 2.616 2.885 4.362 318 HB3 ASP 45 HB3 ASP 45 2.853 2.249 2.737 319 H ARG 46 H ARG 46 5.201 2.785 5.539 320 HA ARG 46 HA ARG 46 6.911 3.631 3.450 321 HB2 ARG 46 HB2 ARG 46 6.712 4.075 6.373 322 HB3 ARG 46 HB3 ARG 46 8.291 4.350 5.651 323 HG2 ARG 46 HG2 ARG 46 5.754 5.620 4.653 324 HG3 ARG 46 HG3 ARG 46 6.845 6.373 5.819 325 HD2 ARG 46 HD2 ARG 46 7.719 5.424 3.098 326 HD3 ARG 46 HD3 ARG 46 7.166 7.067 3.420 327 HE ARG 46 HE ARG 46 9.710 5.932 4.107 328 HH11 ARG 46 HH11 ARG 46 7.359 8.365 4.927 329 HH12 ARG 46 HH12 ARG 46 8.512 9.407 5.693 330 HH21 ARG 46 HH21 ARG 46 11.237 7.295 5.113 331 HH22 ARG 46 HH22 ARG 46 10.718 8.798 5.797 332 H ARG 47 H ARG 47 7.341 1.353 6.131 333 HA ARG 47 HA ARG 47 10.054 0.749 5.489 334 HB2 ARG 47 HB2 ARG 47 9.750 -1.142 7.079 335 HB3 ARG 47 HB3 ARG 47 9.281 0.416 7.746 336 HG2 ARG 47 HG2 ARG 47 6.964 -0.087 7.488 337 HG3 ARG 47 HG3 ARG 47 7.332 -1.552 6.575 338 HD2 ARG 47 HD2 ARG 47 8.340 -1.179 9.372 339 HD3 ARG 47 HD3 ARG 47 6.705 -1.764 9.069 340 HE ARG 47 HE ARG 47 8.520 -3.290 7.565 341 HH11 ARG 47 HH11 ARG 47 7.566 -2.743 10.868 342 HH12 ARG 47 HH12 ARG 47 8.005 -4.334 11.395 343 HH21 ARG 47 HH21 ARG 47 9.101 -5.388 8.246 344 HH22 ARG 47 HH22 ARG 47 8.879 -5.837 9.903 345 H THR 48 H THR 48 6.941 -0.760 4.780 346 HA THR 48 HA THR 48 7.806 -3.148 3.665 347 HB THR 48 HB THR 48 5.435 -1.462 2.841 348 HG1 THR 48 HG1 THR 48 5.133 -2.072 4.929 349 HG21 THR 48 HG21 THR 48 4.551 -3.331 1.722 350 HG22 THR 48 HG22 THR 48 5.739 -4.425 2.431 351 HG23 THR 48 HG23 THR 48 6.235 -3.260 1.204 352 H ALA 49 H ALA 49 7.032 -0.135 1.914 353 HA ALA 49 HA ALA 49 8.019 -1.058 -0.574 354 HB1 ALA 49 HB1 ALA 49 8.086 1.556 -0.969 355 HB2 ALA 49 HB2 ALA 49 6.562 0.669 -0.888 356 HB3 ALA 49 HB3 ALA 49 7.140 1.560 0.520 357 H CYS 50 H CYS 50 9.418 1.042 1.928 358 HA CYS 50 HA CYS 50 11.787 1.724 0.668 359 HB2 CYS 50 HB2 CYS 50 11.192 2.776 2.740 360 HB3 CYS 50 HB3 CYS 50 11.205 1.234 3.591 361 H ASN 51 H ASN 51 11.361 -0.942 3.004 362 HA ASN 51 HA ASN 51 13.830 -2.105 2.830 363 HB2 ASN 51 HB2 ASN 51 11.099 -3.293 3.239 364 HB3 ASN 51 HB3 ASN 51 12.531 -4.318 3.215 365 HD21 ASN 51 HD21 ASN 51 14.343 -3.481 4.656 366 HD22 ASN 51 HD22 ASN 51 13.871 -2.944 6.229 367 H CYS 52 H CYS 52 11.061 -2.665 0.684 368 HA CYS 52 HA CYS 52 12.230 -4.641 -0.920 369 HB2 CYS 52 HB2 CYS 52 9.781 -3.407 -0.815 370 HB3 CYS 52 HB3 CYS 52 10.434 -2.795 -2.332 371 H LEU 53 H LEU 53 12.671 -1.209 -0.831 372 HA LEU 53 HA LEU 53 13.958 -1.116 -3.432 373 HB2 LEU 53 HB2 LEU 53 13.133 0.860 -1.380 374 HB3 LEU 53 HB3 LEU 53 14.478 1.297 -2.432 375 HG LEU 53 HG LEU 53 11.824 0.402 -3.526 376 HD11 LEU 53 HD11 LEU 53 11.219 2.263 -2.221 377 HD12 LEU 53 HD12 LEU 53 11.429 2.884 -3.858 378 HD13 LEU 53 HD13 LEU 53 12.686 3.144 -2.650 379 HD21 LEU 53 HD21 LEU 53 14.361 1.421 -4.597 380 HD22 LEU 53 HD22 LEU 53 12.914 2.174 -5.267 381 HD23 LEU 53 HD23 LEU 53 13.121 0.425 -5.360 382 H LYS 54 H LYS 54 14.908 -0.410 -0.068 383 HA LYS 54 HA LYS 54 17.552 0.102 -0.322 384 HB2 LYS 54 HB2 LYS 54 16.418 -1.767 1.765 385 HB3 LYS 54 HB3 LYS 54 17.886 -0.809 1.901 386 HG2 LYS 54 HG2 LYS 54 15.055 0.201 1.792 387 HG3 LYS 54 HG3 LYS 54 16.166 0.259 3.162 388 HD2 LYS 54 HD2 LYS 54 16.622 2.336 2.448 389 HD3 LYS 54 HD3 LYS 54 17.600 1.533 1.217 390 HE2 LYS 54 HE2 LYS 54 14.760 1.724 0.542 391 HE3 LYS 54 HE3 LYS 54 15.554 3.287 0.731 392 HZ1 LYS 54 HZ1 LYS 54 16.014 1.197 -1.259 393 HZ2 LYS 54 HZ2 LYS 54 17.352 2.101 -0.757 394 HZ3 LYS 54 HZ3 LYS 54 16.014 2.879 -1.440 395 H GLN 55 H GLN 55 16.052 -3.099 -0.423 396 HA GLN 55 HA GLN 55 18.385 -4.638 -0.492 397 HB2 GLN 55 HB2 GLN 55 16.276 -5.711 -0.126 398 HB3 GLN 55 HB3 GLN 55 15.647 -5.129 -1.662 399 HG2 GLN 55 HG2 GLN 55 16.129 -7.320 -2.142 400 HG3 GLN 55 HG3 GLN 55 17.589 -6.498 -2.690 401 HE21 GLN 55 HE21 GLN 55 16.266 -8.813 -0.573 402 HE22 GLN 55 HE22 GLN 55 17.728 -9.253 0.236 403 H THR 56 H THR 56 16.492 -3.224 -3.139 404 HA THR 56 HA THR 56 18.121 -4.263 -5.218 405 HB THR 56 HB THR 56 16.209 -1.923 -5.200 406 HG1 THR 56 HG1 THR 56 15.835 -4.422 -6.473 407 HG21 THR 56 HG21 THR 56 17.679 -3.238 -7.482 408 HG22 THR 56 HG22 THR 56 17.736 -1.543 -6.999 409 HG23 THR 56 HG23 THR 56 16.261 -2.213 -7.697 410 H ALA 57 H ALA 57 17.803 -0.912 -4.025 411 HA ALA 57 HA ALA 57 19.842 0.271 -5.409 412 HB1 ALA 57 HB1 ALA 57 18.919 1.919 -4.222 413 HB2 ALA 57 HB2 ALA 57 18.417 0.824 -2.932 414 HB3 ALA 57 HB3 ALA 57 20.056 1.476 -2.947 415 H ASN 58 H ASN 58 20.100 -1.561 -2.385 416 HA ASN 58 HA ASN 58 22.880 -1.129 -2.031 417 HB2 ASN 58 HB2 ASN 58 21.046 -3.281 -0.955 418 HB3 ASN 58 HB3 ASN 58 22.716 -3.061 -0.442 419 HD21 ASN 58 HD21 ASN 58 21.625 -2.848 1.665 420 HD22 ASN 58 HD22 ASN 58 21.072 -1.282 2.140 421 H ALA 59 H ALA 59 21.020 -3.385 -3.904 422 HA ALA 59 HA ALA 59 23.217 -5.202 -4.350 423 HB1 ALA 59 HB1 ALA 59 21.415 -5.871 -6.250 424 HB2 ALA 59 HB2 ALA 59 21.361 -6.453 -4.586 425 HB3 ALA 59 HB3 ALA 59 20.369 -5.078 -5.072 426 H ILE 60 H ILE 60 21.680 -2.530 -6.041 427 HA ILE 60 HA ILE 60 22.736 -2.819 -8.578 428 HB ILE 60 HB ILE 60 22.253 -0.271 -7.032 429 HG12 ILE 60 HG12 ILE 60 20.585 -1.808 -9.033 430 HG13 ILE 60 HG13 ILE 60 20.241 -1.593 -7.320 431 HG21 ILE 60 HG21 ILE 60 22.392 0.938 -9.066 432 HG22 ILE 60 HG22 ILE 60 23.845 -0.057 -8.972 433 HG23 ILE 60 HG23 ILE 60 22.510 -0.543 -10.017 434 HD11 ILE 60 HD11 ILE 60 20.404 0.696 -9.255 435 HD12 ILE 60 HD12 ILE 60 18.909 -0.168 -8.896 436 HD13 ILE 60 HD13 ILE 60 19.756 0.699 -7.615 437 H ALA 61 H ALA 61 24.809 -3.389 -8.899 438 HA ALA 61 HA ALA 61 26.992 -2.481 -7.337 439 HB1 ALA 61 HB1 ALA 61 26.871 -3.817 -10.033 440 HB2 ALA 61 HB2 ALA 61 28.377 -3.461 -9.186 441 HB3 ALA 61 HB3 ALA 61 27.201 -4.563 -8.469 442 H ASP 62 H ASP 62 25.222 -1.025 -9.845 443 HA ASP 62 HA ASP 62 27.408 0.852 -10.434 444 HB2 ASP 62 HB2 ASP 62 25.029 -0.081 -11.979 445 HB3 ASP 62 HB3 ASP 62 25.637 1.545 -12.278 446 H LEU 63 H LEU 63 25.495 0.754 -8.077 447 HA LEU 63 HA LEU 63 23.822 3.067 -8.365 448 HB2 LEU 63 HB2 LEU 63 22.973 1.553 -6.842 449 HB3 LEU 63 HB3 LEU 63 24.553 1.225 -6.134 450 HG LEU 63 HG LEU 63 24.351 3.698 -5.290 451 HD11 LEU 63 HD11 LEU 63 21.486 2.926 -5.807 452 HD12 LEU 63 HD12 LEU 63 22.354 4.321 -6.447 453 HD13 LEU 63 HD13 LEU 63 21.984 4.227 -4.725 454 HD21 LEU 63 HD21 LEU 63 22.546 1.798 -3.875 455 HD22 LEU 63 HD22 LEU 63 23.802 2.857 -3.231 456 HD23 LEU 63 HD23 LEU 63 24.246 1.372 -4.073 457 H ASN 64 H ASN 64 24.815 4.970 -8.667 458 HA ASN 64 HA ASN 64 27.331 5.629 -7.487 459 HB2 ASN 64 HB2 ASN 64 26.135 6.530 -9.675 460 HB3 ASN 64 HB3 ASN 64 25.516 7.744 -8.560 461 HD21 ASN 64 HD21 ASN 64 27.596 7.611 -10.822 462 HD22 ASN 64 HD22 ASN 64 28.946 8.464 -10.162 463 H LEU 65 H LEU 65 27.249 5.611 -5.281 464 HA LEU 65 HA LEU 65 25.319 6.334 -3.539 465 HB2 LEU 65 HB2 LEU 65 28.210 7.126 -3.237 466 HB3 LEU 65 HB3 LEU 65 27.039 6.909 -1.938 467 HG LEU 65 HG LEU 65 28.491 4.859 -3.551 468 HD11 LEU 65 HD11 LEU 65 28.493 3.819 -1.207 469 HD12 LEU 65 HD12 LEU 65 27.935 5.398 -0.655 470 HD13 LEU 65 HD13 LEU 65 29.486 5.250 -1.481 471 HD21 LEU 65 HD21 LEU 65 25.706 4.657 -2.521 472 HD22 LEU 65 HD22 LEU 65 26.769 3.259 -2.363 473 HD23 LEU 65 HD23 LEU 65 26.436 3.938 -3.957 474 H ASN 66 H ASN 66 27.576 8.581 -5.110 475 HA ASN 66 HA ASN 66 26.742 10.931 -3.874 476 HB2 ASN 66 HB2 ASN 66 27.686 10.639 -6.734 477 HB3 ASN 66 HB3 ASN 66 27.735 12.105 -5.759 478 HD21 ASN 66 HD21 ASN 66 29.649 12.557 -4.979 479 HD22 ASN 66 HD22 ASN 66 30.876 11.418 -4.550 480 H ALA 67 H ALA 67 25.698 9.656 -7.039 481 HA ALA 67 HA ALA 67 23.678 11.571 -7.458 482 HB1 ALA 67 HB1 ALA 67 24.809 9.715 -9.018 483 HB2 ALA 67 HB2 ALA 67 23.302 8.884 -8.630 484 HB3 ALA 67 HB3 ALA 67 23.262 10.473 -9.393 485 H ALA 68 H ALA 68 23.343 8.145 -6.505 486 HA ALA 68 HA ALA 68 20.610 8.208 -5.968 487 HB1 ALA 68 HB1 ALA 68 22.837 6.406 -5.410 488 HB2 ALA 68 HB2 ALA 68 21.550 6.334 -4.205 489 HB3 ALA 68 HB3 ALA 68 21.183 6.048 -5.906 490 H ALA 69 H ALA 69 23.135 9.715 -4.302 491 HA ALA 69 HA ALA 69 21.813 9.716 -1.716 492 HB1 ALA 69 HB1 ALA 69 24.126 9.617 -1.488 493 HB2 ALA 69 HB2 ALA 69 24.400 10.829 -2.740 494 HB3 ALA 69 HB3 ALA 69 23.756 11.312 -1.171 495 H GLY 70 H GLY 70 22.689 12.093 -4.220 496 HA2 GLY 70 HA2 GLY 70 21.249 14.209 -2.894 497 HA3 GLY 70 HA3 GLY 70 22.021 14.298 -4.470 498 H LEU 71 H LEU 71 20.669 12.073 -5.642 499 HA LEU 71 HA LEU 71 18.521 13.247 -6.851 500 HB2 LEU 71 HB2 LEU 71 19.120 11.329 -7.914 501 HB3 LEU 71 HB3 LEU 71 19.363 10.443 -6.410 502 HG LEU 71 HG LEU 71 16.766 10.512 -6.259 503 HD11 LEU 71 HD11 LEU 71 16.831 10.472 -9.217 504 HD12 LEU 71 HD12 LEU 71 16.907 12.048 -8.431 505 HD13 LEU 71 HD13 LEU 71 15.548 10.970 -8.114 506 HD21 LEU 71 HD21 LEU 71 16.699 8.369 -7.117 507 HD22 LEU 71 HD22 LEU 71 18.417 8.572 -6.774 508 HD23 LEU 71 HD23 LEU 71 17.820 8.744 -8.425 509 HA PRO 72 HA PRO 72 15.365 11.259 -3.819 510 HB2 PRO 72 HB2 PRO 72 16.325 9.807 -1.735 511 HB3 PRO 72 HB3 PRO 72 15.980 9.103 -3.319 512 HG2 PRO 72 HG2 PRO 72 18.600 9.979 -2.165 513 HG3 PRO 72 HG3 PRO 72 18.219 8.516 -3.093 514 HD2 PRO 72 HD2 PRO 72 19.404 10.681 -4.207 515 HD3 PRO 72 HD3 PRO 72 18.302 9.624 -5.112 516 H ALA 73 H ALA 73 18.410 12.196 -2.267 517 HA ALA 73 HA ALA 73 17.343 13.251 0.098 518 HB1 ALA 73 HB1 ALA 73 19.856 13.962 -1.404 519 HB2 ALA 73 HB2 ALA 73 19.466 14.558 0.210 520 HB3 ALA 73 HB3 ALA 73 19.690 12.830 -0.061 521 H LYS 74 H LYS 74 16.986 14.326 -3.069 522 HA LYS 74 HA LYS 74 16.072 16.955 -2.113 523 HB2 LYS 74 HB2 LYS 74 17.795 16.295 -4.473 524 HB3 LYS 74 HB3 LYS 74 16.719 17.684 -4.549 525 HG2 LYS 74 HG2 LYS 74 17.870 18.836 -2.917 526 HG3 LYS 74 HG3 LYS 74 18.568 17.369 -2.227 527 HD2 LYS 74 HD2 LYS 74 20.222 18.743 -3.450 528 HD3 LYS 74 HD3 LYS 74 20.038 17.124 -4.129 529 HE2 LYS 74 HE2 LYS 74 20.012 18.427 -6.029 530 HE3 LYS 74 HE3 LYS 74 18.290 18.280 -5.681 531 HZ1 LYS 74 HZ1 LYS 74 18.212 20.480 -5.675 532 HZ2 LYS 74 HZ2 LYS 74 19.894 20.614 -5.794 533 HZ3 LYS 74 HZ3 LYS 74 19.161 20.486 -4.274 534 H CYS 75 H CYS 75 15.971 15.040 -5.124 535 HA CYS 75 HA CYS 75 13.897 15.676 -6.482 536 HB2 CYS 75 HB2 CYS 75 14.578 12.982 -5.426 537 HB3 CYS 75 HB3 CYS 75 13.017 13.157 -6.223 538 H GLY 76 H GLY 76 13.350 14.046 -3.356 539 HA2 GLY 76 HA2 GLY 76 11.065 15.713 -2.820 540 HA3 GLY 76 HA3 GLY 76 10.631 14.055 -3.209 541 H VAL 77 H VAL 77 13.125 13.028 -1.973 542 HA VAL 77 HA VAL 77 12.095 12.778 0.704 543 HB VAL 77 HB VAL 77 14.740 11.711 -0.257 544 HG11 VAL 77 HG11 VAL 77 14.647 11.234 1.975 545 HG12 VAL 77 HG12 VAL 77 12.883 11.167 2.000 546 HG13 VAL 77 HG13 VAL 77 13.809 9.821 1.335 547 HG21 VAL 77 HG21 VAL 77 13.783 10.228 -1.616 548 HG22 VAL 77 HG22 VAL 77 12.555 9.819 -0.417 549 HG23 VAL 77 HG23 VAL 77 12.310 11.192 -1.496 550 H ASN 78 H ASN 78 13.189 15.396 -0.272 551 HA ASN 78 HA ASN 78 15.431 16.445 0.386 552 HB2 ASN 78 HB2 ASN 78 14.316 18.184 1.870 553 HB3 ASN 78 HB3 ASN 78 13.587 17.940 0.286 554 HD21 ASN 78 HD21 ASN 78 13.156 17.779 3.670 555 HD22 ASN 78 HD22 ASN 78 11.509 17.257 3.665 556 H ILE 79 H ILE 79 13.369 15.215 3.017 557 HA ILE 79 HA ILE 79 14.613 15.616 5.280 558 HB ILE 79 HB ILE 79 13.969 12.817 4.345 559 HG12 ILE 79 HG12 ILE 79 12.103 14.097 6.175 560 HG13 ILE 79 HG13 ILE 79 12.281 15.008 4.679 561 HG21 ILE 79 HG21 ILE 79 13.935 13.729 7.194 562 HG22 ILE 79 HG22 ILE 79 14.045 12.093 6.546 563 HG23 ILE 79 HG23 ILE 79 15.434 13.176 6.447 564 HD11 ILE 79 HD11 ILE 79 11.540 12.100 4.900 565 HD12 ILE 79 HD12 ILE 79 10.445 13.434 4.535 566 HD13 ILE 79 HD13 ILE 79 11.724 13.007 3.399 567 HA PRO 80 HA PRO 80 18.915 14.710 4.929 568 HB2 PRO 80 HB2 PRO 80 19.510 14.605 7.576 569 HB3 PRO 80 HB3 PRO 80 19.196 16.120 6.721 570 HG2 PRO 80 HG2 PRO 80 17.361 14.503 8.448 571 HG3 PRO 80 HG3 PRO 80 17.592 16.261 8.399 572 HD2 PRO 80 HD2 PRO 80 15.508 15.031 7.184 573 HD3 PRO 80 HD3 PRO 80 16.248 16.512 6.544 574 H TYR 81 H TYR 81 18.537 12.569 4.028 575 HA TYR 81 HA TYR 81 19.556 10.505 5.756 576 HB2 TYR 81 HB2 TYR 81 16.697 10.577 4.952 577 HB3 TYR 81 HB3 TYR 81 17.511 9.020 4.859 578 HD1 TYR 81 HD2 TYR 81 18.778 8.252 6.987 579 HD2 TYR 81 HD1 TYR 81 15.813 11.303 6.978 580 HE1 TYR 81 HE2 TYR 81 18.447 7.930 9.403 581 HE2 TYR 81 HE1 TYR 81 15.475 10.991 9.394 582 HH TYR 81 HH TYR 81 15.816 9.191 11.083 583 H LYS 82 H LYS 82 21.255 10.431 4.290 584 HA LYS 82 HA LYS 82 20.885 10.108 1.486 585 HB2 LYS 82 HB2 LYS 82 22.992 10.819 3.013 586 HB3 LYS 82 HB3 LYS 82 23.394 9.132 2.723 587 HG2 LYS 82 HG2 LYS 82 23.443 9.455 0.375 588 HG3 LYS 82 HG3 LYS 82 22.732 11.065 0.518 589 HD2 LYS 82 HD2 LYS 82 25.280 10.855 0.133 590 HD3 LYS 82 HD3 LYS 82 24.694 11.995 1.346 591 HE2 LYS 82 HE2 LYS 82 25.397 9.191 2.119 592 HE3 LYS 82 HE3 LYS 82 26.663 10.403 1.925 593 HZ1 LYS 82 HZ1 LYS 82 24.873 10.027 4.086 594 HZ2 LYS 82 HZ2 LYS 82 24.694 11.587 3.457 595 HZ3 LYS 82 HZ3 LYS 82 26.213 11.055 3.980 596 H ILE 83 H ILE 83 21.898 8.167 0.337 597 HA ILE 83 HA ILE 83 20.541 5.797 1.291 598 HB ILE 83 HB ILE 83 21.435 4.799 -0.868 599 HG12 ILE 83 HG12 ILE 83 22.493 6.141 -2.462 600 HG13 ILE 83 HG13 ILE 83 21.981 7.635 -1.686 601 HG21 ILE 83 HG21 ILE 83 19.743 7.280 -1.134 602 HG22 ILE 83 HG22 ILE 83 19.764 5.891 -2.220 603 HG23 ILE 83 HG23 ILE 83 19.155 5.714 -0.574 604 HD11 ILE 83 HD11 ILE 83 24.016 5.734 -0.552 605 HD12 ILE 83 HD12 ILE 83 24.394 7.190 -1.473 606 HD13 ILE 83 HD13 ILE 83 23.572 7.318 0.082 607 H SER 84 H SER 84 21.880 3.664 0.695 608 HA SER 84 HA SER 84 24.590 3.434 0.991 609 HB2 SER 84 HB2 SER 84 25.127 3.939 3.105 610 HB3 SER 84 HB3 SER 84 23.456 4.415 3.405 611 HG SER 84 HG SER 84 23.524 2.790 4.748 612 HA PRO 85 HA PRO 85 23.587 -0.819 0.607 613 HB2 PRO 85 HB2 PRO 85 25.743 -2.021 1.735 614 HB3 PRO 85 HB3 PRO 85 25.810 -1.201 0.171 615 HG2 PRO 85 HG2 PRO 85 26.644 -0.207 2.868 616 HG3 PRO 85 HG3 PRO 85 27.472 -0.039 1.309 617 HD2 PRO 85 HD2 PRO 85 26.007 1.958 2.403 618 HD3 PRO 85 HD3 PRO 85 26.139 1.721 0.648 619 H SER 86 H SER 86 23.632 0.684 3.585 620 HA SER 86 HA SER 86 22.327 -1.621 4.834 621 HB2 SER 86 HB2 SER 86 23.527 -1.158 6.972 622 HB3 SER 86 HB3 SER 86 24.598 -1.711 5.685 623 HG SER 86 HG SER 86 24.213 0.964 6.553 624 H THR 87 H THR 87 20.398 -0.441 4.393 625 HA THR 87 HA THR 87 20.027 1.964 6.051 626 HB THR 87 HB THR 87 18.013 2.389 4.608 627 HG1 THR 87 HG1 THR 87 18.105 0.063 3.838 628 HG21 THR 87 HG21 THR 87 19.294 3.246 2.707 629 HG22 THR 87 HG22 THR 87 20.669 2.246 3.176 630 HG23 THR 87 HG23 THR 87 20.133 3.557 4.226 631 H ASP 88 H ASP 88 18.196 2.151 7.362 632 HA ASP 88 HA ASP 88 16.702 -0.349 7.810 633 HB2 ASP 88 HB2 ASP 88 18.498 0.408 9.569 634 HB3 ASP 88 HB3 ASP 88 17.251 1.552 10.060 635 H CYS 89 H CYS 89 14.793 0.132 6.867 636 HA CYS 89 HA CYS 89 13.585 2.719 7.018 637 HB2 CYS 89 HB2 CYS 89 12.002 0.282 6.321 638 HB3 CYS 89 HB3 CYS 89 11.962 1.887 5.598 639 H ASN 90 H ASN 90 14.014 0.531 9.359 640 HA ASN 90 HA ASN 90 11.390 0.425 10.514 641 HB2 ASN 90 HB2 ASN 90 13.459 -1.178 10.831 642 HB3 ASN 90 HB3 ASN 90 13.868 -0.053 12.123 643 HD21 ASN 90 HD21 ASN 90 10.944 0.481 12.510 644 HD22 ASN 90 HD22 ASN 90 10.376 -0.869 13.427 645 H ARG 91 H ARG 91 14.213 2.470 10.828 646 HA ARG 91 HA ARG 91 13.170 3.857 13.143 647 HB2 ARG 91 HB2 ARG 91 15.654 4.024 11.493 648 HB3 ARG 91 HB3 ARG 91 15.198 5.413 12.471 649 HG2 ARG 91 HG2 ARG 91 16.543 4.307 13.939 650 HG3 ARG 91 HG3 ARG 91 14.983 3.599 14.360 651 HD2 ARG 91 HD2 ARG 91 16.267 1.709 14.161 652 HD3 ARG 91 HD3 ARG 91 15.634 1.848 12.521 653 HE ARG 91 HE ARG 91 17.756 2.296 11.771 654 HH11 ARG 91 HH11 ARG 91 17.674 2.553 15.241 655 HH12 ARG 91 HH12 ARG 91 19.394 2.686 15.403 656 HH21 ARG 91 HH21 ARG 91 20.022 2.470 11.969 657 HH22 ARG 91 HH22 ARG 91 20.728 2.639 13.541 658 H VAL 92 H VAL 92 14.364 5.204 10.075 659 HA VAL 92 HA VAL 92 13.087 7.607 10.122 660 HB VAL 92 HB VAL 92 13.816 5.825 7.825 661 HG11 VAL 92 HG11 VAL 92 13.326 8.019 6.462 662 HG12 VAL 92 HG12 VAL 92 12.053 6.832 6.757 663 HG13 VAL 92 HG13 VAL 92 12.146 8.291 7.744 664 HG21 VAL 92 HG21 VAL 92 14.913 8.217 9.185 665 HG22 VAL 92 HG22 VAL 92 15.744 6.814 8.514 666 HG23 VAL 92 HG23 VAL 92 15.167 8.092 7.445 667 H VAL 93 H VAL 93 11.023 7.659 10.920 668 HA VAL 93 HA VAL 93 8.915 5.967 10.351 669 HB VAL 93 HB VAL 93 8.907 7.748 12.099 670 HG11 VAL 93 HG11 VAL 93 9.762 9.587 10.750 671 HG12 VAL 93 HG12 VAL 93 8.296 9.562 9.767 672 HG13 VAL 93 HG13 VAL 93 8.209 10.010 11.471 673 HG21 VAL 93 HG21 VAL 93 6.806 6.933 12.020 674 HG22 VAL 93 HG22 VAL 93 6.434 8.512 11.328 675 HG23 VAL 93 HG23 VAL 93 6.684 7.123 10.271 Start of MODEL 5 1 H1 LEU 1 H LEU 1 1.531 1.050 0.318 2 HA LEU 1 HA LEU 1 1.469 0.740 -2.485 3 HB2 LEU 1 HB2 LEU 1 2.885 2.304 -0.948 4 HB3 LEU 1 HB3 LEU 1 4.033 0.966 -0.968 5 HG LEU 1 HG LEU 1 4.111 1.136 -3.443 6 HD11 LEU 1 HD11 LEU 1 2.236 2.125 -4.255 7 HD12 LEU 1 HD12 LEU 1 3.272 3.550 -4.167 8 HD13 LEU 1 HD13 LEU 1 2.094 3.236 -2.893 9 HD21 LEU 1 HD21 LEU 1 5.763 2.688 -3.373 10 HD22 LEU 1 HD22 LEU 1 5.517 2.507 -1.635 11 HD23 LEU 1 HD23 LEU 1 4.779 3.860 -2.494 12 H THR 2 H THR 2 2.141 -0.850 -3.803 13 HA THR 2 HA THR 2 3.261 -3.263 -2.540 14 HB THR 2 HB THR 2 2.429 -4.381 -4.708 15 HG1 THR 2 HG1 THR 2 0.655 -2.167 -4.753 16 HG21 THR 2 HG21 THR 2 1.332 -4.937 -2.698 17 HG22 THR 2 HG22 THR 2 0.045 -4.432 -3.792 18 HG23 THR 2 HG23 THR 2 0.624 -3.330 -2.544 19 H CYS 3 H CYS 3 5.107 -4.175 -3.307 20 HA CYS 3 HA CYS 3 7.146 -2.815 -4.368 21 HB2 CYS 3 HB2 CYS 3 6.403 -5.702 -4.780 22 HB3 CYS 3 HB3 CYS 3 7.895 -5.041 -5.440 23 H GLY 4 H GLY 4 4.586 -4.348 -6.267 24 HA2 GLY 4 HA2 GLY 4 5.482 -4.142 -8.824 25 HA3 GLY 4 HA3 GLY 4 3.815 -3.811 -8.376 26 H GLN 5 H GLN 5 3.779 -1.493 -7.145 27 HA GLN 5 HA GLN 5 4.363 0.378 -9.224 28 HB2 GLN 5 HB2 GLN 5 3.327 0.788 -6.415 29 HB3 GLN 5 HB3 GLN 5 3.427 2.051 -7.634 30 HG2 GLN 5 HG2 GLN 5 1.707 1.177 -8.881 31 HG3 GLN 5 HG3 GLN 5 1.930 -0.451 -8.243 32 HE21 GLN 5 HE21 GLN 5 0.133 -0.999 -7.236 33 HE22 GLN 5 HE22 GLN 5 -0.729 -0.029 -6.096 34 H VAL 6 H VAL 6 5.742 -0.369 -6.070 35 HA VAL 6 HA VAL 6 7.376 1.754 -5.577 36 HB VAL 6 HB VAL 6 8.185 -1.142 -5.283 37 HG11 VAL 6 HG11 VAL 6 9.693 -0.375 -3.563 38 HG12 VAL 6 HG12 VAL 6 10.037 0.486 -5.065 39 HG13 VAL 6 HG13 VAL 6 9.141 1.286 -3.772 40 HG21 VAL 6 HG21 VAL 6 6.681 0.691 -3.421 41 HG22 VAL 6 HG22 VAL 6 6.064 -0.765 -4.202 42 HG23 VAL 6 HG23 VAL 6 7.322 -0.889 -2.972 43 H THR 7 H THR 7 8.449 -1.122 -7.399 44 HA THR 7 HA THR 7 10.850 0.016 -8.308 45 HB THR 7 HB THR 7 9.451 -2.054 -9.953 46 HG1 THR 7 HG1 THR 7 9.110 -3.127 -8.145 47 HG21 THR 7 HG21 THR 7 12.278 -1.503 -9.080 48 HG22 THR 7 HG22 THR 7 11.620 -1.527 -10.716 49 HG23 THR 7 HG23 THR 7 11.803 -3.032 -9.817 50 H GLY 8 H GLY 8 7.617 -0.094 -9.731 51 HA2 GLY 8 HA2 GLY 8 8.265 0.892 -12.278 52 HA3 GLY 8 HA3 GLY 8 6.695 1.037 -11.502 53 H ALA 9 H ALA 9 7.967 2.517 -9.223 54 HA ALA 9 HA ALA 9 7.732 5.146 -10.404 55 HB1 ALA 9 HB1 ALA 9 7.764 4.042 -7.652 56 HB2 ALA 9 HB2 ALA 9 8.255 5.722 -7.865 57 HB3 ALA 9 HB3 ALA 9 6.659 5.196 -8.399 58 H LEU 10 H LEU 10 10.237 3.170 -8.902 59 HA LEU 10 HA LEU 10 12.204 5.298 -9.253 60 HB2 LEU 10 HB2 LEU 10 12.365 2.580 -7.966 61 HB3 LEU 10 HB3 LEU 10 13.737 3.675 -8.120 62 HG LEU 10 HG LEU 10 11.470 3.722 -6.235 63 HD11 LEU 10 HD11 LEU 10 13.341 4.980 -4.958 64 HD12 LEU 10 HD12 LEU 10 14.383 4.392 -6.253 65 HD13 LEU 10 HD13 LEU 10 13.502 3.247 -5.242 66 HD21 LEU 10 HD21 LEU 10 12.594 6.240 -7.451 67 HD22 LEU 10 HD22 LEU 10 11.685 6.183 -5.940 68 HD23 LEU 10 HD23 LEU 10 10.912 5.709 -7.454 69 H ALA 11 H ALA 11 10.869 3.265 -11.292 70 HA ALA 11 HA ALA 11 12.891 1.729 -12.443 71 HB1 ALA 11 HB1 ALA 11 11.285 2.575 -14.561 72 HB2 ALA 11 HB2 ALA 11 11.098 1.109 -13.599 73 HB3 ALA 11 HB3 ALA 11 10.229 2.576 -13.148 74 HA PRO 12 HA PRO 12 13.838 5.408 -15.423 75 HB2 PRO 12 HB2 PRO 12 12.707 7.808 -14.850 76 HB3 PRO 12 HB3 PRO 12 11.927 6.600 -15.878 77 HG2 PRO 12 HG2 PRO 12 11.462 7.209 -12.984 78 HG3 PRO 12 HG3 PRO 12 10.278 6.883 -14.263 79 HD2 PRO 12 HD2 PRO 12 11.032 5.006 -12.463 80 HD3 PRO 12 HD3 PRO 12 10.575 4.601 -14.130 81 H CYS 13 H CYS 13 14.022 5.251 -12.130 82 HA CYS 13 HA CYS 13 15.765 7.559 -11.779 83 HB2 CYS 13 HB2 CYS 13 14.845 5.447 -9.817 84 HB3 CYS 13 HB3 CYS 13 15.829 6.847 -9.404 85 H LEU 14 H LEU 14 15.931 4.089 -12.096 86 HA LEU 14 HA LEU 14 18.417 3.497 -11.084 87 HB2 LEU 14 HB2 LEU 14 16.922 2.440 -13.457 88 HB3 LEU 14 HB3 LEU 14 18.515 1.815 -13.035 89 HG LEU 14 HG LEU 14 16.057 1.721 -11.287 90 HD11 LEU 14 HD11 LEU 14 16.780 -0.841 -11.716 91 HD12 LEU 14 HD12 LEU 14 17.230 -0.120 -13.260 92 HD13 LEU 14 HD13 LEU 14 15.573 0.017 -12.674 93 HD21 LEU 14 HD21 LEU 14 18.803 1.593 -10.613 94 HD22 LEU 14 HD22 LEU 14 18.140 -0.035 -10.465 95 HD23 LEU 14 HD23 LEU 14 17.405 1.302 -9.578 96 H GLY 15 H GLY 15 17.619 5.296 -13.951 97 HA2 GLY 15 HA2 GLY 15 20.131 5.103 -15.255 98 HA3 GLY 15 HA3 GLY 15 18.917 6.343 -15.533 99 H TYR 16 H TYR 16 18.743 7.826 -13.411 100 HA TYR 16 HA TYR 16 21.033 9.404 -13.388 101 HB2 TYR 16 HB2 TYR 16 18.863 10.290 -12.747 102 HB3 TYR 16 HB3 TYR 16 18.812 9.231 -11.342 103 HD1 TYR 16 HD2 TYR 16 21.169 11.743 -12.810 104 HD2 TYR 16 HD1 TYR 16 19.243 10.245 -9.325 105 HE1 TYR 16 HE2 TYR 16 22.263 13.487 -11.464 106 HE2 TYR 16 HE1 TYR 16 20.330 11.985 -7.969 107 HH TYR 16 HH TYR 16 21.831 14.673 -9.288 108 H LEU 17 H LEU 17 20.007 6.853 -11.177 109 HA LEU 17 HA LEU 17 22.092 7.253 -9.286 110 HB2 LEU 17 HB2 LEU 17 20.689 4.644 -9.759 111 HB3 LEU 17 HB3 LEU 17 21.350 5.280 -8.254 112 HG LEU 17 HG LEU 17 19.081 6.722 -9.540 113 HD11 LEU 17 HD11 LEU 17 17.507 5.189 -9.105 114 HD12 LEU 17 HD12 LEU 17 18.300 4.645 -7.627 115 HD13 LEU 17 HD13 LEU 17 18.840 4.038 -9.193 116 HD21 LEU 17 HD21 LEU 17 20.222 6.351 -6.806 117 HD22 LEU 17 HD22 LEU 17 18.530 6.813 -6.992 118 HD23 LEU 17 HD23 LEU 17 19.803 7.837 -7.658 119 H ARG 18 H ARG 18 21.747 5.280 -12.175 120 HA ARG 18 HA ARG 18 24.400 4.121 -11.754 121 HB2 ARG 18 HB2 ARG 18 22.176 3.510 -13.696 122 HB3 ARG 18 HB3 ARG 18 23.781 2.808 -13.851 123 HG2 ARG 18 HG2 ARG 18 23.464 1.375 -12.149 124 HG3 ARG 18 HG3 ARG 18 22.542 2.541 -11.199 125 HD2 ARG 18 HD2 ARG 18 20.725 1.374 -11.743 126 HD3 ARG 18 HD3 ARG 18 20.915 2.013 -13.375 127 HE ARG 18 HE ARG 18 22.501 -0.126 -13.466 128 HH11 ARG 18 HH11 ARG 18 19.268 0.267 -12.238 129 HH12 ARG 18 HH12 ARG 18 18.797 -1.364 -12.586 130 HH21 ARG 18 HH21 ARG 18 21.894 -2.276 -13.929 131 HH22 ARG 18 HH22 ARG 18 20.292 -2.810 -13.547 132 H THR 19 H THR 19 23.499 6.955 -12.749 133 HA THR 19 HA THR 19 24.909 7.042 -15.302 134 HB THR 19 HB THR 19 23.244 9.036 -13.791 135 HG1 THR 19 HG1 THR 19 23.093 7.594 -16.195 136 HG21 THR 19 HG21 THR 19 23.796 10.507 -15.886 137 HG22 THR 19 HG22 THR 19 25.282 9.557 -15.913 138 HG23 THR 19 HG23 THR 19 24.874 10.515 -14.490 139 H ALA 20 H ALA 20 27.054 6.727 -14.748 140 HA ALA 20 HA ALA 20 28.409 7.965 -12.631 141 HB1 ALA 20 HB1 ALA 20 30.287 6.974 -13.444 142 HB2 ALA 20 HB2 ALA 20 29.082 6.037 -14.331 143 HB3 ALA 20 HB3 ALA 20 29.912 7.379 -15.120 144 H GLY 21 H GLY 21 29.042 9.996 -12.316 145 HA2 GLY 21 HA2 GLY 21 30.299 11.900 -13.264 146 HA3 GLY 21 HA3 GLY 21 29.263 11.761 -14.677 147 H SER 22 H SER 22 29.678 14.101 -13.060 148 HA SER 22 HA SER 22 27.506 14.505 -11.283 149 HB2 SER 22 HB2 SER 22 29.268 16.469 -12.764 150 HB3 SER 22 HB3 SER 22 28.086 16.936 -11.541 151 HG SER 22 HG SER 22 30.530 15.632 -11.258 152 H VAL 23 H VAL 23 25.506 15.379 -11.588 153 HA VAL 23 HA VAL 23 24.682 16.632 -14.010 154 HB VAL 23 HB VAL 23 22.879 14.811 -14.442 155 HG11 VAL 23 HG11 VAL 23 25.465 13.772 -15.379 156 HG12 VAL 23 HG12 VAL 23 24.047 14.287 -16.294 157 HG13 VAL 23 HG13 VAL 23 25.188 15.487 -15.684 158 HG21 VAL 23 HG21 VAL 23 23.132 12.743 -13.591 159 HG22 VAL 23 HG22 VAL 23 24.892 12.804 -13.688 160 HG23 VAL 23 HG23 VAL 23 24.056 13.573 -12.339 161 HA PRO 24 HA PRO 24 21.509 18.142 -11.380 162 HB2 PRO 24 HB2 PRO 24 19.508 18.615 -13.153 163 HB3 PRO 24 HB3 PRO 24 20.967 19.610 -13.062 164 HG2 PRO 24 HG2 PRO 24 20.300 17.393 -14.960 165 HG3 PRO 24 HG3 PRO 24 21.056 18.962 -15.294 166 HD2 PRO 24 HD2 PRO 24 22.486 16.673 -15.079 167 HD3 PRO 24 HD3 PRO 24 23.133 18.253 -14.592 168 H VAL 25 H VAL 25 19.610 17.576 -10.305 169 HA VAL 25 HA VAL 25 18.983 14.902 -10.041 170 HB VAL 25 HB VAL 25 17.610 17.422 -9.265 171 HG11 VAL 25 HG11 VAL 25 16.250 14.802 -9.603 172 HG12 VAL 25 HG12 VAL 25 15.866 15.760 -8.171 173 HG13 VAL 25 HG13 VAL 25 15.616 16.438 -9.781 174 HG21 VAL 25 HG21 VAL 25 19.423 16.188 -7.966 175 HG22 VAL 25 HG22 VAL 25 17.973 16.650 -7.075 176 HG23 VAL 25 HG23 VAL 25 18.186 14.982 -7.608 177 HA PRO 26 HA PRO 26 16.578 13.934 -13.615 178 HB2 PRO 26 HB2 PRO 26 15.447 11.643 -12.697 179 HB3 PRO 26 HB3 PRO 26 17.139 11.745 -13.200 180 HG2 PRO 26 HG2 PRO 26 15.973 11.831 -10.444 181 HG3 PRO 26 HG3 PRO 26 17.408 10.967 -11.025 182 HD2 PRO 26 HD2 PRO 26 17.565 13.315 -9.685 183 HD3 PRO 26 HD3 PRO 26 18.733 12.852 -10.939 184 H LEU 27 H LEU 27 14.778 14.985 -14.154 185 HA LEU 27 HA LEU 27 12.793 15.781 -12.307 186 HB2 LEU 27 HB2 LEU 27 13.005 15.795 -15.291 187 HB3 LEU 27 HB3 LEU 27 11.489 16.230 -14.506 188 HG LEU 27 HG LEU 27 12.677 18.235 -15.053 189 HD11 LEU 27 HD11 LEU 27 12.386 19.298 -13.068 190 HD12 LEU 27 HD12 LEU 27 13.276 18.080 -12.155 191 HD13 LEU 27 HD13 LEU 27 11.616 17.764 -12.662 192 HD21 LEU 27 HD21 LEU 27 14.976 17.535 -13.293 193 HD22 LEU 27 HD22 LEU 27 14.896 18.650 -14.657 194 HD23 LEU 27 HD23 LEU 27 14.943 16.910 -14.942 195 H THR 28 H THR 28 12.460 13.576 -15.094 196 HA THR 28 HA THR 28 9.972 12.571 -14.599 197 HB THR 28 HB THR 28 10.929 10.351 -15.565 198 HG1 THR 28 HG1 THR 28 13.103 12.104 -16.127 199 HG21 THR 28 HG21 THR 28 9.651 11.922 -16.896 200 HG22 THR 28 HG22 THR 28 11.040 11.358 -17.825 201 HG23 THR 28 HG23 THR 28 11.065 12.958 -17.083 202 H CYS 29 H CYS 29 12.992 11.650 -13.039 203 HA CYS 29 HA CYS 29 11.956 9.412 -11.636 204 HB2 CYS 29 HB2 CYS 29 14.339 9.619 -11.968 205 HB3 CYS 29 HB3 CYS 29 14.367 11.158 -11.112 206 H CYS 30 H CYS 30 12.444 12.811 -10.756 207 HA CYS 30 HA CYS 30 11.716 12.680 -8.079 208 HB2 CYS 30 HB2 CYS 30 11.268 14.913 -10.069 209 HB3 CYS 30 HB3 CYS 30 11.101 15.084 -8.325 210 H ASN 31 H ASN 31 9.725 12.740 -10.960 211 HA ASN 31 HA ASN 31 7.256 13.398 -9.889 212 HB2 ASN 31 HB2 ASN 31 8.170 11.810 -12.231 213 HB3 ASN 31 HB3 ASN 31 6.487 11.627 -11.746 214 HD21 ASN 31 HD21 ASN 31 5.062 13.224 -12.167 215 HD22 ASN 31 HD22 ASN 31 5.461 14.684 -13.000 216 H GLY 32 H GLY 32 8.751 10.179 -10.168 217 HA2 GLY 32 HA2 GLY 32 6.589 8.868 -8.814 218 HA3 GLY 32 HA3 GLY 32 8.142 8.158 -9.230 219 H VAL 33 H VAL 33 9.958 9.572 -7.882 220 HA VAL 33 HA VAL 33 9.871 8.569 -5.302 221 HB VAL 33 HB VAL 33 11.395 11.055 -6.066 222 HG11 VAL 33 HG11 VAL 33 12.351 10.838 -4.076 223 HG12 VAL 33 HG12 VAL 33 11.268 9.491 -3.718 224 HG13 VAL 33 HG13 VAL 33 12.837 9.188 -4.464 225 HG21 VAL 33 HG21 VAL 33 11.651 8.308 -7.053 226 HG22 VAL 33 HG22 VAL 33 12.262 9.818 -7.728 227 HG23 VAL 33 HG23 VAL 33 13.149 9.006 -6.438 228 H ARG 34 H ARG 34 8.905 11.750 -6.499 229 HA ARG 34 HA ARG 34 8.446 12.975 -4.018 230 HB2 ARG 34 HB2 ARG 34 8.527 14.390 -5.905 231 HB3 ARG 34 HB3 ARG 34 7.325 13.442 -6.770 232 HG2 ARG 34 HG2 ARG 34 5.630 14.175 -5.117 233 HG3 ARG 34 HG3 ARG 34 6.853 15.219 -4.389 234 HD2 ARG 34 HD2 ARG 34 7.119 16.106 -6.836 235 HD3 ARG 34 HD3 ARG 34 5.501 15.435 -7.042 236 HE ARG 34 HE ARG 34 4.659 17.107 -5.700 237 HH11 ARG 34 HH11 ARG 34 8.137 17.104 -5.553 238 HH12 ARG 34 HH12 ARG 34 8.233 18.623 -4.724 239 HH21 ARG 34 HH21 ARG 34 4.772 19.107 -4.609 240 HH22 ARG 34 HH22 ARG 34 6.319 19.761 -4.186 241 H GLY 35 H GLY 35 6.094 11.461 -6.240 242 HA2 GLY 35 HA2 GLY 35 3.880 11.667 -4.529 243 HA3 GLY 35 HA3 GLY 35 4.040 10.517 -5.848 244 H LEU 36 H LEU 36 6.557 9.494 -4.467 245 HA LEU 36 HA LEU 36 5.287 7.368 -3.064 246 HB2 LEU 36 HB2 LEU 36 8.128 8.161 -3.565 247 HB3 LEU 36 HB3 LEU 36 7.752 6.860 -2.437 248 HG LEU 36 HG LEU 36 6.866 6.865 -5.317 249 HD11 LEU 36 HD11 LEU 36 8.974 5.002 -4.634 250 HD12 LEU 36 HD12 LEU 36 9.485 6.678 -4.438 251 HD13 LEU 36 HD13 LEU 36 8.852 6.125 -5.989 252 HD21 LEU 36 HD21 LEU 36 6.918 4.803 -3.127 253 HD22 LEU 36 HD22 LEU 36 6.722 4.391 -4.831 254 HD23 LEU 36 HD23 LEU 36 5.525 5.406 -4.025 255 H ASN 37 H ASN 37 7.734 9.703 -1.920 256 HA ASN 37 HA ASN 37 7.522 9.174 0.782 257 HB2 ASN 37 HB2 ASN 37 9.297 10.561 0.372 258 HB3 ASN 37 HB3 ASN 37 8.420 11.506 -0.827 259 HD21 ASN 37 HD21 ASN 37 8.053 13.507 -0.241 260 HD22 ASN 37 HD22 ASN 37 7.816 14.075 1.374 261 H ASN 38 H ASN 38 5.372 10.948 -1.279 262 HA ASN 38 HA ASN 38 3.913 12.088 0.969 263 HB2 ASN 38 HB2 ASN 38 4.352 13.313 -1.234 264 HB3 ASN 38 HB3 ASN 38 3.135 12.254 -1.940 265 HD21 ASN 38 HD21 ASN 38 3.544 15.230 -0.843 266 HD22 ASN 38 HD22 ASN 38 1.972 15.568 -0.210 267 H ALA 39 H ALA 39 3.646 9.521 -1.387 268 HA ALA 39 HA ALA 39 0.897 8.926 -0.833 269 HB1 ALA 39 HB1 ALA 39 1.682 8.325 -2.980 270 HB2 ALA 39 HB2 ALA 39 3.055 7.442 -2.312 271 HB3 ALA 39 HB3 ALA 39 1.420 6.812 -2.112 272 H ALA 40 H ALA 40 3.970 7.984 0.488 273 HA ALA 40 HA ALA 40 2.779 5.797 2.014 274 HB1 ALA 40 HB1 ALA 40 5.643 6.700 2.136 275 HB2 ALA 40 HB2 ALA 40 4.969 5.127 2.564 276 HB3 ALA 40 HB3 ALA 40 5.040 5.625 0.874 277 H ARG 41 H ARG 41 1.754 6.342 3.823 278 HA ARG 41 HA ARG 41 2.893 8.491 5.487 279 HB2 ARG 41 HB2 ARG 41 0.491 8.650 4.425 280 HB3 ARG 41 HB3 ARG 41 0.052 7.598 5.764 281 HG2 ARG 41 HG2 ARG 41 1.616 10.049 6.365 282 HG3 ARG 41 HG3 ARG 41 -0.092 10.219 5.955 283 HD2 ARG 41 HD2 ARG 41 -0.697 8.688 7.739 284 HD3 ARG 41 HD3 ARG 41 1.005 8.425 8.117 285 HE ARG 41 HE ARG 41 -0.619 10.612 8.960 286 HH11 ARG 41 HH11 ARG 41 2.630 9.701 8.103 287 HH12 ARG 41 HH12 ARG 41 3.370 10.943 9.058 288 HH21 ARG 41 HH21 ARG 41 0.343 12.251 10.221 289 HH22 ARG 41 HH22 ARG 41 2.068 12.393 10.263 290 H THR 42 H THR 42 1.656 5.228 5.404 291 HA THR 42 HA THR 42 1.805 4.873 8.267 292 HB THR 42 HB THR 42 0.842 2.811 7.970 293 HG1 THR 42 HG1 THR 42 1.405 1.415 6.392 294 HG21 THR 42 HG21 THR 42 -0.996 3.316 6.792 295 HG22 THR 42 HG22 THR 42 -0.091 3.444 5.283 296 HG23 THR 42 HG23 THR 42 -0.179 4.823 6.379 297 H THR 43 H THR 43 3.379 3.850 9.415 298 HA THR 43 HA THR 43 6.012 3.893 8.505 299 HB THR 43 HB THR 43 4.933 2.180 10.751 300 HG1 THR 43 HG1 THR 43 5.768 4.904 10.686 301 HG21 THR 43 HG21 THR 43 7.163 2.307 11.666 302 HG22 THR 43 HG22 THR 43 7.682 3.364 10.354 303 HG23 THR 43 HG23 THR 43 7.257 1.686 10.019 304 H ILE 44 H ILE 44 3.688 1.234 8.635 305 HA ILE 44 HA ILE 44 5.423 -0.854 7.951 306 HB ILE 44 HB ILE 44 2.488 -0.582 7.291 307 HG12 ILE 44 HG12 ILE 44 2.427 -2.214 9.341 308 HG13 ILE 44 HG13 ILE 44 3.994 -1.505 9.715 309 HG21 ILE 44 HG21 ILE 44 2.710 -3.164 7.428 310 HG22 ILE 44 HG22 ILE 44 3.191 -2.330 5.951 311 HG23 ILE 44 HG23 ILE 44 4.417 -2.858 7.104 312 HD11 ILE 44 HD11 ILE 44 3.087 0.403 10.432 313 HD12 ILE 44 HD12 ILE 44 1.904 0.450 9.124 314 HD13 ILE 44 HD13 ILE 44 1.601 -0.540 10.551 315 H ASP 45 H ASP 45 3.145 0.865 5.805 316 HA ASP 45 HA ASP 45 3.868 -0.202 3.398 317 HB2 ASP 45 HB2 ASP 45 3.019 2.601 4.110 318 HB3 ASP 45 HB3 ASP 45 3.291 2.109 2.440 319 H ARG 46 H ARG 46 5.522 2.354 5.182 320 HA ARG 46 HA ARG 46 7.383 3.030 3.169 321 HB2 ARG 46 HB2 ARG 46 7.125 3.494 6.089 322 HB3 ARG 46 HB3 ARG 46 8.734 3.669 5.401 323 HG2 ARG 46 HG2 ARG 46 6.337 5.075 4.265 324 HG3 ARG 46 HG3 ARG 46 7.323 5.762 5.557 325 HD2 ARG 46 HD2 ARG 46 8.793 4.754 3.208 326 HD3 ARG 46 HD3 ARG 46 7.781 6.170 2.930 327 HE ARG 46 HE ARG 46 10.236 6.071 4.391 328 HH11 ARG 46 HH11 ARG 46 7.177 7.712 4.120 329 HH12 ARG 46 HH12 ARG 46 7.758 9.186 4.820 330 HH21 ARG 46 HH21 ARG 46 11.013 8.007 5.314 331 HH22 ARG 46 HH22 ARG 46 9.940 9.354 5.498 332 H ARG 47 H ARG 47 7.453 0.668 5.794 333 HA ARG 47 HA ARG 47 10.158 -0.119 5.369 334 HB2 ARG 47 HB2 ARG 47 7.910 -1.604 6.742 335 HB3 ARG 47 HB3 ARG 47 9.618 -2.005 6.850 336 HG2 ARG 47 HG2 ARG 47 10.067 -0.321 8.294 337 HG3 ARG 47 HG3 ARG 47 8.847 0.748 7.598 338 HD2 ARG 47 HD2 ARG 47 7.208 -0.023 8.953 339 HD3 ARG 47 HD3 ARG 47 7.831 -1.672 8.941 340 HE ARG 47 HE ARG 47 8.312 0.299 10.915 341 HH11 ARG 47 HH11 ARG 47 9.862 -2.305 9.200 342 HH12 ARG 47 HH12 ARG 47 10.983 -2.651 10.474 343 HH21 ARG 47 HH21 ARG 47 9.784 -0.147 12.600 344 HH22 ARG 47 HH22 ARG 47 10.937 -1.423 12.408 345 H THR 48 H THR 48 7.026 -1.384 4.322 346 HA THR 48 HA THR 48 7.876 -3.751 3.130 347 HB THR 48 HB THR 48 5.561 -1.924 2.549 348 HG1 THR 48 HG1 THR 48 5.887 -4.512 3.685 349 HG21 THR 48 HG21 THR 48 4.706 -3.822 1.095 350 HG22 THR 48 HG22 THR 48 6.366 -4.416 1.061 351 HG23 THR 48 HG23 THR 48 5.984 -2.826 0.401 352 H ALA 49 H ALA 49 7.208 -0.663 1.464 353 HA ALA 49 HA ALA 49 8.349 -1.463 -0.989 354 HB1 ALA 49 HB1 ALA 49 6.719 0.389 -0.714 355 HB2 ALA 49 HB2 ALA 49 8.001 1.356 0.016 356 HB3 ALA 49 HB3 ALA 49 8.139 0.831 -1.662 357 H CYS 50 H CYS 50 9.670 0.144 1.845 358 HA CYS 50 HA CYS 50 12.091 1.036 0.776 359 HB2 CYS 50 HB2 CYS 50 11.631 1.851 2.909 360 HB3 CYS 50 HB3 CYS 50 11.195 0.262 3.530 361 H ASN 51 H ASN 51 11.549 -1.937 2.678 362 HA ASN 51 HA ASN 51 14.055 -3.066 2.285 363 HB2 ASN 51 HB2 ASN 51 11.361 -4.135 2.982 364 HB3 ASN 51 HB3 ASN 51 12.607 -5.291 2.520 365 HD21 ASN 51 HD21 ASN 51 11.635 -2.895 4.845 366 HD22 ASN 51 HD22 ASN 51 12.765 -3.339 6.074 367 H CYS 52 H CYS 52 11.287 -2.954 0.173 368 HA CYS 52 HA CYS 52 12.090 -5.013 -1.606 369 HB2 CYS 52 HB2 CYS 52 9.782 -3.804 -1.326 370 HB3 CYS 52 HB3 CYS 52 10.445 -2.672 -2.500 371 H LEU 53 H LEU 53 12.477 -1.485 -1.664 372 HA LEU 53 HA LEU 53 14.039 -1.579 -4.091 373 HB2 LEU 53 HB2 LEU 53 13.125 0.578 -2.236 374 HB3 LEU 53 HB3 LEU 53 14.400 0.908 -3.406 375 HG LEU 53 HG LEU 53 11.738 -0.193 -4.254 376 HD11 LEU 53 HD11 LEU 53 12.483 2.626 -3.586 377 HD12 LEU 53 HD12 LEU 53 11.007 1.738 -3.206 378 HD13 LEU 53 HD13 LEU 53 11.307 2.284 -4.856 379 HD21 LEU 53 HD21 LEU 53 12.776 -0.209 -6.218 380 HD22 LEU 53 HD22 LEU 53 14.187 0.607 -5.545 381 HD23 LEU 53 HD23 LEU 53 12.822 1.552 -6.142 382 H LYS 54 H LYS 54 14.700 -0.439 -0.774 383 HA LYS 54 HA LYS 54 17.357 0.051 -0.883 384 HB2 LYS 54 HB2 LYS 54 15.594 -1.063 1.237 385 HB3 LYS 54 HB3 LYS 54 17.330 -1.148 1.508 386 HG2 LYS 54 HG2 LYS 54 16.038 0.886 2.395 387 HG3 LYS 54 HG3 LYS 54 17.568 1.156 1.557 388 HD2 LYS 54 HD2 LYS 54 16.486 1.886 -0.402 389 HD3 LYS 54 HD3 LYS 54 14.926 1.249 0.125 390 HE2 LYS 54 HE2 LYS 54 15.501 3.824 0.286 391 HE3 LYS 54 HE3 LYS 54 14.516 3.018 1.506 392 HZ1 LYS 54 HZ1 LYS 54 16.468 2.777 2.891 393 HZ2 LYS 54 HZ2 LYS 54 16.238 4.406 2.497 394 HZ3 LYS 54 HZ3 LYS 54 17.438 3.507 1.713 395 H GLN 55 H GLN 55 15.878 -3.154 -0.547 396 HA GLN 55 HA GLN 55 18.167 -4.678 -0.209 397 HB2 GLN 55 HB2 GLN 55 16.039 -5.719 0.047 398 HB3 GLN 55 HB3 GLN 55 15.565 -5.306 -1.596 399 HG2 GLN 55 HG2 GLN 55 17.883 -7.120 -1.033 400 HG3 GLN 55 HG3 GLN 55 16.227 -7.718 -1.115 401 HE21 GLN 55 HE21 GLN 55 15.042 -6.760 -3.135 402 HE22 GLN 55 HE22 GLN 55 15.908 -6.937 -4.620 403 H THR 56 H THR 56 16.522 -3.911 -3.277 404 HA THR 56 HA THR 56 18.532 -5.078 -4.905 405 HB THR 56 HB THR 56 16.254 -3.200 -5.474 406 HG1 THR 56 HG1 THR 56 15.418 -5.158 -5.549 407 HG21 THR 56 HG21 THR 56 16.851 -3.616 -7.923 408 HG22 THR 56 HG22 THR 56 18.452 -4.066 -7.336 409 HG23 THR 56 HG23 THR 56 17.832 -2.441 -7.048 410 H ALA 57 H ALA 57 17.675 -1.644 -4.425 411 HA ALA 57 HA ALA 57 19.713 -0.447 -5.793 412 HB1 ALA 57 HB1 ALA 57 19.214 0.863 -3.232 413 HB2 ALA 57 HB2 ALA 57 18.953 1.446 -4.876 414 HB3 ALA 57 HB3 ALA 57 17.744 0.422 -4.101 415 H ASN 58 H ASN 58 19.813 -1.461 -2.379 416 HA ASN 58 HA ASN 58 22.500 -0.698 -1.951 417 HB2 ASN 58 HB2 ASN 58 20.631 -1.262 -0.233 418 HB3 ASN 58 HB3 ASN 58 21.174 -2.926 -0.432 419 HD21 ASN 58 HD21 ASN 58 21.377 -2.051 2.006 420 HD22 ASN 58 HD22 ASN 58 22.999 -1.634 2.431 421 H ALA 59 H ALA 59 21.050 -3.461 -3.425 422 HA ALA 59 HA ALA 59 23.398 -5.131 -3.186 423 HB1 ALA 59 HB1 ALA 59 21.958 -6.475 -4.956 424 HB2 ALA 59 HB2 ALA 59 21.572 -6.492 -3.235 425 HB3 ALA 59 HB3 ALA 59 20.676 -5.439 -4.329 426 H ILE 60 H ILE 60 22.015 -2.921 -5.494 427 HA ILE 60 HA ILE 60 23.398 -3.748 -7.799 428 HB ILE 60 HB ILE 60 22.368 -1.019 -7.023 429 HG12 ILE 60 HG12 ILE 60 21.270 -3.216 -8.788 430 HG13 ILE 60 HG13 ILE 60 20.609 -2.669 -7.251 431 HG21 ILE 60 HG21 ILE 60 22.467 -0.859 -9.672 432 HG22 ILE 60 HG22 ILE 60 23.821 -0.378 -8.650 433 HG23 ILE 60 HG23 ILE 60 23.822 -1.960 -9.429 434 HD11 ILE 60 HD11 ILE 60 19.222 -1.629 -8.743 435 HD12 ILE 60 HD12 ILE 60 20.435 -0.375 -8.481 436 HD13 ILE 60 HD13 ILE 60 20.503 -1.379 -9.929 437 H ALA 61 H ALA 61 25.523 -3.865 -8.045 438 HA ALA 61 HA ALA 61 27.379 -2.506 -6.379 439 HB1 ALA 61 HB1 ALA 61 27.822 -4.697 -7.430 440 HB2 ALA 61 HB2 ALA 61 27.907 -3.899 -9.001 441 HB3 ALA 61 HB3 ALA 61 29.089 -3.513 -7.750 442 H ASP 62 H ASP 62 25.513 -1.339 -8.825 443 HA ASP 62 HA ASP 62 27.501 0.719 -9.536 444 HB2 ASP 62 HB2 ASP 62 25.120 -0.064 -11.219 445 HB3 ASP 62 HB3 ASP 62 26.479 0.956 -11.683 446 H LEU 63 H LEU 63 25.429 0.484 -7.327 447 HA LEU 63 HA LEU 63 23.550 2.596 -7.956 448 HB2 LEU 63 HB2 LEU 63 22.641 0.914 -6.609 449 HB3 LEU 63 HB3 LEU 63 24.055 0.869 -5.559 450 HG LEU 63 HG LEU 63 23.225 3.357 -5.037 451 HD11 LEU 63 HD11 LEU 63 21.315 3.575 -6.303 452 HD12 LEU 63 HD12 LEU 63 20.657 3.030 -4.761 453 HD13 LEU 63 HD13 LEU 63 20.850 1.887 -6.089 454 HD21 LEU 63 HD21 LEU 63 22.886 2.519 -2.992 455 HD22 LEU 63 HD22 LEU 63 23.342 0.970 -3.702 456 HD23 LEU 63 HD23 LEU 63 21.639 1.406 -3.553 457 H ASN 64 H ASN 64 24.124 4.656 -7.862 458 HA ASN 64 HA ASN 64 26.432 5.491 -6.330 459 HB2 ASN 64 HB2 ASN 64 25.587 6.327 -8.692 460 HB3 ASN 64 HB3 ASN 64 24.636 7.439 -7.713 461 HD21 ASN 64 HD21 ASN 64 26.793 8.022 -9.548 462 HD22 ASN 64 HD22 ASN 64 28.014 8.828 -8.629 463 H LEU 65 H LEU 65 25.996 5.467 -4.178 464 HA LEU 65 HA LEU 65 23.600 6.118 -2.930 465 HB2 LEU 65 HB2 LEU 65 26.234 6.740 -1.657 466 HB3 LEU 65 HB3 LEU 65 24.765 6.106 -0.918 467 HG LEU 65 HG LEU 65 26.769 4.622 -2.609 468 HD11 LEU 65 HD11 LEU 65 26.442 5.024 0.183 469 HD12 LEU 65 HD12 LEU 65 27.632 4.031 -0.658 470 HD13 LEU 65 HD13 LEU 65 26.084 3.335 -0.180 471 HD21 LEU 65 HD21 LEU 65 25.316 2.967 -3.023 472 HD22 LEU 65 HD22 LEU 65 24.081 4.197 -2.750 473 HD23 LEU 65 HD23 LEU 65 24.549 3.110 -1.441 474 H ASN 66 H ASN 66 26.326 8.189 -3.812 475 HA ASN 66 HA ASN 66 25.461 10.534 -2.545 476 HB2 ASN 66 HB2 ASN 66 27.249 9.984 -4.895 477 HB3 ASN 66 HB3 ASN 66 26.843 11.641 -4.456 478 HD21 ASN 66 HD21 ASN 66 27.320 12.300 -2.241 479 HD22 ASN 66 HD22 ASN 66 28.705 11.630 -1.456 480 H ALA 67 H ALA 67 24.687 9.162 -5.694 481 HA ALA 67 HA ALA 67 23.109 11.460 -6.474 482 HB1 ALA 67 HB1 ALA 67 22.685 9.099 -8.088 483 HB2 ALA 67 HB2 ALA 67 23.355 10.668 -8.538 484 HB3 ALA 67 HB3 ALA 67 24.403 9.426 -7.854 485 H ALA 68 H ALA 68 22.617 8.368 -4.977 486 HA ALA 68 HA ALA 68 19.747 8.399 -5.396 487 HB1 ALA 68 HB1 ALA 68 19.764 6.233 -4.780 488 HB2 ALA 68 HB2 ALA 68 21.495 6.367 -5.092 489 HB3 ALA 68 HB3 ALA 68 20.881 6.510 -3.444 490 H ALA 69 H ALA 69 21.975 9.633 -3.137 491 HA ALA 69 HA ALA 69 20.137 9.661 -0.900 492 HB1 ALA 69 HB1 ALA 69 22.640 9.430 -0.683 493 HB2 ALA 69 HB2 ALA 69 22.748 11.139 -1.106 494 HB3 ALA 69 HB3 ALA 69 21.887 10.644 0.352 495 H GLY 70 H GLY 70 21.609 12.057 -3.083 496 HA2 GLY 70 HA2 GLY 70 20.083 14.229 -1.978 497 HA3 GLY 70 HA3 GLY 70 21.101 14.290 -3.409 498 H LEU 71 H LEU 71 19.800 12.134 -4.796 499 HA LEU 71 HA LEU 71 17.985 13.432 -6.353 500 HB2 LEU 71 HB2 LEU 71 18.546 11.434 -7.268 501 HB3 LEU 71 HB3 LEU 71 18.494 10.589 -5.722 502 HG LEU 71 HG LEU 71 15.911 10.890 -5.966 503 HD11 LEU 71 HD11 LEU 71 15.038 11.232 -8.056 504 HD12 LEU 71 HD12 LEU 71 16.516 10.733 -8.878 505 HD13 LEU 71 HD13 LEU 71 16.430 12.315 -8.103 506 HD21 LEU 71 HD21 LEU 71 17.790 8.898 -7.012 507 HD22 LEU 71 HD22 LEU 71 16.177 8.828 -7.722 508 HD23 LEU 71 HD23 LEU 71 16.378 8.696 -5.974 509 HA PRO 72 HA PRO 72 14.216 11.850 -3.816 510 HB2 PRO 72 HB2 PRO 72 14.703 10.450 -1.542 511 HB3 PRO 72 HB3 PRO 72 14.561 9.685 -3.128 512 HG2 PRO 72 HG2 PRO 72 17.024 10.424 -1.597 513 HG3 PRO 72 HG3 PRO 72 16.677 8.945 -2.510 514 HD2 PRO 72 HD2 PRO 72 18.202 10.947 -3.506 515 HD3 PRO 72 HD3 PRO 72 17.176 9.927 -4.534 516 H ALA 73 H ALA 73 17.036 12.630 -1.814 517 HA ALA 73 HA ALA 73 15.746 13.865 0.317 518 HB1 ALA 73 HB1 ALA 73 18.122 13.318 0.333 519 HB2 ALA 73 HB2 ALA 73 18.425 14.566 -0.877 520 HB3 ALA 73 HB3 ALA 73 17.860 15.016 0.732 521 H LYS 74 H LYS 74 15.994 14.870 -2.929 522 HA LYS 74 HA LYS 74 15.011 17.549 -2.192 523 HB2 LYS 74 HB2 LYS 74 16.803 16.757 -4.491 524 HB3 LYS 74 HB3 LYS 74 16.010 18.323 -4.373 525 HG2 LYS 74 HG2 LYS 74 17.200 18.779 -2.295 526 HG3 LYS 74 HG3 LYS 74 17.985 17.201 -2.394 527 HD2 LYS 74 HD2 LYS 74 18.219 19.314 -4.530 528 HD3 LYS 74 HD3 LYS 74 19.366 19.143 -3.200 529 HE2 LYS 74 HE2 LYS 74 18.768 16.683 -4.712 530 HE3 LYS 74 HE3 LYS 74 19.640 17.933 -5.597 531 HZ1 LYS 74 HZ1 LYS 74 21.401 16.928 -4.649 532 HZ2 LYS 74 HZ2 LYS 74 20.510 16.298 -3.356 533 HZ3 LYS 74 HZ3 LYS 74 21.012 17.913 -3.330 534 H CYS 75 H CYS 75 15.108 15.275 -4.941 535 HA CYS 75 HA CYS 75 13.246 16.014 -6.622 536 HB2 CYS 75 HB2 CYS 75 13.730 13.349 -5.397 537 HB3 CYS 75 HB3 CYS 75 12.273 13.529 -6.369 538 H GLY 76 H GLY 76 12.460 14.897 -3.361 539 HA2 GLY 76 HA2 GLY 76 10.205 16.532 -3.094 540 HA3 GLY 76 HA3 GLY 76 9.654 14.952 -3.629 541 H VAL 77 H VAL 77 11.726 13.484 -2.227 542 HA VAL 77 HA VAL 77 10.412 13.069 0.224 543 HB VAL 77 HB VAL 77 13.265 12.274 -0.326 544 HG11 VAL 77 HG11 VAL 77 11.500 10.364 0.966 545 HG12 VAL 77 HG12 VAL 77 13.080 10.965 1.471 546 HG13 VAL 77 HG13 VAL 77 11.622 11.879 1.858 547 HG21 VAL 77 HG21 VAL 77 10.926 11.582 -1.831 548 HG22 VAL 77 HG22 VAL 77 12.599 11.085 -2.082 549 HG23 VAL 77 HG23 VAL 77 11.554 10.153 -1.010 550 H ASN 78 H ASN 78 12.160 15.678 -0.614 551 HA ASN 78 HA ASN 78 13.741 17.008 0.531 552 HB2 ASN 78 HB2 ASN 78 12.474 18.448 1.883 553 HB3 ASN 78 HB3 ASN 78 11.281 17.736 0.800 554 HD21 ASN 78 HD21 ASN 78 11.093 18.898 3.532 555 HD22 ASN 78 HD22 ASN 78 10.309 17.683 4.479 556 H ILE 79 H ILE 79 14.198 14.279 1.271 557 HA ILE 79 HA ILE 79 15.038 14.673 4.066 558 HB ILE 79 HB ILE 79 13.891 12.190 2.805 559 HG12 ILE 79 HG12 ILE 79 13.135 13.151 5.509 560 HG13 ILE 79 HG13 ILE 79 12.632 14.153 4.152 561 HG21 ILE 79 HG21 ILE 79 14.449 11.187 5.120 562 HG22 ILE 79 HG22 ILE 79 15.722 11.283 3.904 563 HG23 ILE 79 HG23 ILE 79 15.655 12.470 5.207 564 HD11 ILE 79 HD11 ILE 79 12.083 11.332 3.733 565 HD12 ILE 79 HD12 ILE 79 11.277 11.995 5.156 566 HD13 ILE 79 HD13 ILE 79 11.025 12.733 3.574 567 HA PRO 80 HA PRO 80 18.970 14.000 2.002 568 HB2 PRO 80 HB2 PRO 80 20.478 14.676 4.155 569 HB3 PRO 80 HB3 PRO 80 19.719 15.874 3.099 570 HG2 PRO 80 HG2 PRO 80 18.806 14.843 5.757 571 HG3 PRO 80 HG3 PRO 80 18.815 16.507 5.146 572 HD2 PRO 80 HD2 PRO 80 16.579 14.982 5.183 573 HD3 PRO 80 HD3 PRO 80 16.879 16.206 3.933 574 H TYR 81 H TYR 81 18.175 11.658 2.148 575 HA TYR 81 HA TYR 81 19.784 10.222 4.157 576 HB2 TYR 81 HB2 TYR 81 17.013 9.739 3.161 577 HB3 TYR 81 HB3 TYR 81 18.003 8.343 3.572 578 HD1 TYR 81 HD2 TYR 81 17.512 11.714 5.122 579 HD2 TYR 81 HD1 TYR 81 17.411 7.490 5.627 580 HE1 TYR 81 HE2 TYR 81 16.945 12.017 7.496 581 HE2 TYR 81 HE1 TYR 81 16.842 7.782 8.002 582 HH TYR 81 HH TYR 81 17.300 10.437 9.690 583 H LYS 82 H LYS 82 21.380 9.050 3.346 584 HA LYS 82 HA LYS 82 21.363 8.426 0.480 585 HB2 LYS 82 HB2 LYS 82 23.721 8.303 0.579 586 HB3 LYS 82 HB3 LYS 82 23.283 9.701 1.552 587 HG2 LYS 82 HG2 LYS 82 23.739 8.584 3.562 588 HG3 LYS 82 HG3 LYS 82 23.751 7.003 2.777 589 HD2 LYS 82 HD2 LYS 82 26.015 7.543 3.185 590 HD3 LYS 82 HD3 LYS 82 25.756 7.825 1.462 591 HE2 LYS 82 HE2 LYS 82 26.954 9.699 2.156 592 HE3 LYS 82 HE3 LYS 82 25.281 10.256 2.138 593 HZ1 LYS 82 HZ1 LYS 82 26.680 10.841 4.153 594 HZ2 LYS 82 HZ2 LYS 82 26.545 9.215 4.601 595 HZ3 LYS 82 HZ3 LYS 82 25.156 10.170 4.454 596 H ILE 83 H ILE 83 22.778 6.333 0.054 597 HA ILE 83 HA ILE 83 21.469 4.189 1.573 598 HB ILE 83 HB ILE 83 22.690 4.219 -1.184 599 HG12 ILE 83 HG12 ILE 83 20.482 3.865 -1.974 600 HG13 ILE 83 HG13 ILE 83 19.891 3.452 -0.368 601 HG21 ILE 83 HG21 ILE 83 21.657 1.880 0.411 602 HG22 ILE 83 HG22 ILE 83 21.972 1.842 -1.323 603 HG23 ILE 83 HG23 ILE 83 23.297 2.120 -0.192 604 HD11 ILE 83 HD11 ILE 83 19.228 5.709 -1.256 605 HD12 ILE 83 HD12 ILE 83 19.976 5.697 0.341 606 HD13 ILE 83 HD13 ILE 83 20.916 6.183 -1.070 607 H SER 84 H SER 84 22.709 2.207 1.966 608 HA SER 84 HA SER 84 25.566 2.258 1.859 609 HB2 SER 84 HB2 SER 84 24.384 2.339 4.636 610 HB3 SER 84 HB3 SER 84 26.083 2.440 4.174 611 HG SER 84 HG SER 84 24.771 4.461 4.715 612 HA PRO 85 HA PRO 85 24.784 -2.074 1.958 613 HB2 PRO 85 HB2 PRO 85 27.307 -2.942 2.461 614 HB3 PRO 85 HB3 PRO 85 26.805 -2.307 0.890 615 HG2 PRO 85 HG2 PRO 85 28.282 -0.936 3.104 616 HG3 PRO 85 HG3 PRO 85 28.580 -0.879 1.357 617 HD2 PRO 85 HD2 PRO 85 27.280 1.095 2.679 618 HD3 PRO 85 HD3 PRO 85 26.910 0.669 0.996 619 H SER 86 H SER 86 25.359 -0.236 4.627 620 HA SER 86 HA SER 86 25.200 -2.572 6.417 621 HB2 SER 86 HB2 SER 86 26.634 0.051 6.874 622 HB3 SER 86 HB3 SER 86 26.342 -1.141 8.140 623 HG SER 86 HG SER 86 27.446 -2.638 6.592 624 H THR 87 H THR 87 23.902 0.446 5.435 625 HA THR 87 HA THR 87 22.069 0.487 7.736 626 HB THR 87 HB THR 87 23.473 2.565 7.017 627 HG1 THR 87 HG1 THR 87 22.086 3.287 8.436 628 HG21 THR 87 HG21 THR 87 22.859 3.756 5.187 629 HG22 THR 87 HG22 THR 87 21.161 3.300 5.328 630 HG23 THR 87 HG23 THR 87 22.319 2.178 4.615 631 H ASP 88 H ASP 88 19.831 0.678 7.409 632 HA ASP 88 HA ASP 88 18.763 0.527 4.721 633 HB2 ASP 88 HB2 ASP 88 19.368 -1.841 5.402 634 HB3 ASP 88 HB3 ASP 88 18.135 -1.707 6.653 635 H CYS 89 H CYS 89 17.574 2.352 5.086 636 HA CYS 89 HA CYS 89 15.896 3.682 5.857 637 HB2 CYS 89 HB2 CYS 89 14.849 0.911 6.152 638 HB3 CYS 89 HB3 CYS 89 13.943 2.205 6.927 639 H ASN 90 H ASN 90 18.073 3.335 7.612 640 HA ASN 90 HA ASN 90 17.752 2.640 10.184 641 HB2 ASN 90 HB2 ASN 90 19.754 3.787 9.316 642 HB3 ASN 90 HB3 ASN 90 18.865 5.307 9.283 643 HD21 ASN 90 HD21 ASN 90 21.277 4.329 10.782 644 HD22 ASN 90 HD22 ASN 90 20.938 4.707 12.434 645 H ARG 91 H ARG 91 16.969 5.980 9.211 646 HA ARG 91 HA ARG 91 14.907 6.006 11.309 647 HB2 ARG 91 HB2 ARG 91 16.764 8.066 10.234 648 HB3 ARG 91 HB3 ARG 91 15.173 8.605 10.754 649 HG2 ARG 91 HG2 ARG 91 17.231 7.175 12.419 650 HG3 ARG 91 HG3 ARG 91 16.726 8.860 12.562 651 HD2 ARG 91 HD2 ARG 91 14.348 7.744 12.860 652 HD3 ARG 91 HD3 ARG 91 15.321 6.371 13.385 653 HE ARG 91 HE ARG 91 15.981 8.886 14.644 654 HH11 ARG 91 HH11 ARG 91 14.076 5.976 14.788 655 HH12 ARG 91 HH12 ARG 91 13.825 6.069 16.500 656 HH21 ARG 91 HH21 ARG 91 15.658 9.020 16.898 657 HH22 ARG 91 HH22 ARG 91 14.724 7.802 17.699 658 H VAL 92 H VAL 92 14.947 5.258 8.267 659 HA VAL 92 HA VAL 92 12.991 7.092 7.183 660 HB VAL 92 HB VAL 92 13.978 4.472 6.047 661 HG11 VAL 92 HG11 VAL 92 12.339 4.758 4.568 662 HG12 VAL 92 HG12 VAL 92 11.947 6.354 5.212 663 HG13 VAL 92 HG13 VAL 92 13.210 6.179 3.993 664 HG21 VAL 92 HG21 VAL 92 15.853 5.926 6.283 665 HG22 VAL 92 HG22 VAL 92 15.371 5.963 4.588 666 HG23 VAL 92 HG23 VAL 92 14.943 7.300 5.655 667 H VAL 93 H VAL 93 12.436 5.364 9.599 668 HA VAL 93 HA VAL 93 10.074 3.938 8.564 669 HB VAL 93 HB VAL 93 10.170 2.853 10.929 670 HG11 VAL 93 HG11 VAL 93 11.440 1.032 10.063 671 HG12 VAL 93 HG12 VAL 93 10.568 1.755 8.710 672 HG13 VAL 93 HG13 VAL 93 12.287 2.084 8.930 673 HG21 VAL 93 HG21 VAL 93 13.103 3.380 10.652 674 HG22 VAL 93 HG22 VAL 93 12.070 4.503 11.537 675 HG23 VAL 93 HG23 VAL 93 12.197 2.823 12.059 Start of MODEL 6 1 H1 LEU 1 H LEU 1 4.126 -0.079 0.590 2 HA LEU 1 HA LEU 1 2.990 -0.454 -2.056 3 HB2 LEU 1 HB2 LEU 1 5.370 1.351 -1.706 4 HB3 LEU 1 HB3 LEU 1 4.477 1.014 -3.188 5 HG LEU 1 HG LEU 1 3.953 3.234 -2.449 6 HD11 LEU 1 HD11 LEU 1 1.644 1.422 -1.765 7 HD12 LEU 1 HD12 LEU 1 2.134 1.854 -3.402 8 HD13 LEU 1 HD13 LEU 1 1.556 3.101 -2.297 9 HD21 LEU 1 HD21 LEU 1 2.604 2.508 0.036 10 HD22 LEU 1 HD22 LEU 1 3.680 3.859 -0.320 11 HD23 LEU 1 HD23 LEU 1 4.353 2.280 0.087 12 H THR 2 H THR 2 4.079 -1.944 -3.270 13 HA THR 2 HA THR 2 6.470 -3.138 -2.025 14 HB THR 2 HB THR 2 5.733 -5.236 -3.323 15 HG1 THR 2 HG1 THR 2 3.314 -3.726 -3.322 16 HG21 THR 2 HG21 THR 2 3.845 -4.454 -1.119 17 HG22 THR 2 HG22 THR 2 5.554 -4.759 -0.807 18 HG23 THR 2 HG23 THR 2 4.537 -6.037 -1.471 19 H CYS 3 H CYS 3 7.754 -4.475 -3.690 20 HA CYS 3 HA CYS 3 9.131 -2.975 -5.408 21 HB2 CYS 3 HB2 CYS 3 8.378 -5.858 -5.504 22 HB3 CYS 3 HB3 CYS 3 9.192 -5.172 -6.906 23 H GLY 4 H GLY 4 6.043 -4.524 -6.197 24 HA2 GLY 4 HA2 GLY 4 5.746 -4.116 -8.848 25 HA3 GLY 4 HA3 GLY 4 4.434 -3.836 -7.713 26 H GLN 5 H GLN 5 4.076 -1.698 -6.928 27 HA GLN 5 HA GLN 5 4.414 0.293 -8.916 28 HB2 GLN 5 HB2 GLN 5 3.331 0.289 -6.117 29 HB3 GLN 5 HB3 GLN 5 3.541 1.803 -6.987 30 HG2 GLN 5 HG2 GLN 5 1.881 1.338 -8.486 31 HG3 GLN 5 HG3 GLN 5 2.072 -0.407 -8.322 32 HE21 GLN 5 HE21 GLN 5 -0.176 -0.620 -8.073 33 HE22 GLN 5 HE22 GLN 5 -0.957 -0.223 -6.584 34 H VAL 6 H VAL 6 5.937 -0.265 -5.769 35 HA VAL 6 HA VAL 6 7.410 2.026 -5.457 36 HB VAL 6 HB VAL 6 8.371 -0.779 -4.876 37 HG11 VAL 6 HG11 VAL 6 9.885 0.195 -3.308 38 HG12 VAL 6 HG12 VAL 6 10.120 1.011 -4.855 39 HG13 VAL 6 HG13 VAL 6 9.208 1.802 -3.568 40 HG21 VAL 6 HG21 VAL 6 6.117 0.072 -3.916 41 HG22 VAL 6 HG22 VAL 6 7.282 -0.689 -2.832 42 HG23 VAL 6 HG23 VAL 6 7.133 1.068 -2.874 43 H THR 7 H THR 7 8.680 -0.944 -6.977 44 HA THR 7 HA THR 7 11.016 0.232 -7.984 45 HB THR 7 HB THR 7 9.660 -2.083 -9.344 46 HG1 THR 7 HG1 THR 7 10.140 -3.371 -7.678 47 HG21 THR 7 HG21 THR 7 11.702 -1.380 -10.380 48 HG22 THR 7 HG22 THR 7 12.039 -2.865 -9.491 49 HG23 THR 7 HG23 THR 7 12.529 -1.308 -8.825 50 H GLY 8 H GLY 8 7.783 -0.064 -9.341 51 HA2 GLY 8 HA2 GLY 8 8.393 0.675 -11.990 52 HA3 GLY 8 HA3 GLY 8 6.824 0.845 -11.218 53 H ALA 9 H ALA 9 7.976 2.575 -9.096 54 HA ALA 9 HA ALA 9 7.750 5.068 -10.557 55 HB1 ALA 9 HB1 ALA 9 7.539 4.227 -7.735 56 HB2 ALA 9 HB2 ALA 9 8.119 5.868 -8.023 57 HB3 ALA 9 HB3 ALA 9 6.555 5.361 -8.661 58 H LEU 10 H LEU 10 10.220 3.148 -9.060 59 HA LEU 10 HA LEU 10 12.157 5.338 -9.261 60 HB2 LEU 10 HB2 LEU 10 12.317 2.622 -7.969 61 HB3 LEU 10 HB3 LEU 10 13.673 3.743 -8.070 62 HG LEU 10 HG LEU 10 11.332 3.746 -6.275 63 HD11 LEU 10 HD11 LEU 10 12.890 4.336 -4.675 64 HD12 LEU 10 HD12 LEU 10 13.958 5.107 -5.846 65 HD13 LEU 10 HD13 LEU 10 13.846 3.349 -5.780 66 HD21 LEU 10 HD21 LEU 10 12.494 6.305 -7.370 67 HD22 LEU 10 HD22 LEU 10 11.424 6.185 -5.973 68 HD23 LEU 10 HD23 LEU 10 10.838 5.733 -7.575 69 H ALA 11 H ALA 11 10.933 3.177 -11.294 70 HA ALA 11 HA ALA 11 13.051 1.734 -12.378 71 HB1 ALA 11 HB1 ALA 11 11.390 2.543 -14.516 72 HB2 ALA 11 HB2 ALA 11 11.381 1.010 -13.644 73 HB3 ALA 11 HB3 ALA 11 10.363 2.342 -13.097 74 HA PRO 12 HA PRO 12 13.881 5.395 -15.415 75 HB2 PRO 12 HB2 PRO 12 12.619 7.747 -14.918 76 HB3 PRO 12 HB3 PRO 12 11.923 6.480 -15.935 77 HG2 PRO 12 HG2 PRO 12 11.365 7.124 -13.066 78 HG3 PRO 12 HG3 PRO 12 10.227 6.713 -14.362 79 HD2 PRO 12 HD2 PRO 12 11.034 4.913 -12.507 80 HD3 PRO 12 HD3 PRO 12 10.634 4.452 -14.174 81 H CYS 13 H CYS 13 14.042 5.277 -12.135 82 HA CYS 13 HA CYS 13 15.648 7.689 -11.790 83 HB2 CYS 13 HB2 CYS 13 14.761 5.577 -9.814 84 HB3 CYS 13 HB3 CYS 13 15.709 7.000 -9.397 85 H LEU 14 H LEU 14 15.980 4.210 -11.962 86 HA LEU 14 HA LEU 14 18.487 3.793 -10.918 87 HB2 LEU 14 HB2 LEU 14 17.391 2.544 -13.432 88 HB3 LEU 14 HB3 LEU 14 18.678 1.892 -12.419 89 HG LEU 14 HG LEU 14 15.737 2.063 -11.820 90 HD11 LEU 14 HD11 LEU 14 17.749 -0.133 -12.152 91 HD12 LEU 14 HD12 LEU 14 16.202 0.090 -12.968 92 HD13 LEU 14 HD13 LEU 14 16.242 -0.391 -11.272 93 HD21 LEU 14 HD21 LEU 14 16.526 0.975 -9.602 94 HD22 LEU 14 HD22 LEU 14 16.572 2.731 -9.769 95 HD23 LEU 14 HD23 LEU 14 18.053 1.788 -9.948 96 H GLY 15 H GLY 15 17.717 4.695 -14.281 97 HA2 GLY 15 HA2 GLY 15 20.208 4.791 -15.392 98 HA3 GLY 15 HA3 GLY 15 18.938 5.938 -15.790 99 H TYR 16 H TYR 16 18.840 7.083 -13.114 100 HA TYR 16 HA TYR 16 20.971 8.988 -13.443 101 HB2 TYR 16 HB2 TYR 16 18.729 9.731 -12.792 102 HB3 TYR 16 HB3 TYR 16 18.829 8.778 -11.315 103 HD1 TYR 16 HD1 TYR 16 20.386 11.638 -13.104 104 HD2 TYR 16 HD2 TYR 16 19.791 9.681 -9.373 105 HE1 TYR 16 HE1 TYR 16 21.393 13.558 -11.944 106 HE2 TYR 16 HE2 TYR 16 20.795 11.597 -8.202 107 HH TYR 16 HH TYR 16 21.024 14.350 -9.036 108 H LEU 17 H LEU 17 20.240 6.311 -11.321 109 HA LEU 17 HA LEU 17 22.246 6.926 -9.377 110 HB2 LEU 17 HB2 LEU 17 21.211 4.162 -9.797 111 HB3 LEU 17 HB3 LEU 17 21.608 4.993 -8.295 112 HG LEU 17 HG LEU 17 19.155 5.432 -9.996 113 HD11 LEU 17 HD11 LEU 17 17.937 4.402 -8.251 114 HD12 LEU 17 HD12 LEU 17 19.341 4.380 -7.185 115 HD13 LEU 17 HD13 LEU 17 19.296 3.334 -8.605 116 HD21 LEU 17 HD21 LEU 17 18.947 6.622 -7.435 117 HD22 LEU 17 HD22 LEU 17 18.924 7.407 -9.015 118 HD23 LEU 17 HD23 LEU 17 20.453 7.180 -8.165 119 H ARG 18 H ARG 18 22.077 4.919 -12.262 120 HA ARG 18 HA ARG 18 24.742 3.858 -11.838 121 HB2 ARG 18 HB2 ARG 18 22.706 3.512 -14.036 122 HB3 ARG 18 HB3 ARG 18 24.321 2.820 -14.122 123 HG2 ARG 18 HG2 ARG 18 23.168 1.047 -13.279 124 HG3 ARG 18 HG3 ARG 18 23.663 1.830 -11.777 125 HD2 ARG 18 HD2 ARG 18 21.362 1.292 -11.550 126 HD3 ARG 18 HD3 ARG 18 21.459 3.034 -11.800 127 HE ARG 18 HE ARG 18 20.257 2.768 -13.719 128 HH11 ARG 18 HH11 ARG 18 21.669 -0.295 -12.857 129 HH12 ARG 18 HH12 ARG 18 20.857 -1.170 -14.113 130 HH21 ARG 18 HH21 ARG 18 19.183 1.627 -15.377 131 HH22 ARG 18 HH22 ARG 18 19.444 -0.076 -15.546 132 H THR 19 H THR 19 23.230 6.474 -13.502 133 HA THR 19 HA THR 19 25.242 6.929 -15.459 134 HB THR 19 HB THR 19 22.976 8.552 -14.368 135 HG1 THR 19 HG1 THR 19 22.492 8.531 -16.672 136 HG21 THR 19 HG21 THR 19 24.344 10.373 -14.584 137 HG22 THR 19 HG22 THR 19 23.811 10.220 -16.258 138 HG23 THR 19 HG23 THR 19 25.383 9.587 -15.773 139 H ALA 20 H ALA 20 27.286 7.093 -14.677 140 HA ALA 20 HA ALA 20 27.906 8.637 -12.330 141 HB1 ALA 20 HB1 ALA 20 29.558 7.142 -12.366 142 HB2 ALA 20 HB2 ALA 20 29.293 6.772 -14.070 143 HB3 ALA 20 HB3 ALA 20 30.301 8.145 -13.612 144 H GLY 21 H GLY 21 29.165 10.538 -12.248 145 HA2 GLY 21 HA2 GLY 21 30.415 12.257 -13.478 146 HA3 GLY 21 HA3 GLY 21 29.255 12.054 -14.783 147 H SER 22 H SER 22 28.887 14.335 -14.690 148 HA SER 22 HA SER 22 27.323 15.203 -12.351 149 HB2 SER 22 HB2 SER 22 27.916 17.478 -12.909 150 HB3 SER 22 HB3 SER 22 29.393 16.514 -12.881 151 HG SER 22 HG SER 22 29.686 17.222 -14.829 152 H VAL 23 H VAL 23 25.207 15.379 -12.615 153 HA VAL 23 HA VAL 23 24.078 16.416 -15.063 154 HB VAL 23 HB VAL 23 22.520 14.501 -15.371 155 HG11 VAL 23 HG11 VAL 23 24.074 13.107 -16.583 156 HG12 VAL 23 HG12 VAL 23 24.548 14.798 -16.758 157 HG13 VAL 23 HG13 VAL 23 25.427 13.746 -15.649 158 HG21 VAL 23 HG21 VAL 23 22.645 12.547 -14.195 159 HG22 VAL 23 HG22 VAL 23 24.363 12.737 -13.844 160 HG23 VAL 23 HG23 VAL 23 23.170 13.674 -12.944 161 HA PRO 24 HA PRO 24 21.133 17.998 -12.205 162 HB2 PRO 24 HB2 PRO 24 19.074 18.501 -13.902 163 HB3 PRO 24 HB3 PRO 24 20.543 19.483 -13.856 164 HG2 PRO 24 HG2 PRO 24 19.792 17.286 -15.746 165 HG3 PRO 24 HG3 PRO 24 20.547 18.852 -16.094 166 HD2 PRO 24 HD2 PRO 24 21.966 16.551 -15.948 167 HD3 PRO 24 HD3 PRO 24 22.643 18.122 -15.473 168 H VAL 25 H VAL 25 19.542 17.245 -10.902 169 HA VAL 25 HA VAL 25 18.802 14.596 -10.847 170 HB VAL 25 HB VAL 25 17.653 17.056 -9.618 171 HG11 VAL 25 HG11 VAL 25 16.223 14.467 -9.943 172 HG12 VAL 25 HG12 VAL 25 16.078 15.325 -8.407 173 HG13 VAL 25 HG13 VAL 25 15.589 16.112 -9.908 174 HG21 VAL 25 HG21 VAL 25 18.591 14.450 -8.426 175 HG22 VAL 25 HG22 VAL 25 19.615 15.864 -8.674 176 HG23 VAL 25 HG23 VAL 25 18.248 15.950 -7.564 177 HA PRO 26 HA PRO 26 15.869 14.170 -14.126 178 HB2 PRO 26 HB2 PRO 26 14.835 11.775 -13.373 179 HB3 PRO 26 HB3 PRO 26 16.429 11.942 -14.119 180 HG2 PRO 26 HG2 PRO 26 15.713 11.637 -11.228 181 HG3 PRO 26 HG3 PRO 26 17.016 10.859 -12.146 182 HD2 PRO 26 HD2 PRO 26 17.442 12.990 -10.531 183 HD3 PRO 26 HD3 PRO 26 18.387 12.707 -12.007 184 H LEU 27 H LEU 27 14.053 15.329 -14.197 185 HA LEU 27 HA LEU 27 12.401 15.855 -11.975 186 HB2 LEU 27 HB2 LEU 27 12.044 16.230 -14.932 187 HB3 LEU 27 HB3 LEU 27 10.787 16.674 -13.779 188 HG LEU 27 HG LEU 27 12.122 18.603 -14.492 189 HD11 LEU 27 HD11 LEU 27 13.068 18.842 -11.891 190 HD12 LEU 27 HD12 LEU 27 11.696 17.741 -11.768 191 HD13 LEU 27 HD13 LEU 27 11.486 19.335 -12.493 192 HD21 LEU 27 HD21 LEU 27 14.421 18.814 -14.078 193 HD22 LEU 27 HD22 LEU 27 14.233 17.203 -14.772 194 HD23 LEU 27 HD23 LEU 27 14.452 17.394 -13.032 195 H THR 28 H THR 28 11.666 13.967 -14.914 196 HA THR 28 HA THR 28 9.228 12.946 -14.228 197 HB THR 28 HB THR 28 9.937 10.857 -15.542 198 HG1 THR 28 HG1 THR 28 11.940 10.818 -16.367 199 HG21 THR 28 HG21 THR 28 10.445 12.569 -17.607 200 HG22 THR 28 HG22 THR 28 9.667 13.638 -16.439 201 HG23 THR 28 HG23 THR 28 8.838 12.183 -16.991 202 H CYS 29 H CYS 29 12.397 11.791 -13.185 203 HA CYS 29 HA CYS 29 11.461 9.463 -11.865 204 HB2 CYS 29 HB2 CYS 29 13.746 9.436 -12.370 205 HB3 CYS 29 HB3 CYS 29 13.999 11.064 -11.747 206 H CYS 30 H CYS 30 12.176 12.751 -10.756 207 HA CYS 30 HA CYS 30 11.815 12.376 -8.024 208 HB2 CYS 30 HB2 CYS 30 11.136 14.818 -9.678 209 HB3 CYS 30 HB3 CYS 30 11.330 14.793 -7.928 210 H ASN 31 H ASN 31 9.460 12.796 -10.587 211 HA ASN 31 HA ASN 31 7.186 13.400 -9.129 212 HB2 ASN 31 HB2 ASN 31 7.717 12.045 -11.721 213 HB3 ASN 31 HB3 ASN 31 6.109 11.845 -11.031 214 HD21 ASN 31 HD21 ASN 31 4.972 13.071 -12.427 215 HD22 ASN 31 HD22 ASN 31 5.197 14.771 -12.635 216 H GLY 32 H GLY 32 8.649 10.238 -9.773 217 HA2 GLY 32 HA2 GLY 32 6.584 8.797 -8.383 218 HA3 GLY 32 HA3 GLY 32 8.100 8.136 -8.978 219 H VAL 33 H VAL 33 10.039 9.347 -7.682 220 HA VAL 33 HA VAL 33 10.119 8.182 -5.175 221 HB VAL 33 HB VAL 33 11.666 10.573 -6.181 222 HG11 VAL 33 HG11 VAL 33 13.320 9.762 -4.386 223 HG12 VAL 33 HG12 VAL 33 11.920 10.703 -3.866 224 HG13 VAL 33 HG13 VAL 33 11.927 8.950 -3.674 225 HG21 VAL 33 HG21 VAL 33 13.293 9.092 -6.920 226 HG22 VAL 33 HG22 VAL 33 12.706 7.780 -5.897 227 HG23 VAL 33 HG23 VAL 33 11.794 8.257 -7.329 228 H ARG 34 H ARG 34 9.347 11.546 -6.016 229 HA ARG 34 HA ARG 34 9.044 12.527 -3.417 230 HB2 ARG 34 HB2 ARG 34 9.149 14.125 -5.145 231 HB3 ARG 34 HB3 ARG 34 7.865 13.345 -6.059 232 HG2 ARG 34 HG2 ARG 34 6.206 14.108 -4.537 233 HG3 ARG 34 HG3 ARG 34 7.429 14.669 -3.396 234 HD2 ARG 34 HD2 ARG 34 6.499 16.548 -4.609 235 HD3 ARG 34 HD3 ARG 34 8.190 16.319 -5.051 236 HE ARG 34 HE ARG 34 6.622 14.924 -6.890 237 HH11 ARG 34 HH11 ARG 34 7.246 18.207 -5.914 238 HH12 ARG 34 HH12 ARG 34 6.909 18.873 -7.477 239 HH21 ARG 34 HH21 ARG 34 6.176 15.789 -8.953 240 HH22 ARG 34 HH22 ARG 34 6.300 17.497 -9.205 241 H GLY 35 H GLY 35 6.557 11.288 -5.654 242 HA2 GLY 35 HA2 GLY 35 4.399 11.516 -3.861 243 HA3 GLY 35 HA3 GLY 35 4.452 10.460 -5.265 244 H LEU 36 H LEU 36 6.955 9.214 -4.029 245 HA LEU 36 HA LEU 36 5.597 7.065 -2.735 246 HB2 LEU 36 HB2 LEU 36 8.424 7.707 -3.414 247 HB3 LEU 36 HB3 LEU 36 8.108 6.442 -2.229 248 HG LEU 36 HG LEU 36 6.965 6.433 -5.018 249 HD11 LEU 36 HD11 LEU 36 9.143 6.153 -5.586 250 HD12 LEU 36 HD12 LEU 36 8.783 4.493 -5.112 251 HD13 LEU 36 HD13 LEU 36 9.605 5.573 -3.985 252 HD21 LEU 36 HD21 LEU 36 6.536 4.091 -4.554 253 HD22 LEU 36 HD22 LEU 36 5.759 5.106 -3.339 254 HD23 LEU 36 HD23 LEU 36 7.255 4.254 -2.952 255 H ASN 37 H ASN 37 7.954 9.487 -1.611 256 HA ASN 37 HA ASN 37 7.941 8.684 1.087 257 HB2 ASN 37 HB2 ASN 37 9.745 10.035 0.684 258 HB3 ASN 37 HB3 ASN 37 8.854 11.076 -0.422 259 HD21 ASN 37 HD21 ASN 37 9.349 10.292 2.966 260 HD22 ASN 37 HD22 ASN 37 8.895 11.841 3.582 261 H ASN 38 H ASN 38 5.788 10.673 -0.774 262 HA ASN 38 HA ASN 38 4.451 11.702 1.600 263 HB2 ASN 38 HB2 ASN 38 4.202 12.217 -1.348 264 HB3 ASN 38 HB3 ASN 38 2.915 12.708 -0.251 265 HD21 ASN 38 HD21 ASN 38 3.427 14.204 1.432 266 HD22 ASN 38 HD22 ASN 38 4.731 15.320 1.234 267 H ALA 39 H ALA 39 3.963 9.367 -0.969 268 HA ALA 39 HA ALA 39 1.234 8.836 -0.538 269 HB1 ALA 39 HB1 ALA 39 2.154 8.051 -2.551 270 HB2 ALA 39 HB2 ALA 39 3.460 7.202 -1.722 271 HB3 ALA 39 HB3 ALA 39 1.806 6.599 -1.611 272 H ALA 40 H ALA 40 4.158 7.398 0.852 273 HA ALA 40 HA ALA 40 2.655 5.540 2.468 274 HB1 ALA 40 HB1 ALA 40 5.586 6.234 2.394 275 HB2 ALA 40 HB2 ALA 40 4.887 4.993 3.434 276 HB3 ALA 40 HB3 ALA 40 4.799 4.826 1.681 277 H ARG 41 H ARG 41 1.689 6.062 4.306 278 HA ARG 41 HA ARG 41 2.807 8.270 5.907 279 HB2 ARG 41 HB2 ARG 41 -0.017 7.574 5.213 280 HB3 ARG 41 HB3 ARG 41 0.315 8.345 6.758 281 HG2 ARG 41 HG2 ARG 41 1.474 10.170 5.517 282 HG3 ARG 41 HG3 ARG 41 0.918 9.425 4.017 283 HD2 ARG 41 HD2 ARG 41 -0.703 11.032 4.426 284 HD3 ARG 41 HD3 ARG 41 -1.427 9.567 5.086 285 HE ARG 41 HE ARG 41 -1.457 10.601 7.110 286 HH11 ARG 41 HH11 ARG 41 1.071 12.032 5.191 287 HH12 ARG 41 HH12 ARG 41 1.498 13.205 6.392 288 HH21 ARG 41 HH21 ARG 41 -0.905 12.142 8.699 289 HH22 ARG 41 HH22 ARG 41 0.374 13.266 8.387 290 H THR 42 H THR 42 3.209 5.279 5.962 291 HA THR 42 HA THR 42 2.710 4.963 8.833 292 HB THR 42 HB THR 42 1.671 2.921 8.701 293 HG1 THR 42 HG1 THR 42 2.569 1.471 7.461 294 HG21 THR 42 HG21 THR 42 0.145 4.514 7.708 295 HG22 THR 42 HG22 THR 42 -0.021 2.962 6.886 296 HG23 THR 42 HG23 THR 42 0.876 4.275 6.122 297 H THR 43 H THR 43 4.316 3.943 9.941 298 HA THR 43 HA THR 43 6.900 3.926 9.023 299 HB THR 43 HB THR 43 5.751 2.085 11.131 300 HG1 THR 43 HG1 THR 43 5.455 3.979 12.057 301 HG21 THR 43 HG21 THR 43 8.583 3.077 10.981 302 HG22 THR 43 HG22 THR 43 8.086 1.588 10.177 303 HG23 THR 43 HG23 THR 43 7.928 1.741 11.927 304 H ILE 44 H ILE 44 4.581 1.249 8.977 305 HA ILE 44 HA ILE 44 6.320 -0.743 8.044 306 HB ILE 44 HB ILE 44 3.343 -0.396 7.838 307 HG12 ILE 44 HG12 ILE 44 3.240 -2.046 9.516 308 HG13 ILE 44 HG13 ILE 44 4.882 -2.594 9.201 309 HG21 ILE 44 HG21 ILE 44 3.419 -2.862 7.083 310 HG22 ILE 44 HG22 ILE 44 3.704 -1.600 5.885 311 HG23 ILE 44 HG23 ILE 44 5.064 -2.490 6.568 312 HD11 ILE 44 HD11 ILE 44 4.758 -1.391 11.295 313 HD12 ILE 44 HD12 ILE 44 5.746 -0.505 10.133 314 HD13 ILE 44 HD13 ILE 44 4.095 0.018 10.468 315 H ASP 45 H ASP 45 4.255 1.544 6.291 316 HA ASP 45 HA ASP 45 4.664 0.596 3.707 317 HB2 ASP 45 HB2 ASP 45 4.122 3.367 4.765 318 HB3 ASP 45 HB3 ASP 45 4.241 3.031 3.040 319 H ARG 46 H ARG 46 6.599 2.845 5.632 320 HA ARG 46 HA ARG 46 8.414 3.596 3.630 321 HB2 ARG 46 HB2 ARG 46 8.547 3.519 6.628 322 HB3 ARG 46 HB3 ARG 46 9.967 3.954 5.686 323 HG2 ARG 46 HG2 ARG 46 8.214 5.746 6.585 324 HG3 ARG 46 HG3 ARG 46 9.130 5.963 5.092 325 HD2 ARG 46 HD2 ARG 46 7.291 5.232 3.766 326 HD3 ARG 46 HD3 ARG 46 6.400 4.697 5.191 327 HE ARG 46 HE ARG 46 5.624 6.824 5.418 328 HH11 ARG 46 HH11 ARG 46 8.562 6.918 3.552 329 HH12 ARG 46 HH12 ARG 46 8.464 8.619 3.241 330 HH21 ARG 46 HH21 ARG 46 5.484 9.065 5.015 331 HH22 ARG 46 HH22 ARG 46 6.714 9.840 4.074 332 H ARG 47 H ARG 47 8.728 1.092 6.149 333 HA ARG 47 HA ARG 47 11.198 0.092 5.211 334 HB2 ARG 47 HB2 ARG 47 10.588 -1.930 6.606 335 HB3 ARG 47 HB3 ARG 47 10.606 -0.391 7.457 336 HG2 ARG 47 HG2 ARG 47 8.217 -0.270 7.423 337 HG3 ARG 47 HG3 ARG 47 8.116 -1.690 6.380 338 HD2 ARG 47 HD2 ARG 47 9.477 -1.867 9.037 339 HD3 ARG 47 HD3 ARG 47 7.718 -1.934 8.939 340 HE ARG 47 HE ARG 47 8.476 -3.781 7.133 341 HH11 ARG 47 HH11 ARG 47 9.372 -3.218 10.450 342 HH12 ARG 47 HH12 ARG 47 9.680 -4.889 10.787 343 HH21 ARG 47 HH21 ARG 47 8.879 -5.985 7.565 344 HH22 ARG 47 HH22 ARG 47 9.400 -6.462 9.145 345 H THR 48 H THR 48 7.865 -0.645 4.430 346 HA THR 48 HA THR 48 8.247 -3.081 3.093 347 HB THR 48 HB THR 48 6.168 -0.950 2.558 348 HG1 THR 48 HG1 THR 48 4.901 -2.484 3.877 349 HG21 THR 48 HG21 THR 48 5.895 -3.879 1.952 350 HG22 THR 48 HG22 THR 48 6.585 -2.761 0.775 351 HG23 THR 48 HG23 THR 48 4.934 -2.529 1.350 352 H ALA 49 H ALA 49 7.933 0.195 1.709 353 HA ALA 49 HA ALA 49 8.691 -0.643 -0.907 354 HB1 ALA 49 HB1 ALA 49 8.953 1.904 -1.228 355 HB2 ALA 49 HB2 ALA 49 7.349 1.253 -0.889 356 HB3 ALA 49 HB3 ALA 49 8.279 2.021 0.397 357 H CYS 50 H CYS 50 10.387 0.898 1.784 358 HA CYS 50 HA CYS 50 12.804 1.402 0.411 359 HB2 CYS 50 HB2 CYS 50 12.033 2.371 2.646 360 HB3 CYS 50 HB3 CYS 50 12.578 0.861 3.369 361 H ASN 51 H ASN 51 11.482 -1.436 1.916 362 HA ASN 51 HA ASN 51 13.960 -2.865 2.089 363 HB2 ASN 51 HB2 ASN 51 11.067 -3.607 2.407 364 HB3 ASN 51 HB3 ASN 51 12.303 -4.859 2.331 365 HD21 ASN 51 HD21 ASN 51 10.993 -4.924 4.545 366 HD22 ASN 51 HD22 ASN 51 11.847 -4.206 5.864 367 H CYS 52 H CYS 52 11.173 -2.947 -0.113 368 HA CYS 52 HA CYS 52 12.284 -4.942 -1.815 369 HB2 CYS 52 HB2 CYS 52 9.802 -3.703 -1.529 370 HB3 CYS 52 HB3 CYS 52 10.360 -3.202 -3.123 371 H LEU 53 H LEU 53 12.932 -1.654 -1.407 372 HA LEU 53 HA LEU 53 13.979 -1.366 -4.133 373 HB2 LEU 53 HB2 LEU 53 13.083 0.522 -2.031 374 HB3 LEU 53 HB3 LEU 53 14.389 1.053 -3.089 375 HG LEU 53 HG LEU 53 11.718 0.086 -4.097 376 HD11 LEU 53 HD11 LEU 53 11.182 2.013 -2.872 377 HD12 LEU 53 HD12 LEU 53 11.368 2.568 -4.535 378 HD13 LEU 53 HD13 LEU 53 12.658 2.842 -3.365 379 HD21 LEU 53 HD21 LEU 53 13.056 -0.050 -5.928 380 HD22 LEU 53 HD22 LEU 53 14.202 1.146 -5.321 381 HD23 LEU 53 HD23 LEU 53 12.665 1.668 -6.013 382 H LYS 54 H LYS 54 14.918 -1.244 -0.738 383 HA LYS 54 HA LYS 54 17.568 -0.410 -1.055 384 HB2 LYS 54 HB2 LYS 54 16.081 -1.942 1.032 385 HB3 LYS 54 HB3 LYS 54 17.837 -1.902 1.116 386 HG2 LYS 54 HG2 LYS 54 16.189 0.597 0.904 387 HG3 LYS 54 HG3 LYS 54 16.577 -0.156 2.452 388 HD2 LYS 54 HD2 LYS 54 18.811 0.351 2.294 389 HD3 LYS 54 HD3 LYS 54 18.789 0.380 0.529 390 HE2 LYS 54 HE2 LYS 54 17.360 2.441 2.184 391 HE3 LYS 54 HE3 LYS 54 19.057 2.612 1.737 392 HZ1 LYS 54 HZ1 LYS 54 16.671 2.671 0.020 393 HZ2 LYS 54 HZ2 LYS 54 18.149 2.173 -0.635 394 HZ3 LYS 54 HZ3 LYS 54 18.002 3.716 0.043 395 H GLN 55 H GLN 55 16.146 -3.651 -1.130 396 HA GLN 55 HA GLN 55 18.472 -5.162 -1.241 397 HB2 GLN 55 HB2 GLN 55 15.668 -5.552 -2.148 398 HB3 GLN 55 HB3 GLN 55 16.880 -6.653 -2.789 399 HG2 GLN 55 HG2 GLN 55 16.787 -6.174 0.144 400 HG3 GLN 55 HG3 GLN 55 15.564 -7.207 -0.595 401 HE21 GLN 55 HE21 GLN 55 18.739 -6.999 -1.947 402 HE22 GLN 55 HE22 GLN 55 19.280 -8.564 -1.457 403 H THR 56 H THR 56 16.768 -3.447 -3.800 404 HA THR 56 HA THR 56 18.409 -4.488 -5.909 405 HB THR 56 HB THR 56 16.365 -2.287 -5.763 406 HG1 THR 56 HG1 THR 56 16.579 -4.822 -7.022 407 HG21 THR 56 HG21 THR 56 16.818 -2.446 -8.407 408 HG22 THR 56 HG22 THR 56 18.457 -2.711 -7.812 409 HG23 THR 56 HG23 THR 56 17.584 -1.244 -7.369 410 H ALA 57 H ALA 57 18.032 -1.161 -4.665 411 HA ALA 57 HA ALA 57 20.154 0.030 -5.911 412 HB1 ALA 57 HB1 ALA 57 19.467 0.625 -3.045 413 HB2 ALA 57 HB2 ALA 57 20.063 1.732 -4.283 414 HB3 ALA 57 HB3 ALA 57 18.424 1.090 -4.389 415 H ASN 58 H ASN 58 20.219 -1.889 -2.940 416 HA ASN 58 HA ASN 58 22.958 -1.440 -2.358 417 HB2 ASN 58 HB2 ASN 58 21.044 -3.617 -1.505 418 HB3 ASN 58 HB3 ASN 58 22.691 -3.482 -0.894 419 HD21 ASN 58 HD21 ASN 58 22.975 -0.801 -0.568 420 HD22 ASN 58 HD22 ASN 58 21.874 -0.231 0.635 421 H ALA 59 H ALA 59 21.237 -3.867 -4.236 422 HA ALA 59 HA ALA 59 23.488 -5.565 -4.650 423 HB1 ALA 59 HB1 ALA 59 21.224 -6.419 -4.843 424 HB2 ALA 59 HB2 ALA 59 20.913 -5.340 -6.204 425 HB3 ALA 59 HB3 ALA 59 22.095 -6.639 -6.361 426 H ILE 60 H ILE 60 22.086 -2.850 -6.394 427 HA ILE 60 HA ILE 60 23.393 -3.072 -8.827 428 HB ILE 60 HB ILE 60 22.627 -0.595 -7.286 429 HG12 ILE 60 HG12 ILE 60 21.311 -2.317 -9.356 430 HG13 ILE 60 HG13 ILE 60 20.647 -1.678 -7.857 431 HG21 ILE 60 HG21 ILE 60 23.406 -0.761 -10.191 432 HG22 ILE 60 HG22 ILE 60 22.959 0.685 -9.288 433 HG23 ILE 60 HG23 ILE 60 24.459 -0.162 -8.910 434 HD11 ILE 60 HD11 ILE 60 20.934 -0.377 -10.512 435 HD12 ILE 60 HD12 ILE 60 19.566 -0.391 -9.399 436 HD13 ILE 60 HD13 ILE 60 20.968 0.623 -9.060 437 H ALA 61 H ALA 61 25.505 -3.570 -8.946 438 HA ALA 61 HA ALA 61 27.498 -2.705 -7.155 439 HB1 ALA 61 HB1 ALA 61 27.342 -4.357 -9.475 440 HB2 ALA 61 HB2 ALA 61 28.712 -3.258 -9.643 441 HB3 ALA 61 HB3 ALA 61 28.592 -4.307 -8.230 442 H ASP 62 H ASP 62 25.918 -1.084 -9.694 443 HA ASP 62 HA ASP 62 28.053 0.939 -9.828 444 HB2 ASP 62 HB2 ASP 62 25.832 0.305 -11.779 445 HB3 ASP 62 HB3 ASP 62 26.911 1.689 -11.931 446 H LEU 63 H LEU 63 26.077 0.687 -7.693 447 HA LEU 63 HA LEU 63 24.150 2.792 -8.102 448 HB2 LEU 63 HB2 LEU 63 23.343 1.149 -6.692 449 HB3 LEU 63 HB3 LEU 63 24.880 0.977 -5.848 450 HG LEU 63 HG LEU 63 24.362 3.357 -4.946 451 HD11 LEU 63 HD11 LEU 63 21.908 3.702 -4.665 452 HD12 LEU 63 HD12 LEU 63 21.645 2.427 -5.854 453 HD13 LEU 63 HD13 LEU 63 22.486 3.905 -6.319 454 HD21 LEU 63 HD21 LEU 63 23.805 2.350 -3.011 455 HD22 LEU 63 HD22 LEU 63 24.137 0.871 -3.914 456 HD23 LEU 63 HD23 LEU 63 22.478 1.445 -3.740 457 H ASN 64 H ASN 64 25.012 4.778 -8.319 458 HA ASN 64 HA ASN 64 27.318 5.664 -6.901 459 HB2 ASN 64 HB2 ASN 64 26.208 6.502 -9.161 460 HB3 ASN 64 HB3 ASN 64 25.388 7.617 -8.072 461 HD21 ASN 64 HD21 ASN 64 27.316 8.196 -10.144 462 HD22 ASN 64 HD22 ASN 64 28.646 8.985 -9.372 463 H LEU 65 H LEU 65 26.902 5.380 -4.701 464 HA LEU 65 HA LEU 65 24.757 6.000 -3.185 465 HB2 LEU 65 HB2 LEU 65 27.569 6.767 -2.425 466 HB3 LEU 65 HB3 LEU 65 26.235 6.408 -1.331 467 HG LEU 65 HG LEU 65 27.955 4.548 -2.907 468 HD11 LEU 65 HD11 LEU 65 28.661 4.670 -0.714 469 HD12 LEU 65 HD12 LEU 65 27.571 3.285 -0.669 470 HD13 LEU 65 HD13 LEU 65 27.024 4.856 -0.085 471 HD21 LEU 65 HD21 LEU 65 25.996 3.658 -3.696 472 HD22 LEU 65 HD22 LEU 65 25.059 4.197 -2.302 473 HD23 LEU 65 HD23 LEU 65 26.137 2.808 -2.157 474 H ASN 66 H ASN 66 26.800 8.251 -4.845 475 HA ASN 66 HA ASN 66 25.965 10.572 -3.391 476 HB2 ASN 66 HB2 ASN 66 27.360 10.231 -6.050 477 HB3 ASN 66 HB3 ASN 66 27.022 11.800 -5.326 478 HD21 ASN 66 HD21 ASN 66 29.582 10.996 -5.936 479 HD22 ASN 66 HD22 ASN 66 30.470 10.762 -4.472 480 H ALA 67 H ALA 67 25.176 9.240 -6.595 481 HA ALA 67 HA ALA 67 23.173 11.208 -7.131 482 HB1 ALA 67 HB1 ALA 67 24.561 9.716 -8.771 483 HB2 ALA 67 HB2 ALA 67 23.230 8.582 -8.543 484 HB3 ALA 67 HB3 ALA 67 22.913 10.196 -9.178 485 H ALA 68 H ALA 68 23.121 7.829 -6.060 486 HA ALA 68 HA ALA 68 20.303 7.565 -6.027 487 HB1 ALA 68 HB1 ALA 68 22.607 6.007 -5.054 488 HB2 ALA 68 HB2 ALA 68 21.081 5.732 -4.213 489 HB3 ALA 68 HB3 ALA 68 21.183 5.490 -5.957 490 H ALA 69 H ALA 69 22.568 8.986 -3.832 491 HA ALA 69 HA ALA 69 20.665 9.024 -1.628 492 HB1 ALA 69 HB1 ALA 69 23.447 10.178 -1.797 493 HB2 ALA 69 HB2 ALA 69 22.459 10.045 -0.342 494 HB3 ALA 69 HB3 ALA 69 23.031 8.589 -1.156 495 H GLY 70 H GLY 70 22.132 11.218 -3.963 496 HA2 GLY 70 HA2 GLY 70 20.929 13.565 -2.792 497 HA3 GLY 70 HA3 GLY 70 21.818 13.490 -4.306 498 H LEU 71 H LEU 71 20.271 11.477 -5.568 499 HA LEU 71 HA LEU 71 18.367 12.936 -6.899 500 HB2 LEU 71 HB2 LEU 71 18.851 10.991 -7.981 501 HB3 LEU 71 HB3 LEU 71 18.854 10.040 -6.497 502 HG LEU 71 HG LEU 71 16.238 10.573 -6.647 503 HD11 LEU 71 HD11 LEU 71 17.074 11.664 -9.008 504 HD12 LEU 71 HD12 LEU 71 15.438 11.104 -8.665 505 HD13 LEU 71 HD13 LEU 71 16.574 10.045 -9.499 506 HD21 LEU 71 HD21 LEU 71 17.848 8.377 -6.929 507 HD22 LEU 71 HD22 LEU 71 16.955 8.391 -8.451 508 HD23 LEU 71 HD23 LEU 71 16.084 8.359 -6.917 509 HA PRO 72 HA PRO 72 14.851 11.194 -4.102 510 HB2 PRO 72 HB2 PRO 72 15.567 9.729 -1.931 511 HB3 PRO 72 HB3 PRO 72 15.283 9.013 -3.522 512 HG2 PRO 72 HG2 PRO 72 17.872 9.738 -2.206 513 HG3 PRO 72 HG3 PRO 72 17.457 8.284 -3.131 514 HD2 PRO 72 HD2 PRO 72 18.858 10.340 -4.200 515 HD3 PRO 72 HD3 PRO 72 17.750 9.338 -5.160 516 H ALA 73 H ALA 73 17.796 11.784 -2.187 517 HA ALA 73 HA ALA 73 16.674 13.001 0.023 518 HB1 ALA 73 HB1 ALA 73 18.857 14.206 0.237 519 HB2 ALA 73 HB2 ALA 73 18.996 12.460 0.019 520 HB3 ALA 73 HB3 ALA 73 19.306 13.546 -1.337 521 H LYS 74 H LYS 74 16.740 14.126 -3.192 522 HA LYS 74 HA LYS 74 15.908 16.809 -2.296 523 HB2 LYS 74 HB2 LYS 74 17.397 16.019 -4.804 524 HB3 LYS 74 HB3 LYS 74 16.718 17.618 -4.528 525 HG2 LYS 74 HG2 LYS 74 18.162 17.896 -2.576 526 HG3 LYS 74 HG3 LYS 74 18.844 16.292 -2.856 527 HD2 LYS 74 HD2 LYS 74 18.935 18.521 -4.883 528 HD3 LYS 74 HD3 LYS 74 20.224 18.207 -3.718 529 HE2 LYS 74 HE2 LYS 74 19.344 15.851 -5.226 530 HE3 LYS 74 HE3 LYS 74 20.066 17.120 -6.214 531 HZ1 LYS 74 HZ1 LYS 74 21.845 15.788 -5.567 532 HZ2 LYS 74 HZ2 LYS 74 21.283 15.615 -3.981 533 HZ3 LYS 74 HZ3 LYS 74 21.922 17.095 -4.495 534 H CYS 75 H CYS 75 15.679 14.751 -5.206 535 HA CYS 75 HA CYS 75 13.643 15.599 -6.591 536 HB2 CYS 75 HB2 CYS 75 14.252 12.849 -5.649 537 HB3 CYS 75 HB3 CYS 75 12.684 13.095 -6.410 538 H GLY 76 H GLY 76 13.217 14.242 -3.356 539 HA2 GLY 76 HA2 GLY 76 10.934 15.831 -2.826 540 HA3 GLY 76 HA3 GLY 76 10.436 14.197 -3.237 541 H VAL 77 H VAL 77 13.034 13.201 -2.034 542 HA VAL 77 HA VAL 77 11.986 12.816 0.622 543 HB VAL 77 HB VAL 77 14.613 11.865 -0.526 544 HG11 VAL 77 HG11 VAL 77 14.943 11.448 1.672 545 HG12 VAL 77 HG12 VAL 77 13.219 11.470 2.047 546 HG13 VAL 77 HG13 VAL 77 13.946 10.037 1.319 547 HG21 VAL 77 HG21 VAL 77 11.964 10.430 -0.373 548 HG22 VAL 77 HG22 VAL 77 12.692 11.081 -1.842 549 HG23 VAL 77 HG23 VAL 77 13.480 9.761 -0.978 550 H ASN 78 H ASN 78 13.009 15.502 -0.289 551 HA ASN 78 HA ASN 78 15.181 16.631 0.425 552 HB2 ASN 78 HB2 ASN 78 14.077 18.377 1.708 553 HB3 ASN 78 HB3 ASN 78 13.031 17.863 0.389 554 HD21 ASN 78 HD21 ASN 78 13.071 18.678 3.543 555 HD22 ASN 78 HD22 ASN 78 11.661 17.842 4.088 556 H ILE 79 H ILE 79 13.179 15.225 3.015 557 HA ILE 79 HA ILE 79 14.388 15.590 5.292 558 HB ILE 79 HB ILE 79 13.975 12.777 4.273 559 HG12 ILE 79 HG12 ILE 79 11.920 13.905 6.005 560 HG13 ILE 79 HG13 ILE 79 12.099 14.812 4.507 561 HG21 ILE 79 HG21 ILE 79 13.822 13.744 7.115 562 HG22 ILE 79 HG22 ILE 79 13.867 12.083 6.526 563 HG23 ILE 79 HG23 ILE 79 15.303 13.100 6.405 564 HD11 ILE 79 HD11 ILE 79 11.772 12.756 3.231 565 HD12 ILE 79 HD12 ILE 79 11.577 11.858 4.736 566 HD13 ILE 79 HD13 ILE 79 10.405 13.097 4.290 567 HA PRO 80 HA PRO 80 18.742 14.976 4.915 568 HB2 PRO 80 HB2 PRO 80 19.341 14.849 7.560 569 HB3 PRO 80 HB3 PRO 80 18.933 16.360 6.739 570 HG2 PRO 80 HG2 PRO 80 17.203 14.593 8.425 571 HG3 PRO 80 HG3 PRO 80 17.323 16.362 8.417 572 HD2 PRO 80 HD2 PRO 80 15.321 15.033 7.171 573 HD3 PRO 80 HD3 PRO 80 15.967 16.572 6.565 574 H TYR 81 H TYR 81 18.515 12.840 3.965 575 HA TYR 81 HA TYR 81 19.561 10.788 5.723 576 HB2 TYR 81 HB2 TYR 81 16.812 10.722 4.609 577 HB3 TYR 81 HB3 TYR 81 17.735 9.226 4.512 578 HD1 TYR 81 HD1 TYR 81 18.919 8.514 6.764 579 HD2 TYR 81 HD2 TYR 81 15.577 11.136 6.517 580 HE1 TYR 81 HE1 TYR 81 18.362 8.015 9.107 581 HE2 TYR 81 HE2 TYR 81 15.012 10.645 8.860 582 HH TYR 81 HH TYR 81 17.144 8.987 10.957 583 H LYS 82 H LYS 82 20.525 9.031 4.598 584 HA LYS 82 HA LYS 82 20.875 9.473 1.707 585 HB2 LYS 82 HB2 LYS 82 22.900 10.242 2.672 586 HB3 LYS 82 HB3 LYS 82 22.964 8.893 3.800 587 HG2 LYS 82 HG2 LYS 82 23.498 7.362 2.044 588 HG3 LYS 82 HG3 LYS 82 23.227 8.601 0.816 589 HD2 LYS 82 HD2 LYS 82 25.165 9.769 1.398 590 HD3 LYS 82 HD3 LYS 82 25.279 8.977 2.972 591 HE2 LYS 82 HE2 LYS 82 25.432 7.267 0.550 592 HE3 LYS 82 HE3 LYS 82 26.820 8.291 0.916 593 HZ1 LYS 82 HZ1 LYS 82 25.857 6.915 3.226 594 HZ2 LYS 82 HZ2 LYS 82 27.417 6.962 2.575 595 HZ3 LYS 82 HZ3 LYS 82 26.293 5.839 1.996 596 H ILE 83 H ILE 83 21.527 7.559 0.499 597 HA ILE 83 HA ILE 83 20.083 5.231 1.403 598 HB ILE 83 HB ILE 83 20.904 4.277 -0.824 599 HG12 ILE 83 HG12 ILE 83 21.920 5.687 -2.397 600 HG13 ILE 83 HG13 ILE 83 21.494 7.144 -1.507 601 HG21 ILE 83 HG21 ILE 83 19.023 5.066 -1.809 602 HG22 ILE 83 HG22 ILE 83 18.716 5.669 -0.181 603 HG23 ILE 83 HG23 ILE 83 19.384 6.745 -1.408 604 HD11 ILE 83 HD11 ILE 83 23.914 6.535 -1.467 605 HD12 ILE 83 HD12 ILE 83 23.171 6.730 0.121 606 HD13 ILE 83 HD13 ILE 83 23.477 5.115 -0.517 607 H SER 84 H SER 84 21.082 3.035 1.129 608 HA SER 84 HA SER 84 23.651 2.290 1.008 609 HB2 SER 84 HB2 SER 84 24.605 3.682 2.578 610 HB3 SER 84 HB3 SER 84 23.155 3.720 3.581 611 HG SER 84 HG SER 84 25.132 2.432 4.266 612 HA PRO 85 HA PRO 85 21.759 -1.534 2.054 613 HB2 PRO 85 HB2 PRO 85 23.963 -3.042 2.543 614 HB3 PRO 85 HB3 PRO 85 23.483 -2.541 0.917 615 HG2 PRO 85 HG2 PRO 85 25.547 -1.355 2.733 616 HG3 PRO 85 HG3 PRO 85 25.638 -1.670 0.990 617 HD2 PRO 85 HD2 PRO 85 25.134 0.791 2.001 618 HD3 PRO 85 HD3 PRO 85 24.457 0.237 0.456 619 H SER 86 H SER 86 22.139 0.446 4.241 620 HA SER 86 HA SER 86 22.242 -1.474 6.468 621 HB2 SER 86 HB2 SER 86 23.295 1.355 6.640 622 HB3 SER 86 HB3 SER 86 23.428 0.085 7.856 623 HG SER 86 HG SER 86 24.476 -0.430 5.323 624 H THR 87 H THR 87 21.092 1.653 5.292 625 HA THR 87 HA THR 87 19.310 2.159 7.435 626 HB THR 87 HB THR 87 20.153 3.866 5.765 627 HG1 THR 87 HG1 THR 87 18.285 4.127 7.231 628 HG21 THR 87 HG21 THR 87 17.861 2.920 4.058 629 HG22 THR 87 HG22 THR 87 19.524 2.402 3.778 630 HG23 THR 87 HG23 THR 87 19.101 4.110 3.665 631 H ASP 88 H ASP 88 17.350 1.375 7.860 632 HA ASP 88 HA ASP 88 16.056 -0.296 5.812 633 HB2 ASP 88 HB2 ASP 88 16.695 -1.456 7.904 634 HB3 ASP 88 HB3 ASP 88 15.672 -0.347 8.812 635 H CYS 89 H CYS 89 15.912 2.727 6.537 636 HA CYS 89 HA CYS 89 14.342 4.377 6.616 637 HB2 CYS 89 HB2 CYS 89 12.927 2.228 5.047 638 HB3 CYS 89 HB3 CYS 89 12.198 3.805 5.327 639 H ASN 90 H ASN 90 14.409 2.369 8.817 640 HA ASN 90 HA ASN 90 11.638 2.268 9.702 641 HB2 ASN 90 HB2 ASN 90 13.525 0.441 10.001 642 HB3 ASN 90 HB3 ASN 90 13.919 1.396 11.428 643 HD21 ASN 90 HD21 ASN 90 12.435 1.530 13.115 644 HD22 ASN 90 HD22 ASN 90 11.128 0.411 13.272 645 H ARG 91 H ARG 91 14.538 4.090 10.249 646 HA ARG 91 HA ARG 91 13.627 5.273 12.716 647 HB2 ARG 91 HB2 ARG 91 16.021 5.566 10.958 648 HB3 ARG 91 HB3 ARG 91 15.641 6.870 12.075 649 HG2 ARG 91 HG2 ARG 91 15.576 5.090 13.888 650 HG3 ARG 91 HG3 ARG 91 16.331 4.021 12.704 651 HD2 ARG 91 HD2 ARG 91 18.299 5.211 12.684 652 HD3 ARG 91 HD3 ARG 91 17.521 6.709 13.192 653 HE ARG 91 HE ARG 91 18.723 4.792 14.876 654 HH11 ARG 91 HH11 ARG 91 15.943 6.878 14.684 655 HH12 ARG 91 HH12 ARG 91 15.777 7.032 16.402 656 HH21 ARG 91 HH21 ARG 91 18.515 4.986 17.139 657 HH22 ARG 91 HH22 ARG 91 17.241 5.956 17.797 658 H VAL 92 H VAL 92 13.310 5.908 9.348 659 HA VAL 92 HA VAL 92 12.663 8.708 9.666 660 HB VAL 92 HB VAL 92 12.296 6.936 7.246 661 HG11 VAL 92 HG11 VAL 92 11.042 8.728 6.654 662 HG12 VAL 92 HG12 VAL 92 11.855 9.810 7.786 663 HG13 VAL 92 HG13 VAL 92 12.622 9.399 6.252 664 HG21 VAL 92 HG21 VAL 92 14.675 7.825 8.462 665 HG22 VAL 92 HG22 VAL 92 14.486 7.049 6.890 666 HG23 VAL 92 HG23 VAL 92 14.447 8.807 7.014 667 H VAL 93 H VAL 93 11.072 6.459 10.962 668 HA VAL 93 HA VAL 93 8.638 5.902 10.009 669 HB VAL 93 HB VAL 93 8.970 5.211 12.202 670 HG11 VAL 93 HG11 VAL 93 9.139 7.317 13.937 671 HG12 VAL 93 HG12 VAL 93 10.509 6.383 13.331 672 HG13 VAL 93 HG13 VAL 93 10.060 7.901 12.552 673 HG21 VAL 93 HG21 VAL 93 6.704 6.613 11.611 674 HG22 VAL 93 HG22 VAL 93 6.938 5.629 13.055 675 HG23 VAL 93 HG23 VAL 93 7.219 7.369 13.120 Start of MODEL 7 1 H1 LEU 1 H LEU 1 2.180 0.620 1.311 2 HA LEU 1 HA LEU 1 1.708 0.625 -1.522 3 HB2 LEU 1 HB2 LEU 1 3.351 2.050 -0.038 4 HB3 LEU 1 HB3 LEU 1 4.449 0.709 -0.357 5 HG LEU 1 HG LEU 1 4.464 1.152 -2.681 6 HD11 LEU 1 HD11 LEU 1 3.014 3.250 -3.400 7 HD12 LEU 1 HD12 LEU 1 1.996 2.682 -2.077 8 HD13 LEU 1 HD13 LEU 1 2.365 1.610 -3.427 9 HD21 LEU 1 HD21 LEU 1 5.024 3.261 -0.782 10 HD22 LEU 1 HD22 LEU 1 4.643 3.906 -2.379 11 HD23 LEU 1 HD23 LEU 1 5.948 2.735 -2.188 12 H THR 2 H THR 2 2.192 -0.902 -2.990 13 HA THR 2 HA THR 2 3.211 -3.457 -1.980 14 HB THR 2 HB THR 2 2.324 -4.440 -4.051 15 HG1 THR 2 HG1 THR 2 2.407 -2.834 -5.546 16 HG21 THR 2 HG21 THR 2 0.851 -3.422 -1.910 17 HG22 THR 2 HG22 THR 2 0.343 -4.670 -3.048 18 HG23 THR 2 HG23 THR 2 -0.071 -2.983 -3.348 19 H CYS 3 H CYS 3 5.129 -4.263 -2.573 20 HA CYS 3 HA CYS 3 7.209 -2.869 -3.554 21 HB2 CYS 3 HB2 CYS 3 6.536 -5.775 -3.679 22 HB3 CYS 3 HB3 CYS 3 7.946 -5.207 -4.568 23 H GLY 4 H GLY 4 4.713 -4.431 -5.482 24 HA2 GLY 4 HA2 GLY 4 5.765 -4.387 -8.007 25 HA3 GLY 4 HA3 GLY 4 4.075 -4.048 -7.661 26 H GLN 5 H GLN 5 3.812 -1.701 -6.701 27 HA GLN 5 HA GLN 5 4.477 0.078 -8.784 28 HB2 GLN 5 HB2 GLN 5 3.175 0.314 -6.118 29 HB3 GLN 5 HB3 GLN 5 3.755 1.792 -6.874 30 HG2 GLN 5 HG2 GLN 5 2.448 1.026 -8.936 31 HG3 GLN 5 HG3 GLN 5 1.656 -0.109 -7.843 32 HE21 GLN 5 HE21 GLN 5 -0.243 0.603 -7.225 33 HE22 GLN 5 HE22 GLN 5 -0.656 2.241 -6.864 34 H VAL 6 H VAL 6 5.836 -0.423 -5.560 35 HA VAL 6 HA VAL 6 7.495 1.715 -5.257 36 HB VAL 6 HB VAL 6 8.219 -1.159 -4.669 37 HG11 VAL 6 HG11 VAL 6 9.910 -0.398 -3.256 38 HG12 VAL 6 HG12 VAL 6 10.066 0.633 -4.679 39 HG13 VAL 6 HG13 VAL 6 9.276 1.247 -3.227 40 HG21 VAL 6 HG21 VAL 6 7.276 0.704 -2.567 41 HG22 VAL 6 HG22 VAL 6 6.071 0.085 -3.696 42 HG23 VAL 6 HG23 VAL 6 7.034 -1.035 -2.732 43 H THR 7 H THR 7 8.398 -1.301 -6.936 44 HA THR 7 HA THR 7 10.877 -0.304 -7.880 45 HB THR 7 HB THR 7 9.435 -2.491 -9.327 46 HG1 THR 7 HG1 THR 7 10.659 -2.789 -6.769 47 HG21 THR 7 HG21 THR 7 11.772 -3.489 -9.130 48 HG22 THR 7 HG22 THR 7 12.278 -1.910 -8.530 49 HG23 THR 7 HG23 THR 7 11.604 -2.063 -10.152 50 H GLY 8 H GLY 8 7.649 -0.516 -9.311 51 HA2 GLY 8 HA2 GLY 8 8.333 0.260 -11.923 52 HA3 GLY 8 HA3 GLY 8 6.750 0.453 -11.187 53 H ALA 9 H ALA 9 8.089 2.105 -9.015 54 HA ALA 9 HA ALA 9 7.848 4.636 -10.426 55 HB1 ALA 9 HB1 ALA 9 7.752 3.775 -7.587 56 HB2 ALA 9 HB2 ALA 9 8.241 5.435 -7.931 57 HB3 ALA 9 HB3 ALA 9 6.675 4.844 -8.485 58 H LEU 10 H LEU 10 10.241 2.907 -8.460 59 HA LEU 10 HA LEU 10 12.234 4.960 -8.866 60 HB2 LEU 10 HB2 LEU 10 12.196 2.309 -7.469 61 HB3 LEU 10 HB3 LEU 10 13.709 3.172 -7.740 62 HG LEU 10 HG LEU 10 12.350 3.394 -5.481 63 HD11 LEU 10 HD11 LEU 10 14.503 4.545 -6.368 64 HD12 LEU 10 HD12 LEU 10 13.636 5.248 -5.003 65 HD13 LEU 10 HD13 LEU 10 13.443 5.932 -6.618 66 HD21 LEU 10 HD21 LEU 10 11.039 5.522 -5.544 67 HD22 LEU 10 HD22 LEU 10 10.280 4.167 -6.379 68 HD23 LEU 10 HD23 LEU 10 11.088 5.433 -7.305 69 H ALA 11 H ALA 11 11.002 2.788 -10.894 70 HA ALA 11 HA ALA 11 13.159 1.363 -11.958 71 HB1 ALA 11 HB1 ALA 11 11.614 1.782 -14.144 72 HB2 ALA 11 HB2 ALA 11 11.295 0.555 -12.918 73 HB3 ALA 11 HB3 ALA 11 10.462 2.108 -12.849 74 HA PRO 12 HA PRO 12 13.815 4.944 -15.120 75 HB2 PRO 12 HB2 PRO 12 12.421 7.241 -14.735 76 HB3 PRO 12 HB3 PRO 12 11.805 5.894 -15.699 77 HG2 PRO 12 HG2 PRO 12 11.189 6.632 -12.864 78 HG3 PRO 12 HG3 PRO 12 10.086 6.101 -14.147 79 HD2 PRO 12 HD2 PRO 12 10.977 4.433 -12.209 80 HD3 PRO 12 HD3 PRO 12 10.616 3.877 -13.856 81 H CYS 13 H CYS 13 13.955 4.982 -11.836 82 HA CYS 13 HA CYS 13 15.385 7.502 -11.562 83 HB2 CYS 13 HB2 CYS 13 14.459 5.390 -9.634 84 HB3 CYS 13 HB3 CYS 13 15.634 6.604 -9.140 85 H LEU 14 H LEU 14 16.012 4.060 -11.676 86 HA LEU 14 HA LEU 14 18.565 3.887 -10.672 87 HB2 LEU 14 HB2 LEU 14 17.663 2.480 -13.174 88 HB3 LEU 14 HB3 LEU 14 18.864 1.934 -12.005 89 HG LEU 14 HG LEU 14 15.872 2.004 -11.706 90 HD11 LEU 14 HD11 LEU 14 17.960 -0.162 -11.607 91 HD12 LEU 14 HD12 LEU 14 16.663 0.035 -12.785 92 HD13 LEU 14 HD13 LEU 14 16.281 -0.393 -11.118 93 HD21 LEU 14 HD21 LEU 14 17.926 1.490 -9.557 94 HD22 LEU 14 HD22 LEU 14 16.180 1.294 -9.394 95 HD23 LEU 14 HD23 LEU 14 16.868 2.897 -9.657 96 H GLY 15 H GLY 15 17.552 4.967 -13.885 97 HA2 GLY 15 HA2 GLY 15 19.921 5.111 -15.239 98 HA3 GLY 15 HA3 GLY 15 18.650 6.314 -15.398 99 H TYR 16 H TYR 16 18.726 7.469 -12.872 100 HA TYR 16 HA TYR 16 21.088 9.105 -13.147 101 HB2 TYR 16 HB2 TYR 16 19.063 10.277 -12.687 102 HB3 TYR 16 HB3 TYR 16 18.689 9.234 -11.320 103 HD1 TYR 16 HD1 TYR 16 20.967 11.899 -12.506 104 HD2 TYR 16 HD2 TYR 16 19.520 9.714 -9.154 105 HE1 TYR 16 HE1 TYR 16 22.075 13.493 -10.996 106 HE2 TYR 16 HE2 TYR 16 20.622 11.303 -7.635 107 HH TYR 16 HH TYR 16 21.399 13.706 -7.732 108 H LEU 17 H LEU 17 20.068 6.450 -11.222 109 HA LEU 17 HA LEU 17 21.821 6.930 -9.006 110 HB2 LEU 17 HB2 LEU 17 20.462 4.387 -9.887 111 HB3 LEU 17 HB3 LEU 17 21.243 4.653 -8.330 112 HG LEU 17 HG LEU 17 18.785 6.094 -9.325 113 HD11 LEU 17 HD11 LEU 17 18.843 3.531 -8.536 114 HD12 LEU 17 HD12 LEU 17 17.489 4.615 -8.220 115 HD13 LEU 17 HD13 LEU 17 18.695 4.324 -6.967 116 HD21 LEU 17 HD21 LEU 17 20.659 6.790 -7.331 117 HD22 LEU 17 HD22 LEU 17 19.201 6.236 -6.507 118 HD23 LEU 17 HD23 LEU 17 19.106 7.548 -7.682 119 H ARG 18 H ARG 18 21.975 5.077 -11.994 120 HA ARG 18 HA ARG 18 24.593 4.007 -11.303 121 HB2 ARG 18 HB2 ARG 18 22.688 3.581 -13.588 122 HB3 ARG 18 HB3 ARG 18 24.356 3.032 -13.691 123 HG2 ARG 18 HG2 ARG 18 23.553 1.140 -12.815 124 HG3 ARG 18 HG3 ARG 18 23.619 2.019 -11.286 125 HD2 ARG 18 HD2 ARG 18 21.436 1.612 -11.098 126 HD3 ARG 18 HD3 ARG 18 21.204 2.791 -12.388 127 HE ARG 18 HE ARG 18 21.125 -0.114 -12.640 128 HH11 ARG 18 HH11 ARG 18 21.001 3.014 -14.163 129 HH12 ARG 18 HH12 ARG 18 20.287 2.419 -15.625 130 HH21 ARG 18 HH21 ARG 18 20.185 -0.910 -14.560 131 HH22 ARG 18 HH22 ARG 18 19.823 0.187 -15.849 132 H THR 19 H THR 19 23.239 6.669 -12.959 133 HA THR 19 HA THR 19 25.319 7.140 -14.838 134 HB THR 19 HB THR 19 23.120 8.843 -13.708 135 HG1 THR 19 HG1 THR 19 23.728 7.544 -16.118 136 HG21 THR 19 HG21 THR 19 24.616 10.568 -13.941 137 HG22 THR 19 HG22 THR 19 23.996 10.477 -15.590 138 HG23 THR 19 HG23 THR 19 25.545 9.738 -15.188 139 H ALA 20 H ALA 20 27.351 7.235 -14.034 140 HA ALA 20 HA ALA 20 27.932 8.724 -11.617 141 HB1 ALA 20 HB1 ALA 20 29.456 6.909 -13.412 142 HB2 ALA 20 HB2 ALA 20 30.357 8.055 -12.417 143 HB3 ALA 20 HB3 ALA 20 29.281 6.882 -11.657 144 H GLY 21 H GLY 21 29.300 10.537 -11.493 145 HA2 GLY 21 HA2 GLY 21 30.754 12.129 -12.669 146 HA3 GLY 21 HA3 GLY 21 29.678 11.969 -14.050 147 H SER 22 H SER 22 29.191 14.143 -14.191 148 HA SER 22 HA SER 22 27.696 15.268 -11.914 149 HB2 SER 22 HB2 SER 22 29.790 16.486 -12.492 150 HB3 SER 22 HB3 SER 22 29.137 16.786 -14.102 151 HG SER 22 HG SER 22 28.795 18.533 -12.624 152 H VAL 23 H VAL 23 25.587 15.470 -12.211 153 HA VAL 23 HA VAL 23 24.484 16.417 -14.690 154 HB VAL 23 HB VAL 23 23.025 14.522 -15.136 155 HG11 VAL 23 HG11 VAL 23 24.653 13.001 -16.059 156 HG12 VAL 23 HG12 VAL 23 25.245 14.655 -16.228 157 HG13 VAL 23 HG13 VAL 23 25.894 13.608 -14.965 158 HG21 VAL 23 HG21 VAL 23 24.565 12.886 -13.148 159 HG22 VAL 23 HG22 VAL 23 23.104 13.759 -12.685 160 HG23 VAL 23 HG23 VAL 23 23.030 12.517 -13.935 161 HA PRO 24 HA PRO 24 21.483 17.985 -11.883 162 HB2 PRO 24 HB2 PRO 24 19.453 18.476 -13.618 163 HB3 PRO 24 HB3 PRO 24 20.915 19.467 -13.544 164 HG2 PRO 24 HG2 PRO 24 20.212 17.266 -15.448 165 HG3 PRO 24 HG3 PRO 24 20.964 18.836 -15.782 166 HD2 PRO 24 HD2 PRO 24 22.394 16.543 -15.609 167 HD3 PRO 24 HD3 PRO 24 23.052 18.118 -15.121 168 H VAL 25 H VAL 25 19.738 17.321 -10.685 169 HA VAL 25 HA VAL 25 19.063 14.654 -10.540 170 HB VAL 25 HB VAL 25 17.788 17.144 -9.525 171 HG11 VAL 25 HG11 VAL 25 15.747 16.212 -9.871 172 HG12 VAL 25 HG12 VAL 25 16.383 14.567 -9.921 173 HG13 VAL 25 HG13 VAL 25 16.156 15.379 -8.372 174 HG21 VAL 25 HG21 VAL 25 19.680 15.968 -8.393 175 HG22 VAL 25 HG22 VAL 25 18.245 16.170 -7.388 176 HG23 VAL 25 HG23 VAL 25 18.596 14.604 -8.118 177 HA PRO 26 HA PRO 26 16.376 13.950 -13.971 178 HB2 PRO 26 HB2 PRO 26 15.261 11.630 -13.107 179 HB3 PRO 26 HB3 PRO 26 16.913 11.729 -13.729 180 HG2 PRO 26 HG2 PRO 26 15.957 11.672 -10.893 181 HG3 PRO 26 HG3 PRO 26 17.324 10.816 -11.630 182 HD2 PRO 26 HD2 PRO 26 17.636 13.076 -10.171 183 HD3 PRO 26 HD3 PRO 26 18.696 12.666 -11.534 184 H LEU 27 H LEU 27 14.576 15.086 -14.300 185 HA LEU 27 HA LEU 27 12.765 15.855 -12.297 186 HB2 LEU 27 HB2 LEU 27 13.226 16.811 -14.681 187 HB3 LEU 27 HB3 LEU 27 11.953 15.693 -15.168 188 HG LEU 27 HG LEU 27 10.552 16.868 -13.334 189 HD11 LEU 27 HD11 LEU 27 12.928 18.640 -13.581 190 HD12 LEU 27 HD12 LEU 27 11.951 18.248 -12.167 191 HD13 LEU 27 HD13 LEU 27 11.339 19.377 -13.375 192 HD21 LEU 27 HD21 LEU 27 10.803 18.877 -15.371 193 HD22 LEU 27 HD22 LEU 27 9.509 17.709 -15.103 194 HD23 LEU 27 HD23 LEU 27 10.907 17.267 -16.084 195 H THR 28 H THR 28 12.168 13.635 -15.028 196 HA THR 28 HA THR 28 9.712 12.675 -14.331 197 HB THR 28 HB THR 28 10.489 10.453 -15.366 198 HG1 THR 28 HG1 THR 28 12.549 10.269 -15.813 199 HG21 THR 28 HG21 THR 28 9.299 12.030 -16.706 200 HG22 THR 28 HG22 THR 28 10.704 11.514 -17.639 201 HG23 THR 28 HG23 THR 28 10.710 13.080 -16.829 202 H CYS 29 H CYS 29 12.831 11.304 -13.282 203 HA CYS 29 HA CYS 29 11.865 9.250 -11.694 204 HB2 CYS 29 HB2 CYS 29 14.189 9.287 -12.120 205 HB3 CYS 29 HB3 CYS 29 14.358 10.929 -11.507 206 H CYS 30 H CYS 30 12.467 12.636 -10.837 207 HA CYS 30 HA CYS 30 11.974 12.508 -8.111 208 HB2 CYS 30 HB2 CYS 30 11.377 14.732 -10.071 209 HB3 CYS 30 HB3 CYS 30 11.309 14.916 -8.321 210 H ASN 31 H ASN 31 9.652 13.210 -10.720 211 HA ASN 31 HA ASN 31 7.346 13.661 -9.443 212 HB2 ASN 31 HB2 ASN 31 7.984 12.086 -11.883 213 HB3 ASN 31 HB3 ASN 31 6.350 11.942 -11.241 214 HD21 ASN 31 HD21 ASN 31 4.975 13.268 -12.150 215 HD22 ASN 31 HD22 ASN 31 5.320 14.853 -12.745 216 H GLY 32 H GLY 32 8.791 10.439 -9.821 217 HA2 GLY 32 HA2 GLY 32 6.707 9.099 -8.394 218 HA3 GLY 32 HA3 GLY 32 8.270 8.424 -8.830 219 H VAL 33 H VAL 33 9.871 10.384 -7.506 220 HA VAL 33 HA VAL 33 9.957 9.248 -4.914 221 HB VAL 33 HB VAL 33 11.323 11.753 -5.909 222 HG11 VAL 33 HG11 VAL 33 11.947 11.984 -3.783 223 HG12 VAL 33 HG12 VAL 33 11.291 10.406 -3.342 224 HG13 VAL 33 HG13 VAL 33 12.920 10.531 -4.008 225 HG21 VAL 33 HG21 VAL 33 12.430 8.955 -5.765 226 HG22 VAL 33 HG22 VAL 33 11.768 9.673 -7.234 227 HG23 VAL 33 HG23 VAL 33 13.193 10.380 -6.472 228 H ARG 34 H ARG 34 9.099 12.524 -6.023 229 HA ARG 34 HA ARG 34 8.471 13.653 -3.579 230 HB2 ARG 34 HB2 ARG 34 8.472 15.183 -5.308 231 HB3 ARG 34 HB3 ARG 34 7.552 14.134 -6.378 232 HG2 ARG 34 HG2 ARG 34 5.518 14.635 -5.264 233 HG3 ARG 34 HG3 ARG 34 6.369 15.453 -3.951 234 HD2 ARG 34 HD2 ARG 34 7.214 17.086 -5.679 235 HD3 ARG 34 HD3 ARG 34 6.083 16.347 -6.811 236 HE ARG 34 HE ARG 34 5.455 18.137 -4.646 237 HH11 ARG 34 HH11 ARG 34 4.243 15.671 -6.783 238 HH12 ARG 34 HH12 ARG 34 2.591 16.171 -6.636 239 HH21 ARG 34 HH21 ARG 34 3.283 18.805 -4.443 240 HH22 ARG 34 HH22 ARG 34 2.046 17.955 -5.305 241 H GLY 35 H GLY 35 6.335 11.846 -5.776 242 HA2 GLY 35 HA2 GLY 35 4.033 12.058 -4.125 243 HA3 GLY 35 HA3 GLY 35 4.257 10.918 -5.443 244 H LEU 36 H LEU 36 6.775 9.946 -4.081 245 HA LEU 36 HA LEU 36 5.569 7.793 -2.671 246 HB2 LEU 36 HB2 LEU 36 8.368 8.662 -3.231 247 HB3 LEU 36 HB3 LEU 36 8.078 7.409 -2.025 248 HG LEU 36 HG LEU 36 6.990 7.155 -4.809 249 HD11 LEU 36 HD11 LEU 36 9.408 5.654 -4.406 250 HD12 LEU 36 HD12 LEU 36 9.714 7.381 -4.225 251 HD13 LEU 36 HD13 LEU 36 8.981 6.766 -5.706 252 HD21 LEU 36 HD21 LEU 36 7.757 5.176 -2.665 253 HD22 LEU 36 HD22 LEU 36 7.156 4.759 -4.270 254 HD23 LEU 36 HD23 LEU 36 6.120 5.631 -3.139 255 H ASN 37 H ASN 37 7.903 10.247 -1.538 256 HA ASN 37 HA ASN 37 7.838 9.725 1.147 257 HB2 ASN 37 HB2 ASN 37 9.377 11.355 0.683 258 HB3 ASN 37 HB3 ASN 37 8.324 12.172 -0.469 259 HD21 ASN 37 HD21 ASN 37 7.139 13.868 0.185 260 HD22 ASN 37 HD22 ASN 37 7.108 14.476 1.801 261 H ASN 38 H ASN 38 5.344 11.114 -0.797 262 HA ASN 38 HA ASN 38 3.853 12.093 1.503 263 HB2 ASN 38 HB2 ASN 38 3.962 13.260 -0.781 264 HB3 ASN 38 HB3 ASN 38 2.867 12.001 -1.344 265 HD21 ASN 38 HD21 ASN 38 1.016 11.656 0.390 266 HD22 ASN 38 HD22 ASN 38 0.196 13.113 0.823 267 H ALA 39 H ALA 39 3.649 9.549 -0.943 268 HA ALA 39 HA ALA 39 1.156 8.512 -0.020 269 HB1 ALA 39 HB1 ALA 39 3.284 7.392 -1.828 270 HB2 ALA 39 HB2 ALA 39 1.793 6.531 -1.445 271 HB3 ALA 39 HB3 ALA 39 1.726 8.084 -2.278 272 H ALA 40 H ALA 40 4.415 8.181 1.002 273 HA ALA 40 HA ALA 40 3.884 5.704 2.456 274 HB1 ALA 40 HB1 ALA 40 6.074 6.356 1.160 275 HB2 ALA 40 HB2 ALA 40 6.470 7.163 2.678 276 HB3 ALA 40 HB3 ALA 40 6.149 5.429 2.658 277 H ARG 41 H ARG 41 2.770 8.491 3.068 278 HA ARG 41 HA ARG 41 3.728 9.748 5.238 279 HB2 ARG 41 HB2 ARG 41 1.405 10.136 5.977 280 HB3 ARG 41 HB3 ARG 41 1.597 10.349 4.242 281 HG2 ARG 41 HG2 ARG 41 0.799 7.907 4.073 282 HG3 ARG 41 HG3 ARG 41 0.233 8.142 5.728 283 HD2 ARG 41 HD2 ARG 41 -0.942 10.226 4.850 284 HD3 ARG 41 HD3 ARG 41 -0.610 9.596 3.238 285 HE ARG 41 HE ARG 41 -1.821 7.545 4.629 286 HH11 ARG 41 HH11 ARG 41 -2.628 10.789 3.659 287 HH12 ARG 41 HH12 ARG 41 -4.328 10.472 3.544 288 HH21 ARG 41 HH21 ARG 41 -4.057 7.114 4.482 289 HH22 ARG 41 HH22 ARG 41 -5.139 8.381 4.013 290 H THR 42 H THR 42 2.321 6.533 5.214 291 HA THR 42 HA THR 42 2.399 6.283 8.093 292 HB THR 42 HB THR 42 1.287 4.286 7.861 293 HG1 THR 42 HG1 THR 42 1.517 3.155 5.663 294 HG21 THR 42 HG21 THR 42 0.099 6.165 6.627 295 HG22 THR 42 HG22 THR 42 -0.407 4.524 6.225 296 HG23 THR 42 HG23 THR 42 0.663 5.409 5.138 297 H THR 43 H THR 43 3.817 5.056 9.293 298 HA THR 43 HA THR 43 6.478 4.894 8.411 299 HB THR 43 HB THR 43 5.113 3.586 10.766 300 HG1 THR 43 HG1 THR 43 5.265 5.620 11.372 301 HG21 THR 43 HG21 THR 43 8.068 3.778 10.164 302 HG22 THR 43 HG22 THR 43 7.105 2.300 10.151 303 HG23 THR 43 HG23 THR 43 7.356 3.177 11.661 304 H ILE 44 H ILE 44 3.888 2.521 8.498 305 HA ILE 44 HA ILE 44 5.435 0.224 7.998 306 HB ILE 44 HB ILE 44 2.546 0.883 7.509 307 HG12 ILE 44 HG12 ILE 44 2.125 -0.493 9.360 308 HG13 ILE 44 HG13 ILE 44 3.673 -1.318 9.216 309 HG21 ILE 44 HG21 ILE 44 2.533 -1.761 7.142 310 HG22 ILE 44 HG22 ILE 44 2.664 -0.613 5.810 311 HG23 ILE 44 HG23 ILE 44 4.112 -1.392 6.449 312 HD11 ILE 44 HD11 ILE 44 4.820 0.682 9.989 313 HD12 ILE 44 HD12 ILE 44 3.276 1.526 10.111 314 HD13 ILE 44 HD13 ILE 44 3.611 0.146 11.155 315 H ASP 45 H ASP 45 3.625 2.325 5.763 316 HA ASP 45 HA ASP 45 4.404 0.974 3.411 317 HB2 ASP 45 HB2 ASP 45 3.382 3.764 3.924 318 HB3 ASP 45 HB3 ASP 45 3.765 3.191 2.303 319 H ARG 46 H ARG 46 6.049 3.195 5.450 320 HA ARG 46 HA ARG 46 7.915 4.124 3.473 321 HB2 ARG 46 HB2 ARG 46 7.494 4.502 6.381 322 HB3 ARG 46 HB3 ARG 46 9.144 4.693 5.803 323 HG2 ARG 46 HG2 ARG 46 6.951 6.103 4.369 324 HG3 ARG 46 HG3 ARG 46 7.507 6.732 5.921 325 HD2 ARG 46 HD2 ARG 46 9.521 6.024 3.842 326 HD3 ARG 46 HD3 ARG 46 8.603 7.519 3.665 327 HE ARG 46 HE ARG 46 10.754 7.065 5.443 328 HH11 ARG 46 HH11 ARG 46 7.667 8.661 5.230 329 HH12 ARG 46 HH12 ARG 46 8.072 9.882 6.391 330 HH21 ARG 46 HH21 ARG 46 11.299 8.667 6.972 331 HH22 ARG 46 HH22 ARG 46 10.139 9.885 7.380 332 H ARG 47 H ARG 47 7.853 1.625 5.953 333 HA ARG 47 HA ARG 47 10.610 0.889 5.519 334 HB2 ARG 47 HB2 ARG 47 10.068 -0.986 7.082 335 HB3 ARG 47 HB3 ARG 47 9.745 0.613 7.739 336 HG2 ARG 47 HG2 ARG 47 7.403 0.356 7.433 337 HG3 ARG 47 HG3 ARG 47 7.629 -1.119 6.491 338 HD2 ARG 47 HD2 ARG 47 8.657 -0.969 9.293 339 HD3 ARG 47 HD3 ARG 47 6.942 -1.259 9.005 340 HE ARG 47 HE ARG 47 8.206 -3.077 7.417 341 HH11 ARG 47 HH11 ARG 47 8.308 -2.293 10.807 342 HH12 ARG 47 HH12 ARG 47 8.689 -3.909 11.303 343 HH21 ARG 47 HH21 ARG 47 8.708 -5.208 8.057 344 HH22 ARG 47 HH22 ARG 47 8.917 -5.566 9.738 345 H THR 48 H THR 48 7.426 -0.300 4.601 346 HA THR 48 HA THR 48 8.211 -2.765 3.508 347 HB THR 48 HB THR 48 5.863 -0.972 2.899 348 HG1 THR 48 HG1 THR 48 6.272 -2.401 4.927 349 HG21 THR 48 HG21 THR 48 6.458 -2.337 0.906 350 HG22 THR 48 HG22 THR 48 4.893 -2.760 1.601 351 HG23 THR 48 HG23 THR 48 6.296 -3.787 1.896 352 H ALA 49 H ALA 49 7.675 0.379 1.919 353 HA ALA 49 HA ALA 49 8.586 -0.553 -0.627 354 HB1 ALA 49 HB1 ALA 49 8.031 2.209 0.436 355 HB2 ALA 49 HB2 ALA 49 8.519 1.880 -1.227 356 HB3 ALA 49 HB3 ALA 49 7.003 1.225 -0.606 357 H CYS 50 H CYS 50 10.038 1.143 2.086 358 HA CYS 50 HA CYS 50 12.412 1.968 0.827 359 HB2 CYS 50 HB2 CYS 50 11.893 2.941 2.928 360 HB3 CYS 50 HB3 CYS 50 11.734 1.368 3.702 361 H ASN 51 H ASN 51 11.844 -0.860 2.929 362 HA ASN 51 HA ASN 51 14.339 -2.040 2.656 363 HB2 ASN 51 HB2 ASN 51 11.604 -3.134 3.233 364 HB3 ASN 51 HB3 ASN 51 12.971 -4.229 3.047 365 HD21 ASN 51 HD21 ASN 51 11.173 -2.914 5.298 366 HD22 ASN 51 HD22 ASN 51 12.327 -2.662 6.559 367 H CYS 52 H CYS 52 11.385 -2.762 0.792 368 HA CYS 52 HA CYS 52 12.256 -4.670 -0.921 369 HB2 CYS 52 HB2 CYS 52 10.000 -3.323 -0.814 370 HB3 CYS 52 HB3 CYS 52 10.743 -2.367 -2.092 371 H LEU 53 H LEU 53 12.377 -1.217 -1.815 372 HA LEU 53 HA LEU 53 14.052 -1.553 -4.025 373 HB2 LEU 53 HB2 LEU 53 13.553 0.811 -2.235 374 HB3 LEU 53 HB3 LEU 53 14.571 0.900 -3.671 375 HG LEU 53 HG LEU 53 11.784 -0.106 -3.970 376 HD11 LEU 53 HD11 LEU 53 12.560 2.750 -3.454 377 HD12 LEU 53 HD12 LEU 53 11.302 1.794 -2.670 378 HD13 LEU 53 HD13 LEU 53 11.104 2.308 -4.346 379 HD21 LEU 53 HD21 LEU 53 13.429 1.726 -5.703 380 HD22 LEU 53 HD22 LEU 53 11.980 0.822 -6.147 381 HD23 LEU 53 HD23 LEU 53 13.487 -0.033 -5.818 382 H LYS 54 H LYS 54 14.871 -0.544 -0.710 383 HA LYS 54 HA LYS 54 17.534 -0.100 -0.869 384 HB2 LYS 54 HB2 LYS 54 16.016 -0.147 1.202 385 HB3 LYS 54 HB3 LYS 54 16.425 -1.854 1.314 386 HG2 LYS 54 HG2 LYS 54 18.001 -0.976 2.701 387 HG3 LYS 54 HG3 LYS 54 18.886 -0.931 1.174 388 HD2 LYS 54 HD2 LYS 54 19.238 1.191 2.067 389 HD3 LYS 54 HD3 LYS 54 17.912 1.443 0.930 390 HE2 LYS 54 HE2 LYS 54 16.446 0.924 3.060 391 HE3 LYS 54 HE3 LYS 54 17.899 1.452 3.909 392 HZ1 LYS 54 HZ1 LYS 54 16.826 3.428 3.659 393 HZ2 LYS 54 HZ2 LYS 54 16.080 2.989 2.206 394 HZ3 LYS 54 HZ3 LYS 54 17.714 3.427 2.219 395 H GLN 55 H GLN 55 16.048 -3.316 -0.524 396 HA GLN 55 HA GLN 55 18.297 -4.886 -0.430 397 HB2 GLN 55 HB2 GLN 55 15.724 -5.471 -0.453 398 HB3 GLN 55 HB3 GLN 55 16.027 -5.775 -2.158 399 HG2 GLN 55 HG2 GLN 55 17.709 -7.029 -0.020 400 HG3 GLN 55 HG3 GLN 55 16.181 -7.741 -0.538 401 HE21 GLN 55 HE21 GLN 55 19.475 -7.142 -1.333 402 HE22 GLN 55 HE22 GLN 55 19.517 -8.063 -2.795 403 H THR 56 H THR 56 16.581 -3.854 -3.377 404 HA THR 56 HA THR 56 18.453 -4.992 -5.169 405 HB THR 56 HB THR 56 16.391 -2.821 -5.555 406 HG1 THR 56 HG1 THR 56 15.403 -4.601 -6.758 407 HG21 THR 56 HG21 THR 56 16.740 -3.087 -7.962 408 HG22 THR 56 HG22 THR 56 18.070 -4.204 -7.652 409 HG23 THR 56 HG23 THR 56 18.208 -2.513 -7.173 410 H ALA 57 H ALA 57 17.898 -1.587 -4.256 411 HA ALA 57 HA ALA 57 19.941 -0.389 -5.635 412 HB1 ALA 57 HB1 ALA 57 19.098 0.336 -2.833 413 HB2 ALA 57 HB2 ALA 57 19.868 1.395 -4.015 414 HB3 ALA 57 HB3 ALA 57 18.233 0.799 -4.299 415 H ASN 58 H ASN 58 20.139 -2.247 -2.664 416 HA ASN 58 HA ASN 58 22.846 -1.553 -2.078 417 HB2 ASN 58 HB2 ASN 58 20.955 -2.563 -0.542 418 HB3 ASN 58 HB3 ASN 58 21.616 -4.098 -1.099 419 HD21 ASN 58 HD21 ASN 58 22.384 -1.092 0.541 420 HD22 ASN 58 HD22 ASN 58 23.738 -1.703 1.423 421 H ALA 59 H ALA 59 21.267 -4.085 -3.912 422 HA ALA 59 HA ALA 59 23.523 -5.776 -4.203 423 HB1 ALA 59 HB1 ALA 59 21.276 -5.586 -6.185 424 HB2 ALA 59 HB2 ALA 59 22.247 -6.993 -5.749 425 HB3 ALA 59 HB3 ALA 59 21.070 -6.346 -4.606 426 H ILE 60 H ILE 60 22.301 -3.029 -6.025 427 HA ILE 60 HA ILE 60 23.903 -3.306 -8.315 428 HB ILE 60 HB ILE 60 22.835 -0.776 -7.058 429 HG12 ILE 60 HG12 ILE 60 21.725 -2.636 -9.166 430 HG13 ILE 60 HG13 ILE 60 21.029 -2.275 -7.590 431 HG21 ILE 60 HG21 ILE 60 24.480 -0.044 -8.533 432 HG22 ILE 60 HG22 ILE 60 24.149 -1.330 -9.692 433 HG23 ILE 60 HG23 ILE 60 23.010 0.004 -9.506 434 HD11 ILE 60 HD11 ILE 60 21.034 -0.659 -10.080 435 HD12 ILE 60 HD12 ILE 60 19.730 -0.973 -8.933 436 HD13 ILE 60 HD13 ILE 60 21.005 0.175 -8.526 437 H ALA 61 H ALA 61 26.041 -3.659 -8.059 438 HA ALA 61 HA ALA 61 27.661 -2.469 -6.076 439 HB1 ALA 61 HB1 ALA 61 29.522 -3.438 -7.224 440 HB2 ALA 61 HB2 ALA 61 28.181 -4.583 -7.290 441 HB3 ALA 61 HB3 ALA 61 28.583 -3.612 -8.707 442 H ASP 62 H ASP 62 26.219 -1.073 -8.705 443 HA ASP 62 HA ASP 62 28.321 0.982 -8.926 444 HB2 ASP 62 HB2 ASP 62 26.221 0.227 -10.970 445 HB3 ASP 62 HB3 ASP 62 27.429 1.495 -11.160 446 H LEU 63 H LEU 63 26.009 0.675 -7.019 447 HA LEU 63 HA LEU 63 24.201 2.811 -7.722 448 HB2 LEU 63 HB2 LEU 63 23.201 1.098 -6.488 449 HB3 LEU 63 HB3 LEU 63 24.535 1.026 -5.339 450 HG LEU 63 HG LEU 63 23.691 3.467 -4.757 451 HD11 LEU 63 HD11 LEU 63 21.155 3.392 -4.806 452 HD12 LEU 63 HD12 LEU 63 21.319 2.120 -6.016 453 HD13 LEU 63 HD13 LEU 63 21.968 3.729 -6.334 454 HD21 LEU 63 HD21 LEU 63 23.560 0.995 -3.577 455 HD22 LEU 63 HD22 LEU 63 21.874 1.513 -3.579 456 HD23 LEU 63 HD23 LEU 63 23.106 2.522 -2.819 457 H ASN 64 H ASN 64 24.888 4.846 -7.636 458 HA ASN 64 HA ASN 64 27.021 5.670 -5.896 459 HB2 ASN 64 HB2 ASN 64 26.332 6.562 -8.279 460 HB3 ASN 64 HB3 ASN 64 25.285 7.628 -7.347 461 HD21 ASN 64 HD21 ASN 64 27.450 8.435 -8.982 462 HD22 ASN 64 HD22 ASN 64 28.622 9.193 -7.964 463 H LEU 65 H LEU 65 26.316 5.405 -3.789 464 HA LEU 65 HA LEU 65 23.924 5.993 -2.634 465 HB2 LEU 65 HB2 LEU 65 26.592 6.665 -1.405 466 HB3 LEU 65 HB3 LEU 65 25.088 6.326 -0.550 467 HG LEU 65 HG LEU 65 26.989 4.444 -1.871 468 HD11 LEU 65 HD11 LEU 65 27.352 3.899 0.243 469 HD12 LEU 65 HD12 LEU 65 25.666 3.410 0.407 470 HD13 LEU 65 HD13 LEU 65 26.141 5.069 0.769 471 HD21 LEU 65 HD21 LEU 65 25.174 3.613 -2.986 472 HD22 LEU 65 HD22 LEU 65 24.026 4.185 -1.775 473 HD23 LEU 65 HD23 LEU 65 25.009 2.756 -1.454 474 H ASN 66 H ASN 66 26.567 8.289 -3.232 475 HA ASN 66 HA ASN 66 25.431 10.545 -2.070 476 HB2 ASN 66 HB2 ASN 66 27.165 10.471 -4.550 477 HB3 ASN 66 HB3 ASN 66 26.934 11.849 -3.478 478 HD21 ASN 66 HD21 ASN 66 27.131 10.727 -1.018 479 HD22 ASN 66 HD22 ASN 66 28.717 10.081 -0.785 480 H ALA 67 H ALA 67 24.899 9.110 -5.233 481 HA ALA 67 HA ALA 67 23.268 11.293 -6.171 482 HB1 ALA 67 HB1 ALA 67 23.352 8.567 -7.416 483 HB2 ALA 67 HB2 ALA 67 23.093 10.133 -8.185 484 HB3 ALA 67 HB3 ALA 67 24.695 9.697 -7.590 485 H ALA 68 H ALA 68 22.648 7.893 -5.293 486 HA ALA 68 HA ALA 68 19.842 8.053 -5.512 487 HB1 ALA 68 HB1 ALA 68 21.509 6.159 -3.858 488 HB2 ALA 68 HB2 ALA 68 19.810 5.942 -4.280 489 HB3 ALA 68 HB3 ALA 68 21.041 5.929 -5.543 490 H ALA 69 H ALA 69 21.995 9.233 -3.146 491 HA ALA 69 HA ALA 69 20.049 9.240 -0.994 492 HB1 ALA 69 HB1 ALA 69 22.770 10.536 -1.094 493 HB2 ALA 69 HB2 ALA 69 21.782 10.255 0.340 494 HB3 ALA 69 HB3 ALA 69 22.456 8.888 -0.547 495 H GLY 70 H GLY 70 21.739 11.658 -2.993 496 HA2 GLY 70 HA2 GLY 70 20.255 13.855 -1.914 497 HA3 GLY 70 HA3 GLY 70 21.304 13.899 -3.323 498 H LEU 71 H LEU 71 19.958 11.844 -4.795 499 HA LEU 71 HA LEU 71 18.254 13.209 -6.386 500 HB2 LEU 71 HB2 LEU 71 18.674 11.164 -7.262 501 HB3 LEU 71 HB3 LEU 71 18.556 10.353 -5.702 502 HG LEU 71 HG LEU 71 15.978 10.916 -6.041 503 HD11 LEU 71 HD11 LEU 71 16.791 11.970 -8.329 504 HD12 LEU 71 HD12 LEU 71 15.247 11.131 -8.185 505 HD13 LEU 71 HD13 LEU 71 16.644 10.297 -8.866 506 HD21 LEU 71 HD21 LEU 71 16.085 8.705 -5.838 507 HD22 LEU 71 HD22 LEU 71 17.698 8.651 -6.548 508 HD23 LEU 71 HD23 LEU 71 16.275 8.625 -7.590 509 HA PRO 72 HA PRO 72 14.337 11.941 -3.884 510 HB2 PRO 72 HB2 PRO 72 14.700 10.628 -1.536 511 HB3 PRO 72 HB3 PRO 72 14.545 9.796 -3.088 512 HG2 PRO 72 HG2 PRO 72 17.016 10.471 -1.539 513 HG3 PRO 72 HG3 PRO 72 16.604 8.970 -2.389 514 HD2 PRO 72 HD2 PRO 72 18.259 10.835 -3.445 515 HD3 PRO 72 HD3 PRO 72 17.197 9.825 -4.446 516 H ALA 73 H ALA 73 17.147 12.634 -1.831 517 HA ALA 73 HA ALA 73 15.910 14.034 0.212 518 HB1 ALA 73 HB1 ALA 73 18.404 13.355 -0.160 519 HB2 ALA 73 HB2 ALA 73 18.540 14.982 -0.829 520 HB3 ALA 73 HB3 ALA 73 18.003 14.755 0.836 521 H LYS 74 H LYS 74 16.273 14.908 -3.077 522 HA LYS 74 HA LYS 74 15.369 17.645 -2.459 523 HB2 LYS 74 HB2 LYS 74 17.277 16.645 -4.550 524 HB3 LYS 74 HB3 LYS 74 16.380 18.135 -4.807 525 HG2 LYS 74 HG2 LYS 74 17.468 19.242 -3.096 526 HG3 LYS 74 HG3 LYS 74 17.943 17.744 -2.291 527 HD2 LYS 74 HD2 LYS 74 19.856 18.841 -3.358 528 HD3 LYS 74 HD3 LYS 74 19.524 17.268 -4.085 529 HE2 LYS 74 HE2 LYS 74 19.849 18.582 -5.950 530 HE3 LYS 74 HE3 LYS 74 18.098 18.657 -5.766 531 HZ1 LYS 74 HZ1 LYS 74 19.877 20.778 -5.847 532 HZ2 LYS 74 HZ2 LYS 74 19.314 20.708 -4.254 533 HZ3 LYS 74 HZ3 LYS 74 18.216 20.842 -5.534 534 H CYS 75 H CYS 75 15.350 15.173 -5.030 535 HA CYS 75 HA CYS 75 13.539 15.943 -6.784 536 HB2 CYS 75 HB2 CYS 75 13.934 13.317 -5.450 537 HB3 CYS 75 HB3 CYS 75 12.478 13.505 -6.422 538 H GLY 76 H GLY 76 12.776 15.203 -3.441 539 HA2 GLY 76 HA2 GLY 76 10.565 16.855 -3.265 540 HA3 GLY 76 HA3 GLY 76 9.944 15.279 -3.733 541 H VAL 77 H VAL 77 11.923 13.766 -2.271 542 HA VAL 77 HA VAL 77 10.602 13.509 0.190 543 HB VAL 77 HB VAL 77 13.411 12.585 -0.421 544 HG11 VAL 77 HG11 VAL 77 11.932 10.759 1.160 545 HG12 VAL 77 HG12 VAL 77 13.359 11.694 1.611 546 HG13 VAL 77 HG13 VAL 77 11.747 12.360 1.875 547 HG21 VAL 77 HG21 VAL 77 12.634 10.965 -1.755 548 HG22 VAL 77 HG22 VAL 77 11.252 10.640 -0.708 549 HG23 VAL 77 HG23 VAL 77 11.179 11.952 -1.884 550 H ASN 78 H ASN 78 12.449 16.019 -0.744 551 HA ASN 78 HA ASN 78 14.061 17.346 0.355 552 HB2 ASN 78 HB2 ASN 78 11.784 18.331 0.533 553 HB3 ASN 78 HB3 ASN 78 11.589 17.532 2.090 554 HD21 ASN 78 HD21 ASN 78 11.267 19.604 3.011 555 HD22 ASN 78 HD22 ASN 78 12.611 20.633 3.358 556 H ILE 79 H ILE 79 14.421 14.629 1.204 557 HA ILE 79 HA ILE 79 15.523 15.155 3.860 558 HB ILE 79 HB ILE 79 13.822 12.744 3.219 559 HG12 ILE 79 HG12 ILE 79 13.292 14.513 5.545 560 HG13 ILE 79 HG13 ILE 79 12.913 15.162 3.954 561 HG21 ILE 79 HG21 ILE 79 14.650 13.059 5.978 562 HG22 ILE 79 HG22 ILE 79 14.741 11.648 4.926 563 HG23 ILE 79 HG23 ILE 79 16.024 12.857 4.890 564 HD11 ILE 79 HD11 ILE 79 11.893 12.521 4.958 565 HD12 ILE 79 HD12 ILE 79 11.016 14.043 5.117 566 HD13 ILE 79 HD13 ILE 79 11.382 13.399 3.517 567 HA PRO 80 HA PRO 80 18.939 13.242 1.729 568 HB2 PRO 80 HB2 PRO 80 20.703 13.477 3.780 569 HB3 PRO 80 HB3 PRO 80 20.257 14.832 2.736 570 HG2 PRO 80 HG2 PRO 80 19.246 14.130 5.465 571 HG3 PRO 80 HG3 PRO 80 19.695 15.716 4.812 572 HD2 PRO 80 HD2 PRO 80 17.122 14.896 5.009 573 HD3 PRO 80 HD3 PRO 80 17.685 15.973 3.714 574 H TYR 81 H TYR 81 17.702 11.184 1.835 575 HA TYR 81 HA TYR 81 18.653 9.431 4.002 576 HB2 TYR 81 HB2 TYR 81 16.137 9.457 2.378 577 HB3 TYR 81 HB3 TYR 81 16.715 7.938 3.055 578 HD1 TYR 81 HD2 TYR 81 17.584 10.768 5.049 579 HD2 TYR 81 HD1 TYR 81 14.435 8.029 4.224 580 HE1 TYR 81 HE2 TYR 81 16.537 11.332 7.202 581 HE2 TYR 81 HE1 TYR 81 13.379 8.586 6.374 582 HH TYR 81 HH TYR 81 13.353 10.219 8.044 583 H LYS 82 H LYS 82 20.640 8.942 3.038 584 HA LYS 82 HA LYS 82 20.908 8.022 0.370 585 HB2 LYS 82 HB2 LYS 82 23.158 7.587 0.893 586 HB3 LYS 82 HB3 LYS 82 22.726 8.954 1.911 587 HG2 LYS 82 HG2 LYS 82 22.353 7.372 3.785 588 HG3 LYS 82 HG3 LYS 82 22.946 6.071 2.749 589 HD2 LYS 82 HD2 LYS 82 24.800 6.738 4.041 590 HD3 LYS 82 HD3 LYS 82 25.048 7.473 2.456 591 HE2 LYS 82 HE2 LYS 82 25.552 9.154 4.031 592 HE3 LYS 82 HE3 LYS 82 23.955 9.552 3.399 593 HZ1 LYS 82 HZ1 LYS 82 23.009 8.436 5.381 594 HZ2 LYS 82 HZ2 LYS 82 23.922 9.810 5.753 595 HZ3 LYS 82 HZ3 LYS 82 24.574 8.269 6.002 596 H ILE 83 H ILE 83 21.614 5.843 -0.260 597 HA ILE 83 HA ILE 83 19.811 3.867 0.741 598 HB ILE 83 HB ILE 83 22.091 3.606 -1.222 599 HG12 ILE 83 HG12 ILE 83 20.603 4.930 -2.364 600 HG13 ILE 83 HG13 ILE 83 19.915 3.351 -2.732 601 HG21 ILE 83 HG21 ILE 83 20.411 1.621 0.039 602 HG22 ILE 83 HG22 ILE 83 20.225 1.609 -1.714 603 HG23 ILE 83 HG23 ILE 83 21.823 1.409 -0.996 604 HD11 ILE 83 HD11 ILE 83 18.975 5.315 -0.661 605 HD12 ILE 83 HD12 ILE 83 18.142 4.815 -2.133 606 HD13 ILE 83 HD13 ILE 83 18.362 3.668 -0.812 607 H SER 84 H SER 84 23.139 4.677 1.319 608 HA SER 84 HA SER 84 24.686 3.880 2.783 609 HB2 SER 84 HB2 SER 84 22.157 2.747 3.952 610 HB3 SER 84 HB3 SER 84 23.726 2.355 4.655 611 HG SER 84 HG SER 84 23.441 4.171 5.681 612 HA PRO 85 HA PRO 85 26.077 0.082 1.065 613 HB2 PRO 85 HB2 PRO 85 27.984 -0.584 2.879 614 HB3 PRO 85 HB3 PRO 85 28.187 0.725 1.709 615 HG2 PRO 85 HG2 PRO 85 27.405 0.868 4.595 616 HG3 PRO 85 HG3 PRO 85 28.532 1.894 3.689 617 HD2 PRO 85 HD2 PRO 85 25.996 2.659 4.251 618 HD3 PRO 85 HD3 PRO 85 26.839 3.160 2.772 619 H SER 86 H SER 86 24.656 0.260 4.187 620 HA SER 86 HA SER 86 24.323 -2.669 4.219 621 HB2 SER 86 HB2 SER 86 24.797 -0.715 6.441 622 HB3 SER 86 HB3 SER 86 23.872 -2.181 6.765 623 HG SER 86 HG SER 86 26.550 -1.865 6.375 624 H THR 87 H THR 87 22.348 -3.126 3.505 625 HA THR 87 HA THR 87 20.172 -1.476 3.274 626 HB THR 87 HB THR 87 18.850 -3.765 3.636 627 HG1 THR 87 HG1 THR 87 20.298 -5.501 3.078 628 HG21 THR 87 HG21 THR 87 20.228 -4.207 1.216 629 HG22 THR 87 HG22 THR 87 20.146 -2.459 1.438 630 HG23 THR 87 HG23 THR 87 18.667 -3.419 1.443 631 H ASP 88 H ASP 88 19.314 -0.261 4.834 632 HA ASP 88 HA ASP 88 18.160 -1.557 7.151 633 HB2 ASP 88 HB2 ASP 88 20.534 -0.919 7.781 634 HB3 ASP 88 HB3 ASP 88 20.043 0.762 7.589 635 H CYS 89 H CYS 89 16.154 -0.818 7.232 636 HA CYS 89 HA CYS 89 15.589 1.884 6.234 637 HB2 CYS 89 HB2 CYS 89 13.850 -0.553 6.605 638 HB3 CYS 89 HB3 CYS 89 13.183 1.041 6.268 639 H ASN 90 H ASN 90 16.009 0.212 9.097 640 HA ASN 90 HA ASN 90 14.058 1.078 10.825 641 HB2 ASN 90 HB2 ASN 90 16.265 -0.342 11.189 642 HB3 ASN 90 HB3 ASN 90 16.893 1.203 11.756 643 HD21 ASN 90 HD21 ASN 90 13.869 -0.633 12.084 644 HD22 ASN 90 HD22 ASN 90 13.760 -0.468 13.800 645 H ARG 91 H ARG 91 16.475 2.946 9.231 646 HA ARG 91 HA ARG 91 16.164 5.222 11.014 647 HB2 ARG 91 HB2 ARG 91 17.950 4.535 8.729 648 HB3 ARG 91 HB3 ARG 91 17.665 6.237 9.069 649 HG2 ARG 91 HG2 ARG 91 18.652 6.103 11.180 650 HG3 ARG 91 HG3 ARG 91 18.540 4.342 11.217 651 HD2 ARG 91 HD2 ARG 91 20.831 5.445 10.753 652 HD3 ARG 91 HD3 ARG 91 20.329 4.069 9.771 653 HE ARG 91 HE ARG 91 20.361 5.437 7.950 654 HH11 ARG 91 HH11 ARG 91 20.092 7.406 10.808 655 HH12 ARG 91 HH12 ARG 91 20.222 8.904 9.947 656 HH21 ARG 91 HH21 ARG 91 20.533 7.402 6.804 657 HH22 ARG 91 HH22 ARG 91 20.472 8.901 7.669 658 H VAL 92 H VAL 92 15.298 4.244 7.738 659 HA VAL 92 HA VAL 92 14.007 6.782 7.188 660 HB VAL 92 HB VAL 92 14.006 4.253 5.534 661 HG11 VAL 92 HG11 VAL 92 13.672 6.226 3.763 662 HG12 VAL 92 HG12 VAL 92 12.321 5.415 4.557 663 HG13 VAL 92 HG13 VAL 92 12.896 6.970 5.160 664 HG21 VAL 92 HG21 VAL 92 16.152 5.945 6.119 665 HG22 VAL 92 HG22 VAL 92 16.066 4.732 4.841 666 HG23 VAL 92 HG23 VAL 92 15.619 6.404 4.502 667 H VAL 93 H VAL 93 13.079 4.868 9.340 668 HA VAL 93 HA VAL 93 10.714 3.586 8.700 669 HB VAL 93 HB VAL 93 10.023 4.172 11.103 670 HG11 VAL 93 HG11 VAL 93 12.519 2.682 10.362 671 HG12 VAL 93 HG12 VAL 93 11.922 2.719 12.022 672 HG13 VAL 93 HG13 VAL 93 10.919 2.043 10.737 673 HG21 VAL 93 HG21 VAL 93 12.830 4.931 11.622 674 HG22 VAL 93 HG22 VAL 93 11.803 6.169 10.900 675 HG23 VAL 93 HG23 VAL 93 11.349 5.433 12.437 Start of MODEL 8 1 H1 LEU 1 H LEU 1 1.190 1.199 -1.028 2 HA LEU 1 HA LEU 1 3.056 1.094 -3.248 3 HB2 LEU 1 HB2 LEU 1 3.152 1.956 -0.410 4 HB3 LEU 1 HB3 LEU 1 4.663 1.442 -1.159 5 HG LEU 1 HG LEU 1 4.641 3.218 -2.687 6 HD11 LEU 1 HD11 LEU 1 1.782 3.758 -1.898 7 HD12 LEU 1 HD12 LEU 1 2.313 3.001 -3.399 8 HD13 LEU 1 HD13 LEU 1 2.733 4.680 -3.063 9 HD21 LEU 1 HD21 LEU 1 4.984 3.771 -0.199 10 HD22 LEU 1 HD22 LEU 1 3.401 4.543 -0.300 11 HD23 LEU 1 HD23 LEU 1 4.724 5.105 -1.323 12 H THR 2 H THR 2 3.584 -0.887 -3.925 13 HA THR 2 HA THR 2 4.505 -2.822 -1.907 14 HB THR 2 HB THR 2 3.515 -4.659 -3.061 15 HG1 THR 2 HG1 THR 2 2.120 -4.032 -4.978 16 HG21 THR 2 HG21 THR 2 1.903 -3.768 -1.624 17 HG22 THR 2 HG22 THR 2 1.050 -3.901 -3.162 18 HG23 THR 2 HG23 THR 2 1.664 -2.337 -2.627 19 H CYS 3 H CYS 3 5.947 -4.507 -2.829 20 HA CYS 3 HA CYS 3 8.214 -3.567 -3.941 21 HB2 CYS 3 HB2 CYS 3 6.926 -6.261 -4.036 22 HB3 CYS 3 HB3 CYS 3 8.375 -5.988 -4.998 23 H GLY 4 H GLY 4 5.244 -4.195 -5.616 24 HA2 GLY 4 HA2 GLY 4 6.399 -4.171 -8.253 25 HA3 GLY 4 HA3 GLY 4 4.686 -4.119 -7.862 26 H GLN 5 H GLN 5 4.605 -1.840 -6.268 27 HA GLN 5 HA GLN 5 4.680 0.189 -8.294 28 HB2 GLN 5 HB2 GLN 5 4.054 0.467 -5.350 29 HB3 GLN 5 HB3 GLN 5 3.681 1.634 -6.612 30 HG2 GLN 5 HG2 GLN 5 2.558 -1.154 -6.483 31 HG3 GLN 5 HG3 GLN 5 1.740 0.288 -5.884 32 HE21 GLN 5 HE21 GLN 5 1.960 2.132 -7.693 33 HE22 GLN 5 HE22 GLN 5 1.359 1.636 -9.234 34 H VAL 6 H VAL 6 6.275 -0.213 -5.133 35 HA VAL 6 HA VAL 6 7.820 2.023 -5.013 36 HB VAL 6 HB VAL 6 8.739 -0.769 -4.308 37 HG11 VAL 6 HG11 VAL 6 10.278 0.322 -2.769 38 HG12 VAL 6 HG12 VAL 6 10.584 0.843 -4.427 39 HG13 VAL 6 HG13 VAL 6 9.722 1.904 -3.313 40 HG21 VAL 6 HG21 VAL 6 7.712 -0.547 -2.255 41 HG22 VAL 6 HG22 VAL 6 7.664 1.213 -2.349 42 HG23 VAL 6 HG23 VAL 6 6.549 0.248 -3.316 43 H THR 7 H THR 7 9.010 -1.044 -6.401 44 HA THR 7 HA THR 7 11.326 0.046 -7.542 45 HB THR 7 HB THR 7 10.024 -2.276 -8.882 46 HG1 THR 7 HG1 THR 7 10.698 -2.124 -6.158 47 HG21 THR 7 HG21 THR 7 12.814 -1.668 -7.901 48 HG22 THR 7 HG22 THR 7 12.248 -1.648 -9.571 49 HG23 THR 7 HG23 THR 7 12.338 -3.172 -8.688 50 H GLY 8 H GLY 8 8.042 -0.227 -8.752 51 HA2 GLY 8 HA2 GLY 8 8.597 0.351 -11.467 52 HA3 GLY 8 HA3 GLY 8 7.043 0.547 -10.670 53 H ALA 9 H ALA 9 8.272 2.375 -8.655 54 HA ALA 9 HA ALA 9 7.906 4.804 -10.169 55 HB1 ALA 9 HB1 ALA 9 8.357 5.839 -7.852 56 HB2 ALA 9 HB2 ALA 9 6.882 4.900 -8.085 57 HB3 ALA 9 HB3 ALA 9 8.266 4.180 -7.262 58 H LEU 10 H LEU 10 10.551 3.154 -8.518 59 HA LEU 10 HA LEU 10 12.417 5.294 -9.086 60 HB2 LEU 10 HB2 LEU 10 12.817 2.554 -7.896 61 HB3 LEU 10 HB3 LEU 10 14.077 3.776 -8.051 62 HG LEU 10 HG LEU 10 11.916 3.520 -6.069 63 HD11 LEU 10 HD11 LEU 10 14.618 3.545 -5.996 64 HD12 LEU 10 HD12 LEU 10 13.583 3.937 -4.623 65 HD13 LEU 10 HD13 LEU 10 14.262 5.230 -5.612 66 HD21 LEU 10 HD21 LEU 10 11.918 6.000 -5.689 67 HD22 LEU 10 HD22 LEU 10 11.047 5.465 -7.127 68 HD23 LEU 10 HD23 LEU 10 12.655 6.175 -7.282 69 H ALA 11 H ALA 11 11.105 2.819 -10.847 70 HA ALA 11 HA ALA 11 13.149 1.583 -12.206 71 HB1 ALA 11 HB1 ALA 11 10.356 1.977 -12.590 72 HB2 ALA 11 HB2 ALA 11 11.178 2.216 -14.133 73 HB3 ALA 11 HB3 ALA 11 11.395 0.709 -13.242 74 HA PRO 12 HA PRO 12 13.295 5.282 -15.329 75 HB2 PRO 12 HB2 PRO 12 12.100 7.591 -14.548 76 HB3 PRO 12 HB3 PRO 12 11.254 6.329 -15.451 77 HG2 PRO 12 HG2 PRO 12 11.224 6.900 -12.512 78 HG3 PRO 12 HG3 PRO 12 9.874 6.488 -13.586 79 HD2 PRO 12 HD2 PRO 12 11.047 4.671 -11.957 80 HD3 PRO 12 HD3 PRO 12 10.355 4.235 -13.532 81 H CYS 13 H CYS 13 14.127 5.045 -12.185 82 HA CYS 13 HA CYS 13 15.841 7.436 -12.215 83 HB2 CYS 13 HB2 CYS 13 15.229 5.671 -9.841 84 HB3 CYS 13 HB3 CYS 13 15.982 7.263 -9.827 85 H LEU 14 H LEU 14 15.861 4.079 -12.605 86 HA LEU 14 HA LEU 14 18.231 3.215 -11.506 87 HB2 LEU 14 HB2 LEU 14 17.065 2.486 -14.188 88 HB3 LEU 14 HB3 LEU 14 18.325 1.580 -13.354 89 HG LEU 14 HG LEU 14 15.427 1.533 -13.000 90 HD11 LEU 14 HD11 LEU 14 15.918 -0.698 -12.177 91 HD12 LEU 14 HD12 LEU 14 17.641 -0.325 -12.140 92 HD13 LEU 14 HD13 LEU 14 16.786 -0.390 -13.681 93 HD21 LEU 14 HD21 LEU 14 15.881 2.779 -10.999 94 HD22 LEU 14 HD22 LEU 14 17.227 1.716 -10.588 95 HD23 LEU 14 HD23 LEU 14 15.574 1.099 -10.557 96 H GLY 15 H GLY 15 17.869 4.359 -14.874 97 HA2 GLY 15 HA2 GLY 15 20.477 4.418 -15.658 98 HA3 GLY 15 HA3 GLY 15 19.301 5.618 -16.172 99 H TYR 16 H TYR 16 18.845 6.875 -13.699 100 HA TYR 16 HA TYR 16 20.937 8.746 -13.662 101 HB2 TYR 16 HB2 TYR 16 18.546 9.111 -12.915 102 HB3 TYR 16 HB3 TYR 16 18.966 8.280 -11.421 103 HD1 TYR 16 HD1 TYR 16 20.302 11.057 -13.546 104 HD2 TYR 16 HD2 TYR 16 19.523 9.605 -9.623 105 HE1 TYR 16 HE1 TYR 16 21.123 13.176 -12.605 106 HE2 TYR 16 HE2 TYR 16 20.341 11.720 -8.672 107 HH TYR 16 HH TYR 16 21.199 14.447 -10.721 108 H LEU 17 H LEU 17 20.096 6.195 -11.326 109 HA LEU 17 HA LEU 17 22.228 6.662 -9.560 110 HB2 LEU 17 HB2 LEU 17 20.951 3.989 -10.075 111 HB3 LEU 17 HB3 LEU 17 21.713 4.555 -8.590 112 HG LEU 17 HG LEU 17 19.085 5.491 -9.738 113 HD11 LEU 17 HD11 LEU 17 19.401 3.215 -8.477 114 HD12 LEU 17 HD12 LEU 17 18.032 4.266 -8.113 115 HD13 LEU 17 HD13 LEU 17 19.441 4.254 -7.052 116 HD21 LEU 17 HD21 LEU 17 19.148 6.542 -7.277 117 HD22 LEU 17 HD22 LEU 17 19.695 7.414 -8.710 118 HD23 LEU 17 HD23 LEU 17 20.868 6.613 -7.663 119 H ARG 18 H ARG 18 21.962 4.666 -12.448 120 HA ARG 18 HA ARG 18 24.680 3.672 -12.106 121 HB2 ARG 18 HB2 ARG 18 22.531 3.098 -14.146 122 HB3 ARG 18 HB3 ARG 18 24.157 2.438 -14.254 123 HG2 ARG 18 HG2 ARG 18 23.121 0.712 -13.205 124 HG3 ARG 18 HG3 ARG 18 23.614 1.648 -11.792 125 HD2 ARG 18 HD2 ARG 18 21.340 1.032 -11.468 126 HD3 ARG 18 HD3 ARG 18 21.364 2.752 -11.857 127 HE ARG 18 HE ARG 18 20.214 2.301 -13.788 128 HH11 ARG 18 HH11 ARG 18 21.464 -0.668 -12.470 129 HH12 ARG 18 HH12 ARG 18 20.591 -1.679 -13.573 130 HH21 ARG 18 HH21 ARG 18 19.059 0.981 -15.247 131 HH22 ARG 18 HH22 ARG 18 19.224 -0.739 -15.153 132 H THR 19 H THR 19 23.513 6.490 -13.061 133 HA THR 19 HA THR 19 25.049 6.794 -15.517 134 HB THR 19 HB THR 19 23.012 8.436 -14.097 135 HG1 THR 19 HG1 THR 19 23.524 7.495 -16.710 136 HG21 THR 19 HG21 THR 19 25.327 9.537 -15.611 137 HG22 THR 19 HG22 THR 19 24.436 10.224 -14.252 138 HG23 THR 19 HG23 THR 19 23.741 10.263 -15.872 139 H ALA 20 H ALA 20 27.192 6.767 -14.995 140 HA ALA 20 HA ALA 20 28.301 8.078 -12.735 141 HB1 ALA 20 HB1 ALA 20 29.239 6.420 -14.881 142 HB2 ALA 20 HB2 ALA 20 30.327 7.790 -14.651 143 HB3 ALA 20 HB3 ALA 20 29.961 6.718 -13.299 144 H GLY 21 H GLY 21 29.621 9.950 -12.663 145 HA2 GLY 21 HA2 GLY 21 30.589 11.883 -13.739 146 HA3 GLY 21 HA3 GLY 21 29.318 11.786 -14.949 147 H SER 22 H SER 22 28.909 14.030 -14.545 148 HA SER 22 HA SER 22 27.405 14.493 -12.052 149 HB2 SER 22 HB2 SER 22 29.326 15.902 -11.977 150 HB3 SER 22 HB3 SER 22 29.126 16.382 -13.662 151 HG SER 22 HG SER 22 28.345 18.025 -12.375 152 H VAL 23 H VAL 23 25.302 14.783 -12.321 153 HA VAL 23 HA VAL 23 24.309 16.207 -14.664 154 HB VAL 23 HB VAL 23 22.512 14.467 -14.985 155 HG11 VAL 23 HG11 VAL 23 24.478 14.750 -16.481 156 HG12 VAL 23 HG12 VAL 23 25.314 13.508 -15.548 157 HG13 VAL 23 HG13 VAL 23 23.848 13.104 -16.441 158 HG21 VAL 23 HG21 VAL 23 22.693 12.329 -14.078 159 HG22 VAL 23 HG22 VAL 23 24.380 12.560 -13.619 160 HG23 VAL 23 HG23 VAL 23 23.103 13.383 -12.724 161 HA PRO 24 HA PRO 24 21.577 17.955 -11.690 162 HB2 PRO 24 HB2 PRO 24 19.611 18.825 -13.349 163 HB3 PRO 24 HB3 PRO 24 21.191 19.611 -13.236 164 HG2 PRO 24 HG2 PRO 24 20.188 17.659 -15.271 165 HG3 PRO 24 HG3 PRO 24 21.135 19.138 -15.512 166 HD2 PRO 24 HD2 PRO 24 22.255 16.673 -15.524 167 HD3 PRO 24 HD3 PRO 24 23.118 18.111 -14.942 168 H VAL 25 H VAL 25 19.765 17.447 -10.513 169 HA VAL 25 HA VAL 25 18.754 14.886 -10.524 170 HB VAL 25 HB VAL 25 17.813 17.451 -9.345 171 HG11 VAL 25 HG11 VAL 25 16.118 14.995 -9.657 172 HG12 VAL 25 HG12 VAL 25 15.896 16.106 -8.304 173 HG13 VAL 25 HG13 VAL 25 15.693 16.679 -9.960 174 HG21 VAL 25 HG21 VAL 25 19.306 16.442 -7.935 175 HG22 VAL 25 HG22 VAL 25 17.803 15.741 -7.334 176 HG23 VAL 25 HG23 VAL 25 18.836 14.813 -8.421 177 HA PRO 26 HA PRO 26 16.139 14.937 -14.127 178 HB2 PRO 26 HB2 PRO 26 15.181 12.416 -13.815 179 HB3 PRO 26 HB3 PRO 26 16.798 12.759 -14.442 180 HG2 PRO 26 HG2 PRO 26 15.968 11.970 -11.676 181 HG3 PRO 26 HG3 PRO 26 17.344 11.398 -12.637 182 HD2 PRO 26 HD2 PRO 26 17.602 13.258 -10.687 183 HD3 PRO 26 HD3 PRO 26 18.623 13.249 -12.139 184 H LEU 27 H LEU 27 14.129 15.694 -14.351 185 HA LEU 27 HA LEU 27 12.417 16.086 -12.138 186 HB2 LEU 27 HB2 LEU 27 12.226 16.509 -15.076 187 HB3 LEU 27 HB3 LEU 27 10.743 16.556 -14.126 188 HG LEU 27 HG LEU 27 11.747 18.360 -12.745 189 HD11 LEU 27 HD11 LEU 27 13.746 19.486 -13.510 190 HD12 LEU 27 HD12 LEU 27 13.919 18.335 -14.834 191 HD13 LEU 27 HD13 LEU 27 14.103 17.793 -13.166 192 HD21 LEU 27 HD21 LEU 27 11.726 20.077 -14.648 193 HD22 LEU 27 HD22 LEU 27 10.271 19.115 -14.389 194 HD23 LEU 27 HD23 LEU 27 11.377 18.707 -15.701 195 H THR 28 H THR 28 12.258 13.860 -14.901 196 HA THR 28 HA THR 28 9.838 12.656 -14.485 197 HB THR 28 HB THR 28 10.896 10.543 -15.392 198 HG1 THR 28 HG1 THR 28 13.203 12.220 -15.387 199 HG21 THR 28 HG21 THR 28 10.981 11.374 -17.563 200 HG22 THR 28 HG22 THR 28 11.710 12.898 -17.057 201 HG23 THR 28 HG23 THR 28 10.007 12.582 -16.726 202 H CYS 29 H CYS 29 12.931 11.637 -13.033 203 HA CYS 29 HA CYS 29 11.883 9.577 -11.450 204 HB2 CYS 29 HB2 CYS 29 14.287 9.844 -11.911 205 HB3 CYS 29 HB3 CYS 29 14.313 11.303 -10.925 206 H CYS 30 H CYS 30 12.363 13.014 -10.772 207 HA CYS 30 HA CYS 30 11.756 13.024 -8.058 208 HB2 CYS 30 HB2 CYS 30 11.149 15.146 -10.129 209 HB3 CYS 30 HB3 CYS 30 11.134 15.398 -8.386 210 H ASN 31 H ASN 31 9.625 13.047 -10.862 211 HA ASN 31 HA ASN 31 7.210 13.640 -9.616 212 HB2 ASN 31 HB2 ASN 31 8.005 12.202 -12.095 213 HB3 ASN 31 HB3 ASN 31 6.356 11.965 -11.525 214 HD21 ASN 31 HD21 ASN 31 6.236 13.031 -13.785 215 HD22 ASN 31 HD22 ASN 31 6.045 14.748 -13.772 216 H GLY 32 H GLY 32 8.819 10.507 -10.051 217 HA2 GLY 32 HA2 GLY 32 6.724 9.052 -8.724 218 HA3 GLY 32 HA3 GLY 32 8.288 8.417 -9.214 219 H VAL 33 H VAL 33 10.120 9.723 -7.858 220 HA VAL 33 HA VAL 33 10.048 8.659 -5.292 221 HB VAL 33 HB VAL 33 11.688 10.993 -6.288 222 HG11 VAL 33 HG11 VAL 33 11.371 10.096 -3.670 223 HG12 VAL 33 HG12 VAL 33 12.898 9.395 -4.212 224 HG13 VAL 33 HG13 VAL 33 12.650 11.140 -4.288 225 HG21 VAL 33 HG21 VAL 33 11.778 8.602 -7.372 226 HG22 VAL 33 HG22 VAL 33 13.259 9.503 -7.049 227 HG23 VAL 33 HG23 VAL 33 12.744 8.228 -5.944 228 H ARG 34 H ARG 34 9.355 11.968 -6.372 229 HA ARG 34 HA ARG 34 8.955 13.127 -3.865 230 HB2 ARG 34 HB2 ARG 34 9.149 14.437 -5.925 231 HB3 ARG 34 HB3 ARG 34 7.613 13.794 -6.491 232 HG2 ARG 34 HG2 ARG 34 6.433 14.918 -4.722 233 HG3 ARG 34 HG3 ARG 34 7.952 15.460 -4.007 234 HD2 ARG 34 HD2 ARG 34 7.209 16.169 -6.825 235 HD3 ARG 34 HD3 ARG 34 6.624 17.116 -5.458 236 HE ARG 34 HE ARG 34 9.295 17.072 -6.523 237 HH11 ARG 34 HH11 ARG 34 7.336 17.726 -3.721 238 HH12 ARG 34 HH12 ARG 34 8.484 18.811 -3.010 239 HH21 ARG 34 HH21 ARG 34 10.814 18.499 -5.598 240 HH22 ARG 34 HH22 ARG 34 10.462 19.251 -4.079 241 H GLY 35 H GLY 35 6.535 11.751 -6.098 242 HA2 GLY 35 HA2 GLY 35 4.327 12.092 -4.383 243 HA3 GLY 35 HA3 GLY 35 4.412 10.962 -5.726 244 H LEU 36 H LEU 36 6.857 9.744 -4.388 245 HA LEU 36 HA LEU 36 5.467 7.671 -3.028 246 HB2 LEU 36 HB2 LEU 36 8.335 8.311 -3.552 247 HB3 LEU 36 HB3 LEU 36 7.926 7.054 -2.386 248 HG LEU 36 HG LEU 36 6.999 7.038 -5.255 249 HD11 LEU 36 HD11 LEU 36 8.874 5.993 -5.919 250 HD12 LEU 36 HD12 LEU 36 9.070 5.141 -4.388 251 HD13 LEU 36 HD13 LEU 36 9.595 6.818 -4.538 252 HD21 LEU 36 HD21 LEU 36 7.058 4.469 -4.348 253 HD22 LEU 36 HD22 LEU 36 5.623 5.495 -4.390 254 HD23 LEU 36 HD23 LEU 36 6.561 5.350 -2.903 255 H ASN 37 H ASN 37 7.832 10.086 -1.890 256 HA ASN 37 HA ASN 37 7.698 9.442 0.824 257 HB2 ASN 37 HB2 ASN 37 9.468 10.839 0.428 258 HB3 ASN 37 HB3 ASN 37 8.583 11.802 -0.752 259 HD21 ASN 37 HD21 ASN 37 8.201 13.790 -0.136 260 HD22 ASN 37 HD22 ASN 37 7.978 14.334 1.489 261 H ASN 38 H ASN 38 5.574 11.336 -1.184 262 HA ASN 38 HA ASN 38 4.108 12.376 1.105 263 HB2 ASN 38 HB2 ASN 38 4.062 12.856 -1.843 264 HB3 ASN 38 HB3 ASN 38 2.615 13.227 -0.910 265 HD21 ASN 38 HD21 ASN 38 3.717 15.271 -2.143 266 HD22 ASN 38 HD22 ASN 38 4.572 16.300 -1.050 267 H ALA 39 H ALA 39 3.846 9.904 -1.343 268 HA ALA 39 HA ALA 39 1.086 9.327 -0.959 269 HB1 ALA 39 HB1 ALA 39 3.336 7.746 -2.180 270 HB2 ALA 39 HB2 ALA 39 1.668 7.175 -2.129 271 HB3 ALA 39 HB3 ALA 39 2.068 8.651 -3.008 272 H ALA 40 H ALA 40 4.071 8.122 0.468 273 HA ALA 40 HA ALA 40 2.833 5.989 1.911 274 HB1 ALA 40 HB1 ALA 40 5.382 7.097 2.909 275 HB2 ALA 40 HB2 ALA 40 4.922 5.428 2.567 276 HB3 ALA 40 HB3 ALA 40 5.379 6.505 1.247 277 H ARG 41 H ARG 41 1.156 6.746 3.157 278 HA ARG 41 HA ARG 41 1.758 8.820 5.143 279 HB2 ARG 41 HB2 ARG 41 -0.758 7.805 3.891 280 HB3 ARG 41 HB3 ARG 41 -0.841 8.519 5.497 281 HG2 ARG 41 HG2 ARG 41 0.296 10.543 4.556 282 HG3 ARG 41 HG3 ARG 41 0.096 9.825 2.956 283 HD2 ARG 41 HD2 ARG 41 -2.180 10.332 4.863 284 HD3 ARG 41 HD3 ARG 41 -1.678 11.472 3.615 285 HE ARG 41 HE ARG 41 -2.078 9.187 2.230 286 HH11 ARG 41 HH11 ARG 41 -4.021 10.968 4.504 287 HH12 ARG 41 HH12 ARG 41 -5.526 10.482 3.797 288 HH21 ARG 41 HH21 ARG 41 -4.053 8.541 1.290 289 HH22 ARG 41 HH22 ARG 41 -5.543 9.101 1.969 290 H THR 42 H THR 42 1.771 5.532 4.869 291 HA THR 42 HA THR 42 1.175 5.177 7.735 292 HB THR 42 HB THR 42 0.148 3.159 7.386 293 HG1 THR 42 HG1 THR 42 0.589 1.848 5.531 294 HG21 THR 42 HG21 THR 42 -1.440 3.354 5.635 295 HG22 THR 42 HG22 THR 42 -0.343 4.323 4.652 296 HG23 THR 42 HG23 THR 42 -1.044 5.002 6.120 297 H THR 43 H THR 43 2.650 4.119 8.976 298 HA THR 43 HA THR 43 5.329 4.043 8.176 299 HB THR 43 HB THR 43 4.083 2.494 10.455 300 HG1 THR 43 HG1 THR 43 4.080 4.333 11.548 301 HG21 THR 43 HG21 THR 43 6.905 3.512 10.110 302 HG22 THR 43 HG22 THR 43 6.402 1.842 9.845 303 HG23 THR 43 HG23 THR 43 6.281 2.555 11.453 304 H ILE 44 H ILE 44 2.904 1.474 8.374 305 HA ILE 44 HA ILE 44 4.495 -0.741 7.916 306 HB ILE 44 HB ILE 44 1.647 -0.103 7.330 307 HG12 ILE 44 HG12 ILE 44 3.231 -1.779 9.166 308 HG13 ILE 44 HG13 ILE 44 1.693 -0.965 9.427 309 HG21 ILE 44 HG21 ILE 44 3.057 -2.554 6.281 310 HG22 ILE 44 HG22 ILE 44 1.309 -2.326 6.324 311 HG23 ILE 44 HG23 ILE 44 2.310 -1.278 5.319 312 HD11 ILE 44 HD11 ILE 44 1.439 -3.361 9.604 313 HD12 ILE 44 HD12 ILE 44 0.556 -2.753 8.203 314 HD13 ILE 44 HD13 ILE 44 2.102 -3.573 7.984 315 H ASP 45 H ASP 45 2.970 1.401 5.527 316 HA ASP 45 HA ASP 45 4.047 0.005 3.280 317 HB2 ASP 45 HB2 ASP 45 2.626 2.621 3.659 318 HB3 ASP 45 HB3 ASP 45 3.374 2.238 2.111 319 H ARG 46 H ARG 46 5.272 2.340 5.456 320 HA ARG 46 HA ARG 46 7.223 3.476 3.681 321 HB2 ARG 46 HB2 ARG 46 7.732 4.889 5.390 322 HB3 ARG 46 HB3 ARG 46 6.163 4.353 5.977 323 HG2 ARG 46 HG2 ARG 46 7.258 3.909 7.871 324 HG3 ARG 46 HG3 ARG 46 7.807 2.459 7.028 325 HD2 ARG 46 HD2 ARG 46 9.760 3.841 6.204 326 HD3 ARG 46 HD3 ARG 46 9.254 5.077 7.355 327 HE ARG 46 HE ARG 46 9.452 2.876 8.897 328 HH11 ARG 46 HH11 ARG 46 11.611 4.356 6.603 329 HH12 ARG 46 HH12 ARG 46 13.047 3.822 7.412 330 HH21 ARG 46 HH21 ARG 46 11.334 2.166 9.972 331 HH22 ARG 46 HH22 ARG 46 12.888 2.576 9.328 332 H ARG 47 H ARG 47 7.093 0.812 5.939 333 HA ARG 47 HA ARG 47 9.956 0.366 5.828 334 HB2 ARG 47 HB2 ARG 47 9.350 -1.685 7.199 335 HB3 ARG 47 HB3 ARG 47 8.994 -0.126 7.931 336 HG2 ARG 47 HG2 ARG 47 6.659 -0.345 7.352 337 HG3 ARG 47 HG3 ARG 47 6.986 -1.857 6.504 338 HD2 ARG 47 HD2 ARG 47 7.790 -1.607 9.361 339 HD3 ARG 47 HD3 ARG 47 6.086 -1.844 8.978 340 HE ARG 47 HE ARG 47 8.153 -3.797 8.846 341 HH11 ARG 47 HH11 ARG 47 5.170 -2.787 7.364 342 HH12 ARG 47 HH12 ARG 47 4.763 -4.372 6.795 343 HH21 ARG 47 HH21 ARG 47 7.629 -5.889 8.103 344 HH22 ARG 47 HH22 ARG 47 6.163 -6.136 7.217 345 H THR 48 H THR 48 6.998 -1.244 4.712 346 HA THR 48 HA THR 48 8.206 -3.469 3.516 347 HB THR 48 HB THR 48 5.602 -2.057 2.988 348 HG1 THR 48 HG1 THR 48 6.178 -4.676 3.954 349 HG21 THR 48 HG21 THR 48 5.893 -2.905 0.866 350 HG22 THR 48 HG22 THR 48 5.147 -4.285 1.671 351 HG23 THR 48 HG23 THR 48 6.892 -4.246 1.423 352 H ALA 49 H ALA 49 7.610 -0.219 2.301 353 HA ALA 49 HA ALA 49 8.399 -0.817 -0.388 354 HB1 ALA 49 HB1 ALA 49 7.743 1.674 1.119 355 HB2 ALA 49 HB2 ALA 49 8.539 1.786 -0.451 356 HB3 ALA 49 HB3 ALA 49 6.973 0.989 -0.312 357 H CYS 50 H CYS 50 9.919 1.021 2.265 358 HA CYS 50 HA CYS 50 12.337 1.552 0.970 359 HB2 CYS 50 HB2 CYS 50 11.329 2.371 3.279 360 HB3 CYS 50 HB3 CYS 50 12.320 1.063 3.916 361 H ASN 51 H ASN 51 11.193 -1.304 2.607 362 HA ASN 51 HA ASN 51 13.696 -2.578 2.961 363 HB2 ASN 51 HB2 ASN 51 10.850 -3.541 2.889 364 HB3 ASN 51 HB3 ASN 51 12.181 -4.690 2.983 365 HD21 ASN 51 HD21 ASN 51 10.704 -4.980 5.006 366 HD22 ASN 51 HD22 ASN 51 11.268 -4.173 6.425 367 H CYS 52 H CYS 52 11.146 -3.125 0.525 368 HA CYS 52 HA CYS 52 12.504 -4.952 -1.054 369 HB2 CYS 52 HB2 CYS 52 10.053 -3.993 -1.179 370 HB3 CYS 52 HB3 CYS 52 10.766 -2.892 -2.354 371 H LEU 53 H LEU 53 12.803 -1.474 -0.902 372 HA LEU 53 HA LEU 53 14.450 -1.330 -3.277 373 HB2 LEU 53 HB2 LEU 53 13.414 0.629 -1.280 374 HB3 LEU 53 HB3 LEU 53 14.776 1.080 -2.303 375 HG LEU 53 HG LEU 53 12.145 0.125 -3.412 376 HD11 LEU 53 HD11 LEU 53 11.835 2.615 -3.896 377 HD12 LEU 53 HD12 LEU 53 13.028 2.881 -2.625 378 HD13 LEU 53 HD13 LEU 53 11.515 2.054 -2.255 379 HD21 LEU 53 HD21 LEU 53 14.707 0.794 -4.522 380 HD22 LEU 53 HD22 LEU 53 13.475 1.904 -5.124 381 HD23 LEU 53 HD23 LEU 53 13.269 0.163 -5.326 382 H LYS 54 H LYS 54 14.866 -1.334 0.209 383 HA LYS 54 HA LYS 54 17.556 -0.546 0.319 384 HB2 LYS 54 HB2 LYS 54 16.302 -0.575 2.342 385 HB3 LYS 54 HB3 LYS 54 15.878 -2.269 2.138 386 HG2 LYS 54 HG2 LYS 54 18.755 -1.575 2.352 387 HG3 LYS 54 HG3 LYS 54 17.765 -1.487 3.811 388 HD2 LYS 54 HD2 LYS 54 17.290 -3.758 3.778 389 HD3 LYS 54 HD3 LYS 54 17.649 -3.910 2.057 390 HE2 LYS 54 HE2 LYS 54 20.054 -3.372 2.664 391 HE3 LYS 54 HE3 LYS 54 19.580 -3.611 4.345 392 HZ1 LYS 54 HZ1 LYS 54 19.210 -5.653 2.224 393 HZ2 LYS 54 HZ2 LYS 54 19.003 -5.859 3.890 394 HZ3 LYS 54 HZ3 LYS 54 20.550 -5.603 3.255 395 H GLN 55 H GLN 55 16.055 -3.653 -0.313 396 HA GLN 55 HA GLN 55 18.490 -5.152 -0.132 397 HB2 GLN 55 HB2 GLN 55 16.059 -5.993 0.133 398 HB3 GLN 55 HB3 GLN 55 16.040 -6.049 -1.624 399 HG2 GLN 55 HG2 GLN 55 18.141 -7.442 0.003 400 HG3 GLN 55 HG3 GLN 55 16.601 -8.196 -0.405 401 HE21 GLN 55 HE21 GLN 55 16.279 -8.979 -2.422 402 HE22 GLN 55 HE22 GLN 55 17.480 -8.976 -3.664 403 H THR 56 H THR 56 16.421 -4.171 -2.864 404 HA THR 56 HA THR 56 18.119 -5.101 -4.893 405 HB THR 56 HB THR 56 16.199 -2.771 -5.069 406 HG1 THR 56 HG1 THR 56 14.643 -4.281 -5.506 407 HG21 THR 56 HG21 THR 56 17.962 -3.338 -6.933 408 HG22 THR 56 HG22 THR 56 16.295 -2.956 -7.363 409 HG23 THR 56 HG23 THR 56 16.830 -4.635 -7.313 410 H ALA 57 H ALA 57 17.936 -1.978 -3.252 411 HA ALA 57 HA ALA 57 19.615 -0.463 -4.834 412 HB1 ALA 57 HB1 ALA 57 20.175 0.767 -2.710 413 HB2 ALA 57 HB2 ALA 57 18.454 0.592 -3.057 414 HB3 ALA 57 HB3 ALA 57 19.220 -0.442 -1.851 415 H ASN 58 H ASN 58 20.517 -2.576 -2.116 416 HA ASN 58 HA ASN 58 23.307 -2.121 -2.376 417 HB2 ASN 58 HB2 ASN 58 21.612 -4.102 -0.901 418 HB3 ASN 58 HB3 ASN 58 23.348 -4.373 -1.022 419 HD21 ASN 58 HD21 ASN 58 24.683 -2.385 -0.468 420 HD22 ASN 58 HD22 ASN 58 24.188 -1.505 0.935 421 H ALA 59 H ALA 59 21.067 -4.224 -3.957 422 HA ALA 59 HA ALA 59 22.928 -6.170 -4.873 423 HB1 ALA 59 HB1 ALA 59 21.168 -6.928 -6.327 424 HB2 ALA 59 HB2 ALA 59 20.481 -6.538 -4.750 425 HB3 ALA 59 HB3 ALA 59 20.279 -5.422 -6.101 426 H ILE 60 H ILE 60 21.770 -3.099 -6.132 427 HA ILE 60 HA ILE 60 22.885 -3.373 -8.729 428 HB ILE 60 HB ILE 60 22.155 -0.875 -7.197 429 HG12 ILE 60 HG12 ILE 60 20.653 -2.532 -9.232 430 HG13 ILE 60 HG13 ILE 60 20.229 -2.296 -7.541 431 HG21 ILE 60 HG21 ILE 60 23.300 0.165 -8.814 432 HG22 ILE 60 HG22 ILE 60 23.387 -1.286 -9.813 433 HG23 ILE 60 HG23 ILE 60 21.945 -0.271 -9.855 434 HD11 ILE 60 HD11 ILE 60 19.560 -0.708 -9.837 435 HD12 ILE 60 HD12 ILE 60 18.927 -0.633 -8.192 436 HD13 ILE 60 HD13 ILE 60 20.382 0.267 -8.619 437 H ALA 61 H ALA 61 25.018 -3.882 -8.782 438 HA ALA 61 HA ALA 61 26.995 -2.847 -7.065 439 HB1 ALA 61 HB1 ALA 61 28.362 -3.535 -9.344 440 HB2 ALA 61 HB2 ALA 61 27.946 -4.627 -8.023 441 HB3 ALA 61 HB3 ALA 61 26.907 -4.527 -9.445 442 H ASP 62 H ASP 62 25.255 -1.302 -9.445 443 HA ASP 62 HA ASP 62 27.386 0.693 -9.854 444 HB2 ASP 62 HB2 ASP 62 25.038 0.086 -11.664 445 HB3 ASP 62 HB3 ASP 62 26.283 1.297 -11.958 446 H LEU 63 H LEU 63 25.448 0.481 -7.641 447 HA LEU 63 HA LEU 63 23.541 2.606 -8.071 448 HB2 LEU 63 HB2 LEU 63 22.734 0.953 -6.651 449 HB3 LEU 63 HB3 LEU 63 24.258 0.830 -5.774 450 HG LEU 63 HG LEU 63 23.641 3.273 -5.012 451 HD11 LEU 63 HD11 LEU 63 21.023 2.104 -5.900 452 HD12 LEU 63 HD12 LEU 63 21.703 3.689 -6.266 453 HD13 LEU 63 HD13 LEU 63 21.126 3.332 -4.638 454 HD21 LEU 63 HD21 LEU 63 23.179 2.355 -3.001 455 HD22 LEU 63 HD22 LEU 63 23.668 0.869 -3.816 456 HD23 LEU 63 HD23 LEU 63 21.956 1.265 -3.656 457 H ASN 64 H ASN 64 24.332 4.611 -8.223 458 HA ASN 64 HA ASN 64 26.675 5.446 -6.776 459 HB2 ASN 64 HB2 ASN 64 25.731 6.227 -9.127 460 HB3 ASN 64 HB3 ASN 64 24.878 7.407 -8.135 461 HD21 ASN 64 HD21 ASN 64 26.539 8.433 -9.883 462 HD22 ASN 64 HD22 ASN 64 27.998 8.992 -9.145 463 H LEU 65 H LEU 65 26.319 5.485 -4.605 464 HA LEU 65 HA LEU 65 24.017 6.223 -3.262 465 HB2 LEU 65 HB2 LEU 65 26.833 6.719 -2.315 466 HB3 LEU 65 HB3 LEU 65 25.395 6.542 -1.312 467 HG LEU 65 HG LEU 65 26.996 4.452 -2.722 468 HD11 LEU 65 HD11 LEU 65 26.479 3.304 -0.507 469 HD12 LEU 65 HD12 LEU 65 25.877 4.871 0.031 470 HD13 LEU 65 HD13 LEU 65 27.561 4.696 -0.462 471 HD21 LEU 65 HD21 LEU 65 24.062 4.326 -2.084 472 HD22 LEU 65 HD22 LEU 65 25.069 2.882 -2.195 473 HD23 LEU 65 HD23 LEU 65 24.875 3.933 -3.599 474 H ASN 66 H ASN 66 26.107 8.183 -5.071 475 HA ASN 66 HA ASN 66 25.542 10.636 -3.646 476 HB2 ASN 66 HB2 ASN 66 26.969 10.081 -6.253 477 HB3 ASN 66 HB3 ASN 66 26.773 11.692 -5.569 478 HD21 ASN 66 HD21 ASN 66 29.118 9.842 -6.091 479 HD22 ASN 66 HD22 ASN 66 29.994 9.854 -4.602 480 H ALA 67 H ALA 67 24.730 9.253 -6.822 481 HA ALA 67 HA ALA 67 22.879 11.372 -7.426 482 HB1 ALA 67 HB1 ALA 67 24.013 9.069 -8.819 483 HB2 ALA 67 HB2 ALA 67 22.324 9.383 -9.221 484 HB3 ALA 67 HB3 ALA 67 23.533 10.649 -9.439 485 H ALA 68 H ALA 68 22.740 8.295 -5.868 486 HA ALA 68 HA ALA 68 19.865 8.034 -6.165 487 HB1 ALA 68 HB1 ALA 68 21.035 6.274 -4.197 488 HB2 ALA 68 HB2 ALA 68 20.215 5.886 -5.710 489 HB3 ALA 68 HB3 ALA 68 21.943 6.241 -5.710 490 H ALA 69 H ALA 69 22.179 9.161 -3.812 491 HA ALA 69 HA ALA 69 20.215 9.314 -1.685 492 HB1 ALA 69 HB1 ALA 69 22.012 10.166 -0.320 493 HB2 ALA 69 HB2 ALA 69 22.575 8.753 -1.213 494 HB3 ALA 69 HB3 ALA 69 23.038 10.371 -1.740 495 H GLY 70 H GLY 70 21.788 11.454 -3.986 496 HA2 GLY 70 HA2 GLY 70 20.712 13.848 -2.776 497 HA3 GLY 70 HA3 GLY 70 21.611 13.751 -4.283 498 H LEU 71 H LEU 71 19.964 11.825 -5.574 499 HA LEU 71 HA LEU 71 18.160 13.398 -6.914 500 HB2 LEU 71 HB2 LEU 71 18.496 11.450 -8.022 501 HB3 LEU 71 HB3 LEU 71 18.518 10.489 -6.545 502 HG LEU 71 HG LEU 71 15.951 10.961 -6.532 503 HD11 LEU 71 HD11 LEU 71 16.405 12.518 -8.607 504 HD12 LEU 71 HD12 LEU 71 14.928 11.563 -8.482 505 HD13 LEU 71 HD13 LEU 71 16.260 10.998 -9.489 506 HD21 LEU 71 HD21 LEU 71 16.703 9.091 -8.705 507 HD22 LEU 71 HD22 LEU 71 15.664 8.843 -7.302 508 HD23 LEU 71 HD23 LEU 71 17.419 8.820 -7.116 509 HA PRO 72 HA PRO 72 14.520 11.853 -4.161 510 HB2 PRO 72 HB2 PRO 72 15.125 10.331 -1.997 511 HB3 PRO 72 HB3 PRO 72 14.813 9.646 -3.596 512 HG2 PRO 72 HG2 PRO 72 17.429 10.202 -2.250 513 HG3 PRO 72 HG3 PRO 72 16.935 8.783 -3.192 514 HD2 PRO 72 HD2 PRO 72 18.469 10.758 -4.230 515 HD3 PRO 72 HD3 PRO 72 17.311 9.833 -5.209 516 H ALA 73 H ALA 73 17.485 12.268 -2.234 517 HA ALA 73 HA ALA 73 16.430 13.517 -0.011 518 HB1 ALA 73 HB1 ALA 73 18.716 12.875 -0.004 519 HB2 ALA 73 HB2 ALA 73 19.082 13.921 -1.377 520 HB3 ALA 73 HB3 ALA 73 18.675 14.629 0.187 521 H LYS 74 H LYS 74 16.578 14.680 -3.218 522 HA LYS 74 HA LYS 74 15.843 17.380 -2.292 523 HB2 LYS 74 HB2 LYS 74 17.443 16.525 -4.698 524 HB3 LYS 74 HB3 LYS 74 16.688 18.110 -4.597 525 HG2 LYS 74 HG2 LYS 74 17.986 18.639 -2.623 526 HG3 LYS 74 HG3 LYS 74 18.695 17.022 -2.632 527 HD2 LYS 74 HD2 LYS 74 18.958 18.943 -4.937 528 HD3 LYS 74 HD3 LYS 74 20.122 18.867 -3.612 529 HE2 LYS 74 HE2 LYS 74 19.865 16.234 -4.343 530 HE3 LYS 74 HE3 LYS 74 19.740 17.075 -5.887 531 HZ1 LYS 74 HZ1 LYS 74 21.818 18.256 -5.292 532 HZ2 LYS 74 HZ2 LYS 74 22.021 16.587 -5.474 533 HZ3 LYS 74 HZ3 LYS 74 21.959 17.267 -3.926 534 H CYS 75 H CYS 75 15.589 15.389 -5.246 535 HA CYS 75 HA CYS 75 13.629 16.326 -6.664 536 HB2 CYS 75 HB2 CYS 75 14.062 13.547 -5.708 537 HB3 CYS 75 HB3 CYS 75 12.533 13.880 -6.514 538 H GLY 76 H GLY 76 13.016 14.904 -3.477 539 HA2 GLY 76 HA2 GLY 76 10.817 16.643 -2.988 540 HA3 GLY 76 HA3 GLY 76 10.252 15.033 -3.409 541 H VAL 77 H VAL 77 12.756 13.903 -2.144 542 HA VAL 77 HA VAL 77 11.632 13.593 0.491 543 HB VAL 77 HB VAL 77 14.229 12.483 -0.581 544 HG11 VAL 77 HG11 VAL 77 14.441 12.051 1.632 545 HG12 VAL 77 HG12 VAL 77 12.705 12.150 1.931 546 HG13 VAL 77 HG13 VAL 77 13.397 10.691 1.222 547 HG21 VAL 77 HG21 VAL 77 13.020 10.482 -1.147 548 HG22 VAL 77 HG22 VAL 77 11.522 11.155 -0.504 549 HG23 VAL 77 HG23 VAL 77 12.253 11.853 -1.949 550 H ASN 78 H ASN 78 12.815 16.212 -0.393 551 HA ASN 78 HA ASN 78 15.034 17.221 0.350 552 HB2 ASN 78 HB2 ASN 78 13.951 18.945 1.816 553 HB3 ASN 78 HB3 ASN 78 13.128 18.684 0.282 554 HD21 ASN 78 HD21 ASN 78 12.605 19.214 3.424 555 HD22 ASN 78 HD22 ASN 78 11.080 18.427 3.626 556 H ILE 79 H ILE 79 12.932 15.918 2.914 557 HA ILE 79 HA ILE 79 14.133 16.209 5.205 558 HB ILE 79 HB ILE 79 13.588 13.425 4.169 559 HG12 ILE 79 HG12 ILE 79 11.564 14.619 5.879 560 HG13 ILE 79 HG13 ILE 79 11.819 15.567 4.418 561 HG21 ILE 79 HG21 ILE 79 13.440 14.382 7.014 562 HG22 ILE 79 HG22 ILE 79 13.427 12.725 6.413 563 HG23 ILE 79 HG23 ILE 79 14.904 13.683 6.322 564 HD11 ILE 79 HD11 ILE 79 11.166 12.632 4.515 565 HD12 ILE 79 HD12 ILE 79 10.041 13.935 4.130 566 HD13 ILE 79 HD13 ILE 79 11.399 13.595 3.057 567 HA PRO 80 HA PRO 80 18.453 15.374 4.871 568 HB2 PRO 80 HB2 PRO 80 19.017 15.214 7.522 569 HB3 PRO 80 HB3 PRO 80 18.696 16.745 6.699 570 HG2 PRO 80 HG2 PRO 80 16.858 15.068 8.364 571 HG3 PRO 80 HG3 PRO 80 17.070 16.828 8.360 572 HD2 PRO 80 HD2 PRO 80 15.015 15.605 7.090 573 HD3 PRO 80 HD3 PRO 80 15.746 17.109 6.494 574 H TYR 81 H TYR 81 18.026 13.238 3.920 575 HA TYR 81 HA TYR 81 19.009 11.139 5.663 576 HB2 TYR 81 HB2 TYR 81 16.239 11.206 4.582 577 HB3 TYR 81 HB3 TYR 81 17.081 9.661 4.544 578 HD1 TYR 81 HD2 TYR 81 18.582 9.581 6.995 579 HD2 TYR 81 HD1 TYR 81 14.696 11.167 6.301 580 HE1 TYR 81 HE2 TYR 81 18.015 9.209 9.359 581 HE2 TYR 81 HE1 TYR 81 14.118 10.801 8.663 582 HH TYR 81 HH TYR 81 15.099 10.457 10.766 583 H LYS 82 H LYS 82 20.580 10.161 4.593 584 HA LYS 82 HA LYS 82 20.683 10.341 1.686 585 HB2 LYS 82 HB2 LYS 82 22.963 9.909 1.842 586 HB3 LYS 82 HB3 LYS 82 22.644 10.808 3.320 587 HG2 LYS 82 HG2 LYS 82 22.569 8.733 4.586 588 HG3 LYS 82 HG3 LYS 82 22.844 7.810 3.107 589 HD2 LYS 82 HD2 LYS 82 24.731 9.781 4.393 590 HD3 LYS 82 HD3 LYS 82 24.925 8.028 4.307 591 HE2 LYS 82 HE2 LYS 82 24.840 8.330 1.768 592 HE3 LYS 82 HE3 LYS 82 25.086 10.046 2.088 593 HZ1 LYS 82 HZ1 LYS 82 26.902 7.817 2.822 594 HZ2 LYS 82 HZ2 LYS 82 27.113 9.414 3.337 595 HZ3 LYS 82 HZ3 LYS 82 27.193 9.039 1.689 596 H ILE 83 H ILE 83 21.789 8.266 0.676 597 HA ILE 83 HA ILE 83 19.910 6.102 1.158 598 HB ILE 83 HB ILE 83 20.793 7.063 -1.155 599 HG12 ILE 83 HG12 ILE 83 20.464 4.552 -1.991 600 HG13 ILE 83 HG13 ILE 83 19.922 4.334 -0.331 601 HG21 ILE 83 HG21 ILE 83 22.741 4.849 -0.528 602 HG22 ILE 83 HG22 ILE 83 22.525 5.605 -2.106 603 HG23 ILE 83 HG23 ILE 83 23.132 6.554 -0.749 604 HD11 ILE 83 HD11 ILE 83 18.594 6.603 -1.137 605 HD12 ILE 83 HD12 ILE 83 18.586 5.583 -2.576 606 HD13 ILE 83 HD13 ILE 83 17.927 4.972 -1.058 607 H SER 84 H SER 84 23.356 6.751 1.413 608 HA SER 84 HA SER 84 25.087 5.572 2.309 609 HB2 SER 84 HB2 SER 84 22.779 5.153 4.052 610 HB3 SER 84 HB3 SER 84 23.971 3.859 4.176 611 HG SER 84 HG SER 84 25.501 5.795 4.288 612 HA PRO 85 HA PRO 85 25.597 1.627 0.461 613 HB2 PRO 85 HB2 PRO 85 27.104 0.253 2.252 614 HB3 PRO 85 HB3 PRO 85 27.742 1.585 1.281 615 HG2 PRO 85 HG2 PRO 85 26.796 1.594 4.121 616 HG3 PRO 85 HG3 PRO 85 28.226 2.371 3.416 617 HD2 PRO 85 HD2 PRO 85 25.948 3.731 3.960 618 HD3 PRO 85 HD3 PRO 85 27.012 4.153 2.603 619 H SER 86 H SER 86 25.830 0.143 3.584 620 HA SER 86 HA SER 86 23.403 -1.399 3.002 621 HB2 SER 86 HB2 SER 86 24.330 -3.184 4.162 622 HB3 SER 86 HB3 SER 86 25.770 -2.430 3.479 623 HG SER 86 HG SER 86 24.774 -2.229 6.122 624 H THR 87 H THR 87 22.962 1.152 3.959 625 HA THR 87 HA THR 87 22.643 1.180 6.802 626 HB THR 87 HB THR 87 22.920 3.302 5.769 627 HG1 THR 87 HG1 THR 87 21.250 4.326 6.723 628 HG21 THR 87 HG21 THR 87 22.296 3.005 3.532 629 HG22 THR 87 HG22 THR 87 21.082 4.119 4.161 630 HG23 THR 87 HG23 THR 87 20.692 2.411 3.962 631 H ASP 88 H ASP 88 20.353 1.836 7.648 632 HA ASP 88 HA ASP 88 18.306 0.120 6.423 633 HB2 ASP 88 HB2 ASP 88 19.589 -0.830 8.521 634 HB3 ASP 88 HB3 ASP 88 18.513 0.249 9.405 635 H CYS 89 H CYS 89 16.399 1.092 6.195 636 HA CYS 89 HA CYS 89 16.026 3.802 6.861 637 HB2 CYS 89 HB2 CYS 89 13.695 1.996 6.340 638 HB3 CYS 89 HB3 CYS 89 13.976 3.642 5.782 639 H ASN 90 H ASN 90 15.916 1.119 8.821 640 HA ASN 90 HA ASN 90 13.781 1.265 10.475 641 HB2 ASN 90 HB2 ASN 90 15.990 -0.132 10.641 642 HB3 ASN 90 HB3 ASN 90 16.502 1.153 11.731 643 HD21 ASN 90 HD21 ASN 90 15.774 1.169 13.771 644 HD22 ASN 90 HD22 ASN 90 14.645 0.033 14.420 645 H ARG 91 H ARG 91 16.166 3.705 10.020 646 HA ARG 91 HA ARG 91 15.631 5.120 12.466 647 HB2 ARG 91 HB2 ARG 91 17.269 5.626 10.019 648 HB3 ARG 91 HB3 ARG 91 16.871 6.983 11.065 649 HG2 ARG 91 HG2 ARG 91 17.825 5.635 12.972 650 HG3 ARG 91 HG3 ARG 91 18.438 4.516 11.753 651 HD2 ARG 91 HD2 ARG 91 19.384 6.736 10.690 652 HD3 ARG 91 HD3 ARG 91 19.250 7.317 12.349 653 HE ARG 91 HE ARG 91 20.557 4.945 12.589 654 HH11 ARG 91 HH11 ARG 91 21.084 7.837 10.724 655 HH12 ARG 91 HH12 ARG 91 22.808 7.670 10.710 656 HH21 ARG 91 HH21 ARG 91 22.826 4.714 12.577 657 HH22 ARG 91 HH22 ARG 91 23.798 5.892 11.763 658 H VAL 92 H VAL 92 14.645 5.390 9.086 659 HA VAL 92 HA VAL 92 13.059 7.756 9.589 660 HB VAL 92 HB VAL 92 13.150 6.025 7.114 661 HG11 VAL 92 HG11 VAL 92 11.656 8.424 7.864 662 HG12 VAL 92 HG12 VAL 92 12.520 8.568 6.332 663 HG13 VAL 92 HG13 VAL 92 11.361 7.260 6.573 664 HG21 VAL 92 HG21 VAL 92 15.104 6.940 6.587 665 HG22 VAL 92 HG22 VAL 92 14.462 8.562 6.847 666 HG23 VAL 92 HG23 VAL 92 15.160 7.663 8.195 667 H VAL 93 H VAL 93 12.251 5.727 11.269 668 HA VAL 93 HA VAL 93 9.802 4.629 10.093 669 HB VAL 93 HB VAL 93 11.476 3.258 11.527 670 HG11 VAL 93 HG11 VAL 93 9.835 4.336 13.794 671 HG12 VAL 93 HG12 VAL 93 11.311 3.370 13.854 672 HG13 VAL 93 HG13 VAL 93 11.381 5.059 13.351 673 HG21 VAL 93 HG21 VAL 93 9.105 2.671 10.746 674 HG22 VAL 93 HG22 VAL 93 9.774 1.762 12.101 675 HG23 VAL 93 HG23 VAL 93 8.611 3.055 12.395 Start of MODEL 9 1 H1 LEU 1 H LEU 1 2.071 0.854 0.685 2 HA LEU 1 HA LEU 1 1.948 0.189 -2.015 3 HB2 LEU 1 HB2 LEU 1 3.225 2.075 -0.665 4 HB3 LEU 1 HB3 LEU 1 4.569 0.948 -0.834 5 HG LEU 1 HG LEU 1 4.189 1.020 -3.317 6 HD11 LEU 1 HD11 LEU 1 2.167 3.030 -2.434 7 HD12 LEU 1 HD12 LEU 1 2.044 1.781 -3.672 8 HD13 LEU 1 HD13 LEU 1 2.994 3.235 -3.978 9 HD21 LEU 1 HD21 LEU 1 5.725 2.653 -3.475 10 HD22 LEU 1 HD22 LEU 1 5.679 2.619 -1.712 11 HD23 LEU 1 HD23 LEU 1 4.731 3.816 -2.597 12 H THR 2 H THR 2 2.863 -1.345 -3.273 13 HA THR 2 HA THR 2 4.385 -3.453 -1.893 14 HB THR 2 HB THR 2 3.553 -5.040 -3.430 15 HG1 THR 2 HG1 THR 2 2.957 -4.529 -5.412 16 HG21 THR 2 HG21 THR 2 1.284 -5.039 -2.968 17 HG22 THR 2 HG22 THR 2 1.132 -3.297 -3.202 18 HG23 THR 2 HG23 THR 2 1.898 -3.928 -1.744 19 H CYS 3 H CYS 3 6.232 -4.331 -2.850 20 HA CYS 3 HA CYS 3 8.062 -2.676 -3.989 21 HB2 CYS 3 HB2 CYS 3 7.753 -5.663 -4.289 22 HB3 CYS 3 HB3 CYS 3 9.154 -4.788 -4.898 23 H GLY 4 H GLY 4 5.380 -4.177 -5.556 24 HA2 GLY 4 HA2 GLY 4 6.236 -4.211 -8.216 25 HA3 GLY 4 HA3 GLY 4 4.568 -4.024 -7.696 26 H GLN 5 H GLN 5 4.305 -1.670 -6.619 27 HA GLN 5 HA GLN 5 4.562 0.135 -8.798 28 HB2 GLN 5 HB2 GLN 5 3.832 0.749 -5.931 29 HB3 GLN 5 HB3 GLN 5 3.519 1.770 -7.328 30 HG2 GLN 5 HG2 GLN 5 2.344 -0.964 -6.874 31 HG3 GLN 5 HG3 GLN 5 1.524 0.567 -6.572 32 HE21 GLN 5 HE21 GLN 5 0.102 0.992 -8.086 33 HE22 GLN 5 HE22 GLN 5 0.281 0.682 -9.776 34 H VAL 6 H VAL 6 6.302 -0.312 -5.772 35 HA VAL 6 HA VAL 6 7.756 1.975 -5.525 36 HB VAL 6 HB VAL 6 8.807 -0.838 -5.194 37 HG11 VAL 6 HG11 VAL 6 10.217 0.567 -3.422 38 HG12 VAL 6 HG12 VAL 6 10.766 0.308 -5.079 39 HG13 VAL 6 HG13 VAL 6 9.981 1.824 -4.636 40 HG21 VAL 6 HG21 VAL 6 7.482 1.067 -3.270 41 HG22 VAL 6 HG22 VAL 6 6.865 -0.487 -3.829 42 HG23 VAL 6 HG23 VAL 6 8.290 -0.426 -2.792 43 H THR 7 H THR 7 8.762 -0.833 -7.482 44 HA THR 7 HA THR 7 10.993 0.479 -8.636 45 HB THR 7 HB THR 7 9.681 -1.742 -10.121 46 HG1 THR 7 HG1 THR 7 9.796 -3.109 -8.504 47 HG21 THR 7 HG21 THR 7 12.036 -2.548 -10.189 48 HG22 THR 7 HG22 THR 7 12.510 -1.119 -9.269 49 HG23 THR 7 HG23 THR 7 11.823 -0.942 -10.884 50 H GLY 8 H GLY 8 7.678 -0.094 -9.764 51 HA2 GLY 8 HA2 GLY 8 7.971 0.925 -12.358 52 HA3 GLY 8 HA3 GLY 8 6.464 0.871 -11.455 53 H ALA 9 H ALA 9 7.655 2.561 -9.303 54 HA ALA 9 HA ALA 9 7.061 5.115 -10.553 55 HB1 ALA 9 HB1 ALA 9 7.247 4.128 -7.747 56 HB2 ALA 9 HB2 ALA 9 7.400 5.857 -8.062 57 HB3 ALA 9 HB3 ALA 9 5.941 4.996 -8.553 58 H LEU 10 H LEU 10 9.799 3.329 -9.461 59 HA LEU 10 HA LEU 10 11.498 5.723 -9.631 60 HB2 LEU 10 HB2 LEU 10 11.679 3.164 -8.145 61 HB3 LEU 10 HB3 LEU 10 13.188 3.889 -8.696 62 HG LEU 10 HG LEU 10 11.199 5.438 -7.063 63 HD11 LEU 10 HD11 LEU 10 11.563 3.948 -5.423 64 HD12 LEU 10 HD12 LEU 10 13.121 4.761 -5.281 65 HD13 LEU 10 HD13 LEU 10 12.987 3.270 -6.212 66 HD21 LEU 10 HD21 LEU 10 12.745 6.912 -7.940 67 HD22 LEU 10 HD22 LEU 10 14.061 5.738 -7.873 68 HD23 LEU 10 HD23 LEU 10 13.476 6.494 -6.390 69 H ALA 11 H ALA 11 10.363 3.617 -11.697 70 HA ALA 11 HA ALA 11 12.444 2.254 -12.902 71 HB1 ALA 11 HB1 ALA 11 10.864 3.172 -15.012 72 HB2 ALA 11 HB2 ALA 11 10.697 1.651 -14.134 73 HB3 ALA 11 HB3 ALA 11 9.779 3.068 -13.625 74 HA PRO 12 HA PRO 12 13.367 6.102 -15.670 75 HB2 PRO 12 HB2 PRO 12 12.164 8.442 -15.003 76 HB3 PRO 12 HB3 PRO 12 11.438 7.269 -16.109 77 HG2 PRO 12 HG2 PRO 12 10.893 7.719 -13.200 78 HG3 PRO 12 HG3 PRO 12 9.746 7.431 -14.522 79 HD2 PRO 12 HD2 PRO 12 10.506 5.483 -12.801 80 HD3 PRO 12 HD3 PRO 12 10.097 5.153 -14.497 81 H CYS 13 H CYS 13 13.536 5.732 -12.414 82 HA CYS 13 HA CYS 13 15.340 8.015 -12.004 83 HB2 CYS 13 HB2 CYS 13 14.043 6.157 -10.000 84 HB3 CYS 13 HB3 CYS 13 15.133 7.477 -9.590 85 H LEU 14 H LEU 14 15.184 4.535 -12.095 86 HA LEU 14 HA LEU 14 17.471 3.750 -10.810 87 HB2 LEU 14 HB2 LEU 14 16.136 2.751 -13.297 88 HB3 LEU 14 HB3 LEU 14 17.619 2.000 -12.710 89 HG LEU 14 HG LEU 14 14.912 2.063 -11.403 90 HD11 LEU 14 HD11 LEU 14 15.400 0.299 -13.059 91 HD12 LEU 14 HD12 LEU 14 15.141 -0.337 -11.435 92 HD13 LEU 14 HD13 LEU 14 16.777 -0.207 -12.080 93 HD21 LEU 14 HD21 LEU 14 17.605 1.689 -10.183 94 HD22 LEU 14 HD22 LEU 14 16.261 0.702 -9.607 95 HD23 LEU 14 HD23 LEU 14 16.162 2.461 -9.523 96 H GLY 15 H GLY 15 17.260 4.670 -14.255 97 HA2 GLY 15 HA2 GLY 15 19.864 4.453 -15.021 98 HA3 GLY 15 HA3 GLY 15 18.809 5.737 -15.591 99 H TYR 16 H TYR 16 18.459 7.247 -13.330 100 HA TYR 16 HA TYR 16 20.779 8.817 -13.295 101 HB2 TYR 16 HB2 TYR 16 18.543 9.700 -12.774 102 HB3 TYR 16 HB3 TYR 16 18.514 8.758 -11.288 103 HD1 TYR 16 HD1 TYR 16 20.484 11.407 -13.021 104 HD2 TYR 16 HD2 TYR 16 19.284 9.708 -9.310 105 HE1 TYR 16 HE1 TYR 16 21.555 13.272 -11.828 106 HE2 TYR 16 HE2 TYR 16 20.352 11.568 -8.106 107 HH TYR 16 HH TYR 16 20.961 14.248 -9.030 108 H LEU 17 H LEU 17 19.649 6.279 -11.141 109 HA LEU 17 HA LEU 17 21.576 6.708 -9.100 110 HB2 LEU 17 HB2 LEU 17 20.472 3.995 -9.583 111 HB3 LEU 17 HB3 LEU 17 20.693 4.871 -8.070 112 HG LEU 17 HG LEU 17 18.489 5.295 -10.086 113 HD11 LEU 17 HD11 LEU 17 18.339 3.251 -8.674 114 HD12 LEU 17 HD12 LEU 17 17.031 4.404 -8.411 115 HD13 LEU 17 HD13 LEU 17 18.352 4.291 -7.249 116 HD21 LEU 17 HD21 LEU 17 17.876 7.183 -9.037 117 HD22 LEU 17 HD22 LEU 17 19.558 7.229 -8.508 118 HD23 LEU 17 HD23 LEU 17 18.317 6.564 -7.446 119 H ARG 18 H ARG 18 21.468 4.634 -11.959 120 HA ARG 18 HA ARG 18 24.083 3.519 -11.367 121 HB2 ARG 18 HB2 ARG 18 22.134 3.095 -13.632 122 HB3 ARG 18 HB3 ARG 18 23.719 2.337 -13.577 123 HG2 ARG 18 HG2 ARG 18 22.596 0.659 -12.602 124 HG3 ARG 18 HG3 ARG 18 22.775 1.646 -11.150 125 HD2 ARG 18 HD2 ARG 18 20.480 0.922 -11.363 126 HD3 ARG 18 HD3 ARG 18 20.577 2.665 -11.608 127 HE ARG 18 HE ARG 18 19.935 2.374 -13.803 128 HH11 ARG 18 HH11 ARG 18 20.640 -0.708 -12.345 129 HH12 ARG 18 HH12 ARG 18 19.968 -1.627 -13.651 130 HH21 ARG 18 HH21 ARG 18 19.047 1.176 -15.528 131 HH22 ARG 18 HH22 ARG 18 19.063 -0.554 -15.462 132 H THR 19 H THR 19 23.140 6.396 -12.477 133 HA THR 19 HA THR 19 24.671 6.733 -14.845 134 HB THR 19 HB THR 19 23.642 8.772 -12.866 135 HG1 THR 19 HG1 THR 19 22.657 7.601 -15.233 136 HG21 THR 19 HG21 THR 19 24.005 10.388 -14.751 137 HG22 THR 19 HG22 THR 19 24.944 9.135 -15.562 138 HG23 THR 19 HG23 THR 19 25.485 9.778 -14.012 139 H ALA 20 H ALA 20 26.533 8.233 -15.020 140 HA ALA 20 HA ALA 20 28.791 7.383 -13.810 141 HB1 ALA 20 HB1 ALA 20 29.354 8.823 -15.453 142 HB2 ALA 20 HB2 ALA 20 28.019 9.920 -15.099 143 HB3 ALA 20 HB3 ALA 20 29.482 9.964 -14.114 144 H GLY 21 H GLY 21 26.355 9.376 -12.378 145 HA2 GLY 21 HA2 GLY 21 26.314 9.300 -9.910 146 HA3 GLY 21 HA3 GLY 21 28.040 9.629 -9.963 147 H SER 22 H SER 22 28.398 11.691 -11.546 148 HA SER 22 HA SER 22 27.055 13.843 -10.133 149 HB2 SER 22 HB2 SER 22 29.463 14.008 -10.362 150 HB3 SER 22 HB3 SER 22 29.343 13.856 -12.115 151 HG SER 22 HG SER 22 28.733 15.885 -12.264 152 H VAL 23 H VAL 23 25.309 14.814 -10.897 153 HA VAL 23 HA VAL 23 24.997 15.822 -13.472 154 HB VAL 23 HB VAL 23 22.978 14.175 -14.013 155 HG11 VAL 23 HG11 VAL 23 25.517 14.649 -15.033 156 HG12 VAL 23 HG12 VAL 23 25.411 12.892 -14.910 157 HG13 VAL 23 HG13 VAL 23 24.203 13.787 -15.832 158 HG21 VAL 23 HG21 VAL 23 23.832 12.868 -11.871 159 HG22 VAL 23 HG22 VAL 23 23.159 12.026 -13.267 160 HG23 VAL 23 HG23 VAL 23 24.908 12.129 -13.058 161 HA PRO 24 HA PRO 24 21.634 17.889 -11.556 162 HB2 PRO 24 HB2 PRO 24 19.957 18.346 -13.642 163 HB3 PRO 24 HB3 PRO 24 21.490 19.202 -13.437 164 HG2 PRO 24 HG2 PRO 24 20.849 16.857 -15.184 165 HG3 PRO 24 HG3 PRO 24 21.810 18.301 -15.556 166 HD2 PRO 24 HD2 PRO 24 22.939 15.926 -14.909 167 HD3 PRO 24 HD3 PRO 24 23.683 17.483 -14.490 168 H VAL 25 H VAL 25 20.077 17.134 -10.276 169 HA VAL 25 HA VAL 25 18.952 14.628 -10.371 170 HB VAL 25 HB VAL 25 18.173 17.166 -9.030 171 HG11 VAL 25 HG11 VAL 25 16.263 15.734 -7.973 172 HG12 VAL 25 HG12 VAL 25 15.990 16.588 -9.492 173 HG13 VAL 25 HG13 VAL 25 16.337 14.859 -9.502 174 HG21 VAL 25 HG21 VAL 25 18.372 15.731 -7.031 175 HG22 VAL 25 HG22 VAL 25 18.731 14.358 -8.077 176 HG23 VAL 25 HG23 VAL 25 19.836 15.731 -8.014 177 HA PRO 26 HA PRO 26 16.123 14.846 -13.773 178 HB2 PRO 26 HB2 PRO 26 14.844 12.501 -13.288 179 HB3 PRO 26 HB3 PRO 26 16.464 12.585 -13.989 180 HG2 PRO 26 HG2 PRO 26 15.651 12.058 -11.157 181 HG3 PRO 26 HG3 PRO 26 16.894 11.253 -12.131 182 HD2 PRO 26 HD2 PRO 26 17.486 13.155 -10.297 183 HD3 PRO 26 HD3 PRO 26 18.434 12.932 -11.782 184 H LEU 27 H LEU 27 14.429 16.179 -13.750 185 HA LEU 27 HA LEU 27 12.788 16.655 -11.515 186 HB2 LEU 27 HB2 LEU 27 13.183 18.237 -13.390 187 HB3 LEU 27 HB3 LEU 27 12.164 17.223 -14.409 188 HG LEU 27 HG LEU 27 10.337 17.668 -12.642 189 HD11 LEU 27 HD11 LEU 27 11.109 18.779 -10.857 190 HD12 LEU 27 HD12 LEU 27 10.956 20.204 -11.884 191 HD13 LEU 27 HD13 LEU 27 12.516 19.397 -11.724 192 HD21 LEU 27 HD21 LEU 27 9.545 19.481 -13.888 193 HD22 LEU 27 HD22 LEU 27 10.578 18.598 -15.013 194 HD23 LEU 27 HD23 LEU 27 11.171 20.068 -14.238 195 H THR 28 H THR 28 11.837 15.201 -14.633 196 HA THR 28 HA THR 28 9.338 14.319 -14.009 197 HB THR 28 HB THR 28 9.459 12.798 -15.784 198 HG1 THR 28 HG1 THR 28 12.286 12.689 -15.694 199 HG21 THR 28 HG21 THR 28 10.235 15.271 -16.230 200 HG22 THR 28 HG22 THR 28 10.312 14.060 -17.511 201 HG23 THR 28 HG23 THR 28 11.769 14.493 -16.617 202 H CYS 29 H CYS 29 12.387 12.909 -13.017 203 HA CYS 29 HA CYS 29 11.294 10.472 -12.023 204 HB2 CYS 29 HB2 CYS 29 13.585 10.368 -12.501 205 HB3 CYS 29 HB3 CYS 29 13.920 11.892 -11.686 206 H CYS 30 H CYS 30 12.243 13.537 -10.506 207 HA CYS 30 HA CYS 30 11.754 12.858 -7.852 208 HB2 CYS 30 HB2 CYS 30 11.271 15.566 -9.108 209 HB3 CYS 30 HB3 CYS 30 11.613 15.234 -7.413 210 H ASN 31 H ASN 31 9.544 13.695 -10.416 211 HA ASN 31 HA ASN 31 7.279 14.410 -8.993 212 HB2 ASN 31 HB2 ASN 31 7.781 13.171 -11.650 213 HB3 ASN 31 HB3 ASN 31 6.137 13.088 -11.024 214 HD21 ASN 31 HD21 ASN 31 5.538 14.426 -12.799 215 HD22 ASN 31 HD22 ASN 31 5.789 16.134 -12.728 216 H GLY 32 H GLY 32 8.353 11.152 -9.938 217 HA2 GLY 32 HA2 GLY 32 6.165 9.857 -8.609 218 HA3 GLY 32 HA3 GLY 32 7.583 9.073 -9.290 219 H VAL 33 H VAL 33 9.658 10.041 -7.917 220 HA VAL 33 HA VAL 33 9.667 8.619 -5.541 221 HB VAL 33 HB VAL 33 11.400 10.893 -6.479 222 HG11 VAL 33 HG11 VAL 33 11.571 11.116 -4.151 223 HG12 VAL 33 HG12 VAL 33 11.522 9.371 -3.893 224 HG13 VAL 33 HG13 VAL 33 12.952 10.119 -4.606 225 HG21 VAL 33 HG21 VAL 33 11.999 7.962 -6.106 226 HG22 VAL 33 HG22 VAL 33 11.521 8.696 -7.636 227 HG23 VAL 33 HG23 VAL 33 13.034 9.172 -6.865 228 H ARG 34 H ARG 34 9.067 12.071 -6.068 229 HA ARG 34 HA ARG 34 8.918 12.856 -3.387 230 HB2 ARG 34 HB2 ARG 34 9.039 14.594 -4.959 231 HB3 ARG 34 HB3 ARG 34 7.719 13.940 -5.919 232 HG2 ARG 34 HG2 ARG 34 6.098 14.760 -4.491 233 HG3 ARG 34 HG3 ARG 34 7.217 14.889 -3.132 234 HD2 ARG 34 HD2 ARG 34 6.906 17.099 -3.787 235 HD3 ARG 34 HD3 ARG 34 8.421 16.651 -4.568 236 HE ARG 34 HE ARG 34 6.472 16.107 -6.418 237 HH11 ARG 34 HH11 ARG 34 7.511 18.910 -4.633 238 HH12 ARG 34 HH12 ARG 34 7.037 20.032 -5.866 239 HH21 ARG 34 HH21 ARG 34 5.844 17.574 -8.048 240 HH22 ARG 34 HH22 ARG 34 6.088 19.271 -7.807 241 H GLY 35 H GLY 35 6.235 12.071 -5.612 242 HA2 GLY 35 HA2 GLY 35 4.178 12.218 -3.730 243 HA3 GLY 35 HA3 GLY 35 4.126 11.263 -5.204 244 H LEU 36 H LEU 36 6.557 9.753 -4.219 245 HA LEU 36 HA LEU 36 5.133 7.614 -3.002 246 HB2 LEU 36 HB2 LEU 36 7.953 8.139 -3.780 247 HB3 LEU 36 HB3 LEU 36 7.637 6.833 -2.640 248 HG LEU 36 HG LEU 36 6.465 7.048 -5.412 249 HD11 LEU 36 HD11 LEU 36 8.293 4.853 -4.740 250 HD12 LEU 36 HD12 LEU 36 9.040 6.447 -4.828 251 HD13 LEU 36 HD13 LEU 36 8.156 5.811 -6.214 252 HD21 LEU 36 HD21 LEU 36 5.785 5.453 -3.110 253 HD22 LEU 36 HD22 LEU 36 6.311 4.434 -4.450 254 HD23 LEU 36 HD23 LEU 36 4.979 5.570 -4.674 255 H ASN 37 H ASN 37 7.618 9.860 -1.809 256 HA ASN 37 HA ASN 37 7.840 8.878 0.783 257 HB2 ASN 37 HB2 ASN 37 9.462 10.442 0.394 258 HB3 ASN 37 HB3 ASN 37 8.389 11.479 -0.542 259 HD21 ASN 37 HD21 ASN 37 8.207 10.191 2.755 260 HD22 ASN 37 HD22 ASN 37 8.053 11.728 3.530 261 H ASN 38 H ASN 38 5.373 10.857 -0.676 262 HA ASN 38 HA ASN 38 4.157 11.502 1.883 263 HB2 ASN 38 HB2 ASN 38 3.532 12.209 -0.974 264 HB3 ASN 38 HB3 ASN 38 2.374 12.526 0.314 265 HD21 ASN 38 HD21 ASN 38 2.973 14.702 -0.819 266 HD22 ASN 38 HD22 ASN 38 4.176 15.628 0.006 267 H ALA 39 H ALA 39 3.513 9.486 -0.945 268 HA ALA 39 HA ALA 39 0.958 8.586 -0.193 269 HB1 ALA 39 HB1 ALA 39 2.107 8.356 -2.451 270 HB2 ALA 39 HB2 ALA 39 2.921 6.948 -1.770 271 HB3 ALA 39 HB3 ALA 39 1.162 6.975 -1.892 272 H ALA 40 H ALA 40 4.168 7.579 0.747 273 HA ALA 40 HA ALA 40 3.247 5.159 2.035 274 HB1 ALA 40 HB1 ALA 40 5.560 4.857 2.700 275 HB2 ALA 40 HB2 ALA 40 5.465 5.260 0.985 276 HB3 ALA 40 HB3 ALA 40 5.951 6.488 2.154 277 H ARG 41 H ARG 41 2.296 7.907 2.862 278 HA ARG 41 HA ARG 41 3.199 8.953 5.148 279 HB2 ARG 41 HB2 ARG 41 0.830 9.253 5.886 280 HB3 ARG 41 HB3 ARG 41 1.126 9.720 4.216 281 HG2 ARG 41 HG2 ARG 41 0.186 7.592 3.457 282 HG3 ARG 41 HG3 ARG 41 -0.121 7.137 5.134 283 HD2 ARG 41 HD2 ARG 41 -1.466 9.317 5.270 284 HD3 ARG 41 HD3 ARG 41 -1.406 9.307 3.508 285 HE ARG 41 HE ARG 41 -2.986 7.661 3.513 286 HH11 ARG 41 HH11 ARG 41 -1.505 7.801 6.660 287 HH12 ARG 41 HH12 ARG 41 -2.591 6.651 7.367 288 HH21 ARG 41 HH21 ARG 41 -4.423 6.146 4.431 289 HH22 ARG 41 HH22 ARG 41 -4.250 5.710 6.098 290 H THR 42 H THR 42 1.881 5.742 4.811 291 HA THR 42 HA THR 42 1.730 5.254 7.649 292 HB THR 42 HB THR 42 0.797 3.214 7.153 293 HG1 THR 42 HG1 THR 42 1.325 2.091 5.150 294 HG21 THR 42 HG21 THR 42 -0.453 5.053 5.989 295 HG22 THR 42 HG22 THR 42 -0.703 3.448 5.302 296 HG23 THR 42 HG23 THR 42 0.375 4.591 4.503 297 H THR 43 H THR 43 3.160 4.168 8.918 298 HA THR 43 HA THR 43 5.879 4.212 8.296 299 HB THR 43 HB THR 43 4.537 2.458 10.362 300 HG1 THR 43 HG1 THR 43 4.172 4.862 10.388 301 HG21 THR 43 HG21 THR 43 6.662 2.493 11.507 302 HG22 THR 43 HG22 THR 43 7.343 3.571 10.288 303 HG23 THR 43 HG23 THR 43 6.911 1.916 9.859 304 H ILE 44 H ILE 44 3.595 1.490 8.284 305 HA ILE 44 HA ILE 44 5.366 -0.553 7.650 306 HB ILE 44 HB ILE 44 2.451 -0.170 7.040 307 HG12 ILE 44 HG12 ILE 44 2.094 -1.706 8.781 308 HG13 ILE 44 HG13 ILE 44 3.737 -2.332 8.689 309 HG21 ILE 44 HG21 ILE 44 3.036 -1.481 5.209 310 HG22 ILE 44 HG22 ILE 44 4.262 -2.368 6.113 311 HG23 ILE 44 HG23 ILE 44 2.551 -2.667 6.420 312 HD11 ILE 44 HD11 ILE 44 3.406 -1.006 10.693 313 HD12 ILE 44 HD12 ILE 44 4.583 -0.244 9.623 314 HD13 ILE 44 HD13 ILE 44 2.937 0.382 9.713 315 H ASP 45 H ASP 45 3.389 1.385 5.402 316 HA ASP 45 HA ASP 45 4.335 0.301 3.027 317 HB2 ASP 45 HB2 ASP 45 3.292 3.050 3.694 318 HB3 ASP 45 HB3 ASP 45 3.730 2.589 2.051 319 H ARG 46 H ARG 46 5.723 2.782 5.087 320 HA ARG 46 HA ARG 46 7.704 3.687 3.287 321 HB2 ARG 46 HB2 ARG 46 7.197 3.910 6.202 322 HB3 ARG 46 HB3 ARG 46 8.848 4.193 5.665 323 HG2 ARG 46 HG2 ARG 46 6.373 5.670 4.804 324 HG3 ARG 46 HG3 ARG 46 7.715 6.289 5.769 325 HD2 ARG 46 HD2 ARG 46 7.631 5.631 2.848 326 HD3 ARG 46 HD3 ARG 46 8.133 7.127 3.635 327 HE ARG 46 HE ARG 46 9.917 5.234 4.495 328 HH11 ARG 46 HH11 ARG 46 8.884 6.466 1.407 329 HH12 ARG 46 HH12 ARG 46 10.410 6.183 0.637 330 HH21 ARG 46 HH21 ARG 46 11.931 4.856 3.492 331 HH22 ARG 46 HH22 ARG 46 12.142 5.266 1.824 332 H ARG 47 H ARG 47 7.850 1.332 5.955 333 HA ARG 47 HA ARG 47 10.552 0.612 5.510 334 HB2 ARG 47 HB2 ARG 47 9.960 -1.396 6.916 335 HB3 ARG 47 HB3 ARG 47 9.620 0.163 7.654 336 HG2 ARG 47 HG2 ARG 47 7.285 -0.057 7.213 337 HG3 ARG 47 HG3 ARG 47 7.555 -1.503 6.237 338 HD2 ARG 47 HD2 ARG 47 8.492 -1.481 9.065 339 HD3 ARG 47 HD3 ARG 47 6.769 -1.672 8.745 340 HE ARG 47 HE ARG 47 8.290 -3.456 7.153 341 HH11 ARG 47 HH11 ARG 47 7.162 -2.946 10.407 342 HH12 ARG 47 HH12 ARG 47 7.163 -4.631 10.811 343 HH21 ARG 47 HH21 ARG 47 8.296 -5.677 7.673 344 HH22 ARG 47 HH22 ARG 47 7.809 -6.184 9.255 345 H THR 48 H THR 48 7.498 -0.580 4.263 346 HA THR 48 HA THR 48 8.358 -2.998 3.158 347 HB THR 48 HB THR 48 6.225 -1.146 2.076 348 HG1 THR 48 HG1 THR 48 6.127 -3.254 3.992 349 HG21 THR 48 HG21 THR 48 7.050 -3.000 0.561 350 HG22 THR 48 HG22 THR 48 5.328 -3.026 0.939 351 HG23 THR 48 HG23 THR 48 6.428 -4.135 1.758 352 H ALA 49 H ALA 49 8.132 0.219 1.643 353 HA ALA 49 HA ALA 49 9.413 -0.687 -0.770 354 HB1 ALA 49 HB1 ALA 49 9.392 1.801 -1.305 355 HB2 ALA 49 HB2 ALA 49 7.827 1.015 -1.088 356 HB3 ALA 49 HB3 ALA 49 8.504 2.004 0.206 357 H CYS 50 H CYS 50 10.304 1.613 1.808 358 HA CYS 50 HA CYS 50 12.788 2.374 1.055 359 HB2 CYS 50 HB2 CYS 50 11.578 2.992 3.187 360 HB3 CYS 50 HB3 CYS 50 12.176 1.487 3.877 361 H ASN 51 H ASN 51 12.100 -0.593 2.908 362 HA ASN 51 HA ASN 51 14.746 -1.558 2.885 363 HB2 ASN 51 HB2 ASN 51 12.064 -2.816 3.363 364 HB3 ASN 51 HB3 ASN 51 13.503 -3.826 3.262 365 HD21 ASN 51 HD21 ASN 51 11.930 -1.250 5.022 366 HD22 ASN 51 HD22 ASN 51 12.852 -1.418 6.473 367 H CYS 52 H CYS 52 11.945 -2.709 0.993 368 HA CYS 52 HA CYS 52 13.000 -4.528 -0.648 369 HB2 CYS 52 HB2 CYS 52 10.672 -3.425 -0.733 370 HB3 CYS 52 HB3 CYS 52 11.397 -2.290 -1.867 371 H LEU 53 H LEU 53 13.097 -1.066 -1.514 372 HA LEU 53 HA LEU 53 14.970 -1.466 -3.617 373 HB2 LEU 53 HB2 LEU 53 13.872 0.934 -2.204 374 HB3 LEU 53 HB3 LEU 53 15.202 1.101 -3.348 375 HG LEU 53 HG LEU 53 12.604 -0.199 -4.115 376 HD11 LEU 53 HD11 LEU 53 12.001 1.984 -3.318 377 HD12 LEU 53 HD12 LEU 53 11.970 1.994 -5.081 378 HD13 LEU 53 HD13 LEU 53 13.323 2.725 -4.219 379 HD21 LEU 53 HD21 LEU 53 14.482 1.316 -5.884 380 HD22 LEU 53 HD22 LEU 53 13.324 0.052 -6.302 381 HD23 LEU 53 HD23 LEU 53 14.814 -0.362 -5.454 382 H LYS 54 H LYS 54 15.257 -0.115 -0.340 383 HA LYS 54 HA LYS 54 17.889 0.620 -0.296 384 HB2 LYS 54 HB2 LYS 54 16.589 1.044 1.635 385 HB3 LYS 54 HB3 LYS 54 16.181 -0.656 1.831 386 HG2 LYS 54 HG2 LYS 54 17.766 -0.025 3.514 387 HG3 LYS 54 HG3 LYS 54 18.546 -1.123 2.372 388 HD2 LYS 54 HD2 LYS 54 19.400 0.959 1.188 389 HD3 LYS 54 HD3 LYS 54 18.871 1.859 2.612 390 HE2 LYS 54 HE2 LYS 54 20.898 -0.372 2.519 391 HE3 LYS 54 HE3 LYS 54 21.214 1.335 2.823 392 HZ1 LYS 54 HZ1 LYS 54 21.211 0.165 4.890 393 HZ2 LYS 54 HZ2 LYS 54 19.702 -0.530 4.569 394 HZ3 LYS 54 HZ3 LYS 54 19.826 1.136 4.840 395 H GLN 55 H GLN 55 16.595 -2.584 -0.477 396 HA GLN 55 HA GLN 55 19.044 -3.895 0.296 397 HB2 GLN 55 HB2 GLN 55 16.840 -4.928 0.707 398 HB3 GLN 55 HB3 GLN 55 16.572 -5.024 -1.028 399 HG2 GLN 55 HG2 GLN 55 17.304 -7.135 -0.638 400 HG3 GLN 55 HG3 GLN 55 18.847 -6.347 -0.962 401 HE21 GLN 55 HE21 GLN 55 16.989 -8.088 1.275 402 HE22 GLN 55 HE22 GLN 55 18.098 -8.041 2.598 403 H THR 56 H THR 56 17.369 -3.102 -2.701 404 HA THR 56 HA THR 56 19.284 -4.486 -4.351 405 HB THR 56 HB THR 56 17.328 -2.430 -5.352 406 HG1 THR 56 HG1 THR 56 16.756 -5.181 -4.871 407 HG21 THR 56 HG21 THR 56 17.846 -3.224 -7.378 408 HG22 THR 56 HG22 THR 56 17.653 -4.895 -6.849 409 HG23 THR 56 HG23 THR 56 19.189 -4.065 -6.605 410 H ALA 57 H ALA 57 18.329 -1.051 -4.134 411 HA ALA 57 HA ALA 57 20.307 0.083 -5.635 412 HB1 ALA 57 HB1 ALA 57 18.644 0.996 -3.385 413 HB2 ALA 57 HB2 ALA 57 20.096 1.948 -3.697 414 HB3 ALA 57 HB3 ALA 57 18.903 1.716 -4.975 415 H ASN 58 H ASN 58 20.658 -1.508 -2.611 416 HA ASN 58 HA ASN 58 23.343 -0.394 -2.219 417 HB2 ASN 58 HB2 ASN 58 21.433 -0.743 -0.375 418 HB3 ASN 58 HB3 ASN 58 22.188 -2.331 -0.279 419 HD21 ASN 58 HD21 ASN 58 22.114 0.390 1.291 420 HD22 ASN 58 HD22 ASN 58 23.756 0.551 1.805 421 H ALA 59 H ALA 59 21.669 -3.233 -3.221 422 HA ALA 59 HA ALA 59 24.077 -4.882 -2.999 423 HB1 ALA 59 HB1 ALA 59 22.065 -5.928 -2.206 424 HB2 ALA 59 HB2 ALA 59 21.241 -5.596 -3.730 425 HB3 ALA 59 HB3 ALA 59 22.582 -6.740 -3.684 426 H ILE 60 H ILE 60 23.096 -2.671 -5.084 427 HA ILE 60 HA ILE 60 23.576 -4.206 -7.528 428 HB ILE 60 HB ILE 60 22.694 -1.347 -7.126 429 HG12 ILE 60 HG12 ILE 60 21.099 -3.442 -8.538 430 HG13 ILE 60 HG13 ILE 60 21.158 -3.476 -6.779 431 HG21 ILE 60 HG21 ILE 60 23.095 -2.874 -9.695 432 HG22 ILE 60 HG22 ILE 60 22.395 -1.263 -9.553 433 HG23 ILE 60 HG23 ILE 60 24.083 -1.532 -9.119 434 HD11 ILE 60 HD11 ILE 60 19.511 -2.004 -6.772 435 HD12 ILE 60 HD12 ILE 60 20.626 -0.822 -7.459 436 HD13 ILE 60 HD13 ILE 60 19.618 -1.803 -8.521 437 H ALA 61 H ALA 61 25.552 -4.335 -8.337 438 HA ALA 61 HA ALA 61 27.734 -2.827 -7.314 439 HB1 ALA 61 HB1 ALA 61 27.351 -5.048 -9.141 440 HB2 ALA 61 HB2 ALA 61 28.625 -3.951 -9.674 441 HB3 ALA 61 HB3 ALA 61 28.705 -4.683 -8.072 442 H ASP 62 H ASP 62 25.731 -2.595 -10.193 443 HA ASP 62 HA ASP 62 27.344 -0.418 -11.259 444 HB2 ASP 62 HB2 ASP 62 25.644 -0.469 -13.121 445 HB3 ASP 62 HB3 ASP 62 26.553 -1.963 -12.903 446 H LEU 63 H LEU 63 25.634 -0.310 -8.738 447 HA LEU 63 HA LEU 63 23.838 1.887 -9.487 448 HB2 LEU 63 HB2 LEU 63 22.723 0.196 -8.245 449 HB3 LEU 63 HB3 LEU 63 24.007 0.148 -7.039 450 HG LEU 63 HG LEU 63 21.830 1.249 -6.351 451 HD11 LEU 63 HD11 LEU 63 24.117 3.159 -6.115 452 HD12 LEU 63 HD12 LEU 63 24.205 1.565 -5.367 453 HD13 LEU 63 HD13 LEU 63 22.923 2.685 -4.907 454 HD21 LEU 63 HD21 LEU 63 21.030 3.032 -7.423 455 HD22 LEU 63 HD22 LEU 63 22.161 2.637 -8.717 456 HD23 LEU 63 HD23 LEU 63 22.613 3.808 -7.477 457 H ASN 64 H ASN 64 24.072 3.923 -8.675 458 HA ASN 64 HA ASN 64 26.592 4.463 -7.273 459 HB2 ASN 64 HB2 ASN 64 25.757 5.587 -9.535 460 HB3 ASN 64 HB3 ASN 64 24.928 6.660 -8.411 461 HD21 ASN 64 HD21 ASN 64 27.136 7.172 -10.267 462 HD22 ASN 64 HD22 ASN 64 28.421 7.808 -9.303 463 H LEU 65 H LEU 65 26.151 4.240 -5.133 464 HA LEU 65 HA LEU 65 23.839 4.776 -3.762 465 HB2 LEU 65 HB2 LEU 65 26.454 5.509 -2.525 466 HB3 LEU 65 HB3 LEU 65 25.073 4.681 -1.810 467 HG LEU 65 HG LEU 65 27.119 3.519 -3.695 468 HD11 LEU 65 HD11 LEU 65 26.875 1.982 -1.392 469 HD12 LEU 65 HD12 LEU 65 26.849 3.651 -0.824 470 HD13 LEU 65 HD13 LEU 65 28.197 3.075 -1.804 471 HD21 LEU 65 HD21 LEU 65 24.449 2.822 -3.566 472 HD22 LEU 65 HD22 LEU 65 25.235 1.667 -2.489 473 HD23 LEU 65 HD23 LEU 65 25.765 1.812 -4.165 474 H ASN 66 H ASN 66 26.440 7.043 -4.565 475 HA ASN 66 HA ASN 66 25.518 9.265 -3.165 476 HB2 ASN 66 HB2 ASN 66 27.207 8.896 -5.607 477 HB3 ASN 66 HB3 ASN 66 26.679 10.519 -5.173 478 HD21 ASN 66 HD21 ASN 66 27.490 7.858 -3.014 479 HD22 ASN 66 HD22 ASN 66 28.840 8.636 -2.269 480 H ALA 67 H ALA 67 24.845 8.307 -6.525 481 HA ALA 67 HA ALA 67 23.112 10.452 -7.109 482 HB1 ALA 67 HB1 ALA 67 24.145 9.121 -8.859 483 HB2 ALA 67 HB2 ALA 67 23.233 7.702 -8.342 484 HB3 ALA 67 HB3 ALA 67 22.388 9.094 -9.020 485 H ALA 68 H ALA 68 22.331 7.051 -6.352 486 HA ALA 68 HA ALA 68 19.551 7.446 -6.164 487 HB1 ALA 68 HB1 ALA 68 20.480 5.301 -4.467 488 HB2 ALA 68 HB2 ALA 68 19.523 5.233 -5.948 489 HB3 ALA 68 HB3 ALA 68 21.284 5.276 -6.037 490 H ALA 69 H ALA 69 22.067 8.341 -4.072 491 HA ALA 69 HA ALA 69 20.435 8.313 -1.667 492 HB1 ALA 69 HB1 ALA 69 23.272 9.169 -2.196 493 HB2 ALA 69 HB2 ALA 69 22.481 9.343 -0.629 494 HB3 ALA 69 HB3 ALA 69 22.713 7.740 -1.327 495 H GLY 70 H GLY 70 21.920 10.691 -3.845 496 HA2 GLY 70 HA2 GLY 70 20.807 12.927 -2.403 497 HA3 GLY 70 HA3 GLY 70 21.682 12.996 -3.925 498 H LEU 71 H LEU 71 20.034 11.169 -5.365 499 HA LEU 71 HA LEU 71 18.208 12.817 -6.554 500 HB2 LEU 71 HB2 LEU 71 18.522 10.931 -7.778 501 HB3 LEU 71 HB3 LEU 71 18.526 9.882 -6.361 502 HG LEU 71 HG LEU 71 15.977 10.375 -6.302 503 HD11 LEU 71 HD11 LEU 71 16.495 12.076 -8.294 504 HD12 LEU 71 HD12 LEU 71 14.953 11.238 -8.126 505 HD13 LEU 71 HD13 LEU 71 16.173 10.624 -9.241 506 HD21 LEU 71 HD21 LEU 71 16.675 8.697 -8.642 507 HD22 LEU 71 HD22 LEU 71 15.652 8.337 -7.251 508 HD23 LEU 71 HD23 LEU 71 17.408 8.276 -7.094 509 HA PRO 72 HA PRO 72 14.596 11.144 -3.844 510 HB2 PRO 72 HB2 PRO 72 15.211 9.463 -1.803 511 HB3 PRO 72 HB3 PRO 72 14.862 8.898 -3.441 512 HG2 PRO 72 HG2 PRO 72 17.508 9.317 -2.106 513 HG3 PRO 72 HG3 PRO 72 16.975 7.975 -3.136 514 HD2 PRO 72 HD2 PRO 72 18.524 9.995 -4.060 515 HD3 PRO 72 HD3 PRO 72 17.335 9.159 -5.080 516 H ALA 73 H ALA 73 17.614 11.416 -1.981 517 HA ALA 73 HA ALA 73 16.592 12.527 0.348 518 HB1 ALA 73 HB1 ALA 73 18.865 13.512 0.645 519 HB2 ALA 73 HB2 ALA 73 18.864 11.789 0.267 520 HB3 ALA 73 HB3 ALA 73 19.257 12.966 -0.986 521 H LYS 74 H LYS 74 16.657 13.852 -2.768 522 HA LYS 74 HA LYS 74 16.052 16.521 -1.675 523 HB2 LYS 74 HB2 LYS 74 17.682 15.761 -4.085 524 HB3 LYS 74 HB3 LYS 74 16.913 17.339 -3.971 525 HG2 LYS 74 HG2 LYS 74 18.237 17.991 -2.173 526 HG3 LYS 74 HG3 LYS 74 18.693 16.331 -1.785 527 HD2 LYS 74 HD2 LYS 74 20.484 17.724 -2.883 528 HD3 LYS 74 HD3 LYS 74 20.122 16.188 -3.674 529 HE2 LYS 74 HE2 LYS 74 20.324 17.868 -5.365 530 HE3 LYS 74 HE3 LYS 74 18.623 17.425 -5.233 531 HZ1 LYS 74 HZ1 LYS 74 19.035 19.849 -5.397 532 HZ2 LYS 74 HZ2 LYS 74 19.823 19.790 -3.902 533 HZ3 LYS 74 HZ3 LYS 74 18.180 19.403 -4.007 534 H CYS 75 H CYS 75 15.812 14.909 -4.848 535 HA CYS 75 HA CYS 75 13.865 15.949 -6.160 536 HB2 CYS 75 HB2 CYS 75 14.205 13.084 -5.434 537 HB3 CYS 75 HB3 CYS 75 12.716 13.537 -6.256 538 H GLY 76 H GLY 76 13.036 13.994 -3.292 539 HA2 GLY 76 HA2 GLY 76 10.875 15.819 -2.659 540 HA3 GLY 76 HA3 GLY 76 10.359 14.211 -3.144 541 H VAL 77 H VAL 77 12.819 13.034 -1.914 542 HA VAL 77 HA VAL 77 11.711 12.703 0.735 543 HB VAL 77 HB VAL 77 14.289 11.493 -0.229 544 HG11 VAL 77 HG11 VAL 77 14.147 10.774 1.901 545 HG12 VAL 77 HG12 VAL 77 12.411 11.072 1.998 546 HG13 VAL 77 HG13 VAL 77 13.014 9.607 1.223 547 HG21 VAL 77 HG21 VAL 77 13.094 9.674 -1.219 548 HG22 VAL 77 HG22 VAL 77 11.546 10.332 -0.690 549 HG23 VAL 77 HG23 VAL 77 12.483 11.168 -1.928 550 H ASN 78 H ASN 78 12.908 15.298 -0.018 551 HA ASN 78 HA ASN 78 15.190 16.226 0.636 552 HB2 ASN 78 HB2 ASN 78 14.261 17.889 2.228 553 HB3 ASN 78 HB3 ASN 78 13.250 17.677 0.801 554 HD21 ASN 78 HD21 ASN 78 12.681 18.598 3.577 555 HD22 ASN 78 HD22 ASN 78 11.363 17.615 4.108 556 H ILE 79 H ILE 79 13.245 14.785 3.251 557 HA ILE 79 HA ILE 79 14.616 14.905 5.463 558 HB ILE 79 HB ILE 79 13.907 12.214 4.288 559 HG12 ILE 79 HG12 ILE 79 11.985 13.022 6.166 560 HG13 ILE 79 HG13 ILE 79 12.289 14.444 5.174 561 HG21 ILE 79 HG21 ILE 79 15.417 12.328 6.351 562 HG22 ILE 79 HG22 ILE 79 13.992 12.924 7.201 563 HG23 ILE 79 HG23 ILE 79 13.967 11.328 6.451 564 HD11 ILE 79 HD11 ILE 79 10.494 12.570 4.553 565 HD12 ILE 79 HD12 ILE 79 11.347 13.530 3.344 566 HD13 ILE 79 HD13 ILE 79 11.905 11.903 3.732 567 HA PRO 80 HA PRO 80 18.877 13.996 4.758 568 HB2 PRO 80 HB2 PRO 80 19.627 13.650 7.344 569 HB3 PRO 80 HB3 PRO 80 19.289 15.238 6.647 570 HG2 PRO 80 HG2 PRO 80 17.532 13.498 8.334 571 HG3 PRO 80 HG3 PRO 80 17.791 15.250 8.425 572 HD2 PRO 80 HD2 PRO 80 15.616 14.158 7.236 573 HD3 PRO 80 HD3 PRO 80 16.343 15.681 6.684 574 H TYR 81 H TYR 81 18.338 11.938 3.705 575 HA TYR 81 HA TYR 81 19.108 9.667 5.401 576 HB2 TYR 81 HB2 TYR 81 16.700 9.927 3.655 577 HB3 TYR 81 HB3 TYR 81 17.491 8.358 3.759 578 HD1 TYR 81 HD1 TYR 81 18.293 8.157 6.532 579 HD2 TYR 81 HD2 TYR 81 14.739 9.811 4.878 580 HE1 TYR 81 HE1 TYR 81 17.107 7.695 8.636 581 HE2 TYR 81 HE2 TYR 81 13.542 9.354 6.978 582 HH TYR 81 HH TYR 81 15.169 8.411 9.852 583 H LYS 82 H LYS 82 20.151 7.939 4.293 584 HA LYS 82 HA LYS 82 21.199 8.674 1.639 585 HB2 LYS 82 HB2 LYS 82 22.710 8.664 3.872 586 HB3 LYS 82 HB3 LYS 82 22.878 6.979 3.397 587 HG2 LYS 82 HG2 LYS 82 24.100 7.474 1.556 588 HG3 LYS 82 HG3 LYS 82 23.273 9.009 1.282 589 HD2 LYS 82 HD2 LYS 82 24.481 9.768 3.443 590 HD3 LYS 82 HD3 LYS 82 25.534 8.382 3.148 591 HE2 LYS 82 HE2 LYS 82 26.550 10.304 2.156 592 HE3 LYS 82 HE3 LYS 82 25.946 9.278 0.856 593 HZ1 LYS 82 HZ1 LYS 82 25.447 11.927 1.136 594 HZ2 LYS 82 HZ2 LYS 82 24.033 11.226 1.743 595 HZ3 LYS 82 HZ3 LYS 82 24.553 10.860 0.175 596 H ILE 83 H ILE 83 22.510 6.491 0.884 597 HA ILE 83 HA ILE 83 20.561 4.291 1.103 598 HB ILE 83 HB ILE 83 20.379 5.396 -1.088 599 HG12 ILE 83 HG12 ILE 83 21.413 3.095 -2.279 600 HG13 ILE 83 HG13 ILE 83 21.026 2.598 -0.635 601 HG21 ILE 83 HG21 ILE 83 22.118 5.879 -2.439 602 HG22 ILE 83 HG22 ILE 83 23.037 5.804 -0.937 603 HG23 ILE 83 HG23 ILE 83 22.994 4.409 -2.014 604 HD11 ILE 83 HD11 ILE 83 19.208 3.624 -2.771 605 HD12 ILE 83 HD12 ILE 83 19.084 2.152 -1.806 606 HD13 ILE 83 HD13 ILE 83 18.752 3.720 -1.070 607 H SER 84 H SER 84 23.888 5.287 0.907 608 HA SER 84 HA SER 84 25.300 3.041 0.372 609 HB2 SER 84 HB2 SER 84 26.959 4.393 1.029 610 HB3 SER 84 HB3 SER 84 25.790 5.465 1.800 611 HG SER 84 HG SER 84 26.894 4.844 3.511 612 HA PRO 85 HA PRO 85 24.618 -0.092 3.366 613 HB2 PRO 85 HB2 PRO 85 27.118 -0.949 3.988 614 HB3 PRO 85 HB3 PRO 85 26.351 -1.275 2.429 615 HG2 PRO 85 HG2 PRO 85 28.353 0.830 3.151 616 HG3 PRO 85 HG3 PRO 85 28.286 -0.204 1.712 617 HD2 PRO 85 HD2 PRO 85 27.441 2.368 1.698 618 HD3 PRO 85 HD3 PRO 85 26.699 1.114 0.684 619 H SER 86 H SER 86 24.940 2.702 4.406 620 HA SER 86 HA SER 86 25.734 1.989 7.153 621 HB2 SER 86 HB2 SER 86 26.570 4.253 7.482 622 HB3 SER 86 HB3 SER 86 27.379 3.521 6.096 623 HG SER 86 HG SER 86 25.728 5.700 6.211 624 H THR 87 H THR 87 23.570 3.769 5.053 625 HA THR 87 HA THR 87 22.036 4.965 7.142 626 HB THR 87 HB THR 87 21.940 6.041 5.026 627 HG1 THR 87 HG1 THR 87 19.899 6.395 5.417 628 HG21 THR 87 HG21 THR 87 20.523 4.200 3.381 629 HG22 THR 87 HG22 THR 87 21.963 3.393 4.001 630 HG23 THR 87 HG23 THR 87 22.115 4.911 3.116 631 H ASP 88 H ASP 88 19.831 4.465 7.684 632 HA ASP 88 HA ASP 88 19.177 1.610 7.352 633 HB2 ASP 88 HB2 ASP 88 19.870 2.156 9.660 634 HB3 ASP 88 HB3 ASP 88 18.589 3.363 9.748 635 H CYS 89 H CYS 89 16.873 1.090 7.474 636 HA CYS 89 HA CYS 89 15.268 3.213 6.230 637 HB2 CYS 89 HB2 CYS 89 15.340 0.249 5.984 638 HB3 CYS 89 HB3 CYS 89 13.776 1.036 5.800 639 H ASN 90 H ASN 90 15.173 0.729 8.747 640 HA ASN 90 HA ASN 90 12.624 0.922 9.684 641 HB2 ASN 90 HB2 ASN 90 14.638 -0.449 10.577 642 HB3 ASN 90 HB3 ASN 90 14.916 0.936 11.629 643 HD21 ASN 90 HD21 ASN 90 13.022 1.646 12.920 644 HD22 ASN 90 HD22 ASN 90 11.988 0.421 13.565 645 H ARG 91 H ARG 91 15.087 3.345 9.824 646 HA ARG 91 HA ARG 91 13.729 4.937 11.823 647 HB2 ARG 91 HB2 ARG 91 16.228 5.254 10.197 648 HB3 ARG 91 HB3 ARG 91 15.533 6.647 11.014 649 HG2 ARG 91 HG2 ARG 91 15.593 5.225 13.129 650 HG3 ARG 91 HG3 ARG 91 16.645 4.139 12.219 651 HD2 ARG 91 HD2 ARG 91 17.123 7.025 12.925 652 HD3 ARG 91 HD3 ARG 91 18.053 5.616 13.435 653 HE ARG 91 HE ARG 91 17.989 6.039 10.584 654 HH11 ARG 91 HH11 ARG 91 19.628 6.739 13.574 655 HH12 ARG 91 HH12 ARG 91 21.138 7.112 12.811 656 HH21 ARG 91 HH21 ARG 91 19.972 6.528 9.567 657 HH22 ARG 91 HH22 ARG 91 21.332 6.992 10.531 658 H VAL 92 H VAL 92 14.106 4.875 8.329 659 HA VAL 92 HA VAL 92 12.986 7.402 7.772 660 HB VAL 92 HB VAL 92 12.963 4.925 6.040 661 HG11 VAL 92 HG11 VAL 92 11.551 6.229 4.850 662 HG12 VAL 92 HG12 VAL 92 12.113 7.720 5.609 663 HG13 VAL 92 HG13 VAL 92 13.055 6.980 4.315 664 HG21 VAL 92 HG21 VAL 92 14.877 7.035 5.417 665 HG22 VAL 92 HG22 VAL 92 15.157 6.281 6.987 666 HG23 VAL 92 HG23 VAL 92 15.110 5.291 5.528 667 H VAL 93 H VAL 93 11.184 7.481 9.248 668 HA VAL 93 HA VAL 93 8.965 5.699 8.952 669 HB VAL 93 HB VAL 93 7.807 7.082 10.517 670 HG11 VAL 93 HG11 VAL 93 9.995 5.777 11.165 671 HG12 VAL 93 HG12 VAL 93 10.597 7.399 11.514 672 HG13 VAL 93 HG13 VAL 93 9.163 6.792 12.343 673 HG21 VAL 93 HG21 VAL 93 8.767 9.269 11.252 674 HG22 VAL 93 HG22 VAL 93 9.902 9.162 9.906 675 HG23 VAL 93 HG23 VAL 93 8.169 9.258 9.593 Start of MODEL 10 1 H1 LEU 1 H LEU 1 3.915 0.582 0.139 2 HA LEU 1 HA LEU 1 2.177 0.656 -2.240 3 HB2 LEU 1 HB2 LEU 1 5.047 1.506 -1.919 4 HB3 LEU 1 HB3 LEU 1 4.264 1.298 -3.484 5 HG LEU 1 HG LEU 1 4.210 3.603 -3.077 6 HD11 LEU 1 HD11 LEU 1 1.536 2.656 -2.074 7 HD12 LEU 1 HD12 LEU 1 2.036 2.567 -3.762 8 HD13 LEU 1 HD13 LEU 1 1.895 4.134 -2.966 9 HD21 LEU 1 HD21 LEU 1 4.677 3.149 -0.540 10 HD22 LEU 1 HD22 LEU 1 2.929 3.339 -0.397 11 HD23 LEU 1 HD23 LEU 1 3.908 4.650 -1.056 12 H THR 2 H THR 2 2.257 -1.024 -3.634 13 HA THR 2 HA THR 2 3.453 -3.460 -2.767 14 HB THR 2 HB THR 2 2.688 -4.274 -5.083 15 HG1 THR 2 HG1 THR 2 2.566 -1.896 -5.749 16 HG21 THR 2 HG21 THR 2 1.352 -4.835 -3.220 17 HG22 THR 2 HG22 THR 2 0.244 -4.103 -4.380 18 HG23 THR 2 HG23 THR 2 0.819 -3.169 -3.000 19 H CYS 3 H CYS 3 5.280 -4.466 -3.420 20 HA CYS 3 HA CYS 3 7.497 -3.191 -4.277 21 HB2 CYS 3 HB2 CYS 3 6.600 -6.027 -4.563 22 HB3 CYS 3 HB3 CYS 3 8.086 -5.529 -5.366 23 H GLY 4 H GLY 4 4.820 -4.182 -6.257 24 HA2 GLY 4 HA2 GLY 4 6.097 -4.070 -8.781 25 HA3 GLY 4 HA3 GLY 4 4.369 -3.924 -8.495 26 H GLN 5 H GLN 5 4.230 -1.638 -6.980 27 HA GLN 5 HA GLN 5 4.573 0.366 -8.991 28 HB2 GLN 5 HB2 GLN 5 3.620 0.494 -6.131 29 HB3 GLN 5 HB3 GLN 5 3.680 1.897 -7.190 30 HG2 GLN 5 HG2 GLN 5 2.240 0.468 -8.783 31 HG3 GLN 5 HG3 GLN 5 1.925 -0.515 -7.354 32 HE21 GLN 5 HE21 GLN 5 0.077 -0.024 -6.440 33 HE22 GLN 5 HE22 GLN 5 -0.616 1.554 -6.312 34 H VAL 6 H VAL 6 5.977 -0.163 -5.766 35 HA VAL 6 HA VAL 6 7.588 2.011 -5.489 36 HB VAL 6 HB VAL 6 8.606 -0.761 -4.889 37 HG11 VAL 6 HG11 VAL 6 9.790 0.279 -3.101 38 HG12 VAL 6 HG12 VAL 6 10.093 1.231 -4.556 39 HG13 VAL 6 HG13 VAL 6 8.942 1.805 -3.348 40 HG21 VAL 6 HG21 VAL 6 7.435 -0.333 -2.637 41 HG22 VAL 6 HG22 VAL 6 6.453 0.827 -3.533 42 HG23 VAL 6 HG23 VAL 6 6.454 -0.874 -3.999 43 H THR 7 H THR 7 8.716 -1.040 -6.961 44 HA THR 7 HA THR 7 11.125 0.012 -7.948 45 HB THR 7 HB THR 7 9.836 -2.214 -9.444 46 HG1 THR 7 HG1 THR 7 10.513 -3.582 -7.573 47 HG21 THR 7 HG21 THR 7 12.101 -3.204 -9.109 48 HG22 THR 7 HG22 THR 7 12.567 -1.737 -8.248 49 HG23 THR 7 HG23 THR 7 12.121 -1.655 -9.952 50 H GLY 8 H GLY 8 7.904 -0.200 -9.358 51 HA2 GLY 8 HA2 GLY 8 8.591 0.474 -12.006 52 HA3 GLY 8 HA3 GLY 8 7.011 0.701 -11.271 53 H ALA 9 H ALA 9 8.262 2.421 -9.150 54 HA ALA 9 HA ALA 9 8.080 4.902 -10.641 55 HB1 ALA 9 HB1 ALA 9 8.478 5.749 -8.143 56 HB2 ALA 9 HB2 ALA 9 6.901 5.219 -8.730 57 HB3 ALA 9 HB3 ALA 9 7.909 4.116 -7.793 58 H LEU 10 H LEU 10 10.499 2.975 -9.030 59 HA LEU 10 HA LEU 10 12.497 5.089 -9.275 60 HB2 LEU 10 HB2 LEU 10 12.566 2.347 -8.036 61 HB3 LEU 10 HB3 LEU 10 13.983 3.388 -8.163 62 HG LEU 10 HG LEU 10 11.703 3.500 -6.298 63 HD11 LEU 10 HD11 LEU 10 14.310 4.817 -5.822 64 HD12 LEU 10 HD12 LEU 10 14.312 3.063 -6.003 65 HD13 LEU 10 HD13 LEU 10 13.327 3.819 -4.750 66 HD21 LEU 10 HD21 LEU 10 12.959 6.012 -7.399 67 HD22 LEU 10 HD22 LEU 10 11.911 5.924 -5.983 68 HD23 LEU 10 HD23 LEU 10 11.275 5.520 -7.578 69 H ALA 11 H ALA 11 11.204 2.906 -11.297 70 HA ALA 11 HA ALA 11 13.323 1.516 -12.452 71 HB1 ALA 11 HB1 ALA 11 11.582 0.732 -13.583 72 HB2 ALA 11 HB2 ALA 11 10.592 2.115 -13.118 73 HB3 ALA 11 HB3 ALA 11 11.610 2.204 -14.555 74 HA PRO 12 HA PRO 12 13.938 5.181 -15.532 75 HB2 PRO 12 HB2 PRO 12 12.612 7.493 -15.016 76 HB3 PRO 12 HB3 PRO 12 11.930 6.194 -16.002 77 HG2 PRO 12 HG2 PRO 12 11.435 6.845 -13.122 78 HG3 PRO 12 HG3 PRO 12 10.274 6.383 -14.381 79 HD2 PRO 12 HD2 PRO 12 11.197 4.629 -12.536 80 HD3 PRO 12 HD3 PRO 12 10.764 4.140 -14.187 81 H CYS 13 H CYS 13 14.162 5.131 -12.240 82 HA CYS 13 HA CYS 13 15.712 7.585 -11.974 83 HB2 CYS 13 HB2 CYS 13 14.773 5.503 -10.005 84 HB3 CYS 13 HB3 CYS 13 15.912 6.770 -9.557 85 H LEU 14 H LEU 14 16.149 4.124 -12.149 86 HA LEU 14 HA LEU 14 18.680 3.775 -11.142 87 HB2 LEU 14 HB2 LEU 14 17.604 2.510 -13.656 88 HB3 LEU 14 HB3 LEU 14 18.904 1.886 -12.644 89 HG LEU 14 HG LEU 14 15.955 1.945 -12.093 90 HD11 LEU 14 HD11 LEU 14 16.986 0.022 -13.280 91 HD12 LEU 14 HD12 LEU 14 16.243 -0.407 -11.739 92 HD13 LEU 14 HD13 LEU 14 17.996 -0.258 -11.862 93 HD21 LEU 14 HD21 LEU 14 18.133 1.428 -10.072 94 HD22 LEU 14 HD22 LEU 14 16.396 1.275 -9.807 95 HD23 LEU 14 HD23 LEU 14 17.105 2.861 -10.119 96 H GLY 15 H GLY 15 17.785 4.862 -14.404 97 HA2 GLY 15 HA2 GLY 15 20.207 4.963 -15.658 98 HA3 GLY 15 HA3 GLY 15 18.958 6.178 -15.889 99 H TYR 16 H TYR 16 18.880 7.615 -13.675 100 HA TYR 16 HA TYR 16 21.215 9.198 -13.814 101 HB2 TYR 16 HB2 TYR 16 19.073 10.194 -13.265 102 HB3 TYR 16 HB3 TYR 16 18.947 9.208 -11.813 103 HD1 TYR 16 HD1 TYR 16 21.033 11.854 -13.394 104 HD2 TYR 16 HD2 TYR 16 19.768 10.006 -9.777 105 HE1 TYR 16 HE1 TYR 16 22.155 13.623 -12.105 106 HE2 TYR 16 HE2 TYR 16 20.885 11.769 -8.477 107 HH TYR 16 HH TYR 16 23.098 13.499 -9.248 108 H LEU 17 H LEU 17 20.212 6.615 -11.699 109 HA LEU 17 HA LEU 17 22.094 7.096 -9.626 110 HB2 LEU 17 HB2 LEU 17 20.679 4.561 -10.436 111 HB3 LEU 17 HB3 LEU 17 21.594 4.776 -8.945 112 HG LEU 17 HG LEU 17 19.084 6.276 -9.690 113 HD11 LEU 17 HD11 LEU 17 17.867 4.742 -8.603 114 HD12 LEU 17 HD12 LEU 17 19.093 4.504 -7.359 115 HD13 LEU 17 HD13 LEU 17 19.238 3.676 -8.909 116 HD21 LEU 17 HD21 LEU 17 21.077 6.562 -7.538 117 HD22 LEU 17 HD22 LEU 17 19.387 6.599 -7.033 118 HD23 LEU 17 HD23 LEU 17 19.974 7.750 -8.234 119 H ARG 18 H ARG 18 22.149 5.197 -12.590 120 HA ARG 18 HA ARG 18 24.885 4.326 -12.003 121 HB2 ARG 18 HB2 ARG 18 22.909 3.467 -14.120 122 HB3 ARG 18 HB3 ARG 18 24.568 2.888 -14.041 123 HG2 ARG 18 HG2 ARG 18 23.519 1.202 -12.937 124 HG3 ARG 18 HG3 ARG 18 23.867 2.269 -11.575 125 HD2 ARG 18 HD2 ARG 18 21.563 1.438 -11.516 126 HD3 ARG 18 HD3 ARG 18 21.623 3.191 -11.697 127 HE ARG 18 HE ARG 18 20.674 2.984 -13.780 128 HH11 ARG 18 HH11 ARG 18 21.687 -0.144 -12.638 129 HH12 ARG 18 HH12 ARG 18 20.884 -1.012 -13.904 130 HH21 ARG 18 HH21 ARG 18 19.612 1.854 -15.453 131 HH22 ARG 18 HH22 ARG 18 19.705 0.126 -15.506 132 H THR 19 H THR 19 23.582 6.982 -13.203 133 HA THR 19 HA THR 19 24.905 7.282 -15.716 134 HB THR 19 HB THR 19 23.508 9.186 -13.861 135 HG1 THR 19 HG1 THR 19 23.087 8.172 -16.480 136 HG21 THR 19 HG21 THR 19 23.915 10.787 -15.941 137 HG22 THR 19 HG22 THR 19 25.395 9.837 -16.065 138 HG23 THR 19 HG23 THR 19 25.039 10.724 -14.584 139 H ALA 20 H ALA 20 27.078 6.725 -15.300 140 HA ALA 20 HA ALA 20 28.731 7.754 -13.331 141 HB1 ALA 20 HB1 ALA 20 30.372 6.661 -14.401 142 HB2 ALA 20 HB2 ALA 20 29.069 6.052 -15.422 143 HB3 ALA 20 HB3 ALA 20 30.023 7.440 -15.944 144 H GLY 21 H GLY 21 29.573 9.697 -12.921 145 HA2 GLY 21 HA2 GLY 21 30.750 11.663 -13.755 146 HA3 GLY 21 HA3 GLY 21 29.630 11.677 -15.110 147 H SER 22 H SER 22 29.687 14.008 -14.149 148 HA SER 22 HA SER 22 27.810 14.297 -11.927 149 HB2 SER 22 HB2 SER 22 29.743 16.133 -13.298 150 HB3 SER 22 HB3 SER 22 28.398 16.815 -12.383 151 HG SER 22 HG SER 22 30.330 14.987 -11.386 152 H VAL 23 H VAL 23 25.795 15.142 -12.118 153 HA VAL 23 HA VAL 23 24.886 16.525 -14.446 154 HB VAL 23 HB VAL 23 23.085 14.796 -14.970 155 HG11 VAL 23 HG11 VAL 23 24.331 13.968 -16.713 156 HG12 VAL 23 HG12 VAL 23 25.319 15.349 -16.229 157 HG13 VAL 23 HG13 VAL 23 25.764 13.721 -15.715 158 HG21 VAL 23 HG21 VAL 23 24.920 12.660 -14.104 159 HG22 VAL 23 HG22 VAL 23 24.036 13.479 -12.816 160 HG23 VAL 23 HG23 VAL 23 23.157 12.701 -14.132 161 HA PRO 24 HA PRO 24 21.889 17.966 -11.578 162 HB2 PRO 24 HB2 PRO 24 19.869 18.667 -13.251 163 HB3 PRO 24 HB3 PRO 24 21.373 19.588 -13.121 164 HG2 PRO 24 HG2 PRO 24 20.562 17.563 -15.172 165 HG3 PRO 24 HG3 PRO 24 21.378 19.120 -15.399 166 HD2 PRO 24 HD2 PRO 24 22.710 16.762 -15.409 167 HD3 PRO 24 HD3 PRO 24 23.439 18.268 -14.815 168 H VAL 25 H VAL 25 20.137 17.282 -10.407 169 HA VAL 25 HA VAL 25 19.348 14.646 -10.448 170 HB VAL 25 HB VAL 25 18.161 17.107 -9.258 171 HG11 VAL 25 HG11 VAL 25 16.496 15.343 -8.186 172 HG12 VAL 25 HG12 VAL 25 16.099 16.223 -9.663 173 HG13 VAL 25 HG13 VAL 25 16.705 14.569 -9.757 174 HG21 VAL 25 HG21 VAL 25 20.013 15.937 -8.163 175 HG22 VAL 25 HG22 VAL 25 18.549 15.890 -7.181 176 HG23 VAL 25 HG23 VAL 25 19.043 14.466 -8.096 177 HA PRO 26 HA PRO 26 16.630 14.319 -13.916 178 HB2 PRO 26 HB2 PRO 26 15.479 11.951 -13.255 179 HB3 PRO 26 HB3 PRO 26 17.125 12.075 -13.886 180 HG2 PRO 26 HG2 PRO 26 16.200 11.775 -11.055 181 HG3 PRO 26 HG3 PRO 26 17.541 10.966 -11.886 182 HD2 PRO 26 HD2 PRO 26 17.915 13.074 -10.229 183 HD3 PRO 26 HD3 PRO 26 18.951 12.772 -11.638 184 H LEU 27 H LEU 27 14.853 15.521 -14.111 185 HA LEU 27 HA LEU 27 13.082 16.144 -12.029 186 HB2 LEU 27 HB2 LEU 27 13.139 17.669 -13.782 187 HB3 LEU 27 HB3 LEU 27 12.971 16.413 -15.006 188 HG LEU 27 HG LEU 27 10.595 16.105 -14.112 189 HD11 LEU 27 HD11 LEU 27 10.948 18.901 -13.092 190 HD12 LEU 27 HD12 LEU 27 11.163 17.503 -12.039 191 HD13 LEU 27 HD13 LEU 27 9.611 17.782 -12.828 192 HD21 LEU 27 HD21 LEU 27 10.667 17.024 -16.213 193 HD22 LEU 27 HD22 LEU 27 11.633 18.406 -15.697 194 HD23 LEU 27 HD23 LEU 27 9.914 18.337 -15.307 195 H THR 28 H THR 28 12.396 14.172 -14.924 196 HA THR 28 HA THR 28 9.936 13.198 -14.263 197 HB THR 28 HB THR 28 10.468 11.175 -15.593 198 HG1 THR 28 HG1 THR 28 12.549 10.677 -15.215 199 HG21 THR 28 HG21 THR 28 11.782 13.294 -17.170 200 HG22 THR 28 HG22 THR 28 10.217 13.719 -16.476 201 HG23 THR 28 HG23 THR 28 10.359 12.321 -17.540 202 H CYS 29 H CYS 29 13.042 11.668 -13.410 203 HA CYS 29 HA CYS 29 12.077 9.509 -11.982 204 HB2 CYS 29 HB2 CYS 29 14.391 9.541 -12.411 205 HB3 CYS 29 HB3 CYS 29 14.589 11.141 -11.705 206 H CYS 30 H CYS 30 12.773 12.786 -10.810 207 HA CYS 30 HA CYS 30 12.287 12.425 -8.111 208 HB2 CYS 30 HB2 CYS 30 11.674 14.829 -9.842 209 HB3 CYS 30 HB3 CYS 30 11.676 14.845 -8.081 210 H ASN 31 H ASN 31 9.946 13.391 -10.618 211 HA ASN 31 HA ASN 31 7.663 13.733 -9.245 212 HB2 ASN 31 HB2 ASN 31 8.241 12.467 -11.875 213 HB3 ASN 31 HB3 ASN 31 6.614 12.272 -11.229 214 HD21 ASN 31 HD21 ASN 31 7.431 13.717 -13.575 215 HD22 ASN 31 HD22 ASN 31 6.953 15.361 -13.341 216 H GLY 32 H GLY 32 9.161 10.603 -9.929 217 HA2 GLY 32 HA2 GLY 32 7.045 9.087 -8.719 218 HA3 GLY 32 HA3 GLY 32 8.618 8.475 -9.211 219 H VAL 33 H VAL 33 10.441 9.601 -7.747 220 HA VAL 33 HA VAL 33 10.386 8.398 -5.287 221 HB VAL 33 HB VAL 33 11.818 11.014 -5.636 222 HG11 VAL 33 HG11 VAL 33 13.103 8.594 -4.529 223 HG12 VAL 33 HG12 VAL 33 13.213 10.278 -4.011 224 HG13 VAL 33 HG13 VAL 33 11.806 9.308 -3.571 225 HG21 VAL 33 HG21 VAL 33 12.330 10.059 -7.694 226 HG22 VAL 33 HG22 VAL 33 13.660 9.526 -6.665 227 HG23 VAL 33 HG23 VAL 33 12.338 8.420 -7.042 228 H ARG 34 H ARG 34 9.448 11.734 -6.055 229 HA ARG 34 HA ARG 34 8.913 12.595 -3.451 230 HB2 ARG 34 HB2 ARG 34 8.957 14.321 -4.993 231 HB3 ARG 34 HB3 ARG 34 7.990 13.437 -6.166 232 HG2 ARG 34 HG2 ARG 34 5.989 13.845 -4.934 233 HG3 ARG 34 HG3 ARG 34 6.899 14.518 -3.580 234 HD2 ARG 34 HD2 ARG 34 6.993 15.708 -6.339 235 HD3 ARG 34 HD3 ARG 34 5.771 16.170 -5.155 236 HE ARG 34 HE ARG 34 8.085 16.504 -3.803 237 HH11 ARG 34 HH11 ARG 34 6.960 17.603 -6.908 238 HH12 ARG 34 HH12 ARG 34 7.893 19.063 -6.876 239 HH21 ARG 34 HH21 ARG 34 9.319 18.422 -3.748 240 HH22 ARG 34 HH22 ARG 34 9.235 19.527 -5.078 241 H GLY 35 H GLY 35 6.608 11.377 -5.894 242 HA2 GLY 35 HA2 GLY 35 4.350 11.359 -4.249 243 HA3 GLY 35 HA3 GLY 35 4.575 10.341 -5.663 244 H LEU 36 H LEU 36 7.050 9.204 -4.326 245 HA LEU 36 HA LEU 36 5.754 6.960 -3.139 246 HB2 LEU 36 HB2 LEU 36 8.553 7.771 -3.701 247 HB3 LEU 36 HB3 LEU 36 8.291 6.514 -2.494 248 HG LEU 36 HG LEU 36 7.455 6.423 -5.392 249 HD11 LEU 36 HD11 LEU 36 9.792 5.469 -3.885 250 HD12 LEU 36 HD12 LEU 36 9.616 5.841 -5.599 251 HD13 LEU 36 HD13 LEU 36 9.057 4.290 -4.972 252 HD21 LEU 36 HD21 LEU 36 6.754 4.757 -3.041 253 HD22 LEU 36 HD22 LEU 36 7.103 3.923 -4.556 254 HD23 LEU 36 HD23 LEU 36 5.818 5.130 -4.489 255 H ASN 37 H ASN 37 7.954 9.442 -1.834 256 HA ASN 37 HA ASN 37 7.829 8.596 0.838 257 HB2 ASN 37 HB2 ASN 37 9.568 10.058 0.557 258 HB3 ASN 37 HB3 ASN 37 8.674 11.072 -0.571 259 HD21 ASN 37 HD21 ASN 37 8.877 13.029 0.312 260 HD22 ASN 37 HD22 ASN 37 8.368 13.453 1.909 261 H ASN 38 H ASN 38 5.820 10.823 -1.011 262 HA ASN 38 HA ASN 38 4.245 11.553 1.303 263 HB2 ASN 38 HB2 ASN 38 4.446 13.316 -0.229 264 HB3 ASN 38 HB3 ASN 38 4.160 12.268 -1.615 265 HD21 ASN 38 HD21 ASN 38 2.673 13.885 1.104 266 HD22 ASN 38 HD22 ASN 38 1.060 13.857 0.485 267 H ALA 39 H ALA 39 4.385 8.866 -0.568 268 HA ALA 39 HA ALA 39 1.492 8.381 -0.548 269 HB1 ALA 39 HB1 ALA 39 2.334 7.874 -2.664 270 HB2 ALA 39 HB2 ALA 39 3.772 7.091 -2.007 271 HB3 ALA 39 HB3 ALA 39 2.201 6.303 -1.873 272 H ALA 40 H ALA 40 3.762 8.152 1.643 273 HA ALA 40 HA ALA 40 2.681 5.663 2.766 274 HB1 ALA 40 HB1 ALA 40 5.525 6.335 2.263 275 HB2 ALA 40 HB2 ALA 40 5.137 5.493 3.764 276 HB3 ALA 40 HB3 ALA 40 4.701 4.776 2.212 277 H ARG 41 H ARG 41 1.516 6.393 4.436 278 HA ARG 41 HA ARG 41 2.705 8.445 6.180 279 HB2 ARG 41 HB2 ARG 41 0.188 8.465 7.012 280 HB3 ARG 41 HB3 ARG 41 0.700 9.386 5.605 281 HG2 ARG 41 HG2 ARG 41 -0.305 6.598 5.260 282 HG3 ARG 41 HG3 ARG 41 -1.444 7.924 5.500 283 HD2 ARG 41 HD2 ARG 41 0.660 7.762 3.344 284 HD3 ARG 41 HD3 ARG 41 -1.067 7.484 3.124 285 HE ARG 41 HE ARG 41 -1.446 9.776 3.321 286 HH11 ARG 41 HH11 ARG 41 1.913 8.991 3.796 287 HH12 ARG 41 HH12 ARG 41 2.454 10.628 3.625 288 HH21 ARG 41 HH21 ARG 41 -0.746 11.935 3.095 289 HH22 ARG 41 HH22 ARG 41 0.941 12.302 3.228 290 H THR 42 H THR 42 2.246 5.187 5.973 291 HA THR 42 HA THR 42 1.990 4.873 8.892 292 HB THR 42 HB THR 42 0.953 2.827 8.624 293 HG1 THR 42 HG1 THR 42 1.447 1.437 7.058 294 HG21 THR 42 HG21 THR 42 -0.289 4.815 7.504 295 HG22 THR 42 HG22 THR 42 -0.888 3.176 7.248 296 HG23 THR 42 HG23 THR 42 0.070 3.970 5.999 297 H THR 43 H THR 43 3.508 3.731 10.017 298 HA THR 43 HA THR 43 6.133 3.677 9.157 299 HB THR 43 HB THR 43 4.848 1.926 11.261 300 HG1 THR 43 HG1 THR 43 4.892 4.387 11.370 301 HG21 THR 43 HG21 THR 43 7.343 2.152 12.128 302 HG22 THR 43 HG22 THR 43 7.671 2.304 10.402 303 HG23 THR 43 HG23 THR 43 6.862 0.866 11.022 304 H ILE 44 H ILE 44 3.688 1.140 8.974 305 HA ILE 44 HA ILE 44 5.376 -0.948 8.131 306 HB ILE 44 HB ILE 44 2.429 -0.461 7.812 307 HG12 ILE 44 HG12 ILE 44 2.200 -2.186 9.439 308 HG13 ILE 44 HG13 ILE 44 3.879 -2.682 9.252 309 HG21 ILE 44 HG21 ILE 44 2.868 -1.666 5.854 310 HG22 ILE 44 HG22 ILE 44 4.081 -2.674 6.642 311 HG23 ILE 44 HG23 ILE 44 2.373 -2.891 7.023 312 HD11 ILE 44 HD11 ILE 44 3.483 -1.468 11.339 313 HD12 ILE 44 HD12 ILE 44 4.626 -0.629 10.289 314 HD13 ILE 44 HD13 ILE 44 2.961 -0.062 10.412 315 H ASP 45 H ASP 45 3.163 1.060 6.178 316 HA ASP 45 HA ASP 45 3.801 0.186 3.673 317 HB2 ASP 45 HB2 ASP 45 3.206 3.003 4.590 318 HB3 ASP 45 HB3 ASP 45 3.282 2.530 2.895 319 H ARG 46 H ARG 46 5.660 2.364 5.710 320 HA ARG 46 HA ARG 46 7.534 3.135 3.718 321 HB2 ARG 46 HB2 ARG 46 7.304 3.388 6.665 322 HB3 ARG 46 HB3 ARG 46 8.923 3.509 5.990 323 HG2 ARG 46 HG2 ARG 46 6.578 5.178 5.109 324 HG3 ARG 46 HG3 ARG 46 7.799 5.691 6.275 325 HD2 ARG 46 HD2 ARG 46 9.513 5.195 4.464 326 HD3 ARG 46 HD3 ARG 46 8.149 5.087 3.351 327 HE ARG 46 HE ARG 46 8.032 7.364 3.358 328 HH11 ARG 46 HH11 ARG 46 9.802 6.331 6.172 329 HH12 ARG 46 HH12 ARG 46 10.226 7.939 6.656 330 HH21 ARG 46 HH21 ARG 46 8.584 9.486 3.985 331 HH22 ARG 46 HH22 ARG 46 9.532 9.734 5.412 332 H ARG 47 H ARG 47 7.460 0.573 6.148 333 HA ARG 47 HA ARG 47 10.113 -0.342 5.639 334 HB2 ARG 47 HB2 ARG 47 7.803 -1.824 6.908 335 HB3 ARG 47 HB3 ARG 47 9.502 -2.266 7.010 336 HG2 ARG 47 HG2 ARG 47 10.004 -0.537 8.456 337 HG3 ARG 47 HG3 ARG 47 8.597 0.411 7.972 338 HD2 ARG 47 HD2 ARG 47 8.109 -0.413 10.128 339 HD3 ARG 47 HD3 ARG 47 7.180 -1.410 9.010 340 HE ARG 47 HE ARG 47 8.356 -3.216 9.745 341 HH11 ARG 47 HH11 ARG 47 10.188 -0.342 10.455 342 HH12 ARG 47 HH12 ARG 47 11.427 -1.189 11.320 343 HH21 ARG 47 HH21 ARG 47 9.981 -4.342 10.881 344 HH22 ARG 47 HH22 ARG 47 11.309 -3.464 11.561 345 H THR 48 H THR 48 6.918 -1.203 4.440 346 HA THR 48 HA THR 48 7.552 -3.578 3.118 347 HB THR 48 HB THR 48 5.453 -1.485 2.611 348 HG1 THR 48 HG1 THR 48 4.892 -2.768 4.287 349 HG21 THR 48 HG21 THR 48 4.611 -3.631 1.154 350 HG22 THR 48 HG22 THR 48 6.340 -3.625 0.808 351 HG23 THR 48 HG23 THR 48 5.368 -2.192 0.475 352 H ALA 49 H ALA 49 7.309 -0.306 1.707 353 HA ALA 49 HA ALA 49 8.433 -1.072 -0.784 354 HB1 ALA 49 HB1 ALA 49 7.109 0.817 -0.928 355 HB2 ALA 49 HB2 ALA 49 7.809 1.546 0.517 356 HB3 ALA 49 HB3 ALA 49 8.735 1.497 -0.983 357 H CYS 50 H CYS 50 9.766 0.312 2.169 358 HA CYS 50 HA CYS 50 12.307 0.990 1.195 359 HB2 CYS 50 HB2 CYS 50 11.726 1.854 3.312 360 HB3 CYS 50 HB3 CYS 50 11.288 0.265 3.933 361 H ASN 51 H ASN 51 11.170 -1.988 2.772 362 HA ASN 51 HA ASN 51 13.601 -3.368 2.736 363 HB2 ASN 51 HB2 ASN 51 10.726 -4.204 2.854 364 HB3 ASN 51 HB3 ASN 51 11.973 -5.431 2.644 365 HD21 ASN 51 HD21 ASN 51 11.947 -2.435 4.528 366 HD22 ASN 51 HD22 ASN 51 12.254 -3.188 6.053 367 H CYS 52 H CYS 52 11.067 -3.081 0.300 368 HA CYS 52 HA CYS 52 12.141 -5.007 -1.488 369 HB2 CYS 52 HB2 CYS 52 9.765 -3.868 -1.379 370 HB3 CYS 52 HB3 CYS 52 10.509 -2.698 -2.465 371 H LEU 53 H LEU 53 12.205 -1.442 -1.541 372 HA LEU 53 HA LEU 53 13.948 -1.256 -3.759 373 HB2 LEU 53 HB2 LEU 53 12.984 0.610 -1.650 374 HB3 LEU 53 HB3 LEU 53 14.365 1.092 -2.634 375 HG LEU 53 HG LEU 53 11.669 0.324 -3.748 376 HD11 LEU 53 HD11 LEU 53 11.259 2.305 -2.576 377 HD12 LEU 53 HD12 LEU 53 11.581 2.830 -4.228 378 HD13 LEU 53 HD13 LEU 53 12.831 2.985 -2.994 379 HD21 LEU 53 HD21 LEU 53 13.135 0.007 -5.489 380 HD22 LEU 53 HD22 LEU 53 14.254 1.245 -4.917 381 HD23 LEU 53 HD23 LEU 53 12.739 1.715 -5.689 382 H LYS 54 H LYS 54 14.472 -1.712 -0.359 383 HA LYS 54 HA LYS 54 17.153 -0.866 -0.192 384 HB2 LYS 54 HB2 LYS 54 15.349 -2.579 1.430 385 HB3 LYS 54 HB3 LYS 54 17.077 -2.768 1.700 386 HG2 LYS 54 HG2 LYS 54 17.268 -0.381 2.178 387 HG3 LYS 54 HG3 LYS 54 15.535 -0.188 1.902 388 HD2 LYS 54 HD2 LYS 54 16.064 -0.338 4.293 389 HD3 LYS 54 HD3 LYS 54 15.056 -1.687 3.762 390 HE2 LYS 54 HE2 LYS 54 16.886 -3.184 3.784 391 HE3 LYS 54 HE3 LYS 54 18.053 -1.871 3.928 392 HZ1 LYS 54 HZ1 LYS 54 17.013 -3.333 5.982 393 HZ2 LYS 54 HZ2 LYS 54 16.157 -1.876 6.067 394 HZ3 LYS 54 HZ3 LYS 54 17.848 -1.868 6.128 395 H GLN 55 H GLN 55 15.800 -4.137 -0.621 396 HA GLN 55 HA GLN 55 18.175 -5.535 -0.859 397 HB2 GLN 55 HB2 GLN 55 16.190 -6.798 -0.691 398 HB3 GLN 55 HB3 GLN 55 15.455 -5.982 -2.065 399 HG2 GLN 55 HG2 GLN 55 16.114 -8.262 -2.611 400 HG3 GLN 55 HG3 GLN 55 16.996 -7.080 -3.577 401 HE21 GLN 55 HE21 GLN 55 17.531 -9.908 -2.615 402 HE22 GLN 55 HE22 GLN 55 19.126 -9.828 -1.956 403 H THR 56 H THR 56 16.203 -4.193 -3.510 404 HA THR 56 HA THR 56 17.990 -4.838 -5.576 405 HB THR 56 HB THR 56 16.005 -2.557 -5.487 406 HG1 THR 56 HG1 THR 56 14.527 -4.013 -6.097 407 HG21 THR 56 HG21 THR 56 17.070 -2.021 -7.409 408 HG22 THR 56 HG22 THR 56 16.116 -3.349 -8.071 409 HG23 THR 56 HG23 THR 56 17.787 -3.623 -7.580 410 H ALA 57 H ALA 57 17.455 -1.690 -3.979 411 HA ALA 57 HA ALA 57 19.403 -0.207 -5.219 412 HB1 ALA 57 HB1 ALA 57 17.842 0.807 -3.697 413 HB2 ALA 57 HB2 ALA 57 18.526 -0.086 -2.337 414 HB3 ALA 57 HB3 ALA 57 19.482 1.155 -3.148 415 H ASN 58 H ASN 58 19.782 -2.342 -2.411 416 HA ASN 58 HA ASN 58 22.566 -1.790 -2.092 417 HB2 ASN 58 HB2 ASN 58 20.586 -3.636 -0.877 418 HB3 ASN 58 HB3 ASN 58 22.275 -4.126 -0.786 419 HD21 ASN 58 HD21 ASN 58 20.405 -1.128 -0.419 420 HD22 ASN 58 HD22 ASN 58 21.164 -0.638 1.054 421 H ALA 59 H ALA 59 20.785 -3.722 -4.238 422 HA ALA 59 HA ALA 59 22.939 -5.618 -4.718 423 HB1 ALA 59 HB1 ALA 59 20.161 -5.309 -5.808 424 HB2 ALA 59 HB2 ALA 59 21.325 -6.414 -6.540 425 HB3 ALA 59 HB3 ALA 59 20.838 -6.633 -4.859 426 H ILE 60 H ILE 60 21.653 -2.679 -6.046 427 HA ILE 60 HA ILE 60 22.622 -2.804 -8.657 428 HB ILE 60 HB ILE 60 22.549 -0.288 -6.998 429 HG12 ILE 60 HG12 ILE 60 20.419 -1.233 -6.622 430 HG13 ILE 60 HG13 ILE 60 20.178 -0.112 -7.957 431 HG21 ILE 60 HG21 ILE 60 23.575 -0.024 -9.168 432 HG22 ILE 60 HG22 ILE 60 22.205 -0.815 -9.946 433 HG23 ILE 60 HG23 ILE 60 21.992 0.753 -9.168 434 HD11 ILE 60 HD11 ILE 60 20.256 -1.963 -9.534 435 HD12 ILE 60 HD12 ILE 60 20.518 -3.091 -8.203 436 HD13 ILE 60 HD13 ILE 60 18.999 -2.204 -8.321 437 H ALA 61 H ALA 61 24.656 -3.462 -9.056 438 HA ALA 61 HA ALA 61 26.887 -2.685 -7.428 439 HB1 ALA 61 HB1 ALA 61 28.122 -3.751 -9.500 440 HB2 ALA 61 HB2 ALA 61 27.274 -4.752 -8.320 441 HB3 ALA 61 HB3 ALA 61 26.503 -4.356 -9.857 442 H ASP 62 H ASP 62 25.136 -1.012 -9.642 443 HA ASP 62 HA ASP 62 27.460 0.620 -10.432 444 HB2 ASP 62 HB2 ASP 62 24.997 -0.133 -11.985 445 HB3 ASP 62 HB3 ASP 62 25.914 1.316 -12.387 446 H LEU 63 H LEU 63 25.211 0.608 -8.240 447 HA LEU 63 HA LEU 63 23.879 3.116 -8.672 448 HB2 LEU 63 HB2 LEU 63 22.633 1.656 -7.380 449 HB3 LEU 63 HB3 LEU 63 24.029 1.140 -6.437 450 HG LEU 63 HG LEU 63 23.852 3.737 -5.689 451 HD11 LEU 63 HD11 LEU 63 21.891 4.344 -6.805 452 HD12 LEU 63 HD12 LEU 63 21.366 4.001 -5.158 453 HD13 LEU 63 HD13 LEU 63 21.096 2.814 -6.434 454 HD21 LEU 63 HD21 LEU 63 22.247 1.533 -4.411 455 HD22 LEU 63 HD22 LEU 63 22.988 2.927 -3.626 456 HD23 LEU 63 HD23 LEU 63 24.003 1.651 -4.300 457 H ASN 64 H ASN 64 24.798 5.033 -8.427 458 HA ASN 64 HA ASN 64 27.275 5.303 -6.948 459 HB2 ASN 64 HB2 ASN 64 26.522 6.447 -9.223 460 HB3 ASN 64 HB3 ASN 64 25.869 7.659 -8.124 461 HD21 ASN 64 HD21 ASN 64 27.953 8.057 -10.000 462 HD22 ASN 64 HD22 ASN 64 29.381 8.467 -9.118 463 H LEU 65 H LEU 65 26.809 5.141 -4.788 464 HA LEU 65 HA LEU 65 24.703 6.004 -3.331 465 HB2 LEU 65 HB2 LEU 65 27.574 6.373 -2.494 466 HB3 LEU 65 HB3 LEU 65 26.179 6.238 -1.427 467 HG LEU 65 HG LEU 65 27.636 4.117 -2.931 468 HD11 LEU 65 HD11 LEU 65 27.363 2.928 -0.816 469 HD12 LEU 65 HD12 LEU 65 26.417 4.272 -0.177 470 HD13 LEU 65 HD13 LEU 65 28.120 4.503 -0.574 471 HD21 LEU 65 HD21 LEU 65 24.699 4.211 -2.423 472 HD22 LEU 65 HD22 LEU 65 25.554 2.676 -2.259 473 HD23 LEU 65 HD23 LEU 65 25.586 3.545 -3.794 474 H ASN 66 H ASN 66 27.094 8.001 -4.862 475 HA ASN 66 HA ASN 66 26.574 10.388 -3.409 476 HB2 ASN 66 HB2 ASN 66 27.853 9.841 -6.085 477 HB3 ASN 66 HB3 ASN 66 27.663 11.474 -5.454 478 HD21 ASN 66 HD21 ASN 66 29.866 9.219 -5.854 479 HD22 ASN 66 HD22 ASN 66 30.853 9.456 -4.456 480 H ALA 67 H ALA 67 25.488 9.220 -6.590 481 HA ALA 67 HA ALA 67 23.715 11.441 -6.980 482 HB1 ALA 67 HB1 ALA 67 22.905 9.497 -8.751 483 HB2 ALA 67 HB2 ALA 67 24.116 10.742 -9.060 484 HB3 ALA 67 HB3 ALA 67 24.616 9.141 -8.516 485 H ALA 68 H ALA 68 23.352 8.051 -6.028 486 HA ALA 68 HA ALA 68 20.517 8.075 -5.932 487 HB1 ALA 68 HB1 ALA 68 22.395 6.126 -5.824 488 HB2 ALA 68 HB2 ALA 68 21.893 6.204 -4.134 489 HB3 ALA 68 HB3 ALA 68 20.699 5.900 -5.396 490 H ALA 69 H ALA 69 22.899 9.377 -3.880 491 HA ALA 69 HA ALA 69 21.273 9.293 -1.480 492 HB1 ALA 69 HB1 ALA 69 23.161 10.710 -0.555 493 HB2 ALA 69 HB2 ALA 69 23.584 9.078 -1.075 494 HB3 ALA 69 HB3 ALA 69 23.973 10.459 -2.101 495 H GLY 70 H GLY 70 22.437 11.736 -3.784 496 HA2 GLY 70 HA2 GLY 70 20.985 13.860 -2.481 497 HA3 GLY 70 HA3 GLY 70 21.874 13.975 -3.993 498 H LEU 71 H LEU 71 20.529 11.848 -5.344 499 HA LEU 71 HA LEU 71 18.520 13.148 -6.658 500 HB2 LEU 71 HB2 LEU 71 19.102 11.252 -7.757 501 HB3 LEU 71 HB3 LEU 71 19.243 10.308 -6.276 502 HG LEU 71 HG LEU 71 16.632 10.472 -6.271 503 HD11 LEU 71 HD11 LEU 71 16.952 12.018 -8.406 504 HD12 LEU 71 HD12 LEU 71 15.558 10.957 -8.212 505 HD13 LEU 71 HD13 LEU 71 16.914 10.454 -9.221 506 HD21 LEU 71 HD21 LEU 71 16.570 8.331 -7.098 507 HD22 LEU 71 HD22 LEU 71 18.285 8.492 -6.721 508 HD23 LEU 71 HD23 LEU 71 17.727 8.676 -8.384 509 HA PRO 72 HA PRO 72 15.099 11.173 -3.909 510 HB2 PRO 72 HB2 PRO 72 15.876 9.679 -1.780 511 HB3 PRO 72 HB3 PRO 72 15.634 8.999 -3.394 512 HG2 PRO 72 HG2 PRO 72 18.179 9.808 -2.042 513 HG3 PRO 72 HG3 PRO 72 17.838 8.364 -3.013 514 HD2 PRO 72 HD2 PRO 72 19.143 10.517 -4.011 515 HD3 PRO 72 HD3 PRO 72 18.089 9.493 -5.007 516 H ALA 73 H ALA 73 18.031 11.965 -2.069 517 HA ALA 73 HA ALA 73 16.820 13.032 0.204 518 HB1 ALA 73 HB1 ALA 73 19.150 12.585 0.252 519 HB2 ALA 73 HB2 ALA 73 19.454 13.667 -1.108 520 HB3 ALA 73 HB3 ALA 73 18.962 14.328 0.452 521 H LYS 74 H LYS 74 16.751 14.177 -2.968 522 HA LYS 74 HA LYS 74 15.819 16.809 -2.034 523 HB2 LYS 74 HB2 LYS 74 17.664 16.130 -4.294 524 HB3 LYS 74 HB3 LYS 74 16.632 17.550 -4.414 525 HG2 LYS 74 HG2 LYS 74 17.687 18.620 -2.639 526 HG3 LYS 74 HG3 LYS 74 18.384 17.119 -2.025 527 HD2 LYS 74 HD2 LYS 74 20.042 18.595 -3.134 528 HD3 LYS 74 HD3 LYS 74 19.906 17.005 -3.889 529 HE2 LYS 74 HE2 LYS 74 19.953 18.499 -5.688 530 HE3 LYS 74 HE3 LYS 74 18.245 18.113 -5.489 531 HZ1 LYS 74 HZ1 LYS 74 17.896 20.175 -4.360 532 HZ2 LYS 74 HZ2 LYS 74 18.689 20.504 -5.817 533 HZ3 LYS 74 HZ3 LYS 74 19.551 20.528 -4.362 534 H CYS 75 H CYS 75 15.855 14.928 -5.068 535 HA CYS 75 HA CYS 75 13.874 15.644 -6.533 536 HB2 CYS 75 HB2 CYS 75 14.458 12.915 -5.512 537 HB3 CYS 75 HB3 CYS 75 12.946 13.132 -6.387 538 H GLY 76 H GLY 76 13.116 13.927 -3.498 539 HA2 GLY 76 HA2 GLY 76 10.808 15.612 -3.080 540 HA3 GLY 76 HA3 GLY 76 10.409 13.948 -3.480 541 H VAL 77 H VAL 77 12.856 12.969 -2.099 542 HA VAL 77 HA VAL 77 11.678 12.731 0.522 543 HB VAL 77 HB VAL 77 14.346 11.646 -0.375 544 HG11 VAL 77 HG11 VAL 77 12.559 11.233 1.960 545 HG12 VAL 77 HG12 VAL 77 13.435 9.834 1.334 546 HG13 VAL 77 HG13 VAL 77 14.320 11.262 1.871 547 HG21 VAL 77 HG21 VAL 77 13.297 9.703 -1.185 548 HG22 VAL 77 HG22 VAL 77 11.740 10.151 -0.489 549 HG23 VAL 77 HG23 VAL 77 12.376 11.041 -1.872 550 H ASN 78 H ASN 78 12.773 15.350 -0.383 551 HA ASN 78 HA ASN 78 14.973 16.433 0.350 552 HB2 ASN 78 HB2 ASN 78 13.219 17.970 0.242 553 HB3 ASN 78 HB3 ASN 78 12.280 17.133 1.474 554 HD21 ASN 78 HD21 ASN 78 15.672 17.739 1.872 555 HD22 ASN 78 HD22 ASN 78 15.521 18.948 3.097 556 H ILE 79 H ILE 79 12.857 15.178 2.929 557 HA ILE 79 HA ILE 79 14.047 15.568 5.219 558 HB ILE 79 HB ILE 79 13.507 12.741 4.302 559 HG12 ILE 79 HG12 ILE 79 11.444 13.994 5.910 560 HG13 ILE 79 HG13 ILE 79 11.736 14.904 4.431 561 HG21 ILE 79 HG21 ILE 79 13.319 13.849 7.091 562 HG22 ILE 79 HG22 ILE 79 13.288 12.162 6.581 563 HG23 ILE 79 HG23 ILE 79 14.781 13.092 6.460 564 HD11 ILE 79 HD11 ILE 79 9.986 13.313 4.056 565 HD12 ILE 79 HD12 ILE 79 11.413 12.819 3.144 566 HD13 ILE 79 HD13 ILE 79 10.999 11.997 4.648 567 HA PRO 80 HA PRO 80 18.366 14.702 4.928 568 HB2 PRO 80 HB2 PRO 80 18.924 14.665 7.585 569 HB3 PRO 80 HB3 PRO 80 18.612 16.157 6.689 570 HG2 PRO 80 HG2 PRO 80 16.763 14.571 8.428 571 HG3 PRO 80 HG3 PRO 80 16.984 16.328 8.340 572 HD2 PRO 80 HD2 PRO 80 14.925 15.056 7.126 573 HD3 PRO 80 HD3 PRO 80 15.665 16.526 6.460 574 H TYR 81 H TYR 81 17.888 12.519 4.082 575 HA TYR 81 HA TYR 81 18.618 10.476 6.062 576 HB2 TYR 81 HB2 TYR 81 16.298 10.454 4.171 577 HB3 TYR 81 HB3 TYR 81 17.092 8.936 4.572 578 HD1 TYR 81 HD1 TYR 81 17.741 9.280 7.402 579 HD2 TYR 81 HD2 TYR 81 14.246 10.412 5.257 580 HE1 TYR 81 HE1 TYR 81 16.429 9.137 9.478 581 HE2 TYR 81 HE2 TYR 81 12.924 10.274 7.327 582 HH TYR 81 HH TYR 81 13.844 10.477 10.115 583 H LYS 82 H LYS 82 19.706 8.632 5.189 584 HA LYS 82 HA LYS 82 21.296 9.308 2.846 585 HB2 LYS 82 HB2 LYS 82 21.727 7.831 5.266 586 HB3 LYS 82 HB3 LYS 82 22.059 6.787 3.889 587 HG2 LYS 82 HG2 LYS 82 23.290 9.488 4.402 588 HG3 LYS 82 HG3 LYS 82 24.072 7.922 4.631 589 HD2 LYS 82 HD2 LYS 82 24.311 7.560 2.380 590 HD3 LYS 82 HD3 LYS 82 22.907 8.545 1.963 591 HE2 LYS 82 HE2 LYS 82 25.281 9.873 3.176 592 HE3 LYS 82 HE3 LYS 82 25.362 9.380 1.486 593 HZ1 LYS 82 HZ1 LYS 82 23.035 10.596 1.455 594 HZ2 LYS 82 HZ2 LYS 82 24.484 11.437 1.229 595 HZ3 LYS 82 HZ3 LYS 82 23.728 11.447 2.742 596 H ILE 83 H ILE 83 22.006 6.828 1.903 597 HA ILE 83 HA ILE 83 19.571 6.064 0.490 598 HB ILE 83 HB ILE 83 21.943 6.543 -0.555 599 HG12 ILE 83 HG12 ILE 83 21.302 5.266 -2.486 600 HG13 ILE 83 HG13 ILE 83 20.345 4.161 -1.506 601 HG21 ILE 83 HG21 ILE 83 22.938 4.170 -1.019 602 HG22 ILE 83 HG22 ILE 83 23.368 5.045 0.450 603 HG23 ILE 83 HG23 ILE 83 22.156 3.765 0.509 604 HD11 ILE 83 HD11 ILE 83 19.629 7.040 -1.481 605 HD12 ILE 83 HD12 ILE 83 19.228 6.080 -2.905 606 HD13 ILE 83 HD13 ILE 83 18.603 5.615 -1.323 607 H SER 84 H SER 84 19.412 3.664 -0.086 608 HA SER 84 HA SER 84 18.890 2.186 2.205 609 HB2 SER 84 HB2 SER 84 19.363 0.288 0.204 610 HB3 SER 84 HB3 SER 84 17.817 1.035 0.605 611 HG SER 84 HG SER 84 17.915 1.868 -1.312 612 HA PRO 85 HA PRO 85 22.960 -0.305 1.551 613 HB2 PRO 85 HB2 PRO 85 24.657 0.522 -0.400 614 HB3 PRO 85 HB3 PRO 85 23.352 -0.635 -0.689 615 HG2 PRO 85 HG2 PRO 85 23.432 2.306 -1.242 616 HG3 PRO 85 HG3 PRO 85 22.803 0.993 -2.256 617 HD2 PRO 85 HD2 PRO 85 21.195 2.580 -0.764 618 HD3 PRO 85 HD3 PRO 85 20.817 0.877 -1.092 619 H SER 86 H SER 86 22.433 2.365 2.763 620 HA SER 86 HA SER 86 25.195 2.942 3.525 621 HB2 SER 86 HB2 SER 86 24.805 5.382 3.365 622 HB3 SER 86 HB3 SER 86 24.701 4.592 1.792 623 HG SER 86 HG SER 86 22.363 4.920 3.301 624 H THR 87 H THR 87 21.751 3.320 4.126 625 HA THR 87 HA THR 87 22.327 3.394 7.006 626 HB THR 87 HB THR 87 21.816 5.685 6.435 627 HG1 THR 87 HG1 THR 87 19.366 4.792 7.488 628 HG21 THR 87 HG21 THR 87 20.670 5.470 4.355 629 HG22 THR 87 HG22 THR 87 19.547 6.232 5.483 630 HG23 THR 87 HG23 THR 87 19.381 4.520 5.093 631 H ASP 88 H ASP 88 20.306 2.931 8.307 632 HA ASP 88 HA ASP 88 18.759 0.829 6.946 633 HB2 ASP 88 HB2 ASP 88 20.300 0.258 8.931 634 HB3 ASP 88 HB3 ASP 88 19.088 1.058 9.929 635 H CYS 89 H CYS 89 16.605 0.991 6.824 636 HA CYS 89 HA CYS 89 15.260 3.370 7.316 637 HB2 CYS 89 HB2 CYS 89 14.430 0.574 6.715 638 HB3 CYS 89 HB3 CYS 89 13.192 1.682 7.298 639 H ASN 90 H ASN 90 16.219 0.979 9.519 640 HA ASN 90 HA ASN 90 14.297 0.827 11.440 641 HB2 ASN 90 HB2 ASN 90 16.748 -0.087 11.384 642 HB3 ASN 90 HB3 ASN 90 17.120 1.376 12.291 643 HD21 ASN 90 HD21 ASN 90 17.757 -0.065 13.992 644 HD22 ASN 90 HD22 ASN 90 16.561 -0.738 15.042 645 H ARG 91 H ARG 91 16.016 3.637 10.463 646 HA ARG 91 HA ARG 91 15.063 5.125 12.812 647 HB2 ARG 91 HB2 ARG 91 17.324 5.498 10.907 648 HB3 ARG 91 HB3 ARG 91 16.598 6.934 11.614 649 HG2 ARG 91 HG2 ARG 91 17.517 4.642 13.312 650 HG3 ARG 91 HG3 ARG 91 18.620 5.916 12.787 651 HD2 ARG 91 HD2 ARG 91 16.033 6.675 14.057 652 HD3 ARG 91 HD3 ARG 91 17.343 6.085 15.079 653 HE ARG 91 HE ARG 91 18.413 8.044 13.430 654 HH11 ARG 91 HH11 ARG 91 16.015 7.793 15.941 655 HH12 ARG 91 HH12 ARG 91 16.237 9.419 16.496 656 HH21 ARG 91 HH21 ARG 91 18.714 10.187 14.151 657 HH22 ARG 91 HH22 ARG 91 17.772 10.780 15.476 658 H VAL 92 H VAL 92 14.851 4.896 9.332 659 HA VAL 92 HA VAL 92 13.301 7.325 9.072 660 HB VAL 92 HB VAL 92 13.838 5.164 7.029 661 HG11 VAL 92 HG11 VAL 92 13.399 7.434 5.624 662 HG12 VAL 92 HG12 VAL 92 12.157 6.230 5.975 663 HG13 VAL 92 HG13 VAL 92 12.300 7.671 6.982 664 HG21 VAL 92 HG21 VAL 92 15.210 7.604 6.501 665 HG22 VAL 92 HG22 VAL 92 15.579 7.096 8.150 666 HG23 VAL 92 HG23 VAL 92 15.883 6.001 6.801 667 H VAL 93 H VAL 93 12.413 4.864 10.664 668 HA VAL 93 HA VAL 93 10.407 3.389 9.696 669 HB VAL 93 HB VAL 93 9.224 3.563 11.823 670 HG11 VAL 93 HG11 VAL 93 11.728 2.614 11.458 671 HG12 VAL 93 HG12 VAL 93 11.997 3.741 12.790 672 HG13 VAL 93 HG13 VAL 93 10.815 2.442 12.957 673 HG21 VAL 93 HG21 VAL 93 9.160 5.456 12.981 674 HG22 VAL 93 HG22 VAL 93 10.904 5.382 13.234 675 HG23 VAL 93 HG23 VAL 93 10.254 6.198 11.813
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