NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
606006 | 5l3n | 34002 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1H ALA 1 1.688 -0.478 0.591 2 H2 ALA 1 2H ALA 1 1.209 -1.861 -0.173 3 H3 ALA 1 3H ALA 1 2.714 -1.763 0.496 4 HA ALA 1 HA ALA 1 2.886 -1.556 -1.879 5 HB1 ALA 1 1HB ALA 1 0.589 -0.648 -2.264 6 HB2 ALA 1 2HB ALA 1 1.066 0.882 -1.482 7 HB3 ALA 1 3HB ALA 1 1.824 0.389 -3.014 8 H TYR 2 H TYR 2 4.439 -0.020 -2.881 9 HA TYR 2 HA TYR 2 6.330 0.934 -0.972 10 HB2 TYR 2 1HB TYR 2 6.967 0.290 -3.243 11 HB3 TYR 2 2HB TYR 2 5.953 1.571 -3.925 12 HD1 TYR 2 HD1 TYR 2 6.791 3.811 -4.175 13 HD2 TYR 2 HD2 TYR 2 9.001 0.961 -1.817 14 HE1 TYR 2 HE1 TYR 2 8.710 5.404 -4.029 15 HE2 TYR 2 HE2 TYR 2 10.904 2.562 -1.682 16 HH TYR 2 HH TYR 2 10.817 5.786 -3.182 17 H ARG 3 H ARG 3 6.807 2.958 -0.195 18 HA ARG 3 HA ARG 3 4.971 5.181 -0.967 19 HB2 ARG 3 1HB ARG 3 6.127 4.529 1.765 20 HB3 ARG 3 2HB ARG 3 5.350 6.060 1.346 21 HG2 ARG 3 1HG ARG 3 3.235 4.952 0.959 22 HG3 ARG 3 2HG ARG 3 3.981 3.357 1.183 23 HD2 ARG 3 1HD ARG 3 2.801 4.014 3.210 24 HD3 ARG 3 2HD ARG 3 4.543 3.927 3.501 25 HE ARG 3 HE ARG 3 4.624 6.214 3.880 26 HH11 ARG 3 1HH1 ARG 3 1.402 5.418 2.650 27 HH12 ARG 3 2HH1 ARG 3 0.766 6.993 3.041 28 HH21 ARG 3 1HH2 ARG 3 3.734 8.188 4.354 29 HH22 ARG 3 2HH2 ARG 3 2.065 8.530 3.989 30 HA PRO 4 HA PRO 4 8.937 6.882 -2.000 31 HB2 PRO 4 1HB PRO 4 8.414 9.574 -1.978 32 HB3 PRO 4 2HB PRO 4 7.803 8.482 -3.263 33 HG2 PRO 4 1HG PRO 4 6.377 9.456 -0.787 34 HG3 PRO 4 2HG PRO 4 5.820 9.484 -2.493 35 HD2 PRO 4 1HD PRO 4 5.060 7.513 -0.804 36 HD3 PRO 4 2HD PRO 4 5.439 7.159 -2.522 37 H SER 5 H SER 5 7.172 7.818 0.868 38 HA SER 5 HA SER 5 9.744 8.416 2.258 39 HB2 SER 5 1HB SER 5 6.947 9.356 3.000 40 HB3 SER 5 2HB SER 5 8.475 9.814 3.786 41 HG SER 5 HG SER 5 9.099 10.768 1.787 42 H GLU 6 H GLU 6 9.670 5.951 2.140 43 HA GLU 6 HA GLU 6 7.867 4.741 4.170 44 HB2 GLU 6 1HB GLU 6 8.709 2.611 3.385 45 HB3 GLU 6 2HB GLU 6 8.166 3.588 2.021 46 HG2 GLU 6 1HG GLU 6 10.531 4.176 1.518 47 HG3 GLU 6 2HG GLU 6 11.049 3.139 2.856 48 H THR 7 H THR 7 10.566 6.510 4.296 49 HA THR 7 HA THR 7 11.591 5.088 6.701 50 HB THR 7 HB THR 7 13.871 6.101 6.060 51 HG1 THR 7 HG1 THR 7 14.136 6.679 3.929 52 HG21 THR 7 1HG2 THR 7 14.482 4.281 4.548 53 HG22 THR 7 2HG2 THR 7 12.766 3.964 4.205 54 HG23 THR 7 3HG2 THR 7 13.416 3.693 5.838 55 H LEU 8 H LEU 8 12.341 6.500 8.314 56 HA LEU 8 HA LEU 8 11.868 9.427 7.921 57 HB2 LEU 8 1HB LEU 8 10.936 7.789 10.268 58 HB3 LEU 8 2HB LEU 8 10.836 9.534 10.147 59 HG LEU 8 HG LEU 8 9.386 7.602 8.430 60 HD11 LEU 8 1HD1 LEU 8 8.643 7.365 10.645 61 HD12 LEU 8 2HD1 LEU 8 7.413 8.165 9.657 62 HD13 LEU 8 3HD1 LEU 8 8.410 9.123 10.765 63 HD21 LEU 8 1HD2 LEU 8 8.099 9.522 7.652 64 HD22 LEU 8 2HD2 LEU 8 9.820 9.943 7.493 65 HD23 LEU 8 3HD2 LEU 8 8.872 10.565 8.868 66 H CYS 9 H CYS 9 13.085 10.679 9.314 67 HA CYS 9 HA CYS 9 14.649 9.317 11.404 68 HB2 CYS 9 1HB CYS 9 15.813 9.464 8.925 69 HB3 CYS 9 2HB CYS 9 16.413 10.944 9.685 70 H GLY 10 H GLY 10 15.803 10.806 12.821 71 HA2 GLY 10 1HA GLY 10 15.869 12.743 14.079 72 HA3 GLY 10 2HA GLY 10 15.707 13.609 12.542 73 H GLY 11 H GLY 11 14.272 15.166 12.947 74 HA2 GLY 11 1HA GLY 11 12.057 14.905 14.712 75 HA3 GLY 11 2HA GLY 11 12.291 16.175 13.507 76 H GLU 12 H GLU 12 12.373 13.905 11.348 77 HA GLU 12 HA GLU 12 9.579 14.085 10.655 78 HB2 GLU 12 1HB GLU 12 11.627 12.031 9.755 79 HB3 GLU 12 2HB GLU 12 10.120 12.413 8.937 80 HG2 GLU 12 1HG GLU 12 10.940 14.575 8.287 81 HG3 GLU 12 2HG GLU 12 12.394 14.376 9.279 82 H LEU 13 H LEU 13 11.638 11.653 12.214 83 HA LEU 13 HA LEU 13 9.626 9.605 12.240 84 HB2 LEU 13 1HB LEU 13 12.097 9.260 12.363 85 HB3 LEU 13 2HB LEU 13 12.089 9.913 13.993 86 HG LEU 13 HG LEU 13 10.950 8.017 14.860 87 HD11 LEU 13 1HD1 LEU 13 10.160 6.129 13.429 88 HD12 LEU 13 2HD1 LEU 13 10.456 7.105 11.980 89 HD13 LEU 13 3HD1 LEU 13 9.243 7.613 13.169 90 HD21 LEU 13 1HD2 LEU 13 13.025 7.198 12.777 91 HD22 LEU 13 2HD2 LEU 13 12.473 6.159 14.107 92 HD23 LEU 13 3HD2 LEU 13 13.321 7.675 14.472 93 H VAL 14 H VAL 14 10.779 12.043 14.572 94 HA VAL 14 HA VAL 14 9.079 11.295 16.740 95 HB VAL 14 HB VAL 14 10.275 13.993 15.944 96 HG11 VAL 14 1HG1 VAL 14 8.384 14.588 17.322 97 HG12 VAL 14 2HG1 VAL 14 8.689 13.249 18.440 98 HG13 VAL 14 3HG1 VAL 14 9.797 14.634 18.386 99 HG21 VAL 14 1HG2 VAL 14 11.869 13.521 17.762 100 HG22 VAL 14 2HG2 VAL 14 11.036 11.989 18.113 101 HG23 VAL 14 3HG2 VAL 14 11.892 12.209 16.565 102 H ASP 15 H ASP 15 8.559 13.609 14.015 103 HA ASP 15 HA ASP 15 6.018 14.454 14.952 104 HB2 ASP 15 1HB ASP 15 7.386 15.592 13.201 105 HB3 ASP 15 2HB ASP 15 6.949 14.294 12.077 106 H THR 16 H THR 16 6.906 11.681 12.887 107 HA THR 16 HA THR 16 4.146 11.030 12.334 108 HB THR 16 HB THR 16 6.577 9.214 12.341 109 HG1 THR 16 HG1 THR 16 6.886 10.989 10.972 110 HG21 THR 16 1HG2 THR 16 5.262 7.986 10.635 111 HG22 THR 16 2HG2 THR 16 3.880 9.059 10.949 112 HG23 THR 16 3HG2 THR 16 4.483 7.977 12.228 113 H LEU 17 H LEU 17 6.450 10.091 14.921 114 HA LEU 17 HA LEU 17 4.691 8.161 16.141 115 HB2 LEU 17 1HB LEU 17 7.024 9.804 17.120 116 HB3 LEU 17 2HB LEU 17 6.100 8.783 18.223 117 HG LEU 17 HG LEU 17 7.092 7.551 15.683 118 HD11 LEU 17 1HD1 LEU 17 9.031 8.767 16.493 119 HD12 LEU 17 2HD1 LEU 17 9.235 7.017 16.641 120 HD13 LEU 17 3HD1 LEU 17 8.861 7.991 18.085 121 HD21 LEU 17 1HD2 LEU 17 6.934 6.498 18.536 122 HD22 LEU 17 2HD2 LEU 17 7.236 5.552 17.059 123 HD23 LEU 17 3HD2 LEU 17 5.653 6.308 17.319 124 H GLN 18 H GLN 18 5.064 11.687 16.484 125 HA GLN 18 HA GLN 18 3.137 11.989 18.610 126 HB2 GLN 18 1HB GLN 18 4.096 13.866 16.423 127 HB3 GLN 18 2HB GLN 18 2.987 14.357 17.704 128 HG2 GLN 18 1HG GLN 18 4.629 14.000 19.394 129 HG3 GLN 18 2HG GLN 18 5.722 13.204 18.264 130 HE21 GLN 18 1HE2 GLN 18 6.155 17.052 18.853 131 HE22 GLN 18 2HE2 GLN 18 5.271 15.962 19.899 132 H PHE 19 H PHE 19 2.847 11.549 15.104 133 HA PHE 19 HA PHE 19 0.074 12.418 15.081 134 HB2 PHE 19 1HB PHE 19 1.665 12.500 13.125 135 HB3 PHE 19 2HB PHE 19 1.530 10.743 13.013 136 HD1 PHE 19 HD1 PHE 19 -0.278 13.958 12.664 137 HD2 PHE 19 HD2 PHE 19 -0.478 9.693 12.122 138 HE1 PHE 19 HE1 PHE 19 -2.343 14.236 11.297 139 HE2 PHE 19 HE2 PHE 19 -2.544 9.958 10.753 140 HZ PHE 19 HZ PHE 19 -3.481 12.236 10.338 141 H VAL 20 H VAL 20 1.697 9.166 14.984 142 HA VAL 20 HA VAL 20 -0.875 7.847 14.862 143 HB VAL 20 HB VAL 20 0.278 5.746 15.032 144 HG11 VAL 20 1HG1 VAL 20 0.476 6.981 12.891 145 HG12 VAL 20 2HG1 VAL 20 2.028 7.646 13.448 146 HG13 VAL 20 3HG1 VAL 20 1.856 5.895 13.197 147 HG21 VAL 20 1HG2 VAL 20 2.660 5.583 15.460 148 HG22 VAL 20 2HG2 VAL 20 2.701 7.311 15.875 149 HG23 VAL 20 3HG2 VAL 20 1.755 6.163 16.844 150 H CYS 21 H CYS 21 1.282 8.778 17.524 151 HA CYS 21 HA CYS 21 -0.401 7.233 19.446 152 HB2 CYS 21 1HB CYS 21 2.161 8.784 19.942 153 HB3 CYS 21 2HB CYS 21 1.374 7.662 21.053 154 H GLY 22 H GLY 22 0.074 10.475 18.337 155 HA2 GLY 22 1HA GLY 22 -0.881 12.455 19.124 156 HA3 GLY 22 2HA GLY 22 -1.546 11.589 20.531 157 H ASP 23 H ASP 23 -0.276 14.011 20.966 158 HA ASP 23 HA ASP 23 2.517 13.661 21.653 159 HB2 ASP 23 1HB ASP 23 0.410 15.722 22.324 160 HB3 ASP 23 2HB ASP 23 2.033 15.785 23.030 161 H ARG 24 H ARG 24 -0.102 12.195 22.869 162 HA ARG 24 HA ARG 24 0.057 12.393 25.691 163 HB2 ARG 24 1HB ARG 24 -0.713 10.056 23.923 164 HB3 ARG 24 2HB ARG 24 -1.023 10.147 25.662 165 HG2 ARG 24 1HG ARG 24 -2.492 12.059 25.365 166 HG3 ARG 24 2HG ARG 24 -2.103 12.147 23.639 167 HD2 ARG 24 1HD ARG 24 -3.469 9.794 24.985 168 HD3 ARG 24 2HD ARG 24 -4.291 11.085 24.083 169 HE ARG 24 HE ARG 24 -2.164 9.793 22.562 170 HH11 ARG 24 1HH1 ARG 24 -5.596 9.560 23.395 171 HH12 ARG 24 2HH1 ARG 24 -5.961 8.597 21.987 172 HH21 ARG 24 1HH2 ARG 24 -2.702 8.572 20.819 173 HH22 ARG 24 2HH2 ARG 24 -4.349 8.050 20.545 174 H GLY 25 H GLY 25 2.088 10.686 23.383 175 HA2 GLY 25 1HA GLY 25 4.382 10.556 24.485 176 HA3 GLY 25 2HA GLY 25 3.600 9.537 25.689 177 H PHE 26 H PHE 26 5.866 8.990 23.996 178 HA PHE 26 HA PHE 26 5.024 6.357 23.058 179 HB2 PHE 26 1HB PHE 26 6.063 6.673 20.813 180 HB3 PHE 26 2HB PHE 26 4.592 7.621 21.035 181 HD1 PHE 26 HD1 PHE 26 8.289 7.825 20.821 182 HD2 PHE 26 HD2 PHE 26 4.600 10.021 21.020 183 HE1 PHE 26 HE1 PHE 26 9.509 9.904 20.210 184 HE2 PHE 26 HE2 PHE 26 5.811 12.109 20.412 185 HZ PHE 26 HZ PHE 26 8.276 12.050 20.016 186 H TYR 27 H TYR 27 6.937 5.079 22.477 187 HA TYR 27 HA TYR 27 9.312 5.918 24.077 188 HB2 TYR 27 1HB TYR 27 8.492 3.255 22.843 189 HB3 TYR 27 2HB TYR 27 9.961 3.534 23.780 190 HD1 TYR 27 HD1 TYR 27 9.698 4.317 26.241 191 HD2 TYR 27 HD2 TYR 27 6.455 2.672 23.932 192 HE1 TYR 27 HE1 TYR 27 8.446 3.798 28.345 193 HE2 TYR 27 HE2 TYR 27 5.228 2.149 26.032 194 HH TYR 27 HH TYR 27 6.505 2.963 29.255 195 H PHE 28 H PHE 28 11.464 5.438 23.000 196 HA PHE 28 HA PHE 28 11.238 5.705 20.026 197 HB2 PHE 28 1HB PHE 28 12.187 7.647 21.706 198 HB3 PHE 28 2HB PHE 28 13.669 6.727 21.432 199 HD1 PHE 28 HD1 PHE 28 14.986 7.287 19.564 200 HD2 PHE 28 HD2 PHE 28 10.791 8.242 19.529 201 HE1 PHE 28 HE1 PHE 28 15.285 8.523 17.424 202 HE2 PHE 28 HE2 PHE 28 11.085 9.467 17.379 203 HZ PHE 28 HZ PHE 28 13.330 9.609 16.322 204 H ASN 29 H ASN 29 13.217 4.789 22.842 205 HA ASN 29 HA ASN 29 14.036 2.337 21.361 206 HB2 ASN 29 1HB ASN 29 15.660 4.030 23.297 207 HB3 ASN 29 2HB ASN 29 16.183 2.540 22.551 208 HD21 ASN 29 1HD2 ASN 29 17.453 5.621 20.745 209 HD22 ASN 29 2HD2 ASN 29 17.388 5.186 22.433 210 H ARG 30 H ARG 30 11.922 3.039 23.331 211 HA ARG 30 HA ARG 30 11.013 2.194 25.288 212 HB2 ARG 30 1HB ARG 30 12.219 -0.409 24.361 213 HB3 ARG 30 2HB ARG 30 10.661 -0.071 25.077 214 HG2 ARG 30 1HG ARG 30 10.434 1.391 22.844 215 HG3 ARG 30 2HG ARG 30 11.547 0.130 22.295 216 HD2 ARG 30 1HD ARG 30 8.775 -0.234 23.508 217 HD3 ARG 30 2HD ARG 30 9.230 -0.501 21.816 218 HE ARG 30 HE ARG 30 10.841 -2.158 23.475 219 HH11 ARG 30 1HH1 ARG 30 7.479 -1.915 22.398 220 HH12 ARG 30 2HH1 ARG 30 7.191 -3.619 22.621 221 HH21 ARG 30 1HH2 ARG 30 10.390 -4.326 23.728 222 HH22 ARG 30 2HH2 ARG 30 8.812 -4.956 23.343 223 HA PRO 31 HA PRO 31 15.227 1.422 27.057 224 HB2 PRO 31 1HB PRO 31 15.827 3.667 28.525 225 HB3 PRO 31 2HB PRO 31 16.038 3.556 26.767 226 HG2 PRO 31 1HG PRO 31 13.729 4.745 28.248 227 HG3 PRO 31 2HG PRO 31 14.724 5.473 26.945 228 HD2 PRO 31 1HD PRO 31 12.363 4.266 26.399 229 HD3 PRO 31 2HD PRO 31 13.767 4.107 25.289 230 H ALA 32 H ALA 32 12.648 2.980 28.740 231 HA ALA 32 HA ALA 32 11.722 2.831 30.831 232 HB1 ALA 32 1HB ALA 32 12.726 -0.046 30.711 233 HB2 ALA 32 2HB ALA 32 11.413 0.575 31.738 234 HB3 ALA 32 3HB ALA 32 11.219 0.545 29.970 235 H SER 33 H SER 33 14.491 3.741 30.705 236 HA SER 33 HA SER 33 15.174 3.437 33.551 237 HB2 SER 33 1HB SER 33 17.545 2.884 32.972 238 HB3 SER 33 2HB SER 33 16.415 1.586 32.536 239 HG SER 33 HG SER 33 16.652 2.015 30.453 240 H ARG 34 H ARG 34 16.787 5.059 34.161 241 HA ARG 34 HA ARG 34 17.044 7.322 32.239 242 HB2 ARG 34 1HB ARG 34 16.226 8.886 33.941 243 HB3 ARG 34 2HB ARG 34 14.993 7.700 33.511 244 HG2 ARG 34 1HG ARG 34 15.527 6.413 35.582 245 HG3 ARG 34 2HG ARG 34 16.695 7.671 36.036 246 HD2 ARG 34 1HD ARG 34 14.889 9.344 36.027 247 HD3 ARG 34 2HD ARG 34 13.727 8.085 35.560 248 HE ARG 34 HE ARG 34 15.083 7.293 37.946 249 HH11 ARG 34 1HH1 ARG 34 12.631 9.615 36.909 250 HH12 ARG 34 2HH1 ARG 34 11.858 9.635 38.471 251 HH21 ARG 34 1HH2 ARG 34 14.051 7.388 39.918 252 HH22 ARG 34 2HH2 ARG 34 12.652 8.400 40.138 253 H VAL 35 H VAL 35 18.865 5.278 33.545 254 HA VAL 35 HA VAL 35 20.310 6.625 35.618 255 HB VAL 35 HB VAL 35 22.019 4.842 35.331 256 HG11 VAL 35 1HG1 VAL 35 20.589 2.964 35.938 257 HG12 VAL 35 2HG1 VAL 35 19.943 4.453 36.656 258 HG13 VAL 35 3HG1 VAL 35 19.173 3.752 35.211 259 HG21 VAL 35 1HG2 VAL 35 21.994 4.570 32.877 260 HG22 VAL 35 2HG2 VAL 35 21.654 3.021 33.666 261 HG23 VAL 35 3HG2 VAL 35 20.327 3.947 32.935 262 H SER 36 H SER 36 20.800 6.526 32.089 263 HA SER 36 HA SER 36 22.424 8.900 32.219 264 HB2 SER 36 1HB SER 36 24.533 8.065 31.529 265 HB3 SER 36 2HB SER 36 24.068 6.993 32.863 266 HG SER 36 HG SER 36 23.812 5.380 31.489 267 H ARG 37 H ARG 37 23.470 9.098 29.843 268 HA ARG 37 HA ARG 37 21.600 7.852 27.860 269 HB2 ARG 37 1HB ARG 37 22.707 10.684 27.915 270 HB3 ARG 37 2HB ARG 37 22.009 9.937 26.470 271 HG2 ARG 37 1HG ARG 37 19.881 9.594 27.626 272 HG3 ARG 37 2HG ARG 37 20.531 10.339 29.096 273 HD2 ARG 37 1HD ARG 37 20.472 11.792 26.434 274 HD3 ARG 37 2HD ARG 37 19.088 11.793 27.546 275 HE ARG 37 HE ARG 37 21.376 12.533 29.026 276 HH11 ARG 37 1HH1 ARG 37 19.360 13.888 26.463 277 HH12 ARG 37 2HH1 ARG 37 19.687 15.529 26.950 278 HH21 ARG 37 1HH2 ARG 37 21.747 14.654 29.585 279 HH22 ARG 37 2HH2 ARG 37 21.016 15.950 28.681 280 H ARG 38 H ARG 38 24.149 6.970 29.019 281 HA ARG 38 HA ARG 38 26.059 7.254 26.743 282 HB2 ARG 38 1HB ARG 38 26.237 5.915 29.472 283 HB3 ARG 38 2HB ARG 38 27.512 5.819 28.256 284 HG2 ARG 38 1HG ARG 38 26.506 8.447 29.381 285 HG3 ARG 38 2HG ARG 38 27.863 7.530 30.065 286 HD2 ARG 38 1HD ARG 38 28.971 7.595 27.804 287 HD3 ARG 38 2HD ARG 38 27.685 8.688 27.255 288 HE ARG 38 HE ARG 38 28.851 9.725 29.644 289 HH11 ARG 38 1HH1 ARG 38 29.714 9.267 26.248 290 HH12 ARG 38 2HH1 ARG 38 30.838 10.599 26.261 291 HH21 ARG 38 1HH2 ARG 38 30.305 11.413 29.577 292 HH22 ARG 38 2HH2 ARG 38 31.163 11.786 28.109 293 H SER 39 H SER 39 23.388 5.506 27.377 294 HA SER 39 HA SER 39 24.467 3.005 26.156 295 HB2 SER 39 1HB SER 39 22.013 3.343 27.912 296 HB3 SER 39 2HB SER 39 22.708 1.815 27.324 297 HG SER 39 HG SER 39 24.544 2.230 28.574 298 HA PRO 40 HA PRO 40 21.483 4.726 23.121 299 HB2 PRO 40 1HB PRO 40 22.829 4.173 20.830 300 HB3 PRO 40 2HB PRO 40 23.300 5.537 21.892 301 HG2 PRO 40 1HG PRO 40 24.457 2.762 21.767 302 HG3 PRO 40 2HG PRO 40 25.305 4.339 21.712 303 HD2 PRO 40 1HD PRO 40 25.041 2.883 24.006 304 HD3 PRO 40 2HD PRO 40 25.065 4.680 24.000 305 H GLN 41 H GLN 41 20.333 2.809 24.146 306 HA GLN 41 HA GLN 41 20.474 0.192 23.019 307 HB2 GLN 41 1HB GLN 41 19.401 0.906 25.181 308 HB3 GLN 41 2HB GLN 41 18.075 1.606 24.246 309 HG2 GLN 41 1HG GLN 41 17.435 -0.587 23.419 310 HG3 GLN 41 2HG GLN 41 18.864 -1.326 24.163 311 HE21 GLN 41 1HE2 GLN 41 16.266 -2.119 26.542 312 HE22 GLN 41 2HE2 GLN 41 16.872 -2.632 24.987 313 H ARG 42 H ARG 42 19.366 -0.779 21.332 314 HA ARG 42 HA ARG 42 18.677 0.864 19.105 315 HB2 ARG 42 1HB ARG 42 18.048 -1.176 17.996 316 HB3 ARG 42 2HB ARG 42 19.507 -1.480 18.943 317 HG2 ARG 42 1HG ARG 42 18.138 -2.591 20.685 318 HG3 ARG 42 2HG ARG 42 16.675 -2.267 19.731 319 HD2 ARG 42 1HD ARG 42 17.682 -3.557 17.840 320 HD3 ARG 42 2HD ARG 42 19.038 -3.984 18.905 321 HE ARG 42 HE ARG 42 16.609 -4.662 20.214 322 HH11 ARG 42 1HH1 ARG 42 18.492 -5.752 17.434 323 HH12 ARG 42 2HH1 ARG 42 17.889 -7.384 17.548 324 HH21 ARG 42 1HH2 ARG 42 15.863 -6.759 20.280 325 HH22 ARG 42 2HH2 ARG 42 16.421 -7.937 19.126 326 H GLY 43 H GLY 43 16.635 0.993 17.965 327 HA2 GLY 43 1HA GLY 43 14.172 0.287 19.269 328 HA3 GLY 43 2HA GLY 43 14.562 1.991 19.497 329 H ILE 44 H ILE 44 12.838 2.743 18.366 330 HA ILE 44 HA ILE 44 11.872 1.834 15.907 331 HB ILE 44 HB ILE 44 10.769 3.486 17.500 332 HG12 ILE 44 1HG1 ILE 44 9.910 5.076 15.666 333 HG13 ILE 44 2HG1 ILE 44 10.951 4.201 14.560 334 HG21 ILE 44 1HG2 ILE 44 12.818 4.964 17.810 335 HG22 ILE 44 2HG2 ILE 44 12.558 5.599 16.184 336 HG23 ILE 44 3HG2 ILE 44 11.331 5.862 17.442 337 HD11 ILE 44 1HD1 ILE 44 8.629 3.071 16.149 338 HD12 ILE 44 2HD1 ILE 44 8.701 3.338 14.398 339 HD13 ILE 44 3HD1 ILE 44 9.726 2.090 15.143 340 H VAL 45 H VAL 45 14.613 4.042 16.449 341 HA VAL 45 HA VAL 45 14.757 5.093 13.824 342 HB VAL 45 HB VAL 45 17.154 4.386 15.543 343 HG11 VAL 45 1HG1 VAL 45 18.185 6.360 14.472 344 HG12 VAL 45 2HG1 VAL 45 17.620 5.235 13.228 345 HG13 VAL 45 3HG1 VAL 45 16.672 6.688 13.594 346 HG21 VAL 45 1HG2 VAL 45 16.969 6.648 16.481 347 HG22 VAL 45 2HG2 VAL 45 15.341 6.762 15.765 348 HG23 VAL 45 3HG2 VAL 45 15.697 5.532 17.007 349 H GLU 46 H GLU 46 15.940 2.034 15.205 350 HA GLU 46 HA GLU 46 17.471 1.310 12.859 351 HB2 GLU 46 1HB GLU 46 16.439 -0.380 15.122 352 HB3 GLU 46 2HB GLU 46 17.614 -0.880 13.892 353 HG2 GLU 46 1HG GLU 46 18.747 1.439 14.829 354 HG3 GLU 46 2HG GLU 46 18.021 0.766 16.296 355 H GLU 47 H GLU 47 14.132 1.210 13.648 356 HA GLU 47 HA GLU 47 13.646 -0.861 11.584 357 HB2 GLU 47 1HB GLU 47 11.728 0.495 13.521 358 HB3 GLU 47 2HB GLU 47 11.365 -0.862 12.438 359 HG2 GLU 47 1HG GLU 47 13.144 -2.187 13.628 360 HG3 GLU 47 2HG GLU 47 13.321 -0.852 14.769 361 H CYS 48 H CYS 48 13.337 2.598 12.150 362 HA CYS 48 HA CYS 48 11.802 2.834 9.594 363 HB2 CYS 48 1HB CYS 48 11.948 4.642 12.010 364 HB3 CYS 48 2HB CYS 48 11.146 5.077 10.496 365 H CYS 49 H CYS 49 14.902 3.733 10.919 366 HA CYS 49 HA CYS 49 15.216 5.682 8.653 367 HB2 CYS 49 1HB CYS 49 15.535 6.605 10.970 368 HB3 CYS 49 2HB CYS 49 16.882 5.486 11.184 369 H PHE 50 H PHE 50 16.880 3.148 10.574 370 HA PHE 50 HA PHE 50 18.898 2.768 8.485 371 HB2 PHE 50 1HB PHE 50 18.204 1.116 10.939 372 HB3 PHE 50 2HB PHE 50 19.584 0.828 9.885 373 HD1 PHE 50 HD1 PHE 50 18.265 2.952 12.603 374 HD2 PHE 50 HD2 PHE 50 21.503 2.430 9.828 375 HE1 PHE 50 HE1 PHE 50 19.639 4.418 13.982 376 HE2 PHE 50 HE2 PHE 50 22.896 3.982 11.215 377 HZ PHE 50 HZ PHE 50 21.933 4.977 13.314 378 H ARG 51 H ARG 51 15.664 1.821 8.934 379 HA ARG 51 HA ARG 51 15.787 0.014 6.610 380 HB2 ARG 51 1HB ARG 51 14.529 -0.783 9.274 381 HB3 ARG 51 2HB ARG 51 14.156 -1.561 7.730 382 HG2 ARG 51 1HG ARG 51 16.904 -1.511 9.034 383 HG3 ARG 51 2HG ARG 51 15.755 -2.854 9.128 384 HD2 ARG 51 1HD ARG 51 15.816 -3.084 6.665 385 HD3 ARG 51 2HD ARG 51 16.977 -1.743 6.571 386 HE ARG 51 HE ARG 51 18.021 -3.680 8.342 387 HH11 ARG 51 1HH1 ARG 51 17.380 -3.332 4.890 388 HH12 ARG 51 2HH1 ARG 51 18.656 -4.431 4.445 389 HH21 ARG 51 1HH2 ARG 51 19.639 -5.069 7.697 390 HH22 ARG 51 2HH2 ARG 51 19.909 -5.395 6.007 391 H SER 52 H SER 52 13.331 -0.512 6.126 392 HA SER 52 HA SER 52 11.894 2.061 6.201 393 HB2 SER 52 1HB SER 52 10.505 0.897 4.494 394 HB3 SER 52 2HB SER 52 12.235 0.903 4.077 395 HG SER 52 HG SER 52 10.860 -1.239 5.341 396 H CYS 53 H CYS 53 9.719 2.219 6.930 397 HA CYS 53 HA CYS 53 8.539 -0.163 8.247 398 HB2 CYS 53 1HB CYS 53 8.239 0.876 10.354 399 HB3 CYS 53 2HB CYS 53 9.946 1.018 9.951 400 H ASP 54 H ASP 54 6.329 0.224 8.970 401 HA ASP 54 HA ASP 54 4.901 2.240 7.282 402 HB2 ASP 54 1HB ASP 54 4.090 -0.431 8.490 403 HB3 ASP 54 2HB ASP 54 2.908 0.730 7.865 404 H LEU 55 H LEU 55 2.919 3.142 8.355 405 HA LEU 55 HA LEU 55 3.493 4.346 10.861 406 HB2 LEU 55 1HB LEU 55 1.588 5.481 10.518 407 HB3 LEU 55 2HB LEU 55 1.657 4.709 8.931 408 HG LEU 55 HG LEU 55 -0.028 3.513 11.106 409 HD11 LEU 55 1HD1 LEU 55 -0.776 5.742 9.175 410 HD12 LEU 55 2HD1 LEU 55 -0.650 5.875 10.946 411 HD13 LEU 55 3HD1 LEU 55 -1.903 4.849 10.224 412 HD21 LEU 55 1HD2 LEU 55 0.382 2.195 9.002 413 HD22 LEU 55 2HD2 LEU 55 -0.266 3.550 8.055 414 HD23 LEU 55 3HD2 LEU 55 -1.315 2.666 9.186 415 H ALA 56 H ALA 56 2.008 1.329 10.022 416 HA ALA 56 HA ALA 56 0.694 0.876 12.524 417 HB1 ALA 56 1HB ALA 56 1.553 -1.093 10.384 418 HB2 ALA 56 2HB ALA 56 0.235 -1.285 11.573 419 HB3 ALA 56 3HB ALA 56 0.114 -0.048 10.283 420 H LEU 57 H LEU 57 3.843 -0.102 11.142 421 HA LEU 57 HA LEU 57 4.679 -1.738 13.370 422 HB2 LEU 57 1HB LEU 57 5.716 -1.772 11.119 423 HB3 LEU 57 2HB LEU 57 6.272 -0.123 11.331 424 HG LEU 57 HG LEU 57 7.225 -2.355 13.132 425 HD11 LEU 57 1HD1 LEU 57 7.619 -3.000 10.786 426 HD12 LEU 57 2HD1 LEU 57 9.137 -2.628 11.620 427 HD13 LEU 57 3HD1 LEU 57 8.436 -1.448 10.492 428 HD21 LEU 57 1HD2 LEU 57 8.322 0.396 12.427 429 HD22 LEU 57 2HD2 LEU 57 9.281 -0.860 13.229 430 HD23 LEU 57 3HD2 LEU 57 7.851 -0.216 14.024 431 H LEU 58 H LEU 58 5.043 1.670 12.428 432 HA LEU 58 HA LEU 58 6.660 2.501 14.547 433 HB2 LEU 58 1HB LEU 58 6.200 3.515 12.341 434 HB3 LEU 58 2HB LEU 58 4.612 3.971 12.903 435 HG LEU 58 HG LEU 58 6.909 4.926 14.461 436 HD11 LEU 58 1HD1 LEU 58 6.169 5.927 11.695 437 HD12 LEU 58 2HD1 LEU 58 7.732 5.256 12.212 438 HD13 LEU 58 3HD1 LEU 58 7.189 6.823 12.843 439 HD21 LEU 58 1HD2 LEU 58 4.770 5.597 15.204 440 HD22 LEU 58 2HD2 LEU 58 4.227 5.995 13.560 441 HD23 LEU 58 3HD2 LEU 58 5.435 7.006 14.368 442 H GLU 59 H GLU 59 3.144 2.258 14.312 443 HA GLU 59 HA GLU 59 2.493 3.704 16.667 444 HB2 GLU 59 1HB GLU 59 0.978 3.085 14.815 445 HB3 GLU 59 2HB GLU 59 1.025 1.398 15.340 446 HG2 GLU 59 1HG GLU 59 -0.155 1.891 17.332 447 HG3 GLU 59 2HG GLU 59 0.120 3.623 17.143 448 HE2 GLU 59 HE2 GLU 59 -2.754 4.037 15.534 449 H THR 60 H THR 60 3.846 0.488 16.360 450 HA THR 60 HA THR 60 2.799 -0.559 18.813 451 HB THR 60 HB THR 60 4.536 -2.245 18.682 452 HG1 THR 60 HG1 THR 60 5.681 -0.815 16.501 453 HG21 THR 60 1HG2 THR 60 2.620 -2.293 17.034 454 HG22 THR 60 2HG2 THR 60 4.092 -3.114 16.461 455 HG23 THR 60 3HG2 THR 60 3.680 -1.496 15.853 456 H TYR 61 H TYR 61 5.129 1.892 18.227 457 HA TYR 61 HA TYR 61 6.504 1.510 20.799 458 HB2 TYR 61 1HB TYR 61 6.774 3.369 18.458 459 HB3 TYR 61 2HB TYR 61 7.483 3.819 20.006 460 HD1 TYR 61 HD1 TYR 61 9.524 2.901 20.753 461 HD2 TYR 61 HD2 TYR 61 7.500 1.106 17.409 462 HE1 TYR 61 HE1 TYR 61 11.506 1.450 20.345 463 HE2 TYR 61 HE2 TYR 61 9.490 -0.334 16.976 464 HH TYR 61 HH TYR 61 11.584 -0.923 17.651 465 H CYS 62 H CYS 62 3.457 2.735 20.121 466 HA CYS 62 HA CYS 62 3.544 5.240 21.509 467 HB2 CYS 62 1HB CYS 62 1.273 3.239 21.254 468 HB3 CYS 62 2HB CYS 62 1.111 4.890 21.862 469 H ALA 63 H ALA 63 2.994 5.835 23.618 470 HA ALA 63 HA ALA 63 3.669 3.747 25.623 471 HB1 ALA 63 1HB ALA 63 3.429 6.772 25.919 472 HB2 ALA 63 2HB ALA 63 4.058 5.636 27.133 473 HB3 ALA 63 3HB ALA 63 4.947 5.888 25.612 474 H THR 64 H THR 64 1.057 3.803 24.265 475 HA THR 64 HA THR 64 -0.636 3.829 26.649 476 HB THR 64 HB THR 64 -0.807 6.179 25.525 477 HG1 THR 64 HG1 THR 64 -3.240 4.734 25.488 478 HG21 THR 64 1HG2 THR 64 -2.408 4.601 23.508 479 HG22 THR 64 2HG2 THR 64 -0.794 5.286 23.185 480 HG23 THR 64 3HG2 THR 64 -2.159 6.362 23.553 481 HA PRO 65 HA PRO 65 -1.764 0.244 24.286 482 HB2 PRO 65 1HB PRO 65 -4.194 -0.430 25.289 483 HB3 PRO 65 2HB PRO 65 -2.719 -0.498 26.307 484 HG2 PRO 65 1HG PRO 65 -4.782 1.692 26.105 485 HG3 PRO 65 2HG PRO 65 -4.143 0.881 27.572 486 HD2 PRO 65 1HD PRO 65 -3.161 3.265 26.673 487 HD3 PRO 65 2HD PRO 65 -2.112 2.046 27.468 488 H ALA 66 H ALA 66 -3.286 -0.600 22.701 489 HA ALA 66 HA ALA 66 -4.402 1.404 20.959 490 HB1 ALA 66 1HB ALA 66 -3.579 -0.814 20.165 491 HB2 ALA 66 2HB ALA 66 -4.879 -1.613 21.085 492 HB3 ALA 66 3HB ALA 66 -5.281 -0.550 19.715 493 H LYS 67 H LYS 67 -6.586 1.985 20.706 494 HA LYS 67 HA LYS 67 -8.492 0.905 22.727 495 HB2 LYS 67 1HB LYS 67 -7.269 3.153 23.316 496 HB3 LYS 67 2HB LYS 67 -8.409 3.865 22.166 497 HG2 LYS 67 1HG LYS 67 -10.295 2.974 23.498 498 HG3 LYS 67 2HG LYS 67 -9.147 2.201 24.608 499 HD2 LYS 67 1HD LYS 67 -8.227 4.428 25.179 500 HD3 LYS 67 2HD LYS 67 -9.433 5.183 24.110 501 HE2 LYS 67 1HE LYS 67 -11.250 4.184 25.460 502 HE3 LYS 67 2HE LYS 67 -10.046 3.430 26.526 503 HZ1 LYS 67 1HZ LYS 67 -10.403 6.346 26.138 504 HZ2 LYS 67 2HZ LYS 67 -9.280 5.646 27.126 505 HZ3 LYS 67 3HZ LYS 67 -10.888 5.488 27.460 506 H SER 68 H SER 68 -8.158 0.383 19.903 507 HA SER 68 HA SER 68 -10.393 1.765 18.559 508 HB2 SER 68 1HB SER 68 -9.758 0.038 16.753 509 HB3 SER 68 2HB SER 68 -8.530 1.264 17.147 510 HG SER 68 HG SER 68 -8.670 -1.406 18.111 511 H GLU 69 H GLU 69 -12.160 1.178 19.850 512 HA GLU 69 HA GLU 69 -13.209 -1.532 19.475 513 HB2 GLU 69 1HB GLU 69 -13.521 -1.945 21.865 514 HB3 GLU 69 2HB GLU 69 -11.795 -1.780 21.516 515 HG2 GLU 69 1HG GLU 69 -11.881 0.576 22.330 516 HG3 GLU 69 2HG GLU 69 -13.586 0.351 22.741 Start of MODEL 2 1 H1 ALA 1 1H ALA 1 8.412 19.392 -3.437 2 H2 ALA 1 2H ALA 1 7.735 19.218 -1.941 3 H3 ALA 1 3H ALA 1 8.951 18.213 -2.415 4 HA ALA 1 HA ALA 1 6.251 18.335 -3.592 5 HB1 ALA 1 1HB ALA 1 8.594 16.463 -4.237 6 HB2 ALA 1 2HB ALA 1 6.964 16.373 -4.946 7 HB3 ALA 1 3HB ALA 1 8.003 17.776 -5.289 8 H TYR 2 H TYR 2 5.024 16.304 -3.223 9 HA TYR 2 HA TYR 2 5.080 15.546 -0.455 10 HB2 TYR 2 1HB TYR 2 3.021 15.533 -1.758 11 HB3 TYR 2 2HB TYR 2 3.705 14.370 -2.902 12 HD1 TYR 2 HD1 TYR 2 2.650 14.764 0.686 13 HD2 TYR 2 HD2 TYR 2 3.544 12.021 -2.516 14 HE1 TYR 2 HE1 TYR 2 1.816 12.862 2.069 15 HE2 TYR 2 HE2 TYR 2 2.698 10.133 -1.121 16 HH TYR 2 HH TYR 2 1.525 10.581 2.206 17 H ARG 3 H ARG 3 5.727 13.627 0.529 18 HA ARG 3 HA ARG 3 7.183 11.616 -1.129 19 HB2 ARG 3 1HB ARG 3 7.898 12.537 1.687 20 HB3 ARG 3 2HB ARG 3 8.696 11.244 0.796 21 HG2 ARG 3 1HG ARG 3 9.547 12.932 -0.828 22 HG3 ARG 3 2HG ARG 3 8.799 14.209 0.158 23 HD2 ARG 3 1HD ARG 3 10.927 12.226 1.096 24 HD3 ARG 3 2HD ARG 3 11.195 13.946 0.744 25 HE ARG 3 HE ARG 3 9.137 13.793 2.668 26 HH11 ARG 3 1HH1 ARG 3 12.589 12.977 2.582 27 HH12 ARG 3 2HH1 ARG 3 12.753 13.231 4.307 28 HH21 ARG 3 1HH2 ARG 3 9.477 14.073 4.839 29 HH22 ARG 3 2HH2 ARG 3 11.077 13.851 5.529 30 HA PRO 4 HA PRO 4 4.175 9.264 1.237 31 HB2 PRO 4 1HB PRO 4 5.236 6.745 1.170 32 HB3 PRO 4 2HB PRO 4 4.486 7.507 -0.272 33 HG2 PRO 4 1HG PRO 4 7.404 7.362 0.481 34 HG3 PRO 4 2HG PRO 4 6.618 6.930 -1.072 35 HD2 PRO 4 1HD PRO 4 7.793 9.349 -0.711 36 HD3 PRO 4 2HD PRO 4 6.275 9.183 -1.658 37 H SER 5 H SER 5 7.588 9.354 1.953 38 HA SER 5 HA SER 5 8.813 9.304 3.846 39 HB2 SER 5 1HB SER 5 6.247 10.211 5.150 40 HB3 SER 5 2HB SER 5 7.910 10.549 5.680 41 HG SER 5 HG SER 5 6.418 11.611 3.561 42 H GLU 6 H GLU 6 8.066 6.750 3.273 43 HA GLU 6 HA GLU 6 6.913 5.402 5.581 44 HB2 GLU 6 1HB GLU 6 7.496 3.383 4.393 45 HB3 GLU 6 2HB GLU 6 6.872 4.545 3.217 46 HG2 GLU 6 1HG GLU 6 9.368 5.150 2.805 47 HG3 GLU 6 2HG GLU 6 9.716 3.627 3.640 48 H THR 7 H THR 7 9.803 6.960 4.916 49 HA THR 7 HA THR 7 11.109 5.657 7.230 50 HB THR 7 HB THR 7 13.337 6.146 6.060 51 HG1 THR 7 HG1 THR 7 13.191 6.442 3.774 52 HG21 THR 7 1HG2 THR 7 13.292 4.266 4.518 53 HG22 THR 7 2HG2 THR 7 11.514 4.268 4.558 54 HG23 THR 7 3HG2 THR 7 12.443 3.897 6.030 55 H LEU 8 H LEU 8 12.058 6.821 8.573 56 HA LEU 8 HA LEU 8 12.064 9.765 8.174 57 HB2 LEU 8 1HB LEU 8 11.014 8.196 10.518 58 HB3 LEU 8 2HB LEU 8 11.283 9.910 10.492 59 HG LEU 8 HG LEU 8 9.108 9.740 10.419 60 HD11 LEU 8 1HD1 LEU 8 10.150 10.986 8.404 61 HD12 LEU 8 2HD1 LEU 8 8.390 10.832 8.600 62 HD13 LEU 8 3HD1 LEU 8 9.263 9.757 7.481 63 HD21 LEU 8 1HD2 LEU 8 9.198 7.541 8.511 64 HD22 LEU 8 2HD2 LEU 8 7.743 8.304 9.211 65 HD23 LEU 8 3HD2 LEU 8 8.894 7.473 10.268 66 H CYS 9 H CYS 9 13.423 10.809 9.429 67 HA CYS 9 HA CYS 9 15.163 9.257 11.291 68 HB2 CYS 9 1HB CYS 9 16.108 10.993 8.995 69 HB3 CYS 9 2HB CYS 9 17.162 10.418 10.296 70 H GLY 10 H GLY 10 16.180 10.552 12.901 71 HA2 GLY 10 1HA GLY 10 16.290 12.332 14.371 72 HA3 GLY 10 2HA GLY 10 16.167 13.357 12.936 73 H GLY 11 H GLY 11 14.735 14.884 13.273 74 HA2 GLY 11 1HA GLY 11 12.564 14.604 15.134 75 HA3 GLY 11 2HA GLY 11 12.864 15.966 14.048 76 H GLU 12 H GLU 12 12.790 13.869 11.698 77 HA GLU 12 HA GLU 12 10.019 14.341 11.055 78 HB2 GLU 12 1HB GLU 12 11.850 12.197 9.936 79 HB3 GLU 12 2HB GLU 12 10.415 12.874 9.169 80 HG2 GLU 12 1HG GLU 12 11.533 14.986 8.809 81 HG3 GLU 12 2HG GLU 12 12.954 14.425 9.715 82 H LEU 13 H LEU 13 11.854 11.686 12.456 83 HA LEU 13 HA LEU 13 9.758 9.746 12.394 84 HB2 LEU 13 1HB LEU 13 12.207 9.307 12.629 85 HB3 LEU 13 2HB LEU 13 12.151 9.961 14.256 86 HG LEU 13 HG LEU 13 10.928 8.101 15.080 87 HD11 LEU 13 1HD1 LEU 13 10.142 6.241 13.662 88 HD12 LEU 13 2HD1 LEU 13 10.615 7.146 12.213 89 HD13 LEU 13 3HD1 LEU 13 9.312 7.749 13.260 90 HD21 LEU 13 1HD2 LEU 13 13.024 7.215 13.056 91 HD22 LEU 13 2HD2 LEU 13 12.440 6.238 14.415 92 HD23 LEU 13 3HD2 LEU 13 13.315 7.751 14.730 93 H VAL 14 H VAL 14 10.796 12.174 14.740 94 HA VAL 14 HA VAL 14 9.027 11.400 16.869 95 HB VAL 14 HB VAL 14 10.259 14.090 16.096 96 HG11 VAL 14 1HG1 VAL 14 8.933 13.407 18.738 97 HG12 VAL 14 2HG1 VAL 14 9.682 14.944 18.284 98 HG13 VAL 14 3HG1 VAL 14 8.193 14.416 17.480 99 HG21 VAL 14 1HG2 VAL 14 11.819 13.611 17.935 100 HG22 VAL 14 2HG2 VAL 14 10.994 12.061 18.231 101 HG23 VAL 14 3HG2 VAL 14 11.869 12.332 16.703 102 H ASP 15 H ASP 15 8.735 13.600 14.056 103 HA ASP 15 HA ASP 15 6.151 14.579 14.695 104 HB2 ASP 15 1HB ASP 15 7.836 15.397 12.953 105 HB3 ASP 15 2HB ASP 15 7.205 14.132 11.891 106 H THR 16 H THR 16 7.150 11.735 12.692 107 HA THR 16 HA THR 16 4.460 11.008 12.027 108 HB THR 16 HB THR 16 6.915 9.223 12.261 109 HG1 THR 16 HG1 THR 16 7.227 11.053 10.903 110 HG21 THR 16 1HG2 THR 16 4.358 8.994 10.631 111 HG22 THR 16 2HG2 THR 16 4.837 7.954 11.995 112 HG23 THR 16 3HG2 THR 16 5.775 7.931 10.489 113 H LEU 17 H LEU 17 6.602 10.061 14.731 114 HA LEU 17 HA LEU 17 4.775 8.161 15.875 115 HB2 LEU 17 1HB LEU 17 7.060 9.791 16.932 116 HB3 LEU 17 2HB LEU 17 6.062 8.839 18.029 117 HG LEU 17 HG LEU 17 7.156 7.504 15.580 118 HD11 LEU 17 1HD1 LEU 17 8.764 7.844 18.112 119 HD12 LEU 17 2HD1 LEU 17 9.063 8.701 16.584 120 HD13 LEU 17 3HD1 LEU 17 9.211 6.941 16.647 121 HD21 LEU 17 1HD2 LEU 17 5.558 6.334 17.115 122 HD22 LEU 17 2HD2 LEU 17 6.740 6.513 18.431 123 HD23 LEU 17 3HD2 LEU 17 7.132 5.526 17.006 124 H GLN 18 H GLN 18 5.008 11.708 16.237 125 HA GLN 18 HA GLN 18 2.892 11.849 18.227 126 HB2 GLN 18 1HB GLN 18 4.011 13.873 16.268 127 HB3 GLN 18 2HB GLN 18 2.763 14.256 17.458 128 HG2 GLN 18 1HG GLN 18 4.278 13.678 19.292 129 HG3 GLN 18 2HG GLN 18 5.536 13.230 18.143 130 HE21 GLN 18 1HE2 GLN 18 5.645 16.852 17.083 131 HE22 GLN 18 2HE2 GLN 18 5.047 15.415 16.291 132 H PHE 19 H PHE 19 2.977 11.720 14.661 133 HA PHE 19 HA PHE 19 0.258 12.547 14.297 134 HB2 PHE 19 1HB PHE 19 1.976 12.458 12.505 135 HB3 PHE 19 2HB PHE 19 1.942 10.694 12.577 136 HD1 PHE 19 HD1 PHE 19 -0.014 13.711 11.668 137 HD2 PHE 19 HD2 PHE 19 0.186 9.415 11.550 138 HE1 PHE 19 HE1 PHE 19 -1.898 13.674 10.037 139 HE2 PHE 19 HE2 PHE 19 -1.690 9.364 9.912 140 HZ PHE 19 HZ PHE 19 -2.742 11.496 9.156 141 H VAL 20 H VAL 20 1.710 9.276 14.785 142 HA VAL 20 HA VAL 20 -0.874 8.033 14.355 143 HB VAL 20 HB VAL 20 0.182 5.906 14.770 144 HG11 VAL 20 1HG1 VAL 20 1.916 5.933 13.121 145 HG12 VAL 20 2HG1 VAL 20 0.658 7.099 12.641 146 HG13 VAL 20 3HG1 VAL 20 2.175 7.676 13.358 147 HG21 VAL 20 1HG2 VAL 20 2.418 5.647 15.586 148 HG22 VAL 20 2HG2 VAL 20 2.632 7.411 15.708 149 HG23 VAL 20 3HG2 VAL 20 1.491 6.563 16.767 150 H CYS 21 H CYS 21 0.807 9.139 17.216 151 HA CYS 21 HA CYS 21 -1.449 8.021 18.861 152 HB2 CYS 21 1HB CYS 21 1.513 7.881 19.424 153 HB3 CYS 21 2HB CYS 21 0.290 7.646 20.683 154 H GLY 22 H GLY 22 -0.184 10.926 18.000 155 HA2 GLY 22 1HA GLY 22 -0.765 12.981 18.881 156 HA3 GLY 22 2HA GLY 22 -1.458 12.181 20.294 157 H ASP 23 H ASP 23 -0.469 14.176 21.227 158 HA ASP 23 HA ASP 23 2.424 14.246 21.614 159 HB2 ASP 23 1HB ASP 23 1.944 16.134 23.032 160 HB3 ASP 23 2HB ASP 23 0.885 16.259 21.619 161 H ARG 24 H ARG 24 0.095 12.219 22.693 162 HA ARG 24 HA ARG 24 0.412 12.108 25.498 163 HB2 ARG 24 1HB ARG 24 -0.217 9.759 23.694 164 HB3 ARG 24 2HB ARG 24 -0.767 10.052 25.348 165 HG2 ARG 24 1HG ARG 24 -1.833 12.241 24.207 166 HG3 ARG 24 2HG ARG 24 -1.737 11.227 22.753 167 HD2 ARG 24 1HD ARG 24 -3.871 10.831 23.683 168 HD3 ARG 24 2HD ARG 24 -2.883 9.418 24.140 169 HE ARG 24 HE ARG 24 -2.782 11.597 26.062 170 HH11 ARG 24 1HH1 ARG 24 -4.603 8.710 25.159 171 HH12 ARG 24 2HH1 ARG 24 -5.278 8.518 26.754 172 HH21 ARG 24 1HH2 ARG 24 -3.692 11.303 28.069 173 HH22 ARG 24 2HH2 ARG 24 -4.762 9.962 28.378 174 H GLY 25 H GLY 25 2.639 11.244 23.092 175 HA2 GLY 25 1HA GLY 25 4.874 10.817 23.712 176 HA3 GLY 25 2HA GLY 25 4.328 10.086 25.220 177 H PHE 26 H PHE 26 6.304 9.037 23.677 178 HA PHE 26 HA PHE 26 5.278 6.367 23.095 179 HB2 PHE 26 1HB PHE 26 6.455 6.455 20.810 180 HB3 PHE 26 2HB PHE 26 4.867 7.218 20.930 181 HD1 PHE 26 HD1 PHE 26 8.516 7.908 20.757 182 HD2 PHE 26 HD2 PHE 26 4.536 9.547 20.628 183 HE1 PHE 26 HE1 PHE 26 9.432 10.080 19.952 184 HE2 PHE 26 HE2 PHE 26 5.444 11.706 19.841 185 HZ PHE 26 HZ PHE 26 7.887 11.970 19.480 186 H TYR 27 H TYR 27 7.147 4.962 22.526 187 HA TYR 27 HA TYR 27 9.542 5.818 24.100 188 HB2 TYR 27 1HB TYR 27 8.533 3.110 23.133 189 HB3 TYR 27 2HB TYR 27 10.008 3.379 24.054 190 HD1 TYR 27 HD1 TYR 27 9.913 4.038 26.457 191 HD2 TYR 27 HD2 TYR 27 6.315 3.069 24.260 192 HE1 TYR 27 HE1 TYR 27 8.675 3.711 28.598 193 HE2 TYR 27 HE2 TYR 27 5.130 2.706 26.413 194 HH TYR 27 HH TYR 27 5.234 2.789 28.683 195 H PHE 28 H PHE 28 11.661 5.556 23.050 196 HA PHE 28 HA PHE 28 11.411 5.369 20.080 197 HB2 PHE 28 1HB PHE 28 12.936 7.039 21.812 198 HB3 PHE 28 2HB PHE 28 14.068 5.988 20.974 199 HD1 PHE 28 HD1 PHE 28 14.851 6.662 18.871 200 HD2 PHE 28 HD2 PHE 28 11.041 8.124 20.252 201 HE1 PHE 28 HE1 PHE 28 14.687 8.133 16.863 202 HE2 PHE 28 HE2 PHE 28 10.871 9.586 18.242 203 HZ PHE 28 HZ PHE 28 12.699 9.605 16.555 204 H ASN 29 H ASN 29 12.524 3.821 22.950 205 HA ASN 29 HA ASN 29 13.366 1.452 21.449 206 HB2 ASN 29 1HB ASN 29 15.554 1.630 22.991 207 HB3 ASN 29 2HB ASN 29 15.507 2.284 21.364 208 HD21 ASN 29 1HD2 ASN 29 16.531 5.354 22.563 209 HD22 ASN 29 2HD2 ASN 29 16.684 4.063 21.394 210 H ARG 30 H ARG 30 11.414 2.404 23.490 211 HA ARG 30 HA ARG 30 10.451 1.640 25.449 212 HB2 ARG 30 1HB ARG 30 11.375 -1.031 24.383 213 HB3 ARG 30 2HB ARG 30 9.889 -0.617 25.226 214 HG2 ARG 30 1HG ARG 30 9.618 1.032 23.186 215 HG3 ARG 30 2HG ARG 30 10.676 -0.144 22.408 216 HD2 ARG 30 1HD ARG 30 8.103 -0.948 23.822 217 HD3 ARG 30 2HD ARG 30 8.107 -0.375 22.149 218 HE ARG 30 HE ARG 30 9.864 -2.653 22.844 219 HH11 ARG 30 1HH1 ARG 30 6.909 -1.544 21.204 220 HH12 ARG 30 2HH1 ARG 30 6.771 -3.017 20.291 221 HH21 ARG 30 1HH2 ARG 30 9.581 -4.507 21.645 222 HH22 ARG 30 2HH2 ARG 30 8.241 -4.654 20.540 223 HA PRO 31 HA PRO 31 14.510 0.439 27.210 224 HB2 PRO 31 1HB PRO 31 15.459 2.632 28.545 225 HB3 PRO 31 2HB PRO 31 15.540 2.459 26.780 226 HG2 PRO 31 1HG PRO 31 13.519 3.964 28.374 227 HG3 PRO 31 2HG PRO 31 14.486 4.515 26.970 228 HD2 PRO 31 1HD PRO 31 11.935 3.566 26.712 229 HD3 PRO 31 2HD PRO 31 13.184 3.312 25.454 230 H ALA 32 H ALA 32 12.181 2.350 28.852 231 HA ALA 32 HA ALA 32 11.303 2.469 30.955 232 HB1 ALA 32 1HB ALA 32 11.967 -0.503 31.057 233 HB2 ALA 32 2HB ALA 32 10.756 0.343 32.048 234 HB3 ALA 32 3HB ALA 32 10.522 0.198 30.290 235 H SER 33 H SER 33 14.168 2.996 30.721 236 HA SER 33 HA SER 33 14.837 3.047 33.561 237 HB2 SER 33 1HB SER 33 16.985 1.814 33.250 238 HB3 SER 33 2HB SER 33 15.573 0.768 33.002 239 HG SER 33 HG SER 33 15.881 0.805 30.845 240 H ARG 34 H ARG 34 17.288 3.927 33.619 241 HA ARG 34 HA ARG 34 17.550 5.978 31.454 242 HB2 ARG 34 1HB ARG 34 18.110 6.286 34.414 243 HB3 ARG 34 2HB ARG 34 18.432 7.515 33.195 244 HG2 ARG 34 1HG ARG 34 15.655 6.455 33.844 245 HG3 ARG 34 2HG ARG 34 16.369 7.917 34.543 246 HD2 ARG 34 1HD ARG 34 16.658 8.834 32.232 247 HD3 ARG 34 2HD ARG 34 15.787 7.420 31.600 248 HE ARG 34 HE ARG 34 14.201 8.607 33.630 249 HH11 ARG 34 1HH1 ARG 34 15.317 9.418 30.381 250 HH12 ARG 34 2HH1 ARG 34 13.940 10.439 30.063 251 HH21 ARG 34 1HH2 ARG 34 12.473 9.925 33.151 252 HH22 ARG 34 2HH2 ARG 34 12.362 10.717 31.605 253 H VAL 35 H VAL 35 18.810 3.259 32.012 254 HA VAL 35 HA VAL 35 21.655 4.121 32.306 255 HB VAL 35 HB VAL 35 22.133 1.742 32.725 256 HG11 VAL 35 1HG1 VAL 35 21.541 3.267 34.605 257 HG12 VAL 35 2HG1 VAL 35 19.845 2.750 34.462 258 HG13 VAL 35 3HG1 VAL 35 21.097 1.578 34.933 259 HG21 VAL 35 1HG2 VAL 35 20.342 0.689 31.378 260 HG22 VAL 35 2HG2 VAL 35 20.309 0.098 33.047 261 HG23 VAL 35 3HG2 VAL 35 19.117 1.297 32.515 262 H SER 36 H SER 36 19.376 3.259 30.041 263 HA SER 36 HA SER 36 21.068 1.780 28.208 264 HB2 SER 36 1HB SER 36 18.671 2.954 27.078 265 HB3 SER 36 2HB SER 36 19.112 1.249 27.313 266 HG SER 36 HG SER 36 18.069 1.230 29.188 267 H ARG 37 H ARG 37 20.531 2.652 25.745 268 HA ARG 37 HA ARG 37 21.344 3.943 24.112 269 HB2 ARG 37 1HB ARG 37 19.668 5.555 25.489 270 HB3 ARG 37 2HB ARG 37 21.165 6.492 25.606 271 HG2 ARG 37 1HG ARG 37 21.399 6.160 23.112 272 HG3 ARG 37 2HG ARG 37 19.748 5.517 23.136 273 HD2 ARG 37 1HD ARG 37 18.879 7.627 23.961 274 HD3 ARG 37 2HD ARG 37 20.511 8.247 24.255 275 HE ARG 37 HE ARG 37 19.088 8.142 21.698 276 HH11 ARG 37 1HH1 ARG 37 22.265 8.524 23.210 277 HH12 ARG 37 2HH1 ARG 37 22.922 9.346 21.821 278 HH21 ARG 37 1HH2 ARG 37 20.009 9.192 19.967 279 HH22 ARG 37 2HH2 ARG 37 21.673 9.704 20.022 280 H ARG 38 H ARG 38 23.039 3.052 26.416 281 HA ARG 38 HA ARG 38 25.344 4.913 26.209 282 HB2 ARG 38 1HB ARG 38 26.363 3.476 27.883 283 HB3 ARG 38 2HB ARG 38 24.742 3.949 28.401 284 HG2 ARG 38 1HG ARG 38 24.018 1.803 28.483 285 HG3 ARG 38 2HG ARG 38 24.743 1.396 26.923 286 HD2 ARG 38 1HD ARG 38 25.793 0.074 28.677 287 HD3 ARG 38 2HD ARG 38 26.960 1.218 27.983 288 HE ARG 38 HE ARG 38 25.565 2.207 30.355 289 HH11 ARG 38 1HH1 ARG 38 28.425 0.465 29.220 290 HH12 ARG 38 2HH1 ARG 38 29.328 0.814 30.668 291 HH21 ARG 38 1HH2 ARG 38 26.784 2.609 32.175 292 HH22 ARG 38 2HH2 ARG 38 28.413 2.005 32.308 293 H SER 39 H SER 39 24.091 2.656 24.250 294 HA SER 39 HA SER 39 26.643 1.922 23.006 295 HB2 SER 39 1HB SER 39 25.993 -0.523 23.091 296 HB3 SER 39 2HB SER 39 26.447 0.136 24.678 297 HG SER 39 HG SER 39 24.382 -1.165 24.390 298 HA PRO 40 HA PRO 40 23.618 1.987 19.745 299 HB2 PRO 40 1HB PRO 40 24.464 0.146 17.912 300 HB3 PRO 40 2HB PRO 40 25.316 1.702 18.170 301 HG2 PRO 40 1HG PRO 40 25.968 -1.017 19.277 302 HG3 PRO 40 2HG PRO 40 27.049 0.173 18.489 303 HD2 PRO 40 1HD PRO 40 26.869 -0.075 21.191 304 HD3 PRO 40 2HD PRO 40 27.161 1.508 20.394 305 H GLN 41 H GLN 41 21.710 1.256 20.586 306 HA GLN 41 HA GLN 41 21.193 -1.631 20.569 307 HB2 GLN 41 1HB GLN 41 19.690 -1.258 22.370 308 HB3 GLN 41 2HB GLN 41 21.297 -0.739 22.846 309 HG2 GLN 41 1HG GLN 41 20.683 1.542 22.499 310 HG3 GLN 41 2HG GLN 41 19.125 1.058 21.830 311 HE21 GLN 41 1HE2 GLN 41 17.557 0.449 24.897 312 HE22 GLN 41 2HE2 GLN 41 17.523 0.163 23.172 313 H ARG 42 H ARG 42 19.055 -2.220 19.856 314 HA ARG 42 HA ARG 42 18.237 -0.507 17.739 315 HB2 ARG 42 1HB ARG 42 16.724 -2.159 17.089 316 HB3 ARG 42 2HB ARG 42 18.132 -2.999 17.700 317 HG2 ARG 42 1HG ARG 42 16.800 -4.211 18.967 318 HG3 ARG 42 2HG ARG 42 16.446 -2.748 19.909 319 HD2 ARG 42 1HD ARG 42 14.362 -3.689 19.139 320 HD3 ARG 42 2HD ARG 42 14.689 -2.173 18.272 321 HE ARG 42 HE ARG 42 15.696 -4.406 16.789 322 HH11 ARG 42 1HH1 ARG 42 12.653 -2.751 17.516 323 HH12 ARG 42 2HH1 ARG 42 11.933 -3.244 15.995 324 HH21 ARG 42 1HH2 ARG 42 14.681 -4.980 14.891 325 HH22 ARG 42 2HH2 ARG 42 13.058 -4.422 14.549 326 H GLY 43 H GLY 43 16.062 0.167 17.237 327 HA2 GLY 43 1HA GLY 43 14.102 0.588 19.287 328 HA3 GLY 43 2HA GLY 43 15.078 2.059 19.032 329 H ILE 44 H ILE 44 12.731 2.704 18.277 330 HA ILE 44 HA ILE 44 11.739 1.755 15.775 331 HB ILE 44 HB ILE 44 10.417 3.139 17.399 332 HG12 ILE 44 1HG1 ILE 44 9.524 4.829 15.678 333 HG13 ILE 44 2HG1 ILE 44 10.723 4.186 14.574 334 HG21 ILE 44 1HG2 ILE 44 10.745 5.511 17.650 335 HG22 ILE 44 2HG2 ILE 44 12.310 4.743 17.956 336 HG23 ILE 44 3HG2 ILE 44 12.009 5.536 16.405 337 HD11 ILE 44 1HD1 ILE 44 9.707 1.923 14.852 338 HD12 ILE 44 2HD1 ILE 44 8.425 2.694 15.822 339 HD13 ILE 44 3HD1 ILE 44 8.641 3.140 14.119 340 H VAL 45 H VAL 45 14.262 4.071 16.585 341 HA VAL 45 HA VAL 45 14.515 5.254 14.030 342 HB VAL 45 HB VAL 45 15.566 6.215 15.997 343 HG11 VAL 45 1HG1 VAL 45 16.177 4.197 17.205 344 HG12 VAL 45 2HG1 VAL 45 17.406 3.801 15.973 345 HG13 VAL 45 3HG1 VAL 45 17.593 5.242 16.996 346 HG21 VAL 45 1HG2 VAL 45 16.488 6.729 13.756 347 HG22 VAL 45 2HG2 VAL 45 17.727 6.814 15.030 348 HG23 VAL 45 3HG2 VAL 45 17.661 5.408 13.942 349 H GLU 46 H GLU 46 15.632 2.078 15.203 350 HA GLU 46 HA GLU 46 17.281 1.698 12.829 351 HB2 GLU 46 1HB GLU 46 16.233 -0.403 14.723 352 HB3 GLU 46 2HB GLU 46 17.556 -0.553 13.553 353 HG2 GLU 46 1HG GLU 46 18.453 1.548 14.993 354 HG3 GLU 46 2HG GLU 46 17.500 0.704 16.232 355 H GLU 47 H GLU 47 13.951 1.243 13.753 356 HA GLU 47 HA GLU 47 13.369 -0.643 11.612 357 HB2 GLU 47 1HB GLU 47 11.491 1.078 13.277 358 HB3 GLU 47 2HB GLU 47 11.031 -0.299 12.280 359 HG2 GLU 47 1HG GLU 47 12.978 -0.601 14.579 360 HG3 GLU 47 2HG GLU 47 11.236 -0.577 14.847 361 H CYS 48 H CYS 48 13.157 2.875 12.080 362 HA CYS 48 HA CYS 48 11.902 3.090 9.378 363 HB2 CYS 48 1HB CYS 48 11.874 5.026 11.701 364 HB3 CYS 48 2HB CYS 48 11.050 5.253 10.152 365 H CYS 49 H CYS 49 14.876 3.933 10.969 366 HA CYS 49 HA CYS 49 15.414 5.929 8.790 367 HB2 CYS 49 1HB CYS 49 15.626 6.729 11.161 368 HB3 CYS 49 2HB CYS 49 16.938 5.574 11.381 369 H PHE 50 H PHE 50 16.713 3.075 10.518 370 HA PHE 50 HA PHE 50 18.844 2.805 8.471 371 HB2 PHE 50 1HB PHE 50 18.167 1.154 10.927 372 HB3 PHE 50 2HB PHE 50 19.494 0.802 9.824 373 HD1 PHE 50 HD1 PHE 50 21.568 2.015 9.911 374 HD2 PHE 50 HD2 PHE 50 18.249 3.267 12.324 375 HE1 PHE 50 HE1 PHE 50 23.072 3.517 11.219 376 HE2 PHE 50 HE2 PHE 50 19.727 4.734 13.642 377 HZ PHE 50 HZ PHE 50 22.139 4.888 13.092 378 H ARG 51 H ARG 51 15.613 1.877 8.945 379 HA ARG 51 HA ARG 51 15.744 0.023 6.633 380 HB2 ARG 51 1HB ARG 51 14.330 -0.592 9.263 381 HB3 ARG 51 2HB ARG 51 14.048 -1.459 7.749 382 HG2 ARG 51 1HG ARG 51 16.720 -1.357 9.198 383 HG3 ARG 51 2HG ARG 51 15.521 -2.650 9.375 384 HD2 ARG 51 1HD ARG 51 15.641 -3.074 6.936 385 HD3 ARG 51 2HD ARG 51 16.906 -1.834 6.798 386 HE ARG 51 HE ARG 51 17.704 -3.681 8.781 387 HH11 ARG 51 1HH1 ARG 51 17.229 -3.619 5.290 388 HH12 ARG 51 2HH1 ARG 51 18.419 -4.861 5.005 389 HH21 ARG 51 1HH2 ARG 51 19.218 -5.256 8.350 390 HH22 ARG 51 2HH2 ARG 51 19.525 -5.772 6.714 391 H SER 52 H SER 52 13.215 -0.523 6.249 392 HA SER 52 HA SER 52 11.780 2.058 6.268 393 HB2 SER 52 1HB SER 52 10.444 0.904 4.517 394 HB3 SER 52 2HB SER 52 12.160 1.056 4.096 395 HG SER 52 HG SER 52 10.846 -1.107 3.990 396 H CYS 53 H CYS 53 9.635 2.123 7.036 397 HA CYS 53 HA CYS 53 8.649 -0.305 8.445 398 HB2 CYS 53 1HB CYS 53 8.238 0.933 10.473 399 HB3 CYS 53 2HB CYS 53 9.947 1.054 10.068 400 H ASP 54 H ASP 54 6.379 0.477 9.443 401 HA ASP 54 HA ASP 54 4.966 2.187 7.446 402 HB2 ASP 54 1HB ASP 54 4.472 -0.154 6.867 403 HB3 ASP 54 2HB ASP 54 4.100 -0.512 8.562 404 H LEU 55 H LEU 55 2.884 2.971 8.416 405 HA LEU 55 HA LEU 55 3.291 4.166 10.956 406 HB2 LEU 55 1HB LEU 55 1.558 5.321 10.231 407 HB3 LEU 55 2HB LEU 55 1.413 4.199 8.879 408 HG LEU 55 HG LEU 55 -0.080 3.557 11.391 409 HD11 LEU 55 1HD1 LEU 55 -0.520 5.941 11.029 410 HD12 LEU 55 2HD1 LEU 55 -1.942 4.973 10.599 411 HD13 LEU 55 3HD1 LEU 55 -0.895 5.632 9.318 412 HD21 LEU 55 1HD2 LEU 55 -0.748 3.307 8.415 413 HD22 LEU 55 2HD2 LEU 55 -1.673 2.626 9.773 414 HD23 LEU 55 3HD2 LEU 55 -0.057 2.004 9.396 415 H ALA 56 H ALA 56 1.818 1.074 10.062 416 HA ALA 56 HA ALA 56 0.566 0.636 12.606 417 HB1 ALA 56 1HB ALA 56 0.241 -1.608 11.764 418 HB2 ALA 56 2HB ALA 56 -0.006 -0.433 10.436 419 HB3 ALA 56 3HB ALA 56 1.507 -1.360 10.527 420 H LEU 57 H LEU 57 3.736 -0.293 11.233 421 HA LEU 57 HA LEU 57 4.609 -1.843 13.504 422 HB2 LEU 57 1HB LEU 57 5.590 -1.884 11.202 423 HB3 LEU 57 2HB LEU 57 6.225 -0.269 11.453 424 HG LEU 57 HG LEU 57 7.058 -2.602 13.190 425 HD11 LEU 57 1HD1 LEU 57 7.437 -3.180 10.826 426 HD12 LEU 57 2HD1 LEU 57 8.972 -2.893 11.669 427 HD13 LEU 57 3HD1 LEU 57 8.312 -1.649 10.584 428 HD21 LEU 57 1HD2 LEU 57 7.746 -0.459 14.105 429 HD22 LEU 57 2HD2 LEU 57 8.389 0.055 12.531 430 HD23 LEU 57 3HD2 LEU 57 9.153 -1.277 13.427 431 H LEU 58 H LEU 58 4.924 1.550 12.480 432 HA LEU 58 HA LEU 58 6.583 2.431 14.536 433 HB2 LEU 58 1HB LEU 58 6.057 3.437 12.329 434 HB3 LEU 58 2HB LEU 58 4.470 3.878 12.939 435 HG LEU 58 HG LEU 58 6.683 4.817 14.578 436 HD11 LEU 58 1HD1 LEU 58 7.787 5.069 12.438 437 HD12 LEU 58 2HD1 LEU 58 7.254 6.666 12.991 438 HD13 LEU 58 3HD1 LEU 58 6.339 5.809 11.729 439 HD21 LEU 58 1HD2 LEU 58 4.222 6.017 13.287 440 HD22 LEU 58 2HD2 LEU 58 5.321 6.917 14.340 441 HD23 LEU 58 3HD2 LEU 58 4.436 5.524 14.981 442 H GLU 59 H GLU 59 3.056 2.186 14.392 443 HA GLU 59 HA GLU 59 2.465 3.649 16.752 444 HB2 GLU 59 1HB GLU 59 0.875 3.017 15.000 445 HB3 GLU 59 2HB GLU 59 1.037 1.317 15.437 446 HG2 GLU 59 1HG GLU 59 0.252 3.021 17.695 447 HG3 GLU 59 2HG GLU 59 -0.882 3.050 16.345 448 HE2 GLU 59 HE2 GLU 59 -2.277 1.787 16.521 449 H THR 60 H THR 60 3.693 0.351 16.386 450 HA THR 60 HA THR 60 2.810 -0.623 18.910 451 HB THR 60 HB THR 60 4.373 -2.417 18.660 452 HG1 THR 60 HG1 THR 60 5.627 -0.980 16.541 453 HG21 THR 60 1HG2 THR 60 3.802 -3.223 16.478 454 HG22 THR 60 2HG2 THR 60 3.651 -1.578 15.830 455 HG23 THR 60 3HG2 THR 60 2.445 -2.183 16.982 456 H TYR 61 H TYR 61 5.204 1.725 18.208 457 HA TYR 61 HA TYR 61 6.701 1.239 20.708 458 HB2 TYR 61 1HB TYR 61 6.990 3.004 18.308 459 HB3 TYR 61 2HB TYR 61 7.738 3.511 19.815 460 HD1 TYR 61 HD1 TYR 61 9.614 2.318 20.787 461 HD2 TYR 61 HD2 TYR 61 7.786 0.932 17.150 462 HE1 TYR 61 HE1 TYR 61 11.557 0.809 20.390 463 HE2 TYR 61 HE2 TYR 61 9.752 -0.547 16.717 464 HH TYR 61 HH TYR 61 12.506 -0.720 19.044 465 H CYS 62 H CYS 62 3.737 2.701 20.077 466 HA CYS 62 HA CYS 62 4.054 5.203 21.411 467 HB2 CYS 62 1HB CYS 62 1.615 3.459 21.033 468 HB3 CYS 62 2HB CYS 62 1.586 5.122 21.648 469 H ALA 63 H ALA 63 3.193 5.948 23.420 470 HA ALA 63 HA ALA 63 4.056 4.147 25.562 471 HB1 ALA 63 1HB ALA 63 3.892 6.179 26.959 472 HB2 ALA 63 2HB ALA 63 4.864 6.450 25.494 473 HB3 ALA 63 3HB ALA 63 3.188 7.055 25.574 474 H THR 64 H THR 64 1.062 4.970 24.169 475 HA THR 64 HA THR 64 -0.378 3.771 26.401 476 HB THR 64 HB THR 64 -0.065 6.350 26.824 477 HG1 THR 64 HG1 THR 64 -1.492 5.204 28.050 478 HG21 THR 64 1HG2 THR 64 -2.399 6.441 24.906 479 HG22 THR 64 2HG2 THR 64 -0.755 7.000 24.502 480 HG23 THR 64 3HG2 THR 64 -1.672 7.794 25.799 481 HA PRO 65 HA PRO 65 -2.700 2.497 22.831 482 HB2 PRO 65 1HB PRO 65 -4.958 1.512 23.959 483 HB3 PRO 65 2HB PRO 65 -3.361 0.761 24.289 484 HG2 PRO 65 1HG PRO 65 -4.865 2.801 25.932 485 HG3 PRO 65 2HG PRO 65 -4.184 1.225 26.453 486 HD2 PRO 65 1HD PRO 65 -2.822 3.566 26.782 487 HD3 PRO 65 2HD PRO 65 -1.985 2.025 26.401 488 H ALA 66 H ALA 66 -4.701 2.822 21.618 489 HA ALA 66 HA ALA 66 -5.985 5.459 22.100 490 HB1 ALA 66 1HB ALA 66 -5.159 4.882 19.788 491 HB2 ALA 66 2HB ALA 66 -6.272 3.484 19.780 492 HB3 ALA 66 3HB ALA 66 -6.923 5.135 19.843 493 H LYS 67 H LYS 67 -8.431 5.439 21.766 494 HA LYS 67 HA LYS 67 -9.670 2.813 22.400 495 HB2 LYS 67 1HB LYS 67 -9.589 4.212 24.499 496 HB3 LYS 67 2HB LYS 67 -10.564 5.430 23.659 497 HG2 LYS 67 1HG LYS 67 -12.291 3.602 23.256 498 HG3 LYS 67 2HG LYS 67 -11.354 2.581 24.363 499 HD2 LYS 67 1HD LYS 67 -11.636 4.295 26.135 500 HD3 LYS 67 2HD LYS 67 -12.591 5.276 25.001 501 HE2 LYS 67 1HE LYS 67 -14.097 3.214 24.730 502 HE3 LYS 67 2HE LYS 67 -13.285 2.563 26.172 503 HZ1 LYS 67 1HZ LYS 67 -15.318 3.785 26.704 504 HZ2 LYS 67 2HZ LYS 67 -14.733 5.148 25.995 505 HZ3 LYS 67 3HZ LYS 67 -14.010 4.555 27.365 506 H SER 68 H SER 68 -10.816 2.375 20.671 507 HA SER 68 HA SER 68 -12.225 4.518 19.206 508 HB2 SER 68 1HB SER 68 -11.643 1.622 18.435 509 HB3 SER 68 2HB SER 68 -12.452 2.835 17.420 510 HG SER 68 HG SER 68 -10.292 2.751 16.845 511 H GLU 69 H GLU 69 -14.213 4.707 19.830 512 HA GLU 69 HA GLU 69 -15.878 2.359 20.493 513 HB2 GLU 69 1HB GLU 69 -16.769 3.350 22.497 514 HB3 GLU 69 2HB GLU 69 -15.014 3.261 22.670 515 HG2 GLU 69 1HG GLU 69 -14.876 5.696 22.056 516 HG3 GLU 69 2HG GLU 69 -16.648 5.751 22.022 Start of MODEL 3 1 H1 ALA 1 1H ALA 1 14.311 15.892 -5.741 2 H2 ALA 1 2H ALA 1 14.095 17.329 -6.524 3 H3 ALA 1 3H ALA 1 13.860 17.231 -4.894 4 HA ALA 1 HA ALA 1 11.746 17.319 -5.998 5 HB1 ALA 1 1HB ALA 1 12.711 14.756 -7.378 6 HB2 ALA 1 2HB ALA 1 11.091 15.475 -7.530 7 HB3 ALA 1 3HB ALA 1 12.508 16.342 -8.169 8 H TYR 2 H TYR 2 9.905 16.031 -5.251 9 HA TYR 2 HA TYR 2 10.369 14.905 -2.662 10 HB2 TYR 2 1HB TYR 2 8.295 16.061 -3.402 11 HB3 TYR 2 2HB TYR 2 7.950 14.719 -4.499 12 HD1 TYR 2 HD1 TYR 2 8.542 15.467 -0.847 13 HD2 TYR 2 HD2 TYR 2 6.641 12.896 -3.737 14 HE1 TYR 2 HE1 TYR 2 7.363 14.259 0.990 15 HE2 TYR 2 HE2 TYR 2 5.467 11.699 -1.884 16 HH TYR 2 HH TYR 2 5.184 11.513 0.401 17 H ARG 3 H ARG 3 10.055 12.771 -1.923 18 HA ARG 3 HA ARG 3 9.983 10.586 -3.956 19 HB2 ARG 3 1HB ARG 3 11.911 10.925 -1.613 20 HB3 ARG 3 2HB ARG 3 11.513 9.341 -2.283 21 HG2 ARG 3 1HG ARG 3 12.350 10.072 -4.490 22 HG3 ARG 3 2HG ARG 3 12.857 11.614 -3.765 23 HD2 ARG 3 1HD ARG 3 14.343 10.437 -2.222 24 HD3 ARG 3 2HD ARG 3 13.755 8.868 -2.809 25 HE ARG 3 HE ARG 3 14.777 10.331 -5.015 26 HH11 ARG 3 1HH1 ARG 3 15.986 8.705 -2.122 27 HH12 ARG 3 2HH1 ARG 3 17.521 8.335 -2.858 28 HH21 ARG 3 1HH2 ARG 3 16.767 9.824 -5.886 29 HH22 ARG 3 2HH2 ARG 3 17.955 8.968 -4.944 30 HA PRO 4 HA PRO 4 6.765 9.480 -1.162 31 HB2 PRO 4 1HB PRO 4 6.786 6.733 -1.137 32 HB3 PRO 4 2HB PRO 4 6.225 7.697 -2.538 33 HG2 PRO 4 1HG PRO 4 8.939 6.484 -2.073 34 HG3 PRO 4 2HG PRO 4 7.867 6.333 -3.505 35 HD2 PRO 4 1HD PRO 4 9.862 8.125 -3.484 36 HD3 PRO 4 2HD PRO 4 8.259 8.568 -4.168 37 H SER 5 H SER 5 9.973 8.215 -0.592 38 HA SER 5 HA SER 5 11.172 7.861 1.315 39 HB2 SER 5 1HB SER 5 9.289 9.957 2.410 40 HB3 SER 5 2HB SER 5 10.958 9.623 2.929 41 HG SER 5 HG SER 5 9.983 10.903 0.641 42 H GLU 6 H GLU 6 9.998 5.660 1.458 43 HA GLU 6 HA GLU 6 8.205 5.225 3.687 44 HB2 GLU 6 1HB GLU 6 8.651 2.855 3.258 45 HB3 GLU 6 2HB GLU 6 8.340 3.718 1.749 46 HG2 GLU 6 1HG GLU 6 10.816 3.830 1.343 47 HG3 GLU 6 2HG GLU 6 11.066 2.848 2.791 48 H THR 7 H THR 7 10.729 6.711 4.294 49 HA THR 7 HA THR 7 11.695 5.052 6.563 50 HB THR 7 HB THR 7 14.016 6.036 6.080 51 HG1 THR 7 HG1 THR 7 13.132 7.547 4.497 52 HG21 THR 7 1HG2 THR 7 13.438 3.684 5.631 53 HG22 THR 7 2HG2 THR 7 14.643 4.328 4.498 54 HG23 THR 7 3HG2 THR 7 12.953 4.132 3.979 55 H LEU 8 H LEU 8 12.117 6.227 8.335 56 HA LEU 8 HA LEU 8 11.886 9.210 8.122 57 HB2 LEU 8 1HB LEU 8 10.766 7.422 10.247 58 HB3 LEU 8 2HB LEU 8 10.776 9.173 10.309 59 HG LEU 8 HG LEU 8 9.273 7.510 8.382 60 HD11 LEU 8 1HD1 LEU 8 7.296 8.161 9.536 61 HD12 LEU 8 2HD1 LEU 8 8.293 9.001 10.733 62 HD13 LEU 8 3HD1 LEU 8 8.405 7.235 10.558 63 HD21 LEU 8 1HD2 LEU 8 9.073 10.489 8.974 64 HD22 LEU 8 2HD2 LEU 8 8.161 9.611 7.725 65 HD23 LEU 8 3HD2 LEU 8 9.917 9.816 7.552 66 H CYS 9 H CYS 9 13.112 10.331 9.437 67 HA CYS 9 HA CYS 9 14.998 8.853 11.232 68 HB2 CYS 9 1HB CYS 9 15.704 10.867 9.079 69 HB3 CYS 9 2HB CYS 9 16.832 10.311 10.327 70 H GLY 10 H GLY 10 16.426 10.908 12.259 71 HA2 GLY 10 1HA GLY 10 14.882 11.892 14.260 72 HA3 GLY 10 2HA GLY 10 16.310 12.742 13.669 73 H GLY 11 H GLY 11 13.525 13.483 14.770 74 HA2 GLY 11 1HA GLY 11 12.312 15.464 14.506 75 HA3 GLY 11 2HA GLY 11 13.071 15.721 12.926 76 H GLU 12 H GLU 12 12.433 13.879 11.269 77 HA GLU 12 HA GLU 12 9.602 14.178 10.870 78 HB2 GLU 12 1HB GLU 12 11.555 12.242 9.565 79 HB3 GLU 12 2HB GLU 12 9.951 12.661 8.950 80 HG2 GLU 12 1HG GLU 12 12.268 14.609 9.280 81 HG3 GLU 12 2HG GLU 12 11.785 13.842 7.764 82 H LEU 13 H LEU 13 11.599 11.474 12.068 83 HA LEU 13 HA LEU 13 9.472 9.559 12.168 84 HB2 LEU 13 1HB LEU 13 11.919 9.078 12.258 85 HB3 LEU 13 2HB LEU 13 11.975 9.739 13.878 86 HG LEU 13 HG LEU 13 10.804 7.902 14.792 87 HD11 LEU 13 1HD1 LEU 13 9.874 6.032 13.426 88 HD12 LEU 13 2HD1 LEU 13 10.132 6.977 11.954 89 HD13 LEU 13 3HD1 LEU 13 9.004 7.550 13.193 90 HD21 LEU 13 1HD2 LEU 13 13.143 7.480 14.251 91 HD22 LEU 13 2HD2 LEU 13 12.701 6.942 12.611 92 HD23 LEU 13 3HD2 LEU 13 12.206 5.992 14.024 93 H VAL 14 H VAL 14 10.709 11.976 14.433 94 HA VAL 14 HA VAL 14 9.135 11.196 16.701 95 HB VAL 14 HB VAL 14 10.461 13.818 15.875 96 HG11 VAL 14 1HG1 VAL 14 8.900 13.257 18.422 97 HG12 VAL 14 2HG1 VAL 14 10.031 14.610 18.230 98 HG13 VAL 14 3HG1 VAL 14 8.573 14.524 17.225 99 HG21 VAL 14 1HG2 VAL 14 11.925 11.919 16.531 100 HG22 VAL 14 2HG2 VAL 14 12.031 13.278 17.672 101 HG23 VAL 14 3HG2 VAL 14 11.080 11.833 18.095 102 H ASP 15 H ASP 15 8.605 13.555 14.033 103 HA ASP 15 HA ASP 15 6.147 14.496 15.098 104 HB2 ASP 15 1HB ASP 15 7.636 15.491 13.251 105 HB3 ASP 15 2HB ASP 15 6.802 14.382 12.149 106 H THR 16 H THR 16 6.897 11.812 12.855 107 HA THR 16 HA THR 16 4.143 11.164 12.346 108 HB THR 16 HB THR 16 6.548 9.306 12.350 109 HG1 THR 16 HG1 THR 16 6.816 11.172 11.017 110 HG21 THR 16 1HG2 THR 16 3.849 9.207 10.952 111 HG22 THR 16 2HG2 THR 16 4.449 8.089 12.202 112 HG23 THR 16 3HG2 THR 16 5.217 8.129 10.605 113 H LEU 17 H LEU 17 6.431 10.138 14.915 114 HA LEU 17 HA LEU 17 4.638 8.211 16.092 115 HB2 LEU 17 1HB LEU 17 7.022 9.768 17.074 116 HB3 LEU 17 2HB LEU 17 6.066 8.786 18.188 117 HG LEU 17 HG LEU 17 6.989 7.514 15.643 118 HD11 LEU 17 1HD1 LEU 17 9.114 6.906 16.544 119 HD12 LEU 17 2HD1 LEU 17 8.796 7.820 18.041 120 HD13 LEU 17 3HD1 LEU 17 8.979 8.667 16.486 121 HD21 LEU 17 1HD2 LEU 17 5.506 6.337 17.292 122 HD22 LEU 17 2HD2 LEU 17 6.804 6.468 18.498 123 HD23 LEU 17 3HD2 LEU 17 7.049 5.510 17.018 124 H GLN 18 H GLN 18 5.057 11.724 16.501 125 HA GLN 18 HA GLN 18 3.143 11.987 18.657 126 HB2 GLN 18 1HB GLN 18 4.152 13.918 16.546 127 HB3 GLN 18 2HB GLN 18 3.048 14.392 17.840 128 HG2 GLN 18 1HG GLN 18 4.682 13.847 19.535 129 HG3 GLN 18 2HG GLN 18 5.781 13.176 18.333 130 HE21 GLN 18 1HE2 GLN 18 5.989 16.819 17.075 131 HE22 GLN 18 2HE2 GLN 18 4.980 15.532 16.475 132 H PHE 19 H PHE 19 2.858 11.592 15.167 133 HA PHE 19 HA PHE 19 0.090 12.486 15.118 134 HB2 PHE 19 1HB PHE 19 1.709 12.565 13.181 135 HB3 PHE 19 2HB PHE 19 1.546 10.811 13.053 136 HD1 PHE 19 HD1 PHE 19 -0.149 14.060 12.626 137 HD2 PHE 19 HD2 PHE 19 -0.513 9.793 12.206 138 HE1 PHE 19 HE1 PHE 19 -2.189 14.379 11.233 139 HE2 PHE 19 HE2 PHE 19 -2.551 10.099 10.803 140 HZ PHE 19 HZ PHE 19 -3.396 12.397 10.318 141 H VAL 20 H VAL 20 1.650 9.199 14.850 142 HA VAL 20 HA VAL 20 -0.928 7.928 14.718 143 HB VAL 20 HB VAL 20 0.154 5.813 14.810 144 HG11 VAL 20 1HG1 VAL 20 1.808 5.977 13.055 145 HG12 VAL 20 2HG1 VAL 20 0.513 7.162 12.747 146 HG13 VAL 20 3HG1 VAL 20 2.075 7.698 13.409 147 HG21 VAL 20 1HG2 VAL 20 2.604 7.233 15.845 148 HG22 VAL 20 2HG2 VAL 20 1.559 6.099 16.730 149 HG23 VAL 20 3HG2 VAL 20 2.500 5.522 15.366 150 H CYS 21 H CYS 21 1.152 8.798 17.433 151 HA CYS 21 HA CYS 21 -0.527 7.182 19.297 152 HB2 CYS 21 1HB CYS 21 1.933 8.872 19.869 153 HB3 CYS 21 2HB CYS 21 1.168 7.716 20.963 154 H GLY 22 H GLY 22 -0.272 10.332 18.025 155 HA2 GLY 22 1HA GLY 22 -1.283 12.315 18.641 156 HA3 GLY 22 2HA GLY 22 -2.141 11.445 19.934 157 H ASP 23 H ASP 23 -1.594 13.489 21.033 158 HA ASP 23 HA ASP 23 1.057 14.072 21.959 159 HB2 ASP 23 1HB ASP 23 -0.899 15.631 21.874 160 HB3 ASP 23 2HB ASP 23 -1.637 14.719 23.198 161 H ARG 24 H ARG 24 -0.505 11.253 22.498 162 HA ARG 24 HA ARG 24 -0.471 11.173 25.419 163 HB2 ARG 24 1HB ARG 24 -0.783 8.877 23.469 164 HB3 ARG 24 2HB ARG 24 -1.233 8.892 25.175 165 HG2 ARG 24 1HG ARG 24 -2.544 10.536 22.952 166 HG3 ARG 24 2HG ARG 24 -3.209 9.096 23.718 167 HD2 ARG 24 1HD ARG 24 -4.353 10.904 24.732 168 HD3 ARG 24 2HD ARG 24 -3.161 10.390 25.936 169 HE ARG 24 HE ARG 24 -1.936 12.436 24.464 170 HH11 ARG 24 1HH1 ARG 24 -4.766 12.179 26.547 171 HH12 ARG 24 2HH1 ARG 24 -4.642 13.837 27.073 172 HH21 ARG 24 1HH2 ARG 24 -1.823 14.556 25.196 173 HH22 ARG 24 2HH2 ARG 24 -3.021 15.148 26.307 174 H GLY 25 H GLY 25 1.965 10.892 23.132 175 HA2 GLY 25 1HA GLY 25 4.217 10.743 23.798 176 HA3 GLY 25 2HA GLY 25 3.732 9.927 25.286 177 H PHE 26 H PHE 26 5.908 9.108 23.802 178 HA PHE 26 HA PHE 26 5.141 6.375 23.074 179 HB2 PHE 26 1HB PHE 26 6.259 6.579 20.838 180 HB3 PHE 26 2HB PHE 26 4.741 7.465 20.969 181 HD1 PHE 26 HD1 PHE 26 4.653 9.880 20.934 182 HD2 PHE 26 HD2 PHE 26 8.413 7.809 20.726 183 HE1 PHE 26 HE1 PHE 26 5.778 11.987 20.274 184 HE2 PHE 26 HE2 PHE 26 9.542 9.910 20.029 185 HZ PHE 26 HZ PHE 26 8.225 12.009 19.818 186 H TYR 27 H TYR 27 7.021 5.081 22.508 187 HA TYR 27 HA TYR 27 9.443 5.883 24.069 188 HB2 TYR 27 1HB TYR 27 8.452 3.234 22.925 189 HB3 TYR 27 2HB TYR 27 9.998 3.447 23.745 190 HD1 TYR 27 HD1 TYR 27 6.331 3.132 24.213 191 HD2 TYR 27 HD2 TYR 27 10.097 3.862 26.195 192 HE1 TYR 27 HE1 TYR 27 5.296 2.603 26.417 193 HE2 TYR 27 HE2 TYR 27 9.026 3.357 28.391 194 HH TYR 27 HH TYR 27 7.106 2.738 29.478 195 H PHE 28 H PHE 28 11.569 5.177 22.911 196 HA PHE 28 HA PHE 28 11.253 5.431 19.939 197 HB2 PHE 28 1HB PHE 28 12.461 7.307 21.567 198 HB3 PHE 28 2HB PHE 28 13.828 6.286 21.142 199 HD1 PHE 28 HD1 PHE 28 10.908 8.071 19.561 200 HD2 PHE 28 HD2 PHE 28 14.970 6.710 19.139 201 HE1 PHE 28 HE1 PHE 28 11.079 9.264 17.379 202 HE2 PHE 28 HE2 PHE 28 15.151 7.919 16.970 203 HZ PHE 28 HZ PHE 28 13.202 9.189 16.081 204 H ASN 29 H ASN 29 13.074 4.289 22.743 205 HA ASN 29 HA ASN 29 13.699 1.800 21.285 206 HB2 ASN 29 1HB ASN 29 16.007 1.927 22.238 207 HB3 ASN 29 2HB ASN 29 15.683 3.044 20.927 208 HD21 ASN 29 1HD2 ASN 29 17.468 5.178 23.107 209 HD22 ASN 29 2HD2 ASN 29 17.646 3.989 21.834 210 H ARG 30 H ARG 30 11.829 2.646 23.353 211 HA ARG 30 HA ARG 30 11.026 1.918 25.410 212 HB2 ARG 30 1HB ARG 30 12.134 -0.710 24.416 213 HB3 ARG 30 2HB ARG 30 10.646 -0.401 25.319 214 HG2 ARG 30 1HG ARG 30 9.996 1.055 23.302 215 HG3 ARG 30 2HG ARG 30 11.301 0.203 22.460 216 HD2 ARG 30 1HD ARG 30 8.980 -1.160 23.847 217 HD3 ARG 30 2HD ARG 30 9.003 -0.734 22.125 218 HE ARG 30 HE ARG 30 11.327 -2.274 22.850 219 HH11 ARG 30 1HH1 ARG 30 7.904 -2.620 22.038 220 HH12 ARG 30 2HH1 ARG 30 8.110 -4.254 21.473 221 HH21 ARG 30 1HH2 ARG 30 11.507 -4.364 22.111 222 HH22 ARG 30 2HH2 ARG 30 10.112 -5.219 21.514 223 HA PRO 31 HA PRO 31 15.214 1.088 27.069 224 HB2 PRO 31 1HB PRO 31 16.024 3.384 28.323 225 HB3 PRO 31 2HB PRO 31 16.085 3.163 26.558 226 HG2 PRO 31 1HG PRO 31 13.999 4.586 28.162 227 HG3 PRO 31 2HG PRO 31 14.862 5.134 26.691 228 HD2 PRO 31 1HD PRO 31 12.365 3.982 26.620 229 HD3 PRO 31 2HD PRO 31 13.553 3.807 25.293 230 H ALA 32 H ALA 32 12.848 2.941 28.805 231 HA ALA 32 HA ALA 32 12.105 3.046 30.959 232 HB1 ALA 32 1HB ALA 32 11.301 0.773 30.325 233 HB2 ALA 32 2HB ALA 32 12.795 0.077 30.995 234 HB3 ALA 32 3HB ALA 32 11.641 0.904 32.065 235 H SER 33 H SER 33 14.952 3.590 30.555 236 HA SER 33 HA SER 33 15.797 3.503 33.375 237 HB2 SER 33 1HB SER 33 17.261 2.072 31.134 238 HB3 SER 33 2HB SER 33 18.073 2.598 32.624 239 HG SER 33 HG SER 33 15.714 1.032 32.678 240 H ARG 34 H ARG 34 17.752 4.791 33.725 241 HA ARG 34 HA ARG 34 17.698 7.216 32.058 242 HB2 ARG 34 1HB ARG 34 19.119 6.488 34.633 243 HB3 ARG 34 2HB ARG 34 19.264 8.065 33.865 244 HG2 ARG 34 1HG ARG 34 16.563 6.948 34.672 245 HG3 ARG 34 2HG ARG 34 17.598 7.807 35.821 246 HD2 ARG 34 1HD ARG 34 16.660 8.968 33.167 247 HD3 ARG 34 2HD ARG 34 15.889 9.269 34.736 248 HE ARG 34 HE ARG 34 18.660 9.877 34.950 249 HH11 ARG 34 1HH1 ARG 34 15.750 11.204 33.448 250 HH12 ARG 34 2HH1 ARG 34 16.360 12.836 33.498 251 HH21 ARG 34 1HH2 ARG 34 19.369 11.983 34.975 252 HH22 ARG 34 2HH2 ARG 34 18.371 13.265 34.347 253 H VAL 35 H VAL 35 18.746 5.021 30.647 254 HA VAL 35 HA VAL 35 21.618 4.911 30.817 255 HB VAL 35 HB VAL 35 21.520 3.788 28.594 256 HG11 VAL 35 1HG1 VAL 35 21.093 2.509 30.673 257 HG12 VAL 35 2HG1 VAL 35 19.351 2.808 30.483 258 HG13 VAL 35 3HG1 VAL 35 20.221 1.843 29.277 259 HG21 VAL 35 1HG2 VAL 35 18.521 4.415 28.675 260 HG22 VAL 35 2HG2 VAL 35 19.704 5.073 27.516 261 HG23 VAL 35 3HG2 VAL 35 19.325 3.343 27.509 262 H SER 36 H SER 36 19.425 7.107 29.317 263 HA SER 36 HA SER 36 19.669 9.075 28.229 264 HB2 SER 36 1HB SER 36 21.414 9.471 30.014 265 HB3 SER 36 2HB SER 36 22.640 8.982 28.829 266 HG SER 36 HG SER 36 22.217 11.287 28.952 267 H ARG 37 H ARG 37 20.939 10.222 26.392 268 HA ARG 37 HA ARG 37 20.703 8.423 24.137 269 HB2 ARG 37 1HB ARG 37 21.701 11.294 24.282 270 HB3 ARG 37 2HB ARG 37 21.318 10.415 22.797 271 HG2 ARG 37 1HG ARG 37 18.957 10.164 23.599 272 HG3 ARG 37 2HG ARG 37 19.362 11.181 24.996 273 HD2 ARG 37 1HD ARG 37 20.071 12.990 23.410 274 HD3 ARG 37 2HD ARG 37 19.516 11.988 22.061 275 HE ARG 37 HE ARG 37 17.872 13.477 23.989 276 HH11 ARG 37 1HH1 ARG 37 17.827 11.020 21.443 277 HH12 ARG 37 2HH1 ARG 37 16.117 11.216 21.168 278 HH21 ARG 37 1HH2 ARG 37 15.700 13.666 23.567 279 HH22 ARG 37 2HH2 ARG 37 14.942 12.685 22.346 280 H ARG 38 H ARG 38 23.299 9.008 26.195 281 HA ARG 38 HA ARG 38 25.519 8.962 24.388 282 HB2 ARG 38 1HB ARG 38 26.841 8.367 26.336 283 HB3 ARG 38 2HB ARG 38 25.642 9.584 26.804 284 HG2 ARG 38 1HG ARG 38 24.193 7.715 27.662 285 HG3 ARG 38 2HG ARG 38 25.522 6.594 27.345 286 HD2 ARG 38 1HD ARG 38 26.431 8.882 28.889 287 HD3 ARG 38 2HD ARG 38 25.052 8.091 29.672 288 HE ARG 38 HE ARG 38 27.745 7.045 29.367 289 HH11 ARG 38 1HH1 ARG 38 24.365 6.028 29.763 290 HH12 ARG 38 2HH1 ARG 38 24.833 4.519 30.506 291 HH21 ARG 38 1HH2 ARG 38 28.232 5.100 30.307 292 HH22 ARG 38 2HH2 ARG 38 26.970 4.003 30.795 293 H SER 39 H SER 39 23.320 6.477 25.450 294 HA SER 39 HA SER 39 25.020 4.421 24.093 295 HB2 SER 39 1HB SER 39 23.489 2.891 25.616 296 HB3 SER 39 2HB SER 39 24.982 3.626 26.261 297 HG SER 39 HG SER 39 22.319 4.573 26.553 298 HA PRO 40 HA PRO 40 21.012 4.751 21.959 299 HB2 PRO 40 1HB PRO 40 21.858 4.173 19.418 300 HB3 PRO 40 2HB PRO 40 21.931 5.831 20.103 301 HG2 PRO 40 1HG PRO 40 24.106 3.758 19.926 302 HG3 PRO 40 2HG PRO 40 24.153 5.488 19.462 303 HD2 PRO 40 1HD PRO 40 25.111 4.608 21.839 304 HD3 PRO 40 2HD PRO 40 24.285 6.197 21.686 305 H GLN 41 H GLN 41 19.772 3.009 21.973 306 HA GLN 41 HA GLN 41 20.940 0.313 21.514 307 HB2 GLN 41 1HB GLN 41 18.856 1.277 23.512 308 HB3 GLN 41 2HB GLN 41 19.119 -0.414 23.112 309 HG2 GLN 41 1HG GLN 41 21.472 -0.234 23.867 310 HG3 GLN 41 2HG GLN 41 21.182 1.451 24.321 311 HE21 GLN 41 1HE2 GLN 41 20.270 -1.513 26.857 312 HE22 GLN 41 2HE2 GLN 41 21.146 -1.752 25.364 313 H ARG 42 H ARG 42 19.211 -1.207 20.736 314 HA ARG 42 HA ARG 42 18.161 -0.218 18.337 315 HB2 ARG 42 1HB ARG 42 17.251 -2.664 19.896 316 HB3 ARG 42 2HB ARG 42 16.891 -2.322 18.201 317 HG2 ARG 42 1HG ARG 42 19.626 -2.120 18.240 318 HG3 ARG 42 2HG ARG 42 19.345 -3.398 19.431 319 HD2 ARG 42 1HD ARG 42 18.538 -4.859 17.845 320 HD3 ARG 42 2HD ARG 42 17.781 -3.563 16.897 321 HE ARG 42 HE ARG 42 19.847 -3.022 15.875 322 HH11 ARG 42 1HH1 ARG 42 20.117 -5.941 17.882 323 HH12 ARG 42 2HH1 ARG 42 21.608 -6.427 17.124 324 HH21 ARG 42 1HH2 ARG 42 21.710 -3.712 14.973 325 HH22 ARG 42 2HH2 ARG 42 22.496 -5.185 15.488 326 H GLY 43 H GLY 43 16.202 0.342 17.551 327 HA2 GLY 43 1HA GLY 43 13.799 0.300 19.095 328 HA3 GLY 43 2HA GLY 43 14.565 1.895 19.178 329 H ILE 44 H ILE 44 12.452 2.423 18.089 330 HA ILE 44 HA ILE 44 11.777 1.614 15.502 331 HB ILE 44 HB ILE 44 10.349 2.976 17.058 332 HG12 ILE 44 1HG1 ILE 44 9.491 4.601 15.311 333 HG13 ILE 44 2HG1 ILE 44 10.779 4.066 14.264 334 HG21 ILE 44 1HG2 ILE 44 12.182 4.621 17.700 335 HG22 ILE 44 2HG2 ILE 44 11.939 5.402 16.133 336 HG23 ILE 44 3HG2 ILE 44 10.616 5.350 17.318 337 HD11 ILE 44 1HD1 ILE 44 8.607 2.288 15.396 338 HD12 ILE 44 2HD1 ILE 44 8.669 2.940 13.744 339 HD13 ILE 44 3HD1 ILE 44 9.901 1.779 14.286 340 H VAL 45 H VAL 45 14.211 3.989 16.461 341 HA VAL 45 HA VAL 45 14.562 5.144 13.901 342 HB VAL 45 HB VAL 45 15.519 6.238 15.780 343 HG11 VAL 45 1HG1 VAL 45 15.935 4.379 17.277 344 HG12 VAL 45 2HG1 VAL 45 17.230 3.767 16.215 345 HG13 VAL 45 3HG1 VAL 45 17.426 5.309 17.071 346 HG21 VAL 45 1HG2 VAL 45 17.820 5.181 14.101 347 HG22 VAL 45 2HG2 VAL 45 16.698 6.461 13.595 348 HG23 VAL 45 3HG2 VAL 45 17.765 6.715 14.997 349 H GLU 46 H GLU 46 15.845 2.055 15.205 350 HA GLU 46 HA GLU 46 17.574 1.718 12.871 351 HB2 GLU 46 1HB GLU 46 16.628 -0.396 14.824 352 HB3 GLU 46 2HB GLU 46 17.950 -0.504 13.652 353 HG2 GLU 46 1HG GLU 46 18.913 1.564 14.954 354 HG3 GLU 46 2HG GLU 46 17.815 1.027 16.240 355 H GLU 47 H GLU 47 14.263 1.086 13.758 356 HA GLU 47 HA GLU 47 13.881 -0.837 11.582 357 HB2 GLU 47 1HB GLU 47 11.980 0.440 13.581 358 HB3 GLU 47 2HB GLU 47 11.514 -0.790 12.388 359 HG2 GLU 47 1HG GLU 47 13.032 -2.410 13.358 360 HG3 GLU 47 2HG GLU 47 13.710 -1.198 14.453 361 H CYS 48 H CYS 48 13.444 2.631 12.028 362 HA CYS 48 HA CYS 48 12.119 2.672 9.354 363 HB2 CYS 48 1HB CYS 48 11.020 3.521 11.654 364 HB3 CYS 48 2HB CYS 48 11.801 5.021 11.115 365 H CYS 49 H CYS 49 14.978 3.856 10.979 366 HA CYS 49 HA CYS 49 15.341 5.833 8.755 367 HB2 CYS 49 1HB CYS 49 15.660 6.614 11.123 368 HB3 CYS 49 2HB CYS 49 17.024 5.506 11.249 369 H PHE 50 H PHE 50 16.860 3.068 10.429 370 HA PHE 50 HA PHE 50 18.892 2.857 8.290 371 HB2 PHE 50 1HB PHE 50 18.381 1.215 10.790 372 HB3 PHE 50 2HB PHE 50 19.690 0.915 9.652 373 HD1 PHE 50 HD1 PHE 50 18.396 3.296 12.189 374 HD2 PHE 50 HD2 PHE 50 21.678 2.301 9.610 375 HE1 PHE 50 HE1 PHE 50 19.821 4.875 13.433 376 HE2 PHE 50 HE2 PHE 50 23.124 3.919 10.843 377 HZ PHE 50 HZ PHE 50 22.182 5.212 12.768 378 H ARG 51 H ARG 51 15.736 1.785 8.921 379 HA ARG 51 HA ARG 51 15.833 -0.024 6.575 380 HB2 ARG 51 1HB ARG 51 14.582 -0.739 9.263 381 HB3 ARG 51 2HB ARG 51 14.213 -1.569 7.746 382 HG2 ARG 51 1HG ARG 51 16.960 -1.454 9.053 383 HG3 ARG 51 2HG ARG 51 15.819 -2.804 9.181 384 HD2 ARG 51 1HD ARG 51 15.876 -3.086 6.725 385 HD3 ARG 51 2HD ARG 51 17.031 -1.743 6.600 386 HE ARG 51 HE ARG 51 18.063 -3.663 8.413 387 HH11 ARG 51 1HH1 ARG 51 17.480 -3.293 4.956 388 HH12 ARG 51 2HH1 ARG 51 18.770 -4.382 4.521 389 HH21 ARG 51 1HH2 ARG 51 19.703 -5.035 7.787 390 HH22 ARG 51 2HH2 ARG 51 20.006 -5.350 6.101 391 H SER 52 H SER 52 13.223 -0.589 6.344 392 HA SER 52 HA SER 52 11.929 2.080 6.300 393 HB2 SER 52 1HB SER 52 10.499 0.924 4.613 394 HB3 SER 52 2HB SER 52 12.221 0.918 4.174 395 HG SER 52 HG SER 52 10.865 -1.210 5.481 396 H CYS 53 H CYS 53 9.836 2.332 7.207 397 HA CYS 53 HA CYS 53 8.632 -0.077 8.458 398 HB2 CYS 53 1HB CYS 53 8.408 0.804 10.563 399 HB3 CYS 53 2HB CYS 53 10.039 1.285 10.141 400 H ASP 54 H ASP 54 6.427 0.307 9.145 401 HA ASP 54 HA ASP 54 5.008 2.265 7.375 402 HB2 ASP 54 1HB ASP 54 4.213 -0.432 8.543 403 HB3 ASP 54 2HB ASP 54 3.044 0.687 7.824 404 H LEU 55 H LEU 55 2.955 3.096 8.380 405 HA LEU 55 HA LEU 55 3.381 4.277 10.921 406 HB2 LEU 55 1HB LEU 55 1.487 5.368 10.463 407 HB3 LEU 55 2HB LEU 55 1.560 4.516 8.915 408 HG LEU 55 HG LEU 55 -0.076 3.369 11.152 409 HD11 LEU 55 1HD1 LEU 55 -0.740 5.716 10.961 410 HD12 LEU 55 2HD1 LEU 55 -1.989 4.657 10.280 411 HD13 LEU 55 3HD1 LEU 55 -0.895 5.549 9.196 412 HD21 LEU 55 1HD2 LEU 55 -0.374 3.345 8.106 413 HD22 LEU 55 2HD2 LEU 55 -1.381 2.463 9.275 414 HD23 LEU 55 3HD2 LEU 55 0.320 2.021 9.063 415 H ALA 56 H ALA 56 2.093 1.198 10.005 416 HA ALA 56 HA ALA 56 0.711 0.649 12.452 417 HB1 ALA 56 1HB ALA 56 0.262 -0.293 10.189 418 HB2 ALA 56 2HB ALA 56 1.761 -1.245 10.329 419 HB3 ALA 56 3HB ALA 56 0.422 -1.532 11.473 420 H LEU 57 H LEU 57 3.955 -0.188 11.178 421 HA LEU 57 HA LEU 57 4.766 -1.773 13.452 422 HB2 LEU 57 1HB LEU 57 5.818 -1.750 11.172 423 HB3 LEU 57 2HB LEU 57 6.434 -0.139 11.488 424 HG LEU 57 HG LEU 57 7.210 -2.508 13.195 425 HD11 LEU 57 1HD1 LEU 57 8.559 -1.524 10.653 426 HD12 LEU 57 2HD1 LEU 57 7.668 -3.052 10.841 427 HD13 LEU 57 3HD1 LEU 57 9.173 -2.786 11.744 428 HD21 LEU 57 1HD2 LEU 57 7.870 -0.394 14.180 429 HD22 LEU 57 2HD2 LEU 57 8.569 0.152 12.642 430 HD23 LEU 57 3HD2 LEU 57 9.303 -1.198 13.538 431 H LEU 58 H LEU 58 5.029 1.615 12.456 432 HA LEU 58 HA LEU 58 6.580 2.572 14.567 433 HB2 LEU 58 1HB LEU 58 6.064 3.511 12.331 434 HB3 LEU 58 2HB LEU 58 4.470 3.935 12.913 435 HG LEU 58 HG LEU 58 6.784 4.965 14.414 436 HD11 LEU 58 1HD1 LEU 58 6.953 6.860 12.769 437 HD12 LEU 58 2HD1 LEU 58 5.948 5.907 11.655 438 HD13 LEU 58 3HD1 LEU 58 7.545 5.302 12.151 439 HD21 LEU 58 1HD2 LEU 58 4.631 5.575 15.184 440 HD22 LEU 58 2HD2 LEU 58 4.076 5.980 13.546 441 HD23 LEU 58 3HD2 LEU 58 5.276 7.000 14.358 442 H GLU 59 H GLU 59 3.078 2.205 14.331 443 HA GLU 59 HA GLU 59 2.367 3.686 16.639 444 HB2 GLU 59 1HB GLU 59 0.881 2.920 14.821 445 HB3 GLU 59 2HB GLU 59 1.011 1.260 15.408 446 HG2 GLU 59 1HG GLU 59 -0.021 3.496 17.164 447 HG3 GLU 59 2HG GLU 59 -1.077 2.650 16.026 448 HE2 GLU 59 HE2 GLU 59 -0.718 2.841 18.869 449 H THR 60 H THR 60 3.734 0.445 16.398 450 HA THR 60 HA THR 60 2.772 -0.525 18.892 451 HB THR 60 HB THR 60 4.495 -2.208 18.765 452 HG1 THR 60 HG1 THR 60 5.678 -0.798 16.593 453 HG21 THR 60 1HG2 THR 60 3.725 -1.493 15.904 454 HG22 THR 60 2HG2 THR 60 2.590 -2.213 17.066 455 HG23 THR 60 3HG2 THR 60 4.051 -3.106 16.572 456 H TYR 61 H TYR 61 5.143 1.887 18.212 457 HA TYR 61 HA TYR 61 6.502 1.576 20.794 458 HB2 TYR 61 1HB TYR 61 6.786 3.367 18.402 459 HB3 TYR 61 2HB TYR 61 7.512 3.843 19.939 460 HD1 TYR 61 HD1 TYR 61 9.408 2.707 20.867 461 HD2 TYR 61 HD2 TYR 61 7.563 1.234 17.268 462 HE1 TYR 61 HE1 TYR 61 11.336 1.170 20.504 463 HE2 TYR 61 HE2 TYR 61 9.510 -0.293 16.899 464 HH TYR 61 HH TYR 61 11.600 -0.912 17.640 465 H CYS 62 H CYS 62 3.474 2.829 20.091 466 HA CYS 62 HA CYS 62 3.566 5.343 21.458 467 HB2 CYS 62 1HB CYS 62 1.301 3.328 21.261 468 HB3 CYS 62 2HB CYS 62 1.138 4.989 21.837 469 H ALA 63 H ALA 63 3.096 5.940 23.599 470 HA ALA 63 HA ALA 63 4.177 4.049 25.523 471 HB1 ALA 63 1HB ALA 63 2.998 6.832 25.879 472 HB2 ALA 63 2HB ALA 63 3.867 5.910 27.131 473 HB3 ALA 63 3HB ALA 63 4.721 6.424 25.658 474 H THR 64 H THR 64 1.039 4.834 24.398 475 HA THR 64 HA THR 64 -0.152 2.866 26.168 476 HB THR 64 HB THR 64 -0.263 5.133 27.438 477 HG1 THR 64 HG1 THR 64 -2.426 4.734 28.040 478 HG21 THR 64 1HG2 THR 64 -2.445 5.668 25.422 479 HG22 THR 64 2HG2 THR 64 -0.849 6.463 25.387 480 HG23 THR 64 3HG2 THR 64 -1.934 6.708 26.772 481 HA PRO 65 HA PRO 65 -2.058 2.507 22.203 482 HB2 PRO 65 1HB PRO 65 -4.355 1.139 22.687 483 HB3 PRO 65 2HB PRO 65 -2.745 0.395 22.959 484 HG2 PRO 65 1HG PRO 65 -4.570 1.735 24.956 485 HG3 PRO 65 2HG PRO 65 -3.798 0.118 25.049 486 HD2 PRO 65 1HD PRO 65 -2.709 2.308 26.245 487 HD3 PRO 65 2HD PRO 65 -1.686 1.029 25.511 488 H ALA 66 H ALA 66 -3.807 3.166 20.828 489 HA ALA 66 HA ALA 66 -5.128 5.629 21.616 490 HB1 ALA 66 1HB ALA 66 -6.273 5.332 19.378 491 HB2 ALA 66 2HB ALA 66 -4.490 5.296 19.275 492 HB3 ALA 66 3HB ALA 66 -5.431 3.781 19.202 493 H LYS 67 H LYS 67 -7.438 5.913 21.774 494 HA LYS 67 HA LYS 67 -9.011 3.399 21.950 495 HB2 LYS 67 1HB LYS 67 -8.388 3.938 24.288 496 HB3 LYS 67 2HB LYS 67 -9.084 5.558 24.077 497 HG2 LYS 67 1HG LYS 67 -11.233 4.321 23.374 498 HG3 LYS 67 2HG LYS 67 -10.509 2.892 24.110 499 HD2 LYS 67 1HD LYS 67 -10.448 3.928 26.267 500 HD3 LYS 67 2HD LYS 67 -10.772 5.533 25.582 501 HE2 LYS 67 1HE LYS 67 -12.718 3.193 25.517 502 HE3 LYS 67 2HE LYS 67 -12.776 4.537 26.676 503 HZ1 LYS 67 1HZ LYS 67 -13.063 4.776 23.723 504 HZ2 LYS 67 2HZ LYS 67 -13.038 6.052 24.766 505 HZ3 LYS 67 3HZ LYS 67 -14.271 4.957 24.833 506 H SER 68 H SER 68 -10.427 3.631 20.436 507 HA SER 68 HA SER 68 -12.264 4.395 19.284 508 HB2 SER 68 1HB SER 68 -12.662 6.314 21.613 509 HB3 SER 68 2HB SER 68 -13.871 5.850 20.400 510 HG SER 68 HG SER 68 -13.656 3.682 21.168 511 H GLU 69 H GLU 69 -9.711 5.369 18.866 512 HA GLU 69 HA GLU 69 -10.279 7.981 17.520 513 HB2 GLU 69 1HB GLU 69 -7.688 6.959 18.760 514 HB3 GLU 69 2HB GLU 69 -7.810 8.403 17.754 515 HG2 GLU 69 1HG GLU 69 -8.888 9.625 19.414 516 HG3 GLU 69 2HG GLU 69 -9.453 8.184 20.261 Start of MODEL 4 1 H1 ALA 1 1H ALA 1 7.495 15.755 -6.806 2 H2 ALA 1 2H ALA 1 8.925 15.909 -5.999 3 H3 ALA 1 3H ALA 1 8.810 16.401 -7.569 4 HA ALA 1 HA ALA 1 8.408 14.131 -8.294 5 HB1 ALA 1 1HB ALA 1 10.957 14.503 -6.630 6 HB2 ALA 1 2HB ALA 1 10.724 13.287 -7.907 7 HB3 ALA 1 3HB ALA 1 10.740 15.016 -8.323 8 H TYR 2 H TYR 2 8.122 11.920 -7.762 9 HA TYR 2 HA TYR 2 6.983 11.466 -5.136 10 HB2 TYR 2 1HB TYR 2 6.153 10.363 -7.193 11 HB3 TYR 2 2HB TYR 2 7.702 9.523 -7.366 12 HD1 TYR 2 HD1 TYR 2 4.810 9.951 -4.987 13 HD2 TYR 2 HD2 TYR 2 8.042 7.419 -6.294 14 HE1 TYR 2 HE1 TYR 2 4.005 8.132 -3.482 15 HE2 TYR 2 HE2 TYR 2 7.210 5.601 -4.792 16 HH TYR 2 HH TYR 2 5.625 4.978 -3.236 17 H ARG 3 H ARG 3 7.732 10.138 -3.487 18 HA ARG 3 HA ARG 3 10.462 8.977 -3.710 19 HB2 ARG 3 1HB ARG 3 9.365 10.710 -1.458 20 HB3 ARG 3 2HB ARG 3 10.750 9.627 -1.262 21 HG2 ARG 3 1HG ARG 3 12.074 10.891 -2.796 22 HG3 ARG 3 2HG ARG 3 10.675 11.852 -3.315 23 HD2 ARG 3 1HD ARG 3 12.041 13.150 -1.772 24 HD3 ARG 3 2HD ARG 3 10.459 12.794 -1.064 25 HE ARG 3 HE ARG 3 11.444 11.442 0.550 26 HH11 ARG 3 1HH1 ARG 3 13.936 12.437 -1.755 27 HH12 ARG 3 2HH1 ARG 3 15.233 11.893 -0.722 28 HH21 ARG 3 1HH2 ARG 3 13.149 10.780 1.803 29 HH22 ARG 3 2HH2 ARG 3 14.791 10.970 1.251 30 HA PRO 4 HA PRO 4 7.821 5.751 -2.192 31 HB2 PRO 4 1HB PRO 4 9.560 4.054 -0.922 32 HB3 PRO 4 2HB PRO 4 9.494 4.215 -2.706 33 HG2 PRO 4 1HG PRO 4 11.366 5.563 -0.761 34 HG3 PRO 4 2HG PRO 4 11.757 4.664 -2.263 35 HD2 PRO 4 1HD PRO 4 11.597 7.366 -2.249 36 HD3 PRO 4 2HD PRO 4 10.987 6.410 -3.644 37 H SER 5 H SER 5 10.015 7.422 -0.028 38 HA SER 5 HA SER 5 9.861 8.127 2.110 39 HB2 SER 5 1HB SER 5 6.894 8.135 1.543 40 HB3 SER 5 2HB SER 5 7.794 9.217 2.628 41 HG SER 5 HG SER 5 7.540 9.227 -0.133 42 H GLU 6 H GLU 6 9.816 5.229 1.999 43 HA GLU 6 HA GLU 6 8.010 4.420 4.183 44 HB2 GLU 6 1HB GLU 6 10.187 2.929 2.672 45 HB3 GLU 6 2HB GLU 6 9.113 2.208 3.876 46 HG2 GLU 6 1HG GLU 6 7.163 2.705 2.468 47 HG3 GLU 6 2HG GLU 6 8.222 3.428 1.250 48 H THR 7 H THR 7 10.564 6.326 4.264 49 HA THR 7 HA THR 7 11.661 5.114 6.744 50 HB THR 7 HB THR 7 13.910 6.100 6.084 51 HG1 THR 7 HG1 THR 7 14.194 6.506 3.870 52 HG21 THR 7 1HG2 THR 7 14.556 4.246 4.666 53 HG22 THR 7 2HG2 THR 7 12.860 3.955 4.213 54 HG23 THR 7 3HG2 THR 7 13.399 3.684 5.889 55 H LEU 8 H LEU 8 12.208 6.485 8.334 56 HA LEU 8 HA LEU 8 11.796 9.422 7.898 57 HB2 LEU 8 1HB LEU 8 10.848 7.803 10.256 58 HB3 LEU 8 2HB LEU 8 10.739 9.544 10.108 59 HG LEU 8 HG LEU 8 9.312 7.574 8.410 60 HD11 LEU 8 1HD1 LEU 8 8.309 9.149 10.715 61 HD12 LEU 8 2HD1 LEU 8 8.547 7.388 10.640 62 HD13 LEU 8 3HD1 LEU 8 7.319 8.160 9.624 63 HD21 LEU 8 1HD2 LEU 8 8.007 9.482 7.610 64 HD22 LEU 8 2HD2 LEU 8 9.729 9.869 7.405 65 HD23 LEU 8 3HD2 LEU 8 8.818 10.551 8.776 66 H CYS 9 H CYS 9 13.003 10.671 9.310 67 HA CYS 9 HA CYS 9 14.581 9.320 11.383 68 HB2 CYS 9 1HB CYS 9 15.726 9.360 8.903 69 HB3 CYS 9 2HB CYS 9 16.345 10.870 9.581 70 H GLY 10 H GLY 10 15.769 10.813 12.755 71 HA2 GLY 10 1HA GLY 10 15.863 12.773 13.979 72 HA3 GLY 10 2HA GLY 10 15.698 13.618 12.429 73 H GLY 11 H GLY 11 14.266 15.185 12.835 74 HA2 GLY 11 1HA GLY 11 12.058 14.944 14.602 75 HA3 GLY 11 2HA GLY 11 12.286 16.197 13.379 76 H GLU 12 H GLU 12 12.341 13.885 11.254 77 HA GLU 12 HA GLU 12 9.536 14.076 10.600 78 HB2 GLU 12 1HB GLU 12 11.603 12.060 9.645 79 HB3 GLU 12 2HB GLU 12 10.059 12.396 8.872 80 HG2 GLU 12 1HG GLU 12 10.785 14.631 8.287 81 HG3 GLU 12 2HG GLU 12 12.310 14.394 9.156 82 H LEU 13 H LEU 13 11.595 11.655 12.168 83 HA LEU 13 HA LEU 13 9.572 9.607 12.203 84 HB2 LEU 13 1HB LEU 13 12.045 9.261 12.323 85 HB3 LEU 13 2HB LEU 13 12.041 9.927 13.947 86 HG LEU 13 HG LEU 13 10.924 8.037 14.837 87 HD11 LEU 13 1HD1 LEU 13 10.092 6.150 13.441 88 HD12 LEU 13 2HD1 LEU 13 10.377 7.107 11.977 89 HD13 LEU 13 3HD1 LEU 13 9.185 7.641 13.175 90 HD21 LEU 13 1HD2 LEU 13 13.276 7.679 14.403 91 HD22 LEU 13 2HD2 LEU 13 12.949 7.214 12.712 92 HD23 LEU 13 3HD2 LEU 13 12.413 6.171 14.041 93 H VAL 14 H VAL 14 10.744 12.074 14.471 94 HA VAL 14 HA VAL 14 9.070 11.382 16.675 95 HB VAL 14 HB VAL 14 10.258 14.063 15.809 96 HG11 VAL 14 1HG1 VAL 14 8.791 13.306 18.358 97 HG12 VAL 14 2HG1 VAL 14 9.903 14.689 18.264 98 HG13 VAL 14 3HG1 VAL 14 8.447 14.649 17.256 99 HG21 VAL 14 1HG2 VAL 14 11.914 12.302 16.340 100 HG22 VAL 14 2HG2 VAL 14 11.932 13.590 17.560 101 HG23 VAL 14 3HG2 VAL 14 11.132 12.041 17.916 102 H ASP 15 H ASP 15 8.569 13.635 13.915 103 HA ASP 15 HA ASP 15 6.039 14.610 14.695 104 HB2 ASP 15 1HB ASP 15 7.133 15.666 12.881 105 HB3 ASP 15 2HB ASP 15 7.343 14.140 12.014 106 H THR 16 H THR 16 6.828 11.660 12.797 107 HA THR 16 HA THR 16 4.049 11.017 12.396 108 HB THR 16 HB THR 16 6.463 9.175 12.358 109 HG1 THR 16 HG1 THR 16 6.698 10.936 10.933 110 HG21 THR 16 1HG2 THR 16 5.072 7.913 10.739 111 HG22 THR 16 2HG2 THR 16 3.711 9.004 11.078 112 HG23 THR 16 3HG2 THR 16 4.355 7.952 12.362 113 H LEU 17 H LEU 17 6.424 10.115 14.934 114 HA LEU 17 HA LEU 17 4.678 8.236 16.247 115 HB2 LEU 17 1HB LEU 17 7.046 9.883 17.134 116 HB3 LEU 17 2HB LEU 17 6.153 8.865 18.267 117 HG LEU 17 HG LEU 17 7.099 7.634 15.706 118 HD11 LEU 17 1HD1 LEU 17 9.252 7.110 16.636 119 HD12 LEU 17 2HD1 LEU 17 8.887 8.058 18.097 120 HD13 LEU 17 3HD1 LEU 17 9.043 8.863 16.515 121 HD21 LEU 17 1HD2 LEU 17 5.681 6.385 17.364 122 HD22 LEU 17 2HD2 LEU 17 6.989 6.555 18.555 123 HD23 LEU 17 3HD2 LEU 17 7.253 5.626 17.061 124 H GLN 18 H GLN 18 5.095 11.768 16.533 125 HA GLN 18 HA GLN 18 3.261 12.112 18.732 126 HB2 GLN 18 1HB GLN 18 4.126 13.946 16.473 127 HB3 GLN 18 2HB GLN 18 3.083 14.467 17.795 128 HG2 GLN 18 1HG GLN 18 4.813 14.163 19.408 129 HG3 GLN 18 2HG GLN 18 5.838 13.312 18.255 130 HE21 GLN 18 1HE2 GLN 18 6.330 17.189 18.658 131 HE22 GLN 18 2HE2 GLN 18 5.525 16.147 19.821 132 H PHE 19 H PHE 19 2.818 11.585 15.263 133 HA PHE 19 HA PHE 19 0.026 12.421 15.350 134 HB2 PHE 19 1HB PHE 19 1.397 12.579 13.299 135 HB3 PHE 19 2HB PHE 19 1.514 10.818 13.248 136 HD1 PHE 19 HD1 PHE 19 -0.874 13.675 13.051 137 HD2 PHE 19 HD2 PHE 19 -0.242 9.478 12.347 138 HE1 PHE 19 HE1 PHE 19 -3.023 13.568 11.797 139 HE2 PHE 19 HE2 PHE 19 -2.387 9.359 11.086 140 HZ PHE 19 HZ PHE 19 -3.786 11.407 10.811 141 H VAL 20 H VAL 20 1.665 9.175 15.078 142 HA VAL 20 HA VAL 20 -0.899 7.863 15.090 143 HB VAL 20 HB VAL 20 0.216 5.765 15.087 144 HG11 VAL 20 1HG1 VAL 20 1.806 5.962 13.266 145 HG12 VAL 20 2HG1 VAL 20 0.453 7.095 13.013 146 HG13 VAL 20 3HG1 VAL 20 2.023 7.692 13.599 147 HG21 VAL 20 1HG2 VAL 20 2.684 7.200 16.023 148 HG22 VAL 20 2HG2 VAL 20 1.701 6.010 16.908 149 HG23 VAL 20 3HG2 VAL 20 2.592 5.503 15.488 150 H CYS 21 H CYS 21 1.306 8.803 17.679 151 HA CYS 21 HA CYS 21 -0.292 7.194 19.642 152 HB2 CYS 21 1HB CYS 21 2.385 8.579 20.013 153 HB3 CYS 21 2HB CYS 21 1.601 7.479 21.147 154 H GLY 22 H GLY 22 0.153 10.401 18.556 155 HA2 GLY 22 1HA GLY 22 -0.746 12.368 19.471 156 HA3 GLY 22 2HA GLY 22 -1.089 11.514 20.994 157 H ASP 23 H ASP 23 0.256 14.062 20.718 158 HA ASP 23 HA ASP 23 3.108 13.804 20.938 159 HB2 ASP 23 1HB ASP 23 1.815 15.889 20.392 160 HB3 ASP 23 2HB ASP 23 1.265 15.938 22.076 161 H ARG 24 H ARG 24 0.680 12.816 23.047 162 HA ARG 24 HA ARG 24 1.693 13.673 25.557 163 HB2 ARG 24 1HB ARG 24 0.098 11.142 25.105 164 HB3 ARG 24 2HB ARG 24 0.112 12.198 26.527 165 HG2 ARG 24 1HG ARG 24 -0.709 13.973 24.618 166 HG3 ARG 24 2HG ARG 24 -1.349 12.463 23.939 167 HD2 ARG 24 1HD ARG 24 -3.098 13.224 25.266 168 HD3 ARG 24 2HD ARG 24 -2.276 12.080 26.352 169 HE ARG 24 HE ARG 24 -1.091 14.611 26.733 170 HH11 ARG 24 1HH1 ARG 24 -4.267 13.164 27.263 171 HH12 ARG 24 2HH1 ARG 24 -4.652 14.259 28.566 172 HH21 ARG 24 1HH2 ARG 24 -1.652 15.974 28.402 173 HH22 ARG 24 2HH2 ARG 24 -3.195 15.822 29.194 174 H GLY 25 H GLY 25 2.837 11.112 23.489 175 HA2 GLY 25 1HA GLY 25 5.228 10.773 24.554 176 HA3 GLY 25 2HA GLY 25 4.299 9.893 25.763 177 H PHE 26 H PHE 26 6.437 9.072 23.933 178 HA PHE 26 HA PHE 26 5.222 6.563 23.036 179 HB2 PHE 26 1HB PHE 26 6.257 6.839 20.739 180 HB3 PHE 26 2HB PHE 26 4.816 7.814 21.040 181 HD1 PHE 26 HD1 PHE 26 4.862 10.198 21.015 182 HD2 PHE 26 HD2 PHE 26 8.527 7.952 20.771 183 HE1 PHE 26 HE1 PHE 26 6.094 12.278 20.444 184 HE2 PHE 26 HE2 PHE 26 9.767 10.036 20.192 185 HZ PHE 26 HZ PHE 26 8.554 12.199 20.045 186 H TYR 27 H TYR 27 6.974 5.105 22.240 187 HA TYR 27 HA TYR 27 9.412 5.446 23.909 188 HB2 TYR 27 1HB TYR 27 8.231 3.184 22.240 189 HB3 TYR 27 2HB TYR 27 9.836 3.103 22.940 190 HD1 TYR 27 HD1 TYR 27 9.464 1.168 24.236 191 HD2 TYR 27 HD2 TYR 27 6.838 4.522 24.797 192 HE1 TYR 27 HE1 TYR 27 8.576 0.125 26.323 193 HE2 TYR 27 HE2 TYR 27 5.957 3.470 26.871 194 HH TYR 27 HH TYR 27 5.935 1.604 28.188 195 H PHE 28 H PHE 28 11.495 5.487 22.915 196 HA PHE 28 HA PHE 28 11.487 5.733 19.926 197 HB2 PHE 28 1HB PHE 28 11.974 7.812 21.577 198 HB3 PHE 28 2HB PHE 28 13.589 7.112 21.542 199 HD1 PHE 28 HD1 PHE 28 10.829 8.318 19.305 200 HD2 PHE 28 HD2 PHE 28 15.044 7.577 19.716 201 HE1 PHE 28 HE1 PHE 28 11.237 9.472 17.136 202 HE2 PHE 28 HE2 PHE 28 15.460 8.742 17.556 203 HZ PHE 28 HZ PHE 28 13.553 9.690 16.258 204 H ASN 29 H ASN 29 12.955 4.575 22.881 205 HA ASN 29 HA ASN 29 14.731 2.779 21.332 206 HB2 ASN 29 1HB ASN 29 16.590 3.363 22.878 207 HB3 ASN 29 2HB ASN 29 16.116 4.672 21.805 208 HD21 ASN 29 1HD2 ASN 29 16.481 6.475 24.839 209 HD22 ASN 29 2HD2 ASN 29 17.393 5.824 23.499 210 H ARG 30 H ARG 30 12.233 2.608 22.905 211 HA ARG 30 HA ARG 30 11.275 1.152 24.390 212 HB2 ARG 30 1HB ARG 30 13.667 -0.550 23.743 213 HB3 ARG 30 2HB ARG 30 12.047 -1.093 24.206 214 HG2 ARG 30 1HG ARG 30 11.206 0.122 22.165 215 HG3 ARG 30 2HG ARG 30 12.909 0.304 21.683 216 HD2 ARG 30 1HD ARG 30 11.606 -2.347 22.314 217 HD3 ARG 30 2HD ARG 30 11.700 -1.666 20.675 218 HE ARG 30 HE ARG 30 14.303 -1.536 21.513 219 HH11 ARG 30 1HH1 ARG 30 12.001 -4.223 21.397 220 HH12 ARG 30 2HH1 ARG 30 13.263 -5.409 21.211 221 HH21 ARG 30 1HH2 ARG 30 15.826 -3.073 21.267 222 HH22 ARG 30 2HH2 ARG 30 15.408 -4.766 21.144 223 HA PRO 31 HA PRO 31 14.553 1.959 27.401 224 HB2 PRO 31 1HB PRO 31 13.584 3.983 28.998 225 HB3 PRO 31 2HB PRO 31 14.341 4.260 27.410 226 HG2 PRO 31 1HG PRO 31 11.413 4.106 28.057 227 HG3 PRO 31 2HG PRO 31 12.293 5.340 27.103 228 HD2 PRO 31 1HD PRO 31 10.971 3.251 25.936 229 HD3 PRO 31 2HD PRO 31 12.474 3.938 25.244 230 H ALA 32 H ALA 32 11.160 2.086 28.282 231 HA ALA 32 HA ALA 32 9.914 1.301 30.012 232 HB1 ALA 32 1HB ALA 32 10.227 -1.061 30.594 233 HB2 ALA 32 2HB ALA 32 10.477 -0.822 28.848 234 HB3 ALA 32 3HB ALA 32 11.877 -1.024 29.929 235 H SER 33 H SER 33 12.243 2.954 30.745 236 HA SER 33 HA SER 33 12.058 2.639 33.652 237 HB2 SER 33 1HB SER 33 14.693 2.285 32.159 238 HB3 SER 33 2HB SER 33 14.581 2.668 33.885 239 HG SER 33 HG SER 33 13.127 0.479 32.902 240 H ARG 34 H ARG 34 12.990 4.530 34.707 241 HA ARG 34 HA ARG 34 13.298 6.846 32.830 242 HB2 ARG 34 1HB ARG 34 12.226 8.241 34.531 243 HB3 ARG 34 2HB ARG 34 11.172 6.929 34.004 244 HG2 ARG 34 1HG ARG 34 11.744 5.650 36.060 245 HG3 ARG 34 2HG ARG 34 12.735 7.016 36.612 246 HD2 ARG 34 1HD ARG 34 10.758 8.475 36.606 247 HD3 ARG 34 2HD ARG 34 9.770 7.162 35.942 248 HE ARG 34 HE ARG 34 9.698 6.115 38.024 249 HH11 ARG 34 1HH1 ARG 34 11.841 8.923 38.235 250 HH12 ARG 34 2HH1 ARG 34 11.851 8.893 39.978 251 HH21 ARG 34 1HH2 ARG 34 9.778 6.136 40.237 252 HH22 ARG 34 2HH2 ARG 34 10.718 7.333 41.085 253 H VAL 35 H VAL 35 15.261 4.975 34.217 254 HA VAL 35 HA VAL 35 16.901 7.112 35.509 255 HB VAL 35 HB VAL 35 17.932 5.348 36.888 256 HG11 VAL 35 1HG1 VAL 35 15.906 6.591 37.693 257 HG12 VAL 35 2HG1 VAL 35 14.897 5.246 37.104 258 HG13 VAL 35 3HG1 VAL 35 16.073 4.973 38.410 259 HG21 VAL 35 1HG2 VAL 35 15.862 3.444 35.680 260 HG22 VAL 35 2HG2 VAL 35 17.613 3.397 35.372 261 HG23 VAL 35 3HG2 VAL 35 16.990 3.067 36.996 262 H SER 36 H SER 36 16.664 4.853 32.984 263 HA SER 36 HA SER 36 19.426 4.205 32.687 264 HB2 SER 36 1HB SER 36 17.220 4.144 30.593 265 HB3 SER 36 2HB SER 36 18.723 3.190 30.605 266 HG SER 36 HG SER 36 17.060 1.915 31.410 267 H ARG 37 H ARG 37 20.949 5.089 31.429 268 HA ARG 37 HA ARG 37 20.633 7.873 30.611 269 HB2 ARG 37 1HB ARG 37 22.954 5.923 30.325 270 HB3 ARG 37 2HB ARG 37 23.032 7.636 29.908 271 HG2 ARG 37 1HG ARG 37 22.588 8.258 32.236 272 HG3 ARG 37 2HG ARG 37 22.508 6.540 32.690 273 HD2 ARG 37 1HD ARG 37 24.820 6.205 31.976 274 HD3 ARG 37 2HD ARG 37 24.921 7.869 31.384 275 HE ARG 37 HE ARG 37 24.939 6.968 34.205 276 HH11 ARG 37 1HH1 ARG 37 25.069 9.710 31.973 277 HH12 ARG 37 2HH1 ARG 37 25.670 10.791 33.201 278 HH21 ARG 37 1HH2 ARG 37 25.703 8.412 35.708 279 HH22 ARG 37 2HH2 ARG 37 26.021 10.068 35.269 280 H ARG 38 H ARG 38 18.997 5.937 29.119 281 HA ARG 38 HA ARG 38 18.395 5.372 26.960 282 HB2 ARG 38 1HB ARG 38 19.781 8.016 26.402 283 HB3 ARG 38 2HB ARG 38 18.675 7.181 25.303 284 HG2 ARG 38 1HG ARG 38 16.885 7.332 27.018 285 HG3 ARG 38 2HG ARG 38 17.987 8.261 28.056 286 HD2 ARG 38 1HD ARG 38 18.197 9.974 26.307 287 HD3 ARG 38 2HD ARG 38 17.104 9.043 25.264 288 HE ARG 38 HE ARG 38 15.832 9.531 27.770 289 HH11 ARG 38 1HH1 ARG 38 16.769 11.305 24.864 290 HH12 ARG 38 2HH1 ARG 38 15.483 12.468 25.048 291 HH21 ARG 38 1HH2 ARG 38 14.225 11.064 27.947 292 HH22 ARG 38 2HH2 ARG 38 14.073 12.331 26.760 293 H SER 39 H SER 39 20.496 3.898 27.653 294 HA SER 39 HA SER 39 22.870 4.036 26.229 295 HB2 SER 39 1HB SER 39 21.343 1.497 26.905 296 HB3 SER 39 2HB SER 39 23.106 1.693 26.782 297 HG SER 39 HG SER 39 22.437 1.746 28.948 298 HA PRO 40 HA PRO 40 21.745 3.139 22.078 299 HB2 PRO 40 1HB PRO 40 24.015 2.036 21.039 300 HB3 PRO 40 2HB PRO 40 23.918 3.756 21.530 301 HG2 PRO 40 1HG PRO 40 24.994 1.418 23.091 302 HG3 PRO 40 2HG PRO 40 25.764 3.002 22.755 303 HD2 PRO 40 1HD PRO 40 24.473 2.519 25.080 304 HD3 PRO 40 2HD PRO 40 24.385 4.125 24.279 305 H GLN 41 H GLN 41 20.102 1.648 22.282 306 HA GLN 41 HA GLN 41 20.816 -1.179 21.743 307 HB2 GLN 41 1HB GLN 41 18.775 -0.017 23.688 308 HB3 GLN 41 2HB GLN 41 18.804 -1.691 23.168 309 HG2 GLN 41 1HG GLN 41 21.044 -1.998 24.162 310 HG3 GLN 41 2HG GLN 41 21.067 -0.295 24.637 311 HE21 GLN 41 1HE2 GLN 41 18.479 -2.774 26.651 312 HE22 GLN 41 2HE2 GLN 41 18.772 -3.033 24.950 313 H ARG 42 H ARG 42 18.948 -2.190 20.522 314 HA ARG 42 HA ARG 42 18.231 -0.508 18.389 315 HB2 ARG 42 1HB ARG 42 16.785 -3.056 19.176 316 HB3 ARG 42 2HB ARG 42 16.746 -2.260 17.609 317 HG2 ARG 42 1HG ARG 42 19.452 -2.635 18.081 318 HG3 ARG 42 2HG ARG 42 18.714 -4.098 18.746 319 HD2 ARG 42 1HD ARG 42 18.410 -2.995 15.933 320 HD3 ARG 42 2HD ARG 42 19.292 -4.448 16.403 321 HE ARG 42 HE ARG 42 17.163 -5.523 16.923 322 HH11 ARG 42 1HH1 ARG 42 16.885 -2.542 15.040 323 HH12 ARG 42 2HH1 ARG 42 15.245 -2.932 14.534 324 HH21 ARG 42 1HH2 ARG 42 15.076 -5.922 16.164 325 HH22 ARG 42 2HH2 ARG 42 14.284 -4.740 15.132 326 H GLY 43 H GLY 43 16.582 0.671 17.795 327 HA2 GLY 43 1HA GLY 43 14.191 0.873 19.554 328 HA3 GLY 43 2HA GLY 43 15.182 2.318 19.282 329 H ILE 44 H ILE 44 13.037 3.126 18.404 330 HA ILE 44 HA ILE 44 11.857 1.976 16.077 331 HB ILE 44 HB ILE 44 10.759 3.676 17.597 332 HG12 ILE 44 1HG1 ILE 44 9.826 5.144 15.703 333 HG13 ILE 44 2HG1 ILE 44 10.878 4.262 14.624 334 HG21 ILE 44 1HG2 ILE 44 11.259 6.056 17.382 335 HG22 ILE 44 2HG2 ILE 44 12.762 5.213 17.792 336 HG23 ILE 44 3HG2 ILE 44 12.482 5.734 16.136 337 HD11 ILE 44 1HD1 ILE 44 9.724 2.145 15.292 338 HD12 ILE 44 2HD1 ILE 44 8.604 3.131 16.268 339 HD13 ILE 44 3HD1 ILE 44 8.666 3.337 14.507 340 H VAL 45 H VAL 45 14.566 4.191 16.450 341 HA VAL 45 HA VAL 45 14.724 5.164 13.797 342 HB VAL 45 HB VAL 45 17.090 4.472 15.584 343 HG11 VAL 45 1HG1 VAL 45 18.182 6.386 14.463 344 HG12 VAL 45 2HG1 VAL 45 17.641 5.205 13.259 345 HG13 VAL 45 3HG1 VAL 45 16.705 6.688 13.518 346 HG21 VAL 45 1HG2 VAL 45 15.319 6.906 15.663 347 HG22 VAL 45 2HG2 VAL 45 15.603 5.722 16.963 348 HG23 VAL 45 3HG2 VAL 45 16.919 6.784 16.434 349 H GLU 46 H GLU 46 15.727 2.094 15.252 350 HA GLU 46 HA GLU 46 17.314 1.274 12.973 351 HB2 GLU 46 1HB GLU 46 16.202 -0.286 15.292 352 HB3 GLU 46 2HB GLU 46 17.393 -0.866 14.121 353 HG2 GLU 46 1HG GLU 46 18.395 1.594 15.077 354 HG3 GLU 46 2HG GLU 46 17.794 0.721 16.498 355 H GLU 47 H GLU 47 13.952 1.187 13.777 356 HA GLU 47 HA GLU 47 13.415 -0.894 11.743 357 HB2 GLU 47 1HB GLU 47 11.529 0.803 13.426 358 HB3 GLU 47 2HB GLU 47 11.070 -0.557 12.397 359 HG2 GLU 47 1HG GLU 47 12.823 -0.695 14.882 360 HG3 GLU 47 2HG GLU 47 11.128 -1.183 14.774 361 H CYS 48 H CYS 48 13.126 2.617 12.232 362 HA CYS 48 HA CYS 48 11.773 2.836 9.589 363 HB2 CYS 48 1HB CYS 48 11.931 4.734 11.936 364 HB3 CYS 48 2HB CYS 48 11.082 5.068 10.422 365 H CYS 49 H CYS 49 14.883 3.633 10.904 366 HA CYS 49 HA CYS 49 15.251 5.568 8.635 367 HB2 CYS 49 1HB CYS 49 15.466 6.566 10.929 368 HB3 CYS 49 2HB CYS 49 16.823 5.480 11.226 369 H PHE 50 H PHE 50 16.889 3.099 10.672 370 HA PHE 50 HA PHE 50 18.974 2.694 8.655 371 HB2 PHE 50 1HB PHE 50 18.185 1.080 11.111 372 HB3 PHE 50 2HB PHE 50 19.587 0.749 10.096 373 HD1 PHE 50 HD1 PHE 50 21.476 2.426 9.972 374 HD2 PHE 50 HD2 PHE 50 18.290 2.829 12.825 375 HE1 PHE 50 HE1 PHE 50 22.866 3.986 11.346 376 HE2 PHE 50 HE2 PHE 50 19.661 4.310 14.197 377 HZ PHE 50 HZ PHE 50 21.937 4.931 13.476 378 H ARG 51 H ARG 51 15.749 1.639 9.194 379 HA ARG 51 HA ARG 51 15.886 -0.163 6.843 380 HB2 ARG 51 1HB ARG 51 14.589 -0.835 9.523 381 HB3 ARG 51 2HB ARG 51 14.238 -1.697 8.027 382 HG2 ARG 51 1HG ARG 51 16.979 -1.536 9.303 383 HG3 ARG 51 2HG ARG 51 15.844 -2.882 9.497 384 HD2 ARG 51 1HD ARG 51 15.866 -3.261 7.058 385 HD3 ARG 51 2HD ARG 51 17.000 -1.910 6.855 386 HE ARG 51 HE ARG 51 18.115 -3.728 8.710 387 HH11 ARG 51 1HH1 ARG 51 17.386 -3.574 5.262 388 HH12 ARG 51 2HH1 ARG 51 18.667 -4.678 4.840 389 HH21 ARG 51 1HH2 ARG 51 19.737 -5.128 8.100 390 HH22 ARG 51 2HH2 ARG 51 19.975 -5.539 6.426 391 H SER 52 H SER 52 13.313 -0.676 6.458 392 HA SER 52 HA SER 52 12.033 1.991 6.434 393 HB2 SER 52 1HB SER 52 11.611 -0.523 4.776 394 HB3 SER 52 2HB SER 52 10.744 0.998 4.583 395 HG SER 52 HG SER 52 12.904 1.956 4.308 396 H CYS 53 H CYS 53 9.863 2.213 7.091 397 HA CYS 53 HA CYS 53 8.554 -0.162 8.302 398 HB2 CYS 53 1HB CYS 53 8.308 0.802 10.436 399 HB3 CYS 53 2HB CYS 53 10.006 1.040 10.030 400 H ASP 54 H ASP 54 6.338 0.377 9.025 401 HA ASP 54 HA ASP 54 5.073 2.510 7.341 402 HB2 ASP 54 1HB ASP 54 4.099 -0.197 8.330 403 HB3 ASP 54 2HB ASP 54 2.988 1.054 7.749 404 H LEU 55 H LEU 55 3.052 3.395 8.404 405 HA LEU 55 HA LEU 55 3.558 4.424 11.000 406 HB2 LEU 55 1HB LEU 55 1.628 5.567 10.733 407 HB3 LEU 55 2HB LEU 55 1.813 4.989 9.074 408 HG LEU 55 HG LEU 55 0.003 3.556 10.994 409 HD11 LEU 55 1HD1 LEU 55 -0.645 5.920 10.984 410 HD12 LEU 55 2HD1 LEU 55 -1.821 4.945 10.083 411 HD13 LEU 55 3HD1 LEU 55 -0.632 5.933 9.203 412 HD21 LEU 55 1HD2 LEU 55 0.013 3.842 7.946 413 HD22 LEU 55 2HD2 LEU 55 -1.125 2.873 8.908 414 HD23 LEU 55 3HD2 LEU 55 0.583 2.417 8.838 415 H ALA 56 H ALA 56 2.134 1.470 9.933 416 HA ALA 56 HA ALA 56 0.687 0.859 12.326 417 HB1 ALA 56 1HB ALA 56 1.687 -0.956 10.117 418 HB2 ALA 56 2HB ALA 56 0.310 -1.242 11.216 419 HB3 ALA 56 3HB ALA 56 0.241 0.077 10.004 420 H LEU 57 H LEU 57 3.924 0.017 11.069 421 HA LEU 57 HA LEU 57 4.624 -1.732 13.275 422 HB2 LEU 57 1HB LEU 57 5.714 -1.668 11.008 423 HB3 LEU 57 2HB LEU 57 6.393 -0.097 11.401 424 HG LEU 57 HG LEU 57 7.020 -2.586 13.002 425 HD11 LEU 57 1HD1 LEU 57 9.039 -2.827 11.608 426 HD12 LEU 57 2HD1 LEU 57 8.493 -1.489 10.577 427 HD13 LEU 57 3HD1 LEU 57 7.559 -3.000 10.643 428 HD21 LEU 57 1HD2 LEU 57 8.465 0.081 12.679 429 HD22 LEU 57 2HD2 LEU 57 9.157 -1.350 13.475 430 HD23 LEU 57 3HD2 LEU 57 7.730 -0.571 14.160 431 H LEU 58 H LEU 58 5.082 1.683 12.410 432 HA LEU 58 HA LEU 58 6.627 2.484 14.583 433 HB2 LEU 58 1HB LEU 58 6.200 3.551 12.397 434 HB3 LEU 58 2HB LEU 58 4.598 3.976 12.945 435 HG LEU 58 HG LEU 58 6.866 4.915 14.558 436 HD11 LEU 58 1HD1 LEU 58 7.126 6.863 12.993 437 HD12 LEU 58 2HD1 LEU 58 6.138 5.978 11.810 438 HD13 LEU 58 3HD1 LEU 58 7.705 5.321 12.330 439 HD21 LEU 58 1HD2 LEU 58 5.363 6.982 14.508 440 HD22 LEU 58 2HD2 LEU 58 4.717 5.540 15.306 441 HD23 LEU 58 3HD2 LEU 58 4.174 5.965 13.670 442 H GLU 59 H GLU 59 3.130 2.203 14.308 443 HA GLU 59 HA GLU 59 2.392 3.594 16.667 444 HB2 GLU 59 1HB GLU 59 0.888 2.946 14.857 445 HB3 GLU 59 2HB GLU 59 1.115 1.239 15.243 446 HG2 GLU 59 1HG GLU 59 0.148 2.833 17.520 447 HG3 GLU 59 2HG GLU 59 -0.929 2.830 16.123 448 HE2 GLU 59 HE2 GLU 59 -2.067 1.311 15.831 449 H THR 60 H THR 60 3.773 0.360 16.311 450 HA THR 60 HA THR 60 2.825 -0.676 18.793 451 HB THR 60 HB THR 60 4.543 -2.370 18.599 452 HG1 THR 60 HG1 THR 60 5.661 -0.897 16.432 453 HG21 THR 60 1HG2 THR 60 2.605 -2.394 16.966 454 HG22 THR 60 2HG2 THR 60 4.070 -3.213 16.371 455 HG23 THR 60 3HG2 THR 60 3.658 -1.589 15.782 456 H TYR 61 H TYR 61 5.129 1.780 18.148 457 HA TYR 61 HA TYR 61 6.543 1.412 20.714 458 HB2 TYR 61 1HB TYR 61 6.831 3.266 18.351 459 HB3 TYR 61 2HB TYR 61 7.620 3.630 19.879 460 HD1 TYR 61 HD1 TYR 61 9.714 2.728 20.396 461 HD2 TYR 61 HD2 TYR 61 7.359 0.878 17.307 462 HE1 TYR 61 HE1 TYR 61 11.638 1.253 19.813 463 HE2 TYR 61 HE2 TYR 61 9.298 -0.579 16.711 464 HH TYR 61 HH TYR 61 12.440 -0.367 18.366 465 H CYS 62 H CYS 62 3.480 2.539 20.163 466 HA CYS 62 HA CYS 62 3.603 5.125 21.415 467 HB2 CYS 62 1HB CYS 62 1.367 3.076 21.342 468 HB3 CYS 62 2HB CYS 62 1.199 4.717 21.972 469 H ALA 63 H ALA 63 3.251 5.802 23.543 470 HA ALA 63 HA ALA 63 4.691 4.209 25.401 471 HB1 ALA 63 1HB ALA 63 2.993 6.696 25.816 472 HB2 ALA 63 2HB ALA 63 4.075 5.994 27.043 473 HB3 ALA 63 3HB ALA 63 4.747 6.628 25.526 474 H THR 64 H THR 64 1.240 4.672 24.943 475 HA THR 64 HA THR 64 0.631 2.341 26.537 476 HB THR 64 HB THR 64 0.917 4.314 28.228 477 HG1 THR 64 HG1 THR 64 -0.136 2.483 28.869 478 HG21 THR 64 1HG2 THR 64 -1.821 5.041 27.179 479 HG22 THR 64 2HG2 THR 64 -0.341 5.966 26.813 480 HG23 THR 64 3HG2 THR 64 -0.916 5.826 28.491 481 HA PRO 65 HA PRO 65 -2.557 2.699 23.443 482 HB2 PRO 65 1HB PRO 65 -4.482 1.011 24.332 483 HB3 PRO 65 2HB PRO 65 -2.861 0.403 23.864 484 HG2 PRO 65 1HG PRO 65 -3.901 1.091 26.609 485 HG3 PRO 65 2HG PRO 65 -3.111 -0.422 26.056 486 HD2 PRO 65 1HD PRO 65 -1.725 1.572 27.293 487 HD3 PRO 65 2HD PRO 65 -0.991 0.574 25.996 488 H ALA 66 H ALA 66 -4.912 3.217 23.105 489 HA ALA 66 HA ALA 66 -5.982 5.008 25.254 490 HB1 ALA 66 1HB ALA 66 -7.085 6.249 23.442 491 HB2 ALA 66 2HB ALA 66 -5.333 6.174 23.123 492 HB3 ALA 66 3HB ALA 66 -6.453 5.104 22.238 493 H LYS 67 H LYS 67 -8.416 5.080 25.237 494 HA LYS 67 HA LYS 67 -9.586 2.504 24.253 495 HB2 LYS 67 1HB LYS 67 -9.545 2.634 26.754 496 HB3 LYS 67 2HB LYS 67 -10.488 4.130 26.660 497 HG2 LYS 67 1HG LYS 67 -12.278 2.849 25.438 498 HG3 LYS 67 2HG LYS 67 -11.358 1.367 25.733 499 HD2 LYS 67 1HD LYS 67 -11.563 1.735 28.163 500 HD3 LYS 67 2HD LYS 67 -12.473 3.236 27.851 501 HE2 LYS 67 1HE LYS 67 -14.156 1.908 26.575 502 HE3 LYS 67 2HE LYS 67 -13.280 0.428 26.998 503 HZ1 LYS 67 1HZ LYS 67 -14.554 2.277 28.924 504 HZ2 LYS 67 2HZ LYS 67 -13.734 0.900 29.324 505 HZ3 LYS 67 3HZ LYS 67 -15.139 0.804 28.463 506 H SER 68 H SER 68 -10.662 2.968 22.471 507 HA SER 68 HA SER 68 -12.780 5.034 22.641 508 HB2 SER 68 1HB SER 68 -10.859 6.083 21.414 509 HB3 SER 68 2HB SER 68 -10.902 4.734 20.257 510 HG SER 68 HG SER 68 -12.142 6.299 19.360 511 H GLU 69 H GLU 69 -14.651 4.031 22.125 512 HA GLU 69 HA GLU 69 -14.896 2.111 19.988 513 HB2 GLU 69 1HB GLU 69 -15.585 0.194 21.280 514 HB3 GLU 69 2HB GLU 69 -13.950 0.619 21.795 515 HG2 GLU 69 1HG GLU 69 -14.922 1.786 23.781 516 HG3 GLU 69 2HG GLU 69 -16.529 1.246 23.273 Start of MODEL 5 1 H1 ALA 1 1H ALA 1 8.155 16.706 -8.125 2 H2 ALA 1 2H ALA 1 7.661 16.840 -6.556 3 H3 ALA 1 3H ALA 1 9.100 16.116 -6.907 4 HA ALA 1 HA ALA 1 6.429 15.102 -7.626 5 HB1 ALA 1 1HB ALA 1 9.193 13.866 -8.100 6 HB2 ALA 1 2HB ALA 1 7.634 13.087 -8.455 7 HB3 ALA 1 3HB ALA 1 8.124 14.538 -9.360 8 H TYR 2 H TYR 2 5.630 13.448 -6.316 9 HA TYR 2 HA TYR 2 6.627 13.487 -3.579 10 HB2 TYR 2 1HB TYR 2 4.214 13.514 -4.268 11 HB3 TYR 2 2HB TYR 2 4.402 11.862 -4.868 12 HD1 TYR 2 HD1 TYR 2 4.966 13.883 -1.717 13 HD2 TYR 2 HD2 TYR 2 3.835 10.091 -3.425 14 HE1 TYR 2 HE1 TYR 2 4.473 12.994 0.560 15 HE2 TYR 2 HE2 TYR 2 3.326 9.225 -1.141 16 HH TYR 2 HH TYR 2 3.786 11.183 1.796 17 H ARG 3 H ARG 3 7.099 11.549 -2.337 18 HA ARG 3 HA ARG 3 7.818 9.099 -3.872 19 HB2 ARG 3 1HB ARG 3 9.568 10.611 -1.881 20 HB3 ARG 3 2HB ARG 3 9.737 8.874 -2.147 21 HG2 ARG 3 1HG ARG 3 10.179 9.302 -4.544 22 HG3 ARG 3 2HG ARG 3 10.160 11.048 -4.206 23 HD2 ARG 3 1HD ARG 3 12.006 10.756 -2.589 24 HD3 ARG 3 2HD ARG 3 11.980 9.009 -2.864 25 HE ARG 3 HE ARG 3 12.995 9.284 -4.960 26 HH11 ARG 3 1HH1 ARG 3 12.501 12.441 -3.447 27 HH12 ARG 3 2HH1 ARG 3 13.613 13.232 -4.530 28 HH21 ARG 3 1HH2 ARG 3 14.386 10.366 -6.305 29 HH22 ARG 3 2HH2 ARG 3 14.655 12.077 -6.119 30 HA PRO 4 HA PRO 4 5.268 7.678 -0.559 31 HB2 PRO 4 1HB PRO 4 6.079 5.078 -0.203 32 HB3 PRO 4 2HB PRO 4 5.133 5.621 -1.627 33 HG2 PRO 4 1HG PRO 4 8.118 5.277 -1.378 34 HG3 PRO 4 2HG PRO 4 7.008 4.625 -2.629 35 HD2 PRO 4 1HD PRO 4 8.404 6.879 -3.079 36 HD3 PRO 4 2HD PRO 4 6.690 6.748 -3.611 37 H SER 5 H SER 5 8.762 7.363 -0.275 38 HA SER 5 HA SER 5 10.179 7.554 1.506 39 HB2 SER 5 1HB SER 5 8.028 9.425 2.509 40 HB3 SER 5 2HB SER 5 9.784 9.541 2.769 41 HG SER 5 HG SER 5 8.230 10.106 0.509 42 H GLU 6 H GLU 6 9.151 5.184 2.115 43 HA GLU 6 HA GLU 6 7.860 5.116 4.728 44 HB2 GLU 6 1HB GLU 6 9.213 3.013 3.007 45 HB3 GLU 6 2HB GLU 6 8.434 2.646 4.549 46 HG2 GLU 6 1HG GLU 6 6.294 3.248 3.744 47 HG3 GLU 6 2HG GLU 6 6.970 3.981 2.284 48 H THR 7 H THR 7 10.438 6.607 4.546 49 HA THR 7 HA THR 7 11.835 5.160 6.737 50 HB THR 7 HB THR 7 13.993 6.197 5.832 51 HG1 THR 7 HG1 THR 7 13.993 6.658 3.629 52 HG21 THR 7 1HG2 THR 7 13.529 3.780 5.723 53 HG22 THR 7 2HG2 THR 7 14.425 4.334 4.293 54 HG23 THR 7 3HG2 THR 7 12.680 4.008 4.175 55 H LEU 8 H LEU 8 12.455 6.400 8.374 56 HA LEU 8 HA LEU 8 12.042 9.357 8.175 57 HB2 LEU 8 1HB LEU 8 11.022 7.489 10.285 58 HB3 LEU 8 2HB LEU 8 10.961 9.242 10.395 59 HG LEU 8 HG LEU 8 9.505 7.545 8.459 60 HD11 LEU 8 1HD1 LEU 8 7.492 8.138 9.591 61 HD12 LEU 8 2HD1 LEU 8 8.455 8.981 10.815 62 HD13 LEU 8 3HD1 LEU 8 8.614 7.222 10.607 63 HD21 LEU 8 1HD2 LEU 8 8.296 9.616 7.830 64 HD22 LEU 8 2HD2 LEU 8 10.039 9.834 7.581 65 HD23 LEU 8 3HD2 LEU 8 9.257 10.521 9.023 66 H CYS 9 H CYS 9 13.174 10.532 9.669 67 HA CYS 9 HA CYS 9 14.750 9.161 11.719 68 HB2 CYS 9 1HB CYS 9 15.931 9.289 9.252 69 HB3 CYS 9 2HB CYS 9 16.483 10.811 9.962 70 H GLY 10 H GLY 10 15.818 10.702 13.163 71 HA2 GLY 10 1HA GLY 10 15.836 12.671 14.368 72 HA3 GLY 10 2HA GLY 10 15.744 13.491 12.801 73 H GLY 11 H GLY 11 14.347 15.098 13.190 74 HA2 GLY 11 1HA GLY 11 12.049 14.887 14.840 75 HA3 GLY 11 2HA GLY 11 12.365 16.151 13.649 76 H GLU 12 H GLU 12 12.466 13.957 11.449 77 HA GLU 12 HA GLU 12 9.667 14.167 10.770 78 HB2 GLU 12 1HB GLU 12 11.867 12.392 9.644 79 HB3 GLU 12 2HB GLU 12 10.255 12.548 8.948 80 HG2 GLU 12 1HG GLU 12 12.112 14.917 9.299 81 HG3 GLU 12 2HG GLU 12 12.095 13.902 7.851 82 H LEU 13 H LEU 13 11.689 11.694 12.301 83 HA LEU 13 HA LEU 13 9.646 9.654 12.208 84 HB2 LEU 13 1HB LEU 13 12.099 9.251 12.438 85 HB3 LEU 13 2HB LEU 13 12.038 9.914 14.060 86 HG LEU 13 HG LEU 13 10.879 8.051 14.907 87 HD11 LEU 13 1HD1 LEU 13 10.034 6.167 13.470 88 HD12 LEU 13 2HD1 LEU 13 10.293 7.178 12.033 89 HD13 LEU 13 3HD1 LEU 13 9.131 7.672 13.277 90 HD21 LEU 13 1HD2 LEU 13 13.240 7.659 14.453 91 HD22 LEU 13 2HD2 LEU 13 12.861 7.101 12.802 92 HD23 LEU 13 3HD2 LEU 13 12.324 6.158 14.209 93 H VAL 14 H VAL 14 10.741 12.082 14.563 94 HA VAL 14 HA VAL 14 8.996 11.371 16.698 95 HB VAL 14 HB VAL 14 10.242 14.030 15.876 96 HG11 VAL 14 1HG1 VAL 14 8.450 14.817 17.173 97 HG12 VAL 14 2HG1 VAL 14 8.456 13.407 18.237 98 HG13 VAL 14 3HG1 VAL 14 9.735 14.633 18.378 99 HG21 VAL 14 1HG2 VAL 14 10.927 12.064 18.097 100 HG22 VAL 14 2HG2 VAL 14 11.802 12.221 16.555 101 HG23 VAL 14 3HG2 VAL 14 11.799 13.566 17.716 102 H ASP 15 H ASP 15 8.529 13.661 13.962 103 HA ASP 15 HA ASP 15 5.975 14.604 14.715 104 HB2 ASP 15 1HB ASP 15 7.431 15.464 12.848 105 HB3 ASP 15 2HB ASP 15 6.982 14.041 11.899 106 H THR 16 H THR 16 6.864 11.700 12.802 107 HA THR 16 HA THR 16 4.128 10.979 12.282 108 HB THR 16 HB THR 16 6.581 9.188 12.349 109 HG1 THR 16 HG1 THR 16 7.002 10.854 10.947 110 HG21 THR 16 1HG2 THR 16 5.314 7.948 10.615 111 HG22 THR 16 2HG2 THR 16 3.918 9.013 10.895 112 HG23 THR 16 3HG2 THR 16 4.501 7.939 12.192 113 H LEU 17 H LEU 17 6.446 10.072 14.864 114 HA LEU 17 HA LEU 17 4.713 8.134 16.095 115 HB2 LEU 17 1HB LEU 17 7.027 9.801 17.080 116 HB3 LEU 17 2HB LEU 17 6.137 8.716 18.145 117 HG LEU 17 HG LEU 17 7.158 7.585 15.577 118 HD11 LEU 17 1HD1 LEU 17 9.324 7.123 16.489 119 HD12 LEU 17 2HD1 LEU 17 8.928 8.000 17.985 120 HD13 LEU 17 3HD1 LEU 17 9.052 8.870 16.440 121 HD21 LEU 17 1HD2 LEU 17 5.771 6.275 17.232 122 HD22 LEU 17 2HD2 LEU 17 7.096 6.454 18.403 123 HD23 LEU 17 3HD2 LEU 17 7.357 5.560 16.888 124 H GLN 18 H GLN 18 5.036 11.670 16.445 125 HA GLN 18 HA GLN 18 3.181 11.911 18.641 126 HB2 GLN 18 1HB GLN 18 4.083 13.832 16.472 127 HB3 GLN 18 2HB GLN 18 2.979 14.297 17.770 128 HG2 GLN 18 1HG GLN 18 4.634 13.888 19.445 129 HG3 GLN 18 2HG GLN 18 5.724 13.150 18.271 130 HE21 GLN 18 1HE2 GLN 18 6.123 16.975 18.999 131 HE22 GLN 18 2HE2 GLN 18 5.284 15.841 20.030 132 H PHE 19 H PHE 19 2.757 11.401 15.186 133 HA PHE 19 HA PHE 19 -0.040 12.254 15.232 134 HB2 PHE 19 1HB PHE 19 1.285 12.376 13.170 135 HB3 PHE 19 2HB PHE 19 1.520 10.628 13.195 136 HD1 PHE 19 HD1 PHE 19 -1.076 13.289 12.882 137 HD2 PHE 19 HD2 PHE 19 -0.111 9.135 12.321 138 HE1 PHE 19 HE1 PHE 19 -3.198 12.973 11.615 139 HE2 PHE 19 HE2 PHE 19 -2.228 8.806 11.052 140 HZ PHE 19 HZ PHE 19 -3.780 10.727 10.696 141 H VAL 20 H VAL 20 1.616 9.031 14.975 142 HA VAL 20 HA VAL 20 -0.892 7.650 15.025 143 HB VAL 20 HB VAL 20 0.336 5.592 15.143 144 HG11 VAL 20 1HG1 VAL 20 0.428 6.907 13.029 145 HG12 VAL 20 2HG1 VAL 20 1.999 7.554 13.547 146 HG13 VAL 20 3HG1 VAL 20 1.809 5.810 13.257 147 HG21 VAL 20 1HG2 VAL 20 2.723 5.514 15.525 148 HG22 VAL 20 2HG2 VAL 20 2.726 7.245 15.928 149 HG23 VAL 20 3HG2 VAL 20 1.843 6.074 16.934 150 H CYS 21 H CYS 21 1.251 8.678 17.624 151 HA CYS 21 HA CYS 21 -0.324 7.076 19.604 152 HB2 CYS 21 1HB CYS 21 2.212 8.709 19.975 153 HB3 CYS 21 2HB CYS 21 1.475 7.638 21.168 154 H GLY 22 H GLY 22 -0.209 10.179 18.267 155 HA2 GLY 22 1HA GLY 22 -1.204 12.165 18.962 156 HA3 GLY 22 2HA GLY 22 -1.726 11.370 20.468 157 H ASP 23 H ASP 23 -0.816 13.740 20.952 158 HA ASP 23 HA ASP 23 2.033 13.989 21.270 159 HB2 ASP 23 1HB ASP 23 0.282 15.840 21.131 160 HB3 ASP 23 2HB ASP 23 -0.086 15.484 22.826 161 H ARG 24 H ARG 24 0.199 11.757 22.702 162 HA ARG 24 HA ARG 24 0.697 12.237 25.530 163 HB2 ARG 24 1HB ARG 24 -0.118 9.676 24.129 164 HB3 ARG 24 2HB ARG 24 -0.314 10.050 25.844 165 HG2 ARG 24 1HG ARG 24 -1.737 11.447 23.533 166 HG3 ARG 24 2HG ARG 24 -2.421 10.234 24.602 167 HD2 ARG 24 1HD ARG 24 -3.239 12.304 25.434 168 HD3 ARG 24 2HD ARG 24 -1.945 11.840 26.555 169 HE ARG 24 HE ARG 24 -0.779 13.455 24.558 170 HH11 ARG 24 1HH1 ARG 24 -3.127 13.888 27.153 171 HH12 ARG 24 2HH1 ARG 24 -2.713 15.567 27.364 172 HH21 ARG 24 1HH2 ARG 24 -0.283 15.588 24.893 173 HH22 ARG 24 2HH2 ARG 24 -1.133 16.511 26.100 174 H GLY 25 H GLY 25 2.678 11.163 23.045 175 HA2 GLY 25 1HA GLY 25 5.001 10.950 23.532 176 HA3 GLY 25 2HA GLY 25 4.611 10.270 25.115 177 H PHE 26 H PHE 26 6.484 9.205 23.448 178 HA PHE 26 HA PHE 26 5.395 6.531 22.839 179 HB2 PHE 26 1HB PHE 26 6.624 6.685 20.607 180 HB3 PHE 26 2HB PHE 26 5.097 7.566 20.719 181 HD1 PHE 26 HD1 PHE 26 4.982 9.960 20.658 182 HD2 PHE 26 HD2 PHE 26 8.786 7.944 20.618 183 HE1 PHE 26 HE1 PHE 26 6.101 12.089 20.100 184 HE2 PHE 26 HE2 PHE 26 9.906 10.090 20.031 185 HZ PHE 26 HZ PHE 26 8.559 12.163 19.792 186 H TYR 27 H TYR 27 7.229 5.076 22.342 187 HA TYR 27 HA TYR 27 9.620 5.838 23.974 188 HB2 TYR 27 1HB TYR 27 8.562 3.198 22.887 189 HB3 TYR 27 2HB TYR 27 10.072 3.371 23.749 190 HD1 TYR 27 HD1 TYR 27 7.618 5.506 25.406 191 HD2 TYR 27 HD2 TYR 27 8.796 1.375 24.934 192 HE1 TYR 27 HE1 TYR 27 6.587 4.930 27.588 193 HE2 TYR 27 HE2 TYR 27 7.734 0.833 27.105 194 HH TYR 27 HH TYR 27 6.430 1.621 28.838 195 H PHE 28 H PHE 28 11.636 5.929 22.886 196 HA PHE 28 HA PHE 28 11.526 5.562 19.923 197 HB2 PHE 28 1HB PHE 28 12.921 7.354 21.652 198 HB3 PHE 28 2HB PHE 28 14.128 6.301 20.932 199 HD1 PHE 28 HD1 PHE 28 14.992 6.804 18.818 200 HD2 PHE 28 HD2 PHE 28 11.148 8.366 19.944 201 HE1 PHE 28 HE1 PHE 28 14.914 8.128 16.704 202 HE2 PHE 28 HE2 PHE 28 11.056 9.686 17.833 203 HZ PHE 28 HZ PHE 28 12.946 9.580 16.216 204 H ASN 29 H ASN 29 12.621 4.236 22.869 205 HA ASN 29 HA ASN 29 14.259 2.139 21.566 206 HB2 ASN 29 1HB ASN 29 16.131 2.775 23.079 207 HB3 ASN 29 2HB ASN 29 15.709 4.076 21.969 208 HD21 ASN 29 1HD2 ASN 29 15.865 4.933 25.794 209 HD22 ASN 29 2HD2 ASN 29 16.671 3.610 24.996 210 H ARG 30 H ARG 30 11.732 2.400 23.150 211 HA ARG 30 HA ARG 30 10.683 1.269 24.845 212 HB2 ARG 30 1HB ARG 30 12.776 -0.840 24.362 213 HB3 ARG 30 2HB ARG 30 11.078 -1.028 24.795 214 HG2 ARG 30 1HG ARG 30 10.637 0.228 22.589 215 HG3 ARG 30 2HG ARG 30 12.307 -0.239 22.203 216 HD2 ARG 30 1HD ARG 30 10.083 -2.145 23.036 217 HD3 ARG 30 2HD ARG 30 10.548 -1.838 21.354 218 HE ARG 30 HE ARG 30 12.027 -3.396 23.366 219 HH11 ARG 30 1HH1 ARG 30 12.138 -1.960 20.131 220 HH12 ARG 30 2HH1 ARG 30 13.489 -2.950 19.650 221 HH21 ARG 30 1HH2 ARG 30 13.737 -4.619 22.661 222 HH22 ARG 30 2HH2 ARG 30 14.368 -4.425 21.049 223 HA PRO 31 HA PRO 31 14.265 1.820 27.636 224 HB2 PRO 31 1HB PRO 31 13.725 4.133 29.035 225 HB3 PRO 31 2HB PRO 31 14.482 4.110 27.426 226 HG2 PRO 31 1HG PRO 31 11.601 4.571 28.092 227 HG3 PRO 31 2HG PRO 31 12.678 5.525 27.024 228 HD2 PRO 31 1HD PRO 31 10.973 3.632 26.052 229 HD3 PRO 31 2HD PRO 31 12.579 3.935 25.313 230 H ALA 32 H ALA 32 10.980 2.613 28.423 231 HA ALA 32 HA ALA 32 9.575 2.222 30.180 232 HB1 ALA 32 1HB ALA 32 9.827 -0.072 29.254 233 HB2 ALA 32 2HB ALA 32 11.158 -0.372 30.399 234 HB3 ALA 32 3HB ALA 32 9.509 -0.087 31.005 235 H SER 33 H SER 33 12.022 3.672 30.841 236 HA SER 33 HA SER 33 11.887 3.479 33.759 237 HB2 SER 33 1HB SER 33 14.327 3.127 34.005 238 HB3 SER 33 2HB SER 33 13.554 1.732 33.227 239 HG SER 33 HG SER 33 14.387 2.296 31.305 240 H ARG 34 H ARG 34 13.286 5.229 34.708 241 HA ARG 34 HA ARG 34 13.503 7.548 32.810 242 HB2 ARG 34 1HB ARG 34 12.640 7.496 35.712 243 HB3 ARG 34 2HB ARG 34 12.833 8.959 34.740 244 HG2 ARG 34 1HG ARG 34 10.986 8.377 33.327 245 HG3 ARG 34 2HG ARG 34 10.905 6.734 33.996 246 HD2 ARG 34 1HD ARG 34 10.373 7.663 36.205 247 HD3 ARG 34 2HD ARG 34 10.357 9.295 35.503 248 HE ARG 34 HE ARG 34 8.608 7.693 33.967 249 HH11 ARG 34 1HH1 ARG 34 8.721 8.975 37.256 250 HH12 ARG 34 2HH1 ARG 34 6.985 8.969 37.413 251 HH21 ARG 34 1HH2 ARG 34 6.402 7.726 34.240 252 HH22 ARG 34 2HH2 ARG 34 5.701 8.277 35.736 253 H VAL 35 H VAL 35 15.423 5.470 33.891 254 HA VAL 35 HA VAL 35 17.124 6.726 35.820 255 HB VAL 35 HB VAL 35 18.773 4.967 35.252 256 HG11 VAL 35 1HG1 VAL 35 16.845 4.471 36.739 257 HG12 VAL 35 2HG1 VAL 35 15.928 3.888 35.331 258 HG13 VAL 35 3HG1 VAL 35 17.399 3.039 35.846 259 HG21 VAL 35 1HG2 VAL 35 18.481 4.882 32.788 260 HG22 VAL 35 2HG2 VAL 35 18.263 3.276 33.500 261 HG23 VAL 35 3HG2 VAL 35 16.846 4.212 32.987 262 H SER 36 H SER 36 16.816 7.198 32.444 263 HA SER 36 HA SER 36 17.931 8.512 30.941 264 HB2 SER 36 1HB SER 36 18.503 10.151 33.423 265 HB3 SER 36 2HB SER 36 18.342 10.738 31.752 266 HG SER 36 HG SER 36 16.375 9.802 33.538 267 H ARG 37 H ARG 37 19.798 6.471 31.942 268 HA ARG 37 HA ARG 37 22.335 7.685 32.522 269 HB2 ARG 37 1HB ARG 37 21.587 4.908 31.543 270 HB3 ARG 37 2HB ARG 37 23.225 5.383 32.002 271 HG2 ARG 37 1HG ARG 37 22.396 5.971 34.275 272 HG3 ARG 37 2HG ARG 37 20.806 5.317 33.827 273 HD2 ARG 37 1HD ARG 37 21.824 3.123 33.362 274 HD3 ARG 37 2HD ARG 37 23.431 3.779 33.732 275 HE ARG 37 HE ARG 37 21.733 4.206 35.972 276 HH11 ARG 37 1HH1 ARG 37 23.373 1.539 34.332 277 HH12 ARG 37 2HH1 ARG 37 23.485 0.590 35.789 278 HH21 ARG 37 1HH2 ARG 37 21.918 2.931 37.792 279 HH22 ARG 37 2HH2 ARG 37 22.677 1.365 37.706 280 H ARG 38 H ARG 38 20.858 8.176 29.722 281 HA ARG 38 HA ARG 38 21.461 8.644 27.555 282 HB2 ARG 38 1HB ARG 38 24.178 9.003 28.841 283 HB3 ARG 38 2HB ARG 38 23.738 9.581 27.233 284 HG2 ARG 38 1HG ARG 38 22.226 10.417 29.697 285 HG3 ARG 38 2HG ARG 38 23.696 11.248 29.155 286 HD2 ARG 38 1HD ARG 38 22.608 11.564 26.899 287 HD3 ARG 38 2HD ARG 38 21.113 10.909 27.585 288 HE ARG 38 HE ARG 38 20.794 12.876 28.809 289 HH11 ARG 38 1HH1 ARG 38 23.937 13.033 27.191 290 HH12 ARG 38 2HH1 ARG 38 24.101 14.743 27.485 291 HH21 ARG 38 1HH2 ARG 38 21.088 15.052 29.151 292 HH22 ARG 38 2HH2 ARG 38 22.525 15.856 28.582 293 H SER 39 H SER 39 21.825 5.840 28.557 294 HA SER 39 HA SER 39 23.976 4.619 27.132 295 HB2 SER 39 1HB SER 39 22.749 3.458 28.924 296 HB3 SER 39 2HB SER 39 21.262 3.500 27.953 297 HG SER 39 HG SER 39 22.499 1.494 27.864 298 HA PRO 40 HA PRO 40 22.244 5.049 23.033 299 HB2 PRO 40 1HB PRO 40 23.896 3.450 21.602 300 HB3 PRO 40 2HB PRO 40 24.501 4.920 22.422 301 HG2 PRO 40 1HG PRO 40 24.554 2.072 23.390 302 HG3 PRO 40 2HG PRO 40 25.911 3.236 23.250 303 HD2 PRO 40 1HD PRO 40 24.583 2.844 25.586 304 HD3 PRO 40 2HD PRO 40 25.206 4.463 25.111 305 H GLN 41 H GLN 41 20.559 3.561 24.522 306 HA GLN 41 HA GLN 41 20.086 0.877 23.556 307 HB2 GLN 41 1HB GLN 41 19.288 1.921 25.725 308 HB3 GLN 41 2HB GLN 41 18.134 2.853 24.774 309 HG2 GLN 41 1HG GLN 41 17.067 0.751 24.019 310 HG3 GLN 41 2HG GLN 41 18.245 -0.178 24.958 311 HE21 GLN 41 1HE2 GLN 41 15.491 -0.158 27.252 312 HE22 GLN 41 2HE2 GLN 41 16.161 -1.019 25.891 313 H ARG 42 H ARG 42 18.627 0.200 21.950 314 HA ARG 42 HA ARG 42 18.034 2.306 19.908 315 HB2 ARG 42 1HB ARG 42 18.875 -0.591 19.726 316 HB3 ARG 42 2HB ARG 42 18.318 0.346 18.339 317 HG2 ARG 42 1HG ARG 42 20.204 1.648 18.254 318 HG3 ARG 42 2HG ARG 42 20.521 1.516 19.990 319 HD2 ARG 42 1HD ARG 42 21.789 -0.332 19.750 320 HD3 ARG 42 2HD ARG 42 20.668 -1.053 18.577 321 HE ARG 42 HE ARG 42 21.795 -0.082 16.806 322 HH11 ARG 42 1HH1 ARG 42 23.186 1.150 19.836 323 HH12 ARG 42 2HH1 ARG 42 24.586 1.805 19.026 324 HH21 ARG 42 1HH2 ARG 42 23.584 0.783 15.869 325 HH22 ARG 42 2HH2 ARG 42 24.806 1.603 16.808 326 H GLY 43 H GLY 43 16.344 1.718 18.307 327 HA2 GLY 43 1HA GLY 43 14.308 -0.172 18.946 328 HA3 GLY 43 2HA GLY 43 13.874 1.400 19.608 329 H ILE 44 H ILE 44 12.625 2.628 18.369 330 HA ILE 44 HA ILE 44 11.749 1.754 15.835 331 HB ILE 44 HB ILE 44 10.456 3.227 17.425 332 HG12 ILE 44 1HG1 ILE 44 9.620 4.860 15.618 333 HG13 ILE 44 2HG1 ILE 44 10.793 4.120 14.553 334 HG21 ILE 44 1HG2 ILE 44 12.388 4.814 17.904 335 HG22 ILE 44 2HG2 ILE 44 12.098 5.541 16.317 336 HG23 ILE 44 3HG2 ILE 44 10.835 5.597 17.566 337 HD11 ILE 44 1HD1 ILE 44 8.442 2.773 15.882 338 HD12 ILE 44 2HD1 ILE 44 8.663 3.115 14.156 339 HD13 ILE 44 3HD1 ILE 44 9.691 1.905 14.952 340 H VAL 45 H VAL 45 14.327 4.057 16.629 341 HA VAL 45 HA VAL 45 14.622 5.148 14.041 342 HB VAL 45 HB VAL 45 15.705 6.172 15.932 343 HG11 VAL 45 1HG1 VAL 45 17.655 5.163 17.058 344 HG12 VAL 45 2HG1 VAL 45 16.171 4.231 17.307 345 HG13 VAL 45 3HG1 VAL 45 17.399 3.664 16.142 346 HG21 VAL 45 1HG2 VAL 45 17.928 6.590 15.014 347 HG22 VAL 45 2HG2 VAL 45 17.828 5.117 14.023 348 HG23 VAL 45 3HG2 VAL 45 16.736 6.481 13.698 349 H GLU 46 H GLU 46 15.754 2.014 15.312 350 HA GLU 46 HA GLU 46 17.394 1.560 12.940 351 HB2 GLU 46 1HB GLU 46 16.404 -0.397 15.018 352 HB3 GLU 46 2HB GLU 46 17.674 -0.675 13.809 353 HG2 GLU 46 1HG GLU 46 18.778 1.446 14.897 354 HG3 GLU 46 2HG GLU 46 17.739 1.046 16.270 355 H GLU 47 H GLU 47 14.060 1.207 13.805 356 HA GLU 47 HA GLU 47 13.542 -0.784 11.698 357 HB2 GLU 47 1HB GLU 47 11.610 0.840 13.401 358 HB3 GLU 47 2HB GLU 47 11.203 -0.537 12.374 359 HG2 GLU 47 1HG GLU 47 12.974 -0.600 14.837 360 HG3 GLU 47 2HG GLU 47 11.308 -1.175 14.739 361 H CYS 48 H CYS 48 13.333 2.716 12.170 362 HA CYS 48 HA CYS 48 11.982 2.948 9.518 363 HB2 CYS 48 1HB CYS 48 12.145 4.871 11.845 364 HB3 CYS 48 2HB CYS 48 11.336 5.202 10.309 365 H CYS 49 H CYS 49 15.022 3.840 11.062 366 HA CYS 49 HA CYS 49 15.519 5.769 8.827 367 HB2 CYS 49 1HB CYS 49 15.849 6.481 11.232 368 HB3 CYS 49 2HB CYS 49 17.192 5.338 11.317 369 H PHE 50 H PHE 50 16.851 2.925 10.517 370 HA PHE 50 HA PHE 50 18.910 2.595 8.424 371 HB2 PHE 50 1HB PHE 50 18.217 0.975 10.895 372 HB3 PHE 50 2HB PHE 50 19.530 0.584 9.787 373 HD1 PHE 50 HD1 PHE 50 18.339 3.104 12.259 374 HD2 PHE 50 HD2 PHE 50 21.624 1.769 9.839 375 HE1 PHE 50 HE1 PHE 50 19.853 4.586 13.532 376 HE2 PHE 50 HE2 PHE 50 23.157 3.281 11.099 377 HZ PHE 50 HZ PHE 50 22.257 4.695 12.958 378 H ARG 51 H ARG 51 15.673 1.696 8.951 379 HA ARG 51 HA ARG 51 15.740 -0.124 6.614 380 HB2 ARG 51 1HB ARG 51 14.466 -0.812 9.300 381 HB3 ARG 51 2HB ARG 51 14.077 -1.639 7.796 382 HG2 ARG 51 1HG ARG 51 16.819 -1.578 9.054 383 HG3 ARG 51 2HG ARG 51 15.649 -2.898 9.210 384 HD2 ARG 51 1HD ARG 51 15.661 -3.181 6.744 385 HD3 ARG 51 2HD ARG 51 16.874 -1.891 6.614 386 HE ARG 51 HE ARG 51 17.790 -3.907 8.416 387 HH11 ARG 51 1HH1 ARG 51 17.358 -3.339 4.962 388 HH12 ARG 51 2HH1 ARG 51 18.623 -4.455 4.521 389 HH21 ARG 51 1HH2 ARG 51 19.397 -5.313 7.780 390 HH22 ARG 51 2HH2 ARG 51 19.753 -5.552 6.092 391 H SER 52 H SER 52 13.275 -0.560 6.111 392 HA SER 52 HA SER 52 11.943 2.059 6.160 393 HB2 SER 52 1HB SER 52 11.292 -0.553 4.739 394 HB3 SER 52 2HB SER 52 10.487 0.996 4.499 395 HG SER 52 HG SER 52 12.021 0.774 2.907 396 H CYS 53 H CYS 53 9.814 2.324 6.958 397 HA CYS 53 HA CYS 53 8.526 0.014 8.301 398 HB2 CYS 53 1HB CYS 53 8.323 1.079 10.411 399 HB3 CYS 53 2HB CYS 53 10.031 1.173 9.980 400 H ASP 54 H ASP 54 6.321 0.650 9.038 401 HA ASP 54 HA ASP 54 5.168 2.894 7.427 402 HB2 ASP 54 1HB ASP 54 4.054 0.104 7.910 403 HB3 ASP 54 2HB ASP 54 3.128 1.443 7.209 404 H LEU 55 H LEU 55 3.002 3.549 8.401 405 HA LEU 55 HA LEU 55 3.332 4.417 11.030 406 HB2 LEU 55 1HB LEU 55 1.528 5.580 10.524 407 HB3 LEU 55 2HB LEU 55 1.460 4.675 9.007 408 HG LEU 55 HG LEU 55 -0.071 3.656 11.374 409 HD11 LEU 55 1HD1 LEU 55 -0.922 5.874 9.473 410 HD12 LEU 55 2HD1 LEU 55 -0.623 6.039 11.218 411 HD13 LEU 55 3HD1 LEU 55 -1.974 5.046 10.646 412 HD21 LEU 55 1HD2 LEU 55 -1.563 2.817 9.614 413 HD22 LEU 55 2HD2 LEU 55 0.091 2.298 9.253 414 HD23 LEU 55 3HD2 LEU 55 -0.618 3.659 8.364 415 H ALA 56 H ALA 56 1.961 1.388 9.939 416 HA ALA 56 HA ALA 56 0.616 0.773 12.388 417 HB1 ALA 56 1HB ALA 56 0.103 -0.102 10.118 418 HB2 ALA 56 2HB ALA 56 1.593 -1.073 10.185 419 HB3 ALA 56 3HB ALA 56 0.281 -1.384 11.354 420 H LEU 57 H LEU 57 3.821 -0.099 11.051 421 HA LEU 57 HA LEU 57 4.614 -1.787 13.261 422 HB2 LEU 57 1HB LEU 57 5.640 -1.729 10.974 423 HB3 LEU 57 2HB LEU 57 6.284 -0.133 11.310 424 HG LEU 57 HG LEU 57 7.066 -2.550 12.948 425 HD11 LEU 57 1HD1 LEU 57 7.472 -3.030 10.568 426 HD12 LEU 57 2HD1 LEU 57 9.000 -2.798 11.440 427 HD13 LEU 57 3HD1 LEU 57 8.366 -1.501 10.404 428 HD21 LEU 57 1HD2 LEU 57 7.774 -0.466 13.976 429 HD22 LEU 57 2HD2 LEU 57 8.435 0.120 12.436 430 HD23 LEU 57 3HD2 LEU 57 9.182 -1.262 13.269 431 H LEU 58 H LEU 58 4.950 1.632 12.382 432 HA LEU 58 HA LEU 58 6.613 2.434 14.468 433 HB2 LEU 58 1HB LEU 58 6.076 3.474 12.280 434 HB3 LEU 58 2HB LEU 58 4.516 3.943 12.918 435 HG LEU 58 HG LEU 58 6.883 4.840 14.405 436 HD11 LEU 58 1HD1 LEU 58 7.141 6.764 12.804 437 HD12 LEU 58 2HD1 LEU 58 6.108 5.873 11.664 438 HD13 LEU 58 3HD1 LEU 58 7.673 5.195 12.161 439 HD21 LEU 58 1HD2 LEU 58 5.448 6.952 14.362 440 HD22 LEU 58 2HD2 LEU 58 4.787 5.548 15.209 441 HD23 LEU 58 3HD2 LEU 58 4.199 5.963 13.584 442 H GLU 59 H GLU 59 3.081 2.228 14.339 443 HA GLU 59 HA GLU 59 2.518 3.684 16.709 444 HB2 GLU 59 1HB GLU 59 0.930 3.115 14.936 445 HB3 GLU 59 2HB GLU 59 1.006 1.407 15.385 446 HG2 GLU 59 1HG GLU 59 -0.058 1.827 17.485 447 HG3 GLU 59 2HG GLU 59 0.108 3.571 17.284 448 HE2 GLU 59 HE2 GLU 59 -2.444 3.716 14.944 449 H THR 60 H THR 60 3.784 0.443 16.379 450 HA THR 60 HA THR 60 2.798 -0.612 18.835 451 HB THR 60 HB THR 60 4.559 -2.281 18.660 452 HG1 THR 60 HG1 THR 60 5.634 -0.851 16.450 453 HG21 THR 60 1HG2 THR 60 4.070 -3.131 16.437 454 HG22 THR 60 2HG2 THR 60 3.622 -1.512 15.858 455 HG23 THR 60 3HG2 THR 60 2.603 -2.336 17.058 456 H TYR 61 H TYR 61 5.194 1.787 18.218 457 HA TYR 61 HA TYR 61 6.593 1.362 20.760 458 HB2 TYR 61 1HB TYR 61 6.896 3.153 18.371 459 HB3 TYR 61 2HB TYR 61 7.695 3.581 19.875 460 HD1 TYR 61 HD1 TYR 61 9.600 2.371 20.709 461 HD2 TYR 61 HD2 TYR 61 7.530 0.981 17.199 462 HE1 TYR 61 HE1 TYR 61 11.491 0.831 20.205 463 HE2 TYR 61 HE2 TYR 61 9.426 -0.552 16.693 464 HH TYR 61 HH TYR 61 11.445 -1.349 17.361 465 H CYS 62 H CYS 62 3.583 2.663 20.384 466 HA CYS 62 HA CYS 62 3.864 5.255 21.561 467 HB2 CYS 62 1HB CYS 62 1.565 3.285 21.753 468 HB3 CYS 62 2HB CYS 62 1.492 4.984 22.239 469 H ALA 63 H ALA 63 3.596 6.057 23.663 470 HA ALA 63 HA ALA 63 4.793 4.262 25.672 471 HB1 ALA 63 1HB ALA 63 4.114 7.248 25.738 472 HB2 ALA 63 2HB ALA 63 5.001 6.374 27.003 473 HB3 ALA 63 3HB ALA 63 5.703 6.541 25.381 474 H THR 64 H THR 64 2.017 6.421 25.457 475 HA THR 64 HA THR 64 0.485 4.739 27.310 476 HB THR 64 HB THR 64 1.921 6.548 28.570 477 HG1 THR 64 HG1 THR 64 0.299 5.391 29.590 478 HG21 THR 64 1HG2 THR 64 -0.425 8.267 27.731 479 HG22 THR 64 2HG2 THR 64 1.217 8.418 27.060 480 HG23 THR 64 3HG2 THR 64 0.931 8.722 28.787 481 HA PRO 65 HA PRO 65 -2.661 6.036 24.476 482 HB2 PRO 65 1HB PRO 65 -4.937 5.486 25.856 483 HB3 PRO 65 2HB PRO 65 -3.801 4.186 25.369 484 HG2 PRO 65 1HG PRO 65 -3.981 5.640 28.003 485 HG3 PRO 65 2HG PRO 65 -4.006 3.873 27.691 486 HD2 PRO 65 1HD PRO 65 -1.716 5.152 28.358 487 HD3 PRO 65 2HD PRO 65 -1.713 3.818 27.168 488 H ALA 66 H ALA 66 -4.619 7.405 24.187 489 HA ALA 66 HA ALA 66 -4.249 10.009 25.432 490 HB1 ALA 66 1HB ALA 66 -6.015 10.728 23.871 491 HB2 ALA 66 2HB ALA 66 -4.798 9.755 23.013 492 HB3 ALA 66 3HB ALA 66 -6.363 9.032 23.459 493 H LYS 67 H LYS 67 -5.665 11.122 26.730 494 HA LYS 67 HA LYS 67 -7.994 9.647 27.827 495 HB2 LYS 67 1HB LYS 67 -7.521 10.691 29.967 496 HB3 LYS 67 2HB LYS 67 -6.211 9.637 29.488 497 HG2 LYS 67 1HG LYS 67 -4.680 11.334 29.409 498 HG3 LYS 67 2HG LYS 67 -5.836 12.514 28.772 499 HD2 LYS 67 1HD LYS 67 -5.876 11.548 31.667 500 HD3 LYS 67 2HD LYS 67 -4.984 12.986 31.133 501 HE2 LYS 67 1HE LYS 67 -7.100 13.995 30.292 502 HE3 LYS 67 2HE LYS 67 -7.996 12.566 30.811 503 HZ1 LYS 67 1HZ LYS 67 -7.413 13.092 33.089 504 HZ2 LYS 67 2HZ LYS 67 -8.231 14.334 32.377 505 HZ3 LYS 67 3HZ LYS 67 -6.599 14.445 32.607 506 H SER 68 H SER 68 -8.166 11.227 25.580 507 HA SER 68 HA SER 68 -8.655 14.007 26.267 508 HB2 SER 68 1HB SER 68 -9.344 12.473 23.737 509 HB3 SER 68 2HB SER 68 -9.248 14.239 23.920 510 HG SER 68 HG SER 68 -7.320 13.447 23.055 511 H GLU 69 H GLU 69 -10.215 13.242 28.043 512 HA GLU 69 HA GLU 69 -12.956 13.703 27.087 513 HB2 GLU 69 1HB GLU 69 -12.601 11.183 27.076 514 HB3 GLU 69 2HB GLU 69 -12.235 11.287 28.803 515 HG2 GLU 69 1HG GLU 69 -14.507 12.191 29.210 516 HG3 GLU 69 2HG GLU 69 -14.857 12.059 27.481 Start of MODEL 6 1 H1 ALA 1 1H ALA 1 -0.039 1.488 -0.916 2 H2 ALA 1 2H ALA 1 1.483 0.926 -0.615 3 H3 ALA 1 3H ALA 1 1.015 2.390 -0.022 4 HA ALA 1 HA ALA 1 1.359 1.707 -2.870 5 HB1 ALA 1 1HB ALA 1 0.614 4.381 -1.563 6 HB2 ALA 1 2HB ALA 1 0.908 4.118 -3.298 7 HB3 ALA 1 3HB ALA 1 -0.490 3.351 -2.511 8 H TYR 2 H TYR 2 3.197 2.801 -3.873 9 HA TYR 2 HA TYR 2 5.568 2.687 -2.270 10 HB2 TYR 2 1HB TYR 2 5.621 2.318 -4.681 11 HB3 TYR 2 2HB TYR 2 4.976 3.937 -4.982 12 HD1 TYR 2 HD1 TYR 2 7.959 2.125 -3.583 13 HD2 TYR 2 HD2 TYR 2 6.430 5.826 -5.173 14 HE1 TYR 2 HE1 TYR 2 10.269 3.059 -3.652 15 HE2 TYR 2 HE2 TYR 2 8.753 6.739 -5.259 16 HH TYR 2 HH TYR 2 10.971 6.349 -4.829 17 H ARG 3 H ARG 3 6.834 4.313 -1.364 18 HA ARG 3 HA ARG 3 5.749 7.089 -1.494 19 HB2 ARG 3 1HB ARG 3 7.181 5.845 0.877 20 HB3 ARG 3 2HB ARG 3 6.494 7.463 0.786 21 HG2 ARG 3 1HG ARG 3 4.223 6.503 0.764 22 HG3 ARG 3 2HG ARG 3 4.913 4.863 0.794 23 HD2 ARG 3 1HD ARG 3 6.144 5.539 2.918 24 HD3 ARG 3 2HD ARG 3 5.162 7.006 2.946 25 HE ARG 3 HE ARG 3 4.344 4.266 3.616 26 HH11 ARG 3 1HH1 ARG 3 3.164 7.516 2.874 27 HH12 ARG 3 2HH1 ARG 3 1.645 7.244 3.684 28 HH21 ARG 3 1HH2 ARG 3 2.406 3.998 4.659 29 HH22 ARG 3 2HH2 ARG 3 1.219 5.280 4.653 30 HA PRO 4 HA PRO 4 10.009 7.507 -2.841 31 HB2 PRO 4 1HB PRO 4 10.336 10.213 -2.687 32 HB3 PRO 4 2HB PRO 4 9.327 9.450 -3.958 33 HG2 PRO 4 1HG PRO 4 8.464 10.680 -1.344 34 HG3 PRO 4 2HG PRO 4 7.812 10.961 -2.990 35 HD2 PRO 4 1HD PRO 4 6.638 9.225 -1.238 36 HD3 PRO 4 2HD PRO 4 6.662 8.910 -3.000 37 H SER 5 H SER 5 8.681 8.645 0.165 38 HA SER 5 HA SER 5 11.336 8.321 1.476 39 HB2 SER 5 1HB SER 5 9.152 10.294 2.258 40 HB3 SER 5 2HB SER 5 10.746 10.104 3.024 41 HG SER 5 HG SER 5 11.636 10.662 0.921 42 H GLU 6 H GLU 6 10.701 6.118 1.767 43 HA GLU 6 HA GLU 6 8.345 5.645 3.529 44 HB2 GLU 6 1HB GLU 6 8.714 3.270 3.022 45 HB3 GLU 6 2HB GLU 6 8.505 4.233 1.561 46 HG2 GLU 6 1HG GLU 6 10.939 4.208 1.176 47 HG3 GLU 6 2HG GLU 6 11.156 3.243 2.644 48 H THR 7 H THR 7 11.186 6.790 4.080 49 HA THR 7 HA THR 7 11.720 5.162 6.524 50 HB THR 7 HB THR 7 14.124 6.002 6.231 51 HG1 THR 7 HG1 THR 7 13.791 7.592 4.688 52 HG21 THR 7 1HG2 THR 7 13.080 4.184 4.033 53 HG22 THR 7 2HG2 THR 7 13.485 3.683 5.693 54 HG23 THR 7 3HG2 THR 7 14.757 4.293 4.614 55 H LEU 8 H LEU 8 12.417 6.421 8.300 56 HA LEU 8 HA LEU 8 12.015 9.378 8.040 57 HB2 LEU 8 1HB LEU 8 10.974 7.604 10.232 58 HB3 LEU 8 2HB LEU 8 10.914 9.356 10.238 59 HG LEU 8 HG LEU 8 9.470 7.575 8.372 60 HD11 LEU 8 1HD1 LEU 8 8.629 7.293 10.555 61 HD12 LEU 8 2HD1 LEU 8 7.464 8.154 9.536 62 HD13 LEU 8 3HD1 LEU 8 8.439 9.055 10.711 63 HD21 LEU 8 1HD2 LEU 8 10.009 9.937 7.541 64 HD22 LEU 8 2HD2 LEU 8 9.007 10.525 8.896 65 HD23 LEU 8 3HD2 LEU 8 8.277 9.543 7.606 66 H CYS 9 H CYS 9 13.198 10.572 9.406 67 HA CYS 9 HA CYS 9 14.734 9.235 11.538 68 HB2 CYS 9 1HB CYS 9 15.917 9.367 9.069 69 HB3 CYS 9 2HB CYS 9 16.481 10.874 9.802 70 H GLY 10 H GLY 10 15.803 10.757 12.980 71 HA2 GLY 10 1HA GLY 10 15.805 12.715 14.209 72 HA3 GLY 10 2HA GLY 10 15.708 13.553 12.652 73 H GLY 11 H GLY 11 14.273 15.127 13.004 74 HA2 GLY 11 1HA GLY 11 11.986 14.895 14.669 75 HA3 GLY 11 2HA GLY 11 12.275 16.150 13.462 76 H GLU 12 H GLU 12 12.422 13.851 11.340 77 HA GLU 12 HA GLU 12 9.663 14.053 10.522 78 HB2 GLU 12 1HB GLU 12 11.714 11.952 9.748 79 HB3 GLU 12 2HB GLU 12 10.261 12.360 8.848 80 HG2 GLU 12 1HG GLU 12 11.168 14.472 8.179 81 HG3 GLU 12 2HG GLU 12 12.538 14.303 9.288 82 H LEU 13 H LEU 13 11.641 11.607 12.161 83 HA LEU 13 HA LEU 13 9.592 9.597 12.183 84 HB2 LEU 13 1HB LEU 13 12.058 9.219 12.337 85 HB3 LEU 13 2HB LEU 13 12.039 9.883 13.961 86 HG LEU 13 HG LEU 13 10.899 8.008 14.835 87 HD11 LEU 13 1HD1 LEU 13 9.151 7.622 13.194 88 HD12 LEU 13 2HD1 LEU 13 10.060 6.124 13.414 89 HD13 LEU 13 3HD1 LEU 13 10.327 7.116 11.967 90 HD21 LEU 13 1HD2 LEU 13 12.364 6.133 14.113 91 HD22 LEU 13 2HD2 LEU 13 13.262 7.644 14.363 92 HD23 LEU 13 3HD2 LEU 13 12.881 7.095 12.711 93 H VAL 14 H VAL 14 10.764 12.046 14.489 94 HA VAL 14 HA VAL 14 9.096 11.334 16.684 95 HB VAL 14 HB VAL 14 10.250 14.031 15.831 96 HG11 VAL 14 1HG1 VAL 14 9.863 14.715 18.238 97 HG12 VAL 14 2HG1 VAL 14 8.376 14.545 17.288 98 HG13 VAL 14 3HG1 VAL 14 8.850 13.269 18.428 99 HG21 VAL 14 1HG2 VAL 14 11.134 12.036 17.962 100 HG22 VAL 14 2HG2 VAL 14 11.913 12.262 16.380 101 HG23 VAL 14 3HG2 VAL 14 11.932 13.577 17.571 102 H ASP 15 H ASP 15 8.517 13.632 13.957 103 HA ASP 15 HA ASP 15 5.988 14.530 14.897 104 HB2 ASP 15 1HB ASP 15 7.309 15.550 13.029 105 HB3 ASP 15 2HB ASP 15 6.882 14.164 12.013 106 H THR 16 H THR 16 6.854 11.731 12.811 107 HA THR 16 HA THR 16 4.119 10.987 12.352 108 HB THR 16 HB THR 16 6.581 9.203 12.353 109 HG1 THR 16 HG1 THR 16 6.953 10.912 10.968 110 HG21 THR 16 1HG2 THR 16 3.899 9.039 10.928 111 HG22 THR 16 2HG2 THR 16 4.486 7.959 12.218 112 HG23 THR 16 3HG2 THR 16 5.291 7.971 10.637 113 H LEU 17 H LEU 17 6.503 10.043 14.870 114 HA LEU 17 HA LEU 17 4.824 8.086 16.122 115 HB2 LEU 17 1HB LEU 17 7.138 9.781 17.043 116 HB3 LEU 17 2HB LEU 17 6.272 8.737 18.168 117 HG LEU 17 HG LEU 17 7.254 7.548 15.603 118 HD11 LEU 17 1HD1 LEU 17 9.411 7.064 16.531 119 HD12 LEU 17 2HD1 LEU 17 9.017 7.967 18.015 120 HD13 LEU 17 3HD1 LEU 17 9.160 8.814 16.457 121 HD21 LEU 17 1HD2 LEU 17 7.429 5.529 16.938 122 HD22 LEU 17 2HD2 LEU 17 5.841 6.257 17.241 123 HD23 LEU 17 3HD2 LEU 17 7.141 6.441 18.440 124 H GLN 18 H GLN 18 5.077 11.629 16.536 125 HA GLN 18 HA GLN 18 3.237 11.755 18.755 126 HB2 GLN 18 1HB GLN 18 4.015 13.760 16.612 127 HB3 GLN 18 2HB GLN 18 2.932 14.146 17.955 128 HG2 GLN 18 1HG GLN 18 4.669 13.719 19.572 129 HG3 GLN 18 2HG GLN 18 5.758 13.119 18.321 130 HE21 GLN 18 1HE2 GLN 18 6.259 16.795 19.305 131 HE22 GLN 18 2HE2 GLN 18 5.766 15.449 20.303 132 H PHE 19 H PHE 19 2.806 11.672 15.207 133 HA PHE 19 HA PHE 19 0.010 12.310 15.315 134 HB2 PHE 19 1HB PHE 19 1.423 12.515 13.294 135 HB3 PHE 19 2HB PHE 19 1.554 10.756 13.213 136 HD1 PHE 19 HD1 PHE 19 -0.235 9.394 12.344 137 HD2 PHE 19 HD2 PHE 19 -0.787 13.625 12.904 138 HE1 PHE 19 HE1 PHE 19 -2.344 9.286 11.025 139 HE2 PHE 19 HE2 PHE 19 -2.900 13.530 11.586 140 HZ PHE 19 HZ PHE 19 -3.684 11.357 10.642 141 H VAL 20 H VAL 20 1.698 9.104 15.112 142 HA VAL 20 HA VAL 20 -0.835 7.708 14.968 143 HB VAL 20 HB VAL 20 0.411 5.652 15.109 144 HG11 VAL 20 1HG1 VAL 20 1.989 7.681 13.516 145 HG12 VAL 20 2HG1 VAL 20 1.908 5.927 13.229 146 HG13 VAL 20 3HG1 VAL 20 0.460 6.937 12.998 147 HG21 VAL 20 1HG2 VAL 20 2.793 7.345 15.857 148 HG22 VAL 20 2HG2 VAL 20 1.925 6.206 16.904 149 HG23 VAL 20 3HG2 VAL 20 2.793 5.605 15.506 150 H CYS 21 H CYS 21 1.046 8.889 17.612 151 HA CYS 21 HA CYS 21 -0.392 7.090 19.535 152 HB2 CYS 21 1HB CYS 21 2.005 8.881 20.023 153 HB3 CYS 21 2HB CYS 21 1.317 7.712 21.150 154 H GLY 22 H GLY 22 -0.294 10.370 18.443 155 HA2 GLY 22 1HA GLY 22 -1.441 12.224 19.187 156 HA3 GLY 22 2HA GLY 22 -2.267 11.205 20.385 157 H ASP 23 H ASP 23 -1.936 13.154 21.711 158 HA ASP 23 HA ASP 23 0.654 13.953 22.644 159 HB2 ASP 23 1HB ASP 23 -1.514 15.248 22.747 160 HB3 ASP 23 2HB ASP 23 -2.020 14.174 24.061 161 H ARG 24 H ARG 24 -0.708 10.975 23.044 162 HA ARG 24 HA ARG 24 -0.305 10.707 25.939 163 HB2 ARG 24 1HB ARG 24 -0.917 8.595 23.863 164 HB3 ARG 24 2HB ARG 24 -1.044 8.415 25.617 165 HG2 ARG 24 1HG ARG 24 -2.733 10.294 23.882 166 HG3 ARG 24 2HG ARG 24 -3.257 8.749 24.548 167 HD2 ARG 24 1HD ARG 24 -4.202 10.357 25.996 168 HD3 ARG 24 2HD ARG 24 -2.804 9.738 26.885 169 HE ARG 24 HE ARG 24 -1.877 12.007 25.544 170 HH11 ARG 24 1HH1 ARG 24 -4.380 11.384 27.953 171 HH12 ARG 24 2HH1 ARG 24 -4.227 12.973 28.651 172 HH21 ARG 24 1HH2 ARG 24 -1.744 14.041 26.492 173 HH22 ARG 24 2HH2 ARG 24 -2.768 14.425 27.846 174 H GLY 25 H GLY 25 1.737 10.656 23.278 175 HA2 GLY 25 1HA GLY 25 4.045 10.594 23.524 176 HA3 GLY 25 2HA GLY 25 3.863 9.835 25.104 177 H PHE 26 H PHE 26 5.874 8.992 23.719 178 HA PHE 26 HA PHE 26 5.221 6.240 22.944 179 HB2 PHE 26 1HB PHE 26 6.370 6.503 20.745 180 HB3 PHE 26 2HB PHE 26 4.857 7.403 20.844 181 HD1 PHE 26 HD1 PHE 26 8.537 7.706 20.715 182 HD2 PHE 26 HD2 PHE 26 4.796 9.822 20.862 183 HE1 PHE 26 HE1 PHE 26 9.712 9.818 20.116 184 HE2 PHE 26 HE2 PHE 26 5.965 11.930 20.272 185 HZ PHE 26 HZ PHE 26 8.427 11.932 19.902 186 H TYR 27 H TYR 27 7.258 5.095 22.349 187 HA TYR 27 HA TYR 27 9.585 6.136 23.942 188 HB2 TYR 27 1HB TYR 27 8.864 3.326 23.006 189 HB3 TYR 27 2HB TYR 27 10.280 3.772 23.954 190 HD1 TYR 27 HD1 TYR 27 6.725 2.905 24.075 191 HD2 TYR 27 HD2 TYR 27 9.977 4.606 26.338 192 HE1 TYR 27 HE1 TYR 27 5.495 2.476 26.193 193 HE2 TYR 27 HE2 TYR 27 8.723 4.176 28.448 194 HH TYR 27 HH TYR 27 5.497 2.671 28.476 195 H PHE 28 H PHE 28 11.757 5.649 22.889 196 HA PHE 28 HA PHE 28 11.464 5.581 19.906 197 HB2 PHE 28 1HB PHE 28 13.058 7.237 21.612 198 HB3 PHE 28 2HB PHE 28 14.147 6.099 20.848 199 HD1 PHE 28 HD1 PHE 28 11.228 8.282 19.891 200 HD2 PHE 28 HD2 PHE 28 15.089 6.723 18.799 201 HE1 PHE 28 HE1 PHE 28 11.177 9.638 17.804 202 HE2 PHE 28 HE2 PHE 28 15.053 8.094 16.714 203 HZ PHE 28 HZ PHE 28 13.092 9.547 16.210 204 H ASN 29 H ASN 29 13.173 4.502 22.796 205 HA ASN 29 HA ASN 29 13.748 1.907 21.484 206 HB2 ASN 29 1HB ASN 29 15.960 2.033 22.468 207 HB3 ASN 29 2HB ASN 29 15.713 3.314 21.301 208 HD21 ASN 29 1HD2 ASN 29 17.454 4.738 24.198 209 HD22 ASN 29 2HD2 ASN 29 17.758 3.474 23.019 210 H ARG 30 H ARG 30 11.753 2.822 23.452 211 HA ARG 30 HA ARG 30 10.788 2.066 25.416 212 HB2 ARG 30 1HB ARG 30 12.049 -0.555 24.599 213 HB3 ARG 30 2HB ARG 30 10.479 -0.265 25.366 214 HG2 ARG 30 1HG ARG 30 9.972 1.127 23.270 215 HG3 ARG 30 2HG ARG 30 11.370 0.295 22.570 216 HD2 ARG 30 1HD ARG 30 8.935 -1.070 23.740 217 HD3 ARG 30 2HD ARG 30 9.193 -0.749 22.013 218 HE ARG 30 HE ARG 30 11.403 -2.189 23.211 219 HH11 ARG 30 1HH1 ARG 30 8.194 -2.632 21.793 220 HH12 ARG 30 2HH1 ARG 30 8.509 -4.292 21.370 221 HH21 ARG 30 1HH2 ARG 30 11.728 -4.312 22.648 222 HH22 ARG 30 2HH2 ARG 30 10.477 -5.224 21.846 223 HA PRO 31 HA PRO 31 14.824 1.499 27.533 224 HB2 PRO 31 1HB PRO 31 15.215 3.854 28.896 225 HB3 PRO 31 2HB PRO 31 15.612 3.636 27.177 226 HG2 PRO 31 1HG PRO 31 13.155 4.871 28.339 227 HG3 PRO 31 2HG PRO 31 14.245 5.511 27.067 228 HD2 PRO 31 1HD PRO 31 11.944 4.185 26.463 229 HD3 PRO 31 2HD PRO 31 13.404 4.033 25.447 230 H ALA 32 H ALA 32 11.999 3.015 28.704 231 HA ALA 32 HA ALA 32 10.730 2.923 30.611 232 HB1 ALA 32 1HB ALA 32 10.359 0.678 31.510 233 HB2 ALA 32 2HB ALA 32 10.512 0.608 29.738 234 HB3 ALA 32 3HB ALA 32 11.874 0.108 30.769 235 H SER 33 H SER 33 13.406 4.002 31.050 236 HA SER 33 HA SER 33 13.497 3.644 33.983 237 HB2 SER 33 1HB SER 33 16.014 3.472 33.843 238 HB3 SER 33 2HB SER 33 15.147 2.041 33.247 239 HG SER 33 HG SER 33 15.642 2.528 31.218 240 H ARG 34 H ARG 34 14.496 5.419 35.038 241 HA ARG 34 HA ARG 34 14.810 7.833 33.313 242 HB2 ARG 34 1HB ARG 34 13.418 9.114 34.845 243 HB3 ARG 34 2HB ARG 34 12.528 7.714 34.240 244 HG2 ARG 34 1HG ARG 34 13.708 6.781 36.609 245 HG3 ARG 34 2HG ARG 34 13.223 8.439 36.995 246 HD2 ARG 34 1HD ARG 34 11.410 6.314 35.775 247 HD3 ARG 34 2HD ARG 34 11.457 6.726 37.493 248 HE ARG 34 HE ARG 34 10.289 8.315 35.299 249 HH11 ARG 34 1HH1 ARG 34 11.097 8.222 38.743 250 HH12 ARG 34 2HH1 ARG 34 10.003 9.523 39.123 251 HH21 ARG 34 1HH2 ARG 34 8.921 9.967 35.872 252 HH22 ARG 34 2HH2 ARG 34 8.799 10.488 37.530 253 H VAL 35 H VAL 35 16.619 5.987 34.949 254 HA VAL 35 HA VAL 35 17.761 8.047 36.783 255 HB VAL 35 HB VAL 35 18.831 6.188 37.985 256 HG11 VAL 35 1HG1 VAL 35 15.873 5.633 37.538 257 HG12 VAL 35 2HG1 VAL 35 16.832 5.227 38.978 258 HG13 VAL 35 3HG1 VAL 35 16.520 6.928 38.573 259 HG21 VAL 35 1HG2 VAL 35 18.292 3.826 37.447 260 HG22 VAL 35 2HG2 VAL 35 17.398 4.340 36.004 261 HG23 VAL 35 3HG2 VAL 35 19.158 4.596 36.105 262 H SER 36 H SER 36 18.415 6.299 33.885 263 HA SER 36 HA SER 36 21.059 7.568 33.706 264 HB2 SER 36 1HB SER 36 20.706 4.540 33.682 265 HB3 SER 36 2HB SER 36 22.175 5.392 33.165 266 HG SER 36 HG SER 36 21.337 6.224 35.623 267 H ARG 37 H ARG 37 21.833 7.633 31.572 268 HA ARG 37 HA ARG 37 20.068 6.417 29.473 269 HB2 ARG 37 1HB ARG 37 21.341 9.186 29.422 270 HB3 ARG 37 2HB ARG 37 20.508 8.418 28.066 271 HG2 ARG 37 1HG ARG 37 18.414 8.363 29.416 272 HG3 ARG 37 2HG ARG 37 19.256 9.263 30.697 273 HD2 ARG 37 1HD ARG 37 19.743 11.080 29.077 274 HD3 ARG 37 2HD ARG 37 18.862 10.183 27.824 275 HE ARG 37 HE ARG 37 17.154 10.523 30.069 276 HH11 ARG 37 1HH1 ARG 37 18.595 12.481 27.507 277 HH12 ARG 37 2HH1 ARG 37 17.315 13.662 27.561 278 HH21 ARG 37 1HH2 ARG 37 15.556 12.078 30.083 279 HH22 ARG 37 2HH2 ARG 37 15.622 13.427 28.984 280 H ARG 38 H ARG 38 22.606 5.571 30.801 281 HA ARG 38 HA ARG 38 24.748 6.175 28.919 282 HB2 ARG 38 1HB ARG 38 26.149 4.854 30.324 283 HB3 ARG 38 2HB ARG 38 25.108 5.821 31.371 284 HG2 ARG 38 1HG ARG 38 23.709 3.853 31.851 285 HG3 ARG 38 2HG ARG 38 24.637 2.887 30.690 286 HD2 ARG 38 1HD ARG 38 25.453 2.326 32.870 287 HD3 ARG 38 2HD ARG 38 26.695 3.288 32.060 288 HE ARG 38 HE ARG 38 26.355 5.038 33.569 289 HH11 ARG 38 1HH1 ARG 38 23.980 2.494 34.196 290 HH12 ARG 38 2HH1 ARG 38 23.509 3.188 35.725 291 HH21 ARG 38 1HH2 ARG 38 25.715 5.839 35.544 292 HH22 ARG 38 2HH2 ARG 38 24.474 5.039 36.467 293 H SER 39 H SER 39 22.193 4.032 28.714 294 HA SER 39 HA SER 39 23.784 2.144 27.036 295 HB2 SER 39 1HB SER 39 21.269 1.571 28.635 296 HB3 SER 39 2HB SER 39 22.215 0.404 27.684 297 HG SER 39 HG SER 39 23.946 0.729 29.097 298 HA PRO 40 HA PRO 40 20.636 4.067 24.330 299 HB2 PRO 40 1HB PRO 40 22.103 4.292 22.053 300 HB3 PRO 40 2HB PRO 40 22.304 5.431 23.421 301 HG2 PRO 40 1HG PRO 40 23.949 3.003 22.738 302 HG3 PRO 40 2HG PRO 40 24.496 4.666 23.115 303 HD2 PRO 40 1HD PRO 40 24.443 2.670 24.976 304 HD3 PRO 40 2HD PRO 40 24.144 4.391 25.398 305 H GLN 41 H GLN 41 19.629 1.906 24.680 306 HA GLN 41 HA GLN 41 20.346 -0.323 23.013 307 HB2 GLN 41 1HB GLN 41 18.985 -0.325 25.183 308 HB3 GLN 41 2HB GLN 41 17.606 0.213 24.214 309 HG2 GLN 41 1HG GLN 41 17.715 -1.843 22.877 310 HG3 GLN 41 2HG GLN 41 19.194 -2.338 23.716 311 HE21 GLN 41 1HE2 GLN 41 17.538 -3.801 26.399 312 HE22 GLN 41 2HE2 GLN 41 19.053 -3.410 25.624 313 H ARG 42 H ARG 42 19.199 -1.164 21.206 314 HA ARG 42 HA ARG 42 18.584 0.703 19.164 315 HB2 ARG 42 1HB ARG 42 17.835 -1.271 17.919 316 HB3 ARG 42 2HB ARG 42 19.408 -1.498 18.678 317 HG2 ARG 42 1HG ARG 42 18.335 -2.842 20.452 318 HG3 ARG 42 2HG ARG 42 16.769 -2.649 19.628 319 HD2 ARG 42 1HD ARG 42 17.670 -3.734 17.619 320 HD3 ARG 42 2HD ARG 42 19.274 -3.823 18.362 321 HE ARG 42 HE ARG 42 18.591 -5.591 19.721 322 HH11 ARG 42 1HH1 ARG 42 15.836 -4.447 17.831 323 HH12 ARG 42 2HH1 ARG 42 14.876 -5.853 18.208 324 HH21 ARG 42 1HH2 ARG 42 17.315 -7.348 20.161 325 HH22 ARG 42 2HH2 ARG 42 15.705 -7.468 19.506 326 H GLY 43 H GLY 43 16.610 0.915 17.911 327 HA2 GLY 43 1HA GLY 43 14.087 0.277 19.197 328 HA3 GLY 43 2HA GLY 43 14.553 1.963 19.384 329 H ILE 44 H ILE 44 12.710 2.630 18.291 330 HA ILE 44 HA ILE 44 11.836 1.761 15.759 331 HB ILE 44 HB ILE 44 10.557 3.214 17.391 332 HG12 ILE 44 1HG1 ILE 44 9.687 4.866 15.623 333 HG13 ILE 44 2HG1 ILE 44 10.824 4.134 14.517 334 HG21 ILE 44 1HG2 ILE 44 12.152 5.553 16.260 335 HG22 ILE 44 2HG2 ILE 44 10.930 5.583 17.549 336 HG23 ILE 44 3HG2 ILE 44 12.501 4.812 17.829 337 HD11 ILE 44 1HD1 ILE 44 8.489 2.792 15.889 338 HD12 ILE 44 2HD1 ILE 44 8.692 3.119 14.158 339 HD13 ILE 44 3HD1 ILE 44 9.721 1.910 14.954 340 H VAL 45 H VAL 45 14.418 4.024 16.566 341 HA VAL 45 HA VAL 45 14.670 5.188 13.997 342 HB VAL 45 HB VAL 45 15.746 6.147 15.958 343 HG11 VAL 45 1HG1 VAL 45 16.372 4.109 17.149 344 HG12 VAL 45 2HG1 VAL 45 17.605 3.747 15.911 345 HG13 VAL 45 3HG1 VAL 45 17.768 5.180 16.946 346 HG21 VAL 45 1HG2 VAL 45 17.810 5.327 13.877 347 HG22 VAL 45 2HG2 VAL 45 16.635 6.647 13.697 348 HG23 VAL 45 3HG2 VAL 45 17.889 6.739 14.956 349 H GLU 46 H GLU 46 15.828 2.035 15.241 350 HA GLU 46 HA GLU 46 17.413 1.570 12.850 351 HB2 GLU 46 1HB GLU 46 16.320 -0.467 14.796 352 HB3 GLU 46 2HB GLU 46 17.601 -0.688 13.591 353 HG2 GLU 46 1HG GLU 46 18.822 1.206 14.835 354 HG3 GLU 46 2HG GLU 46 17.677 0.886 16.149 355 H GLU 47 H GLU 47 14.108 1.048 13.900 356 HA GLU 47 HA GLU 47 13.453 -0.772 11.750 357 HB2 GLU 47 1HB GLU 47 11.654 0.947 13.501 358 HB3 GLU 47 2HB GLU 47 11.125 -0.374 12.460 359 HG2 GLU 47 1HG GLU 47 13.008 -0.662 14.832 360 HG3 GLU 47 2HG GLU 47 11.276 -1.008 14.861 361 H CYS 48 H CYS 48 13.329 2.757 12.134 362 HA CYS 48 HA CYS 48 11.960 2.931 9.487 363 HB2 CYS 48 1HB CYS 48 12.094 4.880 11.794 364 HB3 CYS 48 2HB CYS 48 11.311 5.205 10.245 365 H CYS 49 H CYS 49 15.009 3.816 10.992 366 HA CYS 49 HA CYS 49 15.492 5.711 8.726 367 HB2 CYS 49 1HB CYS 49 15.787 6.515 11.103 368 HB3 CYS 49 2HB CYS 49 17.152 5.403 11.238 369 H PHE 50 H PHE 50 16.902 2.947 10.523 370 HA PHE 50 HA PHE 50 18.932 2.572 8.409 371 HB2 PHE 50 1HB PHE 50 18.268 0.968 10.903 372 HB3 PHE 50 2HB PHE 50 19.583 0.592 9.793 373 HD1 PHE 50 HD1 PHE 50 21.667 1.782 9.856 374 HD2 PHE 50 HD2 PHE 50 18.369 3.103 12.264 375 HE1 PHE 50 HE1 PHE 50 23.192 3.283 11.137 376 HE2 PHE 50 HE2 PHE 50 19.867 4.570 13.555 377 HZ PHE 50 HZ PHE 50 22.282 4.690 12.994 378 H ARG 51 H ARG 51 15.701 1.718 8.963 379 HA ARG 51 HA ARG 51 15.748 -0.248 6.743 380 HB2 ARG 51 1HB ARG 51 14.435 -0.718 9.453 381 HB3 ARG 51 2HB ARG 51 14.040 -1.639 8.015 382 HG2 ARG 51 1HG ARG 51 16.788 -1.517 9.253 383 HG3 ARG 51 2HG ARG 51 15.581 -2.772 9.585 384 HD2 ARG 51 1HD ARG 51 16.071 -3.839 7.715 385 HD3 ARG 51 2HD ARG 51 15.842 -2.398 6.735 386 HE ARG 51 HE ARG 51 18.236 -1.816 7.708 387 HH11 ARG 51 1HH1 ARG 51 17.152 -4.929 6.417 388 HH12 ARG 51 2HH1 ARG 51 18.754 -5.371 5.894 389 HH21 ARG 51 1HH2 ARG 51 20.230 -2.452 7.019 390 HH22 ARG 51 2HH2 ARG 51 20.471 -3.990 6.233 391 H SER 52 H SER 52 13.298 -0.688 6.238 392 HA SER 52 HA SER 52 11.967 1.981 6.162 393 HB2 SER 52 1HB SER 52 12.337 0.672 4.038 394 HB3 SER 52 2HB SER 52 11.274 -0.594 4.686 395 HG SER 52 HG SER 52 9.628 1.056 4.821 396 H CYS 53 H CYS 53 9.832 2.234 6.969 397 HA CYS 53 HA CYS 53 8.596 -0.104 8.349 398 HB2 CYS 53 1HB CYS 53 8.316 1.062 10.400 399 HB3 CYS 53 2HB CYS 53 10.026 1.156 9.993 400 H ASP 54 H ASP 54 6.338 0.563 9.104 401 HA ASP 54 HA ASP 54 5.192 2.713 7.386 402 HB2 ASP 54 1HB ASP 54 4.783 0.079 6.811 403 HB3 ASP 54 2HB ASP 54 3.470 0.357 7.967 404 H LEU 55 H LEU 55 2.938 3.302 8.312 405 HA LEU 55 HA LEU 55 3.383 4.320 10.899 406 HB2 LEU 55 1HB LEU 55 1.532 5.466 10.504 407 HB3 LEU 55 2HB LEU 55 1.518 4.638 8.944 408 HG LEU 55 HG LEU 55 -0.070 3.509 11.224 409 HD11 LEU 55 1HD1 LEU 55 -0.654 5.884 11.106 410 HD12 LEU 55 2HD1 LEU 55 -1.967 4.884 10.460 411 HD13 LEU 55 3HD1 LEU 55 -0.889 5.758 9.347 412 HD21 LEU 55 1HD2 LEU 55 -0.498 3.565 8.197 413 HD22 LEU 55 2HD2 LEU 55 -1.477 2.683 9.391 414 HD23 LEU 55 3HD2 LEU 55 0.200 2.200 9.088 415 H ALA 56 H ALA 56 1.917 1.294 9.977 416 HA ALA 56 HA ALA 56 0.618 0.807 12.475 417 HB1 ALA 56 1HB ALA 56 1.513 -1.153 10.340 418 HB2 ALA 56 2HB ALA 56 0.204 -1.370 11.534 419 HB3 ALA 56 3HB ALA 56 0.053 -0.137 10.246 420 H LEU 57 H LEU 57 3.794 -0.132 11.133 421 HA LEU 57 HA LEU 57 4.607 -1.767 13.377 422 HB2 LEU 57 1HB LEU 57 5.655 -1.796 11.122 423 HB3 LEU 57 2HB LEU 57 6.232 -0.158 11.356 424 HG LEU 57 HG LEU 57 7.143 -2.431 13.133 425 HD11 LEU 57 1HD1 LEU 57 9.049 -2.717 11.618 426 HD12 LEU 57 2HD1 LEU 57 8.390 -1.481 10.523 427 HD13 LEU 57 3HD1 LEU 57 7.529 -3.020 10.760 428 HD21 LEU 57 1HD2 LEU 57 7.747 -0.233 14.002 429 HD22 LEU 57 2HD2 LEU 57 8.406 0.246 12.426 430 HD23 LEU 57 3HD2 LEU 57 9.180 -1.037 13.378 431 H LEU 58 H LEU 58 4.945 1.631 12.417 432 HA LEU 58 HA LEU 58 6.624 2.461 14.487 433 HB2 LEU 58 1HB LEU 58 6.101 3.464 12.280 434 HB3 LEU 58 2HB LEU 58 4.548 3.969 12.906 435 HG LEU 58 HG LEU 58 6.954 4.858 14.349 436 HD11 LEU 58 1HD1 LEU 58 7.676 5.199 12.078 437 HD12 LEU 58 2HD1 LEU 58 7.162 6.771 12.721 438 HD13 LEU 58 3HD1 LEU 58 6.094 5.870 11.624 439 HD21 LEU 58 1HD2 LEU 58 4.885 5.581 15.207 440 HD22 LEU 58 2HD2 LEU 58 4.269 6.010 13.596 441 HD23 LEU 58 3HD2 LEU 58 5.552 6.973 14.346 442 H GLU 59 H GLU 59 3.096 2.314 14.331 443 HA GLU 59 HA GLU 59 2.545 3.770 16.704 444 HB2 GLU 59 1HB GLU 59 0.983 3.175 14.863 445 HB3 GLU 59 2HB GLU 59 0.957 1.507 15.449 446 HG2 GLU 59 1HG GLU 59 -0.134 2.154 17.471 447 HG3 GLU 59 2HG GLU 59 0.175 3.858 17.156 448 HE2 GLU 59 HE2 GLU 59 -1.482 4.783 16.706 449 H THR 60 H THR 60 3.809 0.526 16.379 450 HA THR 60 HA THR 60 2.769 -0.475 18.857 451 HB THR 60 HB THR 60 4.416 -2.234 18.687 452 HG1 THR 60 HG1 THR 60 5.590 -0.838 16.497 453 HG21 THR 60 1HG2 THR 60 2.463 -2.150 17.067 454 HG22 THR 60 2HG2 THR 60 3.868 -3.082 16.490 455 HG23 THR 60 3HG2 THR 60 3.566 -1.444 15.870 456 H TYR 61 H TYR 61 5.189 1.879 18.212 457 HA TYR 61 HA TYR 61 6.585 1.445 20.767 458 HB2 TYR 61 1HB TYR 61 6.910 3.265 18.404 459 HB3 TYR 61 2HB TYR 61 7.633 3.724 19.943 460 HD1 TYR 61 HD1 TYR 61 9.562 2.623 20.828 461 HD2 TYR 61 HD2 TYR 61 7.640 1.093 17.294 462 HE1 TYR 61 HE1 TYR 61 11.500 1.105 20.454 463 HE2 TYR 61 HE2 TYR 61 9.585 -0.423 16.887 464 HH TYR 61 HH TYR 61 12.371 -0.577 19.130 465 H CYS 62 H CYS 62 3.587 2.741 20.131 466 HA CYS 62 HA CYS 62 3.712 5.243 21.514 467 HB2 CYS 62 1HB CYS 62 1.426 3.261 21.260 468 HB3 CYS 62 2HB CYS 62 1.274 4.899 21.902 469 H ALA 63 H ALA 63 3.120 5.833 23.611 470 HA ALA 63 HA ALA 63 3.914 3.811 25.621 471 HB1 ALA 63 1HB ALA 63 5.006 6.049 25.600 472 HB2 ALA 63 2HB ALA 63 3.419 6.813 25.879 473 HB3 ALA 63 3HB ALA 63 4.130 5.755 27.121 474 H THR 64 H THR 64 1.223 3.762 24.255 475 HA THR 64 HA THR 64 -0.384 3.582 26.677 476 HB THR 64 HB THR 64 -0.472 6.024 25.726 477 HG1 THR 64 HG1 THR 64 -1.879 5.277 27.291 478 HG21 THR 64 1HG2 THR 64 -2.102 6.430 23.985 479 HG22 THR 64 2HG2 THR 64 -2.458 4.696 23.857 480 HG23 THR 64 3HG2 THR 64 -0.870 5.321 23.356 481 HA PRO 65 HA PRO 65 -1.892 0.278 24.122 482 HB2 PRO 65 1HB PRO 65 -4.249 -0.355 25.313 483 HB3 PRO 65 2HB PRO 65 -2.685 -0.587 26.163 484 HG2 PRO 65 1HG PRO 65 -4.617 1.718 26.351 485 HG3 PRO 65 2HG PRO 65 -3.894 0.744 27.674 486 HD2 PRO 65 1HD PRO 65 -2.844 3.136 26.903 487 HD3 PRO 65 2HD PRO 65 -1.801 1.789 27.450 488 H ALA 66 H ALA 66 -3.630 -0.376 22.662 489 HA ALA 66 HA ALA 66 -4.663 1.788 21.098 490 HB1 ALA 66 1HB ALA 66 -4.119 -0.456 20.174 491 HB2 ALA 66 2HB ALA 66 -5.436 -1.169 21.138 492 HB3 ALA 66 3HB ALA 66 -5.809 -0.010 19.838 493 H LYS 67 H LYS 67 -6.769 2.569 20.898 494 HA LYS 67 HA LYS 67 -8.736 1.735 22.984 495 HB2 LYS 67 1HB LYS 67 -7.848 4.524 22.197 496 HB3 LYS 67 2HB LYS 67 -9.351 4.199 23.063 497 HG2 LYS 67 1HG LYS 67 -8.299 3.771 25.027 498 HG3 LYS 67 2HG LYS 67 -6.934 2.968 24.238 499 HD2 LYS 67 1HD LYS 67 -6.161 5.222 23.445 500 HD3 LYS 67 2HD LYS 67 -7.393 5.940 24.510 501 HE2 LYS 67 1HE LYS 67 -6.372 4.819 26.448 502 HE3 LYS 67 2HE LYS 67 -5.192 4.025 25.376 503 HZ1 LYS 67 1HZ LYS 67 -4.471 6.267 24.714 504 HZ2 LYS 67 2HZ LYS 67 -4.178 5.932 26.298 505 HZ3 LYS 67 3HZ LYS 67 -5.439 6.920 25.880 506 H SER 68 H SER 68 -9.765 0.515 21.412 507 HA SER 68 HA SER 68 -10.915 1.976 19.092 508 HB2 SER 68 1HB SER 68 -10.983 -0.990 19.766 509 HB3 SER 68 2HB SER 68 -11.444 -0.230 18.226 510 HG SER 68 HG SER 68 -9.366 -0.977 18.000 511 H GLU 69 H GLU 69 -11.778 2.626 21.736 512 HA GLU 69 HA GLU 69 -14.632 1.961 21.580 513 HB2 GLU 69 1HB GLU 69 -14.785 1.176 23.868 514 HB3 GLU 69 2HB GLU 69 -13.654 0.126 23.007 515 HG2 GLU 69 1HG GLU 69 -11.750 1.364 24.024 516 HG3 GLU 69 2HG GLU 69 -12.895 2.400 24.885 Start of MODEL 7 1 H1 ALA 1 1H ALA 1 14.248 15.611 -7.937 2 H2 ALA 1 2H ALA 1 13.790 16.251 -6.487 3 H3 ALA 1 3H ALA 1 14.342 14.701 -6.562 4 HA ALA 1 HA ALA 1 11.848 15.709 -7.762 5 HB1 ALA 1 1HB ALA 1 12.895 13.895 -9.132 6 HB2 ALA 1 2HB ALA 1 12.977 12.858 -7.684 7 HB3 ALA 1 3HB ALA 1 11.398 13.334 -8.352 8 H TYR 2 H TYR 2 9.911 14.728 -6.749 9 HA TYR 2 HA TYR 2 10.014 14.916 -3.885 10 HB2 TYR 2 1HB TYR 2 8.018 15.467 -5.218 11 HB3 TYR 2 2HB TYR 2 7.911 13.795 -5.783 12 HD1 TYR 2 HD1 TYR 2 7.724 15.927 -2.693 13 HD2 TYR 2 HD2 TYR 2 6.743 12.141 -4.505 14 HE1 TYR 2 HE1 TYR 2 6.335 15.328 -0.712 15 HE2 TYR 2 HE2 TYR 2 5.343 11.565 -2.519 16 HH TYR 2 HH TYR 2 4.624 12.223 -0.429 17 H ARG 3 H ARG 3 9.770 13.281 -2.314 18 HA ARG 3 HA ARG 3 9.996 10.457 -3.241 19 HB2 ARG 3 1HB ARG 3 11.603 11.910 -1.112 20 HB3 ARG 3 2HB ARG 3 11.256 10.186 -0.966 21 HG2 ARG 3 1HG ARG 3 12.371 9.761 -3.110 22 HG3 ARG 3 2HG ARG 3 12.791 11.486 -3.232 23 HD2 ARG 3 1HD ARG 3 14.172 11.384 -1.286 24 HD3 ARG 3 2HD ARG 3 13.504 9.822 -0.793 25 HE ARG 3 HE ARG 3 15.586 10.308 -2.806 26 HH11 ARG 3 1HH1 ARG 3 13.410 7.903 -1.361 27 HH12 ARG 3 2HH1 ARG 3 14.349 6.569 -1.955 28 HH21 ARG 3 1HH2 ARG 3 16.731 8.539 -3.518 29 HH22 ARG 3 2HH2 ARG 3 16.192 6.925 -3.143 30 HA PRO 4 HA PRO 4 6.504 10.381 -0.456 31 HB2 PRO 4 1HB PRO 4 6.277 7.719 0.025 32 HB3 PRO 4 2HB PRO 4 5.922 8.418 -1.586 33 HG2 PRO 4 1HG PRO 4 8.449 7.105 -0.614 34 HG3 PRO 4 2HG PRO 4 7.500 6.760 -2.098 35 HD2 PRO 4 1HD PRO 4 9.680 8.374 -2.136 36 HD3 PRO 4 2HD PRO 4 8.244 8.708 -3.163 37 H SER 5 H SER 5 9.625 9.265 0.344 38 HA SER 5 HA SER 5 10.837 9.073 2.251 39 HB2 SER 5 1HB SER 5 9.446 11.257 2.745 40 HB3 SER 5 2HB SER 5 8.705 10.238 3.990 41 HG SER 5 HG SER 5 10.759 9.866 4.858 42 H GLU 6 H GLU 6 10.328 6.817 1.749 43 HA GLU 6 HA GLU 6 8.479 5.340 3.417 44 HB2 GLU 6 1HB GLU 6 9.566 3.389 2.484 45 HB3 GLU 6 2HB GLU 6 9.339 4.576 1.199 46 HG2 GLU 6 1HG GLU 6 11.934 5.014 2.359 47 HG3 GLU 6 2HG GLU 6 11.758 3.284 2.039 48 H THR 7 H THR 7 11.250 7.015 4.141 49 HA THR 7 HA THR 7 11.805 5.368 6.553 50 HB THR 7 HB THR 7 14.225 6.177 6.296 51 HG1 THR 7 HG1 THR 7 13.533 6.475 3.567 52 HG21 THR 7 1HG2 THR 7 13.198 4.373 4.076 53 HG22 THR 7 2HG2 THR 7 13.535 3.862 5.742 54 HG23 THR 7 3HG2 THR 7 14.858 4.441 4.711 55 H LEU 8 H LEU 8 12.500 6.587 8.339 56 HA LEU 8 HA LEU 8 12.208 9.558 8.152 57 HB2 LEU 8 1HB LEU 8 11.024 7.788 10.287 58 HB3 LEU 8 2HB LEU 8 11.025 9.542 10.305 59 HG LEU 8 HG LEU 8 9.606 7.843 8.329 60 HD11 LEU 8 1HD1 LEU 8 8.635 7.512 10.451 61 HD12 LEU 8 2HD1 LEU 8 7.562 8.454 9.404 62 HD13 LEU 8 3HD1 LEU 8 8.495 9.272 10.667 63 HD21 LEU 8 1HD2 LEU 8 8.499 9.904 7.610 64 HD22 LEU 8 2HD2 LEU 8 10.253 10.191 7.580 65 HD23 LEU 8 3HD2 LEU 8 9.274 10.804 8.936 66 H CYS 9 H CYS 9 13.353 10.623 9.785 67 HA CYS 9 HA CYS 9 14.961 8.918 11.604 68 HB2 CYS 9 1HB CYS 9 16.090 9.707 9.246 69 HB3 CYS 9 2HB CYS 9 16.576 11.030 10.312 70 H GLY 10 H GLY 10 16.655 11.090 12.515 71 HA2 GLY 10 1HA GLY 10 15.166 12.002 14.623 72 HA3 GLY 10 2HA GLY 10 16.555 12.884 13.982 73 H GLY 11 H GLY 11 13.711 13.505 15.131 74 HA2 GLY 11 1HA GLY 11 12.419 15.434 14.909 75 HA3 GLY 11 2HA GLY 11 13.221 15.794 13.373 76 H GLU 12 H GLU 12 12.688 13.972 11.619 77 HA GLU 12 HA GLU 12 9.895 14.304 11.056 78 HB2 GLU 12 1HB GLU 12 11.944 12.380 9.901 79 HB3 GLU 12 2HB GLU 12 10.358 12.707 9.194 80 HG2 GLU 12 1HG GLU 12 10.953 15.011 8.780 81 HG3 GLU 12 2HG GLU 12 12.501 14.803 9.612 82 H LEU 13 H LEU 13 11.750 11.566 12.371 83 HA LEU 13 HA LEU 13 9.593 9.687 12.231 84 HB2 LEU 13 1HB LEU 13 12.027 9.194 12.463 85 HB3 LEU 13 2HB LEU 13 11.969 9.767 14.117 86 HG LEU 13 HG LEU 13 10.757 7.884 14.848 87 HD11 LEU 13 1HD1 LEU 13 9.039 7.670 13.134 88 HD12 LEU 13 2HD1 LEU 13 9.878 6.127 13.310 89 HD13 LEU 13 3HD1 LEU 13 10.231 7.172 11.921 90 HD21 LEU 13 1HD2 LEU 13 12.763 7.075 12.701 91 HD22 LEU 13 2HD2 LEU 13 12.193 6.021 14.009 92 HD23 LEU 13 3HD2 LEU 13 13.116 7.488 14.398 93 H VAL 14 H VAL 14 10.697 12.017 14.649 94 HA VAL 14 HA VAL 14 8.935 11.228 16.774 95 HB VAL 14 HB VAL 14 10.365 13.841 16.106 96 HG11 VAL 14 1HG1 VAL 14 9.817 14.542 18.467 97 HG12 VAL 14 2HG1 VAL 14 8.436 14.546 17.355 98 HG13 VAL 14 3HG1 VAL 14 8.635 13.221 18.514 99 HG21 VAL 14 1HG2 VAL 14 11.830 13.228 17.950 100 HG22 VAL 14 2HG2 VAL 14 10.825 11.805 18.312 101 HG23 VAL 14 3HG2 VAL 14 11.748 11.882 16.791 102 H ASP 15 H ASP 15 8.672 13.568 14.074 103 HA ASP 15 HA ASP 15 6.168 14.651 14.823 104 HB2 ASP 15 1HB ASP 15 7.797 15.433 13.020 105 HB3 ASP 15 2HB ASP 15 7.114 14.173 11.982 106 H THR 16 H THR 16 6.974 11.802 12.807 107 HA THR 16 HA THR 16 4.222 11.167 12.240 108 HB THR 16 HB THR 16 6.650 9.346 12.260 109 HG1 THR 16 HG1 THR 16 6.812 11.262 10.934 110 HG21 THR 16 1HG2 THR 16 4.580 8.078 12.115 111 HG22 THR 16 2HG2 THR 16 5.356 8.131 10.520 112 HG23 THR 16 3HG2 THR 16 3.959 9.177 10.855 113 H LEU 17 H LEU 17 6.439 10.175 14.874 114 HA LEU 17 HA LEU 17 4.656 8.223 16.005 115 HB2 LEU 17 1HB LEU 17 6.936 9.869 17.084 116 HB3 LEU 17 2HB LEU 17 5.980 8.831 18.147 117 HG LEU 17 HG LEU 17 7.048 7.634 15.619 118 HD11 LEU 17 1HD1 LEU 17 9.169 7.094 16.592 119 HD12 LEU 17 2HD1 LEU 17 8.764 7.985 18.081 120 HD13 LEU 17 3HD1 LEU 17 8.969 8.848 16.539 121 HD21 LEU 17 1HD2 LEU 17 5.564 6.366 17.193 122 HD22 LEU 17 2HD2 LEU 17 6.812 6.532 18.446 123 HD23 LEU 17 3HD2 LEU 17 7.152 5.613 16.961 124 H GLN 18 H GLN 18 4.918 11.766 16.391 125 HA GLN 18 HA GLN 18 2.808 11.924 18.383 126 HB2 GLN 18 1HB GLN 18 3.835 13.962 16.380 127 HB3 GLN 18 2HB GLN 18 2.676 14.315 17.661 128 HG2 GLN 18 1HG GLN 18 4.346 13.731 19.365 129 HG3 GLN 18 2HG GLN 18 5.514 13.345 18.103 130 HE21 GLN 18 1HE2 GLN 18 5.712 16.875 17.073 131 HE22 GLN 18 2HE2 GLN 18 5.337 15.351 16.313 132 H PHE 19 H PHE 19 2.883 11.812 14.805 133 HA PHE 19 HA PHE 19 0.152 12.608 14.469 134 HB2 PHE 19 1HB PHE 19 1.856 12.574 12.665 135 HB3 PHE 19 2HB PHE 19 1.844 10.811 12.703 136 HD1 PHE 19 HD1 PHE 19 0.076 9.528 11.682 137 HD2 PHE 19 HD2 PHE 19 -0.140 13.823 11.853 138 HE1 PHE 19 HE1 PHE 19 -1.818 9.489 10.065 139 HE2 PHE 19 HE2 PHE 19 -2.035 13.798 10.235 140 HZ PHE 19 HZ PHE 19 -2.883 11.627 9.341 141 H VAL 20 H VAL 20 1.631 9.322 14.841 142 HA VAL 20 HA VAL 20 -0.943 8.071 14.400 143 HB VAL 20 HB VAL 20 0.124 5.941 14.873 144 HG11 VAL 20 1HG1 VAL 20 0.530 7.052 12.701 145 HG12 VAL 20 2HG1 VAL 20 2.043 7.709 13.361 146 HG13 VAL 20 3HG1 VAL 20 1.840 5.949 13.193 147 HG21 VAL 20 1HG2 VAL 20 2.567 7.505 15.734 148 HG22 VAL 20 2HG2 VAL 20 1.474 6.633 16.821 149 HG23 VAL 20 3HG2 VAL 20 2.404 5.736 15.625 150 H CYS 21 H CYS 21 0.722 9.154 17.287 151 HA CYS 21 HA CYS 21 -1.518 7.981 18.914 152 HB2 CYS 21 1HB CYS 21 1.451 7.919 19.451 153 HB3 CYS 21 2HB CYS 21 0.257 7.653 20.732 154 H GLY 22 H GLY 22 -0.026 10.941 18.197 155 HA2 GLY 22 1HA GLY 22 -0.482 12.998 19.123 156 HA3 GLY 22 2HA GLY 22 -1.562 12.212 20.281 157 H ASP 23 H ASP 23 -0.666 13.915 21.657 158 HA ASP 23 HA ASP 23 2.055 13.787 22.588 159 HB2 ASP 23 1HB ASP 23 0.402 15.756 22.679 160 HB3 ASP 23 2HB ASP 23 -0.286 14.960 24.103 161 H ARG 24 H ARG 24 -0.232 11.473 22.920 162 HA ARG 24 HA ARG 24 -0.234 10.882 25.710 163 HB2 ARG 24 1HB ARG 24 -0.452 8.975 23.348 164 HB3 ARG 24 2HB ARG 24 -0.968 8.648 24.999 165 HG2 ARG 24 1HG ARG 24 -2.217 10.603 23.018 166 HG3 ARG 24 2HG ARG 24 -2.932 9.133 23.692 167 HD2 ARG 24 1HD ARG 24 -2.382 11.768 25.089 168 HD3 ARG 24 2HD ARG 24 -3.947 10.964 24.834 169 HE ARG 24 HE ARG 24 -2.187 9.266 26.303 170 HH11 ARG 24 1HH1 ARG 24 -4.067 12.209 26.788 171 HH12 ARG 24 2HH1 ARG 24 -4.214 11.951 28.505 172 HH21 ARG 24 1HH2 ARG 24 -2.421 8.990 28.499 173 HH22 ARG 24 2HH2 ARG 24 -3.294 10.155 29.456 174 H GLY 25 H GLY 25 2.261 10.714 23.399 175 HA2 GLY 25 1HA GLY 25 4.489 10.451 24.085 176 HA3 GLY 25 2HA GLY 25 3.960 9.504 25.480 177 H PHE 26 H PHE 26 6.118 8.823 23.899 178 HA PHE 26 HA PHE 26 5.360 6.128 23.080 179 HB2 PHE 26 1HB PHE 26 6.484 6.440 20.824 180 HB3 PHE 26 2HB PHE 26 4.887 7.176 20.987 181 HD1 PHE 26 HD1 PHE 26 8.525 7.898 20.840 182 HD2 PHE 26 HD2 PHE 26 4.538 9.531 20.877 183 HE1 PHE 26 HE1 PHE 26 9.435 10.121 20.186 184 HE2 PHE 26 HE2 PHE 26 5.441 11.757 20.233 185 HZ PHE 26 HZ PHE 26 7.892 12.056 19.906 186 H TYR 27 H TYR 27 7.315 4.930 22.437 187 HA TYR 27 HA TYR 27 9.673 5.823 24.056 188 HB2 TYR 27 1HB TYR 27 8.792 3.125 22.924 189 HB3 TYR 27 2HB TYR 27 10.286 3.397 23.818 190 HD1 TYR 27 HD1 TYR 27 6.537 3.179 24.137 191 HD2 TYR 27 HD2 TYR 27 10.288 3.604 26.244 192 HE1 TYR 27 HE1 TYR 27 5.432 2.591 26.276 193 HE2 TYR 27 HE2 TYR 27 9.135 3.041 28.377 194 HH TYR 27 HH TYR 27 7.160 2.485 29.385 195 H PHE 28 H PHE 28 11.823 5.480 22.957 196 HA PHE 28 HA PHE 28 11.529 5.464 19.973 197 HB2 PHE 28 1HB PHE 28 13.029 7.206 21.683 198 HB3 PHE 28 2HB PHE 28 14.176 6.148 20.895 199 HD1 PHE 28 HD1 PHE 28 11.146 8.205 20.009 200 HD2 PHE 28 HD2 PHE 28 15.017 6.750 18.806 201 HE1 PHE 28 HE1 PHE 28 10.989 9.532 17.911 202 HE2 PHE 28 HE2 PHE 28 14.874 8.094 16.710 203 HZ PHE 28 HZ PHE 28 12.853 9.479 16.256 204 H ASN 29 H ASN 29 13.290 4.442 22.829 205 HA ASN 29 HA ASN 29 14.191 1.972 21.451 206 HB2 ASN 29 1HB ASN 29 16.391 2.374 22.432 207 HB3 ASN 29 2HB ASN 29 15.951 3.671 21.337 208 HD21 ASN 29 1HD2 ASN 29 17.441 5.003 24.514 209 HD22 ASN 29 2HD2 ASN 29 17.928 3.745 23.406 210 H ARG 30 H ARG 30 12.097 2.649 23.425 211 HA ARG 30 HA ARG 30 11.247 1.814 25.415 212 HB2 ARG 30 1HB ARG 30 12.709 -0.682 24.612 213 HB3 ARG 30 2HB ARG 30 11.101 -0.500 25.310 214 HG2 ARG 30 1HG ARG 30 10.608 0.808 23.116 215 HG3 ARG 30 2HG ARG 30 12.056 -0.049 22.529 216 HD2 ARG 30 1HD ARG 30 9.547 -1.272 23.722 217 HD3 ARG 30 2HD ARG 30 10.033 -1.327 22.010 218 HE ARG 30 HE ARG 30 12.176 -2.390 23.529 219 HH11 ARG 30 1HH1 ARG 30 8.830 -3.306 22.814 220 HH12 ARG 30 2HH1 ARG 30 9.155 -5.000 23.061 221 HH21 ARG 30 1HH2 ARG 30 12.513 -4.511 23.819 222 HH22 ARG 30 2HH2 ARG 30 11.225 -5.680 23.619 223 HA PRO 31 HA PRO 31 15.404 1.540 27.405 224 HB2 PRO 31 1HB PRO 31 15.502 3.807 28.991 225 HB3 PRO 31 2HB PRO 31 15.969 3.767 27.275 226 HG2 PRO 31 1HG PRO 31 13.353 4.636 28.444 227 HG3 PRO 31 2HG PRO 31 14.386 5.477 27.241 228 HD2 PRO 31 1HD PRO 31 12.263 3.975 26.479 229 HD3 PRO 31 2HD PRO 31 13.766 3.994 25.516 230 H ALA 32 H ALA 32 12.510 2.729 28.894 231 HA ALA 32 HA ALA 32 11.390 2.310 30.840 232 HB1 ALA 32 1HB ALA 32 12.567 -0.470 30.459 233 HB2 ALA 32 2HB ALA 32 11.096 -0.064 31.373 234 HB3 ALA 32 3HB ALA 32 11.139 0.165 29.610 235 H SER 33 H SER 33 14.102 3.313 31.276 236 HA SER 33 HA SER 33 14.306 2.688 34.137 237 HB2 SER 33 1HB SER 33 16.752 2.164 33.921 238 HB3 SER 33 2HB SER 33 15.710 0.925 33.191 239 HG SER 33 HG SER 33 16.221 1.612 31.198 240 H ARG 34 H ARG 34 15.718 4.271 35.199 241 HA ARG 34 HA ARG 34 16.221 6.656 33.497 242 HB2 ARG 34 1HB ARG 34 15.346 8.121 35.195 243 HB3 ARG 34 2HB ARG 34 14.117 6.918 34.799 244 HG2 ARG 34 1HG ARG 34 14.629 5.669 36.857 245 HG3 ARG 34 2HG ARG 34 15.955 6.790 37.227 246 HD2 ARG 34 1HD ARG 34 14.306 8.663 37.287 247 HD3 ARG 34 2HD ARG 34 13.002 7.473 37.083 248 HE ARG 34 HE ARG 34 14.596 6.650 39.272 249 HH11 ARG 34 1HH1 ARG 34 12.429 9.333 38.507 250 HH12 ARG 34 2HH1 ARG 34 11.994 9.577 40.177 251 HH21 ARG 34 1HH2 ARG 34 13.998 7.029 41.382 252 HH22 ARG 34 2HH2 ARG 34 12.873 8.300 41.771 253 H VAL 35 H VAL 35 17.857 4.475 34.933 254 HA VAL 35 HA VAL 35 19.562 6.149 36.662 255 HB VAL 35 HB VAL 35 20.960 4.093 36.930 256 HG11 VAL 35 1HG1 VAL 35 19.041 4.557 38.438 257 HG12 VAL 35 2HG1 VAL 35 17.985 3.591 37.380 258 HG13 VAL 35 3HG1 VAL 35 19.334 2.817 38.240 259 HG21 VAL 35 1HG2 VAL 35 20.599 3.006 34.738 260 HG22 VAL 35 2HG2 VAL 35 20.143 1.911 36.054 261 HG23 VAL 35 3HG2 VAL 35 18.881 2.745 35.126 262 H SER 36 H SER 36 19.562 4.655 33.469 263 HA SER 36 HA SER 36 21.261 6.694 32.379 264 HB2 SER 36 1HB SER 36 23.075 5.229 31.616 265 HB3 SER 36 2HB SER 36 23.010 5.169 33.389 266 HG SER 36 HG SER 36 23.062 3.081 32.852 267 H ARG 37 H ARG 37 21.209 6.258 29.950 268 HA ARG 37 HA ARG 37 19.388 4.075 29.151 269 HB2 ARG 37 1HB ARG 37 18.002 5.601 27.819 270 HB3 ARG 37 2HB ARG 37 17.862 5.868 29.551 271 HG2 ARG 37 1HG ARG 37 19.398 7.843 29.318 272 HG3 ARG 37 2HG ARG 37 19.327 7.622 27.553 273 HD2 ARG 37 1HD ARG 37 16.853 7.816 27.650 274 HD3 ARG 37 2HD ARG 37 16.945 8.049 29.405 275 HE ARG 37 HE ARG 37 18.567 9.997 28.071 276 HH11 ARG 37 1HH1 ARG 37 15.167 9.269 28.693 277 HH12 ARG 37 2HH1 ARG 37 14.687 10.938 28.545 278 HH21 ARG 37 1HH2 ARG 37 17.873 12.112 27.902 279 HH22 ARG 37 2HH2 ARG 37 16.192 12.511 28.115 280 H ARG 38 H ARG 38 22.204 4.505 28.938 281 HA ARG 38 HA ARG 38 22.679 5.139 26.070 282 HB2 ARG 38 1HB ARG 38 24.549 4.286 28.324 283 HB3 ARG 38 2HB ARG 38 25.058 4.613 26.666 284 HG2 ARG 38 1HG ARG 38 24.303 6.958 26.893 285 HG3 ARG 38 2HG ARG 38 23.857 6.638 28.585 286 HD2 ARG 38 1HD ARG 38 26.203 5.967 29.059 287 HD3 ARG 38 2HD ARG 38 26.646 6.316 27.384 288 HE ARG 38 HE ARG 38 26.124 8.247 29.543 289 HH11 ARG 38 1HH1 ARG 38 26.699 7.836 26.075 290 HH12 ARG 38 2HH1 ARG 38 27.165 9.502 25.867 291 HH21 ARG 38 1HH2 ARG 38 26.730 10.355 29.189 292 HH22 ARG 38 2HH2 ARG 38 27.181 10.894 27.595 293 H SER 39 H SER 39 21.736 2.489 27.948 294 HA SER 39 HA SER 39 23.332 0.399 27.004 295 HB2 SER 39 1HB SER 39 20.376 0.228 27.650 296 HB3 SER 39 2HB SER 39 21.608 -1.041 27.845 297 HG SER 39 HG SER 39 21.234 -0.058 29.836 298 HA PRO 40 HA PRO 40 21.757 0.229 22.877 299 HB2 PRO 40 1HB PRO 40 22.871 -2.084 21.956 300 HB3 PRO 40 2HB PRO 40 23.837 -0.599 22.240 301 HG2 PRO 40 1HG PRO 40 23.473 -2.988 24.031 302 HG3 PRO 40 2HG PRO 40 24.987 -2.169 23.533 303 HD2 PRO 40 1HD PRO 40 23.764 -1.656 25.910 304 HD3 PRO 40 2HD PRO 40 24.629 -0.377 24.988 305 H GLN 41 H GLN 41 19.810 -0.283 22.265 306 HA GLN 41 HA GLN 41 18.820 -3.033 22.308 307 HB2 GLN 41 1HB GLN 41 17.946 -2.111 24.507 308 HB3 GLN 41 2HB GLN 41 17.234 -0.759 23.605 309 HG2 GLN 41 1HG GLN 41 15.850 -2.418 22.314 310 HG3 GLN 41 2HG GLN 41 16.502 -3.708 23.329 311 HE21 GLN 41 1HE2 GLN 41 14.656 -1.418 25.995 312 HE22 GLN 41 2HE2 GLN 41 16.288 -1.200 25.405 313 H ARG 42 H ARG 42 17.461 -3.148 20.393 314 HA ARG 42 HA ARG 42 17.852 -1.019 18.543 315 HB2 ARG 42 1HB ARG 42 16.404 -2.150 17.039 316 HB3 ARG 42 2HB ARG 42 17.380 -3.373 17.849 317 HG2 ARG 42 1HG ARG 42 15.553 -4.228 19.010 318 HG3 ARG 42 2HG ARG 42 14.628 -2.719 18.874 319 HD2 ARG 42 1HD ARG 42 14.316 -3.025 16.512 320 HD3 ARG 42 2HD ARG 42 15.334 -4.479 16.521 321 HE ARG 42 HE ARG 42 13.301 -4.947 18.388 322 HH11 ARG 42 1HH1 ARG 42 13.395 -4.318 14.909 323 HH12 ARG 42 2HH1 ARG 42 11.982 -5.298 14.613 324 HH21 ARG 42 1HH2 ARG 42 11.482 -6.149 17.917 325 HH22 ARG 42 2HH2 ARG 42 10.918 -6.288 16.274 326 H GLY 43 H GLY 43 16.275 0.344 17.567 327 HA2 GLY 43 1HA GLY 43 13.943 0.955 19.299 328 HA3 GLY 43 2HA GLY 43 15.114 2.233 18.929 329 H ILE 44 H ILE 44 12.712 2.850 18.182 330 HA ILE 44 HA ILE 44 11.741 1.885 15.702 331 HB ILE 44 HB ILE 44 10.488 3.342 17.321 332 HG12 ILE 44 1HG1 ILE 44 9.607 4.989 15.545 333 HG13 ILE 44 2HG1 ILE 44 10.737 4.225 14.445 334 HG21 ILE 44 1HG2 ILE 44 12.153 5.640 16.222 335 HG22 ILE 44 2HG2 ILE 44 10.863 5.732 17.438 336 HG23 ILE 44 3HG2 ILE 44 12.388 4.913 17.819 337 HD11 ILE 44 1HD1 ILE 44 8.427 2.917 15.877 338 HD12 ILE 44 2HD1 ILE 44 8.606 3.212 14.137 339 HD13 ILE 44 3HD1 ILE 44 9.649 2.022 14.937 340 H VAL 45 H VAL 45 14.334 4.125 16.462 341 HA VAL 45 HA VAL 45 14.676 5.210 13.863 342 HB VAL 45 HB VAL 45 15.713 6.203 15.833 343 HG11 VAL 45 1HG1 VAL 45 16.239 4.199 17.114 344 HG12 VAL 45 2HG1 VAL 45 17.488 3.739 15.926 345 HG13 VAL 45 3HG1 VAL 45 17.684 5.205 16.912 346 HG21 VAL 45 1HG2 VAL 45 17.839 5.274 13.861 347 HG22 VAL 45 2HG2 VAL 45 16.706 6.618 13.598 348 HG23 VAL 45 3HG2 VAL 45 17.911 6.713 14.904 349 H GLU 46 H GLU 46 15.640 2.036 15.191 350 HA GLU 46 HA GLU 46 17.367 1.488 12.905 351 HB2 GLU 46 1HB GLU 46 16.165 -0.567 14.760 352 HB3 GLU 46 2HB GLU 46 17.620 -0.686 13.752 353 HG2 GLU 46 1HG GLU 46 18.463 1.318 15.193 354 HG3 GLU 46 2HG GLU 46 17.183 0.806 16.317 355 H GLU 47 H GLU 47 14.004 1.154 13.778 356 HA GLU 47 HA GLU 47 13.412 -0.726 11.635 357 HB2 GLU 47 1HB GLU 47 11.534 1.012 13.274 358 HB3 GLU 47 2HB GLU 47 11.101 -0.410 12.320 359 HG2 GLU 47 1HG GLU 47 12.844 -0.353 14.803 360 HG3 GLU 47 2HG GLU 47 11.183 -0.937 14.707 361 H CYS 48 H CYS 48 13.244 2.786 12.074 362 HA CYS 48 HA CYS 48 11.947 2.995 9.399 363 HB2 CYS 48 1HB CYS 48 12.040 4.976 11.678 364 HB3 CYS 48 2HB CYS 48 11.162 5.182 10.159 365 H CYS 49 H CYS 49 14.975 3.805 10.954 366 HA CYS 49 HA CYS 49 15.520 5.700 8.691 367 HB2 CYS 49 1HB CYS 49 15.795 6.530 11.083 368 HB3 CYS 49 2HB CYS 49 17.188 5.449 11.200 369 H PHE 50 H PHE 50 16.801 2.899 10.500 370 HA PHE 50 HA PHE 50 18.887 2.498 8.429 371 HB2 PHE 50 1HB PHE 50 18.215 0.998 10.979 372 HB3 PHE 50 2HB PHE 50 19.517 0.553 9.886 373 HD1 PHE 50 HD1 PHE 50 18.429 2.969 12.441 374 HD2 PHE 50 HD2 PHE 50 21.535 1.958 9.660 375 HE1 PHE 50 HE1 PHE 50 19.950 4.496 13.630 376 HE2 PHE 50 HE2 PHE 50 23.087 3.517 10.843 377 HZ PHE 50 HZ PHE 50 22.279 4.801 12.833 378 H ARG 51 H ARG 51 15.655 1.750 8.924 379 HA ARG 51 HA ARG 51 15.656 -0.215 6.710 380 HB2 ARG 51 1HB ARG 51 14.448 -0.646 9.471 381 HB3 ARG 51 2HB ARG 51 13.781 -1.440 8.055 382 HG2 ARG 51 1HG ARG 51 16.660 -1.762 8.927 383 HG3 ARG 51 2HG ARG 51 15.337 -2.838 9.420 384 HD2 ARG 51 1HD ARG 51 14.818 -3.248 7.019 385 HD3 ARG 51 2HD ARG 51 16.236 -2.277 6.570 386 HE ARG 51 HE ARG 51 17.119 -4.247 8.366 387 HH11 ARG 51 1HH1 ARG 51 15.722 -4.158 5.129 388 HH12 ARG 51 2HH1 ARG 51 16.509 -5.634 4.639 389 HH21 ARG 51 1HH2 ARG 51 18.110 -6.118 7.669 390 HH22 ARG 51 2HH2 ARG 51 17.844 -6.719 6.055 391 H SER 52 H SER 52 13.016 -0.498 6.395 392 HA SER 52 HA SER 52 11.872 2.266 6.499 393 HB2 SER 52 1HB SER 52 12.225 1.513 4.181 394 HB3 SER 52 2HB SER 52 11.420 -0.027 4.538 395 HG SER 52 HG SER 52 10.203 2.550 4.688 396 H CYS 53 H CYS 53 9.648 2.348 7.193 397 HA CYS 53 HA CYS 53 8.599 -0.159 8.420 398 HB2 CYS 53 1HB CYS 53 8.242 0.951 10.531 399 HB3 CYS 53 2HB CYS 53 9.950 1.076 10.107 400 H ASP 54 H ASP 54 6.392 -0.008 9.048 401 HA ASP 54 HA ASP 54 4.793 1.866 7.368 402 HB2 ASP 54 1HB ASP 54 4.257 -0.753 8.799 403 HB3 ASP 54 2HB ASP 54 2.922 0.300 8.308 404 H LEU 55 H LEU 55 2.890 2.873 8.395 405 HA LEU 55 HA LEU 55 3.403 4.137 10.902 406 HB2 LEU 55 1HB LEU 55 1.595 5.310 10.367 407 HB3 LEU 55 2HB LEU 55 1.556 4.356 8.883 408 HG LEU 55 HG LEU 55 -0.061 3.459 11.247 409 HD11 LEU 55 1HD1 LEU 55 -1.921 4.830 10.381 410 HD12 LEU 55 2HD1 LEU 55 -0.817 5.588 9.209 411 HD13 LEU 55 3HD1 LEU 55 -0.576 5.833 10.955 412 HD21 LEU 55 1HD2 LEU 55 -1.512 2.556 9.477 413 HD22 LEU 55 2HD2 LEU 55 0.142 1.979 9.223 414 HD23 LEU 55 3HD2 LEU 55 -0.494 3.298 8.223 415 H ALA 56 H ALA 56 1.999 1.099 10.025 416 HA ALA 56 HA ALA 56 0.610 0.584 12.473 417 HB1 ALA 56 1HB ALA 56 0.171 -0.426 10.239 418 HB2 ALA 56 2HB ALA 56 1.693 -1.339 10.382 419 HB3 ALA 56 3HB ALA 56 0.367 -1.640 11.539 420 H LEU 57 H LEU 57 3.847 -0.280 11.211 421 HA LEU 57 HA LEU 57 4.691 -1.807 13.506 422 HB2 LEU 57 1HB LEU 57 5.733 -1.845 11.235 423 HB3 LEU 57 2HB LEU 57 6.300 -0.205 11.470 424 HG LEU 57 HG LEU 57 7.211 -2.496 13.220 425 HD11 LEU 57 1HD1 LEU 57 8.467 -1.454 10.657 426 HD12 LEU 57 2HD1 LEU 57 7.673 -3.031 10.866 427 HD13 LEU 57 3HD1 LEU 57 9.173 -2.667 11.745 428 HD21 LEU 57 1HD2 LEU 57 8.401 0.236 12.644 429 HD22 LEU 57 2HD2 LEU 57 9.230 -1.072 13.514 430 HD23 LEU 57 3HD2 LEU 57 7.769 -0.358 14.196 431 H LEU 58 H LEU 58 4.994 1.591 12.460 432 HA LEU 58 HA LEU 58 6.579 2.501 14.558 433 HB2 LEU 58 1HB LEU 58 6.065 3.485 12.337 434 HB3 LEU 58 2HB LEU 58 4.465 3.911 12.914 435 HG LEU 58 HG LEU 58 6.759 4.935 14.448 436 HD11 LEU 58 1HD1 LEU 58 6.992 6.833 12.820 437 HD12 LEU 58 2HD1 LEU 58 6.001 5.903 11.673 438 HD13 LEU 58 3HD1 LEU 58 7.579 5.274 12.198 439 HD21 LEU 58 1HD2 LEU 58 4.094 6.012 13.487 440 HD22 LEU 58 2HD2 LEU 58 5.267 6.965 14.409 441 HD23 LEU 58 3HD2 LEU 58 4.534 5.527 15.138 442 H GLU 59 H GLU 59 3.048 2.225 14.366 443 HA GLU 59 HA GLU 59 2.433 3.690 16.723 444 HB2 GLU 59 1HB GLU 59 0.859 3.036 14.963 445 HB3 GLU 59 2HB GLU 59 1.005 1.349 15.411 446 HG2 GLU 59 1HG GLU 59 0.046 3.426 17.410 447 HG3 GLU 59 2HG GLU 59 -1.063 2.748 16.212 448 HE2 GLU 59 HE2 GLU 59 0.425 0.327 16.341 449 H THR 60 H THR 60 3.794 0.447 16.387 450 HA THR 60 HA THR 60 2.849 -0.536 18.908 451 HB THR 60 HB THR 60 4.475 -2.297 18.708 452 HG1 THR 60 HG1 THR 60 5.659 -0.870 16.541 453 HG21 THR 60 1HG2 THR 60 3.650 -1.526 15.883 454 HG22 THR 60 2HG2 THR 60 2.533 -2.226 17.074 455 HG23 THR 60 3HG2 THR 60 3.945 -3.156 16.518 456 H TYR 61 H TYR 61 5.324 1.765 18.140 457 HA TYR 61 HA TYR 61 6.769 1.358 20.663 458 HB2 TYR 61 1HB TYR 61 7.021 3.149 18.280 459 HB3 TYR 61 2HB TYR 61 7.731 3.686 19.803 460 HD1 TYR 61 HD1 TYR 61 9.646 2.593 20.782 461 HD2 TYR 61 HD2 TYR 61 7.858 1.059 17.185 462 HE1 TYR 61 HE1 TYR 61 11.625 1.120 20.459 463 HE2 TYR 61 HE2 TYR 61 9.822 -0.402 16.810 464 HH TYR 61 HH TYR 61 12.597 -0.504 19.110 465 H CYS 62 H CYS 62 3.777 2.730 20.014 466 HA CYS 62 HA CYS 62 4.011 5.186 21.470 467 HB2 CYS 62 1HB CYS 62 1.620 3.406 20.954 468 HB3 CYS 62 2HB CYS 62 1.546 5.035 21.651 469 H ALA 63 H ALA 63 3.232 5.753 23.528 470 HA ALA 63 HA ALA 63 4.146 3.873 25.534 471 HB1 ALA 63 1HB ALA 63 2.880 6.625 25.709 472 HB2 ALA 63 2HB ALA 63 3.588 5.736 27.087 473 HB3 ALA 63 3HB ALA 63 4.622 6.236 25.725 474 H THR 64 H THR 64 1.119 4.553 24.092 475 HA THR 64 HA THR 64 -0.200 2.630 25.802 476 HB THR 64 HB THR 64 -0.326 4.949 27.019 477 HG1 THR 64 HG1 THR 64 -1.616 3.238 27.633 478 HG21 THR 64 1HG2 THR 64 -2.557 5.348 25.022 479 HG22 THR 64 2HG2 THR 64 -0.995 6.206 24.947 480 HG23 THR 64 3HG2 THR 64 -2.074 6.434 26.342 481 HA PRO 65 HA PRO 65 -2.177 2.264 21.813 482 HB2 PRO 65 1HB PRO 65 -4.258 0.633 22.380 483 HB3 PRO 65 2HB PRO 65 -2.569 0.068 22.599 484 HG2 PRO 65 1HG PRO 65 -4.462 1.214 24.651 485 HG3 PRO 65 2HG PRO 65 -3.535 -0.320 24.714 486 HD2 PRO 65 1HD PRO 65 -2.627 1.980 25.878 487 HD3 PRO 65 2HD PRO 65 -1.515 0.780 25.133 488 H ALA 66 H ALA 66 -4.269 2.551 20.662 489 HA ALA 66 HA ALA 66 -5.666 4.950 21.517 490 HB1 ALA 66 1HB ALA 66 -5.212 4.396 19.125 491 HB2 ALA 66 2HB ALA 66 -6.281 2.977 19.270 492 HB3 ALA 66 3HB ALA 66 -6.951 4.616 19.442 493 H LYS 67 H LYS 67 -8.050 5.034 21.718 494 HA LYS 67 HA LYS 67 -9.263 2.492 22.725 495 HB2 LYS 67 1HB LYS 67 -8.681 3.995 24.626 496 HB3 LYS 67 2HB LYS 67 -9.650 5.279 23.892 497 HG2 LYS 67 1HG LYS 67 -11.671 3.874 24.104 498 HG3 LYS 67 2HG LYS 67 -10.699 2.595 24.861 499 HD2 LYS 67 1HD LYS 67 -10.076 4.189 26.672 500 HD3 LYS 67 2HD LYS 67 -11.127 5.412 25.937 501 HE2 LYS 67 1HE LYS 67 -12.056 2.685 26.944 502 HE3 LYS 67 2HE LYS 67 -12.193 4.201 27.854 503 HZ1 LYS 67 1HZ LYS 67 -13.587 5.037 25.988 504 HZ2 LYS 67 2HZ LYS 67 -14.259 3.749 26.774 505 HZ3 LYS 67 3HZ LYS 67 -13.552 3.530 25.307 506 H SER 68 H SER 68 -10.579 1.979 21.099 507 HA SER 68 HA SER 68 -12.397 4.105 20.025 508 HB2 SER 68 1HB SER 68 -10.677 3.232 18.402 509 HB3 SER 68 2HB SER 68 -11.419 1.625 18.565 510 HG SER 68 HG SER 68 -13.401 2.608 17.876 511 H GLU 69 H GLU 69 -12.698 2.309 22.370 512 HA GLU 69 HA GLU 69 -15.358 1.228 21.716 513 HB2 GLU 69 1HB GLU 69 -13.751 -0.698 21.405 514 HB3 GLU 69 2HB GLU 69 -13.151 -0.417 23.044 515 HG2 GLU 69 1HG GLU 69 -15.405 -0.907 23.941 516 HG3 GLU 69 2HG GLU 69 -15.978 -1.216 22.296 Start of MODEL 8 1 H1 ALA 1 1H ALA 1 10.994 15.296 -7.708 2 H2 ALA 1 2H ALA 1 11.865 15.677 -6.364 3 H3 ALA 1 3H ALA 1 12.558 15.796 -7.856 4 HA ALA 1 HA ALA 1 12.390 13.413 -8.180 5 HB1 ALA 1 1HB ALA 1 13.795 14.201 -5.570 6 HB2 ALA 1 2HB ALA 1 14.139 12.751 -6.543 7 HB3 ALA 1 3HB ALA 1 14.490 14.364 -7.204 8 H TYR 2 H TYR 2 12.097 11.274 -7.007 9 HA TYR 2 HA TYR 2 10.022 11.482 -4.879 10 HB2 TYR 2 1HB TYR 2 8.918 11.202 -7.058 11 HB3 TYR 2 2HB TYR 2 9.934 9.803 -7.414 12 HD1 TYR 2 HD1 TYR 2 7.319 11.056 -5.019 13 HD2 TYR 2 HD2 TYR 2 9.311 7.618 -6.683 14 HE1 TYR 2 HE1 TYR 2 5.689 9.550 -3.877 15 HE2 TYR 2 HE2 TYR 2 7.661 6.123 -5.547 16 HH TYR 2 HH TYR 2 5.812 6.005 -4.180 17 H ARG 3 H ARG 3 9.914 9.739 -3.478 18 HA ARG 3 HA ARG 3 11.706 7.407 -3.857 19 HB2 ARG 3 1HB ARG 3 11.646 9.229 -1.391 20 HB3 ARG 3 2HB ARG 3 12.280 7.582 -1.376 21 HG2 ARG 3 1HG ARG 3 14.016 8.229 -3.008 22 HG3 ARG 3 2HG ARG 3 13.413 9.901 -2.966 23 HD2 ARG 3 1HD ARG 3 13.861 10.022 -0.551 24 HD3 ARG 3 2HD ARG 3 14.403 8.334 -0.554 25 HE ARG 3 HE ARG 3 15.955 9.758 -2.445 26 HH11 ARG 3 1HH1 ARG 3 15.542 9.633 1.063 27 HH12 ARG 3 2HH1 ARG 3 17.186 10.120 1.366 28 HH21 ARG 3 1HH2 ARG 3 18.043 10.389 -1.974 29 HH22 ARG 3 2HH2 ARG 3 18.567 10.556 -0.320 30 HA PRO 4 HA PRO 4 7.770 5.956 -2.336 31 HB2 PRO 4 1HB PRO 4 8.348 3.672 -0.953 32 HB3 PRO 4 2HB PRO 4 8.462 3.767 -2.739 33 HG2 PRO 4 1HG PRO 4 10.658 4.074 -0.698 34 HG3 PRO 4 2HG PRO 4 10.606 3.013 -2.142 35 HD2 PRO 4 1HD PRO 4 11.848 5.410 -2.217 36 HD3 PRO 4 2HD PRO 4 10.894 4.821 -3.623 37 H SER 5 H SER 5 10.438 6.560 -0.207 38 HA SER 5 HA SER 5 10.613 7.474 1.855 39 HB2 SER 5 1HB SER 5 9.061 9.077 0.537 40 HB3 SER 5 2HB SER 5 7.786 8.487 1.624 41 HG SER 5 HG SER 5 8.947 9.226 3.364 42 H GLU 6 H GLU 6 9.788 4.754 1.993 43 HA GLU 6 HA GLU 6 7.875 4.555 4.213 44 HB2 GLU 6 1HB GLU 6 9.895 2.508 3.230 45 HB3 GLU 6 2HB GLU 6 8.481 2.193 4.234 46 HG2 GLU 6 1HG GLU 6 8.484 3.090 1.342 47 HG3 GLU 6 2HG GLU 6 8.149 1.457 1.933 48 H THR 7 H THR 7 10.332 6.271 4.379 49 HA THR 7 HA THR 7 11.608 5.059 6.783 50 HB THR 7 HB THR 7 13.774 6.123 5.962 51 HG1 THR 7 HG1 THR 7 12.614 7.404 4.346 52 HG21 THR 7 1HG2 THR 7 14.363 4.311 4.461 53 HG22 THR 7 2HG2 THR 7 12.645 3.940 4.186 54 HG23 THR 7 3HG2 THR 7 13.363 3.705 5.797 55 H LEU 8 H LEU 8 12.187 6.460 8.346 56 HA LEU 8 HA LEU 8 11.799 9.396 7.864 57 HB2 LEU 8 1HB LEU 8 10.851 7.833 10.253 58 HB3 LEU 8 2HB LEU 8 10.774 9.577 10.090 59 HG LEU 8 HG LEU 8 9.298 7.617 8.412 60 HD11 LEU 8 1HD1 LEU 8 8.320 9.235 10.693 61 HD12 LEU 8 2HD1 LEU 8 8.528 7.470 10.638 62 HD13 LEU 8 3HD1 LEU 8 7.322 8.253 9.607 63 HD21 LEU 8 1HD2 LEU 8 9.770 9.920 7.405 64 HD22 LEU 8 2HD2 LEU 8 8.850 10.608 8.767 65 HD23 LEU 8 3HD2 LEU 8 8.042 9.549 7.589 66 H CYS 9 H CYS 9 13.016 10.677 9.266 67 HA CYS 9 HA CYS 9 14.640 9.325 11.309 68 HB2 CYS 9 1HB CYS 9 15.726 9.404 8.805 69 HB3 CYS 9 2HB CYS 9 16.345 10.913 9.486 70 H GLY 10 H GLY 10 15.762 10.778 12.730 71 HA2 GLY 10 1HA GLY 10 15.916 12.740 13.947 72 HA3 GLY 10 2HA GLY 10 15.724 13.598 12.407 73 H GLY 11 H GLY 11 14.307 15.171 12.895 74 HA2 GLY 11 1HA GLY 11 12.117 14.886 14.673 75 HA3 GLY 11 2HA GLY 11 12.326 16.164 13.472 76 H GLU 12 H GLU 12 12.374 13.918 11.292 77 HA GLU 12 HA GLU 12 9.571 14.108 10.650 78 HB2 GLU 12 1HB GLU 12 11.645 12.112 9.674 79 HB3 GLU 12 2HB GLU 12 10.098 12.441 8.902 80 HG2 GLU 12 1HG GLU 12 10.801 14.659 8.291 81 HG3 GLU 12 2HG GLU 12 12.298 14.492 9.223 82 H LEU 13 H LEU 13 11.603 11.676 12.233 83 HA LEU 13 HA LEU 13 9.562 9.634 12.204 84 HB2 LEU 13 1HB LEU 13 12.023 9.237 12.314 85 HB3 LEU 13 2HB LEU 13 12.038 9.891 13.944 86 HG LEU 13 HG LEU 13 10.872 8.022 14.820 87 HD11 LEU 13 1HD1 LEU 13 9.137 7.634 13.167 88 HD12 LEU 13 2HD1 LEU 13 10.043 6.137 13.400 89 HD13 LEU 13 3HD1 LEU 13 10.320 7.120 11.948 90 HD21 LEU 13 1HD2 LEU 13 12.864 7.110 12.706 91 HD22 LEU 13 2HD2 LEU 13 12.342 6.153 14.109 92 HD23 LEU 13 3HD2 LEU 13 13.239 7.662 14.361 93 H VAL 14 H VAL 14 10.725 12.073 14.494 94 HA VAL 14 HA VAL 14 9.076 11.330 16.708 95 HB VAL 14 HB VAL 14 10.252 14.024 15.869 96 HG11 VAL 14 1HG1 VAL 14 8.411 14.489 17.386 97 HG12 VAL 14 2HG1 VAL 14 8.956 13.224 18.501 98 HG13 VAL 14 3HG1 VAL 14 9.935 14.686 18.270 99 HG21 VAL 14 1HG2 VAL 14 11.960 13.511 17.581 100 HG22 VAL 14 2HG2 VAL 14 11.175 11.945 17.892 101 HG23 VAL 14 3HG2 VAL 14 11.925 12.273 16.310 102 H ASP 15 H ASP 15 8.567 13.591 13.971 103 HA ASP 15 HA ASP 15 6.072 14.626 14.806 104 HB2 ASP 15 1HB ASP 15 7.512 15.435 12.910 105 HB3 ASP 15 2HB ASP 15 6.982 14.034 11.967 106 H THR 16 H THR 16 6.821 11.778 12.751 107 HA THR 16 HA THR 16 4.062 11.069 12.386 108 HB THR 16 HB THR 16 6.519 9.287 12.276 109 HG1 THR 16 HG1 THR 16 6.621 11.153 10.910 110 HG21 THR 16 1HG2 THR 16 3.750 9.064 11.042 111 HG22 THR 16 2HG2 THR 16 4.469 7.989 12.267 112 HG23 THR 16 3HG2 THR 16 5.140 8.037 10.626 113 H LEU 17 H LEU 17 6.478 10.135 14.869 114 HA LEU 17 HA LEU 17 4.826 8.141 16.108 115 HB2 LEU 17 1HB LEU 17 7.138 9.835 17.009 116 HB3 LEU 17 2HB LEU 17 6.262 8.836 18.168 117 HG LEU 17 HG LEU 17 7.235 7.574 15.628 118 HD11 LEU 17 1HD1 LEU 17 9.156 8.807 16.479 119 HD12 LEU 17 2HD1 LEU 17 9.366 7.056 16.608 120 HD13 LEU 17 3HD1 LEU 17 8.970 8.009 18.058 121 HD21 LEU 17 1HD2 LEU 17 5.778 6.331 17.261 122 HD22 LEU 17 2HD2 LEU 17 7.053 6.518 18.483 123 HD23 LEU 17 3HD2 LEU 17 7.359 5.574 17.007 124 H GLN 18 H GLN 18 5.010 11.693 16.522 125 HA GLN 18 HA GLN 18 3.101 11.748 18.706 126 HB2 GLN 18 1HB GLN 18 3.856 13.825 16.623 127 HB3 GLN 18 2HB GLN 18 2.769 14.136 17.979 128 HG2 GLN 18 1HG GLN 18 4.577 13.619 19.564 129 HG3 GLN 18 2HG GLN 18 5.673 13.310 18.219 130 HE21 GLN 18 1HE2 GLN 18 5.590 16.858 17.230 131 HE22 GLN 18 2HE2 GLN 18 5.228 15.327 16.476 132 H PHE 19 H PHE 19 2.839 11.715 15.144 133 HA PHE 19 HA PHE 19 0.053 12.368 15.093 134 HB2 PHE 19 1HB PHE 19 1.653 12.499 13.172 135 HB3 PHE 19 2HB PHE 19 1.623 10.736 13.072 136 HD1 PHE 19 HD1 PHE 19 -0.291 9.556 12.149 137 HD2 PHE 19 HD2 PHE 19 -0.342 13.836 12.600 138 HE1 PHE 19 HE1 PHE 19 -2.324 9.677 10.715 139 HE2 PHE 19 HE2 PHE 19 -2.377 13.968 11.170 140 HZ PHE 19 HZ PHE 19 -3.380 11.885 10.230 141 H VAL 20 H VAL 20 1.711 9.137 15.039 142 HA VAL 20 HA VAL 20 -0.851 7.788 14.828 143 HB VAL 20 HB VAL 20 0.327 5.705 15.012 144 HG11 VAL 20 1HG1 VAL 20 0.486 6.988 12.898 145 HG12 VAL 20 2HG1 VAL 20 2.042 7.642 13.452 146 HG13 VAL 20 3HG1 VAL 20 1.861 5.894 13.172 147 HG21 VAL 20 1HG2 VAL 20 1.804 6.184 16.840 148 HG22 VAL 20 2HG2 VAL 20 2.705 5.583 15.460 149 HG23 VAL 20 3HG2 VAL 20 2.734 7.320 15.838 150 H CYS 21 H CYS 21 1.116 8.846 17.521 151 HA CYS 21 HA CYS 21 -0.415 7.101 19.406 152 HB2 CYS 21 1HB CYS 21 2.008 8.854 19.922 153 HB3 CYS 21 2HB CYS 21 1.289 7.703 21.048 154 H GLY 22 H GLY 22 -0.381 10.334 18.282 155 HA2 GLY 22 1HA GLY 22 -1.580 12.172 19.027 156 HA3 GLY 22 2HA GLY 22 -2.214 11.203 20.377 157 H ASP 23 H ASP 23 -1.760 13.304 21.496 158 HA ASP 23 HA ASP 23 0.998 14.015 22.053 159 HB2 ASP 23 1HB ASP 23 0.072 15.655 23.538 160 HB3 ASP 23 2HB ASP 23 -0.937 15.621 22.084 161 H ARG 24 H ARG 24 -0.684 11.357 22.921 162 HA ARG 24 HA ARG 24 -0.260 11.262 25.780 163 HB2 ARG 24 1HB ARG 24 -0.753 9.042 23.765 164 HB3 ARG 24 2HB ARG 24 -0.872 8.873 25.518 165 HG2 ARG 24 1HG ARG 24 -2.636 10.695 23.811 166 HG3 ARG 24 2HG ARG 24 -3.083 9.093 24.409 167 HD2 ARG 24 1HD ARG 24 -4.011 10.270 26.105 168 HD3 ARG 24 2HD ARG 24 -2.364 10.225 26.755 169 HE ARG 24 HE ARG 24 -2.729 12.530 25.038 170 HH11 ARG 24 1HH1 ARG 24 -3.548 11.366 28.280 171 HH12 ARG 24 2HH1 ARG 24 -3.683 12.982 28.919 172 HH21 ARG 24 1HH2 ARG 24 -2.893 14.550 25.932 173 HH22 ARG 24 2HH2 ARG 24 -3.315 14.743 27.619 174 H GLY 25 H GLY 25 1.863 10.844 23.130 175 HA2 GLY 25 1HA GLY 25 4.184 10.753 23.458 176 HA3 GLY 25 2HA GLY 25 3.945 10.084 25.069 177 H PHE 26 H PHE 26 5.925 9.061 23.730 178 HA PHE 26 HA PHE 26 5.115 6.319 23.047 179 HB2 PHE 26 1HB PHE 26 6.312 6.470 20.845 180 HB3 PHE 26 2HB PHE 26 4.816 7.404 20.910 181 HD1 PHE 26 HD1 PHE 26 4.791 9.805 20.776 182 HD2 PHE 26 HD2 PHE 26 8.515 7.652 20.876 183 HE1 PHE 26 HE1 PHE 26 6.004 11.874 20.126 184 HE2 PHE 26 HE2 PHE 26 9.733 9.722 20.225 185 HZ PHE 26 HZ PHE 26 8.479 11.835 19.860 186 H TYR 27 H TYR 27 7.086 5.029 22.476 187 HA TYR 27 HA TYR 27 9.448 5.913 24.106 188 HB2 TYR 27 1HB TYR 27 8.573 3.183 23.064 189 HB3 TYR 27 2HB TYR 27 10.044 3.498 23.982 190 HD1 TYR 27 HD1 TYR 27 9.949 4.016 26.410 191 HD2 TYR 27 HD2 TYR 27 6.376 3.057 24.189 192 HE1 TYR 27 HE1 TYR 27 8.725 3.569 28.541 193 HE2 TYR 27 HE2 TYR 27 5.193 2.582 26.323 194 HH TYR 27 HH TYR 27 5.301 2.575 28.597 195 H PHE 28 H PHE 28 11.610 5.391 23.065 196 HA PHE 28 HA PHE 28 11.376 5.411 20.079 197 HB2 PHE 28 1HB PHE 28 12.889 7.030 21.815 198 HB3 PHE 28 2HB PHE 28 14.047 5.904 21.114 199 HD1 PHE 28 HD1 PHE 28 11.141 8.050 20.031 200 HD2 PHE 28 HD2 PHE 28 15.056 6.532 19.094 201 HE1 PHE 28 HE1 PHE 28 11.171 9.427 17.954 202 HE2 PHE 28 HE2 PHE 28 15.101 7.921 17.027 203 HZ PHE 28 HZ PHE 28 13.150 9.360 16.444 204 H ASN 29 H ASN 29 12.775 3.847 22.916 205 HA ASN 29 HA ASN 29 13.320 1.444 21.284 206 HB2 ASN 29 1HB ASN 29 15.568 1.534 22.854 207 HB3 ASN 29 2HB ASN 29 15.522 2.038 21.170 208 HD21 ASN 29 1HD2 ASN 29 16.647 5.187 22.002 209 HD22 ASN 29 2HD2 ASN 29 16.619 3.828 20.901 210 H ARG 30 H ARG 30 11.486 2.414 23.418 211 HA ARG 30 HA ARG 30 10.551 1.629 25.384 212 HB2 ARG 30 1HB ARG 30 11.468 -1.038 24.305 213 HB3 ARG 30 2HB ARG 30 10.020 -0.648 25.220 214 HG2 ARG 30 1HG ARG 30 9.425 0.881 23.251 215 HG3 ARG 30 2HG ARG 30 10.677 -0.027 22.379 216 HD2 ARG 30 1HD ARG 30 8.263 -1.208 23.759 217 HD3 ARG 30 2HD ARG 30 8.417 -0.928 22.011 218 HE ARG 30 HE ARG 30 10.628 -2.487 22.907 219 HH11 ARG 30 1HH1 ARG 30 7.160 -2.848 22.342 220 HH12 ARG 30 2HH1 ARG 30 7.293 -4.562 22.055 221 HH21 ARG 30 1HH2 ARG 30 10.720 -4.671 22.540 222 HH22 ARG 30 2HH2 ARG 30 9.277 -5.573 22.162 223 HA PRO 31 HA PRO 31 14.683 0.305 26.968 224 HB2 PRO 31 1HB PRO 31 15.763 2.467 28.261 225 HB3 PRO 31 2HB PRO 31 15.793 2.272 26.496 226 HG2 PRO 31 1HG PRO 31 13.867 3.883 28.121 227 HG3 PRO 31 2HG PRO 31 14.822 4.379 26.688 228 HD2 PRO 31 1HD PRO 31 12.230 3.537 26.478 229 HD3 PRO 31 2HD PRO 31 13.450 3.185 25.214 230 H ALA 32 H ALA 32 12.508 2.336 28.704 231 HA ALA 32 HA ALA 32 11.725 2.473 30.837 232 HB1 ALA 32 1HB ALA 32 12.295 -0.518 30.935 233 HB2 ALA 32 2HB ALA 32 11.162 0.375 31.977 234 HB3 ALA 32 3HB ALA 32 10.836 0.222 30.234 235 H SER 33 H SER 33 14.617 2.759 30.383 236 HA SER 33 HA SER 33 15.410 2.964 33.207 237 HB2 SER 33 1HB SER 33 16.880 1.216 31.192 238 HB3 SER 33 2HB SER 33 17.612 1.818 32.689 239 HG SER 33 HG SER 33 15.163 0.419 32.744 240 H ARG 34 H ARG 34 16.928 4.617 33.468 241 HA ARG 34 HA ARG 34 17.345 6.262 31.055 242 HB2 ARG 34 1HB ARG 34 17.891 8.062 32.541 243 HB3 ARG 34 2HB ARG 34 16.430 7.275 33.136 244 HG2 ARG 34 1HG ARG 34 17.708 6.146 34.902 245 HG3 ARG 34 2HG ARG 34 19.223 6.802 34.251 246 HD2 ARG 34 1HD ARG 34 18.283 9.116 34.603 247 HD3 ARG 34 2HD ARG 34 16.932 8.378 35.478 248 HE ARG 34 HE ARG 34 19.743 8.619 36.348 249 HH11 ARG 34 1HH1 ARG 34 16.567 7.249 37.091 250 HH12 ARG 34 2HH1 ARG 34 16.981 6.974 38.761 251 HH21 ARG 34 1HH2 ARG 34 20.188 8.234 38.485 252 HH22 ARG 34 2HH2 ARG 34 18.993 7.520 39.532 253 H VAL 35 H VAL 35 18.927 3.771 31.871 254 HA VAL 35 HA VAL 35 21.644 5.010 31.753 255 HB VAL 35 HB VAL 35 22.495 2.937 32.785 256 HG11 VAL 35 1HG1 VAL 35 21.863 4.899 34.163 257 HG12 VAL 35 2HG1 VAL 35 20.236 4.211 34.369 258 HG13 VAL 35 3HG1 VAL 35 21.650 3.368 35.040 259 HG21 VAL 35 1HG2 VAL 35 19.579 2.146 33.211 260 HG22 VAL 35 2HG2 VAL 35 20.645 1.399 32.001 261 HG23 VAL 35 3HG2 VAL 35 21.014 1.251 33.728 262 H SER 36 H SER 36 19.420 3.199 30.035 263 HA SER 36 HA SER 36 19.595 1.652 28.277 264 HB2 SER 36 1HB SER 36 21.144 4.074 27.324 265 HB3 SER 36 2HB SER 36 20.244 2.921 26.309 266 HG SER 36 HG SER 36 19.031 4.824 26.835 267 H ARG 37 H ARG 37 21.289 0.250 29.601 268 HA ARG 37 HA ARG 37 24.032 0.440 28.668 269 HB2 ARG 37 1HB ARG 37 22.611 -1.592 30.416 270 HB3 ARG 37 2HB ARG 37 24.350 -1.604 30.084 271 HG2 ARG 37 1HG ARG 37 24.582 0.629 31.074 272 HG3 ARG 37 2HG ARG 37 22.845 0.667 31.417 273 HD2 ARG 37 1HD ARG 37 23.068 -1.287 32.882 274 HD3 ARG 37 2HD ARG 37 24.806 -1.371 32.520 275 HE ARG 37 HE ARG 37 24.271 1.234 33.454 276 HH11 ARG 37 1HH1 ARG 37 24.236 -2.046 34.764 277 HH12 ARG 37 2HH1 ARG 37 24.586 -1.502 36.383 278 HH21 ARG 37 1HH2 ARG 37 24.717 1.851 35.545 279 HH22 ARG 37 2HH2 ARG 37 24.854 0.664 36.813 280 H ARG 38 H ARG 38 22.676 0.165 26.418 281 HA ARG 38 HA ARG 38 22.454 -1.081 24.487 282 HB2 ARG 38 1HB ARG 38 25.221 -1.609 25.533 283 HB3 ARG 38 2HB ARG 38 24.716 -2.196 23.938 284 HG2 ARG 38 1HG ARG 38 24.252 0.661 24.705 285 HG3 ARG 38 2HG ARG 38 25.848 0.123 24.112 286 HD2 ARG 38 1HD ARG 38 24.752 -0.824 22.087 287 HD3 ARG 38 2HD ARG 38 23.188 -0.227 22.671 288 HE ARG 38 HE ARG 38 25.113 1.904 22.510 289 HH11 ARG 38 1HH1 ARG 38 22.978 -0.049 20.481 290 HH12 ARG 38 2HH1 ARG 38 22.875 1.178 19.248 291 HH21 ARG 38 1HH2 ARG 38 24.942 3.419 20.883 292 HH22 ARG 38 2HH2 ARG 38 23.970 3.101 19.472 293 H SER 39 H SER 39 20.903 -2.402 26.043 294 HA SER 39 HA SER 39 21.365 -5.244 26.056 295 HB2 SER 39 1HB SER 39 18.749 -3.716 25.699 296 HB3 SER 39 2HB SER 39 18.919 -5.407 26.220 297 HG SER 39 HG SER 39 19.923 -4.682 28.101 298 HA PRO 40 HA PRO 40 21.431 -5.524 21.663 299 HB2 PRO 40 1HB PRO 40 21.252 -8.190 21.237 300 HB3 PRO 40 2HB PRO 40 22.618 -7.469 22.137 301 HG2 PRO 40 1HG PRO 40 20.097 -8.706 23.228 302 HG3 PRO 40 2HG PRO 40 21.802 -9.088 23.634 303 HD2 PRO 40 1HD PRO 40 20.309 -7.381 25.139 304 HD3 PRO 40 2HD PRO 40 22.070 -7.125 24.882 305 H GLN 41 H GLN 41 19.048 -4.421 22.069 306 HA GLN 41 HA GLN 41 17.240 -5.930 20.252 307 HB2 GLN 41 1HB GLN 41 16.597 -4.407 22.800 308 HB3 GLN 41 2HB GLN 41 15.416 -4.755 21.553 309 HG2 GLN 41 1HG GLN 41 15.992 -7.210 21.810 310 HG3 GLN 41 2HG GLN 41 16.918 -6.752 23.246 311 HE21 GLN 41 1HE2 GLN 41 13.095 -7.537 23.660 312 HE22 GLN 41 2HE2 GLN 41 14.150 -8.117 22.394 313 H ARG 42 H ARG 42 15.853 -4.449 19.023 314 HA ARG 42 HA ARG 42 17.297 -1.914 18.407 315 HB2 ARG 42 1HB ARG 42 15.144 -3.477 16.929 316 HB3 ARG 42 2HB ARG 42 15.815 -1.943 16.385 317 HG2 ARG 42 1HG ARG 42 18.039 -2.978 16.168 318 HG3 ARG 42 2HG ARG 42 17.341 -4.541 16.678 319 HD2 ARG 42 1HD ARG 42 15.690 -4.355 14.840 320 HD3 ARG 42 2HD ARG 42 16.480 -2.868 14.298 321 HE ARG 42 HE ARG 42 18.446 -4.880 14.369 322 HH11 ARG 42 1HH1 ARG 42 15.450 -4.203 12.600 323 HH12 ARG 42 2HH1 ARG 42 15.987 -5.094 11.192 324 HH21 ARG 42 1HH2 ARG 42 19.058 -5.978 12.529 325 HH22 ARG 42 2HH2 ARG 42 17.987 -6.077 11.160 326 H GLY 43 H GLY 43 16.193 -0.004 18.071 327 HA2 GLY 43 1HA GLY 43 13.465 0.185 19.270 328 HA3 GLY 43 2HA GLY 43 14.658 1.498 19.221 329 H ILE 44 H ILE 44 12.786 2.608 18.234 330 HA ILE 44 HA ILE 44 11.755 1.811 15.706 331 HB ILE 44 HB ILE 44 10.640 3.300 17.420 332 HG12 ILE 44 1HG1 ILE 44 9.906 5.072 15.679 333 HG13 ILE 44 2HG1 ILE 44 10.865 4.175 14.540 334 HG21 ILE 44 1HG2 ILE 44 12.344 5.557 16.284 335 HG22 ILE 44 2HG2 ILE 44 11.159 5.637 17.605 336 HG23 ILE 44 3HG2 ILE 44 12.686 4.767 17.830 337 HD11 ILE 44 1HD1 ILE 44 8.638 3.411 14.326 338 HD12 ILE 44 2HD1 ILE 44 9.542 2.119 15.139 339 HD13 ILE 44 3HD1 ILE 44 8.470 3.190 16.080 340 H VAL 45 H VAL 45 14.610 3.863 16.419 341 HA VAL 45 HA VAL 45 14.450 5.094 13.789 342 HB VAL 45 HB VAL 45 15.412 6.441 15.514 343 HG11 VAL 45 1HG1 VAL 45 16.225 4.772 17.049 344 HG12 VAL 45 2HG1 VAL 45 17.496 4.288 15.901 345 HG13 VAL 45 3HG1 VAL 45 17.528 5.902 16.646 346 HG21 VAL 45 1HG2 VAL 45 17.637 5.570 13.647 347 HG22 VAL 45 2HG2 VAL 45 16.340 6.727 13.262 348 HG23 VAL 45 3HG2 VAL 45 17.530 7.115 14.521 349 H GLU 46 H GLU 46 15.855 2.308 15.262 350 HA GLU 46 HA GLU 46 17.575 1.615 13.058 351 HB2 GLU 46 1HB GLU 46 16.340 -0.091 15.226 352 HB3 GLU 46 2HB GLU 46 17.745 -0.497 14.223 353 HG2 GLU 46 1HG GLU 46 18.918 0.382 15.893 354 HG3 GLU 46 2HG GLU 46 18.505 1.936 15.235 355 H GLU 47 H GLU 47 14.192 1.058 13.850 356 HA GLU 47 HA GLU 47 13.853 -0.819 11.607 357 HB2 GLU 47 1HB GLU 47 11.891 0.482 13.529 358 HB3 GLU 47 2HB GLU 47 11.415 -0.617 12.226 359 HG2 GLU 47 1HG GLU 47 13.266 -1.297 14.536 360 HG3 GLU 47 2HG GLU 47 11.577 -1.798 14.370 361 H CYS 48 H CYS 48 13.202 2.639 12.200 362 HA CYS 48 HA CYS 48 11.859 2.784 9.551 363 HB2 CYS 48 1HB CYS 48 11.949 4.685 11.901 364 HB3 CYS 48 2HB CYS 48 11.166 5.052 10.361 365 H CYS 49 H CYS 49 14.944 3.704 10.877 366 HA CYS 49 HA CYS 49 15.263 5.598 8.564 367 HB2 CYS 49 1HB CYS 49 15.540 6.597 10.849 368 HB3 CYS 49 2HB CYS 49 16.918 5.526 11.104 369 H PHE 50 H PHE 50 16.918 3.068 10.508 370 HA PHE 50 HA PHE 50 18.982 2.755 8.438 371 HB2 PHE 50 1HB PHE 50 18.306 1.127 10.910 372 HB3 PHE 50 2HB PHE 50 19.648 0.769 9.827 373 HD1 PHE 50 HD1 PHE 50 18.340 3.234 12.279 374 HD2 PHE 50 HD2 PHE 50 21.698 2.046 9.890 375 HE1 PHE 50 HE1 PHE 50 19.769 4.768 13.581 376 HE2 PHE 50 HE2 PHE 50 23.155 3.617 11.174 377 HZ PHE 50 HZ PHE 50 22.178 4.981 13.031 378 H ARG 51 H ARG 51 15.784 1.671 8.990 379 HA ARG 51 HA ARG 51 15.927 -0.033 6.588 380 HB2 ARG 51 1HB ARG 51 14.895 -0.924 9.306 381 HB3 ARG 51 2HB ARG 51 14.252 -1.610 7.806 382 HG2 ARG 51 1HG ARG 51 17.192 -1.683 8.557 383 HG3 ARG 51 2HG ARG 51 16.042 -2.995 8.882 384 HD2 ARG 51 1HD ARG 51 15.558 -3.216 6.490 385 HD3 ARG 51 2HD ARG 51 16.618 -1.843 6.121 386 HE ARG 51 HE ARG 51 18.139 -3.776 7.511 387 HH11 ARG 51 1HH1 ARG 51 16.603 -3.354 4.364 388 HH12 ARG 51 2HH1 ARG 51 17.747 -4.390 3.555 389 HH21 ARG 51 1HH2 ARG 51 19.573 -5.087 6.409 390 HH22 ARG 51 2HH2 ARG 51 19.396 -5.355 4.697 391 H SER 52 H SER 52 13.423 -0.692 6.246 392 HA SER 52 HA SER 52 11.980 1.890 6.218 393 HB2 SER 52 1HB SER 52 10.629 0.669 4.508 394 HB3 SER 52 2HB SER 52 12.355 0.759 4.091 395 HG SER 52 HG SER 52 11.164 -1.441 5.433 396 H CYS 53 H CYS 53 9.854 2.038 6.991 397 HA CYS 53 HA CYS 53 8.692 -0.354 8.327 398 HB2 CYS 53 1HB CYS 53 8.358 0.778 10.391 399 HB3 CYS 53 2HB CYS 53 10.065 0.948 9.985 400 H ASP 54 H ASP 54 6.482 0.686 9.412 401 HA ASP 54 HA ASP 54 5.137 2.423 7.400 402 HB2 ASP 54 1HB ASP 54 4.585 0.122 6.746 403 HB3 ASP 54 2HB ASP 54 4.206 -0.288 8.429 404 H LEU 55 H LEU 55 3.017 3.218 8.392 405 HA LEU 55 HA LEU 55 3.467 4.354 10.957 406 HB2 LEU 55 1HB LEU 55 1.657 5.532 10.449 407 HB3 LEU 55 2HB LEU 55 1.652 4.632 8.929 408 HG LEU 55 HG LEU 55 -0.005 3.637 11.219 409 HD11 LEU 55 1HD1 LEU 55 -0.519 6.026 11.004 410 HD12 LEU 55 2HD1 LEU 55 -1.852 5.038 10.378 411 HD13 LEU 55 3HD1 LEU 55 -0.733 5.839 9.248 412 HD21 LEU 55 1HD2 LEU 55 0.256 2.250 9.134 413 HD22 LEU 55 2HD2 LEU 55 -0.375 3.603 8.183 414 HD23 LEU 55 3HD2 LEU 55 -1.409 2.798 9.386 415 H ALA 56 H ALA 56 1.959 1.316 10.015 416 HA ALA 56 HA ALA 56 0.649 0.880 12.533 417 HB1 ALA 56 1HB ALA 56 0.090 -0.091 10.317 418 HB2 ALA 56 2HB ALA 56 1.551 -1.096 10.425 419 HB3 ALA 56 3HB ALA 56 0.240 -1.312 11.621 420 H LEU 57 H LEU 57 3.795 -0.119 11.168 421 HA LEU 57 HA LEU 57 4.624 -1.726 13.419 422 HB2 LEU 57 1HB LEU 57 5.621 -1.752 11.124 423 HB3 LEU 57 2HB LEU 57 6.284 -0.152 11.402 424 HG LEU 57 HG LEU 57 7.059 -2.515 13.121 425 HD11 LEU 57 1HD1 LEU 57 8.978 -2.841 11.602 426 HD12 LEU 57 2HD1 LEU 57 8.325 -1.602 10.511 427 HD13 LEU 57 3HD1 LEU 57 7.432 -3.117 10.773 428 HD21 LEU 57 1HD2 LEU 57 7.826 -0.427 14.074 429 HD22 LEU 57 2HD2 LEU 57 8.415 0.143 12.499 430 HD23 LEU 57 3HD2 LEU 57 9.219 -1.213 13.320 431 H LEU 58 H LEU 58 4.978 1.668 12.445 432 HA LEU 58 HA LEU 58 6.638 2.522 14.522 433 HB2 LEU 58 1HB LEU 58 6.089 3.526 12.312 434 HB3 LEU 58 2HB LEU 58 4.527 4.002 12.946 435 HG LEU 58 HG LEU 58 6.919 4.933 14.387 436 HD11 LEU 58 1HD1 LEU 58 7.111 6.842 12.754 437 HD12 LEU 58 2HD1 LEU 58 6.054 5.927 11.654 438 HD13 LEU 58 3HD1 LEU 58 7.643 5.273 12.112 439 HD21 LEU 58 1HD2 LEU 58 5.487 7.020 14.380 440 HD22 LEU 58 2HD2 LEU 58 4.828 5.615 15.229 441 HD23 LEU 58 3HD2 LEU 58 4.224 6.043 13.613 442 H GLU 59 H GLU 59 3.110 2.319 14.339 443 HA GLU 59 HA GLU 59 2.514 3.743 16.725 444 HB2 GLU 59 1HB GLU 59 0.941 3.191 14.912 445 HB3 GLU 59 2HB GLU 59 1.000 1.483 15.368 446 HG2 GLU 59 1HG GLU 59 -0.031 1.964 17.500 447 HG3 GLU 59 2HG GLU 59 0.054 3.692 17.195 448 HE2 GLU 59 HE2 GLU 59 -0.965 4.313 15.281 449 H THR 60 H THR 60 3.810 0.503 16.363 450 HA THR 60 HA THR 60 2.769 -0.547 18.813 451 HB THR 60 HB THR 60 4.450 -2.272 18.649 452 HG1 THR 60 HG1 THR 60 5.647 -0.818 16.510 453 HG21 THR 60 1HG2 THR 60 3.651 -1.462 15.824 454 HG22 THR 60 2HG2 THR 60 2.530 -2.200 16.986 455 HG23 THR 60 3HG2 THR 60 3.965 -3.100 16.432 456 H TYR 61 H TYR 61 5.134 1.868 18.253 457 HA TYR 61 HA TYR 61 6.489 1.430 20.834 458 HB2 TYR 61 1HB TYR 61 6.836 3.334 18.521 459 HB3 TYR 61 2HB TYR 61 7.627 3.625 20.068 460 HD1 TYR 61 HD1 TYR 61 7.399 1.184 17.239 461 HD2 TYR 61 HD2 TYR 61 9.538 2.388 20.778 462 HE1 TYR 61 HE1 TYR 61 9.246 -0.392 16.664 463 HE2 TYR 61 HE2 TYR 61 11.369 0.790 20.213 464 HH TYR 61 HH TYR 61 11.272 -1.228 17.256 465 H CYS 62 H CYS 62 3.500 2.739 20.136 466 HA CYS 62 HA CYS 62 3.623 5.259 21.482 467 HB2 CYS 62 1HB CYS 62 1.327 3.285 21.248 468 HB3 CYS 62 2HB CYS 62 1.180 4.941 21.842 469 H ALA 63 H ALA 63 2.994 5.903 23.573 470 HA ALA 63 HA ALA 63 3.936 4.003 25.598 471 HB1 ALA 63 1HB ALA 63 4.741 6.319 25.609 472 HB2 ALA 63 2HB ALA 63 3.071 6.914 25.812 473 HB3 ALA 63 3HB ALA 63 3.842 5.960 27.103 474 H THR 64 H THR 64 0.983 4.409 24.208 475 HA THR 64 HA THR 64 -0.391 3.318 26.553 476 HB THR 64 HB THR 64 -0.686 5.914 26.503 477 HG1 THR 64 HG1 THR 64 -3.173 4.650 26.224 478 HG21 THR 64 1HG2 THR 64 -2.350 6.780 24.984 479 HG22 THR 64 2HG2 THR 64 -2.561 5.180 24.243 480 HG23 THR 64 3HG2 THR 64 -1.028 6.065 24.039 481 HA PRO 65 HA PRO 65 -1.857 0.933 23.104 482 HB2 PRO 65 1HB PRO 65 -4.135 -0.196 24.053 483 HB3 PRO 65 2HB PRO 65 -2.534 -0.593 24.762 484 HG2 PRO 65 1HG PRO 65 -4.580 1.404 25.715 485 HG3 PRO 65 2HG PRO 65 -3.765 0.102 26.640 486 HD2 PRO 65 1HD PRO 65 -2.876 2.676 26.663 487 HD3 PRO 65 2HD PRO 65 -1.746 1.288 26.747 488 H ALA 66 H ALA 66 -3.580 0.705 21.512 489 HA ALA 66 HA ALA 66 -4.829 3.191 20.814 490 HB1 ALA 66 1HB ALA 66 -5.367 0.371 19.784 491 HB2 ALA 66 2HB ALA 66 -5.823 1.889 18.979 492 HB3 ALA 66 3HB ALA 66 -4.103 1.468 19.161 493 H LYS 67 H LYS 67 -7.040 3.748 20.801 494 HA LYS 67 HA LYS 67 -8.619 2.537 22.953 495 HB2 LYS 67 1HB LYS 67 -8.589 5.007 22.490 496 HB3 LYS 67 2HB LYS 67 -9.428 4.692 20.964 497 HG2 LYS 67 1HG LYS 67 -11.299 3.670 22.232 498 HG3 LYS 67 2HG LYS 67 -10.458 4.041 23.749 499 HD2 LYS 67 1HD LYS 67 -10.499 6.466 23.094 500 HD3 LYS 67 2HD LYS 67 -11.505 6.026 21.698 501 HE2 LYS 67 1HE LYS 67 -12.197 5.535 24.629 502 HE3 LYS 67 2HE LYS 67 -12.866 6.827 23.615 503 HZ1 LYS 67 1HZ LYS 67 -13.233 3.912 23.176 504 HZ2 LYS 67 2HZ LYS 67 -13.826 5.096 22.194 505 HZ3 LYS 67 3HZ LYS 67 -14.374 4.954 23.740 506 H SER 68 H SER 68 -9.189 0.510 22.406 507 HA SER 68 HA SER 68 -10.341 -0.145 19.798 508 HB2 SER 68 1HB SER 68 -10.177 -1.744 22.383 509 HB3 SER 68 2HB SER 68 -10.648 -2.381 20.791 510 HG SER 68 HG SER 68 -8.147 -1.148 21.390 511 H GLU 69 H GLU 69 -11.934 1.572 19.977 512 HA GLU 69 HA GLU 69 -14.058 2.353 20.175 513 HB2 GLU 69 1HB GLU 69 -14.833 -0.418 21.135 514 HB3 GLU 69 2HB GLU 69 -15.938 0.865 20.644 515 HG2 GLU 69 1HG GLU 69 -14.901 0.829 18.370 516 HG3 GLU 69 2HG GLU 69 -13.926 -0.560 18.880 Start of MODEL 9 1 H1 ALA 1 1H ALA 1 11.554 17.973 -5.915 2 H2 ALA 1 2H ALA 1 11.226 17.769 -4.310 3 H3 ALA 1 3H ALA 1 12.079 16.620 -5.128 4 HA ALA 1 HA ALA 1 9.258 17.331 -5.584 5 HB1 ALA 1 1HB ALA 1 9.231 15.423 -7.177 6 HB2 ALA 1 2HB ALA 1 10.408 16.653 -7.695 7 HB3 ALA 1 3HB ALA 1 10.968 15.157 -6.902 8 H TYR 2 H TYR 2 7.754 15.681 -4.923 9 HA TYR 2 HA TYR 2 8.347 14.604 -2.341 10 HB2 TYR 2 1HB TYR 2 6.113 15.312 -3.023 11 HB3 TYR 2 2HB TYR 2 6.092 14.115 -4.323 12 HD1 TYR 2 HD1 TYR 2 6.178 14.455 -0.576 13 HD2 TYR 2 HD2 TYR 2 5.315 11.896 -3.935 14 HE1 TYR 2 HE1 TYR 2 5.184 12.754 0.961 15 HE2 TYR 2 HE2 TYR 2 4.317 10.213 -2.388 16 HH TYR 2 HH TYR 2 4.269 10.641 1.140 17 H ARG 3 H ARG 3 8.559 12.490 -1.637 18 HA ARG 3 HA ARG 3 8.780 10.292 -3.641 19 HB2 ARG 3 1HB ARG 3 10.758 11.011 -1.427 20 HB3 ARG 3 2HB ARG 3 10.563 9.354 -2.002 21 HG2 ARG 3 1HG ARG 3 11.117 10.150 -4.310 22 HG3 ARG 3 2HG ARG 3 11.549 11.722 -3.597 23 HD2 ARG 3 1HD ARG 3 13.207 10.616 -2.145 24 HD3 ARG 3 2HD ARG 3 12.713 9.033 -2.763 25 HE ARG 3 HE ARG 3 13.831 9.425 -4.776 26 HH11 ARG 3 1HH1 ARG 3 14.108 12.270 -2.697 27 HH12 ARG 3 2HH1 ARG 3 15.400 12.951 -3.649 28 HH21 ARG 3 1HH2 ARG 3 15.476 10.354 -5.935 29 HH22 ARG 3 2HH2 ARG 3 16.160 11.882 -5.450 30 HA PRO 4 HA PRO 4 5.953 8.762 -0.636 31 HB2 PRO 4 1HB PRO 4 6.525 6.075 -0.421 32 HB3 PRO 4 2HB PRO 4 5.681 6.807 -1.822 33 HG2 PRO 4 1HG PRO 4 8.592 6.154 -1.525 34 HG3 PRO 4 2HG PRO 4 7.475 5.735 -2.858 35 HD2 PRO 4 1HD PRO 4 9.122 7.834 -3.058 36 HD3 PRO 4 2HD PRO 4 7.430 7.950 -3.655 37 H SER 5 H SER 5 9.365 8.137 -0.149 38 HA SER 5 HA SER 5 10.692 8.195 1.689 39 HB2 SER 5 1HB SER 5 8.439 9.821 2.873 40 HB3 SER 5 2HB SER 5 10.161 9.878 3.314 41 HG SER 5 HG SER 5 8.855 10.761 0.965 42 H GLU 6 H GLU 6 9.975 5.853 1.687 43 HA GLU 6 HA GLU 6 8.288 4.842 3.777 44 HB2 GLU 6 1HB GLU 6 10.671 3.421 2.546 45 HB3 GLU 6 2HB GLU 6 9.178 2.713 3.166 46 HG2 GLU 6 1HG GLU 6 8.681 2.565 0.954 47 HG3 GLU 6 2HG GLU 6 8.128 4.230 1.179 48 H THR 7 H THR 7 11.088 6.535 4.116 49 HA THR 7 HA THR 7 11.857 5.125 6.624 50 HB THR 7 HB THR 7 14.169 6.089 6.204 51 HG1 THR 7 HG1 THR 7 13.335 7.608 4.589 52 HG21 THR 7 1HG2 THR 7 13.162 4.184 4.066 53 HG22 THR 7 2HG2 THR 7 13.630 3.734 5.726 54 HG23 THR 7 3HG2 THR 7 14.844 4.390 4.608 55 H LEU 8 H LEU 8 12.306 6.347 8.364 56 HA LEU 8 HA LEU 8 12.152 9.328 8.126 57 HB2 LEU 8 1HB LEU 8 10.896 7.645 10.283 58 HB3 LEU 8 2HB LEU 8 10.987 9.395 10.289 59 HG LEU 8 HG LEU 8 9.466 7.750 8.354 60 HD11 LEU 8 1HD1 LEU 8 7.481 8.448 9.462 61 HD12 LEU 8 2HD1 LEU 8 8.470 9.297 10.661 62 HD13 LEU 8 3HD1 LEU 8 8.552 7.525 10.529 63 HD21 LEU 8 1HD2 LEU 8 8.453 9.827 7.594 64 HD22 LEU 8 2HD2 LEU 8 10.213 10.074 7.579 65 HD23 LEU 8 3HD2 LEU 8 9.233 10.724 8.920 66 H CYS 9 H CYS 9 13.435 10.391 9.475 67 HA CYS 9 HA CYS 9 15.079 8.737 11.365 68 HB2 CYS 9 1HB CYS 9 16.035 9.698 8.992 69 HB3 CYS 9 2HB CYS 9 16.483 11.002 10.094 70 H GLY 10 H GLY 10 16.674 10.987 12.260 71 HA2 GLY 10 1HA GLY 10 15.149 11.706 14.461 72 HA3 GLY 10 2HA GLY 10 16.554 12.619 13.900 73 H GLY 11 H GLY 11 13.688 13.191 15.024 74 HA2 GLY 11 1HA GLY 11 12.425 15.150 14.904 75 HA3 GLY 11 2HA GLY 11 13.268 15.596 13.414 76 H GLU 12 H GLU 12 12.780 13.687 11.632 77 HA GLU 12 HA GLU 12 10.075 14.164 10.829 78 HB2 GLU 12 1HB GLU 12 11.915 11.894 10.006 79 HB3 GLU 12 2HB GLU 12 10.567 12.532 9.068 80 HG2 GLU 12 1HG GLU 12 11.739 14.529 8.543 81 HG3 GLU 12 2HG GLU 12 12.960 14.243 9.794 82 H LEU 13 H LEU 13 11.729 11.377 12.256 83 HA LEU 13 HA LEU 13 9.505 9.602 12.256 84 HB2 LEU 13 1HB LEU 13 11.934 9.086 12.463 85 HB3 LEU 13 2HB LEU 13 11.905 9.693 14.104 86 HG LEU 13 HG LEU 13 10.684 7.831 14.882 87 HD11 LEU 13 1HD1 LEU 13 8.971 7.583 13.177 88 HD12 LEU 13 2HD1 LEU 13 9.819 6.046 13.362 89 HD13 LEU 13 3HD1 LEU 13 10.164 7.083 11.965 90 HD21 LEU 13 1HD2 LEU 13 13.056 7.468 14.426 91 HD22 LEU 13 2HD2 LEU 13 12.693 6.999 12.745 92 HD23 LEU 13 3HD2 LEU 13 12.154 5.975 14.090 93 H VAL 14 H VAL 14 10.689 11.999 14.575 94 HA VAL 14 HA VAL 14 8.970 11.284 16.763 95 HB VAL 14 HB VAL 14 10.335 13.903 15.990 96 HG11 VAL 14 1HG1 VAL 14 8.367 14.522 17.317 97 HG12 VAL 14 2HG1 VAL 14 8.780 13.296 18.534 98 HG13 VAL 14 3HG1 VAL 14 9.834 14.703 18.299 99 HG21 VAL 14 1HG2 VAL 14 11.874 13.351 17.807 100 HG22 VAL 14 2HG2 VAL 14 10.918 11.904 18.207 101 HG23 VAL 14 3HG2 VAL 14 11.798 11.994 16.660 102 H ASP 15 H ASP 15 8.634 13.558 14.000 103 HA ASP 15 HA ASP 15 6.131 14.623 14.837 104 HB2 ASP 15 1HB ASP 15 7.629 15.482 12.976 105 HB3 ASP 15 2HB ASP 15 7.001 14.171 11.966 106 H THR 16 H THR 16 6.919 11.756 12.821 107 HA THR 16 HA THR 16 4.155 11.137 12.307 108 HB THR 16 HB THR 16 6.577 9.312 12.256 109 HG1 THR 16 HG1 THR 16 7.028 10.921 10.860 110 HG21 THR 16 1HG2 THR 16 3.869 9.203 10.883 111 HG22 THR 16 2HG2 THR 16 4.489 8.075 12.115 112 HG23 THR 16 3HG2 THR 16 5.251 8.148 10.514 113 H LEU 17 H LEU 17 6.420 10.110 14.894 114 HA LEU 17 HA LEU 17 4.633 8.164 16.043 115 HB2 LEU 17 1HB LEU 17 6.967 9.766 17.066 116 HB3 LEU 17 2HB LEU 17 6.011 8.765 18.161 117 HG LEU 17 HG LEU 17 7.001 7.512 15.632 118 HD11 LEU 17 1HD1 LEU 17 8.955 8.706 16.513 119 HD12 LEU 17 2HD1 LEU 17 9.124 6.948 16.573 120 HD13 LEU 17 3HD1 LEU 17 8.758 7.854 18.063 121 HD21 LEU 17 1HD2 LEU 17 6.760 6.470 18.487 122 HD22 LEU 17 2HD2 LEU 17 7.094 5.510 17.025 123 HD23 LEU 17 3HD2 LEU 17 5.516 6.289 17.230 124 H GLN 18 H GLN 18 4.982 11.679 16.452 125 HA GLN 18 HA GLN 18 2.955 11.912 18.509 126 HB2 GLN 18 1HB GLN 18 4.092 13.851 16.476 127 HB3 GLN 18 2HB GLN 18 2.907 14.323 17.703 128 HG2 GLN 18 1HG GLN 18 4.427 13.797 19.496 129 HG3 GLN 18 2HG GLN 18 5.578 13.061 18.384 130 HE21 GLN 18 1HE2 GLN 18 5.788 16.787 17.180 131 HE22 GLN 18 2HE2 GLN 18 4.612 15.615 16.643 132 H PHE 19 H PHE 19 2.853 11.647 14.960 133 HA PHE 19 HA PHE 19 0.124 12.571 14.748 134 HB2 PHE 19 1HB PHE 19 1.664 12.576 12.839 135 HB3 PHE 19 2HB PHE 19 1.789 10.819 12.908 136 HD1 PHE 19 HD1 PHE 19 -0.563 13.620 12.208 137 HD2 PHE 19 HD2 PHE 19 0.183 9.393 11.897 138 HE1 PHE 19 HE1 PHE 19 -2.515 13.390 10.674 139 HE2 PHE 19 HE2 PHE 19 -1.764 9.152 10.365 140 HZ PHE 19 HZ PHE 19 -3.124 11.150 9.756 141 H VAL 20 H VAL 20 1.574 9.256 14.939 142 HA VAL 20 HA VAL 20 -1.006 8.030 14.571 143 HB VAL 20 HB VAL 20 0.080 5.886 15.001 144 HG11 VAL 20 1HG1 VAL 20 1.767 5.921 13.317 145 HG12 VAL 20 2HG1 VAL 20 0.462 7.038 12.853 146 HG13 VAL 20 3HG1 VAL 20 1.984 7.677 13.510 147 HG21 VAL 20 1HG2 VAL 20 2.385 5.711 15.735 148 HG22 VAL 20 2HG2 VAL 20 2.505 7.476 15.887 149 HG23 VAL 20 3HG2 VAL 20 1.435 6.556 16.956 150 H CYS 21 H CYS 21 0.597 9.179 17.418 151 HA CYS 21 HA CYS 21 -1.613 7.995 19.062 152 HB2 CYS 21 1HB CYS 21 1.353 7.848 19.571 153 HB3 CYS 21 2HB CYS 21 0.172 7.649 20.876 154 H GLY 22 H GLY 22 -0.367 10.908 18.187 155 HA2 GLY 22 1HA GLY 22 -0.890 12.974 19.063 156 HA3 GLY 22 2HA GLY 22 -1.655 12.185 20.445 157 H ASP 23 H ASP 23 -0.517 14.316 21.159 158 HA ASP 23 HA ASP 23 2.287 14.248 21.755 159 HB2 ASP 23 1HB ASP 23 0.122 15.715 23.288 160 HB3 ASP 23 2HB ASP 23 1.820 16.186 23.097 161 H ARG 24 H ARG 24 -0.005 12.195 22.840 162 HA ARG 24 HA ARG 24 0.198 12.203 25.679 163 HB2 ARG 24 1HB ARG 24 -0.272 9.833 23.835 164 HB3 ARG 24 2HB ARG 24 -0.751 9.950 25.529 165 HG2 ARG 24 1HG ARG 24 -1.875 12.090 23.787 166 HG3 ARG 24 2HG ARG 24 -2.373 10.451 23.360 167 HD2 ARG 24 1HD ARG 24 -3.964 11.386 24.887 168 HD3 ARG 24 2HD ARG 24 -3.082 10.081 25.702 169 HE ARG 24 HE ARG 24 -1.731 12.479 26.284 170 HH11 ARG 24 1HH1 ARG 24 -4.922 11.121 26.939 171 HH12 ARG 24 2HH1 ARG 24 -5.097 12.003 28.432 172 HH21 ARG 24 1HH2 ARG 24 -2.021 13.572 28.201 173 HH22 ARG 24 2HH2 ARG 24 -3.483 13.371 29.129 174 H GLY 25 H GLY 25 2.392 11.093 23.237 175 HA2 GLY 25 1HA GLY 25 4.693 10.875 23.889 176 HA3 GLY 25 2HA GLY 25 4.186 10.184 25.431 177 H PHE 26 H PHE 26 6.161 9.108 23.838 178 HA PHE 26 HA PHE 26 5.134 6.416 23.355 179 HB2 PHE 26 1HB PHE 26 6.204 6.427 21.033 180 HB3 PHE 26 2HB PHE 26 4.657 7.266 21.184 181 HD1 PHE 26 HD1 PHE 26 4.429 9.609 20.878 182 HD2 PHE 26 HD2 PHE 26 8.322 7.767 20.836 183 HE1 PHE 26 HE1 PHE 26 5.412 11.711 20.030 184 HE2 PHE 26 HE2 PHE 26 9.310 9.877 19.946 185 HZ PHE 26 HZ PHE 26 7.853 11.854 19.554 186 H TYR 27 H TYR 27 6.976 4.992 22.749 187 HA TYR 27 HA TYR 27 9.415 5.833 24.249 188 HB2 TYR 27 1HB TYR 27 8.451 3.159 23.135 189 HB3 TYR 27 2HB TYR 27 9.952 3.407 24.020 190 HD1 TYR 27 HD1 TYR 27 9.935 3.847 26.468 191 HD2 TYR 27 HD2 TYR 27 6.262 3.064 24.332 192 HE1 TYR 27 HE1 TYR 27 8.773 3.357 28.618 193 HE2 TYR 27 HE2 TYR 27 5.145 2.542 26.495 194 HH TYR 27 HH TYR 27 5.333 2.437 28.759 195 H PHE 28 H PHE 28 11.539 5.445 23.090 196 HA PHE 28 HA PHE 28 11.164 5.457 20.116 197 HB2 PHE 28 1HB PHE 28 12.710 7.166 21.751 198 HB3 PHE 28 2HB PHE 28 13.862 6.045 21.034 199 HD1 PHE 28 HD1 PHE 28 14.694 6.486 18.871 200 HD2 PHE 28 HD2 PHE 28 10.965 8.256 20.098 201 HE1 PHE 28 HE1 PHE 28 14.640 7.828 16.774 202 HE2 PHE 28 HE2 PHE 28 10.894 9.573 17.988 203 HZ PHE 28 HZ PHE 28 12.735 9.367 16.324 204 H ASN 29 H ASN 29 12.502 3.973 22.972 205 HA ASN 29 HA ASN 29 13.215 1.598 21.412 206 HB2 ASN 29 1HB ASN 29 15.482 1.597 22.319 207 HB3 ASN 29 2HB ASN 29 15.195 2.998 21.322 208 HD21 ASN 29 1HD2 ASN 29 15.829 5.306 23.826 209 HD22 ASN 29 2HD2 ASN 29 15.347 5.008 22.171 210 H ARG 30 H ARG 30 11.383 2.474 23.616 211 HA ARG 30 HA ARG 30 10.550 1.629 25.592 212 HB2 ARG 30 1HB ARG 30 11.579 -1.029 24.636 213 HB3 ARG 30 2HB ARG 30 10.054 -0.609 25.403 214 HG2 ARG 30 1HG ARG 30 9.753 0.828 23.191 215 HG3 ARG 30 2HG ARG 30 10.901 -0.369 22.568 216 HD2 ARG 30 1HD ARG 30 8.186 -0.878 23.852 217 HD3 ARG 30 2HD ARG 30 8.598 -1.087 22.141 218 HE ARG 30 HE ARG 30 10.333 -2.719 23.681 219 HH11 ARG 30 1HH1 ARG 30 6.902 -2.576 22.846 220 HH12 ARG 30 2HH1 ARG 30 6.686 -4.293 23.054 221 HH21 ARG 30 1HH2 ARG 30 9.975 -4.908 23.928 222 HH22 ARG 30 2HH2 ARG 30 8.397 -5.585 23.639 223 HA PRO 31 HA PRO 31 14.819 0.790 27.146 224 HB2 PRO 31 1HB PRO 31 15.427 3.014 28.676 225 HB3 PRO 31 2HB PRO 31 15.693 2.913 26.927 226 HG2 PRO 31 1HG PRO 31 13.395 4.164 28.378 227 HG3 PRO 31 2HG PRO 31 14.376 4.824 27.033 228 HD2 PRO 31 1HD PRO 31 11.960 3.654 26.616 229 HD3 PRO 31 2HD PRO 31 13.304 3.487 25.441 230 H ALA 32 H ALA 32 12.438 2.502 29.102 231 HA ALA 32 HA ALA 32 11.824 2.416 31.312 232 HB1 ALA 32 1HB ALA 32 11.379 0.192 32.236 233 HB2 ALA 32 2HB ALA 32 10.916 0.228 30.517 234 HB3 ALA 32 3HB ALA 32 12.433 -0.560 31.017 235 H SER 33 H SER 33 14.602 3.026 30.732 236 HA SER 33 HA SER 33 15.886 2.220 33.283 237 HB2 SER 33 1HB SER 33 17.093 1.913 30.506 238 HB3 SER 33 2HB SER 33 17.976 1.710 32.032 239 HG SER 33 HG SER 33 15.768 0.170 31.097 240 H ARG 34 H ARG 34 17.910 3.422 33.622 241 HA ARG 34 HA ARG 34 17.495 6.271 33.224 242 HB2 ARG 34 1HB ARG 34 19.508 6.450 34.693 243 HB3 ARG 34 2HB ARG 34 18.190 5.498 35.383 244 HG2 ARG 34 1HG ARG 34 19.331 3.423 34.973 245 HG3 ARG 34 2HG ARG 34 20.576 4.224 33.986 246 HD2 ARG 34 1HD ARG 34 21.331 5.484 35.893 247 HD3 ARG 34 2HD ARG 34 20.049 4.787 36.902 248 HE ARG 34 HE ARG 34 21.566 2.659 35.797 249 HH11 ARG 34 1HH1 ARG 34 22.001 5.231 38.182 250 HH12 ARG 34 2HH1 ARG 34 23.180 4.317 39.085 251 HH21 ARG 34 1HH2 ARG 34 23.068 1.552 37.012 252 HH22 ARG 34 2HH2 ARG 34 23.767 2.277 38.433 253 H VAL 35 H VAL 35 17.924 5.099 30.820 254 HA VAL 35 HA VAL 35 20.619 5.231 29.854 255 HB VAL 35 HB VAL 35 19.643 5.312 27.579 256 HG11 VAL 35 1HG1 VAL 35 19.748 3.163 28.846 257 HG12 VAL 35 2HG1 VAL 35 18.072 3.429 29.376 258 HG13 VAL 35 3HG1 VAL 35 18.433 3.208 27.653 259 HG21 VAL 35 1HG2 VAL 35 16.948 5.671 28.993 260 HG22 VAL 35 2HG2 VAL 35 17.759 6.863 27.946 261 HG23 VAL 35 3HG2 VAL 35 17.173 5.339 27.261 262 H SER 36 H SER 36 18.329 7.738 30.547 263 HA SER 36 HA SER 36 18.429 9.984 30.504 264 HB2 SER 36 1HB SER 36 20.636 9.377 31.661 265 HB3 SER 36 2HB SER 36 21.427 9.770 30.121 266 HG SER 36 HG SER 36 21.209 11.522 31.731 267 H ARG 37 H ARG 37 19.918 11.826 29.251 268 HA ARG 37 HA ARG 37 18.854 11.677 26.515 269 HB2 ARG 37 1HB ARG 37 20.313 13.842 28.071 270 HB3 ARG 37 2HB ARG 37 19.848 14.023 26.374 271 HG2 ARG 37 1HG ARG 37 17.491 13.694 26.952 272 HG3 ARG 37 2HG ARG 37 17.921 13.565 28.670 273 HD2 ARG 37 1HD ARG 37 18.741 15.833 28.712 274 HD3 ARG 37 2HD ARG 37 18.653 15.969 26.949 275 HE ARG 37 HE ARG 37 16.412 16.130 28.866 276 HH11 ARG 37 1HH1 ARG 37 17.383 16.098 25.463 277 HH12 ARG 37 2HH1 ARG 37 15.855 16.744 24.930 278 HH21 ARG 37 1HH2 ARG 37 14.492 16.955 28.098 279 HH22 ARG 37 2HH2 ARG 37 14.257 17.218 26.393 280 H ARG 38 H ARG 38 20.827 9.708 26.829 281 HA ARG 38 HA ARG 38 23.284 10.728 25.507 282 HB2 ARG 38 1HB ARG 38 22.354 7.927 26.258 283 HB3 ARG 38 2HB ARG 38 23.907 8.295 25.496 284 HG2 ARG 38 1HG ARG 38 24.534 9.681 27.433 285 HG3 ARG 38 2HG ARG 38 23.005 9.246 28.228 286 HD2 ARG 38 1HD ARG 38 23.622 6.857 28.112 287 HD3 ARG 38 2HD ARG 38 25.121 7.278 27.273 288 HE ARG 38 HE ARG 38 26.070 8.021 29.263 289 HH11 ARG 38 1HH1 ARG 38 22.674 7.218 29.852 290 HH12 ARG 38 2HH1 ARG 38 22.891 7.190 31.586 291 HH21 ARG 38 1HH2 ARG 38 26.262 7.989 31.468 292 HH22 ARG 38 2HH2 ARG 38 24.887 7.643 32.482 293 H SER 39 H SER 39 20.549 10.849 24.311 294 HA SER 39 HA SER 39 19.546 10.735 22.299 295 HB2 SER 39 1HB SER 39 21.855 11.278 21.439 296 HB3 SER 39 2HB SER 39 22.069 9.542 21.127 297 HG SER 39 HG SER 39 21.283 10.595 19.283 298 HA PRO 40 HA PRO 40 18.206 6.519 22.233 299 HB2 PRO 40 1HB PRO 40 16.143 6.619 20.487 300 HB3 PRO 40 2HB PRO 40 16.056 7.435 22.079 301 HG2 PRO 40 1HG PRO 40 16.706 8.612 19.386 302 HG3 PRO 40 2HG PRO 40 15.565 9.204 20.632 303 HD2 PRO 40 1HD PRO 40 18.126 10.153 20.335 304 HD3 PRO 40 2HD PRO 40 17.262 10.123 21.911 305 H GLN 41 H GLN 41 20.337 5.996 21.265 306 HA GLN 41 HA GLN 41 20.919 6.169 18.514 307 HB2 GLN 41 1HB GLN 41 21.907 4.116 20.525 308 HB3 GLN 41 2HB GLN 41 22.676 4.515 18.986 309 HG2 GLN 41 1HG GLN 41 22.372 6.975 20.346 310 HG3 GLN 41 2HG GLN 41 22.917 5.816 21.567 311 HE21 GLN 41 1HE2 GLN 41 26.213 5.954 20.461 312 HE22 GLN 41 2HE2 GLN 41 25.069 5.659 21.746 313 H ARG 42 H ARG 42 19.108 3.667 20.234 314 HA ARG 42 HA ARG 42 18.779 2.277 17.633 315 HB2 ARG 42 1HB ARG 42 18.819 0.221 18.689 316 HB3 ARG 42 2HB ARG 42 20.162 1.079 19.408 317 HG2 ARG 42 1HG ARG 42 18.900 1.403 21.452 318 HG3 ARG 42 2HG ARG 42 17.421 0.799 20.675 319 HD2 ARG 42 1HD ARG 42 18.703 -1.336 20.198 320 HD3 ARG 42 2HD ARG 42 19.893 -0.749 21.378 321 HE ARG 42 HE ARG 42 18.296 -0.975 23.116 322 HH11 ARG 42 1HH1 ARG 42 16.885 -1.947 20.018 323 HH12 ARG 42 2HH1 ARG 42 15.504 -2.687 20.782 324 HH21 ARG 42 1HH2 ARG 42 16.491 -1.923 24.007 325 HH22 ARG 42 2HH2 ARG 42 15.290 -2.668 22.995 326 H GLY 43 H GLY 43 16.737 0.690 17.868 327 HA2 GLY 43 1HA GLY 43 14.614 0.390 18.998 328 HA3 GLY 43 2HA GLY 43 14.576 2.127 19.307 329 H ILE 44 H ILE 44 12.875 2.880 18.220 330 HA ILE 44 HA ILE 44 11.862 1.794 15.788 331 HB ILE 44 HB ILE 44 10.506 3.210 17.325 332 HG12 ILE 44 1HG1 ILE 44 9.629 4.871 15.553 333 HG13 ILE 44 2HG1 ILE 44 10.807 4.165 14.466 334 HG21 ILE 44 1HG2 ILE 44 12.103 5.589 16.302 335 HG22 ILE 44 2HG2 ILE 44 10.777 5.606 17.482 336 HG23 ILE 44 3HG2 ILE 44 12.323 4.855 17.896 337 HD11 ILE 44 1HD1 ILE 44 8.499 2.741 15.813 338 HD12 ILE 44 2HD1 ILE 44 8.664 3.136 14.092 339 HD13 ILE 44 3HD1 ILE 44 9.743 1.928 14.828 340 H VAL 45 H VAL 45 14.394 4.177 16.419 341 HA VAL 45 HA VAL 45 14.567 5.190 13.763 342 HB VAL 45 HB VAL 45 15.604 6.390 15.570 343 HG11 VAL 45 1HG1 VAL 45 17.333 3.943 16.003 344 HG12 VAL 45 2HG1 VAL 45 17.626 5.526 16.741 345 HG13 VAL 45 3HG1 VAL 45 16.137 4.653 17.126 346 HG21 VAL 45 1HG2 VAL 45 17.803 5.304 13.773 347 HG22 VAL 45 2HG2 VAL 45 16.661 6.599 13.345 348 HG23 VAL 45 3HG2 VAL 45 17.822 6.838 14.668 349 H GLU 46 H GLU 46 15.741 2.184 15.231 350 HA GLU 46 HA GLU 46 17.431 1.536 12.952 351 HB2 GLU 46 1HB GLU 46 16.295 -0.273 15.100 352 HB3 GLU 46 2HB GLU 46 17.537 -0.691 13.906 353 HG2 GLU 46 1HG GLU 46 18.848 1.288 14.886 354 HG3 GLU 46 2HG GLU 46 17.724 1.176 16.232 355 H GLU 47 H GLU 47 14.044 1.268 13.745 356 HA GLU 47 HA GLU 47 13.600 -0.734 11.637 357 HB2 GLU 47 1HB GLU 47 11.575 0.836 13.272 358 HB3 GLU 47 2HB GLU 47 11.261 -0.574 12.258 359 HG2 GLU 47 1HG GLU 47 12.836 -0.477 14.846 360 HG3 GLU 47 2HG GLU 47 11.276 -1.258 14.568 361 H CYS 48 H CYS 48 13.311 2.765 12.087 362 HA CYS 48 HA CYS 48 11.956 2.936 9.443 363 HB2 CYS 48 1HB CYS 48 12.090 4.888 11.744 364 HB3 CYS 48 2HB CYS 48 11.317 5.217 10.192 365 H CYS 49 H CYS 49 15.023 3.859 10.931 366 HA CYS 49 HA CYS 49 15.488 5.613 8.539 367 HB2 CYS 49 1HB CYS 49 15.814 6.582 10.867 368 HB3 CYS 49 2HB CYS 49 17.211 5.512 11.027 369 H PHE 50 H PHE 50 16.899 2.963 10.493 370 HA PHE 50 HA PHE 50 18.980 2.506 8.460 371 HB2 PHE 50 1HB PHE 50 18.178 0.950 10.939 372 HB3 PHE 50 2HB PHE 50 19.508 0.501 9.875 373 HD1 PHE 50 HD1 PHE 50 18.336 3.090 12.281 374 HD2 PHE 50 HD2 PHE 50 21.635 1.623 9.962 375 HE1 PHE 50 HE1 PHE 50 19.856 4.526 13.588 376 HE2 PHE 50 HE2 PHE 50 23.182 3.099 11.249 377 HZ PHE 50 HZ PHE 50 22.284 4.552 13.079 378 H ARG 51 H ARG 51 15.709 1.721 8.840 379 HA ARG 51 HA ARG 51 15.794 -0.114 6.532 380 HB2 ARG 51 1HB ARG 51 14.389 -0.793 9.158 381 HB3 ARG 51 2HB ARG 51 14.060 -1.584 7.611 382 HG2 ARG 51 1HG ARG 51 16.721 -1.637 9.069 383 HG3 ARG 51 2HG ARG 51 15.505 -2.923 9.122 384 HD2 ARG 51 1HD ARG 51 15.698 -3.193 6.668 385 HD3 ARG 51 2HD ARG 51 16.937 -1.923 6.632 386 HE ARG 51 HE ARG 51 17.677 -3.961 8.492 387 HH11 ARG 51 1HH1 ARG 51 17.540 -3.358 5.023 388 HH12 ARG 51 2HH1 ARG 51 18.823 -4.487 4.676 389 HH21 ARG 51 1HH2 ARG 51 19.316 -5.382 7.979 390 HH22 ARG 51 2HH2 ARG 51 19.811 -5.607 6.325 391 H SER 52 H SER 52 13.322 -0.482 6.005 392 HA SER 52 HA SER 52 11.993 2.149 6.174 393 HB2 SER 52 1HB SER 52 10.534 1.101 4.456 394 HB3 SER 52 2HB SER 52 12.250 1.097 3.999 395 HG SER 52 HG SER 52 10.880 -0.934 3.805 396 H CYS 53 H CYS 53 9.725 2.251 6.814 397 HA CYS 53 HA CYS 53 8.671 -0.109 8.276 398 HB2 CYS 53 1HB CYS 53 8.350 1.064 10.337 399 HB3 CYS 53 2HB CYS 53 10.053 1.177 9.904 400 H ASP 54 H ASP 54 6.447 0.632 9.302 401 HA ASP 54 HA ASP 54 5.002 2.425 7.399 402 HB2 ASP 54 1HB ASP 54 4.527 0.121 6.722 403 HB3 ASP 54 2HB ASP 54 4.221 -0.340 8.405 404 H LEU 55 H LEU 55 2.895 3.131 8.416 405 HA LEU 55 HA LEU 55 3.330 4.263 10.979 406 HB2 LEU 55 1HB LEU 55 1.511 5.391 10.455 407 HB3 LEU 55 2HB LEU 55 1.488 4.465 8.956 408 HG LEU 55 HG LEU 55 -0.099 3.469 11.297 409 HD11 LEU 55 1HD1 LEU 55 -0.654 5.847 11.099 410 HD12 LEU 55 2HD1 LEU 55 -1.990 4.843 10.503 411 HD13 LEU 55 3HD1 LEU 55 -0.908 5.659 9.346 412 HD21 LEU 55 1HD2 LEU 55 -1.537 2.599 9.506 413 HD22 LEU 55 2HD2 LEU 55 0.131 2.084 9.202 414 HD23 LEU 55 3HD2 LEU 55 -0.559 3.426 8.273 415 H ALA 56 H ALA 56 1.868 1.183 10.048 416 HA ALA 56 HA ALA 56 0.621 0.708 12.589 417 HB1 ALA 56 1HB ALA 56 0.299 -1.515 11.701 418 HB2 ALA 56 2HB ALA 56 0.059 -0.309 10.396 419 HB3 ALA 56 3HB ALA 56 1.571 -1.240 10.474 420 H LEU 57 H LEU 57 3.769 -0.196 11.171 421 HA LEU 57 HA LEU 57 4.699 -1.774 13.396 422 HB2 LEU 57 1HB LEU 57 5.649 -1.746 11.084 423 HB3 LEU 57 2HB LEU 57 6.253 -0.124 11.356 424 HG LEU 57 HG LEU 57 7.178 -2.471 13.026 425 HD11 LEU 57 1HD1 LEU 57 8.362 -1.444 10.417 426 HD12 LEU 57 2HD1 LEU 57 7.504 -2.987 10.634 427 HD13 LEU 57 3HD1 LEU 57 9.050 -2.711 11.456 428 HD21 LEU 57 1HD2 LEU 57 9.240 -1.103 13.258 429 HD22 LEU 57 2HD2 LEU 57 7.828 -0.313 13.958 430 HD23 LEU 57 3HD2 LEU 57 8.443 0.222 12.382 431 H LEU 58 H LEU 58 4.936 1.641 12.450 432 HA LEU 58 HA LEU 58 6.591 2.521 14.524 433 HB2 LEU 58 1HB LEU 58 6.060 3.508 12.327 434 HB3 LEU 58 2HB LEU 58 4.466 3.908 12.911 435 HG LEU 58 HG LEU 58 6.750 4.983 14.411 436 HD11 LEU 58 1HD1 LEU 58 6.925 6.851 12.743 437 HD12 LEU 58 2HD1 LEU 58 5.910 5.898 11.639 438 HD13 LEU 58 3HD1 LEU 58 7.508 5.290 12.128 439 HD21 LEU 58 1HD2 LEU 58 4.041 5.992 13.486 440 HD22 LEU 58 2HD2 LEU 58 5.206 6.984 14.373 441 HD23 LEU 58 3HD2 LEU 58 4.520 5.542 15.136 442 H GLU 59 H GLU 59 3.057 2.223 14.363 443 HA GLU 59 HA GLU 59 2.456 3.683 16.722 444 HB2 GLU 59 1HB GLU 59 0.888 2.982 14.913 445 HB3 GLU 59 2HB GLU 59 0.979 1.322 15.512 446 HG2 GLU 59 1HG GLU 59 -0.025 1.992 17.615 447 HG3 GLU 59 2HG GLU 59 0.031 3.682 17.129 448 HE2 GLU 59 HE2 GLU 59 -1.890 4.133 17.030 449 H THR 60 H THR 60 3.773 0.440 16.374 450 HA THR 60 HA THR 60 2.837 -0.578 18.876 451 HB THR 60 HB THR 60 4.481 -2.321 18.645 452 HG1 THR 60 HG1 THR 60 5.652 -0.877 16.485 453 HG21 THR 60 1HG2 THR 60 3.679 -1.509 15.827 454 HG22 THR 60 2HG2 THR 60 2.526 -2.176 16.999 455 HG23 THR 60 3HG2 THR 60 3.919 -3.148 16.463 456 H TYR 61 H TYR 61 5.211 1.811 18.206 457 HA TYR 61 HA TYR 61 6.680 1.344 20.719 458 HB2 TYR 61 1HB TYR 61 6.944 3.164 18.354 459 HB3 TYR 61 2HB TYR 61 7.695 3.634 19.874 460 HD1 TYR 61 HD1 TYR 61 9.642 2.533 20.732 461 HD2 TYR 61 HD2 TYR 61 7.677 1.011 17.221 462 HE1 TYR 61 HE1 TYR 61 11.591 1.037 20.290 463 HE2 TYR 61 HE2 TYR 61 9.642 -0.458 16.754 464 HH TYR 61 HH TYR 61 11.715 -1.155 17.479 465 H CYS 62 H CYS 62 3.698 2.736 20.072 466 HA CYS 62 HA CYS 62 3.896 5.209 21.483 467 HB2 CYS 62 1HB CYS 62 1.550 3.342 21.085 468 HB3 CYS 62 2HB CYS 62 1.439 4.982 21.755 469 H ALA 63 H ALA 63 3.110 5.824 23.563 470 HA ALA 63 HA ALA 63 4.144 4.016 25.575 471 HB1 ALA 63 1HB ALA 63 4.578 6.390 25.731 472 HB2 ALA 63 2HB ALA 63 2.831 6.747 25.774 473 HB3 ALA 63 3HB ALA 63 3.602 5.878 27.127 474 H THR 64 H THR 64 0.971 4.860 24.401 475 HA THR 64 HA THR 64 -0.268 2.830 26.066 476 HB THR 64 HB THR 64 -0.126 5.007 27.509 477 HG1 THR 64 HG1 THR 64 -2.263 4.678 28.252 478 HG21 THR 64 1HG2 THR 64 -0.802 6.518 25.603 479 HG22 THR 64 2HG2 THR 64 -1.741 6.719 27.098 480 HG23 THR 64 3HG2 THR 64 -2.434 5.814 25.732 481 HA PRO 65 HA PRO 65 -2.633 3.018 22.275 482 HB2 PRO 65 1HB PRO 65 -4.873 1.631 22.895 483 HB3 PRO 65 2HB PRO 65 -3.268 0.830 22.893 484 HG2 PRO 65 1HG PRO 65 -4.803 1.984 25.216 485 HG3 PRO 65 2HG PRO 65 -4.081 0.351 25.047 486 HD2 PRO 65 1HD PRO 65 -2.792 2.394 26.321 487 HD3 PRO 65 2HD PRO 65 -1.907 1.154 25.374 488 H ALA 66 H ALA 66 -4.680 3.774 21.316 489 HA ALA 66 HA ALA 66 -5.665 6.209 22.541 490 HB1 ALA 66 1HB ALA 66 -5.474 5.937 20.081 491 HB2 ALA 66 2HB ALA 66 -6.665 4.611 20.141 492 HB3 ALA 66 3HB ALA 66 -7.160 6.266 20.561 493 H LYS 67 H LYS 67 -7.900 6.587 23.139 494 HA LYS 67 HA LYS 67 -9.486 4.134 23.729 495 HB2 LYS 67 1HB LYS 67 -8.348 4.907 25.815 496 HB3 LYS 67 2HB LYS 67 -9.125 6.485 25.629 497 HG2 LYS 67 1HG LYS 67 -11.349 5.398 25.802 498 HG3 LYS 67 2HG LYS 67 -10.550 3.829 26.025 499 HD2 LYS 67 1HD LYS 67 -9.483 4.650 28.085 500 HD3 LYS 67 2HD LYS 67 -10.201 6.253 27.832 501 HE2 LYS 67 1HE LYS 67 -11.528 5.044 29.472 502 HE3 LYS 67 2HE LYS 67 -12.472 5.247 27.984 503 HZ1 LYS 67 1HZ LYS 67 -11.037 2.775 28.776 504 HZ2 LYS 67 2HZ LYS 67 -11.911 2.966 27.389 505 HZ3 LYS 67 3HZ LYS 67 -12.671 3.005 28.853 506 H SER 68 H SER 68 -11.088 4.368 22.285 507 HA SER 68 HA SER 68 -12.745 6.815 22.494 508 HB2 SER 68 1HB SER 68 -11.906 5.509 19.872 509 HB3 SER 68 2HB SER 68 -13.003 6.895 20.059 510 HG SER 68 HG SER 68 -11.178 7.970 21.100 511 H GLU 69 H GLU 69 -14.769 6.244 22.899 512 HA GLU 69 HA GLU 69 -16.072 3.939 21.703 513 HB2 GLU 69 1HB GLU 69 -14.837 2.870 23.612 514 HB3 GLU 69 2HB GLU 69 -15.571 4.035 24.718 515 HG2 GLU 69 1HG GLU 69 -17.792 3.136 24.257 516 HG3 GLU 69 2HG GLU 69 -17.119 2.025 23.051 Start of MODEL 10 1 H1 ALA 1 1H ALA 1 -1.985 3.585 0.186 2 H2 ALA 1 2H ALA 1 -2.950 2.983 -1.009 3 H3 ALA 1 3H ALA 1 -1.437 2.367 -0.777 4 HA ALA 1 HA ALA 1 -1.426 3.777 -2.701 5 HB1 ALA 1 1HB ALA 1 -1.915 6.207 -2.433 6 HB2 ALA 1 2HB ALA 1 -3.344 5.221 -2.040 7 HB3 ALA 1 3HB ALA 1 -2.363 5.932 -0.733 8 H TYR 2 H TYR 2 0.541 4.774 -3.245 9 HA TYR 2 HA TYR 2 2.669 4.382 -1.353 10 HB2 TYR 2 1HB TYR 2 3.004 4.095 -3.742 11 HB3 TYR 2 2HB TYR 2 2.517 5.765 -4.054 12 HD1 TYR 2 HD1 TYR 2 4.115 7.529 -4.044 13 HD2 TYR 2 HD2 TYR 2 5.170 3.712 -2.344 14 HE1 TYR 2 HE1 TYR 2 6.490 8.264 -3.843 15 HE2 TYR 2 HE2 TYR 2 7.538 4.469 -2.135 16 HH TYR 2 HH TYR 2 8.617 7.682 -3.252 17 H ARG 3 H ARG 3 3.923 5.821 -0.225 18 HA ARG 3 HA ARG 3 3.379 8.723 -0.508 19 HB2 ARG 3 1HB ARG 3 3.601 7.156 2.099 20 HB3 ARG 3 2HB ARG 3 3.816 8.908 1.984 21 HG2 ARG 3 1HG ARG 3 1.531 9.194 1.237 22 HG3 ARG 3 2HG ARG 3 1.276 7.435 1.228 23 HD2 ARG 3 1HD ARG 3 1.694 7.343 3.647 24 HD3 ARG 3 2HD ARG 3 2.001 9.091 3.675 25 HE ARG 3 HE ARG 3 -0.557 8.700 2.551 26 HH11 ARG 3 1HH1 ARG 3 0.995 8.209 5.686 27 HH12 ARG 3 2HH1 ARG 3 -0.490 8.455 6.564 28 HH21 ARG 3 1HH2 ARG 3 -2.415 9.006 3.746 29 HH22 ARG 3 2HH2 ARG 3 -2.384 8.883 5.484 30 HA PRO 4 HA PRO 4 7.756 8.167 -0.877 31 HB2 PRO 4 1HB PRO 4 8.686 10.722 -0.616 32 HB3 PRO 4 2HB PRO 4 7.771 10.178 -2.060 33 HG2 PRO 4 1HG PRO 4 6.758 11.650 0.371 34 HG3 PRO 4 2HG PRO 4 6.505 12.031 -1.362 35 HD2 PRO 4 1HD PRO 4 4.654 10.669 0.101 36 HD3 PRO 4 2HD PRO 4 4.944 10.298 -1.629 37 H SER 5 H SER 5 6.333 9.774 1.902 38 HA SER 5 HA SER 5 8.728 9.688 3.551 39 HB2 SER 5 1HB SER 5 5.832 10.089 4.374 40 HB3 SER 5 2HB SER 5 7.287 10.591 5.266 41 HG SER 5 HG SER 5 7.674 12.139 3.752 42 H GLU 6 H GLU 6 8.538 7.202 2.645 43 HA GLU 6 HA GLU 6 7.009 5.456 4.445 44 HB2 GLU 6 1HB GLU 6 8.042 3.661 3.113 45 HB3 GLU 6 2HB GLU 6 7.309 4.894 2.083 46 HG2 GLU 6 1HG GLU 6 9.901 5.811 2.245 47 HG3 GLU 6 2HG GLU 6 10.134 4.062 2.305 48 H THR 7 H THR 7 9.851 7.212 4.658 49 HA THR 7 HA THR 7 10.754 5.628 6.981 50 HB THR 7 HB THR 7 13.174 5.982 6.219 51 HG1 THR 7 HG1 THR 7 13.523 6.578 4.083 52 HG21 THR 7 1HG2 THR 7 12.049 3.817 5.813 53 HG22 THR 7 2HG2 THR 7 13.311 4.189 4.626 54 HG23 THR 7 3HG2 THR 7 11.596 4.387 4.190 55 H LEU 8 H LEU 8 11.881 6.710 8.446 56 HA LEU 8 HA LEU 8 11.906 9.667 8.141 57 HB2 LEU 8 1HB LEU 8 10.875 8.023 10.440 58 HB3 LEU 8 2HB LEU 8 11.185 9.731 10.488 59 HG LEU 8 HG LEU 8 9.020 9.650 10.416 60 HD11 LEU 8 1HD1 LEU 8 9.139 9.709 7.470 61 HD12 LEU 8 2HD1 LEU 8 10.014 10.929 8.415 62 HD13 LEU 8 3HD1 LEU 8 8.257 10.758 8.606 63 HD21 LEU 8 1HD2 LEU 8 7.585 8.277 9.231 64 HD22 LEU 8 2HD2 LEU 8 8.731 7.404 10.257 65 HD23 LEU 8 3HD2 LEU 8 9.000 7.473 8.492 66 H CYS 9 H CYS 9 13.302 10.685 9.360 67 HA CYS 9 HA CYS 9 15.082 9.164 11.190 68 HB2 CYS 9 1HB CYS 9 16.015 10.882 8.863 69 HB3 CYS 9 2HB CYS 9 17.074 10.248 10.130 70 H GLY 10 H GLY 10 16.159 10.593 12.716 71 HA2 GLY 10 1HA GLY 10 16.251 12.448 14.086 72 HA3 GLY 10 2HA GLY 10 16.039 13.396 12.610 73 H GLY 11 H GLY 11 14.678 14.959 13.230 74 HA2 GLY 11 1HA GLY 11 12.508 14.575 15.037 75 HA3 GLY 11 2HA GLY 11 12.763 15.968 13.984 76 H GLU 12 H GLU 12 12.697 13.862 11.616 77 HA GLU 12 HA GLU 12 9.913 14.308 11.010 78 HB2 GLU 12 1HB GLU 12 11.744 12.199 9.822 79 HB3 GLU 12 2HB GLU 12 10.290 12.883 9.098 80 HG2 GLU 12 1HG GLU 12 11.416 15.069 8.917 81 HG3 GLU 12 2HG GLU 12 12.887 14.350 9.595 82 H LEU 13 H LEU 13 11.797 11.646 12.368 83 HA LEU 13 HA LEU 13 9.702 9.704 12.382 84 HB2 LEU 13 1HB LEU 13 12.159 9.282 12.569 85 HB3 LEU 13 2HB LEU 13 12.132 9.960 14.185 86 HG LEU 13 HG LEU 13 10.984 8.105 15.078 87 HD11 LEU 13 1HD1 LEU 13 10.116 6.231 13.728 88 HD12 LEU 13 2HD1 LEU 13 10.495 7.120 12.245 89 HD13 LEU 13 3HD1 LEU 13 9.261 7.734 13.369 90 HD21 LEU 13 1HD2 LEU 13 13.341 7.742 14.609 91 HD22 LEU 13 2HD2 LEU 13 12.967 7.208 12.948 92 HD23 LEU 13 3HD2 LEU 13 12.451 6.231 14.335 93 H VAL 14 H VAL 14 10.835 12.123 14.717 94 HA VAL 14 HA VAL 14 9.094 11.390 16.862 95 HB VAL 14 HB VAL 14 10.293 14.088 16.068 96 HG11 VAL 14 1HG1 VAL 14 8.842 13.324 18.629 97 HG12 VAL 14 2HG1 VAL 14 9.817 14.790 18.428 98 HG13 VAL 14 3HG1 VAL 14 8.350 14.563 17.460 99 HG21 VAL 14 1HG2 VAL 14 11.916 13.618 17.851 100 HG22 VAL 14 2HG2 VAL 14 11.101 12.076 18.202 101 HG23 VAL 14 3HG2 VAL 14 11.930 12.316 16.644 102 H ASP 15 H ASP 15 8.699 13.630 14.081 103 HA ASP 15 HA ASP 15 6.101 14.529 14.802 104 HB2 ASP 15 1HB ASP 15 7.614 15.501 13.038 105 HB3 ASP 15 2HB ASP 15 7.183 14.144 11.988 106 H THR 16 H THR 16 7.110 11.678 12.787 107 HA THR 16 HA THR 16 4.403 10.966 12.166 108 HB THR 16 HB THR 16 6.846 9.162 12.334 109 HG1 THR 16 HG1 THR 16 7.239 10.935 10.986 110 HG21 THR 16 1HG2 THR 16 5.655 7.921 10.557 111 HG22 THR 16 2HG2 THR 16 4.256 8.999 10.751 112 HG23 THR 16 3HG2 THR 16 4.754 7.928 12.084 113 H LEU 17 H LEU 17 6.614 9.997 14.815 114 HA LEU 17 HA LEU 17 4.824 8.099 16.009 115 HB2 LEU 17 1HB LEU 17 7.089 9.787 17.057 116 HB3 LEU 17 2HB LEU 17 6.135 8.772 18.141 117 HG LEU 17 HG LEU 17 7.262 7.531 15.657 118 HD11 LEU 17 1HD1 LEU 17 9.122 8.790 16.625 119 HD12 LEU 17 2HD1 LEU 17 9.347 7.038 16.715 120 HD13 LEU 17 3HD1 LEU 17 8.875 7.944 18.171 121 HD21 LEU 17 1HD2 LEU 17 5.730 6.279 17.213 122 HD22 LEU 17 2HD2 LEU 17 6.945 6.467 18.495 123 HD23 LEU 17 3HD2 LEU 17 7.325 5.529 17.033 124 H GLN 18 H GLN 18 5.097 11.647 16.409 125 HA GLN 18 HA GLN 18 3.106 11.809 18.497 126 HB2 GLN 18 1HB GLN 18 4.108 13.793 16.432 127 HB3 GLN 18 2HB GLN 18 2.895 14.206 17.647 128 HG2 GLN 18 1HG GLN 18 4.446 13.746 19.447 129 HG3 GLN 18 2HG GLN 18 5.666 13.181 18.304 130 HE21 GLN 18 1HE2 GLN 18 6.099 16.817 19.365 131 HE22 GLN 18 2HE2 GLN 18 5.618 15.419 20.294 132 H PHE 19 H PHE 19 2.919 11.525 14.969 133 HA PHE 19 HA PHE 19 0.138 12.337 14.878 134 HB2 PHE 19 1HB PHE 19 1.723 12.459 12.949 135 HB3 PHE 19 2HB PHE 19 1.716 10.695 12.869 136 HD1 PHE 19 HD1 PHE 19 -0.310 13.759 12.385 137 HD2 PHE 19 HD2 PHE 19 -0.181 9.479 11.961 138 HE1 PHE 19 HE1 PHE 19 -2.350 13.846 10.956 139 HE2 PHE 19 HE2 PHE 19 -2.220 9.552 10.531 140 HZ PHE 19 HZ PHE 19 -3.310 11.740 10.025 141 H VAL 20 H VAL 20 1.789 9.105 14.886 142 HA VAL 20 HA VAL 20 -0.769 7.759 14.648 143 HB VAL 20 HB VAL 20 0.401 5.673 14.885 144 HG11 VAL 20 1HG1 VAL 20 2.152 7.578 13.316 145 HG12 VAL 20 2HG1 VAL 20 1.949 5.828 13.057 146 HG13 VAL 20 3HG1 VAL 20 0.592 6.935 12.752 147 HG21 VAL 20 1HG2 VAL 20 2.765 5.547 15.364 148 HG22 VAL 20 2HG2 VAL 20 2.805 7.291 15.704 149 HG23 VAL 20 3HG2 VAL 20 1.858 6.187 16.720 150 H CYS 21 H CYS 21 1.249 8.748 17.368 151 HA CYS 21 HA CYS 21 -0.397 7.127 19.251 152 HB2 CYS 21 1HB CYS 21 1.989 8.911 19.833 153 HB3 CYS 21 2HB CYS 21 1.262 7.725 20.917 154 H GLY 22 H GLY 22 -0.214 10.329 18.018 155 HA2 GLY 22 1HA GLY 22 -1.311 12.259 18.649 156 HA3 GLY 22 2HA GLY 22 -2.215 11.313 19.851 157 H ASP 23 H ASP 23 -1.913 13.180 21.192 158 HA ASP 23 HA ASP 23 0.658 13.974 22.208 159 HB2 ASP 23 1HB ASP 23 -1.471 15.322 22.190 160 HB3 ASP 23 2HB ASP 23 -2.083 14.269 23.473 161 H ARG 24 H ARG 24 -0.731 11.007 22.548 162 HA ARG 24 HA ARG 24 -0.621 10.768 25.461 163 HB2 ARG 24 1HB ARG 24 -0.898 8.568 23.408 164 HB3 ARG 24 2HB ARG 24 -1.331 8.503 25.117 165 HG2 ARG 24 1HG ARG 24 -2.707 10.225 22.991 166 HG3 ARG 24 2HG ARG 24 -3.318 8.712 23.651 167 HD2 ARG 24 1HD ARG 24 -4.526 10.440 24.752 168 HD3 ARG 24 2HD ARG 24 -3.378 9.815 25.945 169 HE ARG 24 HE ARG 24 -2.043 11.962 24.856 170 HH11 ARG 24 1HH1 ARG 24 -5.238 11.661 26.321 171 HH12 ARG 24 2HH1 ARG 24 -5.217 13.299 26.914 172 HH21 ARG 24 1HH2 ARG 24 -2.077 14.052 25.676 173 HH22 ARG 24 2HH2 ARG 24 -3.469 14.607 26.557 174 H GLY 25 H GLY 25 1.753 10.705 23.094 175 HA2 GLY 25 1HA GLY 25 4.023 10.605 23.642 176 HA3 GLY 25 2HA GLY 25 3.629 9.793 25.158 177 H PHE 26 H PHE 26 5.787 8.966 23.836 178 HA PHE 26 HA PHE 26 5.126 6.233 23.027 179 HB2 PHE 26 1HB PHE 26 6.301 6.486 20.831 180 HB3 PHE 26 2HB PHE 26 4.771 7.357 20.919 181 HD1 PHE 26 HD1 PHE 26 8.452 7.743 20.864 182 HD2 PHE 26 HD2 PHE 26 4.652 9.755 20.851 183 HE1 PHE 26 HE1 PHE 26 9.588 9.872 20.245 184 HE2 PHE 26 HE2 PHE 26 5.778 11.883 20.233 185 HZ PHE 26 HZ PHE 26 8.253 11.942 19.940 186 H TYR 27 H TYR 27 7.140 5.072 22.403 187 HA TYR 27 HA TYR 27 9.481 6.004 24.045 188 HB2 TYR 27 1HB TYR 27 8.643 3.260 22.999 189 HB3 TYR 27 2HB TYR 27 10.110 3.591 23.917 190 HD1 TYR 27 HD1 TYR 27 6.380 3.256 24.149 191 HD2 TYR 27 HD2 TYR 27 10.047 3.928 26.340 192 HE1 TYR 27 HE1 TYR 27 5.231 2.732 26.289 193 HE2 TYR 27 HE2 TYR 27 8.847 3.441 28.469 194 HH TYR 27 HH TYR 27 5.394 2.573 28.553 195 H PHE 28 H PHE 28 11.648 5.642 22.973 196 HA PHE 28 HA PHE 28 11.372 5.609 19.985 197 HB2 PHE 28 1HB PHE 28 12.939 7.243 21.747 198 HB3 PHE 28 2HB PHE 28 14.039 6.146 20.950 199 HD1 PHE 28 HD1 PHE 28 11.105 8.334 20.051 200 HD2 PHE 28 HD2 PHE 28 14.967 6.810 18.915 201 HE1 PHE 28 HE1 PHE 28 11.050 9.740 17.996 202 HE2 PHE 28 HE2 PHE 28 14.928 8.232 16.868 203 HZ PHE 28 HZ PHE 28 12.969 9.703 16.407 204 H ASN 29 H ASN 29 12.986 4.428 22.864 205 HA ASN 29 HA ASN 29 13.859 1.989 21.423 206 HB2 ASN 29 1HB ASN 29 16.054 2.315 22.440 207 HB3 ASN 29 2HB ASN 29 15.651 3.652 21.387 208 HD21 ASN 29 1HD2 ASN 29 17.092 4.761 24.709 209 HD22 ASN 29 2HD2 ASN 29 17.562 3.490 23.608 210 H ARG 30 H ARG 30 11.807 2.756 23.473 211 HA ARG 30 HA ARG 30 10.938 1.879 25.438 212 HB2 ARG 30 1HB ARG 30 12.206 -0.634 24.322 213 HB3 ARG 30 2HB ARG 30 10.689 -0.468 25.221 214 HG2 ARG 30 1HG ARG 30 10.001 1.120 23.330 215 HG3 ARG 30 2HG ARG 30 11.358 0.420 22.437 216 HD2 ARG 30 1HD ARG 30 9.168 -1.281 23.657 217 HD3 ARG 30 2HD ARG 30 9.013 -0.539 22.054 218 HE ARG 30 HE ARG 30 11.442 -2.134 22.519 219 HH11 ARG 30 1HH1 ARG 30 8.201 -2.050 21.102 220 HH12 ARG 30 2HH1 ARG 30 8.521 -3.409 20.062 221 HH21 ARG 30 1HH2 ARG 30 11.770 -3.866 21.166 222 HH22 ARG 30 2HH2 ARG 30 10.506 -4.416 20.101 223 HA PRO 31 HA PRO 31 15.149 1.347 27.180 224 HB2 PRO 31 1HB PRO 31 15.593 3.619 28.652 225 HB3 PRO 31 2HB PRO 31 15.771 3.541 26.888 226 HG2 PRO 31 1HG PRO 31 13.424 4.537 28.432 227 HG3 PRO 31 2HG PRO 31 14.322 5.339 27.102 228 HD2 PRO 31 1HD PRO 31 12.040 3.935 26.652 229 HD3 PRO 31 2HD PRO 31 13.383 3.937 25.469 230 H ALA 32 H ALA 32 12.407 2.595 28.757 231 HA ALA 32 HA ALA 32 11.346 2.283 30.747 232 HB1 ALA 32 1HB ALA 32 12.877 -0.348 30.867 233 HB2 ALA 32 2HB ALA 32 11.380 0.046 31.743 234 HB3 ALA 32 3HB ALA 32 11.362 -0.088 29.969 235 H SER 33 H SER 33 14.005 3.529 30.689 236 HA SER 33 HA SER 33 14.282 3.872 33.585 237 HB2 SER 33 1HB SER 33 15.822 1.968 33.115 238 HB3 SER 33 2HB SER 33 16.634 2.947 31.874 239 HG SER 33 HG SER 33 17.387 2.850 34.262 240 H ARG 34 H ARG 34 15.577 5.850 33.979 241 HA ARG 34 HA ARG 34 15.615 7.591 31.550 242 HB2 ARG 34 1HB ARG 34 14.986 8.355 34.412 243 HB3 ARG 34 2HB ARG 34 15.078 9.479 33.056 244 HG2 ARG 34 1HG ARG 34 12.869 9.191 32.832 245 HG3 ARG 34 2HG ARG 34 13.244 7.599 32.149 246 HD2 ARG 34 1HD ARG 34 13.072 6.599 34.414 247 HD3 ARG 34 2HD ARG 34 12.700 8.199 35.089 248 HE ARG 34 HE ARG 34 10.847 7.686 33.016 249 HH11 ARG 34 1HH1 ARG 34 11.575 6.420 36.235 250 HH12 ARG 34 2HH1 ARG 34 9.933 5.901 36.500 251 HH21 ARG 34 1HH2 ARG 34 8.770 7.002 33.437 252 HH22 ARG 34 2HH2 ARG 34 8.381 6.225 34.947 253 H VAL 35 H VAL 35 17.680 5.940 33.101 254 HA VAL 35 HA VAL 35 19.546 7.897 34.144 255 HB VAL 35 HB VAL 35 21.161 6.034 34.239 256 HG11 VAL 35 1HG1 VAL 35 19.463 6.306 36.017 257 HG12 VAL 35 2HG1 VAL 35 18.377 5.202 35.145 258 HG13 VAL 35 3HG1 VAL 35 19.921 4.606 35.793 259 HG21 VAL 35 1HG2 VAL 35 19.024 4.412 32.770 260 HG22 VAL 35 2HG2 VAL 35 20.628 4.852 32.151 261 HG23 VAL 35 3HG2 VAL 35 20.484 3.742 33.523 262 H SER 36 H SER 36 18.742 6.894 31.011 263 HA SER 36 HA SER 36 19.665 7.242 28.931 264 HB2 SER 36 1HB SER 36 20.758 9.726 30.284 265 HB3 SER 36 2HB SER 36 20.405 9.506 28.554 266 HG SER 36 HG SER 36 18.653 9.810 30.733 267 H ARG 37 H ARG 37 21.245 5.377 29.983 268 HA ARG 37 HA ARG 37 23.975 6.108 30.367 269 HB2 ARG 37 1HB ARG 37 22.515 3.541 29.802 270 HB3 ARG 37 2HB ARG 37 24.275 3.561 29.710 271 HG2 ARG 37 1HG ARG 37 23.094 4.757 32.172 272 HG3 ARG 37 2HG ARG 37 22.913 3.005 31.968 273 HD2 ARG 37 1HD ARG 37 24.944 3.315 33.170 274 HD3 ARG 37 2HD ARG 37 25.406 2.890 31.511 275 HE ARG 37 HE ARG 37 25.256 5.750 31.871 276 HH11 ARG 37 1HH1 ARG 37 27.375 2.999 32.514 277 HH12 ARG 37 2HH1 ARG 37 28.806 3.994 32.543 278 HH21 ARG 37 1HH2 ARG 37 27.122 6.952 31.939 279 HH22 ARG 37 2HH2 ARG 37 28.661 6.189 32.225 280 H ARG 38 H ARG 38 22.228 6.001 27.466 281 HA ARG 38 HA ARG 38 22.803 6.158 25.253 282 HB2 ARG 38 1HB ARG 38 25.363 7.223 26.473 283 HB3 ARG 38 2HB ARG 38 24.961 7.333 24.757 284 HG2 ARG 38 1HG ARG 38 23.329 8.919 25.080 285 HG3 ARG 38 2HG ARG 38 22.963 8.376 26.722 286 HD2 ARG 38 1HD ARG 38 24.049 10.549 26.797 287 HD3 ARG 38 2HD ARG 38 25.087 9.314 27.533 288 HE ARG 38 HE ARG 38 25.812 9.528 24.810 289 HH11 ARG 38 1HH1 ARG 38 25.954 11.539 27.708 290 HH12 ARG 38 2HH1 ARG 38 27.369 12.395 27.158 291 HH21 ARG 38 1HH2 ARG 38 27.618 10.666 24.174 292 HH22 ARG 38 2HH2 ARG 38 28.285 11.913 25.190 293 H SER 39 H SER 39 23.364 3.638 26.648 294 HA SER 39 HA SER 39 25.657 2.459 25.306 295 HB2 SER 39 1HB SER 39 23.255 1.170 26.682 296 HB3 SER 39 2HB SER 39 24.801 0.380 26.302 297 HG SER 39 HG SER 39 25.801 1.887 27.734 298 HA PRO 40 HA PRO 40 23.385 1.642 21.614 299 HB2 PRO 40 1HB PRO 40 24.210 -0.862 20.825 300 HB3 PRO 40 2HB PRO 40 25.253 0.592 20.711 301 HG2 PRO 40 1HG PRO 40 25.179 -1.508 22.875 302 HG3 PRO 40 2HG PRO 40 26.593 -0.851 21.990 303 HD2 PRO 40 1HD PRO 40 25.908 0.068 24.439 304 HD3 PRO 40 2HD PRO 40 26.523 1.183 23.173 305 H GLN 41 H GLN 41 21.258 1.338 21.647 306 HA GLN 41 HA GLN 41 20.135 -1.254 22.551 307 HB2 GLN 41 1HB GLN 41 20.073 0.338 24.490 308 HB3 GLN 41 2HB GLN 41 19.143 1.467 23.495 309 HG2 GLN 41 1HG GLN 41 17.299 -0.126 23.339 310 HG3 GLN 41 2HG GLN 41 18.246 -1.344 24.207 311 HE21 GLN 41 1HE2 GLN 41 16.272 -0.197 26.924 312 HE22 GLN 41 2HE2 GLN 41 16.341 -1.357 25.626 313 H ARG 42 H ARG 42 18.704 -1.917 21.068 314 HA ARG 42 HA ARG 42 18.357 -0.314 18.715 315 HB2 ARG 42 1HB ARG 42 16.925 -2.895 19.441 316 HB3 ARG 42 2HB ARG 42 17.085 -2.179 17.828 317 HG2 ARG 42 1HG ARG 42 19.700 -2.345 18.488 318 HG3 ARG 42 2HG ARG 42 19.082 -3.698 19.453 319 HD2 ARG 42 1HD ARG 42 18.695 -3.276 16.479 320 HD3 ARG 42 2HD ARG 42 19.842 -4.396 17.204 321 HE ARG 42 HE ARG 42 17.623 -5.403 18.217 322 HH11 ARG 42 1HH1 ARG 42 18.035 -4.120 14.954 323 HH12 ARG 42 2HH1 ARG 42 16.843 -5.202 14.276 324 HH21 ARG 42 1HH2 ARG 42 16.124 -6.768 17.276 325 HH22 ARG 42 2HH2 ARG 42 15.778 -6.665 15.571 326 H GLY 43 H GLY 43 16.478 0.483 17.742 327 HA2 GLY 43 1HA GLY 43 14.027 0.619 19.343 328 HA3 GLY 43 2HA GLY 43 14.919 2.138 19.214 329 H ILE 44 H ILE 44 12.777 2.744 18.306 330 HA ILE 44 HA ILE 44 11.808 1.781 15.829 331 HB ILE 44 HB ILE 44 10.514 3.214 17.440 332 HG12 ILE 44 1HG1 ILE 44 9.575 4.836 15.697 333 HG13 ILE 44 2HG1 ILE 44 10.765 4.196 14.582 334 HG21 ILE 44 1HG2 ILE 44 10.837 5.571 17.658 335 HG22 ILE 44 2HG2 ILE 44 12.442 4.860 17.873 336 HG23 ILE 44 3HG2 ILE 44 12.018 5.622 16.337 337 HD11 ILE 44 1HD1 ILE 44 8.502 2.703 15.903 338 HD12 ILE 44 2HD1 ILE 44 8.699 3.090 14.186 339 HD13 ILE 44 3HD1 ILE 44 9.782 1.911 14.950 340 H VAL 45 H VAL 45 14.340 4.143 16.523 341 HA VAL 45 HA VAL 45 14.482 5.252 13.924 342 HB VAL 45 HB VAL 45 15.554 6.338 15.795 343 HG11 VAL 45 1HG1 VAL 45 17.608 5.456 16.840 344 HG12 VAL 45 2HG1 VAL 45 16.202 4.423 17.138 345 HG13 VAL 45 3HG1 VAL 45 17.421 3.946 15.925 346 HG21 VAL 45 1HG2 VAL 45 16.469 6.731 13.529 347 HG22 VAL 45 2HG2 VAL 45 17.707 6.905 14.795 348 HG23 VAL 45 3HG2 VAL 45 17.659 5.438 13.792 349 H GLU 46 H GLU 46 15.765 2.199 15.221 350 HA GLU 46 HA GLU 46 17.320 1.715 12.815 351 HB2 GLU 46 1HB GLU 46 16.383 -0.247 14.904 352 HB3 GLU 46 2HB GLU 46 17.624 -0.497 13.664 353 HG2 GLU 46 1HG GLU 46 18.832 1.512 14.722 354 HG3 GLU 46 2HG GLU 46 17.715 1.316 16.082 355 H GLU 47 H GLU 47 13.999 1.328 13.742 356 HA GLU 47 HA GLU 47 13.521 -0.717 11.681 357 HB2 GLU 47 1HB GLU 47 11.440 0.805 13.299 358 HB3 GLU 47 2HB GLU 47 11.251 -0.723 12.430 359 HG2 GLU 47 1HG GLU 47 12.823 -0.204 14.964 360 HG3 GLU 47 2HG GLU 47 11.363 -1.172 14.795 361 H CYS 48 H CYS 48 13.192 2.780 12.099 362 HA CYS 48 HA CYS 48 11.785 2.912 9.466 363 HB2 CYS 48 1HB CYS 48 11.811 4.862 11.777 364 HB3 CYS 48 2HB CYS 48 10.918 5.067 10.263 365 H CYS 49 H CYS 49 14.812 3.818 10.869 366 HA CYS 49 HA CYS 49 15.216 5.796 8.647 367 HB2 CYS 49 1HB CYS 49 15.543 6.652 10.986 368 HB3 CYS 49 2HB CYS 49 16.845 5.484 11.186 369 H PHE 50 H PHE 50 16.775 3.130 10.484 370 HA PHE 50 HA PHE 50 18.797 2.778 8.377 371 HB2 PHE 50 1HB PHE 50 18.129 1.173 10.869 372 HB3 PHE 50 2HB PHE 50 19.451 0.789 9.768 373 HD1 PHE 50 HD1 PHE 50 21.528 1.988 9.819 374 HD2 PHE 50 HD2 PHE 50 18.224 3.324 12.215 375 HE1 PHE 50 HE1 PHE 50 23.046 3.514 11.079 376 HE2 PHE 50 HE2 PHE 50 19.724 4.819 13.487 377 HZ PHE 50 HZ PHE 50 22.134 4.937 12.920 378 H ARG 51 H ARG 51 15.592 1.790 8.934 379 HA ARG 51 HA ARG 51 15.691 -0.113 6.668 380 HB2 ARG 51 1HB ARG 51 14.372 -0.721 9.357 381 HB3 ARG 51 2HB ARG 51 14.140 -1.669 7.889 382 HG2 ARG 51 1HG ARG 51 16.790 -1.311 9.298 383 HG3 ARG 51 2HG ARG 51 15.717 -2.698 9.512 384 HD2 ARG 51 1HD ARG 51 15.936 -3.265 7.133 385 HD3 ARG 51 2HD ARG 51 16.946 -1.829 6.867 386 HE ARG 51 HE ARG 51 18.081 -3.447 8.928 387 HH11 ARG 51 1HH1 ARG 51 17.729 -3.354 5.421 388 HH12 ARG 51 2HH1 ARG 51 19.178 -4.284 5.154 389 HH21 ARG 51 1HH2 ARG 51 19.922 -4.632 8.512 390 HH22 ARG 51 2HH2 ARG 51 20.394 -4.994 6.876 391 H SER 52 H SER 52 13.085 -0.660 6.448 392 HA SER 52 HA SER 52 11.751 2.009 6.569 393 HB2 SER 52 1HB SER 52 12.131 1.203 4.254 394 HB3 SER 52 2HB SER 52 11.265 -0.296 4.643 395 HG SER 52 HG SER 52 10.122 2.310 4.856 396 H CYS 53 H CYS 53 9.558 2.051 7.209 397 HA CYS 53 HA CYS 53 8.524 -0.420 8.479 398 HB2 CYS 53 1HB CYS 53 8.165 0.703 10.578 399 HB3 CYS 53 2HB CYS 53 9.875 0.852 10.170 400 H ASP 54 H ASP 54 6.276 -0.109 9.152 401 HA ASP 54 HA ASP 54 4.846 1.772 7.336 402 HB2 ASP 54 1HB ASP 54 4.461 -0.969 8.175 403 HB3 ASP 54 2HB ASP 54 3.079 0.003 8.703 404 H LEU 55 H LEU 55 2.873 2.807 8.328 405 HA LEU 55 HA LEU 55 3.502 4.179 10.755 406 HB2 LEU 55 1HB LEU 55 1.672 5.375 10.305 407 HB3 LEU 55 2HB LEU 55 1.624 4.435 8.808 408 HG LEU 55 HG LEU 55 -0.001 3.546 11.168 409 HD11 LEU 55 1HD1 LEU 55 -0.494 5.926 10.858 410 HD12 LEU 55 2HD1 LEU 55 -1.848 4.927 10.300 411 HD13 LEU 55 3HD1 LEU 55 -0.743 5.664 9.115 412 HD21 LEU 55 1HD2 LEU 55 -0.424 3.371 8.144 413 HD22 LEU 55 2HD2 LEU 55 -1.448 2.638 9.401 414 HD23 LEU 55 3HD2 LEU 55 0.206 2.057 9.152 415 H ALA 56 H ALA 56 1.933 1.174 10.075 416 HA ALA 56 HA ALA 56 0.655 0.845 12.613 417 HB1 ALA 56 1HB ALA 56 1.450 -1.221 10.538 418 HB2 ALA 56 2HB ALA 56 0.157 -1.354 11.762 419 HB3 ALA 56 3HB ALA 56 0.018 -0.169 10.427 420 H LEU 57 H LEU 57 3.799 -0.205 11.250 421 HA LEU 57 HA LEU 57 4.587 -1.786 13.544 422 HB2 LEU 57 1HB LEU 57 5.610 -1.917 11.270 423 HB3 LEU 57 2HB LEU 57 6.271 -0.306 11.476 424 HG LEU 57 HG LEU 57 7.037 -2.588 13.316 425 HD11 LEU 57 1HD1 LEU 57 8.333 -1.781 10.681 426 HD12 LEU 57 2HD1 LEU 57 7.415 -3.276 10.980 427 HD13 LEU 57 3HD1 LEU 57 8.951 -2.996 11.822 428 HD21 LEU 57 1HD2 LEU 57 9.187 -1.295 13.478 429 HD22 LEU 57 2HD2 LEU 57 7.795 -0.465 14.178 430 HD23 LEU 57 3HD2 LEU 57 8.406 0.030 12.588 431 H LEU 58 H LEU 58 5.004 1.575 12.457 432 HA LEU 58 HA LEU 58 6.661 2.441 14.530 433 HB2 LEU 58 1HB LEU 58 6.163 3.418 12.292 434 HB3 LEU 58 2HB LEU 58 4.604 3.940 12.899 435 HG LEU 58 HG LEU 58 6.982 4.822 14.389 436 HD11 LEU 58 1HD1 LEU 58 7.796 5.110 12.135 437 HD12 LEU 58 2HD1 LEU 58 7.310 6.700 12.748 438 HD13 LEU 58 3HD1 LEU 58 6.256 5.820 11.617 439 HD21 LEU 58 1HD2 LEU 58 4.343 6.000 13.502 440 HD22 LEU 58 2HD2 LEU 58 5.604 6.952 14.307 441 HD23 LEU 58 3HD2 LEU 58 4.874 5.575 15.143 442 H GLU 59 H GLU 59 3.144 2.264 14.309 443 HA GLU 59 HA GLU 59 2.518 3.713 16.667 444 HB2 GLU 59 1HB GLU 59 1.002 3.159 14.823 445 HB3 GLU 59 2HB GLU 59 1.044 1.453 15.279 446 HG2 GLU 59 1HG GLU 59 -0.058 1.938 17.371 447 HG3 GLU 59 2HG GLU 59 0.030 3.664 17.056 448 HE2 GLU 59 HE2 GLU 59 -3.229 2.592 16.183 449 H THR 60 H THR 60 3.831 0.473 16.352 450 HA THR 60 HA THR 60 2.786 -0.523 18.835 451 HB THR 60 HB THR 60 4.426 -2.279 18.696 452 HG1 THR 60 HG1 THR 60 5.647 -0.858 16.545 453 HG21 THR 60 1HG2 THR 60 2.509 -2.192 17.025 454 HG22 THR 60 2HG2 THR 60 3.917 -3.156 16.512 455 HG23 THR 60 3HG2 THR 60 3.661 -1.528 15.851 456 H TYR 61 H TYR 61 5.178 1.848 18.174 457 HA TYR 61 HA TYR 61 6.557 1.458 20.753 458 HB2 TYR 61 1HB TYR 61 6.910 3.240 18.362 459 HB3 TYR 61 2HB TYR 61 7.614 3.714 19.902 460 HD1 TYR 61 HD1 TYR 61 7.644 1.035 17.297 461 HD2 TYR 61 HD2 TYR 61 9.559 2.660 20.790 462 HE1 TYR 61 HE1 TYR 61 9.621 -0.435 16.883 463 HE2 TYR 61 HE2 TYR 61 11.529 1.182 20.420 464 HH TYR 61 HH TYR 61 11.664 -1.112 17.652 465 H CYS 62 H CYS 62 3.573 2.751 19.995 466 HA CYS 62 HA CYS 62 3.668 5.263 21.379 467 HB2 CYS 62 1HB CYS 62 1.372 3.306 21.022 468 HB3 CYS 62 2HB CYS 62 1.214 4.951 21.646 469 H ALA 63 H ALA 63 2.904 5.813 23.479 470 HA ALA 63 HA ALA 63 3.900 3.917 25.454 471 HB1 ALA 63 1HB ALA 63 2.702 6.697 25.746 472 HB2 ALA 63 2HB ALA 63 3.510 5.775 27.038 473 HB3 ALA 63 3HB ALA 63 4.435 6.299 25.609 474 H THR 64 H THR 64 0.908 4.317 24.001 475 HA THR 64 HA THR 64 -0.424 2.659 25.975 476 HB THR 64 HB THR 64 -0.674 5.129 26.769 477 HG1 THR 64 HG1 THR 64 -2.871 4.767 27.284 478 HG21 THR 64 1HG2 THR 64 -2.699 5.182 24.523 479 HG22 THR 64 2HG2 THR 64 -1.131 6.029 24.475 480 HG23 THR 64 3HG2 THR 64 -2.346 6.468 25.696 481 HA PRO 65 HA PRO 65 -2.078 1.497 22.012 482 HB2 PRO 65 1HB PRO 65 -4.389 0.211 22.626 483 HB3 PRO 65 2HB PRO 65 -2.796 -0.434 23.136 484 HG2 PRO 65 1HG PRO 65 -4.738 1.250 24.700 485 HG3 PRO 65 2HG PRO 65 -3.980 -0.311 25.157 486 HD2 PRO 65 1HD PRO 65 -2.962 2.064 25.969 487 HD3 PRO 65 2HD PRO 65 -1.892 0.693 25.554 488 H ALA 66 H ALA 66 -3.980 1.648 20.543 489 HA ALA 66 HA ALA 66 -4.987 4.330 20.449 490 HB1 ALA 66 1HB ALA 66 -6.191 3.534 18.448 491 HB2 ALA 66 2HB ALA 66 -4.505 2.950 18.440 492 HB3 ALA 66 3HB ALA 66 -5.837 1.850 18.891 493 H LYS 67 H LYS 67 -7.226 4.949 20.279 494 HA LYS 67 HA LYS 67 -9.137 3.210 21.785 495 HB2 LYS 67 1HB LYS 67 -8.411 5.154 23.160 496 HB3 LYS 67 2HB LYS 67 -8.900 6.249 21.860 497 HG2 LYS 67 1HG LYS 67 -11.231 5.550 22.123 498 HG3 LYS 67 2HG LYS 67 -10.768 4.412 23.399 499 HD2 LYS 67 1HD LYS 67 -9.949 6.255 24.785 500 HD3 LYS 67 2HD LYS 67 -10.315 7.424 23.503 501 HE2 LYS 67 1HE LYS 67 -12.501 5.648 24.600 502 HE3 LYS 67 2HE LYS 67 -11.998 7.097 25.493 503 HZ1 LYS 67 1HZ LYS 67 -12.551 8.439 23.601 504 HZ2 LYS 67 2HZ LYS 67 -13.856 7.483 23.929 505 HZ3 LYS 67 3HZ LYS 67 -12.879 7.124 22.659 506 H SER 68 H SER 68 -10.459 2.459 20.264 507 HA SER 68 HA SER 68 -11.105 4.142 17.894 508 HB2 SER 68 1HB SER 68 -10.244 1.794 17.619 509 HB3 SER 68 2HB SER 68 -11.715 1.207 18.419 510 HG SER 68 HG SER 68 -12.887 2.348 16.736 511 H GLU 69 H GLU 69 -12.242 4.679 20.550 512 HA GLU 69 HA GLU 69 -15.120 4.599 19.874 513 HB2 GLU 69 1HB GLU 69 -13.940 3.569 22.503 514 HB3 GLU 69 2HB GLU 69 -15.635 3.996 22.273 515 HG2 GLU 69 1HG GLU 69 -15.653 1.689 22.070 516 HG3 GLU 69 2HG GLU 69 -15.660 2.240 20.389 Start of MODEL 11 1 H1 ALA 1 1H ALA 1 6.693 18.121 -4.095 2 H2 ALA 1 2H ALA 1 8.283 17.693 -4.047 3 H3 ALA 1 3H ALA 1 7.668 18.432 -5.387 4 HA ALA 1 HA ALA 1 6.225 16.547 -5.816 5 HB1 ALA 1 1HB ALA 1 8.443 16.656 -6.947 6 HB2 ALA 1 2HB ALA 1 9.198 15.842 -5.551 7 HB3 ALA 1 3HB ALA 1 8.014 14.974 -6.554 8 H TYR 2 H TYR 2 5.253 14.690 -5.073 9 HA TYR 2 HA TYR 2 5.479 14.144 -2.240 10 HB2 TYR 2 1HB TYR 2 3.349 13.998 -3.426 11 HB3 TYR 2 2HB TYR 2 4.003 12.758 -4.506 12 HD1 TYR 2 HD1 TYR 2 3.231 13.430 -0.879 13 HD2 TYR 2 HD2 TYR 2 3.859 10.454 -3.932 14 HE1 TYR 2 HE1 TYR 2 2.549 11.636 0.714 15 HE2 TYR 2 HE2 TYR 2 3.171 8.676 -2.327 16 HH TYR 2 HH TYR 2 2.323 9.370 1.055 17 H ARG 3 H ARG 3 6.188 12.263 -1.213 18 HA ARG 3 HA ARG 3 7.553 10.180 -2.839 19 HB2 ARG 3 1HB ARG 3 8.651 11.515 -0.317 20 HB3 ARG 3 2HB ARG 3 9.297 10.035 -1.034 21 HG2 ARG 3 1HG ARG 3 9.882 11.272 -3.073 22 HG3 ARG 3 2HG ARG 3 9.263 12.764 -2.335 23 HD2 ARG 3 1HD ARG 3 10.883 12.451 -0.457 24 HD3 ARG 3 2HD ARG 3 11.564 11.060 -1.319 25 HE ARG 3 HE ARG 3 11.916 13.903 -1.936 26 HH11 ARG 3 1HH1 ARG 3 12.292 10.618 -3.191 27 HH12 ARG 3 2HH1 ARG 3 13.462 11.113 -4.383 28 HH21 ARG 3 1HH2 ARG 3 13.414 14.451 -3.479 29 HH22 ARG 3 2HH2 ARG 3 14.082 13.242 -4.542 30 HA PRO 4 HA PRO 4 4.877 7.978 -0.067 31 HB2 PRO 4 1HB PRO 4 6.096 5.534 0.169 32 HB3 PRO 4 2HB PRO 4 5.245 6.060 -1.319 33 HG2 PRO 4 1HG PRO 4 8.174 6.182 -0.695 34 HG3 PRO 4 2HG PRO 4 7.360 5.508 -2.139 35 HD2 PRO 4 1HD PRO 4 8.411 7.988 -2.150 36 HD3 PRO 4 2HD PRO 4 6.850 7.641 -2.975 37 H SER 5 H SER 5 8.290 8.322 0.617 38 HA SER 5 HA SER 5 9.476 8.607 2.533 39 HB2 SER 5 1HB SER 5 6.826 9.508 3.671 40 HB3 SER 5 2HB SER 5 8.450 10.006 4.191 41 HG SER 5 HG SER 5 7.019 10.634 1.835 42 H GLU 6 H GLU 6 9.069 6.066 2.234 43 HA GLU 6 HA GLU 6 7.677 4.767 4.440 44 HB2 GLU 6 1HB GLU 6 8.621 2.730 3.463 45 HB3 GLU 6 2HB GLU 6 7.848 3.731 2.238 46 HG2 GLU 6 1HG GLU 6 10.815 3.992 2.659 47 HG3 GLU 6 2HG GLU 6 10.188 2.584 1.795 48 H THR 7 H THR 7 10.529 6.462 4.263 49 HA THR 7 HA THR 7 11.592 5.057 6.660 50 HB THR 7 HB THR 7 13.863 5.942 5.958 51 HG1 THR 7 HG1 THR 7 13.938 6.268 3.584 52 HG21 THR 7 1HG2 THR 7 13.231 3.599 5.647 53 HG22 THR 7 2HG2 THR 7 14.292 4.170 4.344 54 HG23 THR 7 3HG2 THR 7 12.543 3.990 4.049 55 H LEU 8 H LEU 8 12.215 6.322 8.313 56 HA LEU 8 HA LEU 8 11.901 9.279 8.006 57 HB2 LEU 8 1HB LEU 8 10.801 7.581 10.226 58 HB3 LEU 8 2HB LEU 8 10.837 9.337 10.227 59 HG LEU 8 HG LEU 8 9.286 7.621 8.362 60 HD11 LEU 8 1HD1 LEU 8 7.339 8.323 9.553 61 HD12 LEU 8 2HD1 LEU 8 8.367 9.228 10.679 62 HD13 LEU 8 3HD1 LEU 8 8.477 7.454 10.594 63 HD21 LEU 8 1HD2 LEU 8 9.053 10.619 8.851 64 HD22 LEU 8 2HD2 LEU 8 8.196 9.675 7.612 65 HD23 LEU 8 3HD2 LEU 8 9.947 9.924 7.473 66 H CYS 9 H CYS 9 13.211 10.445 9.139 67 HA CYS 9 HA CYS 9 15.001 9.096 11.116 68 HB2 CYS 9 1HB CYS 9 15.875 10.776 8.750 69 HB3 CYS 9 2HB CYS 9 16.948 10.251 10.057 70 H GLY 10 H GLY 10 15.904 10.430 12.692 71 HA2 GLY 10 1HA GLY 10 16.010 12.266 14.087 72 HA3 GLY 10 2HA GLY 10 15.893 13.247 12.619 73 H GLY 11 H GLY 11 14.496 14.811 13.061 74 HA2 GLY 11 1HA GLY 11 12.288 14.527 14.842 75 HA3 GLY 11 2HA GLY 11 12.572 15.866 13.725 76 H GLU 12 H GLU 12 12.560 13.721 11.437 77 HA GLU 12 HA GLU 12 9.788 14.093 10.739 78 HB2 GLU 12 1HB GLU 12 11.811 12.070 9.695 79 HB3 GLU 12 2HB GLU 12 10.294 12.498 8.907 80 HG2 GLU 12 1HG GLU 12 11.077 14.642 8.309 81 HG3 GLU 12 2HG GLU 12 12.424 14.569 9.451 82 H LEU 13 H LEU 13 11.678 11.527 12.261 83 HA LEU 13 HA LEU 13 9.569 9.570 12.201 84 HB2 LEU 13 1HB LEU 13 12.014 9.108 12.358 85 HB3 LEU 13 2HB LEU 13 12.011 9.755 13.992 86 HG LEU 13 HG LEU 13 10.816 7.914 14.846 87 HD11 LEU 13 1HD1 LEU 13 10.210 7.069 11.974 88 HD12 LEU 13 2HD1 LEU 13 9.055 7.599 13.208 89 HD13 LEU 13 3HD1 LEU 13 9.916 6.072 13.408 90 HD21 LEU 13 1HD2 LEU 13 12.225 6.009 14.089 91 HD22 LEU 13 2HD2 LEU 13 13.160 7.493 14.366 92 HD23 LEU 13 3HD2 LEU 13 12.763 6.980 12.704 93 H VAL 14 H VAL 14 10.745 11.979 14.524 94 HA VAL 14 HA VAL 14 9.059 11.255 16.716 95 HB VAL 14 HB VAL 14 10.307 13.916 15.892 96 HG11 VAL 14 1HG1 VAL 14 8.401 14.495 17.279 97 HG12 VAL 14 2HG1 VAL 14 8.812 13.227 18.450 98 HG13 VAL 14 3HG1 VAL 14 9.867 14.643 18.266 99 HG21 VAL 14 1HG2 VAL 14 11.919 13.424 17.654 100 HG22 VAL 14 2HG2 VAL 14 11.039 11.936 18.074 101 HG23 VAL 14 3HG2 VAL 14 11.862 12.074 16.499 102 H ASP 15 H ASP 15 8.603 13.532 13.978 103 HA ASP 15 HA ASP 15 6.140 14.588 14.864 104 HB2 ASP 15 1HB ASP 15 7.666 15.347 12.951 105 HB3 ASP 15 2HB ASP 15 6.891 14.096 11.968 106 H THR 16 H THR 16 6.831 11.764 12.775 107 HA THR 16 HA THR 16 4.062 11.099 12.391 108 HB THR 16 HB THR 16 6.487 9.269 12.297 109 HG1 THR 16 HG1 THR 16 6.735 11.057 10.923 110 HG21 THR 16 1HG2 THR 16 5.109 8.050 10.633 111 HG22 THR 16 2HG2 THR 16 3.740 9.120 11.004 112 HG23 THR 16 3HG2 THR 16 4.388 8.029 12.255 113 H LEU 17 H LEU 17 6.453 10.106 14.877 114 HA LEU 17 HA LEU 17 4.759 8.153 16.130 115 HB2 LEU 17 1HB LEU 17 7.102 9.816 17.032 116 HB3 LEU 17 2HB LEU 17 6.220 8.810 18.181 117 HG LEU 17 HG LEU 17 7.185 7.569 15.627 118 HD11 LEU 17 1HD1 LEU 17 9.104 8.808 16.523 119 HD12 LEU 17 2HD1 LEU 17 9.317 7.055 16.566 120 HD13 LEU 17 3HD1 LEU 17 8.927 7.935 18.065 121 HD21 LEU 17 1HD2 LEU 17 7.307 5.555 16.987 122 HD22 LEU 17 2HD2 LEU 17 5.726 6.314 17.238 123 HD23 LEU 17 3HD2 LEU 17 6.995 6.486 18.471 124 H GLN 18 H GLN 18 5.054 11.688 16.514 125 HA GLN 18 HA GLN 18 3.231 11.863 18.748 126 HB2 GLN 18 1HB GLN 18 3.995 13.826 16.565 127 HB3 GLN 18 2HB GLN 18 2.935 14.245 17.914 128 HG2 GLN 18 1HG GLN 18 4.697 13.822 19.520 129 HG3 GLN 18 2HG GLN 18 5.772 13.224 18.260 130 HE21 GLN 18 1HE2 GLN 18 5.761 16.789 16.904 131 HE22 GLN 18 2HE2 GLN 18 4.927 15.365 16.341 132 H PHE 19 H PHE 19 2.790 11.822 15.180 133 HA PHE 19 HA PHE 19 -0.010 12.414 15.327 134 HB2 PHE 19 1HB PHE 19 1.342 12.702 13.298 135 HB3 PHE 19 2HB PHE 19 1.550 10.951 13.176 136 HD1 PHE 19 HD1 PHE 19 -1.018 13.668 13.117 137 HD2 PHE 19 HD2 PHE 19 -0.091 9.584 12.132 138 HE1 PHE 19 HE1 PHE 19 -3.148 13.500 11.831 139 HE2 PHE 19 HE2 PHE 19 -2.213 9.404 10.843 140 HZ PHE 19 HZ PHE 19 -3.751 11.362 10.696 141 H VAL 20 H VAL 20 1.659 9.193 14.989 142 HA VAL 20 HA VAL 20 -0.875 7.836 14.804 143 HB VAL 20 HB VAL 20 0.306 5.746 14.993 144 HG11 VAL 20 1HG1 VAL 20 2.006 7.713 13.427 145 HG12 VAL 20 2HG1 VAL 20 1.882 5.959 13.162 146 HG13 VAL 20 3HG1 VAL 20 0.475 7.006 12.867 147 HG21 VAL 20 1HG2 VAL 20 1.779 6.235 16.837 148 HG22 VAL 20 2HG2 VAL 20 2.682 5.624 15.461 149 HG23 VAL 20 3HG2 VAL 20 2.713 7.363 15.830 150 H CYS 21 H CYS 21 1.096 8.841 17.526 151 HA CYS 21 HA CYS 21 -0.494 7.120 19.364 152 HB2 CYS 21 1HB CYS 21 1.909 8.872 19.956 153 HB3 CYS 21 2HB CYS 21 1.146 7.728 21.063 154 H GLY 22 H GLY 22 -0.001 10.574 18.605 155 HA2 GLY 22 1HA GLY 22 -1.181 12.390 19.432 156 HA3 GLY 22 2HA GLY 22 -2.235 11.283 20.336 157 H ASP 23 H ASP 23 -1.889 13.110 21.939 158 HA ASP 23 HA ASP 23 0.617 13.610 23.117 159 HB2 ASP 23 1HB ASP 23 -2.120 13.844 24.394 160 HB3 ASP 23 2HB ASP 23 -0.665 14.757 24.829 161 H ARG 24 H ARG 24 -0.873 10.615 23.396 162 HA ARG 24 HA ARG 24 -0.453 10.255 26.263 163 HB2 ARG 24 1HB ARG 24 -1.125 8.018 25.941 164 HB3 ARG 24 2HB ARG 24 -2.132 8.996 24.873 165 HG2 ARG 24 1HG ARG 24 -0.490 8.385 23.011 166 HG3 ARG 24 2HG ARG 24 0.202 7.214 24.137 167 HD2 ARG 24 1HD ARG 24 -1.367 6.021 22.844 168 HD3 ARG 24 2HD ARG 24 -2.125 6.265 24.418 169 HE ARG 24 HE ARG 24 -3.372 8.169 23.344 170 HH11 ARG 24 1HH1 ARG 24 -2.164 5.553 21.301 171 HH12 ARG 24 2HH1 ARG 24 -3.321 5.880 20.036 172 HH21 ARG 24 1HH2 ARG 24 -4.827 8.514 21.691 173 HH22 ARG 24 2HH2 ARG 24 -4.805 7.509 20.266 174 H GLY 25 H GLY 25 1.621 10.502 23.629 175 HA2 GLY 25 1HA GLY 25 3.936 10.510 23.802 176 HA3 GLY 25 2HA GLY 25 3.831 9.662 25.345 177 H PHE 26 H PHE 26 5.821 8.941 23.838 178 HA PHE 26 HA PHE 26 5.178 6.204 23.008 179 HB2 PHE 26 1HB PHE 26 6.274 6.510 20.790 180 HB3 PHE 26 2HB PHE 26 4.750 7.383 20.946 181 HD1 PHE 26 HD1 PHE 26 4.646 9.792 20.931 182 HD2 PHE 26 HD2 PHE 26 8.428 7.756 20.773 183 HE1 PHE 26 HE1 PHE 26 5.765 11.925 20.309 184 HE2 PHE 26 HE2 PHE 26 9.558 9.888 20.151 185 HZ PHE 26 HZ PHE 26 8.229 11.973 19.918 186 H TYR 27 H TYR 27 7.133 4.999 22.431 187 HA TYR 27 HA TYR 27 9.485 5.873 24.063 188 HB2 TYR 27 1HB TYR 27 8.664 3.218 22.809 189 HB3 TYR 27 2HB TYR 27 10.175 3.477 23.675 190 HD1 TYR 27 HD1 TYR 27 6.505 2.977 24.041 191 HD2 TYR 27 HD2 TYR 27 10.198 3.741 26.141 192 HE1 TYR 27 HE1 TYR 27 5.460 2.265 26.180 193 HE2 TYR 27 HE2 TYR 27 9.110 3.050 28.277 194 HH TYR 27 HH TYR 27 5.697 2.023 28.422 195 H PHE 28 H PHE 28 11.669 5.571 22.976 196 HA PHE 28 HA PHE 28 11.434 5.654 19.981 197 HB2 PHE 28 1HB PHE 28 12.746 7.491 21.685 198 HB3 PHE 28 2HB PHE 28 14.018 6.455 21.084 199 HD1 PHE 28 HD1 PHE 28 11.072 8.407 19.806 200 HD2 PHE 28 HD2 PHE 28 15.025 6.890 19.034 201 HE1 PHE 28 HE1 PHE 28 11.125 9.647 17.645 202 HE2 PHE 28 HE2 PHE 28 15.091 8.147 16.883 203 HZ PHE 28 HZ PHE 28 13.136 9.517 16.182 204 H ASN 29 H ASN 29 13.344 4.765 22.798 205 HA ASN 29 HA ASN 29 14.294 2.305 21.415 206 HB2 ASN 29 1HB ASN 29 16.483 2.806 22.484 207 HB3 ASN 29 2HB ASN 29 16.043 3.959 21.240 208 HD21 ASN 29 1HD2 ASN 29 16.622 5.131 25.052 209 HD22 ASN 29 2HD2 ASN 29 16.775 3.458 24.562 210 H ARG 30 H ARG 30 12.183 2.893 23.364 211 HA ARG 30 HA ARG 30 11.366 2.069 25.362 212 HB2 ARG 30 1HB ARG 30 13.114 -0.307 24.729 213 HB3 ARG 30 2HB ARG 30 11.505 -0.263 25.455 214 HG2 ARG 30 1HG ARG 30 10.818 0.848 23.194 215 HG3 ARG 30 2HG ARG 30 12.332 0.133 22.602 216 HD2 ARG 30 1HD ARG 30 10.050 -1.361 23.945 217 HD3 ARG 30 2HD ARG 30 10.357 -1.308 22.197 218 HE ARG 30 HE ARG 30 12.705 -2.216 23.532 219 HH11 ARG 30 1HH1 ARG 30 9.460 -3.374 22.748 220 HH12 ARG 30 2HH1 ARG 30 9.947 -5.047 22.783 221 HH21 ARG 30 1HH2 ARG 30 13.259 -4.374 23.544 222 HH22 ARG 30 2HH2 ARG 30 12.064 -5.598 23.213 223 HA PRO 31 HA PRO 31 15.562 2.538 27.229 224 HB2 PRO 31 1HB PRO 31 15.407 4.938 28.612 225 HB3 PRO 31 2HB PRO 31 15.849 4.794 26.895 226 HG2 PRO 31 1HG PRO 31 13.155 5.413 28.072 227 HG3 PRO 31 2HG PRO 31 14.037 6.262 26.759 228 HD2 PRO 31 1HD PRO 31 12.119 4.443 26.206 229 HD3 PRO 31 2HD PRO 31 13.606 4.542 25.207 230 H ALA 32 H ALA 32 12.741 3.674 29.034 231 HA ALA 32 HA ALA 32 12.048 3.453 31.171 232 HB1 ALA 32 1HB ALA 32 11.659 1.147 30.313 233 HB2 ALA 32 2HB ALA 32 13.256 0.666 30.937 234 HB3 ALA 32 3HB ALA 32 11.976 1.170 32.062 235 H SER 33 H SER 33 14.816 4.439 30.840 236 HA SER 33 HA SER 33 15.546 4.572 33.644 237 HB2 SER 33 1HB SER 33 16.435 2.331 33.119 238 HB3 SER 33 2HB SER 33 17.320 2.991 31.734 239 HG SER 33 HG SER 33 18.433 2.702 33.887 240 H ARG 34 H ARG 34 17.605 5.872 33.874 241 HA ARG 34 HA ARG 34 17.613 8.071 31.913 242 HB2 ARG 34 1HB ARG 34 19.062 7.609 34.534 243 HB3 ARG 34 2HB ARG 34 19.249 9.074 33.575 244 HG2 ARG 34 1HG ARG 34 16.543 8.159 34.605 245 HG3 ARG 34 2HG ARG 34 17.635 9.171 35.560 246 HD2 ARG 34 1HD ARG 34 16.580 9.904 32.797 247 HD3 ARG 34 2HD ARG 34 15.925 10.495 34.335 248 HE ARG 34 HE ARG 34 18.718 11.031 34.261 249 HH11 ARG 34 1HH1 ARG 34 15.737 12.188 32.763 250 HH12 ARG 34 2HH1 ARG 34 16.392 13.774 32.469 251 HH21 ARG 34 1HH2 ARG 34 19.488 13.077 33.851 252 HH22 ARG 34 2HH2 ARG 34 18.475 14.271 33.086 253 H VAL 35 H VAL 35 18.586 5.616 30.837 254 HA VAL 35 HA VAL 35 21.466 5.501 30.929 255 HB VAL 35 HB VAL 35 21.214 4.011 28.918 256 HG11 VAL 35 1HG1 VAL 35 19.353 3.474 31.244 257 HG12 VAL 35 2HG1 VAL 35 19.950 2.253 30.100 258 HG13 VAL 35 3HG1 VAL 35 21.085 3.103 31.169 259 HG21 VAL 35 1HG2 VAL 35 18.215 4.553 29.246 260 HG22 VAL 35 2HG2 VAL 35 19.219 5.124 27.894 261 HG23 VAL 35 3HG2 VAL 35 18.968 3.394 28.141 262 H SER 36 H SER 36 19.375 7.636 29.361 263 HA SER 36 HA SER 36 19.663 9.274 27.764 264 HB2 SER 36 1HB SER 36 21.387 9.829 29.552 265 HB3 SER 36 2HB SER 36 22.609 9.116 28.480 266 HG SER 36 HG SER 36 22.014 10.633 26.900 267 H ARG 37 H ARG 37 19.812 6.561 26.738 268 HA ARG 37 HA ARG 37 20.396 5.325 24.955 269 HB2 ARG 37 1HB ARG 37 19.444 7.649 24.044 270 HB3 ARG 37 2HB ARG 37 21.049 7.719 23.304 271 HG2 ARG 37 1HG ARG 37 20.663 5.516 22.281 272 HG3 ARG 37 2HG ARG 37 19.072 5.430 23.058 273 HD2 ARG 37 1HD ARG 37 19.865 7.694 21.189 274 HD3 ARG 37 2HD ARG 37 19.151 6.185 20.591 275 HE ARG 37 HE ARG 37 17.368 6.922 22.517 276 HH11 ARG 37 1HH1 ARG 37 18.689 8.707 19.762 277 HH12 ARG 37 2HH1 ARG 37 17.251 9.678 19.596 278 HH21 ARG 37 1HH2 ARG 37 15.589 8.173 22.233 279 HH22 ARG 37 2HH2 ARG 37 15.522 9.381 20.973 280 H ARG 38 H ARG 38 22.644 6.068 26.785 281 HA ARG 38 HA ARG 38 24.982 6.086 24.991 282 HB2 ARG 38 1HB ARG 38 24.668 5.640 27.987 283 HB3 ARG 38 2HB ARG 38 26.224 5.630 27.150 284 HG2 ARG 38 1HG ARG 38 24.515 8.039 26.717 285 HG3 ARG 38 2HG ARG 38 25.174 7.826 28.344 286 HD2 ARG 38 1HD ARG 38 26.669 9.194 26.920 287 HD3 ARG 38 2HD ARG 38 27.446 7.703 27.468 288 HE ARG 38 HE ARG 38 27.555 6.929 25.286 289 HH11 ARG 38 1HH1 ARG 38 25.509 9.814 25.307 290 HH12 ARG 38 2HH1 ARG 38 25.481 9.909 23.566 291 HH21 ARG 38 1HH2 ARG 38 27.454 7.113 23.086 292 HH22 ARG 38 2HH2 ARG 38 26.562 8.407 22.334 293 H SER 39 H SER 39 23.042 3.808 26.854 294 HA SER 39 HA SER 39 24.684 1.506 26.303 295 HB2 SER 39 1HB SER 39 21.696 1.651 26.897 296 HB3 SER 39 2HB SER 39 22.767 0.255 27.153 297 HG SER 39 HG SER 39 23.845 1.443 28.749 298 HA PRO 40 HA PRO 40 23.311 0.961 22.107 299 HB2 PRO 40 1HB PRO 40 23.804 -1.671 21.662 300 HB3 PRO 40 2HB PRO 40 25.123 -0.516 22.018 301 HG2 PRO 40 1HG PRO 40 23.679 -2.353 23.916 302 HG3 PRO 40 2HG PRO 40 25.443 -2.182 23.635 303 HD2 PRO 40 1HD PRO 40 24.182 -0.892 25.666 304 HD3 PRO 40 2HD PRO 40 25.545 -0.135 24.768 305 H GLN 41 H GLN 41 21.071 1.344 23.436 306 HA GLN 41 HA GLN 41 19.251 -0.977 23.202 307 HB2 GLN 41 1HB GLN 41 18.841 1.941 23.929 308 HB3 GLN 41 2HB GLN 41 17.521 0.771 23.795 309 HG2 GLN 41 1HG GLN 41 18.561 -0.606 25.522 310 HG3 GLN 41 2HG GLN 41 19.841 0.605 25.710 311 HE21 GLN 41 1HE2 GLN 41 16.787 1.047 28.049 312 HE22 GLN 41 2HE2 GLN 41 17.551 -0.419 27.482 313 H ARG 42 H ARG 42 18.558 -1.542 21.253 314 HA ARG 42 HA ARG 42 18.479 0.363 19.060 315 HB2 ARG 42 1HB ARG 42 17.446 -1.356 17.778 316 HB3 ARG 42 2HB ARG 42 18.857 -2.001 18.601 317 HG2 ARG 42 1HG ARG 42 17.666 -3.549 19.694 318 HG3 ARG 42 2HG ARG 42 16.324 -2.441 20.039 319 HD2 ARG 42 1HD ARG 42 15.839 -4.405 18.452 320 HD3 ARG 42 2HD ARG 42 15.327 -2.784 17.941 321 HE ARG 42 HE ARG 42 17.832 -3.036 16.812 322 HH11 ARG 42 1HH1 ARG 42 14.867 -4.970 16.554 323 HH12 ARG 42 2HH1 ARG 42 15.203 -5.395 14.901 324 HH21 ARG 42 1HH2 ARG 42 18.164 -3.591 14.760 325 HH22 ARG 42 2HH2 ARG 42 17.062 -4.653 13.904 326 H GLY 43 H GLY 43 16.439 0.745 17.814 327 HA2 GLY 43 1HA GLY 43 13.975 0.694 19.370 328 HA3 GLY 43 2HA GLY 43 14.724 2.290 19.257 329 H ILE 44 H ILE 44 12.654 2.812 18.293 330 HA ILE 44 HA ILE 44 11.752 1.787 15.821 331 HB ILE 44 HB ILE 44 10.417 3.243 17.366 332 HG12 ILE 44 1HG1 ILE 44 9.483 4.803 15.584 333 HG13 ILE 44 2HG1 ILE 44 10.725 4.197 14.507 334 HG21 ILE 44 1HG2 ILE 44 10.726 5.614 17.541 335 HG22 ILE 44 2HG2 ILE 44 12.309 4.889 17.852 336 HG23 ILE 44 3HG2 ILE 44 11.973 5.623 16.277 337 HD11 ILE 44 1HD1 ILE 44 8.497 2.606 15.785 338 HD12 ILE 44 2HD1 ILE 44 8.678 3.028 14.076 339 HD13 ILE 44 3HD1 ILE 44 9.811 1.888 14.822 340 H VAL 45 H VAL 45 14.239 4.181 16.539 341 HA VAL 45 HA VAL 45 14.525 5.196 13.917 342 HB VAL 45 HB VAL 45 15.529 6.294 15.828 343 HG11 VAL 45 1HG1 VAL 45 17.397 3.908 16.025 344 HG12 VAL 45 2HG1 VAL 45 17.552 5.424 16.937 345 HG13 VAL 45 3HG1 VAL 45 16.142 4.384 17.204 346 HG21 VAL 45 1HG2 VAL 45 17.674 5.380 13.873 347 HG22 VAL 45 2HG2 VAL 45 16.498 6.683 13.593 348 HG23 VAL 45 3HG2 VAL 45 17.714 6.848 14.879 349 H GLU 46 H GLU 46 15.727 2.127 15.311 350 HA GLU 46 HA GLU 46 17.385 1.606 12.973 351 HB2 GLU 46 1HB GLU 46 16.298 -0.395 14.949 352 HB3 GLU 46 2HB GLU 46 17.607 -0.613 13.779 353 HG2 GLU 46 1HG GLU 46 18.727 1.361 15.051 354 HG3 GLU 46 2HG GLU 46 17.587 0.925 16.344 355 H GLU 47 H GLU 47 14.023 1.279 13.787 356 HA GLU 47 HA GLU 47 13.591 -0.769 11.720 357 HB2 GLU 47 1HB GLU 47 11.464 0.740 13.278 358 HB3 GLU 47 2HB GLU 47 11.325 -0.809 12.440 359 HG2 GLU 47 1HG GLU 47 12.852 -0.217 14.993 360 HG3 GLU 47 2HG GLU 47 11.388 -1.182 14.837 361 H CYS 48 H CYS 48 13.229 2.735 12.123 362 HA CYS 48 HA CYS 48 11.904 2.843 9.450 363 HB2 CYS 48 1HB CYS 48 11.958 4.861 11.699 364 HB3 CYS 48 2HB CYS 48 11.118 5.061 10.157 365 H CYS 49 H CYS 49 14.920 3.814 10.970 366 HA CYS 49 HA CYS 49 15.369 5.713 8.694 367 HB2 CYS 49 1HB CYS 49 15.624 6.558 11.058 368 HB3 CYS 49 2HB CYS 49 16.987 5.454 11.242 369 H PHE 50 H PHE 50 16.779 2.968 10.490 370 HA PHE 50 HA PHE 50 18.852 2.638 8.404 371 HB2 PHE 50 1HB PHE 50 18.245 1.077 10.937 372 HB3 PHE 50 2HB PHE 50 19.574 0.723 9.834 373 HD1 PHE 50 HD1 PHE 50 21.563 2.133 9.736 374 HD2 PHE 50 HD2 PHE 50 18.315 3.114 12.362 375 HE1 PHE 50 HE1 PHE 50 23.027 3.733 10.967 376 HE2 PHE 50 HE2 PHE 50 19.756 4.668 13.609 377 HZ PHE 50 HZ PHE 50 22.120 5.011 12.913 378 H ARG 51 H ARG 51 15.643 1.747 8.920 379 HA ARG 51 HA ARG 51 15.741 -0.253 6.743 380 HB2 ARG 51 1HB ARG 51 14.439 -0.740 9.460 381 HB3 ARG 51 2HB ARG 51 14.086 -1.694 8.023 382 HG2 ARG 51 1HG ARG 51 16.812 -1.484 9.307 383 HG3 ARG 51 2HG ARG 51 15.649 -2.784 9.605 384 HD2 ARG 51 1HD ARG 51 15.696 -3.399 7.226 385 HD3 ARG 51 2HD ARG 51 16.835 -2.076 6.897 386 HE ARG 51 HE ARG 51 17.929 -3.705 8.935 387 HH11 ARG 51 1HH1 ARG 51 17.249 -3.882 5.481 388 HH12 ARG 51 2HH1 ARG 51 18.541 -5.011 5.185 389 HH21 ARG 51 1HH2 ARG 51 19.564 -5.148 8.485 390 HH22 ARG 51 2HH2 ARG 51 19.827 -5.715 6.859 391 H SER 52 H SER 52 13.239 -0.714 6.319 392 HA SER 52 HA SER 52 11.889 1.949 6.250 393 HB2 SER 52 1HB SER 52 12.204 0.829 4.078 394 HB3 SER 52 2HB SER 52 11.415 -0.635 4.702 395 HG SER 52 HG SER 52 10.061 0.851 3.451 396 H CYS 53 H CYS 53 9.651 2.087 6.936 397 HA CYS 53 HA CYS 53 8.573 -0.282 8.356 398 HB2 CYS 53 1HB CYS 53 8.303 0.817 10.446 399 HB3 CYS 53 2HB CYS 53 9.996 0.987 9.989 400 H ASP 54 H ASP 54 6.382 -0.020 9.046 401 HA ASP 54 HA ASP 54 4.817 1.837 7.321 402 HB2 ASP 54 1HB ASP 54 4.043 -0.535 9.071 403 HB3 ASP 54 2HB ASP 54 2.893 0.443 8.144 404 H LEU 55 H LEU 55 3.003 3.012 8.356 405 HA LEU 55 HA LEU 55 3.617 4.309 10.827 406 HB2 LEU 55 1HB LEU 55 1.703 5.473 10.510 407 HB3 LEU 55 2HB LEU 55 1.867 4.779 8.895 408 HG LEU 55 HG LEU 55 0.029 3.535 10.918 409 HD11 LEU 55 1HD1 LEU 55 -0.553 5.787 8.956 410 HD12 LEU 55 2HD1 LEU 55 -0.556 5.903 10.732 411 HD13 LEU 55 3HD1 LEU 55 -1.765 4.898 9.911 412 HD21 LEU 55 1HD2 LEU 55 -1.129 2.731 8.895 413 HD22 LEU 55 2HD2 LEU 55 0.563 2.216 8.855 414 HD23 LEU 55 3HD2 LEU 55 0.035 3.587 7.858 415 H ALA 56 H ALA 56 2.092 1.330 10.008 416 HA ALA 56 HA ALA 56 0.709 0.896 12.478 417 HB1 ALA 56 1HB ALA 56 0.274 -1.268 11.516 418 HB2 ALA 56 2HB ALA 56 0.182 -0.029 10.226 419 HB3 ALA 56 3HB ALA 56 1.619 -1.072 10.357 420 H LEU 57 H LEU 57 3.870 -0.163 11.150 421 HA LEU 57 HA LEU 57 4.655 -1.743 13.434 422 HB2 LEU 57 1HB LEU 57 5.697 -1.818 11.167 423 HB3 LEU 57 2HB LEU 57 6.331 -0.203 11.404 424 HG LEU 57 HG LEU 57 7.141 -2.505 13.193 425 HD11 LEU 57 1HD1 LEU 57 8.426 -1.614 10.582 426 HD12 LEU 57 2HD1 LEU 57 7.535 -3.132 10.840 427 HD13 LEU 57 3HD1 LEU 57 9.064 -2.844 11.696 428 HD21 LEU 57 1HD2 LEU 57 7.832 -0.362 14.086 429 HD22 LEU 57 2HD2 LEU 57 8.477 0.140 12.509 430 HD23 LEU 57 3HD2 LEU 57 9.244 -1.181 13.418 431 H LEU 58 H LEU 58 5.034 1.635 12.413 432 HA LEU 58 HA LEU 58 6.640 2.525 14.511 433 HB2 LEU 58 1HB LEU 58 6.148 3.502 12.292 434 HB3 LEU 58 2HB LEU 58 4.565 3.962 12.873 435 HG LEU 58 HG LEU 58 6.928 4.945 14.334 436 HD11 LEU 58 1HD1 LEU 58 7.043 6.856 12.692 437 HD12 LEU 58 2HD1 LEU 58 5.987 5.913 11.617 438 HD13 LEU 58 3HD1 LEU 58 7.599 5.299 12.039 439 HD21 LEU 58 1HD2 LEU 58 5.442 6.994 14.364 440 HD22 LEU 58 2HD2 LEU 58 4.811 5.567 15.199 441 HD23 LEU 58 3HD2 LEU 58 4.198 5.999 13.588 442 H GLU 59 H GLU 59 3.133 2.296 14.277 443 HA GLU 59 HA GLU 59 2.453 3.731 16.617 444 HB2 GLU 59 1HB GLU 59 0.952 2.969 14.778 445 HB3 GLU 59 2HB GLU 59 1.048 1.323 15.411 446 HG2 GLU 59 1HG GLU 59 0.218 3.348 17.395 447 HG3 GLU 59 2HG GLU 59 -0.870 3.157 16.020 448 HE2 GLU 59 HE2 GLU 59 0.658 1.588 18.536 449 H THR 60 H THR 60 3.803 0.488 16.323 450 HA THR 60 HA THR 60 2.788 -0.494 18.813 451 HB THR 60 HB THR 60 4.424 -2.256 18.643 452 HG1 THR 60 HG1 THR 60 5.640 -0.844 16.488 453 HG21 THR 60 1HG2 THR 60 3.895 -3.108 16.448 454 HG22 THR 60 2HG2 THR 60 3.653 -1.472 15.800 455 HG23 THR 60 3HG2 THR 60 2.493 -2.137 16.969 456 H TYR 61 H TYR 61 5.195 1.868 18.147 457 HA TYR 61 HA TYR 61 6.566 1.480 20.722 458 HB2 TYR 61 1HB TYR 61 6.887 3.292 18.357 459 HB3 TYR 61 2HB TYR 61 7.591 3.768 19.901 460 HD1 TYR 61 HD1 TYR 61 9.560 2.737 20.764 461 HD2 TYR 61 HD2 TYR 61 7.631 1.084 17.291 462 HE1 TYR 61 HE1 TYR 61 11.523 1.249 20.405 463 HE2 TYR 61 HE2 TYR 61 9.603 -0.391 16.885 464 HH TYR 61 HH TYR 61 11.613 -1.101 17.674 465 H CYS 62 H CYS 62 3.548 2.739 20.047 466 HA CYS 62 HA CYS 62 3.619 5.219 21.489 467 HB2 CYS 62 1HB CYS 62 1.375 3.186 21.230 468 HB3 CYS 62 2HB CYS 62 1.199 4.803 21.918 469 H ALA 63 H ALA 63 3.147 5.705 23.665 470 HA ALA 63 HA ALA 63 4.478 3.866 25.409 471 HB1 ALA 63 1HB ALA 63 4.063 5.583 27.135 472 HB2 ALA 63 2HB ALA 63 4.744 6.255 25.636 473 HB3 ALA 63 3HB ALA 63 3.009 6.452 25.993 474 H THR 64 H THR 64 1.122 4.317 24.681 475 HA THR 64 HA THR 64 0.395 2.122 26.428 476 HB THR 64 HB THR 64 0.359 4.271 27.900 477 HG1 THR 64 HG1 THR 64 -0.741 2.613 28.716 478 HG21 THR 64 1HG2 THR 64 -2.172 4.764 26.325 479 HG22 THR 64 2HG2 THR 64 -0.677 5.730 26.196 480 HG23 THR 64 3HG2 THR 64 -1.576 5.687 27.725 481 HA PRO 65 HA PRO 65 -2.217 1.817 22.872 482 HB2 PRO 65 1HB PRO 65 -4.296 0.269 23.693 483 HB3 PRO 65 2HB PRO 65 -2.619 -0.363 23.619 484 HG2 PRO 65 1HG PRO 65 -4.107 0.760 25.981 485 HG3 PRO 65 2HG PRO 65 -3.251 -0.811 25.835 486 HD2 PRO 65 1HD PRO 65 -2.066 1.355 26.933 487 HD3 PRO 65 2HD PRO 65 -1.136 0.211 25.924 488 H ALA 66 H ALA 66 -4.438 2.193 21.973 489 HA ALA 66 HA ALA 66 -5.594 4.638 23.126 490 HB1 ALA 66 1HB ALA 66 -5.217 4.400 20.660 491 HB2 ALA 66 2HB ALA 66 -6.364 3.041 20.631 492 HB3 ALA 66 3HB ALA 66 -6.929 4.676 21.050 493 H LYS 67 H LYS 67 -7.691 4.811 23.928 494 HA LYS 67 HA LYS 67 -8.962 2.334 24.888 495 HB2 LYS 67 1HB LYS 67 -10.501 3.872 26.056 496 HB3 LYS 67 2HB LYS 67 -8.807 4.185 26.435 497 HG2 LYS 67 1HG LYS 67 -8.793 6.176 24.998 498 HG3 LYS 67 2HG LYS 67 -10.448 5.833 24.465 499 HD2 LYS 67 1HD LYS 67 -11.155 5.957 26.898 500 HD3 LYS 67 2HD LYS 67 -9.539 6.597 27.257 501 HE2 LYS 67 1HE LYS 67 -11.547 7.811 25.307 502 HE3 LYS 67 2HE LYS 67 -11.261 8.376 26.962 503 HZ1 LYS 67 1HZ LYS 67 -9.261 8.385 24.785 504 HZ2 LYS 67 2HZ LYS 67 -8.983 8.895 26.328 505 HZ3 LYS 67 3HZ LYS 67 -10.053 9.705 25.368 506 H SER 68 H SER 68 -8.992 2.248 22.188 507 HA SER 68 HA SER 68 -11.461 3.459 21.139 508 HB2 SER 68 1HB SER 68 -9.353 3.331 19.811 509 HB3 SER 68 2HB SER 68 -9.482 1.561 19.817 510 HG SER 68 HG SER 68 -11.457 1.762 18.727 511 H GLU 69 H GLU 69 -12.632 2.125 22.942 512 HA GLU 69 HA GLU 69 -13.933 -0.121 21.585 513 HB2 GLU 69 1HB GLU 69 -13.626 -1.707 23.393 514 HB3 GLU 69 2HB GLU 69 -12.041 -1.240 22.765 515 HG2 GLU 69 1HG GLU 69 -11.774 0.331 24.675 516 HG3 GLU 69 2HG GLU 69 -13.336 -0.210 25.309 Start of MODEL 12 1 H1 ALA 1 1H ALA 1 10.669 18.604 -5.129 2 H2 ALA 1 2H ALA 1 11.654 17.359 -5.569 3 H3 ALA 1 3H ALA 1 11.151 18.452 -6.700 4 HA ALA 1 HA ALA 1 8.863 17.746 -6.433 5 HB1 ALA 1 1HB ALA 1 10.808 15.455 -7.039 6 HB2 ALA 1 2HB ALA 1 9.098 15.522 -7.522 7 HB3 ALA 1 3HB ALA 1 10.257 16.682 -8.210 8 H TYR 2 H TYR 2 7.392 16.106 -5.554 9 HA TYR 2 HA TYR 2 7.845 15.679 -2.739 10 HB2 TYR 2 1HB TYR 2 5.622 16.061 -3.817 11 HB3 TYR 2 2HB TYR 2 5.759 14.484 -4.606 12 HD1 TYR 2 HD1 TYR 2 5.687 16.113 -1.209 13 HD2 TYR 2 HD2 TYR 2 5.003 12.521 -3.490 14 HE1 TYR 2 HE1 TYR 2 4.709 15.012 0.803 15 HE2 TYR 2 HE2 TYR 2 4.019 11.438 -1.467 16 HH TYR 2 HH TYR 2 3.800 13.093 1.677 17 H ARG 3 H ARG 3 8.134 13.722 -1.618 18 HA ARG 3 HA ARG 3 8.742 11.278 -3.204 19 HB2 ARG 3 1HB ARG 3 10.462 12.639 -1.110 20 HB3 ARG 3 2HB ARG 3 10.397 10.881 -1.169 21 HG2 ARG 3 1HG ARG 3 10.913 11.263 -3.738 22 HG3 ARG 3 2HG ARG 3 11.574 12.795 -3.134 23 HD2 ARG 3 1HD ARG 3 13.382 11.189 -3.134 24 HD3 ARG 3 2HD ARG 3 12.910 11.438 -1.446 25 HE ARG 3 HE ARG 3 12.118 9.234 -1.324 26 HH11 ARG 3 1HH1 ARG 3 12.937 9.951 -4.693 27 HH12 ARG 3 2HH1 ARG 3 12.786 8.280 -5.167 28 HH21 ARG 3 1HH2 ARG 3 11.911 7.139 -2.020 29 HH22 ARG 3 2HH2 ARG 3 12.231 6.735 -3.686 30 HA PRO 4 HA PRO 4 5.912 9.763 -0.189 31 HB2 PRO 4 1HB PRO 4 6.626 7.153 0.134 32 HB3 PRO 4 2HB PRO 4 5.935 7.776 -1.392 33 HG2 PRO 4 1HG PRO 4 8.822 7.374 -0.688 34 HG3 PRO 4 2HG PRO 4 7.919 6.762 -2.111 35 HD2 PRO 4 1HD PRO 4 9.379 9.020 -2.265 36 HD3 PRO 4 2HD PRO 4 7.784 8.899 -3.087 37 H SER 5 H SER 5 9.307 9.632 0.458 38 HA SER 5 HA SER 5 10.578 9.626 2.369 39 HB2 SER 5 1HB SER 5 8.998 11.558 2.906 40 HB3 SER 5 2HB SER 5 8.100 10.410 3.918 41 HG SER 5 HG SER 5 10.059 10.029 5.064 42 H GLU 6 H GLU 6 10.248 7.304 1.674 43 HA GLU 6 HA GLU 6 8.609 5.523 3.212 44 HB2 GLU 6 1HB GLU 6 10.140 3.790 2.191 45 HB3 GLU 6 2HB GLU 6 9.320 4.854 1.044 46 HG2 GLU 6 1HG GLU 6 12.045 5.693 1.945 47 HG3 GLU 6 2HG GLU 6 11.942 4.277 0.894 48 H THR 7 H THR 7 11.372 7.235 4.076 49 HA THR 7 HA THR 7 11.791 5.445 6.410 50 HB THR 7 HB THR 7 14.225 6.034 6.332 51 HG1 THR 7 HG1 THR 7 14.984 6.877 4.308 52 HG21 THR 7 1HG2 THR 7 13.374 3.928 5.352 53 HG22 THR 7 2HG2 THR 7 14.838 4.527 4.543 54 HG23 THR 7 3HG2 THR 7 13.244 4.744 3.768 55 H LEU 8 H LEU 8 12.477 6.530 8.246 56 HA LEU 8 HA LEU 8 12.051 9.497 8.198 57 HB2 LEU 8 1HB LEU 8 11.039 7.559 10.253 58 HB3 LEU 8 2HB LEU 8 10.908 9.304 10.344 59 HG LEU 8 HG LEU 8 9.572 7.551 8.389 60 HD11 LEU 8 1HD1 LEU 8 7.518 8.075 9.524 61 HD12 LEU 8 2HD1 LEU 8 8.466 8.921 10.761 62 HD13 LEU 8 3HD1 LEU 8 8.669 7.170 10.520 63 HD21 LEU 8 1HD2 LEU 8 10.045 9.907 7.577 64 HD22 LEU 8 2HD2 LEU 8 9.089 10.492 8.959 65 HD23 LEU 8 3HD2 LEU 8 8.315 9.529 7.680 66 H CYS 9 H CYS 9 13.172 10.619 9.634 67 HA CYS 9 HA CYS 9 14.766 9.254 11.687 68 HB2 CYS 9 1HB CYS 9 15.914 9.431 9.192 69 HB3 CYS 9 2HB CYS 9 16.489 10.921 9.951 70 H GLY 10 H GLY 10 15.863 10.793 13.107 71 HA2 GLY 10 1HA GLY 10 15.865 12.748 14.336 72 HA3 GLY 10 2HA GLY 10 15.774 13.576 12.774 73 H GLY 11 H GLY 11 14.345 15.147 13.041 74 HA2 GLY 11 1HA GLY 11 12.080 14.991 14.751 75 HA3 GLY 11 2HA GLY 11 12.366 16.207 13.502 76 H GLU 12 H GLU 12 12.448 13.983 11.363 77 HA GLU 12 HA GLU 12 9.643 14.127 10.720 78 HB2 GLU 12 1HB GLU 12 11.861 12.343 9.640 79 HB3 GLU 12 2HB GLU 12 10.237 12.417 8.967 80 HG2 GLU 12 1HG GLU 12 12.027 14.851 9.156 81 HG3 GLU 12 2HG GLU 12 12.012 13.756 7.766 82 H LEU 13 H LEU 13 11.724 11.625 12.180 83 HA LEU 13 HA LEU 13 9.662 9.619 12.173 84 HB2 LEU 13 1HB LEU 13 12.106 9.170 12.358 85 HB3 LEU 13 2HB LEU 13 12.101 9.858 13.974 86 HG LEU 13 HG LEU 13 10.821 8.047 14.846 87 HD11 LEU 13 1HD1 LEU 13 10.024 6.138 13.444 88 HD12 LEU 13 2HD1 LEU 13 10.423 7.050 11.976 89 HD13 LEU 13 3HD1 LEU 13 9.177 7.644 13.085 90 HD21 LEU 13 1HD2 LEU 13 12.892 7.009 12.876 91 HD22 LEU 13 2HD2 LEU 13 12.289 6.139 14.306 92 HD23 LEU 13 3HD2 LEU 13 13.210 7.643 14.511 93 H VAL 14 H VAL 14 10.831 12.018 14.539 94 HA VAL 14 HA VAL 14 9.109 11.273 16.688 95 HB VAL 14 HB VAL 14 10.427 13.911 15.915 96 HG11 VAL 14 1HG1 VAL 14 9.845 14.713 18.242 97 HG12 VAL 14 2HG1 VAL 14 8.452 14.601 17.154 98 HG13 VAL 14 3HG1 VAL 14 8.724 13.344 18.377 99 HG21 VAL 14 1HG2 VAL 14 10.921 11.949 18.191 100 HG22 VAL 14 2HG2 VAL 14 11.880 12.049 16.689 101 HG23 VAL 14 3HG2 VAL 14 11.877 13.409 17.832 102 H ASP 15 H ASP 15 8.606 13.601 13.970 103 HA ASP 15 HA ASP 15 6.076 14.451 14.966 104 HB2 ASP 15 1HB ASP 15 7.466 15.625 13.230 105 HB3 ASP 15 2HB ASP 15 6.951 14.391 12.067 106 H THR 16 H THR 16 6.973 11.731 12.842 107 HA THR 16 HA THR 16 4.237 11.074 12.209 108 HB THR 16 HB THR 16 6.658 9.237 12.318 109 HG1 THR 16 HG1 THR 16 7.070 10.985 10.955 110 HG21 THR 16 1HG2 THR 16 5.408 8.019 10.553 111 HG22 THR 16 2HG2 THR 16 4.026 9.106 10.798 112 HG23 THR 16 3HG2 THR 16 4.553 8.019 12.106 113 H LEU 17 H LEU 17 6.478 10.090 14.834 114 HA LEU 17 HA LEU 17 4.679 8.181 16.018 115 HB2 LEU 17 1HB LEU 17 7.019 9.791 17.028 116 HB3 LEU 17 2HB LEU 17 6.084 8.755 18.101 117 HG LEU 17 HG LEU 17 7.100 7.552 15.562 118 HD11 LEU 17 1HD1 LEU 17 9.239 7.023 16.529 119 HD12 LEU 17 2HD1 LEU 17 8.844 7.948 18.000 120 HD13 LEU 17 3HD1 LEU 17 9.033 8.777 16.436 121 HD21 LEU 17 1HD2 LEU 17 5.642 6.295 17.173 122 HD22 LEU 17 2HD2 LEU 17 6.906 6.484 18.411 123 HD23 LEU 17 3HD2 LEU 17 7.231 5.544 16.937 124 H GLN 18 H GLN 18 5.070 11.699 16.377 125 HA GLN 18 HA GLN 18 3.078 11.994 18.460 126 HB2 GLN 18 1HB GLN 18 4.162 13.902 16.360 127 HB3 GLN 18 2HB GLN 18 3.021 14.384 17.615 128 HG2 GLN 18 1HG GLN 18 4.608 13.926 19.352 129 HG3 GLN 18 2HG GLN 18 5.730 13.181 18.215 130 HE21 GLN 18 1HE2 GLN 18 6.316 16.926 19.030 131 HE22 GLN 18 2HE2 GLN 18 5.581 15.714 20.052 132 H PHE 19 H PHE 19 2.884 11.528 14.966 133 HA PHE 19 HA PHE 19 0.174 12.584 14.802 134 HB2 PHE 19 1HB PHE 19 1.761 12.592 12.892 135 HB3 PHE 19 2HB PHE 19 1.704 10.828 12.856 136 HD1 PHE 19 HD1 PHE 19 -0.261 13.925 12.298 137 HD2 PHE 19 HD2 PHE 19 -0.161 9.642 11.892 138 HE1 PHE 19 HE1 PHE 19 -2.276 14.022 10.837 139 HE2 PHE 19 HE2 PHE 19 -2.170 9.727 10.422 140 HZ PHE 19 HZ PHE 19 -3.235 11.921 9.894 141 H VAL 20 H VAL 20 1.609 9.264 14.807 142 HA VAL 20 HA VAL 20 -0.943 8.026 14.423 143 HB VAL 20 HB VAL 20 0.152 5.889 14.833 144 HG11 VAL 20 1HG1 VAL 20 1.868 5.959 13.187 145 HG12 VAL 20 2HG1 VAL 20 0.605 7.124 12.724 146 HG13 VAL 20 3HG1 VAL 20 2.118 7.699 13.446 147 HG21 VAL 20 1HG2 VAL 20 1.425 6.503 16.845 148 HG22 VAL 20 2HG2 VAL 20 2.428 5.709 15.637 149 HG23 VAL 20 3HG2 VAL 20 2.525 7.473 15.848 150 H CYS 21 H CYS 21 0.667 9.085 17.315 151 HA CYS 21 HA CYS 21 -1.573 7.891 18.920 152 HB2 CYS 21 1HB CYS 21 1.391 7.905 19.466 153 HB3 CYS 21 2HB CYS 21 0.213 7.697 20.772 154 H GLY 22 H GLY 22 -0.458 10.788 17.914 155 HA2 GLY 22 1HA GLY 22 -0.972 12.898 18.683 156 HA3 GLY 22 2HA GLY 22 -1.914 12.145 19.975 157 H ASP 23 H ASP 23 -1.162 13.884 21.226 158 HA ASP 23 HA ASP 23 1.583 14.216 22.003 159 HB2 ASP 23 1HB ASP 23 -0.285 15.909 22.129 160 HB3 ASP 23 2HB ASP 23 -0.936 15.000 23.501 161 H ARG 24 H ARG 24 -0.212 11.515 22.513 162 HA ARG 24 HA ARG 24 0.010 11.276 25.410 163 HB2 ARG 24 1HB ARG 24 -0.593 9.147 23.342 164 HB3 ARG 24 2HB ARG 24 -0.862 9.027 25.079 165 HG2 ARG 24 1HG ARG 24 -2.297 10.922 23.161 166 HG3 ARG 24 2HG ARG 24 -2.965 9.471 23.906 167 HD2 ARG 24 1HD ARG 24 -3.855 11.252 25.191 168 HD3 ARG 24 2HD ARG 24 -2.541 10.601 26.186 169 HE ARG 24 HE ARG 24 -1.516 12.719 24.577 170 HH11 ARG 24 1HH1 ARG 24 -3.626 12.295 27.364 171 HH12 ARG 24 2HH1 ARG 24 -3.219 13.858 28.022 172 HH21 ARG 24 1HH2 ARG 24 -1.012 14.700 25.492 173 HH22 ARG 24 2HH2 ARG 24 -1.781 15.191 26.969 174 H GLY 25 H GLY 25 2.271 10.969 22.964 175 HA2 GLY 25 1HA GLY 25 4.540 10.754 23.441 176 HA3 GLY 25 2HA GLY 25 4.149 10.061 25.016 177 H PHE 26 H PHE 26 6.206 9.016 23.721 178 HA PHE 26 HA PHE 26 5.347 6.298 23.095 179 HB2 PHE 26 1HB PHE 26 6.627 6.435 20.864 180 HB3 PHE 26 2HB PHE 26 5.000 7.117 20.921 181 HD1 PHE 26 HD1 PHE 26 4.561 9.437 20.613 182 HD2 PHE 26 HD2 PHE 26 8.610 7.979 20.874 183 HE1 PHE 26 HE1 PHE 26 5.407 11.646 19.859 184 HE2 PHE 26 HE2 PHE 26 9.459 10.190 20.110 185 HZ PHE 26 HZ PHE 26 7.864 12.018 19.583 186 H TYR 27 H TYR 27 7.140 4.919 22.628 187 HA TYR 27 HA TYR 27 9.579 5.589 24.211 188 HB2 TYR 27 1HB TYR 27 8.445 3.044 22.956 189 HB3 TYR 27 2HB TYR 27 9.970 3.123 23.824 190 HD1 TYR 27 HD1 TYR 27 6.203 3.565 24.340 191 HD2 TYR 27 HD2 TYR 27 10.046 2.789 26.159 192 HE1 TYR 27 HE1 TYR 27 5.113 2.902 26.478 193 HE2 TYR 27 HE2 TYR 27 8.915 2.142 28.251 194 HH TYR 27 HH TYR 27 6.940 1.825 29.335 195 H PHE 28 H PHE 28 11.667 4.731 23.091 196 HA PHE 28 HA PHE 28 11.429 4.980 20.120 197 HB2 PHE 28 1HB PHE 28 12.937 6.652 21.911 198 HB3 PHE 28 2HB PHE 28 14.058 5.680 20.988 199 HD1 PHE 28 HD1 PHE 28 14.602 6.258 18.748 200 HD2 PHE 28 HD2 PHE 28 11.094 7.951 20.585 201 HE1 PHE 28 HE1 PHE 28 14.292 7.764 16.780 202 HE2 PHE 28 HE2 PHE 28 10.794 9.458 18.622 203 HZ PHE 28 HZ PHE 28 12.387 9.361 16.717 204 H ASN 29 H ASN 29 13.451 3.961 22.854 205 HA ASN 29 HA ASN 29 13.976 1.388 21.423 206 HB2 ASN 29 1HB ASN 29 16.076 1.391 22.842 207 HB3 ASN 29 2HB ASN 29 16.029 2.530 21.526 208 HD21 ASN 29 1HD2 ASN 29 16.327 3.802 25.339 209 HD22 ASN 29 2HD2 ASN 29 16.111 2.108 24.946 210 H ARG 30 H ARG 30 11.774 2.083 23.066 211 HA ARG 30 HA ARG 30 10.601 1.335 24.899 212 HB2 ARG 30 1HB ARG 30 12.027 -1.246 24.318 213 HB3 ARG 30 2HB ARG 30 10.387 -0.963 24.904 214 HG2 ARG 30 1HG ARG 30 10.227 0.414 22.673 215 HG3 ARG 30 2HG ARG 30 11.529 -0.691 22.195 216 HD2 ARG 30 1HD ARG 30 8.814 -1.510 23.340 217 HD3 ARG 30 2HD ARG 30 9.201 -1.475 21.605 218 HE ARG 30 HE ARG 30 11.113 -3.084 23.021 219 HH11 ARG 30 1HH1 ARG 30 7.787 -3.211 21.831 220 HH12 ARG 30 2HH1 ARG 30 7.801 -4.949 21.707 221 HH21 ARG 30 1HH2 ARG 30 11.052 -5.304 22.835 222 HH22 ARG 30 2HH2 ARG 30 9.614 -6.107 22.268 223 HA PRO 31 HA PRO 31 14.312 0.777 27.548 224 HB2 PRO 31 1HB PRO 31 14.490 3.113 29.023 225 HB3 PRO 31 2HB PRO 31 15.208 2.900 27.414 226 HG2 PRO 31 1HG PRO 31 12.576 4.173 28.077 227 HG3 PRO 31 2HG PRO 31 13.912 4.813 27.064 228 HD2 PRO 31 1HD PRO 31 11.796 3.558 25.946 229 HD3 PRO 31 2HD PRO 31 13.449 3.315 25.309 230 H ALA 32 H ALA 32 11.417 2.466 28.435 231 HA ALA 32 HA ALA 32 9.987 2.443 30.204 232 HB1 ALA 32 1HB ALA 32 9.324 0.250 31.079 233 HB2 ALA 32 2HB ALA 32 9.636 0.119 29.332 234 HB3 ALA 32 3HB ALA 32 10.846 -0.465 30.500 235 H SER 33 H SER 33 12.836 2.976 30.722 236 HA SER 33 HA SER 33 12.886 2.523 33.667 237 HB2 SER 33 1HB SER 33 15.144 2.725 31.667 238 HB3 SER 33 2HB SER 33 15.324 2.618 33.417 239 HG SER 33 HG SER 33 14.073 0.685 31.732 240 H ARG 34 H ARG 34 12.180 4.702 31.701 241 HA ARG 34 HA ARG 34 12.134 6.938 31.376 242 HB2 ARG 34 1HB ARG 34 11.596 8.180 33.357 243 HB3 ARG 34 2HB ARG 34 10.736 6.656 33.314 244 HG2 ARG 34 1HG ARG 34 12.068 5.724 35.046 245 HG3 ARG 34 2HG ARG 34 13.267 7.030 34.933 246 HD2 ARG 34 1HD ARG 34 11.645 8.632 35.684 247 HD3 ARG 34 2HD ARG 34 10.395 7.374 35.729 248 HE ARG 34 HE ARG 34 11.259 6.565 37.723 249 HH11 ARG 34 1HH1 ARG 34 13.620 8.834 36.387 250 HH12 ARG 34 2HH1 ARG 34 14.570 8.842 37.849 251 HH21 ARG 34 1HH2 ARG 34 12.520 6.637 39.546 252 HH22 ARG 34 2HH2 ARG 34 13.958 7.618 39.598 253 H VAL 35 H VAL 35 14.751 5.857 31.262 254 HA VAL 35 HA VAL 35 16.495 7.453 32.752 255 HB VAL 35 HB VAL 35 18.315 6.621 31.222 256 HG11 VAL 35 1HG1 VAL 35 17.588 5.337 33.179 257 HG12 VAL 35 2HG1 VAL 35 16.372 4.515 32.188 258 HG13 VAL 35 3HG1 VAL 35 18.098 4.273 31.853 259 HG21 VAL 35 1HG2 VAL 35 17.745 4.949 29.479 260 HG22 VAL 35 2HG2 VAL 35 16.012 5.214 29.764 261 HG23 VAL 35 3HG2 VAL 35 17.022 6.523 29.098 262 H SER 36 H SER 36 14.951 7.997 29.695 263 HA SER 36 HA SER 36 16.068 10.703 29.583 264 HB2 SER 36 1HB SER 36 16.866 10.484 27.275 265 HB3 SER 36 2HB SER 36 17.742 9.350 28.328 266 HG SER 36 HG SER 36 17.140 8.111 26.659 267 H ARG 37 H ARG 37 14.893 11.958 27.904 268 HA ARG 37 HA ARG 37 12.180 10.782 27.429 269 HB2 ARG 37 1HB ARG 37 11.210 12.930 27.844 270 HB3 ARG 37 2HB ARG 37 12.266 12.520 29.198 271 HG2 ARG 37 1HG ARG 37 14.052 13.990 28.077 272 HG3 ARG 37 2HG ARG 37 12.769 14.530 26.979 273 HD2 ARG 37 1HD ARG 37 12.864 16.158 28.697 274 HD3 ARG 37 2HD ARG 37 11.432 15.175 29.058 275 HE ARG 37 HE ARG 37 13.621 14.051 30.454 276 HH11 ARG 37 1HH1 ARG 37 11.737 17.037 30.556 277 HH12 ARG 37 2HH1 ARG 37 12.063 17.289 32.248 278 HH21 ARG 37 1HH2 ARG 37 13.990 14.443 32.614 279 HH22 ARG 37 2HH2 ARG 37 13.314 15.851 33.386 280 H ARG 38 H ARG 38 14.931 11.909 25.847 281 HA ARG 38 HA ARG 38 13.529 11.992 23.291 282 HB2 ARG 38 1HB ARG 38 14.218 14.273 22.677 283 HB3 ARG 38 2HB ARG 38 13.063 14.223 23.998 284 HG2 ARG 38 1HG ARG 38 14.983 14.585 25.614 285 HG3 ARG 38 2HG ARG 38 16.018 14.879 24.199 286 HD2 ARG 38 1HD ARG 38 14.427 16.655 23.452 287 HD3 ARG 38 2HD ARG 38 13.471 16.384 24.921 288 HE ARG 38 HE ARG 38 16.215 16.964 25.568 289 HH11 ARG 38 1HH1 ARG 38 13.245 18.571 24.525 290 HH12 ARG 38 2HH1 ARG 38 13.720 20.100 25.213 291 HH21 ARG 38 1HH2 ARG 38 16.751 18.955 26.423 292 HH22 ARG 38 2HH2 ARG 38 15.667 20.309 26.265 293 H SER 39 H SER 39 15.404 10.209 24.117 294 HA SER 39 HA SER 39 17.856 11.025 22.600 295 HB2 SER 39 1HB SER 39 18.359 10.618 24.960 296 HB3 SER 39 2HB SER 39 17.586 9.023 24.857 297 HG SER 39 HG SER 39 20.045 9.885 23.847 298 HA PRO 40 HA PRO 40 15.935 7.737 20.149 299 HB2 PRO 40 1HB PRO 40 16.860 8.425 17.703 300 HB3 PRO 40 2HB PRO 40 15.662 9.442 18.559 301 HG2 PRO 40 1HG PRO 40 18.649 9.765 18.435 302 HG3 PRO 40 2HG PRO 40 17.370 10.968 18.074 303 HD2 PRO 40 1HD PRO 40 18.618 10.812 20.501 304 HD3 PRO 40 2HD PRO 40 16.902 11.319 20.326 305 H GLN 41 H GLN 41 17.714 6.550 21.622 306 HA GLN 41 HA GLN 41 20.267 5.981 20.518 307 HB2 GLN 41 1HB GLN 41 18.559 4.286 22.382 308 HB3 GLN 41 2HB GLN 41 20.281 4.042 22.083 309 HG2 GLN 41 1HG GLN 41 19.068 6.548 23.314 310 HG3 GLN 41 2HG GLN 41 19.786 5.214 24.220 311 HE21 GLN 41 1HE2 GLN 41 23.087 6.247 23.766 312 HE22 GLN 41 2HE2 GLN 41 21.988 5.051 24.410 313 H ARG 42 H ARG 42 17.615 3.566 20.724 314 HA ARG 42 HA ARG 42 18.347 2.533 18.039 315 HB2 ARG 42 1HB ARG 42 18.337 1.046 20.685 316 HB3 ARG 42 2HB ARG 42 18.240 0.212 19.139 317 HG2 ARG 42 1HG ARG 42 20.382 1.188 18.446 318 HG3 ARG 42 2HG ARG 42 20.505 2.003 20.023 319 HD2 ARG 42 1HD ARG 42 20.343 -0.122 21.143 320 HD3 ARG 42 2HD ARG 42 20.254 -0.948 19.566 321 HE ARG 42 HE ARG 42 22.584 0.718 19.666 322 HH11 ARG 42 1HH1 ARG 42 21.433 -2.374 20.933 323 HH12 ARG 42 2HH1 ARG 42 23.048 -3.009 21.097 324 HH21 ARG 42 1HH2 ARG 42 24.611 -0.169 19.897 325 HH22 ARG 42 2HH2 ARG 42 24.809 -1.783 20.522 326 H GLY 43 H GLY 43 16.651 0.228 18.219 327 HA2 GLY 43 1HA GLY 43 14.448 -0.450 18.457 328 HA3 GLY 43 2HA GLY 43 14.081 1.071 19.272 329 H ILE 44 H ILE 44 12.752 2.379 18.232 330 HA ILE 44 HA ILE 44 11.760 1.736 15.654 331 HB ILE 44 HB ILE 44 10.488 3.029 17.388 332 HG12 ILE 44 1HG1 ILE 44 9.651 4.856 15.743 333 HG13 ILE 44 2HG1 ILE 44 10.783 4.163 14.597 334 HG21 ILE 44 1HG2 ILE 44 12.108 5.446 16.510 335 HG22 ILE 44 2HG2 ILE 44 10.842 5.371 17.754 336 HG23 ILE 44 3HG2 ILE 44 12.395 4.557 18.020 337 HD11 ILE 44 1HD1 ILE 44 9.635 1.950 14.888 338 HD12 ILE 44 2HD1 ILE 44 8.429 2.788 15.898 339 HD13 ILE 44 3HD1 ILE 44 8.620 3.231 14.193 340 H VAL 45 H VAL 45 14.384 3.984 16.567 341 HA VAL 45 HA VAL 45 14.521 5.197 13.983 342 HB VAL 45 HB VAL 45 15.559 6.234 15.940 343 HG11 VAL 45 1HG1 VAL 45 17.673 5.396 16.862 344 HG12 VAL 45 2HG1 VAL 45 16.315 4.299 17.144 345 HG13 VAL 45 3HG1 VAL 45 17.516 3.929 15.876 346 HG21 VAL 45 1HG2 VAL 45 16.393 6.797 13.691 347 HG22 VAL 45 2HG2 VAL 45 17.665 6.929 14.926 348 HG23 VAL 45 3HG2 VAL 45 17.631 5.528 13.832 349 H GLU 46 H GLU 46 15.702 2.127 15.257 350 HA GLU 46 HA GLU 46 17.375 1.639 12.920 351 HB2 GLU 46 1HB GLU 46 16.340 -0.290 15.004 352 HB3 GLU 46 2HB GLU 46 17.628 -0.598 13.833 353 HG2 GLU 46 1HG GLU 46 18.907 1.319 14.870 354 HG3 GLU 46 2HG GLU 46 17.676 1.387 16.128 355 H GLU 47 H GLU 47 14.018 1.187 13.799 356 HA GLU 47 HA GLU 47 13.510 -0.757 11.665 357 HB2 GLU 47 1HB GLU 47 11.590 0.923 13.335 358 HB3 GLU 47 2HB GLU 47 11.136 -0.393 12.251 359 HG2 GLU 47 1HG GLU 47 12.827 -0.656 14.750 360 HG3 GLU 47 2HG GLU 47 11.128 -1.092 14.605 361 H CYS 48 H CYS 48 13.212 2.758 12.146 362 HA CYS 48 HA CYS 48 11.932 2.949 9.466 363 HB2 CYS 48 1HB CYS 48 12.018 4.923 11.752 364 HB3 CYS 48 2HB CYS 48 11.116 5.116 10.242 365 H CYS 49 H CYS 49 14.941 3.876 10.996 366 HA CYS 49 HA CYS 49 15.423 5.801 8.747 367 HB2 CYS 49 1HB CYS 49 15.732 6.593 11.126 368 HB3 CYS 49 2HB CYS 49 17.069 5.452 11.271 369 H PHE 50 H PHE 50 16.877 3.060 10.529 370 HA PHE 50 HA PHE 50 18.991 2.761 8.508 371 HB2 PHE 50 1HB PHE 50 18.165 1.059 10.888 372 HB3 PHE 50 2HB PHE 50 19.522 0.678 9.829 373 HD1 PHE 50 HD1 PHE 50 21.660 1.639 10.184 374 HD2 PHE 50 HD2 PHE 50 18.249 3.306 12.183 375 HE1 PHE 50 HE1 PHE 50 23.163 3.063 11.580 376 HE2 PHE 50 HE2 PHE 50 19.725 4.716 13.582 377 HZ PHE 50 HZ PHE 50 22.182 4.605 13.291 378 H ARG 51 H ARG 51 15.741 1.847 8.890 379 HA ARG 51 HA ARG 51 15.835 0.087 6.518 380 HB2 ARG 51 1HB ARG 51 14.479 -0.697 9.144 381 HB3 ARG 51 2HB ARG 51 14.253 -1.532 7.608 382 HG2 ARG 51 1HG ARG 51 16.875 -1.329 9.109 383 HG3 ARG 51 2HG ARG 51 15.790 -2.725 9.138 384 HD2 ARG 51 1HD ARG 51 16.110 -3.080 6.742 385 HD3 ARG 51 2HD ARG 51 17.060 -1.590 6.620 386 HE ARG 51 HE ARG 51 18.104 -3.593 8.482 387 HH11 ARG 51 1HH1 ARG 51 18.305 -2.235 5.233 388 HH12 ARG 51 2HH1 ARG 51 19.890 -2.900 4.950 389 HH21 ARG 51 1HH2 ARG 51 20.133 -4.410 8.049 390 HH22 ARG 51 2HH2 ARG 51 20.904 -4.101 6.519 391 H SER 52 H SER 52 13.129 -0.417 6.389 392 HA SER 52 HA SER 52 11.914 2.320 6.531 393 HB2 SER 52 1HB SER 52 12.242 1.559 4.209 394 HB3 SER 52 2HB SER 52 11.424 0.029 4.582 395 HG SER 52 HG SER 52 10.283 2.646 4.616 396 H CYS 53 H CYS 53 9.649 2.359 7.151 397 HA CYS 53 HA CYS 53 8.583 -0.131 8.352 398 HB2 CYS 53 1HB CYS 53 8.273 0.859 10.512 399 HB3 CYS 53 2HB CYS 53 9.975 1.034 10.085 400 H ASP 54 H ASP 54 6.364 0.123 9.035 401 HA ASP 54 HA ASP 54 4.865 2.115 7.390 402 HB2 ASP 54 1HB ASP 54 4.184 -0.557 8.657 403 HB3 ASP 54 2HB ASP 54 2.921 0.561 8.119 404 H LEU 55 H LEU 55 2.912 3.054 8.419 405 HA LEU 55 HA LEU 55 3.404 4.239 10.960 406 HB2 LEU 55 1HB LEU 55 1.691 5.472 10.322 407 HB3 LEU 55 2HB LEU 55 1.511 4.423 8.917 408 HG LEU 55 HG LEU 55 -0.010 3.796 11.433 409 HD11 LEU 55 1HD1 LEU 55 -0.385 6.184 10.977 410 HD12 LEU 55 2HD1 LEU 55 -1.829 5.231 10.601 411 HD13 LEU 55 3HD1 LEU 55 -0.781 5.812 9.285 412 HD21 LEU 55 1HD2 LEU 55 -0.048 2.172 9.513 413 HD22 LEU 55 2HD2 LEU 55 -0.648 3.463 8.458 414 HD23 LEU 55 3HD2 LEU 55 -1.636 2.887 9.821 415 H ALA 56 H ALA 56 1.927 1.226 10.033 416 HA ALA 56 HA ALA 56 0.588 0.716 12.516 417 HB1 ALA 56 1HB ALA 56 0.037 -0.274 10.300 418 HB2 ALA 56 2HB ALA 56 1.550 -1.209 10.364 419 HB3 ALA 56 3HB ALA 56 0.274 -1.505 11.575 420 H LEU 57 H LEU 57 3.772 -0.181 11.167 421 HA LEU 57 HA LEU 57 4.619 -1.801 13.397 422 HB2 LEU 57 1HB LEU 57 5.591 -1.755 11.077 423 HB3 LEU 57 2HB LEU 57 6.261 -0.169 11.409 424 HG LEU 57 HG LEU 57 7.017 -2.607 13.019 425 HD11 LEU 57 1HD1 LEU 57 7.415 -3.065 10.637 426 HD12 LEU 57 2HD1 LEU 57 8.947 -2.864 11.509 427 HD13 LEU 57 3HD1 LEU 57 8.329 -1.547 10.488 428 HD21 LEU 57 1HD2 LEU 57 7.765 -0.585 14.098 429 HD22 LEU 57 2HD2 LEU 57 8.386 0.068 12.567 430 HD23 LEU 57 3HD2 LEU 57 9.162 -1.340 13.326 431 H LEU 58 H LEU 58 4.945 1.602 12.452 432 HA LEU 58 HA LEU 58 6.583 2.469 14.524 433 HB2 LEU 58 1HB LEU 58 6.042 3.487 12.332 434 HB3 LEU 58 2HB LEU 58 4.459 3.913 12.949 435 HG LEU 58 HG LEU 58 6.725 4.880 14.524 436 HD11 LEU 58 1HD1 LEU 58 6.147 5.874 11.715 437 HD12 LEU 58 2HD1 LEU 58 7.668 5.173 12.313 438 HD13 LEU 58 3HD1 LEU 58 7.124 6.752 12.912 439 HD21 LEU 58 1HD2 LEU 58 5.288 6.952 14.397 440 HD22 LEU 58 2HD2 LEU 58 4.493 5.535 15.098 441 HD23 LEU 58 3HD2 LEU 58 4.142 6.021 13.425 442 H GLU 59 H GLU 59 3.049 2.232 14.393 443 HA GLU 59 HA GLU 59 2.466 3.693 16.752 444 HB2 GLU 59 1HB GLU 59 0.847 3.070 15.034 445 HB3 GLU 59 2HB GLU 59 1.046 1.362 15.422 446 HG2 GLU 59 1HG GLU 59 0.228 3.044 17.710 447 HG3 GLU 59 2HG GLU 59 -0.928 2.970 16.378 448 HE2 GLU 59 HE2 GLU 59 -1.632 -0.325 16.802 449 H THR 60 H THR 60 3.711 0.407 16.397 450 HA THR 60 HA THR 60 2.818 -0.596 18.899 451 HB THR 60 HB THR 60 4.472 -2.338 18.668 452 HG1 THR 60 HG1 THR 60 5.628 -0.885 16.508 453 HG21 THR 60 1HG2 THR 60 3.942 -3.156 16.459 454 HG22 THR 60 2HG2 THR 60 3.621 -1.518 15.860 455 HG23 THR 60 3HG2 THR 60 2.521 -2.258 17.043 456 H TYR 61 H TYR 61 5.203 1.793 18.267 457 HA TYR 61 HA TYR 61 6.640 1.287 20.799 458 HB2 TYR 61 1HB TYR 61 6.986 3.160 18.465 459 HB3 TYR 61 2HB TYR 61 7.809 3.476 19.993 460 HD1 TYR 61 HD1 TYR 61 9.677 2.183 20.731 461 HD2 TYR 61 HD2 TYR 61 7.536 1.022 17.182 462 HE1 TYR 61 HE1 TYR 61 11.504 0.591 20.157 463 HE2 TYR 61 HE2 TYR 61 9.382 -0.544 16.586 464 HH TYR 61 HH TYR 61 11.352 -1.484 17.238 465 H CYS 62 H CYS 62 3.684 2.717 20.178 466 HA CYS 62 HA CYS 62 3.996 5.241 21.485 467 HB2 CYS 62 1HB CYS 62 1.579 3.464 21.143 468 HB3 CYS 62 2HB CYS 62 1.534 5.125 21.768 469 H ALA 63 H ALA 63 3.160 5.983 23.506 470 HA ALA 63 HA ALA 63 4.126 4.225 25.619 471 HB1 ALA 63 1HB ALA 63 3.833 6.256 27.038 472 HB2 ALA 63 2HB ALA 63 4.826 6.545 25.591 473 HB3 ALA 63 3HB ALA 63 3.130 7.090 25.628 474 H THR 64 H THR 64 1.087 5.807 24.827 475 HA THR 64 HA THR 64 -0.486 3.934 26.381 476 HB THR 64 HB THR 64 0.511 5.645 28.090 477 HG1 THR 64 HG1 THR 64 -1.438 5.694 29.209 478 HG21 THR 64 1HG2 THR 64 -1.646 7.397 26.907 479 HG22 THR 64 2HG2 THR 64 0.103 7.641 26.651 480 HG23 THR 64 3HG2 THR 64 -0.583 7.766 28.284 481 HA PRO 65 HA PRO 65 -3.160 5.414 23.150 482 HB2 PRO 65 1HB PRO 65 -5.627 4.657 23.985 483 HB3 PRO 65 2HB PRO 65 -4.357 3.444 23.619 484 HG2 PRO 65 1HG PRO 65 -5.130 4.620 26.285 485 HG3 PRO 65 2HG PRO 65 -5.003 2.893 25.814 486 HD2 PRO 65 1HD PRO 65 -2.963 4.189 27.049 487 HD3 PRO 65 2HD PRO 65 -2.657 2.953 25.789 488 H ALA 66 H ALA 66 -5.100 6.762 22.641 489 HA ALA 66 HA ALA 66 -5.226 9.150 24.368 490 HB1 ALA 66 1HB ALA 66 -6.591 8.507 21.706 491 HB2 ALA 66 2HB ALA 66 -6.547 10.097 22.504 492 HB3 ALA 66 3HB ALA 66 -5.046 9.375 21.881 493 H LYS 67 H LYS 67 -7.360 9.981 25.044 494 HA LYS 67 HA LYS 67 -9.132 7.818 25.978 495 HB2 LYS 67 1HB LYS 67 -10.292 9.607 27.200 496 HB3 LYS 67 2HB LYS 67 -8.568 9.566 27.563 497 HG2 LYS 67 1HG LYS 67 -8.142 11.593 26.414 498 HG3 LYS 67 2HG LYS 67 -9.652 11.493 25.490 499 HD2 LYS 67 1HD LYS 67 -10.916 11.713 27.656 500 HD3 LYS 67 2HD LYS 67 -9.370 12.071 28.456 501 HE2 LYS 67 1HE LYS 67 -9.053 14.026 26.997 502 HE3 LYS 67 2HE LYS 67 -10.535 13.618 26.103 503 HZ1 LYS 67 1HZ LYS 67 -10.427 14.341 28.977 504 HZ2 LYS 67 2HZ LYS 67 -11.794 13.961 28.136 505 HZ3 LYS 67 3HZ LYS 67 -10.949 15.326 27.760 506 H SER 68 H SER 68 -9.174 7.866 23.248 507 HA SER 68 HA SER 68 -11.363 9.547 22.258 508 HB2 SER 68 1HB SER 68 -10.922 8.083 20.177 509 HB3 SER 68 2HB SER 68 -9.610 9.154 20.721 510 HG SER 68 HG SER 68 -9.889 6.373 21.219 511 H GLU 69 H GLU 69 -12.959 8.754 23.834 512 HA GLU 69 HA GLU 69 -14.449 6.437 22.729 513 HB2 GLU 69 1HB GLU 69 -13.793 6.856 25.680 514 HB3 GLU 69 2HB GLU 69 -14.985 5.710 25.058 515 HG2 GLU 69 1HG GLU 69 -13.165 4.518 23.848 516 HG3 GLU 69 2HG GLU 69 -11.992 5.633 24.569 Start of MODEL 13 1 H1 ALA 1 1H ALA 1 10.306 18.888 -4.859 2 H2 ALA 1 2H ALA 1 11.540 17.885 -5.290 3 H3 ALA 1 3H ALA 1 10.859 18.884 -6.414 4 HA ALA 1 HA ALA 1 8.757 17.718 -6.243 5 HB1 ALA 1 1HB ALA 1 10.380 17.020 -8.001 6 HB2 ALA 1 2HB ALA 1 11.152 15.903 -6.846 7 HB3 ALA 1 3HB ALA 1 9.478 15.620 -7.374 8 H TYR 2 H TYR 2 7.544 15.976 -5.368 9 HA TYR 2 HA TYR 2 8.074 15.425 -2.589 10 HB2 TYR 2 1HB TYR 2 5.816 15.638 -3.545 11 HB3 TYR 2 2HB TYR 2 6.106 14.240 -4.585 12 HD1 TYR 2 HD1 TYR 2 5.460 12.092 -3.854 13 HD2 TYR 2 HD2 TYR 2 6.009 15.217 -0.938 14 HE1 TYR 2 HE1 TYR 2 4.593 10.587 -2.064 15 HE2 TYR 2 HE2 TYR 2 5.159 13.689 0.845 16 HH TYR 2 HH TYR 2 4.373 11.581 1.343 17 H ARG 3 H ARG 3 8.450 13.356 -1.614 18 HA ARG 3 HA ARG 3 9.488 11.201 -3.405 19 HB2 ARG 3 1HB ARG 3 10.658 12.190 -0.762 20 HB3 ARG 3 2HB ARG 3 11.077 10.646 -1.509 21 HG2 ARG 3 1HG ARG 3 12.037 11.781 -3.425 22 HG3 ARG 3 2HG ARG 3 11.562 13.361 -2.757 23 HD2 ARG 3 1HD ARG 3 12.959 12.937 -0.765 24 HD3 ARG 3 2HD ARG 3 13.429 11.361 -1.426 25 HE ARG 3 HE ARG 3 14.069 13.334 -3.347 26 HH11 ARG 3 1HH1 ARG 3 15.142 12.373 -0.123 27 HH12 ARG 3 2HH1 ARG 3 16.767 12.945 -0.390 28 HH21 ARG 3 1HH2 ARG 3 16.167 14.053 -3.610 29 HH22 ARG 3 2HH2 ARG 3 17.326 13.892 -2.321 30 HA PRO 4 HA PRO 4 6.369 9.176 -0.999 31 HB2 PRO 4 1HB PRO 4 7.180 6.554 -1.039 32 HB3 PRO 4 2HB PRO 4 6.498 7.386 -2.472 33 HG2 PRO 4 1HG PRO 4 9.392 6.972 -1.748 34 HG3 PRO 4 2HG PRO 4 8.553 6.599 -3.288 35 HD2 PRO 4 1HD PRO 4 9.938 8.888 -3.000 36 HD3 PRO 4 2HD PRO 4 8.361 8.882 -3.863 37 H SER 5 H SER 5 9.756 8.861 -0.166 38 HA SER 5 HA SER 5 10.846 8.693 1.836 39 HB2 SER 5 1HB SER 5 8.398 10.152 2.845 40 HB3 SER 5 2HB SER 5 10.061 10.256 3.470 41 HG SER 5 HG SER 5 8.919 11.315 1.133 42 H GLU 6 H GLU 6 9.970 6.232 1.607 43 HA GLU 6 HA GLU 6 8.205 5.364 3.729 44 HB2 GLU 6 1HB GLU 6 8.808 3.131 3.030 45 HB3 GLU 6 2HB GLU 6 8.543 4.135 1.604 46 HG2 GLU 6 1HG GLU 6 11.017 4.417 1.378 47 HG3 GLU 6 2HG GLU 6 11.241 3.311 2.740 48 H THR 7 H THR 7 10.927 6.878 4.250 49 HA THR 7 HA THR 7 11.691 5.219 6.587 50 HB THR 7 HB THR 7 14.081 6.062 6.202 51 HG1 THR 7 HG1 THR 7 14.581 6.746 4.140 52 HG21 THR 7 1HG2 THR 7 14.677 4.298 4.660 53 HG22 THR 7 2HG2 THR 7 13.007 4.211 4.052 54 HG23 THR 7 3HG2 THR 7 13.377 3.731 5.725 55 H LEU 8 H LEU 8 12.343 6.448 8.352 56 HA LEU 8 HA LEU 8 12.022 9.420 8.123 57 HB2 LEU 8 1HB LEU 8 10.946 7.650 10.308 58 HB3 LEU 8 2HB LEU 8 10.915 9.405 10.318 59 HG LEU 8 HG LEU 8 9.457 7.655 8.430 60 HD11 LEU 8 1HD1 LEU 8 8.580 7.360 10.586 61 HD12 LEU 8 2HD1 LEU 8 7.452 8.275 9.576 62 HD13 LEU 8 3HD1 LEU 8 8.440 9.121 10.779 63 HD21 LEU 8 1HD2 LEU 8 10.030 9.986 7.588 64 HD22 LEU 8 2HD2 LEU 8 9.099 10.623 8.968 65 HD23 LEU 8 3HD2 LEU 8 8.286 9.674 7.701 66 H CYS 9 H CYS 9 13.223 10.571 9.537 67 HA CYS 9 HA CYS 9 14.796 9.104 11.567 68 HB2 CYS 9 1HB CYS 9 15.911 9.428 9.087 69 HB3 CYS 9 2HB CYS 9 16.478 10.886 9.908 70 H GLY 10 H GLY 10 15.824 10.476 13.127 71 HA2 GLY 10 1HA GLY 10 15.842 12.313 14.525 72 HA3 GLY 10 2HA GLY 10 15.863 13.270 13.038 73 H GLY 11 H GLY 11 14.481 14.873 13.293 74 HA2 GLY 11 1HA GLY 11 12.166 14.755 14.940 75 HA3 GLY 11 2HA GLY 11 12.543 16.006 13.752 76 H GLU 12 H GLU 12 12.583 13.771 11.574 77 HA GLU 12 HA GLU 12 9.829 14.129 10.775 78 HB2 GLU 12 1HB GLU 12 11.831 12.022 9.883 79 HB3 GLU 12 2HB GLU 12 10.358 12.468 9.029 80 HG2 GLU 12 1HG GLU 12 11.247 14.624 8.472 81 HG3 GLU 12 2HG GLU 12 12.656 14.372 9.514 82 H LEU 13 H LEU 13 11.697 11.567 12.348 83 HA LEU 13 HA LEU 13 9.586 9.622 12.272 84 HB2 LEU 13 1HB LEU 13 12.034 9.173 12.476 85 HB3 LEU 13 2HB LEU 13 11.991 9.795 14.116 86 HG LEU 13 HG LEU 13 10.787 7.932 14.915 87 HD11 LEU 13 1HD1 LEU 13 9.062 7.630 13.232 88 HD12 LEU 13 2HD1 LEU 13 9.928 6.106 13.436 89 HD13 LEU 13 3HD1 LEU 13 10.247 7.120 12.016 90 HD21 LEU 13 1HD2 LEU 13 12.780 7.036 12.797 91 HD22 LEU 13 2HD2 LEU 13 12.228 6.054 14.170 92 HD23 LEU 13 3HD2 LEU 13 13.147 7.544 14.466 93 H VAL 14 H VAL 14 10.765 11.992 14.663 94 HA VAL 14 HA VAL 14 8.986 11.316 16.790 95 HB VAL 14 HB VAL 14 10.297 13.963 16.004 96 HG11 VAL 14 1HG1 VAL 14 8.339 14.575 17.348 97 HG12 VAL 14 2HG1 VAL 14 8.724 13.329 18.543 98 HG13 VAL 14 3HG1 VAL 14 9.785 14.733 18.353 99 HG21 VAL 14 1HG2 VAL 14 10.936 11.980 18.227 100 HG22 VAL 14 2HG2 VAL 14 11.815 12.096 16.681 101 HG23 VAL 14 3HG2 VAL 14 11.852 13.453 17.826 102 H ASP 15 H ASP 15 8.621 13.623 14.049 103 HA ASP 15 HA ASP 15 6.091 14.624 14.826 104 HB2 ASP 15 1HB ASP 15 7.637 15.473 12.998 105 HB3 ASP 15 2HB ASP 15 7.009 14.179 11.965 106 H THR 16 H THR 16 6.946 11.719 12.910 107 HA THR 16 HA THR 16 4.183 11.127 12.307 108 HB THR 16 HB THR 16 6.580 9.268 12.343 109 HG1 THR 16 HG1 THR 16 7.040 10.956 10.981 110 HG21 THR 16 1HG2 THR 16 5.279 8.099 10.582 111 HG22 THR 16 2HG2 THR 16 3.912 9.191 10.887 112 HG23 THR 16 3HG2 THR 16 4.468 8.074 12.159 113 H LEU 17 H LEU 17 6.431 10.108 14.909 114 HA LEU 17 HA LEU 17 4.642 8.184 16.074 115 HB2 LEU 17 1HB LEU 17 6.969 9.797 17.101 116 HB3 LEU 17 2HB LEU 17 6.027 8.766 18.180 117 HG LEU 17 HG LEU 17 7.031 7.556 15.637 118 HD11 LEU 17 1HD1 LEU 17 8.801 7.926 18.059 119 HD12 LEU 17 2HD1 LEU 17 8.977 8.771 16.501 120 HD13 LEU 17 3HD1 LEU 17 9.173 7.016 16.574 121 HD21 LEU 17 1HD2 LEU 17 7.165 5.547 17.012 122 HD22 LEU 17 2HD2 LEU 17 5.578 6.303 17.246 123 HD23 LEU 17 3HD2 LEU 17 6.841 6.489 18.487 124 H GLN 18 H GLN 18 4.999 11.709 16.476 125 HA GLN 18 HA GLN 18 2.982 11.956 18.533 126 HB2 GLN 18 1HB GLN 18 4.030 13.885 16.431 127 HB3 GLN 18 2HB GLN 18 2.878 14.347 17.688 128 HG2 GLN 18 1HG GLN 18 4.458 13.963 19.424 129 HG3 GLN 18 2HG GLN 18 5.573 13.143 18.328 130 HE21 GLN 18 1HE2 GLN 18 6.124 16.956 18.967 131 HE22 GLN 18 2HE2 GLN 18 5.194 15.884 19.984 132 H PHE 19 H PHE 19 2.881 11.855 14.955 133 HA PHE 19 HA PHE 19 0.142 12.663 14.766 134 HB2 PHE 19 1HB PHE 19 1.780 12.733 12.910 135 HB3 PHE 19 2HB PHE 19 1.785 10.968 12.858 136 HD1 PHE 19 HD1 PHE 19 0.012 9.731 11.801 137 HD2 PHE 19 HD2 PHE 19 -0.285 13.999 12.275 138 HE1 PHE 19 HE1 PHE 19 -1.930 9.763 10.242 139 HE2 PHE 19 HE2 PHE 19 -2.229 14.042 10.718 140 HZ PHE 19 HZ PHE 19 -3.055 11.921 9.696 141 H VAL 20 H VAL 20 1.617 9.355 14.907 142 HA VAL 20 HA VAL 20 -0.939 8.115 14.400 143 HB VAL 20 HB VAL 20 0.130 5.969 14.856 144 HG11 VAL 20 1HG1 VAL 20 1.874 6.025 13.216 145 HG12 VAL 20 2HG1 VAL 20 0.560 7.119 12.721 146 HG13 VAL 20 3HG1 VAL 20 2.049 7.783 13.416 147 HG21 VAL 20 1HG2 VAL 20 1.433 6.629 16.844 148 HG22 VAL 20 2HG2 VAL 20 2.401 5.772 15.649 149 HG23 VAL 20 3HG2 VAL 20 2.539 7.539 15.803 150 H CYS 21 H CYS 21 0.574 9.215 17.315 151 HA CYS 21 HA CYS 21 -1.617 7.889 18.883 152 HB2 CYS 21 1HB CYS 21 1.343 7.937 19.416 153 HB3 CYS 21 2HB CYS 21 0.182 7.668 20.724 154 H GLY 22 H GLY 22 -0.170 10.935 18.319 155 HA2 GLY 22 1HA GLY 22 -0.905 12.922 19.269 156 HA3 GLY 22 2HA GLY 22 -1.715 12.029 20.560 157 H ASP 23 H ASP 23 -0.468 14.268 21.238 158 HA ASP 23 HA ASP 23 2.307 14.014 21.889 159 HB2 ASP 23 1HB ASP 23 0.108 15.878 22.782 160 HB3 ASP 23 2HB ASP 23 1.770 16.020 23.379 161 H ARG 24 H ARG 24 -0.172 12.315 23.247 162 HA ARG 24 HA ARG 24 0.398 12.410 26.057 163 HB2 ARG 24 1HB ARG 24 -0.530 10.065 26.049 164 HB3 ARG 24 2HB ARG 24 -1.591 11.298 25.355 165 HG2 ARG 24 1HG ARG 24 -1.275 10.543 23.170 166 HG3 ARG 24 2HG ARG 24 0.222 9.683 23.566 167 HD2 ARG 24 1HD ARG 24 -1.577 8.108 23.188 168 HD3 ARG 24 2HD ARG 24 -1.029 8.050 24.875 169 HE ARG 24 HE ARG 24 -3.209 9.859 24.698 170 HH11 ARG 24 1HH1 ARG 24 -2.592 6.410 24.412 171 HH12 ARG 24 2HH1 ARG 24 -4.179 5.961 24.983 172 HH21 ARG 24 1HH2 ARG 24 -5.249 9.236 25.405 173 HH22 ARG 24 2HH2 ARG 24 -5.654 7.547 25.532 174 H GLY 25 H GLY 25 2.242 11.173 23.401 175 HA2 GLY 25 1HA GLY 25 4.583 10.923 23.848 176 HA3 GLY 25 2HA GLY 25 4.212 10.223 25.417 177 H PHE 26 H PHE 26 6.064 9.153 23.853 178 HA PHE 26 HA PHE 26 5.076 6.457 23.336 179 HB2 PHE 26 1HB PHE 26 6.123 6.495 21.017 180 HB3 PHE 26 2HB PHE 26 4.589 7.358 21.167 181 HD1 PHE 26 HD1 PHE 26 4.402 9.702 20.866 182 HD2 PHE 26 HD2 PHE 26 8.263 7.793 20.850 183 HE1 PHE 26 HE1 PHE 26 5.433 11.794 20.031 184 HE2 PHE 26 HE2 PHE 26 9.301 9.884 19.986 185 HZ PHE 26 HZ PHE 26 7.887 11.892 19.591 186 H TYR 27 H TYR 27 7.033 5.131 22.647 187 HA TYR 27 HA TYR 27 9.450 6.130 24.122 188 HB2 TYR 27 1HB TYR 27 8.491 3.339 23.362 189 HB3 TYR 27 2HB TYR 27 10.019 3.706 24.160 190 HD1 TYR 27 HD1 TYR 27 6.328 3.422 24.640 191 HD2 TYR 27 HD2 TYR 27 10.107 4.351 26.526 192 HE1 TYR 27 HE1 TYR 27 5.306 3.134 26.893 193 HE2 TYR 27 HE2 TYR 27 9.040 4.084 28.764 194 HH TYR 27 HH TYR 27 5.612 3.192 29.145 195 H PHE 28 H PHE 28 11.537 5.589 23.067 196 HA PHE 28 HA PHE 28 11.219 5.389 20.101 197 HB2 PHE 28 1HB PHE 28 12.902 6.982 21.770 198 HB3 PHE 28 2HB PHE 28 13.924 5.840 20.913 199 HD1 PHE 28 HD1 PHE 28 11.087 8.237 20.312 200 HD2 PHE 28 HD2 PHE 28 14.617 6.356 18.716 201 HE1 PHE 28 HE1 PHE 28 10.910 9.649 18.269 202 HE2 PHE 28 HE2 PHE 28 14.452 7.784 16.675 203 HZ PHE 28 HZ PHE 28 12.591 9.424 16.446 204 H ASN 29 H ASN 29 12.576 3.929 22.999 205 HA ASN 29 HA ASN 29 13.152 1.471 21.451 206 HB2 ASN 29 1HB ASN 29 15.295 1.542 23.134 207 HB3 ASN 29 2HB ASN 29 15.335 2.116 21.478 208 HD21 ASN 29 1HD2 ASN 29 16.295 5.297 22.450 209 HD22 ASN 29 2HD2 ASN 29 16.273 4.006 21.256 210 H ARG 30 H ARG 30 11.211 2.477 23.510 211 HA ARG 30 HA ARG 30 10.194 1.695 25.440 212 HB2 ARG 30 1HB ARG 30 10.960 -0.983 24.284 213 HB3 ARG 30 2HB ARG 30 9.503 -0.503 25.138 214 HG2 ARG 30 1HG ARG 30 9.165 1.136 23.181 215 HG3 ARG 30 2HG ARG 30 10.343 0.098 22.349 216 HD2 ARG 30 1HD ARG 30 7.759 -0.819 23.644 217 HD3 ARG 30 2HD ARG 30 7.973 -0.539 21.909 218 HE ARG 30 HE ARG 30 9.127 -2.743 23.528 219 HH11 ARG 30 1HH1 ARG 30 8.745 -1.297 20.322 220 HH12 ARG 30 2HH1 ARG 30 9.336 -2.723 19.516 221 HH21 ARG 30 1HH2 ARG 30 9.880 -4.509 22.424 222 HH22 ARG 30 2HH2 ARG 30 9.962 -4.506 20.683 223 HA PRO 31 HA PRO 31 14.092 -0.063 27.164 224 HB2 PRO 31 1HB PRO 31 15.367 1.938 28.527 225 HB3 PRO 31 2HB PRO 31 15.430 1.776 26.757 226 HG2 PRO 31 1HG PRO 31 13.666 3.576 28.372 227 HG3 PRO 31 2HG PRO 31 14.694 3.975 26.959 228 HD2 PRO 31 1HD PRO 31 12.011 3.428 26.731 229 HD3 PRO 31 2HD PRO 31 13.192 3.019 25.451 230 H ALA 32 H ALA 32 12.105 2.197 28.855 231 HA ALA 32 HA ALA 32 11.330 2.450 30.968 232 HB1 ALA 32 1HB ALA 32 10.110 0.377 30.321 233 HB2 ALA 32 2HB ALA 32 11.415 -0.591 31.048 234 HB3 ALA 32 3HB ALA 32 10.409 0.458 32.072 235 H SER 33 H SER 33 14.248 2.168 30.591 236 HA SER 33 HA SER 33 15.109 1.304 33.275 237 HB2 SER 33 1HB SER 33 16.674 1.989 30.782 238 HB3 SER 33 2HB SER 33 17.365 1.434 32.305 239 HG SER 33 HG SER 33 15.367 -0.063 30.952 240 H ARG 34 H ARG 34 14.051 3.891 32.070 241 HA ARG 34 HA ARG 34 14.033 6.145 32.486 242 HB2 ARG 34 1HB ARG 34 14.207 4.794 34.859 243 HB3 ARG 34 2HB ARG 34 15.568 5.903 35.011 244 HG2 ARG 34 1HG ARG 34 12.877 6.913 34.127 245 HG3 ARG 34 2HG ARG 34 13.175 6.569 35.844 246 HD2 ARG 34 1HD ARG 34 15.209 8.046 35.718 247 HD3 ARG 34 2HD ARG 34 14.707 8.511 34.085 248 HE ARG 34 HE ARG 34 12.529 8.962 35.837 249 HH11 ARG 34 1HH1 ARG 34 15.763 10.252 35.262 250 HH12 ARG 34 2HH1 ARG 34 15.346 11.835 35.867 251 HH21 ARG 34 1HH2 ARG 34 12.063 11.009 36.598 252 HH22 ARG 34 2HH2 ARG 34 13.285 12.251 36.611 253 H VAL 35 H VAL 35 16.389 4.927 31.114 254 HA VAL 35 HA VAL 35 18.705 6.220 32.009 255 HB VAL 35 HB VAL 35 19.607 5.745 29.649 256 HG11 VAL 35 1HG1 VAL 35 19.991 4.243 31.512 257 HG12 VAL 35 2HG1 VAL 35 18.394 3.501 31.297 258 HG13 VAL 35 3HG1 VAL 35 19.646 3.295 30.051 259 HG21 VAL 35 1HG2 VAL 35 17.433 5.774 28.419 260 HG22 VAL 35 2HG2 VAL 35 18.269 4.225 28.222 261 HG23 VAL 35 3HG2 VAL 35 16.893 4.343 29.334 262 H SER 36 H SER 36 16.421 7.187 29.443 263 HA SER 36 HA SER 36 17.055 9.974 29.873 264 HB2 SER 36 1HB SER 36 18.967 9.420 28.442 265 HB3 SER 36 2HB SER 36 17.889 8.630 27.276 266 HG SER 36 HG SER 36 18.619 10.966 26.976 267 H ARG 37 H ARG 37 15.481 11.306 28.888 268 HA ARG 37 HA ARG 37 13.130 9.823 27.830 269 HB2 ARG 37 1HB ARG 37 11.890 11.886 28.145 270 HB3 ARG 37 2HB ARG 37 12.716 11.423 29.632 271 HG2 ARG 37 1HG ARG 37 14.418 13.144 29.279 272 HG3 ARG 37 2HG ARG 37 13.686 13.583 27.718 273 HD2 ARG 37 1HD ARG 37 11.616 14.249 28.827 274 HD3 ARG 37 2HD ARG 37 12.240 13.703 30.393 275 HE ARG 37 HE ARG 37 14.067 15.605 29.436 276 HH11 ARG 37 1HH1 ARG 37 10.662 15.600 30.382 277 HH12 ARG 37 2HH1 ARG 37 10.713 17.261 30.910 278 HH21 ARG 37 1HH2 ARG 37 14.052 17.725 30.141 279 HH22 ARG 37 2HH2 ARG 37 12.590 18.436 30.766 280 H ARG 38 H ARG 38 15.894 11.094 26.558 281 HA ARG 38 HA ARG 38 14.623 11.333 23.917 282 HB2 ARG 38 1HB ARG 38 15.747 13.510 23.431 283 HB3 ARG 38 2HB ARG 38 14.382 13.585 24.538 284 HG2 ARG 38 1HG ARG 38 15.733 14.054 26.408 285 HG3 ARG 38 2HG ARG 38 17.208 13.479 25.609 286 HD2 ARG 38 1HD ARG 38 17.185 15.933 25.736 287 HD3 ARG 38 2HD ARG 38 17.160 15.379 24.060 288 HE ARG 38 HE ARG 38 14.860 16.559 25.553 289 HH11 ARG 38 1HH1 ARG 38 16.305 15.695 22.441 290 HH12 ARG 38 2HH1 ARG 38 15.073 16.540 21.542 291 HH21 ARG 38 1HH2 ARG 38 13.334 17.612 24.323 292 HH22 ARG 38 2HH2 ARG 38 13.432 17.595 22.586 293 H SER 39 H SER 39 16.060 9.254 24.351 294 HA SER 39 HA SER 39 18.722 9.869 23.111 295 HB2 SER 39 1HB SER 39 18.968 8.845 25.340 296 HB3 SER 39 2HB SER 39 17.996 7.457 24.805 297 HG SER 39 HG SER 39 20.300 7.146 24.615 298 HA PRO 40 HA PRO 40 16.211 7.489 20.136 299 HB2 PRO 40 1HB PRO 40 16.502 9.004 17.918 300 HB3 PRO 40 2HB PRO 40 15.498 9.581 19.282 301 HG2 PRO 40 1HG PRO 40 18.371 10.222 18.649 302 HG3 PRO 40 2HG PRO 40 17.013 11.348 18.968 303 HD2 PRO 40 1HD PRO 40 18.797 10.558 20.901 304 HD3 PRO 40 2HD PRO 40 17.083 10.967 21.257 305 H GLN 41 H GLN 41 18.723 6.624 20.936 306 HA GLN 41 HA GLN 41 20.543 6.494 18.664 307 HB2 GLN 41 1HB GLN 41 21.224 6.408 21.096 308 HB3 GLN 41 2HB GLN 41 20.536 4.781 21.174 309 HG2 GLN 41 1HG GLN 41 22.123 4.082 19.358 310 HG3 GLN 41 2HG GLN 41 22.851 5.693 19.425 311 HE21 GLN 41 1HE2 GLN 41 25.058 4.687 21.906 312 HE22 GLN 41 2HE2 GLN 41 24.739 5.611 20.459 313 H ARG 42 H ARG 42 18.456 4.081 20.317 314 HA ARG 42 HA ARG 42 18.529 2.417 17.841 315 HB2 ARG 42 1HB ARG 42 18.724 1.620 20.758 316 HB3 ARG 42 2HB ARG 42 18.394 0.479 19.454 317 HG2 ARG 42 1HG ARG 42 20.509 1.229 18.342 318 HG3 ARG 42 2HG ARG 42 20.890 2.138 19.823 319 HD2 ARG 42 1HD ARG 42 20.808 0.154 21.131 320 HD3 ARG 42 2HD ARG 42 20.168 -0.773 19.760 321 HE ARG 42 HE ARG 42 22.269 -0.858 18.760 322 HH11 ARG 42 1HH1 ARG 42 22.495 1.078 21.720 323 HH12 ARG 42 2HH1 ARG 42 24.231 0.987 21.748 324 HH21 ARG 42 1HH2 ARG 42 24.484 -0.901 18.867 325 HH22 ARG 42 2HH2 ARG 42 25.334 -0.113 20.170 326 H GLY 43 H GLY 43 16.723 0.567 18.150 327 HA2 GLY 43 1HA GLY 43 14.532 0.052 18.881 328 HA3 GLY 43 2HA GLY 43 14.302 1.727 19.384 329 H ILE 44 H ILE 44 12.785 2.651 18.254 330 HA ILE 44 HA ILE 44 11.779 1.706 15.774 331 HB ILE 44 HB ILE 44 10.492 3.144 17.372 332 HG12 ILE 44 1HG1 ILE 44 9.633 4.836 15.624 333 HG13 ILE 44 2HG1 ILE 44 10.775 4.112 14.516 334 HG21 ILE 44 1HG2 ILE 44 12.145 5.467 16.316 335 HG22 ILE 44 2HG2 ILE 44 10.842 5.530 17.521 336 HG23 ILE 44 3HG2 ILE 44 12.371 4.723 17.906 337 HD11 ILE 44 1HD1 ILE 44 8.624 3.128 14.154 338 HD12 ILE 44 2HD1 ILE 44 9.668 1.895 14.895 339 HD13 ILE 44 3HD1 ILE 44 8.449 2.750 15.876 340 H VAL 45 H VAL 45 14.384 4.003 16.440 341 HA VAL 45 HA VAL 45 14.498 5.089 13.797 342 HB VAL 45 HB VAL 45 15.510 6.241 15.678 343 HG11 VAL 45 1HG1 VAL 45 17.601 5.419 16.707 344 HG12 VAL 45 2HG1 VAL 45 16.185 4.431 17.074 345 HG13 VAL 45 3HG1 VAL 45 17.382 3.878 15.872 346 HG21 VAL 45 1HG2 VAL 45 17.668 5.378 13.719 347 HG22 VAL 45 2HG2 VAL 45 16.458 6.653 13.442 348 HG23 VAL 45 3HG2 VAL 45 17.673 6.843 14.726 349 H GLU 46 H GLU 46 15.759 2.104 15.231 350 HA GLU 46 HA GLU 46 17.495 1.499 12.985 351 HB2 GLU 46 1HB GLU 46 16.286 -0.384 15.025 352 HB3 GLU 46 2HB GLU 46 17.689 -0.684 13.990 353 HG2 GLU 46 1HG GLU 46 18.914 1.132 15.140 354 HG3 GLU 46 2HG GLU 46 17.515 1.431 16.161 355 H GLU 47 H GLU 47 14.103 1.123 13.774 356 HA GLU 47 HA GLU 47 13.662 -0.788 11.585 357 HB2 GLU 47 1HB GLU 47 11.680 0.717 13.330 358 HB3 GLU 47 2HB GLU 47 11.297 -0.604 12.224 359 HG2 GLU 47 1HG GLU 47 12.997 -0.769 14.737 360 HG3 GLU 47 2HG GLU 47 11.373 -1.424 14.509 361 H CYS 48 H CYS 48 13.284 2.704 12.105 362 HA CYS 48 HA CYS 48 11.888 2.881 9.478 363 HB2 CYS 48 1HB CYS 48 12.031 4.815 11.799 364 HB3 CYS 48 2HB CYS 48 11.175 5.112 10.281 365 H CYS 49 H CYS 49 14.942 3.800 10.929 366 HA CYS 49 HA CYS 49 15.359 5.713 8.654 367 HB2 CYS 49 1HB CYS 49 15.721 6.527 11.017 368 HB3 CYS 49 2HB CYS 49 17.067 5.392 11.143 369 H PHE 50 H PHE 50 16.909 3.032 10.466 370 HA PHE 50 HA PHE 50 18.915 2.678 8.351 371 HB2 PHE 50 1HB PHE 50 18.243 1.063 10.833 372 HB3 PHE 50 2HB PHE 50 19.577 0.702 9.742 373 HD1 PHE 50 HD1 PHE 50 21.600 2.071 9.703 374 HD2 PHE 50 HD2 PHE 50 18.331 3.065 12.299 375 HE1 PHE 50 HE1 PHE 50 23.077 3.624 10.984 376 HE2 PHE 50 HE2 PHE 50 19.784 4.576 13.598 377 HZ PHE 50 HZ PHE 50 22.160 4.881 12.944 378 H ARG 51 H ARG 51 15.711 1.673 8.954 379 HA ARG 51 HA ARG 51 15.785 -0.154 6.622 380 HB2 ARG 51 1HB ARG 51 14.451 -0.796 9.291 381 HB3 ARG 51 2HB ARG 51 14.188 -1.699 7.799 382 HG2 ARG 51 1HG ARG 51 16.838 -1.441 9.223 383 HG3 ARG 51 2HG ARG 51 15.739 -2.819 9.365 384 HD2 ARG 51 1HD ARG 51 15.957 -3.246 6.942 385 HD3 ARG 51 2HD ARG 51 17.045 -1.852 6.793 386 HE ARG 51 HE ARG 51 18.012 -3.689 8.773 387 HH11 ARG 51 1HH1 ARG 51 17.854 -3.230 5.280 388 HH12 ARG 51 2HH1 ARG 51 19.276 -4.195 4.990 389 HH21 ARG 51 1HH2 ARG 51 19.823 -4.908 8.331 390 HH22 ARG 51 2HH2 ARG 51 20.368 -5.129 6.691 391 H SER 52 H SER 52 13.204 -0.629 6.315 392 HA SER 52 HA SER 52 11.935 2.081 6.355 393 HB2 SER 52 1HB SER 52 12.303 1.085 4.111 394 HB3 SER 52 2HB SER 52 11.385 -0.352 4.603 395 HG SER 52 HG SER 52 10.248 2.244 4.767 396 H CYS 53 H CYS 53 9.719 2.220 7.056 397 HA CYS 53 HA CYS 53 8.596 -0.204 8.338 398 HB2 CYS 53 1HB CYS 53 8.325 0.853 10.463 399 HB3 CYS 53 2HB CYS 53 10.024 1.023 10.015 400 H ASP 54 H ASP 54 6.386 0.133 9.064 401 HA ASP 54 HA ASP 54 4.907 2.075 7.341 402 HB2 ASP 54 1HB ASP 54 4.061 -0.476 8.776 403 HB3 ASP 54 2HB ASP 54 2.965 0.569 7.856 404 H LEU 55 H LEU 55 2.919 3.001 8.374 405 HA LEU 55 HA LEU 55 3.421 4.234 10.892 406 HB2 LEU 55 1HB LEU 55 1.622 5.408 10.348 407 HB3 LEU 55 2HB LEU 55 1.561 4.441 8.873 408 HG LEU 55 HG LEU 55 -0.029 3.564 11.265 409 HD11 LEU 55 1HD1 LEU 55 -0.537 5.941 10.974 410 HD12 LEU 55 2HD1 LEU 55 -1.895 4.942 10.427 411 HD13 LEU 55 3HD1 LEU 55 -0.808 5.690 9.233 412 HD21 LEU 55 1HD2 LEU 55 -0.510 3.401 8.247 413 HD22 LEU 55 2HD2 LEU 55 -1.510 2.663 9.519 414 HD23 LEU 55 3HD2 LEU 55 0.138 2.081 9.239 415 H ALA 56 H ALA 56 1.997 1.192 10.013 416 HA ALA 56 HA ALA 56 0.641 0.702 12.487 417 HB1 ALA 56 1HB ALA 56 0.130 -0.301 10.268 418 HB2 ALA 56 2HB ALA 56 1.638 -1.239 10.373 419 HB3 ALA 56 3HB ALA 56 0.338 -1.519 11.561 420 H LEU 57 H LEU 57 3.830 -0.213 11.157 421 HA LEU 57 HA LEU 57 4.692 -1.776 13.413 422 HB2 LEU 57 1HB LEU 57 5.663 -1.736 11.087 423 HB3 LEU 57 2HB LEU 57 6.338 -0.151 11.423 424 HG LEU 57 HG LEU 57 7.061 -2.583 13.059 425 HD11 LEU 57 1HD1 LEU 57 7.450 -3.065 10.667 426 HD12 LEU 57 2HD1 LEU 57 8.973 -2.922 11.563 427 HD13 LEU 57 3HD1 LEU 57 8.423 -1.583 10.528 428 HD21 LEU 57 1HD2 LEU 57 8.501 0.052 12.545 429 HD22 LEU 57 2HD2 LEU 57 9.211 -1.344 13.388 430 HD23 LEU 57 3HD2 LEU 57 7.819 -0.514 14.083 431 H LEU 58 H LEU 58 4.987 1.623 12.432 432 HA LEU 58 HA LEU 58 6.601 2.531 14.508 433 HB2 LEU 58 1HB LEU 58 6.055 3.521 12.309 434 HB3 LEU 58 2HB LEU 58 4.468 3.935 12.920 435 HG LEU 58 HG LEU 58 6.770 4.947 14.437 436 HD11 LEU 58 1HD1 LEU 58 7.020 6.831 12.802 437 HD12 LEU 58 2HD1 LEU 58 6.006 5.917 11.663 438 HD13 LEU 58 3HD1 LEU 58 7.578 5.265 12.179 439 HD21 LEU 58 1HD2 LEU 58 4.101 6.033 13.484 440 HD22 LEU 58 2HD2 LEU 58 5.276 6.985 14.401 441 HD23 LEU 58 3HD2 LEU 58 4.546 5.549 15.135 442 H GLU 59 H GLU 59 3.070 2.244 14.366 443 HA GLU 59 HA GLU 59 2.480 3.707 16.727 444 HB2 GLU 59 1HB GLU 59 0.867 3.078 15.005 445 HB3 GLU 59 2HB GLU 59 1.062 1.375 15.402 446 HG2 GLU 59 1HG GLU 59 0.202 3.181 17.619 447 HG3 GLU 59 2HG GLU 59 -0.956 2.890 16.316 448 HE2 GLU 59 HE2 GLU 59 -0.915 0.656 15.681 449 H THR 60 H THR 60 3.750 0.425 16.369 450 HA THR 60 HA THR 60 2.881 -0.574 18.886 451 HB THR 60 HB THR 60 4.540 -2.306 18.651 452 HG1 THR 60 HG1 THR 60 5.689 -0.842 16.492 453 HG21 THR 60 1HG2 THR 60 2.590 -2.235 17.019 454 HG22 THR 60 2HG2 THR 60 4.012 -3.137 16.448 455 HG23 THR 60 3HG2 THR 60 3.694 -1.501 15.836 456 H TYR 61 H TYR 61 5.232 1.840 18.224 457 HA TYR 61 HA TYR 61 6.700 1.351 20.745 458 HB2 TYR 61 1HB TYR 61 7.025 3.151 18.365 459 HB3 TYR 61 2HB TYR 61 7.808 3.568 19.884 460 HD1 TYR 61 HD1 TYR 61 7.667 0.991 17.195 461 HD2 TYR 61 HD2 TYR 61 9.687 2.347 20.743 462 HE1 TYR 61 HE1 TYR 61 9.569 -0.549 16.706 463 HE2 TYR 61 HE2 TYR 61 11.566 0.775 20.273 464 HH TYR 61 HH TYR 61 11.652 -1.294 17.375 465 H CYS 62 H CYS 62 3.749 2.743 20.087 466 HA CYS 62 HA CYS 62 3.983 5.243 21.466 467 HB2 CYS 62 1HB CYS 62 1.608 3.431 21.007 468 HB3 CYS 62 2HB CYS 62 1.516 5.066 21.693 469 H ALA 63 H ALA 63 3.053 5.846 23.533 470 HA ALA 63 HA ALA 63 4.262 4.217 25.542 471 HB1 ALA 63 1HB ALA 63 4.255 6.623 25.728 472 HB2 ALA 63 2HB ALA 63 2.476 6.665 25.736 473 HB3 ALA 63 3HB ALA 63 3.360 5.943 27.106 474 H THR 64 H THR 64 0.898 4.713 24.598 475 HA THR 64 HA THR 64 0.066 2.281 25.895 476 HB THR 64 HB THR 64 0.193 4.056 27.810 477 HG1 THR 64 HG1 THR 64 -0.928 2.242 28.231 478 HG21 THR 64 1HG2 THR 64 -2.424 4.917 26.597 479 HG22 THR 64 2HG2 THR 64 -0.914 5.859 26.450 480 HG23 THR 64 3HG2 THR 64 -1.631 5.561 28.050 481 HA PRO 65 HA PRO 65 -2.709 2.912 22.489 482 HB2 PRO 65 1HB PRO 65 -4.743 1.197 23.017 483 HB3 PRO 65 2HB PRO 65 -3.082 0.606 22.685 484 HG2 PRO 65 1HG PRO 65 -4.418 1.083 25.344 485 HG3 PRO 65 2HG PRO 65 -3.575 -0.389 24.757 486 HD2 PRO 65 1HD PRO 65 -2.324 1.461 26.302 487 HD3 PRO 65 2HD PRO 65 -1.455 0.598 24.993 488 H ALA 66 H ALA 66 -4.956 3.540 21.853 489 HA ALA 66 HA ALA 66 -6.153 5.323 23.930 490 HB1 ALA 66 1HB ALA 66 -6.927 6.690 21.997 491 HB2 ALA 66 2HB ALA 66 -5.147 6.546 22.044 492 HB3 ALA 66 3HB ALA 66 -6.096 5.570 20.894 493 H LYS 67 H LYS 67 -8.399 5.619 23.934 494 HA LYS 67 HA LYS 67 -10.058 3.792 22.286 495 HB2 LYS 67 1HB LYS 67 -9.779 2.779 24.599 496 HB3 LYS 67 2HB LYS 67 -10.474 4.260 25.274 497 HG2 LYS 67 1HG LYS 67 -12.542 3.832 23.917 498 HG3 LYS 67 2HG LYS 67 -11.828 2.288 23.408 499 HD2 LYS 67 1HD LYS 67 -11.631 1.663 25.843 500 HD3 LYS 67 2HD LYS 67 -12.536 3.136 26.243 501 HE2 LYS 67 1HE LYS 67 -13.514 0.822 24.511 502 HE3 LYS 67 2HE LYS 67 -14.022 1.166 26.177 503 HZ1 LYS 67 1HZ LYS 67 -14.920 3.292 25.336 504 HZ2 LYS 67 2HZ LYS 67 -15.637 1.985 24.624 505 HZ3 LYS 67 3HZ LYS 67 -14.511 2.848 23.797 506 H SER 68 H SER 68 -11.195 5.271 21.130 507 HA SER 68 HA SER 68 -12.191 7.715 22.516 508 HB2 SER 68 1HB SER 68 -11.445 9.083 20.600 509 HB3 SER 68 2HB SER 68 -10.074 8.310 21.425 510 HG SER 68 HG SER 68 -11.320 7.536 18.997 511 H GLU 69 H GLU 69 -13.624 5.356 21.833 512 HA GLU 69 HA GLU 69 -15.210 6.091 19.438 513 HB2 GLU 69 1HB GLU 69 -16.172 3.922 19.590 514 HB3 GLU 69 2HB GLU 69 -14.450 3.698 19.919 515 HG2 GLU 69 1HG GLU 69 -15.271 4.003 22.442 516 HG3 GLU 69 2HG GLU 69 -16.807 3.453 21.755 Start of MODEL 14 1 H1 ALA 1 1H ALA 1 8.209 15.886 -8.321 2 H2 ALA 1 2H ALA 1 7.458 16.169 -6.879 3 H3 ALA 1 3H ALA 1 8.893 15.360 -6.913 4 HA ALA 1 HA ALA 1 6.339 14.398 -8.023 5 HB1 ALA 1 1HB ALA 1 7.560 12.275 -8.471 6 HB2 ALA 1 2HB ALA 1 8.295 13.626 -9.366 7 HB3 ALA 1 3HB ALA 1 9.070 13.010 -7.882 8 H TYR 2 H TYR 2 5.407 12.612 -6.839 9 HA TYR 2 HA TYR 2 5.562 12.936 -3.978 10 HB2 TYR 2 1HB TYR 2 3.505 12.251 -5.112 11 HB3 TYR 2 2HB TYR 2 4.304 10.810 -5.755 12 HD1 TYR 2 HD1 TYR 2 3.279 12.455 -2.526 13 HD2 TYR 2 HD2 TYR 2 4.318 8.778 -4.518 14 HE1 TYR 2 HE1 TYR 2 2.645 11.161 -0.488 15 HE2 TYR 2 HE2 TYR 2 3.663 7.500 -2.478 16 HH TYR 2 HH TYR 2 2.490 9.079 0.484 17 H ARG 3 H ARG 3 6.337 11.434 -2.418 18 HA ARG 3 HA ARG 3 8.091 9.243 -3.419 19 HB2 ARG 3 1HB ARG 3 8.699 11.234 -1.191 20 HB3 ARG 3 2HB ARG 3 9.583 9.723 -1.440 21 HG2 ARG 3 1HG ARG 3 10.342 10.465 -3.619 22 HG3 ARG 3 2HG ARG 3 9.412 11.968 -3.470 23 HD2 ARG 3 1HD ARG 3 11.650 11.116 -1.594 24 HD3 ARG 3 2HD ARG 3 11.842 12.242 -2.953 25 HE ARG 3 HE ARG 3 9.724 13.177 -1.315 26 HH11 ARG 3 1HH1 ARG 3 13.232 12.823 -1.122 27 HH12 ARG 3 2HH1 ARG 3 13.395 14.146 -0.000 28 HH21 ARG 3 1HH2 ARG 3 10.010 14.843 0.129 29 HH22 ARG 3 2HH2 ARG 3 11.603 15.267 0.691 30 HA PRO 4 HA PRO 4 5.352 7.220 -0.597 31 HB2 PRO 4 1HB PRO 4 6.736 4.941 0.021 32 HB3 PRO 4 2HB PRO 4 6.011 5.226 -1.591 33 HG2 PRO 4 1HG PRO 4 8.849 5.701 -0.707 34 HG3 PRO 4 2HG PRO 4 8.250 4.781 -2.128 35 HD2 PRO 4 1HD PRO 4 9.049 7.346 -2.376 36 HD3 PRO 4 2HD PRO 4 7.612 6.745 -3.269 37 H SER 5 H SER 5 8.621 8.011 0.293 38 HA SER 5 HA SER 5 9.638 8.516 2.271 39 HB2 SER 5 1HB SER 5 6.840 9.324 3.074 40 HB3 SER 5 2HB SER 5 8.375 10.001 3.666 41 HG SER 5 HG SER 5 7.065 10.329 1.204 42 H GLU 6 H GLU 6 8.959 5.783 2.170 43 HA GLU 6 HA GLU 6 7.705 4.912 4.626 44 HB2 GLU 6 1HB GLU 6 8.356 2.685 3.869 45 HB3 GLU 6 2HB GLU 6 7.644 3.616 2.546 46 HG2 GLU 6 1HG GLU 6 9.965 4.123 1.718 47 HG3 GLU 6 2HG GLU 6 10.601 3.050 2.972 48 H THR 7 H THR 7 10.418 6.562 4.448 49 HA THR 7 HA THR 7 11.700 5.065 6.674 50 HB THR 7 HB THR 7 13.888 6.056 5.847 51 HG1 THR 7 HG1 THR 7 12.870 7.506 4.342 52 HG21 THR 7 1HG2 THR 7 13.338 3.685 5.589 53 HG22 THR 7 2HG2 THR 7 14.296 4.288 4.219 54 HG23 THR 7 3HG2 THR 7 12.543 4.033 4.031 55 H LEU 8 H LEU 8 12.318 6.321 8.317 56 HA LEU 8 HA LEU 8 11.964 9.279 8.038 57 HB2 LEU 8 1HB LEU 8 10.937 7.540 10.251 58 HB3 LEU 8 2HB LEU 8 10.912 9.296 10.262 59 HG LEU 8 HG LEU 8 9.398 7.514 8.445 60 HD11 LEU 8 1HD1 LEU 8 8.459 9.142 10.712 61 HD12 LEU 8 2HD1 LEU 8 8.571 7.369 10.635 62 HD13 LEU 8 3HD1 LEU 8 7.436 8.233 9.588 63 HD21 LEU 8 1HD2 LEU 8 8.977 10.497 8.856 64 HD22 LEU 8 2HD2 LEU 8 8.313 9.479 7.554 65 HD23 LEU 8 3HD2 LEU 8 10.044 9.882 7.565 66 H CYS 9 H CYS 9 13.220 10.469 9.159 67 HA CYS 9 HA CYS 9 15.039 9.193 11.164 68 HB2 CYS 9 1HB CYS 9 15.872 10.853 8.770 69 HB3 CYS 9 2HB CYS 9 16.960 10.376 10.081 70 H GLY 10 H GLY 10 15.923 10.630 12.703 71 HA2 GLY 10 1HA GLY 10 15.921 12.501 14.055 72 HA3 GLY 10 2HA GLY 10 15.820 13.427 12.552 73 H GLY 11 H GLY 11 14.402 14.984 12.940 74 HA2 GLY 11 1HA GLY 11 12.158 14.743 14.660 75 HA3 GLY 11 2HA GLY 11 12.439 16.027 13.483 76 H GLU 12 H GLU 12 12.489 13.731 11.319 77 HA GLU 12 HA GLU 12 9.716 14.027 10.565 78 HB2 GLU 12 1HB GLU 12 11.705 11.891 9.716 79 HB3 GLU 12 2HB GLU 12 10.231 12.328 8.862 80 HG2 GLU 12 1HG GLU 12 11.145 14.453 8.219 81 HG3 GLU 12 2HG GLU 12 12.558 14.221 9.260 82 H LEU 13 H LEU 13 11.661 11.529 12.160 83 HA LEU 13 HA LEU 13 9.574 9.567 12.222 84 HB2 LEU 13 1HB LEU 13 12.035 9.146 12.360 85 HB3 LEU 13 2HB LEU 13 12.030 9.812 13.985 86 HG LEU 13 HG LEU 13 10.838 7.969 14.859 87 HD11 LEU 13 1HD1 LEU 13 9.988 6.089 13.409 88 HD12 LEU 13 2HD1 LEU 13 10.237 7.113 11.981 89 HD13 LEU 13 3HD1 LEU 13 9.085 7.595 13.242 90 HD21 LEU 13 1HD2 LEU 13 13.190 7.558 14.410 91 HD22 LEU 13 2HD2 LEU 13 12.817 7.020 12.752 92 HD23 LEU 13 3HD2 LEU 13 12.267 6.064 14.145 93 H VAL 14 H VAL 14 10.800 12.004 14.488 94 HA VAL 14 HA VAL 14 9.127 11.349 16.696 95 HB VAL 14 HB VAL 14 10.314 14.014 15.793 96 HG11 VAL 14 1HG1 VAL 14 9.981 14.710 18.203 97 HG12 VAL 14 2HG1 VAL 14 8.483 14.572 17.263 98 HG13 VAL 14 3HG1 VAL 14 8.937 13.289 18.402 99 HG21 VAL 14 1HG2 VAL 14 12.010 13.547 17.534 100 HG22 VAL 14 2HG2 VAL 14 11.218 11.995 17.890 101 HG23 VAL 14 3HG2 VAL 14 11.981 12.265 16.308 102 H ASP 15 H ASP 15 8.607 13.603 13.929 103 HA ASP 15 HA ASP 15 6.100 14.568 14.857 104 HB2 ASP 15 1HB ASP 15 7.442 15.567 13.003 105 HB3 ASP 15 2HB ASP 15 7.011 14.186 11.982 106 H THR 16 H THR 16 6.899 11.747 12.774 107 HA THR 16 HA THR 16 4.148 11.063 12.328 108 HB THR 16 HB THR 16 6.584 9.252 12.307 109 HG1 THR 16 HG1 THR 16 6.970 10.952 10.927 110 HG21 THR 16 1HG2 THR 16 5.271 8.046 10.591 111 HG22 THR 16 2HG2 THR 16 3.888 9.115 10.915 112 HG23 THR 16 3HG2 THR 16 4.494 8.021 12.184 113 H LEU 17 H LEU 17 6.498 10.081 14.865 114 HA LEU 17 HA LEU 17 4.774 8.114 16.061 115 HB2 LEU 17 1HB LEU 17 7.112 9.754 17.014 116 HB3 LEU 17 2HB LEU 17 6.207 8.742 18.142 117 HG LEU 17 HG LEU 17 7.149 7.509 15.578 118 HD11 LEU 17 1HD1 LEU 17 8.934 7.888 17.981 119 HD12 LEU 17 2HD1 LEU 17 9.091 8.729 16.421 120 HD13 LEU 17 3HD1 LEU 17 9.296 6.975 16.498 121 HD21 LEU 17 1HD2 LEU 17 7.288 5.495 16.938 122 HD22 LEU 17 2HD2 LEU 17 5.710 6.258 17.208 123 HD23 LEU 17 3HD2 LEU 17 6.995 6.429 18.424 124 H GLN 18 H GLN 18 5.112 11.630 16.522 125 HA GLN 18 HA GLN 18 3.226 11.796 18.695 126 HB2 GLN 18 1HB GLN 18 4.145 13.764 16.585 127 HB3 GLN 18 2HB GLN 18 3.041 14.208 17.896 128 HG2 GLN 18 1HG GLN 18 4.695 13.729 19.575 129 HG3 GLN 18 2HG GLN 18 5.774 12.994 18.393 130 HE21 GLN 18 1HE2 GLN 18 5.870 16.702 17.130 131 HE22 GLN 18 2HE2 GLN 18 4.686 15.500 16.675 132 H PHE 19 H PHE 19 2.882 11.691 15.146 133 HA PHE 19 HA PHE 19 0.107 12.441 15.145 134 HB2 PHE 19 1HB PHE 19 1.583 12.575 13.169 135 HB3 PHE 19 2HB PHE 19 1.690 10.814 13.126 136 HD1 PHE 19 HD1 PHE 19 -0.604 13.704 12.677 137 HD2 PHE 19 HD2 PHE 19 -0.057 9.463 12.187 138 HE1 PHE 19 HE1 PHE 19 -2.644 13.610 11.250 139 HE2 PHE 19 HE2 PHE 19 -2.094 9.358 10.760 140 HZ PHE 19 HZ PHE 19 -3.392 11.435 10.284 141 H VAL 20 H VAL 20 1.690 9.167 15.045 142 HA VAL 20 HA VAL 20 -0.903 7.893 14.894 143 HB VAL 20 HB VAL 20 0.204 5.778 15.015 144 HG11 VAL 20 1HG1 VAL 20 1.760 5.952 13.186 145 HG12 VAL 20 2HG1 VAL 20 0.437 7.114 12.930 146 HG13 VAL 20 3HG1 VAL 20 2.015 7.680 13.514 147 HG21 VAL 20 1HG2 VAL 20 2.669 7.268 15.891 148 HG22 VAL 20 2HG2 VAL 20 1.675 6.165 16.865 149 HG23 VAL 20 3HG2 VAL 20 2.558 5.537 15.485 150 H CYS 21 H CYS 21 1.149 8.890 17.551 151 HA CYS 21 HA CYS 21 -0.411 7.212 19.462 152 HB2 CYS 21 1HB CYS 21 2.021 8.935 20.003 153 HB3 CYS 21 2HB CYS 21 1.313 7.728 21.077 154 H GLY 22 H GLY 22 -0.177 10.540 18.445 155 HA2 GLY 22 1HA GLY 22 -1.302 12.399 19.227 156 HA3 GLY 22 2HA GLY 22 -2.190 11.358 20.356 157 H ASP 23 H ASP 23 -1.891 13.227 21.801 158 HA ASP 23 HA ASP 23 0.658 14.034 22.783 159 HB2 ASP 23 1HB ASP 23 -1.912 14.023 24.378 160 HB3 ASP 23 2HB ASP 23 -0.572 15.176 24.478 161 H ARG 24 H ARG 24 -0.562 10.986 23.068 162 HA ARG 24 HA ARG 24 -0.246 10.521 25.923 163 HB2 ARG 24 1HB ARG 24 -0.254 8.559 23.605 164 HB3 ARG 24 2HB ARG 24 -0.474 8.166 25.303 165 HG2 ARG 24 1HG ARG 24 -2.368 9.759 23.551 166 HG3 ARG 24 2HG ARG 24 -2.586 8.120 24.156 167 HD2 ARG 24 1HD ARG 24 -3.864 9.195 25.699 168 HD3 ARG 24 2HD ARG 24 -2.300 9.342 26.524 169 HE ARG 24 HE ARG 24 -2.618 11.569 24.786 170 HH11 ARG 24 1HH1 ARG 24 -4.041 10.352 27.774 171 HH12 ARG 24 2HH1 ARG 24 -4.479 11.948 28.322 172 HH21 ARG 24 1HH2 ARG 24 -3.210 13.570 25.541 173 HH22 ARG 24 2HH2 ARG 24 -4.012 13.737 27.079 174 H GLY 25 H GLY 25 1.900 10.754 23.251 175 HA2 GLY 25 1HA GLY 25 4.228 10.800 23.412 176 HA3 GLY 25 2HA GLY 25 4.133 10.106 25.040 177 H PHE 26 H PHE 26 6.048 9.098 23.671 178 HA PHE 26 HA PHE 26 5.223 6.377 22.935 179 HB2 PHE 26 1HB PHE 26 6.409 6.563 20.734 180 HB3 PHE 26 2HB PHE 26 4.920 7.506 20.822 181 HD1 PHE 26 HD1 PHE 26 8.595 7.691 20.632 182 HD2 PHE 26 HD2 PHE 26 4.935 9.931 20.906 183 HE1 PHE 26 HE1 PHE 26 9.825 9.778 20.030 184 HE2 PHE 26 HE2 PHE 26 6.155 12.007 20.321 185 HZ PHE 26 HZ PHE 26 8.596 11.940 19.885 186 H TYR 27 H TYR 27 7.171 5.111 22.328 187 HA TYR 27 HA TYR 27 9.540 5.967 23.963 188 HB2 TYR 27 1HB TYR 27 8.495 3.247 23.062 189 HB3 TYR 27 2HB TYR 27 10.017 3.515 23.905 190 HD1 TYR 27 HD1 TYR 27 6.343 3.195 24.310 191 HD2 TYR 27 HD2 TYR 27 10.038 4.244 26.293 192 HE1 TYR 27 HE1 TYR 27 5.281 2.844 26.536 193 HE2 TYR 27 HE2 TYR 27 8.930 3.919 28.502 194 HH TYR 27 HH TYR 27 5.524 2.911 28.790 195 H PHE 28 H PHE 28 11.652 5.623 22.918 196 HA PHE 28 HA PHE 28 11.420 5.433 19.944 197 HB2 PHE 28 1HB PHE 28 13.091 6.953 21.739 198 HB3 PHE 28 2HB PHE 28 14.103 5.811 20.881 199 HD1 PHE 28 HD1 PHE 28 11.156 7.986 19.956 200 HD2 PHE 28 HD2 PHE 28 15.147 6.688 18.995 201 HE1 PHE 28 HE1 PHE 28 11.132 9.432 17.924 202 HE2 PHE 28 HE2 PHE 28 15.137 8.150 16.973 203 HZ PHE 28 HZ PHE 28 13.121 9.515 16.429 204 H ASN 29 H ASN 29 12.683 4.092 22.880 205 HA ASN 29 HA ASN 29 13.612 1.653 21.484 206 HB2 ASN 29 1HB ASN 29 15.734 1.898 22.704 207 HB3 ASN 29 2HB ASN 29 15.463 3.259 21.636 208 HD21 ASN 29 1HD2 ASN 29 16.544 4.150 25.217 209 HD22 ASN 29 2HD2 ASN 29 16.982 2.762 24.245 210 H ARG 30 H ARG 30 11.434 2.464 23.319 211 HA ARG 30 HA ARG 30 10.388 1.679 25.237 212 HB2 ARG 30 1HB ARG 30 11.311 -0.971 24.129 213 HB3 ARG 30 2HB ARG 30 9.758 -0.505 24.815 214 HG2 ARG 30 1HG ARG 30 9.777 1.218 22.851 215 HG3 ARG 30 2HG ARG 30 10.910 0.063 22.147 216 HD2 ARG 30 1HD ARG 30 8.145 -0.720 23.168 217 HD3 ARG 30 2HD ARG 30 8.414 -0.114 21.527 218 HE ARG 30 HE ARG 30 10.134 -2.351 22.195 219 HH11 ARG 30 1HH1 ARG 30 6.923 -1.482 20.948 220 HH12 ARG 30 2HH1 ARG 30 6.745 -3.004 20.123 221 HH21 ARG 30 1HH2 ARG 30 9.795 -4.281 21.137 222 HH22 ARG 30 2HH2 ARG 30 8.329 -4.554 20.236 223 HA PRO 31 HA PRO 31 14.237 0.296 27.324 224 HB2 PRO 31 1HB PRO 31 14.911 2.386 28.990 225 HB3 PRO 31 2HB PRO 31 15.341 2.322 27.267 226 HG2 PRO 31 1HG PRO 31 13.036 3.753 28.514 227 HG3 PRO 31 2HG PRO 31 14.263 4.380 27.367 228 HD2 PRO 31 1HD PRO 31 11.841 3.495 26.520 229 HD3 PRO 31 2HD PRO 31 13.320 3.228 25.549 230 H ALA 32 H ALA 32 11.658 2.092 28.662 231 HA ALA 32 HA ALA 32 10.353 1.990 30.531 232 HB1 ALA 32 1HB ALA 32 10.994 -0.980 30.383 233 HB2 ALA 32 2HB ALA 32 9.581 -0.245 31.177 234 HB3 ALA 32 3HB ALA 32 9.759 -0.148 29.409 235 H SER 33 H SER 33 13.201 2.433 31.040 236 HA SER 33 HA SER 33 13.149 1.922 33.951 237 HB2 SER 33 1HB SER 33 15.493 1.061 33.872 238 HB3 SER 33 2HB SER 33 14.338 -0.025 33.068 239 HG SER 33 HG SER 33 15.121 0.489 31.148 240 H ARG 34 H ARG 34 14.662 3.282 35.093 241 HA ARG 34 HA ARG 34 15.568 5.632 33.486 242 HB2 ARG 34 1HB ARG 34 14.196 5.680 36.187 243 HB3 ARG 34 2HB ARG 34 14.864 7.083 35.357 244 HG2 ARG 34 1HG ARG 34 12.728 7.379 34.677 245 HG3 ARG 34 2HG ARG 34 13.171 6.208 33.424 246 HD2 ARG 34 1HD ARG 34 12.225 4.377 34.798 247 HD3 ARG 34 2HD ARG 34 11.833 5.533 36.085 248 HE ARG 34 HE ARG 34 10.597 6.461 33.730 249 HH11 ARG 34 1HH1 ARG 34 10.290 3.663 35.869 250 HH12 ARG 34 2HH1 ARG 34 8.604 3.446 35.488 251 HH21 ARG 34 1HH2 ARG 34 8.431 6.132 33.321 252 HH22 ARG 34 2HH2 ARG 34 7.576 4.820 34.083 253 H VAL 35 H VAL 35 16.836 3.170 34.761 254 HA VAL 35 HA VAL 35 18.399 4.174 36.993 255 HB VAL 35 HB VAL 35 19.495 1.971 36.914 256 HG11 VAL 35 1HG1 VAL 35 17.542 0.596 37.368 257 HG12 VAL 35 2HG1 VAL 35 17.250 2.237 37.977 258 HG13 VAL 35 3HG1 VAL 35 16.497 1.706 36.454 259 HG21 VAL 35 1HG2 VAL 35 19.665 1.635 34.470 260 HG22 VAL 35 2HG2 VAL 35 18.835 0.266 35.225 261 HG23 VAL 35 3HG2 VAL 35 17.895 1.487 34.345 262 H SER 36 H SER 36 18.744 4.381 33.647 263 HA SER 36 HA SER 36 21.662 4.995 33.914 264 HB2 SER 36 1HB SER 36 21.124 2.890 32.588 265 HB3 SER 36 2HB SER 36 20.274 3.927 31.425 266 HG SER 36 HG SER 36 22.971 3.542 31.830 267 H ARG 37 H ARG 37 22.160 6.339 31.667 268 HA ARG 37 HA ARG 37 20.752 8.831 32.089 269 HB2 ARG 37 1HB ARG 37 22.741 8.040 29.929 270 HB3 ARG 37 2HB ARG 37 22.141 9.678 30.223 271 HG2 ARG 37 1HG ARG 37 22.978 9.173 32.703 272 HG3 ARG 37 2HG ARG 37 24.054 8.042 31.863 273 HD2 ARG 37 1HD ARG 37 23.754 10.991 31.147 274 HD3 ARG 37 2HD ARG 37 24.981 10.381 32.259 275 HE ARG 37 HE ARG 37 24.876 9.975 29.326 276 HH11 ARG 37 1HH1 ARG 37 26.658 9.452 32.340 277 HH12 ARG 37 2HH1 ARG 37 28.126 9.034 31.499 278 HH21 ARG 37 1HH2 ARG 37 26.791 9.424 28.338 279 HH22 ARG 37 2HH2 ARG 37 28.195 9.020 29.285 280 H ARG 38 H ARG 38 19.644 6.208 30.478 281 HA ARG 38 HA ARG 38 17.894 5.822 29.055 282 HB2 ARG 38 1HB ARG 38 17.186 8.660 29.829 283 HB3 ARG 38 2HB ARG 38 16.089 7.511 29.058 284 HG2 ARG 38 1HG ARG 38 15.528 6.674 31.027 285 HG3 ARG 38 2HG ARG 38 17.217 6.235 31.331 286 HD2 ARG 38 1HD ARG 38 16.444 7.645 33.143 287 HD3 ARG 38 2HD ARG 38 17.638 8.536 32.189 288 HE ARG 38 HE ARG 38 15.121 9.206 31.145 289 HH11 ARG 38 1HH1 ARG 38 16.833 9.614 34.206 290 HH12 ARG 38 2HH1 ARG 38 15.995 11.096 34.586 291 HH21 ARG 38 1HH2 ARG 38 14.083 11.102 31.700 292 HH22 ARG 38 2HH2 ARG 38 14.462 11.916 33.193 293 H SER 39 H SER 39 20.315 6.867 27.842 294 HA SER 39 HA SER 39 19.765 8.690 25.764 295 HB2 SER 39 1HB SER 39 21.654 6.308 25.695 296 HB3 SER 39 2HB SER 39 21.770 7.786 24.711 297 HG SER 39 HG SER 39 22.126 8.957 26.616 298 HA PRO 40 HA PRO 40 17.119 6.153 23.280 299 HB2 PRO 40 1HB PRO 40 17.132 7.477 20.902 300 HB3 PRO 40 2HB PRO 40 16.387 8.172 22.376 301 HG2 PRO 40 1HG PRO 40 19.124 8.684 21.229 302 HG3 PRO 40 2HG PRO 40 17.883 9.864 21.757 303 HD2 PRO 40 1HD PRO 40 19.960 9.112 23.352 304 HD3 PRO 40 2HD PRO 40 18.337 9.506 24.018 305 H GLN 41 H GLN 41 18.398 4.266 23.293 306 HA GLN 41 HA GLN 41 20.470 3.896 21.263 307 HB2 GLN 41 1HB GLN 41 20.007 2.794 23.728 308 HB3 GLN 41 2HB GLN 41 19.389 1.520 22.676 309 HG2 GLN 41 1HG GLN 41 21.727 2.036 21.404 310 HG3 GLN 41 2HG GLN 41 22.182 2.548 23.035 311 HE21 GLN 41 1HE2 GLN 41 22.767 -0.711 24.076 312 HE22 GLN 41 2HE2 GLN 41 23.054 1.001 24.254 313 H ARG 42 H ARG 42 19.847 1.139 20.587 314 HA ARG 42 HA ARG 42 18.420 1.609 18.203 315 HB2 ARG 42 1HB ARG 42 18.546 -0.743 17.824 316 HB3 ARG 42 2HB ARG 42 20.050 -0.226 18.586 317 HG2 ARG 42 1HG ARG 42 19.100 -1.096 20.778 318 HG3 ARG 42 2HG ARG 42 17.764 -1.783 19.827 319 HD2 ARG 42 1HD ARG 42 19.518 -2.895 18.375 320 HD3 ARG 42 2HD ARG 42 20.729 -2.396 19.565 321 HE ARG 42 HE ARG 42 18.750 -4.537 19.804 322 HH11 ARG 42 1HH1 ARG 42 20.933 -2.454 21.671 323 HH12 ARG 42 2HH1 ARG 42 21.030 -3.607 22.976 324 HH21 ARG 42 1HH2 ARG 42 18.923 -5.919 21.524 325 HH22 ARG 42 2HH2 ARG 42 19.900 -5.509 22.905 326 H GLY 43 H GLY 43 16.416 0.969 17.432 327 HA2 GLY 43 1HA GLY 43 14.291 -0.203 18.737 328 HA3 GLY 43 2HA GLY 43 14.312 1.468 19.336 329 H ILE 44 H ILE 44 12.663 2.486 18.252 330 HA ILE 44 HA ILE 44 11.740 1.800 15.679 331 HB ILE 44 HB ILE 44 10.503 3.203 17.394 332 HG12 ILE 44 1HG1 ILE 44 9.664 4.935 15.648 333 HG13 ILE 44 2HG1 ILE 44 10.760 4.143 14.538 334 HG21 ILE 44 1HG2 ILE 44 12.114 5.558 16.324 335 HG22 ILE 44 2HG2 ILE 44 10.907 5.557 17.626 336 HG23 ILE 44 3HG2 ILE 44 12.472 4.759 17.863 337 HD11 ILE 44 1HD1 ILE 44 8.605 3.236 14.193 338 HD12 ILE 44 2HD1 ILE 44 9.577 1.986 14.999 339 HD13 ILE 44 3HD1 ILE 44 8.386 2.934 15.927 340 H VAL 45 H VAL 45 14.365 4.031 16.584 341 HA VAL 45 HA VAL 45 14.589 5.233 14.028 342 HB VAL 45 HB VAL 45 15.647 6.181 16.007 343 HG11 VAL 45 1HG1 VAL 45 17.695 5.257 16.958 344 HG12 VAL 45 2HG1 VAL 45 16.348 4.121 17.128 345 HG13 VAL 45 3HG1 VAL 45 17.589 3.856 15.872 346 HG21 VAL 45 1HG2 VAL 45 16.479 6.761 13.749 347 HG22 VAL 45 2HG2 VAL 45 17.763 6.849 14.980 348 HG23 VAL 45 3HG2 VAL 45 17.686 5.463 13.864 349 H GLU 46 H GLU 46 15.781 2.104 15.230 350 HA GLU 46 HA GLU 46 17.362 1.715 12.804 351 HB2 GLU 46 1HB GLU 46 16.530 -0.226 14.954 352 HB3 GLU 46 2HB GLU 46 17.604 -0.590 13.591 353 HG2 GLU 46 1HG GLU 46 18.858 1.585 14.548 354 HG3 GLU 46 2HG GLU 46 18.149 0.977 16.047 355 H GLU 47 H GLU 47 14.075 1.136 13.865 356 HA GLU 47 HA GLU 47 13.512 -0.757 11.726 357 HB2 GLU 47 1HB GLU 47 11.634 0.952 13.401 358 HB3 GLU 47 2HB GLU 47 11.151 -0.366 12.335 359 HG2 GLU 47 1HG GLU 47 12.838 -0.601 14.848 360 HG3 GLU 47 2HG GLU 47 11.159 -1.103 14.659 361 H CYS 48 H CYS 48 13.305 2.764 12.144 362 HA CYS 48 HA CYS 48 11.974 2.930 9.482 363 HB2 CYS 48 1HB CYS 48 12.094 4.879 11.786 364 HB3 CYS 48 2HB CYS 48 11.335 5.216 10.228 365 H CYS 49 H CYS 49 14.987 3.955 11.033 366 HA CYS 49 HA CYS 49 15.462 5.815 8.743 367 HB2 CYS 49 1HB CYS 49 15.722 6.628 11.125 368 HB3 CYS 49 2HB CYS 49 17.099 5.538 11.272 369 H PHE 50 H PHE 50 16.834 3.032 10.506 370 HA PHE 50 HA PHE 50 18.949 2.721 8.460 371 HB2 PHE 50 1HB PHE 50 18.229 1.072 10.910 372 HB3 PHE 50 2HB PHE 50 19.570 0.713 9.827 373 HD1 PHE 50 HD1 PHE 50 21.676 1.795 10.056 374 HD2 PHE 50 HD2 PHE 50 18.283 3.293 12.214 375 HE1 PHE 50 HE1 PHE 50 23.169 3.278 11.396 376 HE2 PHE 50 HE2 PHE 50 19.750 4.736 13.572 377 HZ PHE 50 HZ PHE 50 22.197 4.750 13.170 378 H ARG 51 H ARG 51 15.707 1.784 8.940 379 HA ARG 51 HA ARG 51 15.856 -0.149 6.693 380 HB2 ARG 51 1HB ARG 51 14.522 -0.727 9.375 381 HB3 ARG 51 2HB ARG 51 14.241 -1.664 7.913 382 HG2 ARG 51 1HG ARG 51 16.921 -1.395 9.288 383 HG3 ARG 51 2HG ARG 51 15.797 -2.746 9.497 384 HD2 ARG 51 1HD ARG 51 15.938 -3.221 7.063 385 HD3 ARG 51 2HD ARG 51 17.114 -1.902 6.889 386 HE ARG 51 HE ARG 51 17.994 -3.728 8.900 387 HH11 ARG 51 1HH1 ARG 51 17.735 -3.477 5.392 388 HH12 ARG 51 2HH1 ARG 51 19.053 -4.584 5.118 389 HH21 ARG 51 1HH2 ARG 51 19.672 -5.133 8.476 390 HH22 ARG 51 2HH2 ARG 51 20.125 -5.505 6.835 391 H SER 52 H SER 52 13.423 -0.709 6.201 392 HA SER 52 HA SER 52 11.973 1.869 6.021 393 HB2 SER 52 1HB SER 52 12.264 0.547 3.963 394 HB3 SER 52 2HB SER 52 11.517 -0.862 4.745 395 HG SER 52 HG SER 52 10.142 0.522 3.358 396 H CYS 53 H CYS 53 9.825 2.090 6.782 397 HA CYS 53 HA CYS 53 8.658 -0.148 8.320 398 HB2 CYS 53 1HB CYS 53 8.439 1.028 10.361 399 HB3 CYS 53 2HB CYS 53 10.132 1.156 9.896 400 H ASP 54 H ASP 54 6.493 0.791 9.341 401 HA ASP 54 HA ASP 54 5.177 2.688 7.468 402 HB2 ASP 54 1HB ASP 54 4.884 0.094 6.935 403 HB3 ASP 54 2HB ASP 54 3.769 0.151 8.310 404 H LEU 55 H LEU 55 3.010 3.314 8.473 405 HA LEU 55 HA LEU 55 3.386 4.296 11.115 406 HB2 LEU 55 1HB LEU 55 1.561 5.459 10.599 407 HB3 LEU 55 2HB LEU 55 1.580 4.590 9.054 408 HG LEU 55 HG LEU 55 -0.042 3.460 11.303 409 HD11 LEU 55 1HD1 LEU 55 -1.934 4.858 10.552 410 HD12 LEU 55 2HD1 LEU 55 -0.839 5.764 9.482 411 HD13 LEU 55 3HD1 LEU 55 -0.628 5.836 11.248 412 HD21 LEU 55 1HD2 LEU 55 -0.457 3.606 8.275 413 HD22 LEU 55 2HD2 LEU 55 -1.433 2.681 9.439 414 HD23 LEU 55 3HD2 LEU 55 0.248 2.219 9.120 415 H ALA 56 H ALA 56 2.065 1.324 9.908 416 HA ALA 56 HA ALA 56 0.586 0.564 12.200 417 HB1 ALA 56 1HB ALA 56 1.928 -1.188 10.120 418 HB2 ALA 56 2HB ALA 56 0.497 -1.584 11.111 419 HB3 ALA 56 3HB ALA 56 0.410 -0.294 9.870 420 H LEU 57 H LEU 57 3.976 -0.161 11.236 421 HA LEU 57 HA LEU 57 4.528 -1.692 13.661 422 HB2 LEU 57 1HB LEU 57 5.836 -1.994 11.610 423 HB3 LEU 57 2HB LEU 57 6.326 -0.309 11.636 424 HG LEU 57 HG LEU 57 7.967 -2.098 12.346 425 HD11 LEU 57 1HD1 LEU 57 9.163 -0.667 13.846 426 HD12 LEU 57 2HD1 LEU 57 7.702 0.270 14.161 427 HD13 LEU 57 3HD1 LEU 57 8.431 0.280 12.537 428 HD21 LEU 57 1HD2 LEU 57 6.500 -3.294 13.936 429 HD22 LEU 57 2HD2 LEU 57 6.697 -1.919 15.043 430 HD23 LEU 57 3HD2 LEU 57 8.108 -2.874 14.559 431 H LEU 58 H LEU 58 5.017 1.608 12.477 432 HA LEU 58 HA LEU 58 6.552 2.592 14.566 433 HB2 LEU 58 1HB LEU 58 6.018 3.513 12.320 434 HB3 LEU 58 2HB LEU 58 4.443 3.976 12.927 435 HG LEU 58 HG LEU 58 6.778 4.964 14.403 436 HD11 LEU 58 1HD1 LEU 58 6.000 5.899 11.622 437 HD12 LEU 58 2HD1 LEU 58 7.567 5.229 12.131 438 HD13 LEU 58 3HD1 LEU 58 7.044 6.815 12.731 439 HD21 LEU 58 1HD2 LEU 58 5.303 7.031 14.295 440 HD22 LEU 58 2HD2 LEU 58 4.639 5.631 15.151 441 HD23 LEU 58 3HD2 LEU 58 4.086 6.008 13.507 442 H GLU 59 H GLU 59 3.041 2.251 14.368 443 HA GLU 59 HA GLU 59 2.362 3.649 16.748 444 HB2 GLU 59 1HB GLU 59 0.855 3.009 14.939 445 HB3 GLU 59 2HB GLU 59 1.031 1.302 15.355 446 HG2 GLU 59 1HG GLU 59 -0.023 3.311 17.350 447 HG3 GLU 59 2HG GLU 59 -1.078 2.567 16.141 448 HE2 GLU 59 HE2 GLU 59 -1.288 2.394 18.741 449 H THR 60 H THR 60 3.697 0.405 16.330 450 HA THR 60 HA THR 60 2.853 -0.670 18.837 451 HB THR 60 HB THR 60 4.518 -2.383 18.561 452 HG1 THR 60 HG1 THR 60 5.736 -0.752 16.567 453 HG21 THR 60 1HG2 THR 60 2.728 -2.553 16.887 454 HG22 THR 60 2HG2 THR 60 4.282 -3.020 16.136 455 HG23 THR 60 3HG2 THR 60 3.575 -1.431 15.807 456 H TYR 61 H TYR 61 5.085 1.810 18.113 457 HA TYR 61 HA TYR 61 6.636 1.426 20.600 458 HB2 TYR 61 1HB TYR 61 6.893 3.094 18.127 459 HB3 TYR 61 2HB TYR 61 7.665 3.649 19.606 460 HD1 TYR 61 HD1 TYR 61 9.566 2.543 20.552 461 HD2 TYR 61 HD2 TYR 61 7.648 0.899 17.042 462 HE1 TYR 61 HE1 TYR 61 11.495 1.012 20.228 463 HE2 TYR 61 HE2 TYR 61 9.583 -0.592 16.698 464 HH TYR 61 HH TYR 61 11.591 -1.338 17.504 465 H CYS 62 H CYS 62 3.628 2.740 19.986 466 HA CYS 62 HA CYS 62 3.811 5.286 21.299 467 HB2 CYS 62 1HB CYS 62 1.515 3.303 21.133 468 HB3 CYS 62 2HB CYS 62 1.376 4.937 21.791 469 H ALA 63 H ALA 63 3.190 5.908 23.434 470 HA ALA 63 HA ALA 63 4.273 4.087 25.417 471 HB1 ALA 63 1HB ALA 63 3.765 5.928 27.002 472 HB2 ALA 63 2HB ALA 63 4.655 6.507 25.573 473 HB3 ALA 63 3HB ALA 63 2.903 6.789 25.705 474 H THR 64 H THR 64 1.138 5.229 24.427 475 HA THR 64 HA THR 64 -0.290 2.956 25.404 476 HB THR 64 HB THR 64 0.065 4.318 27.581 477 HG1 THR 64 HG1 THR 64 -1.566 2.883 27.617 478 HG21 THR 64 1HG2 THR 64 -1.939 6.130 26.247 479 HG22 THR 64 2HG2 THR 64 -0.245 6.538 26.629 480 HG23 THR 64 3HG2 THR 64 -1.399 6.211 27.937 481 HA PRO 65 HA PRO 65 -2.419 4.731 21.968 482 HB2 PRO 65 1HB PRO 65 -4.977 3.819 22.132 483 HB3 PRO 65 2HB PRO 65 -3.592 2.717 21.845 484 HG2 PRO 65 1HG PRO 65 -4.969 3.382 24.441 485 HG3 PRO 65 2HG PRO 65 -4.619 1.771 23.736 486 HD2 PRO 65 1HD PRO 65 -2.993 2.903 25.585 487 HD3 PRO 65 2HD PRO 65 -2.327 1.926 24.239 488 H ALA 66 H ALA 66 -3.925 6.295 21.190 489 HA ALA 66 HA ALA 66 -4.494 8.399 23.110 490 HB1 ALA 66 1HB ALA 66 -5.252 9.651 21.118 491 HB2 ALA 66 2HB ALA 66 -3.668 8.892 20.826 492 HB3 ALA 66 3HB ALA 66 -5.146 8.171 20.141 493 H LYS 67 H LYS 67 -6.505 9.396 23.481 494 HA LYS 67 HA LYS 67 -8.932 7.892 22.651 495 HB2 LYS 67 1HB LYS 67 -8.440 7.255 25.005 496 HB3 LYS 67 2HB LYS 67 -8.406 8.964 25.457 497 HG2 LYS 67 1HG LYS 67 -10.766 9.204 24.894 498 HG3 LYS 67 2HG LYS 67 -10.832 7.536 24.303 499 HD2 LYS 67 1HD LYS 67 -10.287 6.710 26.562 500 HD3 LYS 67 2HD LYS 67 -10.212 8.378 27.165 501 HE2 LYS 67 1HE LYS 67 -12.708 7.376 25.780 502 HE3 LYS 67 2HE LYS 67 -12.411 6.962 27.479 503 HZ1 LYS 67 1HZ LYS 67 -12.353 9.286 28.019 504 HZ2 LYS 67 2HZ LYS 67 -13.738 9.007 27.163 505 HZ3 LYS 67 3HZ LYS 67 -12.462 9.741 26.435 506 H SER 68 H SER 68 -9.832 9.313 21.311 507 HA SER 68 HA SER 68 -9.693 12.232 21.915 508 HB2 SER 68 1HB SER 68 -10.356 12.462 19.532 509 HB3 SER 68 2HB SER 68 -8.866 11.511 19.715 510 HG SER 68 HG SER 68 -11.473 10.652 19.084 511 H GLU 69 H GLU 69 -11.388 10.516 23.440 512 HA GLU 69 HA GLU 69 -14.063 11.594 22.810 513 HB2 GLU 69 1HB GLU 69 -13.483 8.621 23.217 514 HB3 GLU 69 2HB GLU 69 -15.094 9.349 23.201 515 HG2 GLU 69 1HG GLU 69 -14.718 10.060 20.848 516 HG3 GLU 69 2HG GLU 69 -13.162 9.216 20.867 Start of MODEL 15 1 H1 ALA 1 1H ALA 1 2.180 0.455 -0.917 2 H2 ALA 1 2H ALA 1 3.763 0.190 -0.531 3 H3 ALA 1 3H ALA 1 3.078 1.656 -0.225 4 HA ALA 1 HA ALA 1 3.566 0.497 -2.893 5 HB1 ALA 1 1HB ALA 1 2.415 3.233 -2.118 6 HB2 ALA 1 2HB ALA 1 2.780 2.692 -3.772 7 HB3 ALA 1 3HB ALA 1 1.492 1.889 -2.843 8 H TYR 2 H TYR 2 5.263 1.613 -4.097 9 HA TYR 2 HA TYR 2 7.588 2.128 -2.523 10 HB2 TYR 2 1HB TYR 2 7.765 1.353 -4.819 11 HB3 TYR 2 2HB TYR 2 6.879 2.767 -5.413 12 HD1 TYR 2 HD1 TYR 2 10.050 1.810 -3.616 13 HD2 TYR 2 HD2 TYR 2 8.038 4.741 -6.051 14 HE1 TYR 2 HE1 TYR 2 12.170 3.097 -3.832 15 HE2 TYR 2 HE2 TYR 2 10.176 6.016 -6.263 16 HH TYR 2 HH TYR 2 13.159 5.008 -4.599 17 H ARG 3 H ARG 3 8.621 4.004 -1.894 18 HA ARG 3 HA ARG 3 7.288 6.597 -2.552 19 HB2 ARG 3 1HB ARG 3 8.373 5.607 0.121 20 HB3 ARG 3 2HB ARG 3 8.014 7.299 -0.217 21 HG2 ARG 3 1HG ARG 3 5.659 6.801 -0.498 22 HG3 ARG 3 2HG ARG 3 5.966 5.066 -0.260 23 HD2 ARG 3 1HD ARG 3 6.731 5.441 1.998 24 HD3 ARG 3 2HD ARG 3 6.695 7.194 1.785 25 HE ARG 3 HE ARG 3 4.413 5.397 2.258 26 HH11 ARG 3 1HH1 ARG 3 5.444 8.682 1.468 27 HH12 ARG 3 2HH1 ARG 3 3.910 9.375 1.923 28 HH21 ARG 3 1HH2 ARG 3 2.482 6.354 2.815 29 HH22 ARG 3 2HH2 ARG 3 2.266 8.077 2.671 30 HA PRO 4 HA PRO 4 11.635 7.409 -3.348 31 HB2 PRO 4 1HB PRO 4 11.841 10.089 -2.883 32 HB3 PRO 4 2HB PRO 4 11.001 9.438 -4.327 33 HG2 PRO 4 1HG PRO 4 9.823 10.363 -1.715 34 HG3 PRO 4 2HG PRO 4 9.346 10.807 -3.385 35 HD2 PRO 4 1HD PRO 4 8.041 8.881 -1.978 36 HD3 PRO 4 2HD PRO 4 8.291 8.741 -3.752 37 H SER 5 H SER 5 9.932 8.088 -0.433 38 HA SER 5 HA SER 5 12.279 7.442 1.192 39 HB2 SER 5 1HB SER 5 10.673 9.981 1.708 40 HB3 SER 5 2HB SER 5 12.059 9.382 2.644 41 HG SER 5 HG SER 5 12.978 9.481 0.248 42 H GLU 6 H GLU 6 11.237 5.554 1.836 43 HA GLU 6 HA GLU 6 8.680 5.894 3.369 44 HB2 GLU 6 1HB GLU 6 8.649 3.400 3.390 45 HB3 GLU 6 2HB GLU 6 8.488 4.107 1.789 46 HG2 GLU 6 1HG GLU 6 11.171 3.241 2.805 47 HG3 GLU 6 2HG GLU 6 10.029 2.063 2.138 48 H THR 7 H THR 7 11.635 6.574 3.928 49 HA THR 7 HA THR 7 11.844 5.180 6.556 50 HB THR 7 HB THR 7 14.248 6.019 6.472 51 HG1 THR 7 HG1 THR 7 14.970 6.586 4.340 52 HG21 THR 7 1HG2 THR 7 13.470 4.216 4.153 53 HG22 THR 7 2HG2 THR 7 13.630 3.693 5.848 54 HG23 THR 7 3HG2 THR 7 15.049 4.296 4.971 55 H LEU 8 H LEU 8 12.432 6.486 8.339 56 HA LEU 8 HA LEU 8 11.890 9.414 7.998 57 HB2 LEU 8 1HB LEU 8 10.985 7.644 10.257 58 HB3 LEU 8 2HB LEU 8 10.821 9.388 10.205 59 HG LEU 8 HG LEU 8 9.469 7.465 8.410 60 HD11 LEU 8 1HD1 LEU 8 8.662 7.229 10.612 61 HD12 LEU 8 2HD1 LEU 8 7.449 8.012 9.589 62 HD13 LEU 8 3HD1 LEU 8 8.410 8.986 10.715 63 HD21 LEU 8 1HD2 LEU 8 9.865 9.800 7.461 64 HD22 LEU 8 2HD2 LEU 8 8.908 10.425 8.833 65 HD23 LEU 8 3HD2 LEU 8 8.150 9.366 7.620 66 H CYS 9 H CYS 9 13.070 10.700 9.142 67 HA CYS 9 HA CYS 9 14.666 9.809 11.421 68 HB2 CYS 9 1HB CYS 9 15.753 9.223 8.933 69 HB3 CYS 9 2HB CYS 9 16.513 10.767 9.325 70 H GLY 10 H GLY 10 16.396 11.660 11.890 71 HA2 GLY 10 1HA GLY 10 16.807 13.900 12.267 72 HA3 GLY 10 2HA GLY 10 16.150 14.147 10.661 73 H GLY 11 H GLY 11 14.110 12.894 13.125 74 HA2 GLY 11 1HA GLY 11 12.657 14.170 14.569 75 HA3 GLY 11 2HA GLY 11 12.899 15.579 13.536 76 H GLU 12 H GLU 12 12.446 13.658 11.100 77 HA GLU 12 HA GLU 12 9.628 14.140 10.761 78 HB2 GLU 12 1HB GLU 12 11.338 11.945 9.540 79 HB3 GLU 12 2HB GLU 12 9.791 12.502 8.915 80 HG2 GLU 12 1HG GLU 12 10.712 14.535 8.138 81 HG3 GLU 12 2HG GLU 12 12.181 14.340 9.103 82 H LEU 13 H LEU 13 11.578 11.493 11.990 83 HA LEU 13 HA LEU 13 9.556 9.527 12.198 84 HB2 LEU 13 1HB LEU 13 12.034 9.218 12.290 85 HB3 LEU 13 2HB LEU 13 12.039 9.901 13.906 86 HG LEU 13 HG LEU 13 10.982 8.000 14.834 87 HD11 LEU 13 1HD1 LEU 13 10.374 7.070 11.981 88 HD12 LEU 13 2HD1 LEU 13 9.212 7.532 13.242 89 HD13 LEU 13 3HD1 LEU 13 10.186 6.073 13.438 90 HD21 LEU 13 1HD2 LEU 13 12.524 6.198 14.116 91 HD22 LEU 13 2HD2 LEU 13 13.365 7.761 14.258 92 HD23 LEU 13 3HD2 LEU 13 12.929 7.124 12.652 93 H VAL 14 H VAL 14 10.711 12.008 14.484 94 HA VAL 14 HA VAL 14 9.055 11.230 16.689 95 HB VAL 14 HB VAL 14 10.366 13.880 15.908 96 HG11 VAL 14 1HG1 VAL 14 8.429 14.499 17.253 97 HG12 VAL 14 2HG1 VAL 14 8.819 13.252 18.452 98 HG13 VAL 14 3HG1 VAL 14 9.890 14.650 18.246 99 HG21 VAL 14 1HG2 VAL 14 11.864 12.006 16.570 100 HG22 VAL 14 2HG2 VAL 14 11.912 13.347 17.732 101 HG23 VAL 14 3HG2 VAL 14 10.986 11.877 18.115 102 H ASP 15 H ASP 15 8.596 13.558 13.978 103 HA ASP 15 HA ASP 15 6.073 14.483 14.908 104 HB2 ASP 15 1HB ASP 15 7.435 15.580 13.135 105 HB3 ASP 15 2HB ASP 15 7.028 14.248 12.041 106 H THR 16 H THR 16 6.911 11.697 12.812 107 HA THR 16 HA THR 16 4.162 11.040 12.276 108 HB THR 16 HB THR 16 6.574 9.189 12.342 109 HG1 THR 16 HG1 THR 16 6.910 10.995 10.984 110 HG21 THR 16 1HG2 THR 16 4.446 7.995 12.176 111 HG22 THR 16 2HG2 THR 16 5.289 7.967 10.615 112 HG23 THR 16 3HG2 THR 16 3.920 9.074 10.861 113 H LEU 17 H LEU 17 6.443 10.051 14.871 114 HA LEU 17 HA LEU 17 4.665 8.141 16.074 115 HB2 LEU 17 1HB LEU 17 7.009 9.752 17.069 116 HB3 LEU 17 2HB LEU 17 6.082 8.715 18.149 117 HG LEU 17 HG LEU 17 7.073 7.513 15.601 118 HD11 LEU 17 1HD1 LEU 17 9.016 8.745 16.479 119 HD12 LEU 17 2HD1 LEU 17 9.222 6.989 16.506 120 HD13 LEU 17 3HD1 LEU 17 8.856 7.861 18.015 121 HD21 LEU 17 1HD2 LEU 17 7.223 5.503 16.976 122 HD22 LEU 17 2HD2 LEU 17 5.634 6.252 17.217 123 HD23 LEU 17 3HD2 LEU 17 6.899 6.445 18.450 124 H GLN 18 H GLN 18 5.027 11.662 16.451 125 HA GLN 18 HA GLN 18 3.081 11.922 18.578 126 HB2 GLN 18 1HB GLN 18 4.080 13.848 16.452 127 HB3 GLN 18 2HB GLN 18 2.980 14.315 17.751 128 HG2 GLN 18 1HG GLN 18 4.630 13.872 19.429 129 HG3 GLN 18 2HG GLN 18 5.712 13.118 18.258 130 HE21 GLN 18 1HE2 GLN 18 6.352 16.859 19.039 131 HE22 GLN 18 2HE2 GLN 18 5.659 15.648 20.091 132 H PHE 19 H PHE 19 2.811 11.498 15.082 133 HA PHE 19 HA PHE 19 0.079 12.507 14.987 134 HB2 PHE 19 1HB PHE 19 1.627 12.579 13.051 135 HB3 PHE 19 2HB PHE 19 1.629 10.814 12.995 136 HD1 PHE 19 HD1 PHE 19 -0.220 9.571 12.066 137 HD2 PHE 19 HD2 PHE 19 -0.440 13.849 12.476 138 HE1 PHE 19 HE1 PHE 19 -2.244 9.599 10.617 139 HE2 PHE 19 HE2 PHE 19 -2.467 13.889 11.028 140 HZ PHE 19 HZ PHE 19 -3.375 11.761 10.094 141 H VAL 20 H VAL 20 1.582 9.225 15.020 142 HA VAL 20 HA VAL 20 -0.963 7.929 14.642 143 HB VAL 20 HB VAL 20 0.205 5.821 15.024 144 HG11 VAL 20 1HG1 VAL 20 0.513 7.016 12.892 145 HG12 VAL 20 2HG1 VAL 20 2.001 7.729 13.541 146 HG13 VAL 20 3HG1 VAL 20 1.884 5.968 13.322 147 HG21 VAL 20 1HG2 VAL 20 2.561 7.499 15.932 148 HG22 VAL 20 2HG2 VAL 20 1.543 6.500 16.983 149 HG23 VAL 20 3HG2 VAL 20 2.526 5.737 15.736 150 H CYS 21 H CYS 21 0.584 9.146 17.458 151 HA CYS 21 HA CYS 21 -1.537 7.846 19.128 152 HB2 CYS 21 1HB CYS 21 1.436 7.873 19.626 153 HB3 CYS 21 2HB CYS 21 0.279 7.664 20.951 154 H GLY 22 H GLY 22 -0.512 10.794 18.164 155 HA2 GLY 22 1HA GLY 22 -1.106 12.861 18.984 156 HA3 GLY 22 2HA GLY 22 -1.956 12.047 20.303 157 H ASP 23 H ASP 23 -1.271 13.752 21.637 158 HA ASP 23 HA ASP 23 1.551 14.159 22.227 159 HB2 ASP 23 1HB ASP 23 0.766 15.754 23.833 160 HB3 ASP 23 2HB ASP 23 -0.260 15.919 22.399 161 H ARG 24 H ARG 24 -0.418 11.618 22.888 162 HA ARG 24 HA ARG 24 -0.144 11.285 25.722 163 HB2 ARG 24 1HB ARG 24 -0.539 9.196 23.559 164 HB3 ARG 24 2HB ARG 24 -0.832 8.966 25.282 165 HG2 ARG 24 1HG ARG 24 -2.355 10.941 23.514 166 HG3 ARG 24 2HG ARG 24 -2.909 9.319 23.943 167 HD2 ARG 24 1HD ARG 24 -3.989 10.415 25.598 168 HD3 ARG 24 2HD ARG 24 -2.432 10.251 26.427 169 HE ARG 24 HE ARG 24 -2.434 12.683 24.903 170 HH11 ARG 24 1HH1 ARG 24 -3.976 11.347 27.792 171 HH12 ARG 24 2HH1 ARG 24 -4.179 12.920 28.515 172 HH21 ARG 24 1HH2 ARG 24 -2.683 14.636 25.903 173 HH22 ARG 24 2HH2 ARG 24 -3.477 14.744 27.458 174 H GLY 25 H GLY 25 2.120 10.851 23.175 175 HA2 GLY 25 1HA GLY 25 4.419 10.675 23.649 176 HA3 GLY 25 2HA GLY 25 4.051 9.939 25.205 177 H PHE 26 H PHE 26 6.081 8.985 23.767 178 HA PHE 26 HA PHE 26 5.278 6.244 23.148 179 HB2 PHE 26 1HB PHE 26 6.411 6.383 20.880 180 HB3 PHE 26 2HB PHE 26 4.834 7.170 20.991 181 HD1 PHE 26 HD1 PHE 26 4.560 9.536 20.754 182 HD2 PHE 26 HD2 PHE 26 8.491 7.776 20.789 183 HE1 PHE 26 HE1 PHE 26 5.529 11.685 19.990 184 HE2 PHE 26 HE2 PHE 26 9.466 9.927 20.007 185 HZ PHE 26 HZ PHE 26 7.987 11.885 19.611 186 H TYR 27 H TYR 27 7.209 4.947 22.602 187 HA TYR 27 HA TYR 27 9.599 5.883 24.135 188 HB2 TYR 27 1HB TYR 27 8.707 3.158 23.097 189 HB3 TYR 27 2HB TYR 27 10.213 3.462 23.961 190 HD1 TYR 27 HD1 TYR 27 10.200 4.046 26.384 191 HD2 TYR 27 HD2 TYR 27 6.543 3.019 24.315 192 HE1 TYR 27 HE1 TYR 27 9.056 3.653 28.565 193 HE2 TYR 27 HE2 TYR 27 5.445 2.606 26.505 194 HH TYR 27 HH TYR 27 7.106 3.065 29.619 195 H PHE 28 H PHE 28 11.769 5.136 23.028 196 HA PHE 28 HA PHE 28 11.442 5.312 20.054 197 HB2 PHE 28 1HB PHE 28 12.923 7.037 21.754 198 HB3 PHE 28 2HB PHE 28 14.105 5.994 20.977 199 HD1 PHE 28 HD1 PHE 28 14.903 6.584 18.847 200 HD2 PHE 28 HD2 PHE 28 11.081 8.079 20.151 201 HE1 PHE 28 HE1 PHE 28 14.741 7.970 16.780 202 HE2 PHE 28 HE2 PHE 28 10.909 9.453 18.083 203 HZ PHE 28 HZ PHE 28 12.734 9.396 16.389 204 H ASN 29 H ASN 29 13.260 4.109 22.858 205 HA ASN 29 HA ASN 29 13.746 1.605 21.347 206 HB2 ASN 29 1HB ASN 29 15.996 1.569 22.419 207 HB3 ASN 29 2HB ASN 29 15.805 2.780 21.169 208 HD21 ASN 29 1HD2 ASN 29 17.602 4.564 23.718 209 HD22 ASN 29 2HD2 ASN 29 17.852 3.358 22.479 210 H ARG 30 H ARG 30 11.859 2.512 23.439 211 HA ARG 30 HA ARG 30 10.928 1.690 25.401 212 HB2 ARG 30 1HB ARG 30 11.817 -0.980 24.319 213 HB3 ARG 30 2HB ARG 30 10.305 -0.537 25.113 214 HG2 ARG 30 1HG ARG 30 10.081 1.065 23.039 215 HG3 ARG 30 2HG ARG 30 11.222 -0.085 22.324 216 HD2 ARG 30 1HD ARG 30 8.500 -0.727 23.527 217 HD3 ARG 30 2HD ARG 30 8.883 -0.657 21.797 218 HE ARG 30 HE ARG 30 10.622 -2.515 23.108 219 HH11 ARG 30 1HH1 ARG 30 7.266 -2.233 22.024 220 HH12 ARG 30 2HH1 ARG 30 7.070 -3.959 21.890 221 HH21 ARG 30 1HH2 ARG 30 10.294 -4.707 22.906 222 HH22 ARG 30 2HH2 ARG 30 8.758 -5.330 22.366 223 HA PRO 31 HA PRO 31 15.025 0.461 27.100 224 HB2 PRO 31 1HB PRO 31 15.805 2.577 28.665 225 HB3 PRO 31 2HB PRO 31 16.009 2.532 26.900 226 HG2 PRO 31 1HG PRO 31 13.836 3.857 28.457 227 HG3 PRO 31 2HG PRO 31 14.857 4.530 27.146 228 HD2 PRO 31 1HD PRO 31 12.364 3.532 26.675 229 HD3 PRO 31 2HD PRO 31 13.688 3.361 25.483 230 H ALA 32 H ALA 32 12.557 2.148 28.796 231 HA ALA 32 HA ALA 32 11.519 1.961 30.813 232 HB1 ALA 32 1HB ALA 32 12.332 -0.968 30.624 233 HB2 ALA 32 2HB ALA 32 11.002 -0.302 31.600 234 HB3 ALA 32 3HB ALA 32 10.914 -0.248 29.824 235 H SER 33 H SER 33 14.390 2.569 30.826 236 HA SER 33 HA SER 33 14.811 2.359 33.715 237 HB2 SER 33 1HB SER 33 17.039 1.309 33.474 238 HB3 SER 33 2HB SER 33 15.760 0.217 32.906 239 HG SER 33 HG SER 33 16.324 0.585 30.840 240 H ARG 34 H ARG 34 16.820 3.625 34.287 241 HA ARG 34 HA ARG 34 17.602 5.597 32.193 242 HB2 ARG 34 1HB ARG 34 17.369 7.429 33.809 243 HB3 ARG 34 2HB ARG 34 15.817 6.661 33.475 244 HG2 ARG 34 1HG ARG 34 15.727 5.629 35.613 245 HG3 ARG 34 2HG ARG 34 17.454 5.892 35.904 246 HD2 ARG 34 1HD ARG 34 16.232 7.482 37.237 247 HD3 ARG 34 2HD ARG 34 17.066 8.342 35.938 248 HE ARG 34 HE ARG 34 15.010 8.823 34.902 249 HH11 ARG 34 1HH1 ARG 34 14.463 6.914 37.828 250 HH12 ARG 34 2HH1 ARG 34 12.765 7.300 37.868 251 HH21 ARG 34 1HH2 ARG 34 12.837 9.267 35.027 252 HH22 ARG 34 2HH2 ARG 34 11.866 8.603 36.311 253 H VAL 35 H VAL 35 18.916 3.234 33.327 254 HA VAL 35 HA VAL 35 20.699 4.016 35.425 255 HB VAL 35 HB VAL 35 21.911 1.921 34.933 256 HG11 VAL 35 1HG1 VAL 35 18.900 1.521 34.702 257 HG12 VAL 35 2HG1 VAL 35 20.085 0.363 35.337 258 HG13 VAL 35 3HG1 VAL 35 19.770 1.874 36.214 259 HG21 VAL 35 1HG2 VAL 35 20.099 1.704 32.470 260 HG22 VAL 35 2HG2 VAL 35 21.862 1.970 32.461 261 HG23 VAL 35 3HG2 VAL 35 21.199 0.443 33.069 262 H SER 36 H SER 36 20.856 4.465 31.968 263 HA SER 36 HA SER 36 23.184 6.151 32.301 264 HB2 SER 36 1HB SER 36 24.707 4.984 30.849 265 HB3 SER 36 2HB SER 36 24.205 3.815 32.087 266 HG SER 36 HG SER 36 22.778 2.915 30.604 267 H ARG 37 H ARG 37 23.653 7.215 30.150 268 HA ARG 37 HA ARG 37 21.218 7.215 28.433 269 HB2 ARG 37 1HB ARG 37 22.032 9.255 27.476 270 HB3 ARG 37 2HB ARG 37 22.079 9.397 29.233 271 HG2 ARG 37 1HG ARG 37 24.522 9.059 29.216 272 HG3 ARG 37 2HG ARG 37 24.487 8.853 27.449 273 HD2 ARG 37 1HD ARG 37 23.490 11.139 27.241 274 HD3 ARG 37 2HD ARG 37 23.648 11.340 28.991 275 HE ARG 37 HE ARG 37 25.945 11.651 28.769 276 HH11 ARG 37 1HH1 ARG 37 24.626 10.715 25.619 277 HH12 ARG 37 2HH1 ARG 37 26.079 11.183 24.777 278 HH21 ARG 37 1HH2 ARG 37 27.763 12.210 27.617 279 HH22 ARG 37 2HH2 ARG 37 27.817 12.005 25.887 280 H ARG 38 H ARG 38 23.646 5.231 28.652 281 HA ARG 38 HA ARG 38 24.738 5.351 25.911 282 HB2 ARG 38 1HB ARG 38 25.059 3.298 28.143 283 HB3 ARG 38 2HB ARG 38 25.880 3.236 26.581 284 HG2 ARG 38 1HG ARG 38 26.967 5.427 27.101 285 HG3 ARG 38 2HG ARG 38 26.237 5.366 28.720 286 HD2 ARG 38 1HD ARG 38 27.386 3.199 29.137 287 HD3 ARG 38 2HD ARG 38 28.128 3.296 27.528 288 HE ARG 38 HE ARG 38 28.749 5.672 28.967 289 HH11 ARG 38 1HH1 ARG 38 29.601 2.243 28.991 290 HH12 ARG 38 2HH1 ARG 38 31.162 2.543 29.703 291 HH21 ARG 38 1HH2 ARG 38 30.767 5.971 29.871 292 HH22 ARG 38 2HH2 ARG 38 31.806 4.611 30.184 293 H SER 39 H SER 39 22.403 3.540 27.807 294 HA SER 39 HA SER 39 21.287 1.528 27.201 295 HB2 SER 39 1HB SER 39 20.005 3.796 25.666 296 HB3 SER 39 2HB SER 39 19.200 2.353 26.333 297 HG SER 39 HG SER 39 18.972 4.020 27.802 298 HA PRO 40 HA PRO 40 22.634 0.532 22.895 299 HB2 PRO 40 1HB PRO 40 23.862 -1.845 23.364 300 HB3 PRO 40 2HB PRO 40 24.671 -0.285 23.709 301 HG2 PRO 40 1HG PRO 40 23.177 -2.089 25.603 302 HG3 PRO 40 2HG PRO 40 24.820 -1.395 25.771 303 HD2 PRO 40 1HD PRO 40 22.631 -0.259 26.924 304 HD3 PRO 40 2HD PRO 40 23.999 0.725 26.294 305 H GLN 41 H GLN 41 20.153 0.486 23.066 306 HA GLN 41 HA GLN 41 19.151 -2.318 22.771 307 HB2 GLN 41 1HB GLN 41 17.918 0.150 24.056 308 HB3 GLN 41 2HB GLN 41 16.984 -1.270 23.604 309 HG2 GLN 41 1HG GLN 41 18.125 -2.650 25.183 310 HG3 GLN 41 2HG GLN 41 19.339 -1.400 25.493 311 HE21 GLN 41 1HE2 GLN 41 15.971 -1.476 27.657 312 HE22 GLN 41 2HE2 GLN 41 16.432 -2.742 26.544 313 H ARG 42 H ARG 42 18.126 -2.627 20.829 314 HA ARG 42 HA ARG 42 18.277 -0.536 18.880 315 HB2 ARG 42 1HB ARG 42 17.262 -1.979 17.346 316 HB3 ARG 42 2HB ARG 42 18.319 -2.984 18.327 317 HG2 ARG 42 1HG ARG 42 16.434 -3.993 19.411 318 HG3 ARG 42 2HG ARG 42 15.329 -2.757 18.756 319 HD2 ARG 42 1HD ARG 42 15.933 -3.475 16.454 320 HD3 ARG 42 2HD ARG 42 16.878 -4.809 17.142 321 HE ARG 42 HE ARG 42 14.436 -5.193 18.286 322 HH11 ARG 42 1HH1 ARG 42 15.333 -4.675 14.911 323 HH12 ARG 42 2HH1 ARG 42 13.965 -5.572 14.315 324 HH21 ARG 42 1HH2 ARG 42 12.729 -6.359 17.440 325 HH22 ARG 42 2HH2 ARG 42 12.531 -6.509 15.716 326 H GLY 43 H GLY 43 16.544 0.488 17.724 327 HA2 GLY 43 1HA GLY 43 14.009 0.655 19.255 328 HA3 GLY 43 2HA GLY 43 14.970 2.117 19.055 329 H ILE 44 H ILE 44 12.755 2.664 18.225 330 HA ILE 44 HA ILE 44 11.792 1.758 15.725 331 HB ILE 44 HB ILE 44 10.523 3.179 17.385 332 HG12 ILE 44 1HG1 ILE 44 9.606 4.842 15.647 333 HG13 ILE 44 2HG1 ILE 44 10.750 4.134 14.527 334 HG21 ILE 44 1HG2 ILE 44 12.105 5.541 16.284 335 HG22 ILE 44 2HG2 ILE 44 10.864 5.558 17.557 336 HG23 ILE 44 3HG2 ILE 44 12.430 4.787 17.856 337 HD11 ILE 44 1HD1 ILE 44 8.470 2.742 15.919 338 HD12 ILE 44 2HD1 ILE 44 8.630 3.107 14.192 339 HD13 ILE 44 3HD1 ILE 44 9.699 1.903 14.938 340 H VAL 45 H VAL 45 14.347 4.057 16.534 341 HA VAL 45 HA VAL 45 14.639 5.179 13.951 342 HB VAL 45 HB VAL 45 15.669 6.180 15.909 343 HG11 VAL 45 1HG1 VAL 45 17.669 5.234 16.973 344 HG12 VAL 45 2HG1 VAL 45 16.256 4.187 17.178 345 HG13 VAL 45 3HG1 VAL 45 17.513 3.770 15.981 346 HG21 VAL 45 1HG2 VAL 45 17.845 6.747 14.966 347 HG22 VAL 45 2HG2 VAL 45 17.794 5.317 13.912 348 HG23 VAL 45 3HG2 VAL 45 16.628 6.639 13.674 349 H GLU 46 H GLU 46 15.802 2.049 15.249 350 HA GLU 46 HA GLU 46 17.427 1.564 12.881 351 HB2 GLU 46 1HB GLU 46 16.315 -0.474 14.820 352 HB3 GLU 46 2HB GLU 46 17.636 -0.676 13.659 353 HG2 GLU 46 1HG GLU 46 18.795 1.233 14.951 354 HG3 GLU 46 2HG GLU 46 17.582 0.920 16.211 355 H GLU 47 H GLU 47 14.084 1.130 13.831 356 HA GLU 47 HA GLU 47 13.563 -0.810 11.702 357 HB2 GLU 47 1HB GLU 47 11.544 0.783 13.318 358 HB3 GLU 47 2HB GLU 47 11.263 -0.702 12.410 359 HG2 GLU 47 1HG GLU 47 12.922 -0.418 14.942 360 HG3 GLU 47 2HG GLU 47 11.323 -1.139 14.819 361 H CYS 48 H CYS 48 13.256 2.687 12.172 362 HA CYS 48 HA CYS 48 11.895 2.892 9.532 363 HB2 CYS 48 1HB CYS 48 11.997 4.801 11.875 364 HB3 CYS 48 2HB CYS 48 11.160 5.105 10.349 365 H CYS 49 H CYS 49 14.957 3.779 11.001 366 HA CYS 49 HA CYS 49 15.337 5.757 8.778 367 HB2 CYS 49 1HB CYS 49 15.652 6.607 11.106 368 HB3 CYS 49 2HB CYS 49 16.987 5.470 11.301 369 H PHE 50 H PHE 50 16.953 3.093 10.564 370 HA PHE 50 HA PHE 50 18.991 2.824 8.481 371 HB2 PHE 50 1HB PHE 50 18.246 1.093 10.862 372 HB3 PHE 50 2HB PHE 50 19.579 0.737 9.764 373 HD1 PHE 50 HD1 PHE 50 18.360 3.172 12.311 374 HD2 PHE 50 HD2 PHE 50 21.680 1.894 9.908 375 HE1 PHE 50 HE1 PHE 50 19.862 4.580 13.677 376 HE2 PHE 50 HE2 PHE 50 23.203 3.334 11.261 377 HZ PHE 50 HZ PHE 50 22.284 4.683 13.155 378 H ARG 51 H ARG 51 15.777 1.704 9.006 379 HA ARG 51 HA ARG 51 15.869 0.136 6.500 380 HB2 ARG 51 1HB ARG 51 14.730 -0.900 9.138 381 HB3 ARG 51 2HB ARG 51 14.367 -1.605 7.562 382 HG2 ARG 51 1HG ARG 51 17.117 -1.446 8.785 383 HG3 ARG 51 2HG ARG 51 16.071 -2.872 8.809 384 HD2 ARG 51 1HD ARG 51 16.103 -2.946 6.341 385 HD3 ARG 51 2HD ARG 51 17.120 -1.493 6.304 386 HE ARG 51 HE ARG 51 18.345 -3.536 7.896 387 HH11 ARG 51 1HH1 ARG 51 17.813 -2.608 4.535 388 HH12 ARG 51 2HH1 ARG 51 19.234 -3.451 3.977 389 HH21 ARG 51 1HH2 ARG 51 20.147 -4.589 7.111 390 HH22 ARG 51 2HH2 ARG 51 20.527 -4.552 5.412 391 H SER 52 H SER 52 13.421 -0.391 6.035 392 HA SER 52 HA SER 52 11.985 2.159 6.311 393 HB2 SER 52 1HB SER 52 11.353 -0.356 4.725 394 HB3 SER 52 2HB SER 52 10.614 1.238 4.530 395 HG SER 52 HG SER 52 12.435 1.995 3.625 396 H CYS 53 H CYS 53 9.797 2.256 7.038 397 HA CYS 53 HA CYS 53 8.657 -0.168 8.329 398 HB2 CYS 53 1HB CYS 53 8.358 0.857 10.440 399 HB3 CYS 53 2HB CYS 53 10.058 1.075 10.028 400 H ASP 54 H ASP 54 6.403 0.298 9.053 401 HA ASP 54 HA ASP 54 5.088 2.377 7.342 402 HB2 ASP 54 1HB ASP 54 4.434 -0.465 8.002 403 HB3 ASP 54 2HB ASP 54 3.081 0.674 7.999 404 H LEU 55 H LEU 55 3.053 3.221 8.353 405 HA LEU 55 HA LEU 55 3.540 4.303 10.920 406 HB2 LEU 55 1HB LEU 55 1.720 5.502 10.496 407 HB3 LEU 55 2HB LEU 55 1.741 4.690 8.928 408 HG LEU 55 HG LEU 55 0.030 3.603 11.141 409 HD11 LEU 55 1HD1 LEU 55 -0.649 5.850 9.204 410 HD12 LEU 55 2HD1 LEU 55 -0.491 5.990 10.972 411 HD13 LEU 55 3HD1 LEU 55 -1.797 5.014 10.277 412 HD21 LEU 55 1HD2 LEU 55 -0.252 3.636 8.094 413 HD22 LEU 55 2HD2 LEU 55 -1.315 2.797 9.248 414 HD23 LEU 55 3HD2 LEU 55 0.359 2.262 9.035 415 H ALA 56 H ALA 56 2.062 1.320 9.968 416 HA ALA 56 HA ALA 56 0.660 0.834 12.419 417 HB1 ALA 56 1HB ALA 56 1.592 -1.105 10.278 418 HB2 ALA 56 2HB ALA 56 0.242 -1.321 11.427 419 HB3 ALA 56 3HB ALA 56 0.151 -0.066 10.151 420 H LEU 57 H LEU 57 3.856 -0.111 11.127 421 HA LEU 57 HA LEU 57 4.628 -1.774 13.363 422 HB2 LEU 57 1HB LEU 57 5.691 -1.758 11.102 423 HB3 LEU 57 2HB LEU 57 6.302 -0.143 11.400 424 HG LEU 57 HG LEU 57 7.136 -2.502 13.093 425 HD11 LEU 57 1HD1 LEU 57 9.078 -2.736 11.609 426 HD12 LEU 57 2HD1 LEU 57 8.426 -1.475 10.540 427 HD13 LEU 57 3HD1 LEU 57 7.565 -3.020 10.729 428 HD21 LEU 57 1HD2 LEU 57 7.771 -0.383 14.089 429 HD22 LEU 57 2HD2 LEU 57 8.437 0.190 12.545 430 HD23 LEU 57 3HD2 LEU 57 9.206 -1.156 13.415 431 H LEU 58 H LEU 58 4.984 1.635 12.444 432 HA LEU 58 HA LEU 58 6.590 2.473 14.554 433 HB2 LEU 58 1HB LEU 58 6.128 3.489 12.355 434 HB3 LEU 58 2HB LEU 58 4.528 3.929 12.911 435 HG LEU 58 HG LEU 58 6.780 4.910 14.513 436 HD11 LEU 58 1HD1 LEU 58 7.136 6.786 12.892 437 HD12 LEU 58 2HD1 LEU 58 6.162 5.889 11.708 438 HD13 LEU 58 3HD1 LEU 58 7.697 5.213 12.295 439 HD21 LEU 58 1HD2 LEU 58 4.564 5.565 15.125 440 HD22 LEU 58 2HD2 LEU 58 4.157 6.004 13.452 441 HD23 LEU 58 3HD2 LEU 58 5.313 6.977 14.371 442 H GLU 59 H GLU 59 3.049 2.270 14.365 443 HA GLU 59 HA GLU 59 2.491 3.777 16.707 444 HB2 GLU 59 1HB GLU 59 0.940 3.088 14.854 445 HB3 GLU 59 2HB GLU 59 0.898 1.465 15.547 446 HG2 GLU 59 1HG GLU 59 -0.187 2.267 17.526 447 HG3 GLU 59 2HG GLU 59 0.124 3.941 17.078 448 HE2 GLU 59 HE2 GLU 59 -1.597 4.787 16.645 449 H THR 60 H THR 60 3.741 0.526 16.408 450 HA THR 60 HA THR 60 2.716 -0.458 18.899 451 HB THR 60 HB THR 60 4.275 -2.277 18.670 452 HG1 THR 60 HG1 THR 60 5.513 -0.892 16.509 453 HG21 THR 60 1HG2 THR 60 3.679 -3.067 16.475 454 HG22 THR 60 2HG2 THR 60 3.495 -1.412 15.856 455 HG23 THR 60 3HG2 THR 60 2.328 -2.050 17.032 456 H TYR 61 H TYR 61 5.197 1.830 18.252 457 HA TYR 61 HA TYR 61 6.682 1.256 20.727 458 HB2 TYR 61 1HB TYR 61 6.954 3.120 18.403 459 HB3 TYR 61 2HB TYR 61 7.708 3.589 19.927 460 HD1 TYR 61 HD1 TYR 61 7.686 0.970 17.268 461 HD2 TYR 61 HD2 TYR 61 9.654 2.488 20.780 462 HE1 TYR 61 HE1 TYR 61 9.640 -0.516 16.809 463 HE2 TYR 61 HE2 TYR 61 11.599 0.988 20.357 464 HH TYR 61 HH TYR 61 12.472 -0.663 19.008 465 H CYS 62 H CYS 62 3.708 2.674 20.278 466 HA CYS 62 HA CYS 62 4.034 5.142 21.669 467 HB2 CYS 62 1HB CYS 62 1.608 3.389 21.287 468 HB3 CYS 62 2HB CYS 62 1.580 5.036 21.954 469 H ALA 63 H ALA 63 3.115 5.808 23.684 470 HA ALA 63 HA ALA 63 4.092 3.986 25.787 471 HB1 ALA 63 1HB ALA 63 4.144 6.056 27.140 472 HB2 ALA 63 2HB ALA 63 5.018 6.250 25.605 473 HB3 ALA 63 3HB ALA 63 3.386 6.944 25.791 474 H THR 64 H THR 64 1.103 4.258 24.514 475 HA THR 64 HA THR 64 -0.177 3.779 27.095 476 HB THR 64 HB THR 64 -0.146 6.346 26.485 477 HG1 THR 64 HG1 THR 64 -1.340 5.657 28.182 478 HG21 THR 64 1HG2 THR 64 -2.058 7.090 25.180 479 HG22 THR 64 2HG2 THR 64 -2.519 5.418 24.842 480 HG23 THR 64 3HG2 THR 64 -1.004 6.073 24.173 481 HA PRO 65 HA PRO 65 -2.500 1.082 24.402 482 HB2 PRO 65 1HB PRO 65 -4.621 0.461 25.973 483 HB3 PRO 65 2HB PRO 65 -2.960 -0.052 26.417 484 HG2 PRO 65 1HG PRO 65 -4.522 2.343 27.371 485 HG3 PRO 65 2HG PRO 65 -3.666 1.100 28.341 486 HD2 PRO 65 1HD PRO 65 -2.534 3.500 27.708 487 HD3 PRO 65 2HD PRO 65 -1.562 2.008 27.847 488 H ALA 66 H ALA 66 -4.597 0.888 23.291 489 HA ALA 66 HA ALA 66 -5.599 3.433 22.425 490 HB1 ALA 66 1HB ALA 66 -6.737 0.625 22.046 491 HB2 ALA 66 2HB ALA 66 -7.192 2.071 21.112 492 HB3 ALA 66 3HB ALA 66 -5.543 1.413 20.983 493 H LYS 67 H LYS 67 -7.493 4.489 22.912 494 HA LYS 67 HA LYS 67 -9.277 3.290 24.987 495 HB2 LYS 67 1HB LYS 67 -7.727 4.985 26.016 496 HB3 LYS 67 2HB LYS 67 -8.377 6.194 24.903 497 HG2 LYS 67 1HG LYS 67 -10.669 5.728 25.866 498 HG3 LYS 67 2HG LYS 67 -9.882 4.713 27.090 499 HD2 LYS 67 1HD LYS 67 -8.566 6.653 27.843 500 HD3 LYS 67 2HD LYS 67 -9.315 7.651 26.575 501 HE2 LYS 67 1HE LYS 67 -11.554 7.171 27.561 502 HE3 LYS 67 2HE LYS 67 -10.756 6.290 28.883 503 HZ1 LYS 67 1HZ LYS 67 -11.240 8.570 29.500 504 HZ2 LYS 67 2HZ LYS 67 -10.366 9.154 28.230 505 HZ3 LYS 67 3HZ LYS 67 -9.606 8.349 29.454 506 H SER 68 H SER 68 -10.570 2.700 23.170 507 HA SER 68 HA SER 68 -11.597 4.843 21.441 508 HB2 SER 68 1HB SER 68 -12.297 1.885 21.539 509 HB3 SER 68 2HB SER 68 -12.680 3.030 20.234 510 HG SER 68 HG SER 68 -10.825 1.926 19.668 511 H GLU 69 H GLU 69 -12.476 5.865 23.554 512 HA GLU 69 HA GLU 69 -15.353 5.174 23.741 513 HB2 GLU 69 1HB GLU 69 -13.482 5.419 26.135 514 HB3 GLU 69 2HB GLU 69 -15.243 5.502 26.232 515 HG2 GLU 69 1HG GLU 69 -15.378 3.203 25.325 516 HG3 GLU 69 2HG GLU 69 -13.609 3.113 25.354 Start of MODEL 16 1 H1 ALA 1 1H ALA 1 -0.669 4.114 -1.923 2 H2 ALA 1 2H ALA 1 -1.439 3.649 -3.307 3 H3 ALA 1 3H ALA 1 -0.038 2.906 -2.850 4 HA ALA 1 HA ALA 1 0.416 4.409 -4.649 5 HB1 ALA 1 1HB ALA 1 -0.706 6.523 -2.735 6 HB2 ALA 1 2HB ALA 1 0.045 6.850 -4.316 7 HB3 ALA 1 3HB ALA 1 -1.492 5.960 -4.235 8 H TYR 2 H TYR 2 2.519 5.311 -4.764 9 HA TYR 2 HA TYR 2 4.154 4.754 -2.415 10 HB2 TYR 2 1HB TYR 2 4.924 4.243 -4.697 11 HB3 TYR 2 2HB TYR 2 4.812 5.955 -5.134 12 HD1 TYR 2 HD1 TYR 2 6.609 3.554 -2.870 13 HD2 TYR 2 HD2 TYR 2 6.630 7.455 -4.697 14 HE1 TYR 2 HE1 TYR 2 8.944 3.926 -2.077 15 HE2 TYR 2 HE2 TYR 2 8.969 7.806 -3.901 16 HH TYR 2 HH TYR 2 10.753 6.907 -2.748 17 H ARG 3 H ARG 3 5.293 6.202 -1.143 18 HA ARG 3 HA ARG 3 5.074 9.099 -1.771 19 HB2 ARG 3 1HB ARG 3 4.664 7.767 0.942 20 HB3 ARG 3 2HB ARG 3 5.121 9.461 0.751 21 HG2 ARG 3 1HG ARG 3 3.035 9.865 -0.533 22 HG3 ARG 3 2HG ARG 3 2.538 8.191 -0.202 23 HD2 ARG 3 1HD ARG 3 2.618 8.618 2.213 24 HD3 ARG 3 2HD ARG 3 3.240 10.254 1.929 25 HE ARG 3 HE ARG 3 0.763 9.963 0.563 26 HH11 ARG 3 1HH1 ARG 3 1.970 10.238 3.871 27 HH12 ARG 3 2HH1 ARG 3 0.495 10.971 4.447 28 HH21 ARG 3 1HH2 ARG 3 -1.089 10.906 1.374 29 HH22 ARG 3 2HH2 ARG 3 -1.198 11.338 3.057 30 HA PRO 4 HA PRO 4 9.395 8.262 -1.267 31 HB2 PRO 4 1HB PRO 4 10.434 10.772 -0.969 32 HB3 PRO 4 2HB PRO 4 9.779 10.184 -2.533 33 HG2 PRO 4 1HG PRO 4 8.420 11.869 -0.434 34 HG3 PRO 4 2HG PRO 4 8.539 12.151 -2.202 35 HD2 PRO 4 1HD PRO 4 6.348 11.005 -1.070 36 HD3 PRO 4 2HD PRO 4 6.949 10.496 -2.683 37 H SER 5 H SER 5 7.615 10.190 1.084 38 HA SER 5 HA SER 5 9.631 9.933 3.179 39 HB2 SER 5 1HB SER 5 6.722 10.792 3.391 40 HB3 SER 5 2HB SER 5 8.046 11.163 4.522 41 HG SER 5 HG SER 5 8.921 12.525 3.038 42 H GLU 6 H GLU 6 9.156 7.406 2.300 43 HA GLU 6 HA GLU 6 7.068 6.162 3.984 44 HB2 GLU 6 1HB GLU 6 7.772 4.078 2.906 45 HB3 GLU 6 2HB GLU 6 7.384 5.332 1.722 46 HG2 GLU 6 1HG GLU 6 9.787 5.761 1.354 47 HG3 GLU 6 2HG GLU 6 10.194 4.535 2.559 48 H THR 7 H THR 7 10.187 7.276 4.411 49 HA THR 7 HA THR 7 10.507 5.626 6.861 50 HB THR 7 HB THR 7 13.034 5.669 6.383 51 HG1 THR 7 HG1 THR 7 13.658 6.086 4.261 52 HG21 THR 7 1HG2 THR 7 11.480 4.176 4.257 53 HG22 THR 7 2HG2 THR 7 11.631 3.646 5.947 54 HG23 THR 7 3HG2 THR 7 13.076 3.765 4.925 55 H LEU 8 H LEU 8 11.753 6.631 8.441 56 HA LEU 8 HA LEU 8 11.885 9.587 8.107 57 HB2 LEU 8 1HB LEU 8 10.812 7.994 10.420 58 HB3 LEU 8 2HB LEU 8 11.153 9.696 10.445 59 HG LEU 8 HG LEU 8 8.972 9.675 10.363 60 HD11 LEU 8 1HD1 LEU 8 8.205 10.656 8.452 61 HD12 LEU 8 2HD1 LEU 8 9.236 9.648 7.405 62 HD13 LEU 8 3HD1 LEU 8 9.957 10.927 8.401 63 HD21 LEU 8 1HD2 LEU 8 8.654 7.396 10.241 64 HD22 LEU 8 2HD2 LEU 8 8.936 7.434 8.477 65 HD23 LEU 8 3HD2 LEU 8 7.526 8.268 9.193 66 H CYS 9 H CYS 9 13.300 10.618 9.252 67 HA CYS 9 HA CYS 9 15.061 9.167 11.156 68 HB2 CYS 9 1HB CYS 9 16.008 10.824 8.787 69 HB3 CYS 9 2HB CYS 9 17.055 10.237 10.084 70 H GLY 10 H GLY 10 16.202 10.708 12.564 71 HA2 GLY 10 1HA GLY 10 16.294 12.619 13.845 72 HA3 GLY 10 2HA GLY 10 15.966 13.496 12.345 73 H GLY 11 H GLY 11 14.590 15.031 12.990 74 HA2 GLY 11 1HA GLY 11 12.540 14.623 14.934 75 HA3 GLY 11 2HA GLY 11 12.704 16.007 13.849 76 H GLU 12 H GLU 12 12.553 13.952 11.481 77 HA GLU 12 HA GLU 12 9.720 14.300 11.100 78 HB2 GLU 12 1HB GLU 12 11.611 12.425 9.629 79 HB3 GLU 12 2HB GLU 12 10.026 12.981 9.075 80 HG2 GLU 12 1HG GLU 12 12.496 14.697 9.470 81 HG3 GLU 12 2HG GLU 12 11.798 14.191 7.924 82 H LEU 13 H LEU 13 11.746 11.691 12.326 83 HA LEU 13 HA LEU 13 9.717 9.669 12.328 84 HB2 LEU 13 1HB LEU 13 12.183 9.301 12.509 85 HB3 LEU 13 2HB LEU 13 12.149 9.991 14.122 86 HG LEU 13 HG LEU 13 11.079 8.118 15.045 87 HD11 LEU 13 1HD1 LEU 13 10.180 6.235 13.724 88 HD12 LEU 13 2HD1 LEU 13 10.482 7.139 12.235 89 HD13 LEU 13 3HD1 LEU 13 9.294 7.731 13.416 90 HD21 LEU 13 1HD2 LEU 13 12.971 7.190 12.843 91 HD22 LEU 13 2HD2 LEU 13 12.521 6.240 14.275 92 HD23 LEU 13 3HD2 LEU 13 13.428 7.756 14.471 93 H VAL 14 H VAL 14 10.784 12.117 14.654 94 HA VAL 14 HA VAL 14 9.062 11.318 16.808 95 HB VAL 14 HB VAL 14 10.313 14.006 16.067 96 HG11 VAL 14 1HG1 VAL 14 9.828 14.638 18.470 97 HG12 VAL 14 2HG1 VAL 14 8.407 14.561 17.409 98 HG13 VAL 14 3HG1 VAL 14 8.738 13.238 18.538 99 HG21 VAL 14 1HG2 VAL 14 11.042 11.931 18.165 100 HG22 VAL 14 2HG2 VAL 14 11.904 12.212 16.634 101 HG23 VAL 14 3HG2 VAL 14 11.884 13.474 17.884 102 H ASP 15 H ASP 15 8.682 13.552 14.033 103 HA ASP 15 HA ASP 15 6.119 14.529 14.776 104 HB2 ASP 15 1HB ASP 15 7.656 15.422 12.981 105 HB3 ASP 15 2HB ASP 15 7.148 14.069 11.960 106 H THR 16 H THR 16 7.043 11.686 12.737 107 HA THR 16 HA THR 16 4.336 10.968 12.167 108 HB THR 16 HB THR 16 6.766 9.139 12.349 109 HG1 THR 16 HG1 THR 16 7.079 10.975 10.981 110 HG21 THR 16 1HG2 THR 16 5.563 7.867 10.613 111 HG22 THR 16 2HG2 THR 16 4.182 8.979 10.752 112 HG23 THR 16 3HG2 THR 16 4.636 7.941 12.123 113 H LEU 17 H LEU 17 6.552 10.048 14.824 114 HA LEU 17 HA LEU 17 4.760 8.173 16.064 115 HB2 LEU 17 1HB LEU 17 7.051 9.854 17.058 116 HB3 LEU 17 2HB LEU 17 6.110 8.846 18.165 117 HG LEU 17 HG LEU 17 7.218 7.614 15.658 118 HD11 LEU 17 1HD1 LEU 17 8.815 7.966 18.199 119 HD12 LEU 17 2HD1 LEU 17 9.091 8.838 16.675 120 HD13 LEU 17 3HD1 LEU 17 9.297 7.083 16.732 121 HD21 LEU 17 1HD2 LEU 17 5.667 6.333 17.141 122 HD22 LEU 17 2HD2 LEU 17 6.822 6.529 18.477 123 HD23 LEU 17 3HD2 LEU 17 7.276 5.595 17.036 124 H GLN 18 H GLN 18 5.030 11.720 16.357 125 HA GLN 18 HA GLN 18 3.020 11.907 18.448 126 HB2 GLN 18 1HB GLN 18 4.109 13.892 16.433 127 HB3 GLN 18 2HB GLN 18 2.890 14.311 17.640 128 HG2 GLN 18 1HG GLN 18 4.433 13.694 19.448 129 HG3 GLN 18 2HG GLN 18 5.669 13.274 18.259 130 HE21 GLN 18 1HE2 GLN 18 5.722 16.906 17.242 131 HE22 GLN 18 2HE2 GLN 18 5.165 15.459 16.440 132 H PHE 19 H PHE 19 2.914 11.573 14.935 133 HA PHE 19 HA PHE 19 0.200 12.561 14.709 134 HB2 PHE 19 1HB PHE 19 1.886 12.481 12.856 135 HB3 PHE 19 2HB PHE 19 1.726 10.724 12.833 136 HD1 PHE 19 HD1 PHE 19 -0.230 9.643 11.879 137 HD2 PHE 19 HD2 PHE 19 0.028 13.930 12.126 138 HE1 PHE 19 HE1 PHE 19 -2.178 9.838 10.340 139 HE2 PHE 19 HE2 PHE 19 -1.932 14.141 10.596 140 HZ PHE 19 HZ PHE 19 -3.037 12.093 9.696 141 H VAL 20 H VAL 20 1.638 9.255 14.954 142 HA VAL 20 HA VAL 20 -0.941 8.015 14.556 143 HB VAL 20 HB VAL 20 0.134 5.887 15.001 144 HG11 VAL 20 1HG1 VAL 20 0.567 7.042 12.852 145 HG12 VAL 20 2HG1 VAL 20 2.079 7.672 13.536 146 HG13 VAL 20 3HG1 VAL 20 1.857 5.918 13.334 147 HG21 VAL 20 1HG2 VAL 20 2.430 5.702 15.779 148 HG22 VAL 20 2HG2 VAL 20 2.537 7.465 15.965 149 HG23 VAL 20 3HG2 VAL 20 1.440 6.514 16.991 150 H CYS 21 H CYS 21 0.633 9.191 17.415 151 HA CYS 21 HA CYS 21 -1.583 7.968 19.024 152 HB2 CYS 21 1HB CYS 21 1.226 7.382 19.201 153 HB3 CYS 21 2HB CYS 21 0.695 8.157 20.699 154 H GLY 22 H GLY 22 -0.551 10.853 18.029 155 HA2 GLY 22 1HA GLY 22 -1.028 12.958 18.865 156 HA3 GLY 22 2HA GLY 22 -1.661 12.215 20.349 157 H ASP 23 H ASP 23 -0.338 14.341 20.917 158 HA ASP 23 HA ASP 23 2.532 13.997 21.179 159 HB2 ASP 23 1HB ASP 23 0.623 15.900 22.588 160 HB3 ASP 23 2HB ASP 23 2.390 16.032 22.571 161 H ARG 24 H ARG 24 0.227 12.222 22.586 162 HA ARG 24 HA ARG 24 0.539 12.594 25.380 163 HB2 ARG 24 1HB ARG 24 -0.210 10.034 23.924 164 HB3 ARG 24 2HB ARG 24 -0.590 10.455 25.599 165 HG2 ARG 24 1HG ARG 24 -1.628 12.594 24.092 166 HG3 ARG 24 2HG ARG 24 -1.982 11.154 23.120 167 HD2 ARG 24 1HD ARG 24 -3.837 11.522 24.569 168 HD3 ARG 24 2HD ARG 24 -2.961 10.110 25.197 169 HE ARG 24 HE ARG 24 -1.901 12.362 26.502 170 HH11 ARG 24 1HH1 ARG 24 -5.050 10.772 26.344 171 HH12 ARG 24 2HH1 ARG 24 -5.508 11.320 27.937 172 HH21 ARG 24 1HH2 ARG 24 -2.550 13.018 28.522 173 HH22 ARG 24 2HH2 ARG 24 -4.111 12.562 29.149 174 H GLY 25 H GLY 25 2.438 10.571 23.143 175 HA2 GLY 25 1HA GLY 25 4.808 10.593 24.204 176 HA3 GLY 25 2HA GLY 25 4.036 9.665 25.488 177 H PHE 26 H PHE 26 6.264 8.841 23.963 178 HA PHE 26 HA PHE 26 5.318 6.236 23.052 179 HB2 PHE 26 1HB PHE 26 6.470 6.532 20.800 180 HB3 PHE 26 2HB PHE 26 4.923 7.366 20.989 181 HD1 PHE 26 HD1 PHE 26 8.615 7.862 20.920 182 HD2 PHE 26 HD2 PHE 26 4.743 9.743 20.872 183 HE1 PHE 26 HE1 PHE 26 9.681 10.033 20.343 184 HE2 PHE 26 HE2 PHE 26 5.805 11.915 20.301 185 HZ PHE 26 HZ PHE 26 8.276 12.063 20.056 186 H TYR 27 H TYR 27 7.194 4.909 22.357 187 HA TYR 27 HA TYR 27 9.574 5.425 24.069 188 HB2 TYR 27 1HB TYR 27 8.567 3.075 22.406 189 HB3 TYR 27 2HB TYR 27 10.139 3.083 23.199 190 HD1 TYR 27 HD1 TYR 27 10.369 2.323 25.398 191 HD2 TYR 27 HD2 TYR 27 6.435 3.320 23.965 192 HE1 TYR 27 HE1 TYR 27 9.375 1.262 27.401 193 HE2 TYR 27 HE2 TYR 27 5.451 2.281 26.000 194 HH TYR 27 HH TYR 27 7.441 0.716 28.512 195 H PHE 28 H PHE 28 11.739 5.154 23.058 196 HA PHE 28 HA PHE 28 11.710 5.443 20.088 197 HB2 PHE 28 1HB PHE 28 12.385 7.499 21.712 198 HB3 PHE 28 2HB PHE 28 13.958 6.735 21.522 199 HD1 PHE 28 HD1 PHE 28 15.131 6.840 19.398 200 HD2 PHE 28 HD2 PHE 28 11.110 8.337 19.750 201 HE1 PHE 28 HE1 PHE 28 15.360 7.977 17.189 202 HE2 PHE 28 HE2 PHE 28 11.327 9.467 17.543 203 HZ PHE 28 HZ PHE 28 13.456 9.302 16.265 204 H ASN 29 H ASN 29 13.501 4.363 22.966 205 HA ASN 29 HA ASN 29 14.923 2.366 21.262 206 HB2 ASN 29 1HB ASN 29 16.035 4.533 22.978 207 HB3 ASN 29 2HB ASN 29 16.809 2.969 23.140 208 HD21 ASN 29 1HD2 ASN 29 18.200 5.180 20.327 209 HD22 ASN 29 2HD2 ASN 29 17.594 5.642 21.898 210 H ARG 30 H ARG 30 12.611 2.404 23.124 211 HA ARG 30 HA ARG 30 11.752 1.142 24.848 212 HB2 ARG 30 1HB ARG 30 13.690 -0.964 23.967 213 HB3 ARG 30 2HB ARG 30 12.007 -1.100 24.474 214 HG2 ARG 30 1HG ARG 30 11.583 0.401 22.381 215 HG3 ARG 30 2HG ARG 30 13.166 -0.234 21.890 216 HD2 ARG 30 1HD ARG 30 10.686 -1.812 22.644 217 HD3 ARG 30 2HD ARG 30 11.361 -1.627 21.009 218 HE ARG 30 HE ARG 30 13.280 -2.741 22.892 219 HH11 ARG 30 1HH1 ARG 30 10.592 -3.650 20.774 220 HH12 ARG 30 2HH1 ARG 30 11.116 -5.309 20.686 221 HH21 ARG 30 1HH2 ARG 30 13.860 -4.832 22.757 222 HH22 ARG 30 2HH2 ARG 30 12.954 -5.971 21.780 223 HA PRO 31 HA PRO 31 15.660 1.147 27.336 224 HB2 PRO 31 1HB PRO 31 15.494 3.351 28.952 225 HB3 PRO 31 2HB PRO 31 16.065 3.417 27.270 226 HG2 PRO 31 1HG PRO 31 13.319 4.038 28.287 227 HG3 PRO 31 2HG PRO 31 14.381 5.035 27.241 228 HD2 PRO 31 1HD PRO 31 12.451 3.417 26.195 229 HD3 PRO 31 2HD PRO 31 14.030 3.657 25.373 230 H ALA 32 H ALA 32 12.482 1.964 28.269 231 HA ALA 32 HA ALA 32 11.060 1.461 29.982 232 HB1 ALA 32 1HB ALA 32 11.150 -0.791 30.935 233 HB2 ALA 32 2HB ALA 32 11.524 -0.865 29.196 234 HB3 ALA 32 3HB ALA 32 12.833 -0.983 30.395 235 H SER 33 H SER 33 13.505 3.015 30.498 236 HA SER 33 HA SER 33 13.248 3.291 33.387 237 HB2 SER 33 1HB SER 33 15.663 2.929 33.817 238 HB3 SER 33 2HB SER 33 14.907 1.433 33.228 239 HG SER 33 HG SER 33 15.830 1.703 31.270 240 H ARG 34 H ARG 34 14.867 5.171 33.987 241 HA ARG 34 HA ARG 34 15.254 6.922 31.608 242 HB2 ARG 34 1HB ARG 34 14.214 7.653 34.353 243 HB3 ARG 34 2HB ARG 34 14.797 8.860 33.211 244 HG2 ARG 34 1HG ARG 34 12.478 6.977 32.642 245 HG3 ARG 34 2HG ARG 34 12.322 8.632 33.258 246 HD2 ARG 34 1HD ARG 34 13.617 9.429 31.231 247 HD3 ARG 34 2HD ARG 34 13.512 7.782 30.591 248 HE ARG 34 HE ARG 34 11.246 8.083 30.138 249 HH11 ARG 34 1HH1 ARG 34 12.416 10.903 31.925 250 HH12 ARG 34 2HH1 ARG 34 10.993 11.836 31.555 251 HH21 ARG 34 1HH2 ARG 34 9.457 9.340 29.728 252 HH22 ARG 34 2HH2 ARG 34 9.356 10.967 30.338 253 H VAL 35 H VAL 35 16.897 5.132 33.521 254 HA VAL 35 HA VAL 35 18.894 7.099 34.441 255 HB VAL 35 HB VAL 35 20.095 5.169 35.390 256 HG11 VAL 35 1HG1 VAL 35 18.456 4.539 37.080 257 HG12 VAL 35 2HG1 VAL 35 18.248 6.253 36.667 258 HG13 VAL 35 3HG1 VAL 35 17.116 5.037 36.022 259 HG21 VAL 35 1HG2 VAL 35 17.876 3.446 34.176 260 HG22 VAL 35 2HG2 VAL 35 19.585 3.457 33.684 261 HG23 VAL 35 3HG2 VAL 35 19.132 2.884 35.297 262 H SER 36 H SER 36 18.229 5.160 31.705 263 HA SER 36 HA SER 36 20.774 6.030 30.506 264 HB2 SER 36 1HB SER 36 21.305 3.779 31.352 265 HB3 SER 36 2HB SER 36 19.861 3.125 30.551 266 HG SER 36 HG SER 36 21.739 2.808 29.299 267 H ARG 37 H ARG 37 20.564 6.516 28.432 268 HA ARG 37 HA ARG 37 17.972 5.854 27.074 269 HB2 ARG 37 1HB ARG 37 18.265 7.869 25.752 270 HB3 ARG 37 2HB ARG 37 18.310 8.290 27.466 271 HG2 ARG 37 1HG ARG 37 20.790 8.414 27.370 272 HG3 ARG 37 2HG ARG 37 20.745 8.013 25.645 273 HD2 ARG 37 1HD ARG 37 19.426 10.452 26.907 274 HD3 ARG 37 2HD ARG 37 20.994 10.460 26.088 275 HE ARG 37 HE ARG 37 18.340 10.317 24.853 276 HH11 ARG 37 1HH1 ARG 37 21.808 9.942 24.288 277 HH12 ARG 37 2HH1 ARG 37 21.639 10.134 22.566 278 HH21 ARG 37 1HH2 ARG 37 18.212 10.563 22.647 279 HH22 ARG 37 2HH2 ARG 37 19.646 10.482 21.664 280 H ARG 38 H ARG 38 20.891 4.692 27.409 281 HA ARG 38 HA ARG 38 21.338 4.187 24.494 282 HB2 ARG 38 1HB ARG 38 23.736 4.355 24.853 283 HB3 ARG 38 2HB ARG 38 22.933 5.862 25.302 284 HG2 ARG 38 1HG ARG 38 23.087 5.203 27.716 285 HG3 ARG 38 2HG ARG 38 23.990 3.755 27.237 286 HD2 ARG 38 1HD ARG 38 24.824 6.629 26.692 287 HD3 ARG 38 2HD ARG 38 25.482 5.589 27.970 288 HE ARG 38 HE ARG 38 25.794 4.211 25.530 289 HH11 ARG 38 1HH1 ARG 38 27.077 7.143 27.036 290 HH12 ARG 38 2HH1 ARG 38 28.565 7.064 26.130 291 HH21 ARG 38 1HH2 ARG 38 27.723 4.178 24.421 292 HH22 ARG 38 2HH2 ARG 38 28.920 5.417 24.683 293 H SER 39 H SER 39 19.972 2.590 26.623 294 HA SER 39 HA SER 39 21.635 0.388 27.352 295 HB2 SER 39 1HB SER 39 18.639 0.419 26.782 296 HB3 SER 39 2HB SER 39 19.522 -0.769 27.768 297 HG SER 39 HG SER 39 18.567 0.785 29.101 298 HA PRO 40 HA PRO 40 22.005 -1.285 23.296 299 HB2 PRO 40 1HB PRO 40 22.806 -3.845 23.757 300 HB3 PRO 40 2HB PRO 40 23.823 -2.434 24.192 301 HG2 PRO 40 1HG PRO 40 21.962 -4.022 25.955 302 HG3 PRO 40 2HG PRO 40 23.678 -3.583 26.233 303 HD2 PRO 40 1HD PRO 40 21.622 -2.140 27.288 304 HD3 PRO 40 2HD PRO 40 23.148 -1.361 26.745 305 H GLN 41 H GLN 41 19.727 -1.043 22.764 306 HA GLN 41 HA GLN 41 18.501 -3.657 22.129 307 HB2 GLN 41 1HB GLN 41 17.277 -1.415 23.760 308 HB3 GLN 41 2HB GLN 41 16.293 -2.346 22.649 309 HG2 GLN 41 1HG GLN 41 17.133 -4.437 23.855 310 HG3 GLN 41 2HG GLN 41 17.731 -3.328 25.105 311 HE21 GLN 41 1HE2 GLN 41 14.618 -3.071 26.620 312 HE22 GLN 41 2HE2 GLN 41 16.358 -2.985 26.726 313 H ARG 42 H ARG 42 17.041 -3.380 20.284 314 HA ARG 42 HA ARG 42 17.822 -1.227 18.504 315 HB2 ARG 42 1HB ARG 42 15.645 -3.343 18.399 316 HB3 ARG 42 2HB ARG 42 15.781 -2.060 17.194 317 HG2 ARG 42 1HG ARG 42 18.240 -2.893 16.960 318 HG3 ARG 42 2HG ARG 42 17.590 -4.392 17.664 319 HD2 ARG 42 1HD ARG 42 15.847 -4.454 15.952 320 HD3 ARG 42 2HD ARG 42 16.397 -2.902 15.299 321 HE ARG 42 HE ARG 42 18.602 -4.622 15.218 322 HH11 ARG 42 1HH1 ARG 42 15.425 -4.354 13.680 323 HH12 ARG 42 2HH1 ARG 42 15.944 -5.224 12.256 324 HH21 ARG 42 1HH2 ARG 42 19.191 -5.696 13.365 325 HH22 ARG 42 2HH2 ARG 42 18.044 -5.962 12.080 326 H GLY 43 H GLY 43 16.612 0.480 17.797 327 HA2 GLY 43 1HA GLY 43 14.221 1.138 19.458 328 HA3 GLY 43 2HA GLY 43 15.378 2.338 18.874 329 H ILE 44 H ILE 44 12.985 2.989 18.304 330 HA ILE 44 HA ILE 44 11.833 1.888 15.920 331 HB ILE 44 HB ILE 44 10.586 3.362 17.515 332 HG12 ILE 44 1HG1 ILE 44 9.680 4.999 15.727 333 HG13 ILE 44 2HG1 ILE 44 10.787 4.215 14.625 334 HG21 ILE 44 1HG2 ILE 44 12.489 4.972 17.945 335 HG22 ILE 44 2HG2 ILE 44 12.175 5.684 16.356 336 HG23 ILE 44 3HG2 ILE 44 10.933 5.746 17.623 337 HD11 ILE 44 1HD1 ILE 44 8.477 2.945 16.089 338 HD12 ILE 44 2HD1 ILE 44 8.641 3.228 14.345 339 HD13 ILE 44 3HD1 ILE 44 9.677 2.028 15.143 340 H VAL 45 H VAL 45 14.434 4.165 16.536 341 HA VAL 45 HA VAL 45 14.593 5.254 13.915 342 HB VAL 45 HB VAL 45 15.714 6.459 15.592 343 HG11 VAL 45 1HG1 VAL 45 15.978 4.834 17.343 344 HG12 VAL 45 2HG1 VAL 45 17.134 3.882 16.365 345 HG13 VAL 45 3HG1 VAL 45 17.586 5.483 16.977 346 HG21 VAL 45 1HG2 VAL 45 17.937 5.037 14.091 347 HG22 VAL 45 2HG2 VAL 45 16.942 6.358 13.438 348 HG23 VAL 45 3HG2 VAL 45 18.009 6.650 14.827 349 H GLU 46 H GLU 46 15.865 2.213 15.296 350 HA GLU 46 HA GLU 46 17.438 1.650 12.929 351 HB2 GLU 46 1HB GLU 46 16.369 -0.272 14.999 352 HB3 GLU 46 2HB GLU 46 17.609 -0.581 13.774 353 HG2 GLU 46 1HG GLU 46 18.886 1.378 14.841 354 HG3 GLU 46 2HG GLU 46 17.768 1.198 16.198 355 H GLU 47 H GLU 47 14.090 1.263 13.855 356 HA GLU 47 HA GLU 47 13.619 -0.682 11.704 357 HB2 GLU 47 1HB GLU 47 11.680 0.768 13.538 358 HB3 GLU 47 2HB GLU 47 11.269 -0.539 12.426 359 HG2 GLU 47 1HG GLU 47 13.092 -0.740 14.856 360 HG3 GLU 47 2HG GLU 47 11.465 -1.410 14.695 361 H CYS 48 H CYS 48 13.254 2.811 12.175 362 HA CYS 48 HA CYS 48 11.810 2.937 9.564 363 HB2 CYS 48 1HB CYS 48 11.868 4.833 11.919 364 HB3 CYS 48 2HB CYS 48 11.094 5.196 10.372 365 H CYS 49 H CYS 49 14.860 3.824 10.940 366 HA CYS 49 HA CYS 49 15.251 5.789 8.710 367 HB2 CYS 49 1HB CYS 49 15.579 6.651 11.041 368 HB3 CYS 49 2HB CYS 49 16.888 5.486 11.244 369 H PHE 50 H PHE 50 16.811 3.099 10.511 370 HA PHE 50 HA PHE 50 18.796 2.758 8.356 371 HB2 PHE 50 1HB PHE 50 18.190 1.151 10.864 372 HB3 PHE 50 2HB PHE 50 19.472 0.756 9.722 373 HD1 PHE 50 HD1 PHE 50 18.384 3.176 12.306 374 HD2 PHE 50 HD2 PHE 50 21.526 2.046 9.608 375 HE1 PHE 50 HE1 PHE 50 19.944 4.624 13.548 376 HE2 PHE 50 HE2 PHE 50 23.105 3.539 10.833 377 HZ PHE 50 HZ PHE 50 22.306 4.830 12.818 378 H ARG 51 H ARG 51 15.586 1.783 8.958 379 HA ARG 51 HA ARG 51 15.704 -0.181 6.745 380 HB2 ARG 51 1HB ARG 51 14.477 -0.730 9.480 381 HB3 ARG 51 2HB ARG 51 14.140 -1.692 8.041 382 HG2 ARG 51 1HG ARG 51 16.919 -1.358 9.226 383 HG3 ARG 51 2HG ARG 51 15.825 -2.690 9.627 384 HD2 ARG 51 1HD ARG 51 15.783 -3.431 7.314 385 HD3 ARG 51 2HD ARG 51 16.735 -2.024 6.804 386 HE ARG 51 HE ARG 51 18.289 -3.273 8.726 387 HH11 ARG 51 1HH1 ARG 51 16.963 -4.196 5.590 388 HH12 ARG 51 2HH1 ARG 51 18.281 -5.284 5.242 389 HH21 ARG 51 1HH2 ARG 51 19.947 -4.675 8.212 390 HH22 ARG 51 2HH2 ARG 51 19.937 -5.547 6.705 391 H SER 52 H SER 52 13.367 -0.839 6.255 392 HA SER 52 HA SER 52 11.728 1.571 6.035 393 HB2 SER 52 1HB SER 52 10.413 -0.745 5.087 394 HB3 SER 52 2HB SER 52 11.245 0.493 4.116 395 HG SER 52 HG SER 52 12.093 -1.618 3.766 396 H CYS 53 H CYS 53 9.669 1.802 6.923 397 HA CYS 53 HA CYS 53 8.551 -0.393 8.534 398 HB2 CYS 53 1HB CYS 53 8.265 0.895 10.518 399 HB3 CYS 53 2HB CYS 53 9.972 0.977 10.103 400 H ASP 54 H ASP 54 6.348 0.696 9.460 401 HA ASP 54 HA ASP 54 5.180 2.529 7.449 402 HB2 ASP 54 1HB ASP 54 4.763 0.019 6.852 403 HB3 ASP 54 2HB ASP 54 3.753 -0.019 8.305 404 H LEU 55 H LEU 55 2.968 3.207 8.394 405 HA LEU 55 HA LEU 55 3.356 4.271 10.990 406 HB2 LEU 55 1HB LEU 55 1.541 5.418 10.455 407 HB3 LEU 55 2HB LEU 55 1.568 4.538 8.931 408 HG LEU 55 HG LEU 55 -0.090 3.473 11.193 409 HD11 LEU 55 1HD1 LEU 55 -0.850 5.702 9.269 410 HD12 LEU 55 2HD1 LEU 55 -0.663 5.845 11.033 411 HD13 LEU 55 3HD1 LEU 55 -1.965 4.845 10.361 412 HD21 LEU 55 1HD2 LEU 55 0.217 2.129 9.081 413 HD22 LEU 55 2HD2 LEU 55 -0.437 3.488 8.151 414 HD23 LEU 55 3HD2 LEU 55 -1.464 2.635 9.329 415 H ALA 56 H ALA 56 1.961 1.244 9.958 416 HA ALA 56 HA ALA 56 0.612 0.637 12.400 417 HB1 ALA 56 1HB ALA 56 0.376 -1.565 11.414 418 HB2 ALA 56 2HB ALA 56 0.156 -0.316 10.152 419 HB3 ALA 56 3HB ALA 56 1.683 -1.220 10.250 420 H LEU 57 H LEU 57 3.862 -0.196 11.138 421 HA LEU 57 HA LEU 57 4.635 -1.799 13.414 422 HB2 LEU 57 1HB LEU 57 5.706 -1.812 11.145 423 HB3 LEU 57 2HB LEU 57 6.357 -0.211 11.460 424 HG LEU 57 HG LEU 57 7.050 -2.553 13.240 425 HD11 LEU 57 1HD1 LEU 57 8.440 -1.738 10.652 426 HD12 LEU 57 2HD1 LEU 57 7.474 -3.212 10.897 427 HD13 LEU 57 3HD1 LEU 57 8.986 -2.989 11.792 428 HD21 LEU 57 1HD2 LEU 57 9.192 -1.301 13.531 429 HD22 LEU 57 2HD2 LEU 57 7.794 -0.381 14.094 430 HD23 LEU 57 3HD2 LEU 57 8.537 0.019 12.535 431 H LEU 58 H LEU 58 4.969 1.612 12.455 432 HA LEU 58 HA LEU 58 6.586 2.441 14.586 433 HB2 LEU 58 1HB LEU 58 6.184 3.502 12.397 434 HB3 LEU 58 2HB LEU 58 4.554 3.913 12.908 435 HG LEU 58 HG LEU 58 6.686 4.856 14.669 436 HD11 LEU 58 1HD1 LEU 58 6.366 5.907 11.843 437 HD12 LEU 58 2HD1 LEU 58 7.826 5.213 12.575 438 HD13 LEU 58 3HD1 LEU 58 7.211 6.773 13.145 439 HD21 LEU 58 1HD2 LEU 58 4.409 5.491 15.062 440 HD22 LEU 58 2HD2 LEU 58 4.207 6.031 13.382 441 HD23 LEU 58 3HD2 LEU 58 5.268 6.926 14.481 442 H GLU 59 H GLU 59 3.052 2.185 14.334 443 HA GLU 59 HA GLU 59 2.403 3.684 16.655 444 HB2 GLU 59 1HB GLU 59 0.837 2.981 14.885 445 HB3 GLU 59 2HB GLU 59 0.969 1.307 15.412 446 HG2 GLU 59 1HG GLU 59 0.046 3.463 17.324 447 HG3 GLU 59 2HG GLU 59 -1.076 2.757 16.156 448 HE2 GLU 59 HE2 GLU 59 -1.182 2.684 18.811 449 H THR 60 H THR 60 3.680 0.407 16.354 450 HA THR 60 HA THR 60 2.778 -0.542 18.884 451 HB THR 60 HB THR 60 4.425 -2.292 18.691 452 HG1 THR 60 HG1 THR 60 5.589 -0.883 16.505 453 HG21 THR 60 1HG2 THR 60 3.899 -3.174 16.512 454 HG22 THR 60 2HG2 THR 60 3.590 -1.553 15.856 455 HG23 THR 60 3HG2 THR 60 2.479 -2.253 17.058 456 H TYR 61 H TYR 61 5.245 1.770 18.107 457 HA TYR 61 HA TYR 61 6.642 1.417 20.677 458 HB2 TYR 61 1HB TYR 61 6.963 3.194 18.275 459 HB3 TYR 61 2HB TYR 61 7.683 3.684 19.808 460 HD1 TYR 61 HD1 TYR 61 7.641 0.877 17.309 461 HD2 TYR 61 HD2 TYR 61 9.732 2.757 20.569 462 HE1 TYR 61 HE1 TYR 61 9.621 -0.572 16.888 463 HE2 TYR 61 HE2 TYR 61 11.703 1.298 20.156 464 HH TYR 61 HH TYR 61 11.758 -1.125 17.538 465 H CYS 62 H CYS 62 3.628 2.613 20.024 466 HA CYS 62 HA CYS 62 3.692 5.175 21.321 467 HB2 CYS 62 1HB CYS 62 1.792 4.260 19.972 468 HB3 CYS 62 2HB CYS 62 1.439 3.149 21.303 469 H ALA 63 H ALA 63 3.002 5.732 23.451 470 HA ALA 63 HA ALA 63 4.184 3.988 25.448 471 HB1 ALA 63 1HB ALA 63 3.580 5.851 26.970 472 HB2 ALA 63 2HB ALA 63 4.505 6.361 25.537 473 HB3 ALA 63 3HB ALA 63 2.747 6.642 25.605 474 H THR 64 H THR 64 1.205 3.688 24.049 475 HA THR 64 HA THR 64 0.187 2.306 26.417 476 HB THR 64 HB THR 64 -0.801 4.726 26.383 477 HG1 THR 64 HG1 THR 64 -2.846 2.818 26.157 478 HG21 THR 64 1HG2 THR 64 -1.236 4.728 23.908 479 HG22 THR 64 2HG2 THR 64 -2.652 5.124 24.906 480 HG23 THR 64 3HG2 THR 64 -2.495 3.500 24.196 481 HA PRO 65 HA PRO 65 -0.655 -0.393 23.000 482 HB2 PRO 65 1HB PRO 65 -2.398 -2.172 24.076 483 HB3 PRO 65 2HB PRO 65 -0.716 -2.040 24.680 484 HG2 PRO 65 1HG PRO 65 -3.226 -0.775 25.778 485 HG3 PRO 65 2HG PRO 65 -1.990 -1.743 26.645 486 HD2 PRO 65 1HD PRO 65 -1.959 0.990 26.625 487 HD3 PRO 65 2HD PRO 65 -0.450 0.018 26.648 488 H ALA 66 H ALA 66 -2.291 -1.136 21.505 489 HA ALA 66 HA ALA 66 -4.465 0.740 21.076 490 HB1 ALA 66 1HB ALA 66 -3.888 -1.969 19.774 491 HB2 ALA 66 2HB ALA 66 -4.994 -0.718 19.154 492 HB3 ALA 66 3HB ALA 66 -3.245 -0.405 19.211 493 H LYS 67 H LYS 67 -6.708 0.313 21.339 494 HA LYS 67 HA LYS 67 -7.250 -1.756 23.393 495 HB2 LYS 67 1HB LYS 67 -7.753 0.737 23.683 496 HB3 LYS 67 2HB LYS 67 -9.090 0.499 22.551 497 HG2 LYS 67 1HG LYS 67 -10.171 -1.044 24.065 498 HG3 LYS 67 2HG LYS 67 -8.743 -1.092 25.112 499 HD2 LYS 67 1HD LYS 67 -9.083 1.235 25.735 500 HD3 LYS 67 2HD LYS 67 -10.435 1.374 24.588 501 HE2 LYS 67 1HE LYS 67 -11.275 1.038 26.880 502 HE3 LYS 67 2HE LYS 67 -11.699 -0.333 25.835 503 HZ1 LYS 67 1HZ LYS 67 -9.438 -0.294 27.756 504 HZ2 LYS 67 2HZ LYS 67 -9.850 -1.564 26.787 505 HZ3 LYS 67 3HZ LYS 67 -10.875 -1.073 27.983 506 H SER 68 H SER 68 -7.259 -1.856 20.231 507 HA SER 68 HA SER 68 -8.374 -2.986 18.578 508 HB2 SER 68 1HB SER 68 -8.035 -4.852 20.263 509 HB3 SER 68 2HB SER 68 -9.706 -4.577 20.798 510 HG SER 68 HG SER 68 -10.358 -4.957 18.628 511 H GLU 69 H GLU 69 -9.495 -0.573 19.343 512 HA GLU 69 HA GLU 69 -12.435 -0.972 19.228 513 HB2 GLU 69 1HB GLU 69 -12.618 1.372 19.734 514 HB3 GLU 69 2HB GLU 69 -11.467 0.671 20.881 515 HG2 GLU 69 1HG GLU 69 -9.587 1.560 19.503 516 HG3 GLU 69 2HG GLU 69 -10.758 2.271 18.387 Start of MODEL 17 1 H1 ALA 1 1H ALA 1 2.512 2.845 -5.828 2 H2 ALA 1 2H ALA 1 1.592 3.162 -7.162 3 H3 ALA 1 3H ALA 1 3.208 2.865 -7.322 4 HA ALA 1 HA ALA 1 2.792 5.210 -7.570 5 HB1 ALA 1 1HB ALA 1 0.712 5.275 -6.176 6 HB2 ALA 1 2HB ALA 1 1.692 4.995 -4.713 7 HB3 ALA 1 3HB ALA 1 1.892 6.497 -5.646 8 H TYR 2 H TYR 2 4.175 6.917 -6.414 9 HA TYR 2 HA TYR 2 6.461 5.543 -5.042 10 HB2 TYR 2 1HB TYR 2 7.104 6.233 -7.277 11 HB3 TYR 2 2HB TYR 2 6.364 7.822 -7.054 12 HD1 TYR 2 HD1 TYR 2 9.209 5.653 -5.928 13 HD2 TYR 2 HD2 TYR 2 7.565 9.636 -6.029 14 HE1 TYR 2 HE1 TYR 2 11.364 6.578 -5.078 15 HE2 TYR 2 HE2 TYR 2 9.733 10.545 -5.196 16 HH TYR 2 HH TYR 2 11.879 10.065 -4.552 17 H ARG 3 H ARG 3 7.332 6.565 -3.249 18 HA ARG 3 HA ARG 3 6.330 9.274 -2.564 19 HB2 ARG 3 1HB ARG 3 6.511 6.882 -0.688 20 HB3 ARG 3 2HB ARG 3 6.487 8.554 -0.130 21 HG2 ARG 3 1HG ARG 3 4.274 8.864 -1.220 22 HG3 ARG 3 2HG ARG 3 4.258 7.132 -1.616 23 HD2 ARG 3 1HD ARG 3 4.372 6.550 0.761 24 HD3 ARG 3 2HD ARG 3 4.593 8.251 1.194 25 HE ARG 3 HE ARG 3 2.325 8.688 0.805 26 HH11 ARG 3 1HH1 ARG 3 3.010 5.287 0.125 27 HH12 ARG 3 2HH1 ARG 3 1.323 4.852 0.158 28 HH21 ARG 3 1HH2 ARG 3 0.205 8.054 0.825 29 HH22 ARG 3 2HH2 ARG 3 -0.233 6.392 0.544 30 HA PRO 4 HA PRO 4 10.764 9.456 -2.329 31 HB2 PRO 4 1HB PRO 4 11.139 11.901 -1.198 32 HB3 PRO 4 2HB PRO 4 10.482 11.721 -2.857 33 HG2 PRO 4 1HG PRO 4 8.989 12.145 -0.272 34 HG3 PRO 4 2HG PRO 4 8.834 13.035 -1.819 35 HD2 PRO 4 1HD PRO 4 7.148 10.998 -1.139 36 HD3 PRO 4 2HD PRO 4 7.652 11.292 -2.837 37 H SER 5 H SER 5 8.725 9.786 0.500 38 HA SER 5 HA SER 5 11.037 9.117 2.259 39 HB2 SER 5 1HB SER 5 8.488 10.588 3.008 40 HB3 SER 5 2HB SER 5 9.920 10.328 4.028 41 HG SER 5 HG SER 5 10.066 12.367 3.145 42 H GLU 6 H GLU 6 10.764 6.870 2.025 43 HA GLU 6 HA GLU 6 8.270 5.758 3.237 44 HB2 GLU 6 1HB GLU 6 8.922 3.653 2.268 45 HB3 GLU 6 2HB GLU 6 8.937 4.889 1.012 46 HG2 GLU 6 1HG GLU 6 11.447 5.050 1.356 47 HG3 GLU 6 2HG GLU 6 11.319 3.611 2.378 48 H THR 7 H THR 7 11.162 6.958 4.070 49 HA THR 7 HA THR 7 11.479 5.162 6.431 50 HB THR 7 HB THR 7 13.951 5.868 6.305 51 HG1 THR 7 HG1 THR 7 14.658 6.607 4.287 52 HG21 THR 7 1HG2 THR 7 12.947 4.224 3.958 53 HG22 THR 7 2HG2 THR 7 13.218 3.619 5.605 54 HG23 THR 7 3HG2 THR 7 14.587 4.205 4.645 55 H LEU 8 H LEU 8 12.279 6.341 8.275 56 HA LEU 8 HA LEU 8 11.934 9.306 8.101 57 HB2 LEU 8 1HB LEU 8 10.825 7.491 10.220 58 HB3 LEU 8 2HB LEU 8 10.828 9.243 10.295 59 HG LEU 8 HG LEU 8 9.333 7.577 8.358 60 HD11 LEU 8 1HD1 LEU 8 8.474 7.322 10.559 61 HD12 LEU 8 2HD1 LEU 8 7.352 8.230 9.534 62 HD13 LEU 8 3HD1 LEU 8 8.357 9.091 10.713 63 HD21 LEU 8 1HD2 LEU 8 9.167 10.563 8.908 64 HD22 LEU 8 2HD2 LEU 8 8.195 9.676 7.714 65 HD23 LEU 8 3HD2 LEU 8 9.945 9.846 7.475 66 H CYS 9 H CYS 9 13.185 10.425 9.364 67 HA CYS 9 HA CYS 9 14.968 9.015 11.291 68 HB2 CYS 9 1HB CYS 9 15.895 10.812 9.023 69 HB3 CYS 9 2HB CYS 9 16.935 10.171 10.301 70 H GLY 10 H GLY 10 15.927 10.444 12.839 71 HA2 GLY 10 1HA GLY 10 15.918 12.267 14.249 72 HA3 GLY 10 2HA GLY 10 15.869 13.218 12.761 73 H GLY 11 H GLY 11 14.508 14.810 13.096 74 HA2 GLY 11 1HA GLY 11 12.272 14.683 14.835 75 HA3 GLY 11 2HA GLY 11 12.590 15.936 13.631 76 H GLU 12 H GLU 12 12.511 13.806 11.395 77 HA GLU 12 HA GLU 12 9.693 14.122 10.870 78 HB2 GLU 12 1HB GLU 12 11.591 12.143 9.555 79 HB3 GLU 12 2HB GLU 12 10.067 12.751 8.910 80 HG2 GLU 12 1HG GLU 12 12.654 14.284 9.297 81 HG3 GLU 12 2HG GLU 12 11.876 13.850 7.769 82 H LEU 13 H LEU 13 11.672 11.579 12.304 83 HA LEU 13 HA LEU 13 9.588 9.569 12.178 84 HB2 LEU 13 1HB LEU 13 12.032 9.105 12.343 85 HB3 LEU 13 2HB LEU 13 12.032 9.746 13.973 86 HG LEU 13 HG LEU 13 10.839 7.901 14.829 87 HD11 LEU 13 1HD1 LEU 13 10.239 7.021 11.964 88 HD12 LEU 13 2HD1 LEU 13 9.075 7.603 13.167 89 HD13 LEU 13 3HD1 LEU 13 9.911 6.068 13.421 90 HD21 LEU 13 1HD2 LEU 13 12.774 6.952 12.676 91 HD22 LEU 13 2HD2 LEU 13 12.246 5.992 14.073 92 HD23 LEU 13 3HD2 LEU 13 13.190 7.473 14.329 93 H VAL 14 H VAL 14 10.771 11.936 14.548 94 HA VAL 14 HA VAL 14 9.049 11.207 16.715 95 HB VAL 14 HB VAL 14 10.406 13.829 15.947 96 HG11 VAL 14 1HG1 VAL 14 8.729 13.176 18.380 97 HG12 VAL 14 2HG1 VAL 14 9.985 14.435 18.414 98 HG13 VAL 14 3HG1 VAL 14 8.615 14.570 17.297 99 HG21 VAL 14 1HG2 VAL 14 11.035 11.779 18.095 100 HG22 VAL 14 2HG2 VAL 14 11.882 11.931 16.536 101 HG23 VAL 14 3HG2 VAL 14 11.973 13.245 17.728 102 H ASP 15 H ASP 15 8.666 13.511 14.003 103 HA ASP 15 HA ASP 15 6.190 14.639 14.799 104 HB2 ASP 15 1HB ASP 15 7.644 15.449 12.950 105 HB3 ASP 15 2HB ASP 15 7.217 14.015 12.004 106 H THR 16 H THR 16 6.889 11.774 12.756 107 HA THR 16 HA THR 16 4.127 11.142 12.323 108 HB THR 16 HB THR 16 6.522 9.267 12.305 109 HG1 THR 16 HG1 THR 16 6.746 11.113 10.930 110 HG21 THR 16 1HG2 THR 16 5.155 8.052 10.622 111 HG22 THR 16 2HG2 THR 16 3.794 9.143 10.967 112 HG23 THR 16 3HG2 THR 16 4.414 8.056 12.234 113 H LEU 17 H LEU 17 6.439 10.172 14.873 114 HA LEU 17 HA LEU 17 4.709 8.224 16.081 115 HB2 LEU 17 1HB LEU 17 7.061 9.840 17.026 116 HB3 LEU 17 2HB LEU 17 6.140 8.846 18.155 117 HG LEU 17 HG LEU 17 7.087 7.600 15.598 118 HD11 LEU 17 1HD1 LEU 17 9.053 8.741 16.469 119 HD12 LEU 17 2HD1 LEU 17 9.198 6.982 16.573 120 HD13 LEU 17 3HD1 LEU 17 8.836 7.929 18.037 121 HD21 LEU 17 1HD2 LEU 17 7.138 5.572 16.927 122 HD22 LEU 17 2HD2 LEU 17 5.589 6.380 17.216 123 HD23 LEU 17 3HD2 LEU 17 6.882 6.490 18.426 124 H GLN 18 H GLN 18 4.962 11.770 16.467 125 HA GLN 18 HA GLN 18 2.995 11.876 18.606 126 HB2 GLN 18 1HB GLN 18 3.842 13.946 16.545 127 HB3 GLN 18 2HB GLN 18 2.728 14.260 17.878 128 HG2 GLN 18 1HG GLN 18 4.513 13.668 19.485 129 HG3 GLN 18 2HG GLN 18 5.630 13.445 18.138 130 HE21 GLN 18 1HE2 GLN 18 6.366 16.815 17.808 131 HE22 GLN 18 2HE2 GLN 18 6.674 15.163 17.328 132 H PHE 19 H PHE 19 2.842 11.937 15.021 133 HA PHE 19 HA PHE 19 0.088 12.624 14.852 134 HB2 PHE 19 1HB PHE 19 1.674 12.714 12.970 135 HB3 PHE 19 2HB PHE 19 1.782 10.953 12.968 136 HD1 PHE 19 HD1 PHE 19 -0.458 13.831 12.280 137 HD2 PHE 19 HD2 PHE 19 0.092 9.576 11.964 138 HE1 PHE 19 HE1 PHE 19 -2.421 13.696 10.750 139 HE2 PHE 19 HE2 PHE 19 -1.860 9.427 10.428 140 HZ PHE 19 HZ PHE 19 -3.126 11.489 9.819 141 H VAL 20 H VAL 20 1.602 9.332 15.022 142 HA VAL 20 HA VAL 20 -0.966 8.079 14.581 143 HB VAL 20 HB VAL 20 0.106 5.946 14.974 144 HG11 VAL 20 1HG1 VAL 20 1.824 6.001 13.329 145 HG12 VAL 20 2HG1 VAL 20 0.565 7.171 12.871 146 HG13 VAL 20 3HG1 VAL 20 2.081 7.741 13.588 147 HG21 VAL 20 1HG2 VAL 20 2.400 5.736 15.764 148 HG22 VAL 20 2HG2 VAL 20 2.500 7.495 16.011 149 HG23 VAL 20 3HG2 VAL 20 1.394 6.509 16.989 150 H CYS 21 H CYS 21 0.570 9.245 17.460 151 HA CYS 21 HA CYS 21 -1.527 7.821 19.052 152 HB2 CYS 21 1HB CYS 21 1.418 7.810 19.392 153 HB3 CYS 21 2HB CYS 21 0.451 7.861 20.877 154 H GLY 22 H GLY 22 -0.187 10.958 18.534 155 HA2 GLY 22 1HA GLY 22 -0.738 12.935 19.566 156 HA3 GLY 22 2HA GLY 22 -2.162 12.089 20.187 157 H ASP 23 H ASP 23 -2.354 12.727 22.200 158 HA ASP 23 HA ASP 23 -0.109 13.311 23.904 159 HB2 ASP 23 1HB ASP 23 -1.710 13.915 25.532 160 HB3 ASP 23 2HB ASP 23 -2.422 14.374 23.979 161 H ARG 24 H ARG 24 -1.284 10.325 22.982 162 HA ARG 24 HA ARG 24 -1.141 8.975 25.562 163 HB2 ARG 24 1HB ARG 24 -0.862 7.875 22.742 164 HB3 ARG 24 2HB ARG 24 -1.076 6.913 24.196 165 HG2 ARG 24 1HG ARG 24 -3.115 8.893 23.082 166 HG3 ARG 24 2HG ARG 24 -3.169 7.134 22.902 167 HD2 ARG 24 1HD ARG 24 -4.529 7.283 24.710 168 HD3 ARG 24 2HD ARG 24 -2.983 7.241 25.577 169 HE ARG 24 HE ARG 24 -3.765 9.963 24.899 170 HH11 ARG 24 1HH1 ARG 24 -4.363 7.380 27.246 171 HH12 ARG 24 2HH1 ARG 24 -4.892 8.498 28.477 172 HH21 ARG 24 1HH2 ARG 24 -4.447 11.321 26.516 173 HH22 ARG 24 2HH2 ARG 24 -4.939 10.679 28.068 174 H GLY 25 H GLY 25 1.128 10.180 23.261 175 HA2 GLY 25 1HA GLY 25 3.406 10.390 23.545 176 HA3 GLY 25 2HA GLY 25 3.298 9.448 25.038 177 H PHE 26 H PHE 26 5.447 9.003 23.647 178 HA PHE 26 HA PHE 26 5.156 6.241 22.712 179 HB2 PHE 26 1HB PHE 26 6.272 6.656 20.578 180 HB3 PHE 26 2HB PHE 26 4.736 7.523 20.653 181 HD1 PHE 26 HD1 PHE 26 4.652 9.959 20.793 182 HD2 PHE 26 HD2 PHE 26 8.409 7.862 20.611 183 HE1 PHE 26 HE1 PHE 26 5.831 12.100 20.324 184 HE2 PHE 26 HE2 PHE 26 9.589 9.997 20.133 185 HZ PHE 26 HZ PHE 26 8.304 12.121 20.011 186 H TYR 27 H TYR 27 7.423 5.404 22.104 187 HA TYR 27 HA TYR 27 9.575 6.938 23.496 188 HB2 TYR 27 1HB TYR 27 10.438 4.629 24.239 189 HB3 TYR 27 2HB TYR 27 9.155 5.361 25.175 190 HD1 TYR 27 HD1 TYR 27 7.152 4.180 25.659 191 HD2 TYR 27 HD2 TYR 27 9.684 2.859 22.435 192 HE1 TYR 27 HE1 TYR 27 5.817 2.115 25.441 193 HE2 TYR 27 HE2 TYR 27 8.293 0.805 22.210 194 HH TYR 27 HH TYR 27 5.331 0.305 24.012 195 H PHE 28 H PHE 28 11.753 6.238 22.775 196 HA PHE 28 HA PHE 28 11.592 5.418 19.919 197 HB2 PHE 28 1HB PHE 28 13.197 7.276 21.492 198 HB3 PHE 28 2HB PHE 28 14.231 6.122 20.664 199 HD1 PHE 28 HD1 PHE 28 15.054 6.813 18.614 200 HD2 PHE 28 HD2 PHE 28 11.151 8.152 19.845 201 HE1 PHE 28 HE1 PHE 28 14.851 8.145 16.519 202 HE2 PHE 28 HE2 PHE 28 10.942 9.474 17.749 203 HZ PHE 28 HZ PHE 28 12.796 9.484 16.089 204 H ASN 29 H ASN 29 12.967 4.694 23.060 205 HA ASN 29 HA ASN 29 14.473 2.397 21.920 206 HB2 ASN 29 1HB ASN 29 14.978 4.019 24.435 207 HB3 ASN 29 2HB ASN 29 16.060 2.855 23.693 208 HD21 ASN 29 1HD2 ASN 29 17.060 5.055 21.071 209 HD22 ASN 29 2HD2 ASN 29 16.784 3.368 21.431 210 H ARG 30 H ARG 30 11.675 2.435 23.113 211 HA ARG 30 HA ARG 30 10.413 1.066 24.487 212 HB2 ARG 30 1HB ARG 30 12.658 -0.855 23.821 213 HB3 ARG 30 2HB ARG 30 10.985 -1.249 24.233 214 HG2 ARG 30 1HG ARG 30 10.380 0.321 22.342 215 HG3 ARG 30 2HG ARG 30 12.060 0.123 21.841 216 HD2 ARG 30 1HD ARG 30 10.169 -2.211 22.284 217 HD3 ARG 30 2HD ARG 30 10.388 -1.420 20.714 218 HE ARG 30 HE ARG 30 12.936 -2.157 21.756 219 HH11 ARG 30 1HH1 ARG 30 10.081 -3.631 20.291 220 HH12 ARG 30 2HH1 ARG 30 10.989 -4.972 19.645 221 HH21 ARG 30 1HH2 ARG 30 14.033 -3.895 20.891 222 HH22 ARG 30 2HH2 ARG 30 13.184 -5.112 19.975 223 HA PRO 31 HA PRO 31 13.422 1.133 27.911 224 HB2 PRO 31 1HB PRO 31 12.541 3.173 29.534 225 HB3 PRO 31 2HB PRO 31 13.596 3.433 28.121 226 HG2 PRO 31 1HG PRO 31 10.598 3.733 28.260 227 HG3 PRO 31 2HG PRO 31 11.817 4.888 27.623 228 HD2 PRO 31 1HD PRO 31 10.454 3.177 26.018 229 HD3 PRO 31 2HD PRO 31 12.160 3.630 25.687 230 H ALA 32 H ALA 32 10.005 1.792 28.147 231 HA ALA 32 HA ALA 32 8.333 1.198 29.548 232 HB1 ALA 32 1HB ALA 32 8.660 -0.832 28.224 233 HB2 ALA 32 2HB ALA 32 9.779 -1.465 29.463 234 HB3 ALA 32 3HB ALA 32 8.062 -1.211 29.856 235 H SER 33 H SER 33 10.672 2.250 30.975 236 HA SER 33 HA SER 33 9.693 1.647 33.668 237 HB2 SER 33 1HB SER 33 12.497 1.001 32.761 238 HB3 SER 33 2HB SER 33 12.103 1.331 34.451 239 HG SER 33 HG SER 33 10.454 -0.486 33.142 240 H ARG 34 H ARG 34 10.354 3.779 31.611 241 HA ARG 34 HA ARG 34 10.626 5.996 31.458 242 HB2 ARG 34 1HB ARG 34 9.458 5.450 33.958 243 HB3 ARG 34 2HB ARG 34 10.683 6.657 34.255 244 HG2 ARG 34 1HG ARG 34 8.649 6.925 32.047 245 HG3 ARG 34 2HG ARG 34 8.288 7.429 33.704 246 HD2 ARG 34 1HD ARG 34 10.589 8.520 32.040 247 HD3 ARG 34 2HD ARG 34 9.003 9.295 32.213 248 HE ARG 34 HE ARG 34 10.150 8.767 34.790 249 HH11 ARG 34 1HH1 ARG 34 10.416 11.016 32.082 250 HH12 ARG 34 2HH1 ARG 34 11.040 12.295 33.086 251 HH21 ARG 34 1HH2 ARG 34 10.949 10.451 36.007 252 HH22 ARG 34 2HH2 ARG 34 11.334 11.978 35.266 253 H VAL 35 H VAL 35 12.885 4.095 32.278 254 HA VAL 35 HA VAL 35 14.784 5.996 33.323 255 HB VAL 35 HB VAL 35 16.441 4.085 33.181 256 HG11 VAL 35 1HG1 VAL 35 15.432 2.827 35.001 257 HG12 VAL 35 2HG1 VAL 35 15.126 4.567 35.193 258 HG13 VAL 35 3HG1 VAL 35 13.839 3.501 34.602 259 HG21 VAL 35 1HG2 VAL 35 13.977 2.449 32.368 260 HG22 VAL 35 2HG2 VAL 35 15.318 2.843 31.285 261 HG23 VAL 35 3HG2 VAL 35 15.599 1.824 32.698 262 H SER 36 H SER 36 13.735 5.190 30.302 263 HA SER 36 HA SER 36 14.481 5.444 28.140 264 HB2 SER 36 1HB SER 36 14.676 7.817 29.115 265 HB3 SER 36 2HB SER 36 16.430 7.529 29.138 266 HG SER 36 HG SER 36 16.387 7.227 26.927 267 H ARG 37 H ARG 37 15.914 3.609 29.942 268 HA ARG 37 HA ARG 37 17.624 2.183 30.065 269 HB2 ARG 37 1HB ARG 37 16.939 2.442 27.398 270 HB3 ARG 37 2HB ARG 37 18.697 2.529 27.398 271 HG2 ARG 37 1HG ARG 37 18.833 0.407 28.612 272 HG3 ARG 37 2HG ARG 37 17.068 0.375 28.781 273 HD2 ARG 37 1HD ARG 37 16.883 0.300 26.279 274 HD3 ARG 37 2HD ARG 37 18.645 0.157 26.205 275 HE ARG 37 HE ARG 37 18.532 -2.015 27.118 276 HH11 ARG 37 1HH1 ARG 37 15.279 -0.649 26.813 277 HH12 ARG 37 2HH1 ARG 37 14.509 -2.183 27.100 278 HH21 ARG 37 1HH2 ARG 37 17.471 -3.939 27.459 279 HH22 ARG 37 2HH2 ARG 37 15.730 -4.009 27.446 280 H ARG 38 H ARG 38 18.342 5.379 29.838 281 HA ARG 38 HA ARG 38 20.167 6.684 30.171 282 HB2 ARG 38 1HB ARG 38 21.216 4.268 31.657 283 HB3 ARG 38 2HB ARG 38 21.735 5.948 31.859 284 HG2 ARG 38 1HG ARG 38 19.222 6.396 32.398 285 HG3 ARG 38 2HG ARG 38 19.150 4.646 32.683 286 HD2 ARG 38 1HD ARG 38 21.022 6.624 34.032 287 HD3 ARG 38 2HD ARG 38 19.588 5.877 34.763 288 HE ARG 38 HE ARG 38 21.318 3.817 33.847 289 HH11 ARG 38 1HH1 ARG 38 21.274 6.288 36.372 290 HH12 ARG 38 2HH1 ARG 38 22.303 5.357 37.427 291 HH21 ARG 38 1HH2 ARG 38 22.633 2.697 35.247 292 HH22 ARG 38 2HH2 ARG 38 23.054 3.363 36.803 293 H SER 39 H SER 39 20.237 5.032 27.718 294 HA SER 39 HA SER 39 23.040 5.496 27.021 295 HB2 SER 39 1HB SER 39 23.173 3.249 28.053 296 HB3 SER 39 2HB SER 39 21.830 2.693 27.035 297 HG SER 39 HG SER 39 24.476 3.336 26.302 298 HA PRO 40 HA PRO 40 20.646 5.935 23.244 299 HB2 PRO 40 1HB PRO 40 22.627 6.112 21.368 300 HB3 PRO 40 2HB PRO 40 22.267 7.452 22.503 301 HG2 PRO 40 1HG PRO 40 24.410 5.353 22.666 302 HG3 PRO 40 2HG PRO 40 24.535 7.121 22.911 303 HD2 PRO 40 1HD PRO 40 24.329 5.341 24.972 304 HD3 PRO 40 2HD PRO 40 23.653 7.004 25.056 305 H GLN 41 H GLN 41 19.593 4.035 22.930 306 HA GLN 41 HA GLN 41 21.199 1.665 22.091 307 HB2 GLN 41 1HB GLN 41 19.439 2.138 24.321 308 HB3 GLN 41 2HB GLN 41 18.758 0.855 23.329 309 HG2 GLN 41 1HG GLN 41 21.699 0.750 24.021 310 HG3 GLN 41 2HG GLN 41 20.528 0.377 25.286 311 HE21 GLN 41 1HE2 GLN 41 21.298 -2.875 23.901 312 HE22 GLN 41 2HE2 GLN 41 22.020 -1.647 24.914 313 H ARG 42 H ARG 42 19.494 -0.114 21.344 314 HA ARG 42 HA ARG 42 18.737 0.775 18.727 315 HB2 ARG 42 1HB ARG 42 17.976 -1.772 20.208 316 HB3 ARG 42 2HB ARG 42 17.959 -1.519 18.459 317 HG2 ARG 42 1HG ARG 42 20.486 -0.952 18.740 318 HG3 ARG 42 2HG ARG 42 20.336 -1.726 20.322 319 HD2 ARG 42 1HD ARG 42 19.463 -3.772 19.170 320 HD3 ARG 42 2HD ARG 42 19.791 -2.983 17.615 321 HE ARG 42 HE ARG 42 21.724 -4.164 19.445 322 HH11 ARG 42 1HH1 ARG 42 21.382 -1.803 16.805 323 HH12 ARG 42 2HH1 ARG 42 23.071 -1.953 16.375 324 HH21 ARG 42 1HH2 ARG 42 23.847 -4.259 18.823 325 HH22 ARG 42 2HH2 ARG 42 24.431 -3.290 17.498 326 H GLY 43 H GLY 43 16.523 0.439 17.756 327 HA2 GLY 43 1HA GLY 43 14.158 0.297 19.196 328 HA3 GLY 43 2HA GLY 43 14.678 1.971 19.355 329 H ILE 44 H ILE 44 12.805 2.689 18.312 330 HA ILE 44 HA ILE 44 11.870 1.778 15.799 331 HB ILE 44 HB ILE 44 10.583 3.233 17.404 332 HG12 ILE 44 1HG1 ILE 44 9.738 4.917 15.630 333 HG13 ILE 44 2HG1 ILE 44 10.846 4.125 14.532 334 HG21 ILE 44 1HG2 ILE 44 12.489 4.806 17.911 335 HG22 ILE 44 2HG2 ILE 44 12.229 5.549 16.321 336 HG23 ILE 44 3HG2 ILE 44 10.949 5.609 17.552 337 HD11 ILE 44 1HD1 ILE 44 9.676 1.953 14.984 338 HD12 ILE 44 2HD1 ILE 44 8.493 2.870 15.954 339 HD13 ILE 44 3HD1 ILE 44 8.659 3.195 14.220 340 H VAL 45 H VAL 45 14.462 4.057 16.554 341 HA VAL 45 HA VAL 45 14.651 5.198 13.965 342 HB VAL 45 HB VAL 45 15.729 6.150 15.972 343 HG11 VAL 45 1HG1 VAL 45 16.544 4.072 17.003 344 HG12 VAL 45 2HG1 VAL 45 17.751 3.900 15.701 345 HG13 VAL 45 3HG1 VAL 45 17.835 5.272 16.826 346 HG21 VAL 45 1HG2 VAL 45 17.694 5.544 13.727 347 HG22 VAL 45 2HG2 VAL 45 16.453 6.818 13.707 348 HG23 VAL 45 3HG2 VAL 45 17.787 6.897 14.881 349 H GLU 46 H GLU 46 15.833 2.087 15.241 350 HA GLU 46 HA GLU 46 17.445 1.593 12.868 351 HB2 GLU 46 1HB GLU 46 16.369 -0.411 14.856 352 HB3 GLU 46 2HB GLU 46 17.664 -0.643 13.672 353 HG2 GLU 46 1HG GLU 46 18.891 1.248 14.866 354 HG3 GLU 46 2HG GLU 46 17.708 1.040 16.168 355 H GLU 47 H GLU 47 14.117 1.108 13.865 356 HA GLU 47 HA GLU 47 13.520 -0.775 11.727 357 HB2 GLU 47 1HB GLU 47 11.706 0.908 13.504 358 HB3 GLU 47 2HB GLU 47 11.159 -0.350 12.395 359 HG2 GLU 47 1HG GLU 47 12.996 -0.782 14.776 360 HG3 GLU 47 2HG GLU 47 11.264 -1.129 14.732 361 H CYS 48 H CYS 48 13.239 2.753 12.146 362 HA CYS 48 HA CYS 48 11.909 2.878 9.482 363 HB2 CYS 48 1HB CYS 48 12.017 4.851 11.769 364 HB3 CYS 48 2HB CYS 48 11.215 5.142 10.222 365 H CYS 49 H CYS 49 14.947 3.834 10.968 366 HA CYS 49 HA CYS 49 15.374 5.735 8.696 367 HB2 CYS 49 1HB CYS 49 15.689 6.542 11.070 368 HB3 CYS 49 2HB CYS 49 17.049 5.426 11.200 369 H PHE 50 H PHE 50 16.892 3.014 10.471 370 HA PHE 50 HA PHE 50 18.920 2.721 8.350 371 HB2 PHE 50 1HB PHE 50 18.320 1.083 10.835 372 HB3 PHE 50 2HB PHE 50 19.646 0.758 9.719 373 HD1 PHE 50 HD1 PHE 50 21.653 2.127 9.688 374 HD2 PHE 50 HD2 PHE 50 18.383 3.120 12.282 375 HE1 PHE 50 HE1 PHE 50 23.123 3.690 10.958 376 HE2 PHE 50 HE2 PHE 50 19.827 4.638 13.570 377 HZ PHE 50 HZ PHE 50 22.208 4.951 12.911 378 H ARG 51 H ARG 51 15.738 1.678 8.962 379 HA ARG 51 HA ARG 51 15.867 -0.236 6.694 380 HB2 ARG 51 1HB ARG 51 14.378 -0.769 9.301 381 HB3 ARG 51 2HB ARG 51 14.308 -1.774 7.858 382 HG2 ARG 51 1HG ARG 51 16.787 -1.290 9.510 383 HG3 ARG 51 2HG ARG 51 15.728 -2.695 9.671 384 HD2 ARG 51 1HD ARG 51 16.234 -3.369 7.372 385 HD3 ARG 51 2HD ARG 51 17.225 -1.913 7.148 386 HE ARG 51 HE ARG 51 18.115 -3.415 9.426 387 HH11 ARG 51 1HH1 ARG 51 18.311 -3.369 5.906 388 HH12 ARG 51 2HH1 ARG 51 19.827 -4.228 5.884 389 HH21 ARG 51 1HH2 ARG 51 20.051 -4.505 9.324 390 HH22 ARG 51 2HH2 ARG 51 20.792 -4.860 7.787 391 H SER 52 H SER 52 13.268 -0.735 6.398 392 HA SER 52 HA SER 52 12.013 1.980 6.289 393 HB2 SER 52 1HB SER 52 12.500 0.741 4.110 394 HB3 SER 52 2HB SER 52 11.312 -0.471 4.626 395 HG SER 52 HG SER 52 9.784 1.311 4.753 396 H CYS 53 H CYS 53 9.828 2.169 6.980 397 HA CYS 53 HA CYS 53 8.643 -0.210 8.311 398 HB2 CYS 53 1HB CYS 53 8.357 0.912 10.394 399 HB3 CYS 53 2HB CYS 53 10.060 1.071 9.965 400 H ASP 54 H ASP 54 6.435 0.626 9.313 401 HA ASP 54 HA ASP 54 5.107 2.524 7.425 402 HB2 ASP 54 1HB ASP 54 4.552 0.240 6.691 403 HB3 ASP 54 2HB ASP 54 4.124 -0.206 8.353 404 H LEU 55 H LEU 55 2.986 3.268 8.424 405 HA LEU 55 HA LEU 55 3.412 4.317 11.026 406 HB2 LEU 55 1HB LEU 55 1.660 5.532 10.466 407 HB3 LEU 55 2HB LEU 55 1.589 4.601 8.970 408 HG LEU 55 HG LEU 55 -0.024 3.686 11.327 409 HD11 LEU 55 1HD1 LEU 55 -0.749 5.906 9.371 410 HD12 LEU 55 2HD1 LEU 55 -0.476 6.087 11.120 411 HD13 LEU 55 3HD1 LEU 55 -1.859 5.142 10.536 412 HD21 LEU 55 1HD2 LEU 55 0.115 2.279 9.242 413 HD22 LEU 55 2HD2 LEU 55 -0.505 3.650 8.307 414 HD23 LEU 55 3HD2 LEU 55 -1.521 2.884 9.550 415 H ALA 56 H ALA 56 1.899 1.300 9.978 416 HA ALA 56 HA ALA 56 0.596 0.785 12.481 417 HB1 ALA 56 1HB ALA 56 0.242 -1.418 11.533 418 HB2 ALA 56 2HB ALA 56 0.042 -0.180 10.256 419 HB3 ALA 56 3HB ALA 56 1.532 -1.140 10.332 420 H LEU 57 H LEU 57 3.769 -0.128 11.121 421 HA LEU 57 HA LEU 57 4.605 -1.768 13.342 422 HB2 LEU 57 1HB LEU 57 5.594 -1.711 11.036 423 HB3 LEU 57 2HB LEU 57 6.270 -0.131 11.383 424 HG LEU 57 HG LEU 57 7.000 -2.574 13.004 425 HD11 LEU 57 1HD1 LEU 57 8.934 -2.858 11.493 426 HD12 LEU 57 2HD1 LEU 57 8.316 -1.551 10.456 427 HD13 LEU 57 3HD1 LEU 57 7.397 -3.064 10.628 428 HD21 LEU 57 1HD2 LEU 57 9.162 -1.324 13.302 429 HD22 LEU 57 2HD2 LEU 57 7.770 -0.531 14.051 430 HD23 LEU 57 3HD2 LEU 57 8.410 0.080 12.510 431 H LEU 58 H LEU 58 4.939 1.645 12.446 432 HA LEU 58 HA LEU 58 6.569 2.483 14.552 433 HB2 LEU 58 1HB LEU 58 6.087 3.518 12.365 434 HB3 LEU 58 2HB LEU 58 4.484 3.923 12.926 435 HG LEU 58 HG LEU 58 6.741 4.936 14.506 436 HD11 LEU 58 1HD1 LEU 58 6.997 6.838 12.893 437 HD12 LEU 58 2HD1 LEU 58 6.000 5.930 11.734 438 HD13 LEU 58 3HD1 LEU 58 7.573 5.284 12.256 439 HD21 LEU 58 1HD2 LEU 58 4.504 5.517 15.178 440 HD22 LEU 58 2HD2 LEU 58 4.076 6.002 13.525 441 HD23 LEU 58 3HD2 LEU 58 5.227 6.965 14.461 442 H GLU 59 H GLU 59 3.032 2.201 14.376 443 HA GLU 59 HA GLU 59 2.422 3.673 16.728 444 HB2 GLU 59 1HB GLU 59 0.836 3.007 14.969 445 HB3 GLU 59 2HB GLU 59 0.979 1.321 15.448 446 HG2 GLU 59 1HG GLU 59 0.076 3.404 17.440 447 HG3 GLU 59 2HG GLU 59 -1.059 2.752 16.250 448 HE2 GLU 59 HE2 GLU 59 -1.255 2.555 18.837 449 H THR 60 H THR 60 3.735 0.419 16.384 450 HA THR 60 HA THR 60 2.866 -0.562 18.920 451 HB THR 60 HB THR 60 4.530 -2.295 18.683 452 HG1 THR 60 HG1 THR 60 5.631 -0.870 16.475 453 HG21 THR 60 1HG2 THR 60 3.624 -1.534 15.872 454 HG22 THR 60 2HG2 THR 60 2.547 -2.256 17.088 455 HG23 THR 60 3HG2 THR 60 3.963 -3.160 16.500 456 H TYR 61 H TYR 61 5.190 1.842 18.153 457 HA TYR 61 HA TYR 61 6.741 1.430 20.629 458 HB2 TYR 61 1HB TYR 61 6.951 3.175 18.203 459 HB3 TYR 61 2HB TYR 61 7.759 3.683 19.682 460 HD1 TYR 61 HD1 TYR 61 7.559 0.862 17.216 461 HD2 TYR 61 HD2 TYR 61 9.777 2.702 20.399 462 HE1 TYR 61 HE1 TYR 61 9.493 -0.642 16.740 463 HE2 TYR 61 HE2 TYR 61 11.688 1.187 19.963 464 HH TYR 61 HH TYR 61 11.620 -1.244 17.331 465 H CYS 62 H CYS 62 3.725 2.588 20.254 466 HA CYS 62 HA CYS 62 3.946 5.158 21.532 467 HB2 CYS 62 1HB CYS 62 1.622 3.242 21.289 468 HB3 CYS 62 2HB CYS 62 1.521 4.881 21.972 469 H ALA 63 H ALA 63 3.284 5.765 23.625 470 HA ALA 63 HA ALA 63 4.555 4.023 25.610 471 HB1 ALA 63 1HB ALA 63 4.342 6.049 27.049 472 HB2 ALA 63 2HB ALA 63 5.132 6.390 25.492 473 HB3 ALA 63 3HB ALA 63 3.431 6.843 25.743 474 H THR 64 H THR 64 1.657 3.691 24.470 475 HA THR 64 HA THR 64 0.454 3.071 27.096 476 HB THR 64 HB THR 64 -0.383 5.315 25.814 477 HG1 THR 64 HG1 THR 64 -1.132 4.699 27.800 478 HG21 THR 64 1HG2 THR 64 -2.298 3.187 24.810 479 HG22 THR 64 2HG2 THR 64 -1.122 4.046 23.784 480 HG23 THR 64 3HG2 THR 64 -2.431 4.937 24.583 481 HA PRO 65 HA PRO 65 -0.091 -0.691 24.934 482 HB2 PRO 65 1HB PRO 65 -2.221 -1.846 26.169 483 HB3 PRO 65 2HB PRO 65 -0.679 -1.547 27.028 484 HG2 PRO 65 1HG PRO 65 -3.187 0.133 27.004 485 HG3 PRO 65 2HG PRO 65 -2.245 -0.455 28.414 486 HD2 PRO 65 1HD PRO 65 -1.906 2.047 27.385 487 HD3 PRO 65 2HD PRO 65 -0.531 1.114 28.058 488 H ALA 66 H ALA 66 -1.348 -1.910 23.449 489 HA ALA 66 HA ALA 66 -3.129 -0.377 21.780 490 HB1 ALA 66 1HB ALA 66 -2.641 -3.393 21.937 491 HB2 ALA 66 2HB ALA 66 -3.476 -2.547 20.614 492 HB3 ALA 66 3HB ALA 66 -1.747 -2.249 20.903 493 H LYS 67 H LYS 67 -5.381 -0.468 21.676 494 HA LYS 67 HA LYS 67 -6.693 -1.672 24.080 495 HB2 LYS 67 1HB LYS 67 -6.580 0.880 23.711 496 HB3 LYS 67 2HB LYS 67 -7.784 0.625 22.443 497 HG2 LYS 67 1HG LYS 67 -9.298 -0.403 24.122 498 HG3 LYS 67 2HG LYS 67 -8.069 -0.139 25.373 499 HD2 LYS 67 1HD LYS 67 -8.172 2.290 24.948 500 HD3 LYS 67 2HD LYS 67 -9.433 2.007 23.723 501 HE2 LYS 67 1HE LYS 67 -10.870 0.974 25.445 502 HE3 LYS 67 2HE LYS 67 -9.611 1.269 26.668 503 HZ1 LYS 67 1HZ LYS 67 -9.841 3.635 26.242 504 HZ2 LYS 67 2HZ LYS 67 -11.299 2.998 26.685 505 HZ3 LYS 67 3HZ LYS 67 -11.002 3.366 25.103 506 H SER 68 H SER 68 -6.199 -3.327 21.972 507 HA SER 68 HA SER 68 -8.560 -3.461 20.236 508 HB2 SER 68 1HB SER 68 -6.286 -5.445 20.644 509 HB3 SER 68 2HB SER 68 -7.470 -5.447 19.317 510 HG SER 68 HG SER 68 -5.617 -4.432 18.598 511 H GLU 69 H GLU 69 -10.313 -3.740 21.639 512 HA GLU 69 HA GLU 69 -10.600 -6.465 22.777 513 HB2 GLU 69 1HB GLU 69 -11.096 -3.870 24.318 514 HB3 GLU 69 2HB GLU 69 -11.756 -5.443 24.775 515 HG2 GLU 69 1HG GLU 69 -9.937 -5.363 26.151 516 HG3 GLU 69 2HG GLU 69 -9.245 -6.204 24.760 Start of MODEL 18 1 H1 ALA 1 1H ALA 1 10.570 17.798 -5.074 2 H2 ALA 1 2H ALA 1 11.731 16.677 -5.399 3 H3 ALA 1 3H ALA 1 11.215 17.697 -6.588 4 HA ALA 1 HA ALA 1 9.010 16.728 -6.525 5 HB1 ALA 1 1HB ALA 1 9.608 14.539 -7.552 6 HB2 ALA 1 2HB ALA 1 10.677 15.829 -8.152 7 HB3 ALA 1 3HB ALA 1 11.263 14.684 -6.917 8 H TYR 2 H TYR 2 7.627 15.027 -5.719 9 HA TYR 2 HA TYR 2 7.883 14.651 -2.882 10 HB2 TYR 2 1HB TYR 2 5.738 14.838 -4.147 11 HB3 TYR 2 2HB TYR 2 6.071 13.277 -4.908 12 HD1 TYR 2 HD1 TYR 2 5.618 14.879 -1.525 13 HD2 TYR 2 HD2 TYR 2 5.321 11.276 -3.869 14 HE1 TYR 2 HE1 TYR 2 4.557 13.703 0.401 15 HE2 TYR 2 HE2 TYR 2 4.255 10.115 -1.930 16 HH TYR 2 HH TYR 2 3.643 10.275 0.298 17 H ARG 3 H ARG 3 8.203 12.744 -1.702 18 HA ARG 3 HA ARG 3 9.124 10.312 -3.164 19 HB2 ARG 3 1HB ARG 3 10.353 11.634 -0.696 20 HB3 ARG 3 2HB ARG 3 10.567 9.925 -1.072 21 HG2 ARG 3 1HG ARG 3 11.621 10.572 -3.238 22 HG3 ARG 3 2HG ARG 3 11.566 12.270 -2.700 23 HD2 ARG 3 1HD ARG 3 12.869 11.690 -0.697 24 HD3 ARG 3 2HD ARG 3 12.858 9.980 -1.164 25 HE ARG 3 HE ARG 3 14.002 11.513 -3.271 26 HH11 ARG 3 1HH1 ARG 3 14.786 10.394 -0.016 27 HH12 ARG 3 2HH1 ARG 3 16.502 10.399 -0.322 28 HH21 ARG 3 1HH2 ARG 3 16.213 11.494 -3.592 29 HH22 ARG 3 2HH2 ARG 3 17.290 11.012 -2.310 30 HA PRO 4 HA PRO 4 5.872 8.943 -0.476 31 HB2 PRO 4 1HB PRO 4 6.460 6.311 -0.052 32 HB3 PRO 4 2HB PRO 4 5.904 6.931 -1.636 33 HG2 PRO 4 1HG PRO 4 8.702 6.421 -0.712 34 HG3 PRO 4 2HG PRO 4 7.893 5.848 -2.200 35 HD2 PRO 4 1HD PRO 4 9.483 8.032 -2.206 36 HD3 PRO 4 2HD PRO 4 7.979 7.975 -3.191 37 H SER 5 H SER 5 9.202 8.674 0.430 38 HA SER 5 HA SER 5 10.329 8.743 2.400 39 HB2 SER 5 1HB SER 5 7.807 10.129 3.330 40 HB3 SER 5 2HB SER 5 9.393 10.195 4.130 41 HG SER 5 HG SER 5 8.944 11.982 2.701 42 H GLU 6 H GLU 6 9.628 6.352 2.036 43 HA GLU 6 HA GLU 6 8.003 5.178 4.155 44 HB2 GLU 6 1HB GLU 6 8.758 3.070 3.190 45 HB3 GLU 6 2HB GLU 6 8.182 4.163 1.935 46 HG2 GLU 6 1HG GLU 6 11.126 4.092 2.538 47 HG3 GLU 6 2HG GLU 6 10.403 2.763 1.626 48 H THR 7 H THR 7 10.862 6.712 4.233 49 HA THR 7 HA THR 7 11.801 5.198 6.625 50 HB THR 7 HB THR 7 14.113 6.084 6.055 51 HG1 THR 7 HG1 THR 7 13.146 7.586 4.443 52 HG21 THR 7 1HG2 THR 7 12.903 4.182 4.035 53 HG22 THR 7 2HG2 THR 7 13.514 3.761 5.656 54 HG23 THR 7 3HG2 THR 7 14.632 4.367 4.415 55 H LEU 8 H LEU 8 12.418 6.514 8.299 56 HA LEU 8 HA LEU 8 12.025 9.467 7.926 57 HB2 LEU 8 1HB LEU 8 11.047 7.793 10.222 58 HB3 LEU 8 2HB LEU 8 10.936 9.542 10.112 59 HG LEU 8 HG LEU 8 9.548 7.603 8.350 60 HD11 LEU 8 1HD1 LEU 8 8.712 7.415 10.552 61 HD12 LEU 8 2HD1 LEU 8 7.528 8.211 9.505 62 HD13 LEU 8 3HD1 LEU 8 8.498 9.180 10.626 63 HD21 LEU 8 1HD2 LEU 8 8.309 9.494 7.471 64 HD22 LEU 8 2HD2 LEU 8 10.022 9.964 7.422 65 HD23 LEU 8 3HD2 LEU 8 8.970 10.565 8.732 66 H CYS 9 H CYS 9 13.214 10.754 9.121 67 HA CYS 9 HA CYS 9 14.765 9.774 11.404 68 HB2 CYS 9 1HB CYS 9 15.875 9.136 8.997 69 HB3 CYS 9 2HB CYS 9 16.622 10.710 9.286 70 H GLY 10 H GLY 10 16.568 11.477 11.975 71 HA2 GLY 10 1HA GLY 10 17.198 13.630 12.371 72 HA3 GLY 10 2HA GLY 10 16.271 14.149 10.987 73 H GLY 11 H GLY 11 13.801 13.498 11.798 74 HA2 GLY 11 1HA GLY 11 12.948 14.411 14.351 75 HA3 GLY 11 2HA GLY 11 13.026 15.811 13.258 76 H GLU 12 H GLU 12 12.485 13.926 10.918 77 HA GLU 12 HA GLU 12 9.685 14.228 10.648 78 HB2 GLU 12 1HB GLU 12 11.405 12.018 9.486 79 HB3 GLU 12 2HB GLU 12 9.921 12.655 8.790 80 HG2 GLU 12 1HG GLU 12 10.974 14.608 8.005 81 HG3 GLU 12 2HG GLU 12 12.333 14.452 9.126 82 H LEU 13 H LEU 13 11.696 11.622 11.924 83 HA LEU 13 HA LEU 13 9.658 9.665 12.125 84 HB2 LEU 13 1HB LEU 13 12.126 9.280 12.221 85 HB3 LEU 13 2HB LEU 13 12.150 9.971 13.834 86 HG LEU 13 HG LEU 13 11.041 8.111 14.771 87 HD11 LEU 13 1HD1 LEU 13 9.254 7.734 13.198 88 HD12 LEU 13 2HD1 LEU 13 10.131 6.224 13.437 89 HD13 LEU 13 3HD1 LEU 13 10.382 7.172 11.940 90 HD21 LEU 13 1HD2 LEU 13 13.403 7.713 14.198 91 HD22 LEU 13 2HD2 LEU 13 12.923 7.082 12.605 92 HD23 LEU 13 3HD2 LEU 13 12.465 6.208 14.088 93 H VAL 14 H VAL 14 10.820 12.147 14.410 94 HA VAL 14 HA VAL 14 9.186 11.293 16.605 95 HB VAL 14 HB VAL 14 10.418 13.992 15.913 96 HG11 VAL 14 1HG1 VAL 14 9.100 13.109 18.507 97 HG12 VAL 14 2HG1 VAL 14 10.082 14.575 18.320 98 HG13 VAL 14 3HG1 VAL 14 8.553 14.410 17.437 99 HG21 VAL 14 1HG2 VAL 14 12.088 13.336 17.634 100 HG22 VAL 14 2HG2 VAL 14 11.260 11.766 17.808 101 HG23 VAL 14 3HG2 VAL 14 12.047 12.199 16.274 102 H ASP 15 H ASP 15 8.674 13.611 13.927 103 HA ASP 15 HA ASP 15 6.181 14.635 14.846 104 HB2 ASP 15 1HB ASP 15 7.612 15.529 12.976 105 HB3 ASP 15 2HB ASP 15 7.067 14.179 11.972 106 H THR 16 H THR 16 6.945 11.846 12.693 107 HA THR 16 HA THR 16 4.218 11.085 12.307 108 HB THR 16 HB THR 16 6.682 9.301 12.309 109 HG1 THR 16 HG1 THR 16 6.846 11.141 10.919 110 HG21 THR 16 1HG2 THR 16 3.954 9.059 10.976 111 HG22 THR 16 2HG2 THR 16 4.627 7.989 12.233 112 HG23 THR 16 3HG2 THR 16 5.355 8.027 10.614 113 H LEU 17 H LEU 17 6.575 10.177 14.865 114 HA LEU 17 HA LEU 17 4.876 8.200 16.083 115 HB2 LEU 17 1HB LEU 17 7.220 9.866 16.935 116 HB3 LEU 17 2HB LEU 17 6.265 9.075 18.165 117 HG LEU 17 HG LEU 17 8.275 7.850 17.573 118 HD11 LEU 17 1HD1 LEU 17 6.495 6.650 18.600 119 HD12 LEU 17 2HD1 LEU 17 7.289 5.613 17.403 120 HD13 LEU 17 3HD1 LEU 17 5.734 6.382 17.028 121 HD21 LEU 17 1HD2 LEU 17 8.902 8.118 15.622 122 HD22 LEU 17 2HD2 LEU 17 7.305 7.845 14.930 123 HD23 LEU 17 3HD2 LEU 17 8.243 6.475 15.555 124 H GLN 18 H GLN 18 5.118 11.747 16.456 125 HA GLN 18 HA GLN 18 3.214 11.848 18.645 126 HB2 GLN 18 1HB GLN 18 4.138 13.919 16.624 127 HB3 GLN 18 2HB GLN 18 3.024 14.272 17.951 128 HG2 GLN 18 1HG GLN 18 4.705 13.629 19.590 129 HG3 GLN 18 2HG GLN 18 5.825 13.176 18.308 130 HE21 GLN 18 1HE2 GLN 18 6.484 16.632 19.668 131 HE22 GLN 18 2HE2 GLN 18 6.127 15.116 20.459 132 H PHE 19 H PHE 19 2.953 11.796 15.092 133 HA PHE 19 HA PHE 19 0.173 12.505 15.049 134 HB2 PHE 19 1HB PHE 19 1.681 12.611 13.088 135 HB3 PHE 19 2HB PHE 19 1.761 10.847 13.063 136 HD1 PHE 19 HD1 PHE 19 -0.024 9.511 12.154 137 HD2 PHE 19 HD2 PHE 19 -0.462 13.772 12.549 138 HE1 PHE 19 HE1 PHE 19 -2.078 9.422 10.747 139 HE2 PHE 19 HE2 PHE 19 -2.517 13.697 11.143 140 HZ PHE 19 HZ PHE 19 -3.334 11.518 10.242 141 H VAL 20 H VAL 20 1.770 9.226 14.943 142 HA VAL 20 HA VAL 20 -0.827 7.963 14.834 143 HB VAL 20 HB VAL 20 0.247 5.848 14.924 144 HG11 VAL 20 1HG1 VAL 20 2.164 7.704 13.489 145 HG12 VAL 20 2HG1 VAL 20 1.902 5.978 13.162 146 HG13 VAL 20 3HG1 VAL 20 0.603 7.154 12.843 147 HG21 VAL 20 1HG2 VAL 20 2.727 7.222 15.909 148 HG22 VAL 20 2HG2 VAL 20 1.648 6.147 16.831 149 HG23 VAL 20 3HG2 VAL 20 2.548 5.504 15.475 150 H CYS 21 H CYS 21 1.284 8.897 17.505 151 HA CYS 21 HA CYS 21 -0.346 7.258 19.394 152 HB2 CYS 21 1HB CYS 21 2.196 8.832 19.895 153 HB3 CYS 21 2HB CYS 21 1.408 7.731 21.024 154 H GLY 22 H GLY 22 -0.166 10.493 18.289 155 HA2 GLY 22 1HA GLY 22 -1.305 12.357 19.039 156 HA3 GLY 22 2HA GLY 22 -2.005 11.386 20.346 157 H ASP 23 H ASP 23 -1.650 13.366 21.588 158 HA ASP 23 HA ASP 23 1.040 14.220 22.273 159 HB2 ASP 23 1HB ASP 23 -0.071 15.617 23.894 160 HB3 ASP 23 2HB ASP 23 -1.062 15.631 22.424 161 H ARG 24 H ARG 24 -0.708 11.480 22.969 162 HA ARG 24 HA ARG 24 -0.352 11.228 25.792 163 HB2 ARG 24 1HB ARG 24 -0.638 8.891 23.904 164 HB3 ARG 24 2HB ARG 24 -1.274 9.085 25.544 165 HG2 ARG 24 1HG ARG 24 -2.564 11.142 24.311 166 HG3 ARG 24 2HG ARG 24 -2.358 10.052 22.930 167 HD2 ARG 24 1HD ARG 24 -4.336 9.270 23.723 168 HD3 ARG 24 2HD ARG 24 -3.244 8.280 24.723 169 HE ARG 24 HE ARG 24 -3.751 10.824 25.965 170 HH11 ARG 24 1HH1 ARG 24 -5.351 7.732 25.390 171 HH12 ARG 24 2HH1 ARG 24 -6.401 7.910 26.771 172 HH21 ARG 24 1HH2 ARG 24 -5.103 10.985 27.707 173 HH22 ARG 24 2HH2 ARG 24 -6.253 9.726 28.069 174 H GLY 25 H GLY 25 1.880 10.922 23.260 175 HA2 GLY 25 1HA GLY 25 4.180 10.761 23.657 176 HA3 GLY 25 2HA GLY 25 3.868 10.042 25.238 177 H PHE 26 H PHE 26 5.868 9.090 23.768 178 HA PHE 26 HA PHE 26 5.053 6.347 23.156 179 HB2 PHE 26 1HB PHE 26 6.081 6.431 20.901 180 HB3 PHE 26 2HB PHE 26 4.639 7.439 21.026 181 HD1 PHE 26 HD1 PHE 26 8.318 7.469 20.711 182 HD2 PHE 26 HD2 PHE 26 4.743 9.853 20.905 183 HE1 PHE 26 HE1 PHE 26 9.591 9.446 19.906 184 HE2 PHE 26 HE2 PHE 26 6.018 11.822 20.105 185 HZ PHE 26 HZ PHE 26 8.441 11.603 19.586 186 H TYR 27 H TYR 27 7.007 5.078 22.512 187 HA TYR 27 HA TYR 27 9.398 6.028 24.053 188 HB2 TYR 27 1HB TYR 27 8.512 3.277 23.083 189 HB3 TYR 27 2HB TYR 27 10.013 3.618 23.938 190 HD1 TYR 27 HD1 TYR 27 6.386 3.060 24.293 191 HD2 TYR 27 HD2 TYR 27 9.976 4.273 26.361 192 HE1 TYR 27 HE1 TYR 27 5.297 2.608 26.485 193 HE2 TYR 27 HE2 TYR 27 8.840 3.852 28.546 194 HH TYR 27 HH TYR 27 5.470 2.691 28.741 195 H PHE 28 H PHE 28 11.471 5.926 22.925 196 HA PHE 28 HA PHE 28 11.195 5.647 19.957 197 HB2 PHE 28 1HB PHE 28 12.542 7.520 21.513 198 HB3 PHE 28 2HB PHE 28 13.822 6.411 21.044 199 HD1 PHE 28 HD1 PHE 28 10.796 7.927 19.363 200 HD2 PHE 28 HD2 PHE 28 15.021 7.124 19.178 201 HE1 PHE 28 HE1 PHE 28 10.908 9.085 17.165 202 HE2 PHE 28 HE2 PHE 28 15.142 8.273 16.971 203 HZ PHE 28 HZ PHE 28 13.088 9.271 15.971 204 H ASN 29 H ASN 29 12.717 4.452 22.872 205 HA ASN 29 HA ASN 29 13.652 2.034 21.456 206 HB2 ASN 29 1HB ASN 29 15.824 2.530 22.973 207 HB3 ASN 29 2HB ASN 29 15.668 3.127 21.329 208 HD21 ASN 29 1HD2 ASN 29 16.438 6.299 22.449 209 HD22 ASN 29 2HD2 ASN 29 16.787 4.949 21.382 210 H ARG 30 H ARG 30 11.619 2.841 23.476 211 HA ARG 30 HA ARG 30 10.801 2.090 25.523 212 HB2 ARG 30 1HB ARG 30 11.818 -0.569 24.531 213 HB3 ARG 30 2HB ARG 30 10.305 -0.149 25.311 214 HG2 ARG 30 1HG ARG 30 9.961 1.326 23.157 215 HG3 ARG 30 2HG ARG 30 11.136 0.192 22.476 216 HD2 ARG 30 1HD ARG 30 8.501 -0.532 23.805 217 HD3 ARG 30 2HD ARG 30 8.780 -0.448 22.057 218 HE ARG 30 HE ARG 30 10.670 -2.225 23.272 219 HH11 ARG 30 1HH1 ARG 30 7.264 -2.088 22.325 220 HH12 ARG 30 2HH1 ARG 30 7.148 -3.818 22.154 221 HH21 ARG 30 1HH2 ARG 30 10.439 -4.427 23.038 222 HH22 ARG 30 2HH2 ARG 30 8.915 -5.113 22.547 223 HA PRO 31 HA PRO 31 14.939 0.954 27.168 224 HB2 PRO 31 1HB PRO 31 16.096 3.195 28.187 225 HB3 PRO 31 2HB PRO 31 16.016 2.864 26.438 226 HG2 PRO 31 1HG PRO 31 14.253 4.654 28.065 227 HG3 PRO 31 2HG PRO 31 15.058 4.976 26.501 228 HD2 PRO 31 1HD PRO 31 12.424 4.142 26.727 229 HD3 PRO 31 2HD PRO 31 13.453 3.800 25.306 230 H ALA 32 H ALA 32 12.929 3.249 28.852 231 HA ALA 32 HA ALA 32 12.403 3.671 31.000 232 HB1 ALA 32 1HB ALA 32 12.578 0.656 31.332 233 HB2 ALA 32 2HB ALA 32 11.616 1.776 32.326 234 HB3 ALA 32 3HB ALA 32 11.196 1.520 30.611 235 H SER 33 H SER 33 15.274 3.378 30.347 236 HA SER 33 HA SER 33 16.407 2.839 33.028 237 HB2 SER 33 1HB SER 33 17.672 3.005 30.290 238 HB3 SER 33 2HB SER 33 18.549 2.744 31.797 239 HG SER 33 HG SER 33 16.457 1.077 30.796 240 H ARG 34 H ARG 34 15.276 5.265 31.600 241 HA ARG 34 HA ARG 34 15.282 7.536 31.832 242 HB2 ARG 34 1HB ARG 34 15.882 6.434 34.237 243 HB3 ARG 34 2HB ARG 34 17.242 7.543 34.039 244 HG2 ARG 34 1HG ARG 34 15.832 9.413 33.966 245 HG3 ARG 34 2HG ARG 34 14.406 8.413 33.561 246 HD2 ARG 34 1HD ARG 34 14.554 7.313 35.702 247 HD3 ARG 34 2HD ARG 34 15.954 8.309 36.135 248 HE ARG 34 HE ARG 34 13.947 10.124 35.471 249 HH11 ARG 34 1HH1 ARG 34 14.250 7.568 37.889 250 HH12 ARG 34 2HH1 ARG 34 13.172 8.368 39.001 251 HH21 ARG 34 1HH2 ARG 34 12.605 11.098 36.955 252 HH22 ARG 34 2HH2 ARG 34 12.261 10.327 38.479 253 H VAL 35 H VAL 35 17.358 6.178 30.277 254 HA VAL 35 HA VAL 35 19.742 7.661 30.393 255 HB VAL 35 HB VAL 35 20.228 6.782 28.121 256 HG11 VAL 35 1HG1 VAL 35 20.135 4.393 28.684 257 HG12 VAL 35 2HG1 VAL 35 20.626 5.368 30.085 258 HG13 VAL 35 3HG1 VAL 35 18.972 4.738 29.978 259 HG21 VAL 35 1HG2 VAL 35 18.597 5.351 26.956 260 HG22 VAL 35 2HG2 VAL 35 17.382 5.656 28.207 261 HG23 VAL 35 3HG2 VAL 35 17.939 6.976 27.149 262 H SER 36 H SER 36 16.692 8.518 29.243 263 HA SER 36 HA SER 36 15.799 10.342 28.260 264 HB2 SER 36 1HB SER 36 17.329 11.441 29.981 265 HB3 SER 36 2HB SER 36 18.468 11.731 28.652 266 HG SER 36 HG SER 36 16.847 13.432 29.197 267 H ARG 37 H ARG 37 16.438 12.175 26.542 268 HA ARG 37 HA ARG 37 16.973 10.676 24.088 269 HB2 ARG 37 1HB ARG 37 16.354 13.592 24.661 270 HB3 ARG 37 2HB ARG 37 16.698 12.986 23.035 271 HG2 ARG 37 1HG ARG 37 14.827 11.378 23.231 272 HG3 ARG 37 2HG ARG 37 14.421 12.044 24.822 273 HD2 ARG 37 1HD ARG 37 14.565 13.773 22.332 274 HD3 ARG 37 2HD ARG 37 13.097 12.890 22.765 275 HE ARG 37 HE ARG 37 14.238 15.230 24.142 276 HH11 ARG 37 1HH1 ARG 37 11.753 12.712 24.199 277 HH12 ARG 37 2HH1 ARG 37 10.767 13.586 25.341 278 HH21 ARG 37 1HH2 ARG 37 12.921 16.276 25.602 279 HH22 ARG 37 2HH2 ARG 37 11.418 15.560 26.116 280 H ARG 38 H ARG 38 19.078 11.708 26.341 281 HA ARG 38 HA ARG 38 21.123 12.897 24.617 282 HB2 ARG 38 1HB ARG 38 21.228 11.702 27.417 283 HB3 ARG 38 2HB ARG 38 22.609 12.432 26.589 284 HG2 ARG 38 1HG ARG 38 21.380 14.588 26.460 285 HG3 ARG 38 2HG ARG 38 20.036 13.857 27.360 286 HD2 ARG 38 1HD ARG 38 21.424 15.103 28.919 287 HD3 ARG 38 2HD ARG 38 21.605 13.373 29.244 288 HE ARG 38 HE ARG 38 23.822 13.439 28.511 289 HH11 ARG 38 1HH1 ARG 38 22.352 16.610 27.956 290 HH12 ARG 38 2HH1 ARG 38 23.892 17.363 27.646 291 HH21 ARG 38 1HH2 ARG 38 25.737 14.478 28.098 292 HH22 ARG 38 2HH2 ARG 38 25.767 16.183 27.739 293 H SER 39 H SER 39 19.953 9.705 25.268 294 HA SER 39 HA SER 39 22.446 8.588 24.059 295 HB2 SER 39 1HB SER 39 22.060 7.882 26.408 296 HB3 SER 39 2HB SER 39 20.496 7.201 25.915 297 HG SER 39 HG SER 39 23.104 6.404 25.140 298 HA PRO 40 HA PRO 40 19.235 7.625 21.018 299 HB2 PRO 40 1HB PRO 40 20.800 7.272 18.834 300 HB3 PRO 40 2HB PRO 40 20.535 8.897 19.537 301 HG2 PRO 40 1HG PRO 40 22.848 7.016 19.955 302 HG3 PRO 40 2HG PRO 40 22.873 8.752 19.510 303 HD2 PRO 40 1HD PRO 40 23.189 7.863 22.080 304 HD3 PRO 40 2HD PRO 40 22.412 9.434 21.683 305 H GLN 41 H GLN 41 19.214 5.650 22.620 306 HA GLN 41 HA GLN 41 20.679 3.290 21.848 307 HB2 GLN 41 1HB GLN 41 18.151 3.586 23.508 308 HB3 GLN 41 2HB GLN 41 19.108 2.106 23.353 309 HG2 GLN 41 1HG GLN 41 21.089 3.434 24.235 310 HG3 GLN 41 2HG GLN 41 19.942 4.721 24.635 311 HE21 GLN 41 1HE2 GLN 41 20.538 1.846 27.255 312 HE22 GLN 41 2HE2 GLN 41 21.636 2.349 25.992 313 H ARG 42 H ARG 42 19.752 1.292 21.090 314 HA ARG 42 HA ARG 42 18.562 1.588 18.541 315 HB2 ARG 42 1HB ARG 42 18.802 -0.864 20.321 316 HB3 ARG 42 2HB ARG 42 18.447 -0.884 18.594 317 HG2 ARG 42 1HG ARG 42 20.641 0.294 18.208 318 HG3 ARG 42 2HG ARG 42 21.014 0.053 19.921 319 HD2 ARG 42 1HD ARG 42 20.944 -2.344 19.670 320 HD3 ARG 42 2HD ARG 42 20.307 -2.197 18.018 321 HE ARG 42 HE ARG 42 22.748 -0.792 18.117 322 HH11 ARG 42 1HH1 ARG 42 21.616 -4.124 18.226 323 HH12 ARG 42 2HH1 ARG 42 23.097 -4.751 17.554 324 HH21 ARG 42 1HH2 ARG 42 24.609 -1.653 17.270 325 HH22 ARG 42 2HH2 ARG 42 24.763 -3.370 17.019 326 H GLY 43 H GLY 43 16.540 1.183 17.708 327 HA2 GLY 43 1HA GLY 43 14.333 0.074 19.023 328 HA3 GLY 43 2HA GLY 43 14.354 1.790 19.447 329 H ILE 44 H ILE 44 12.717 2.686 18.277 330 HA ILE 44 HA ILE 44 11.829 1.751 15.754 331 HB ILE 44 HB ILE 44 10.503 3.220 17.346 332 HG12 ILE 44 1HG1 ILE 44 9.664 4.839 15.525 333 HG13 ILE 44 2HG1 ILE 44 10.815 4.079 14.455 334 HG21 ILE 44 1HG2 ILE 44 12.092 5.548 16.180 335 HG22 ILE 44 2HG2 ILE 44 10.818 5.607 17.417 336 HG23 ILE 44 3HG2 ILE 44 12.386 4.874 17.790 337 HD11 ILE 44 1HD1 ILE 44 9.711 1.884 14.870 338 HD12 ILE 44 2HD1 ILE 44 8.497 2.739 15.858 339 HD13 ILE 44 3HD1 ILE 44 8.648 3.101 14.128 340 H VAL 45 H VAL 45 14.370 4.040 16.589 341 HA VAL 45 HA VAL 45 14.678 5.198 14.029 342 HB VAL 45 HB VAL 45 15.732 6.244 15.895 343 HG11 VAL 45 1HG1 VAL 45 17.319 3.682 16.289 344 HG12 VAL 45 2HG1 VAL 45 17.632 5.209 17.135 345 HG13 VAL 45 3HG1 VAL 45 16.092 4.375 17.385 346 HG21 VAL 45 1HG2 VAL 45 16.888 6.444 13.700 347 HG22 VAL 45 2HG2 VAL 45 17.997 6.606 15.081 348 HG23 VAL 45 3HG2 VAL 45 17.946 5.091 14.155 349 H GLU 46 H GLU 46 15.821 2.051 15.283 350 HA GLU 46 HA GLU 46 17.502 1.624 12.938 351 HB2 GLU 46 1HB GLU 46 16.450 -0.374 14.951 352 HB3 GLU 46 2HB GLU 46 17.713 -0.648 13.741 353 HG2 GLU 46 1HG GLU 46 18.886 1.383 14.882 354 HG3 GLU 46 2HG GLU 46 17.820 1.003 16.243 355 H GLU 47 H GLU 47 14.148 1.204 13.761 356 HA GLU 47 HA GLU 47 13.731 -0.695 11.553 357 HB2 GLU 47 1HB GLU 47 11.799 0.568 13.533 358 HB3 GLU 47 2HB GLU 47 11.381 -0.660 12.323 359 HG2 GLU 47 1HG GLU 47 13.023 -2.214 13.364 360 HG3 GLU 47 2HG GLU 47 13.374 -0.996 14.599 361 H CYS 48 H CYS 48 13.374 2.760 12.142 362 HA CYS 48 HA CYS 48 11.974 2.999 9.511 363 HB2 CYS 48 1HB CYS 48 12.028 4.860 11.892 364 HB3 CYS 48 2HB CYS 48 11.251 5.222 10.348 365 H CYS 49 H CYS 49 14.995 3.904 11.072 366 HA CYS 49 HA CYS 49 15.457 5.877 8.864 367 HB2 CYS 49 1HB CYS 49 15.779 6.682 11.197 368 HB3 CYS 49 2HB CYS 49 17.063 5.485 11.402 369 H PHE 50 H PHE 50 16.896 3.063 10.556 370 HA PHE 50 HA PHE 50 18.939 2.788 8.446 371 HB2 PHE 50 1HB PHE 50 18.246 1.085 10.864 372 HB3 PHE 50 2HB PHE 50 19.546 0.713 9.735 373 HD1 PHE 50 HD1 PHE 50 21.673 1.790 9.879 374 HD2 PHE 50 HD2 PHE 50 18.395 3.224 12.250 375 HE1 PHE 50 HE1 PHE 50 23.240 3.216 11.198 376 HE2 PHE 50 HE2 PHE 50 19.942 4.619 13.580 377 HZ PHE 50 HZ PHE 50 22.359 4.638 13.058 378 H ARG 51 H ARG 51 15.704 1.881 8.942 379 HA ARG 51 HA ARG 51 15.761 0.082 6.588 380 HB2 ARG 51 1HB ARG 51 14.514 -0.620 9.281 381 HB3 ARG 51 2HB ARG 51 14.101 -1.435 7.779 382 HG2 ARG 51 1HG ARG 51 16.866 -1.403 9.006 383 HG3 ARG 51 2HG ARG 51 15.687 -2.718 9.158 384 HD2 ARG 51 1HD ARG 51 15.651 -2.931 6.674 385 HD3 ARG 51 2HD ARG 51 16.910 -1.684 6.571 386 HE ARG 51 HE ARG 51 17.767 -3.773 8.313 387 HH11 ARG 51 1HH1 ARG 51 17.298 -3.127 4.878 388 HH12 ARG 51 2HH1 ARG 51 18.497 -4.296 4.393 389 HH21 ARG 51 1HH2 ARG 51 19.294 -5.242 7.625 390 HH22 ARG 51 2HH2 ARG 51 19.607 -5.469 5.926 391 H SER 52 H SER 52 13.307 -0.354 6.098 392 HA SER 52 HA SER 52 11.917 2.274 6.251 393 HB2 SER 52 1HB SER 52 12.195 1.334 4.006 394 HB3 SER 52 2HB SER 52 11.483 -0.203 4.534 395 HG SER 52 HG SER 52 10.106 2.282 4.663 396 H CYS 53 H CYS 53 9.699 2.351 6.940 397 HA CYS 53 HA CYS 53 8.634 -0.081 8.265 398 HB2 CYS 53 1HB CYS 53 8.273 1.041 10.361 399 HB3 CYS 53 2HB CYS 53 9.987 1.132 9.963 400 H ASP 54 H ASP 54 6.395 0.620 9.287 401 HA ASP 54 HA ASP 54 4.976 2.484 7.429 402 HB2 ASP 54 1HB ASP 54 4.500 0.194 6.693 403 HB3 ASP 54 2HB ASP 54 4.164 -0.298 8.363 404 H LEU 55 H LEU 55 2.862 3.176 8.444 405 HA LEU 55 HA LEU 55 3.269 4.233 11.046 406 HB2 LEU 55 1HB LEU 55 1.455 5.388 10.515 407 HB3 LEU 55 2HB LEU 55 1.432 4.473 9.005 408 HG LEU 55 HG LEU 55 -0.149 3.428 11.321 409 HD11 LEU 55 1HD1 LEU 55 -0.961 5.690 9.455 410 HD12 LEU 55 2HD1 LEU 55 -0.706 5.809 11.213 411 HD13 LEU 55 3HD1 LEU 55 -2.042 4.829 10.578 412 HD21 LEU 55 1HD2 LEU 55 -0.624 3.488 8.300 413 HD22 LEU 55 2HD2 LEU 55 -1.594 2.617 9.511 414 HD23 LEU 55 3HD2 LEU 55 0.073 2.116 9.178 415 H ALA 56 H ALA 56 1.819 1.185 9.996 416 HA ALA 56 HA ALA 56 0.548 0.619 12.504 417 HB1 ALA 56 1HB ALA 56 1.509 -1.261 10.335 418 HB2 ALA 56 2HB ALA 56 0.216 -1.563 11.531 419 HB3 ALA 56 3HB ALA 56 0.008 -0.312 10.264 420 H LEU 57 H LEU 57 3.727 -0.192 11.118 421 HA LEU 57 HA LEU 57 4.614 -1.855 13.316 422 HB2 LEU 57 1HB LEU 57 5.651 -1.844 11.073 423 HB3 LEU 57 2HB LEU 57 6.142 -0.176 11.281 424 HG LEU 57 HG LEU 57 7.211 -2.373 13.067 425 HD11 LEU 57 1HD1 LEU 57 8.332 -1.389 10.412 426 HD12 LEU 57 2HD1 LEU 57 7.614 -2.988 10.717 427 HD13 LEU 57 3HD1 LEU 57 9.125 -2.525 11.525 428 HD21 LEU 57 1HD2 LEU 57 8.097 0.460 12.406 429 HD22 LEU 57 2HD2 LEU 57 9.220 -0.742 13.067 430 HD23 LEU 57 3HD2 LEU 57 7.797 -0.264 13.997 431 H LEU 58 H LEU 58 4.873 1.583 12.439 432 HA LEU 58 HA LEU 58 6.536 2.371 14.547 433 HB2 LEU 58 1HB LEU 58 6.036 3.487 12.380 434 HB3 LEU 58 2HB LEU 58 4.467 3.956 13.028 435 HG LEU 58 HG LEU 58 6.758 4.656 14.704 436 HD11 LEU 58 1HD1 LEU 58 7.754 5.066 12.529 437 HD12 LEU 58 2HD1 LEU 58 7.409 6.575 13.381 438 HD13 LEU 58 3HD1 LEU 58 6.346 6.044 12.056 439 HD21 LEU 58 1HD2 LEU 58 4.569 5.373 15.258 440 HD22 LEU 58 2HD2 LEU 58 4.325 6.095 13.653 441 HD23 LEU 58 3HD2 LEU 58 5.507 6.786 14.788 442 H GLU 59 H GLU 59 3.016 2.162 14.363 443 HA GLU 59 HA GLU 59 2.364 3.594 16.713 444 HB2 GLU 59 1HB GLU 59 0.815 2.984 14.959 445 HB3 GLU 59 2HB GLU 59 1.028 1.265 15.300 446 HG2 GLU 59 1HG GLU 59 0.098 2.843 17.612 447 HG3 GLU 59 2HG GLU 59 -0.998 2.823 16.231 448 HE2 GLU 59 HE2 GLU 59 -2.131 -0.210 16.927 449 H THR 60 H THR 60 3.690 0.347 16.401 450 HA THR 60 HA THR 60 2.773 -0.661 18.899 451 HB THR 60 HB THR 60 4.507 -2.341 18.714 452 HG1 THR 60 HG1 THR 60 5.587 -0.904 16.504 453 HG21 THR 60 1HG2 THR 60 2.537 -2.372 17.104 454 HG22 THR 60 2HG2 THR 60 3.985 -3.230 16.526 455 HG23 THR 60 3HG2 THR 60 3.594 -1.618 15.893 456 H TYR 61 H TYR 61 5.077 1.807 18.250 457 HA TYR 61 HA TYR 61 6.499 1.426 20.808 458 HB2 TYR 61 1HB TYR 61 6.784 3.215 18.418 459 HB3 TYR 61 2HB TYR 61 7.503 3.702 19.945 460 HD1 TYR 61 HD1 TYR 61 7.531 1.017 17.350 461 HD2 TYR 61 HD2 TYR 61 9.495 2.676 20.799 462 HE1 TYR 61 HE1 TYR 61 9.517 -0.425 16.914 463 HE2 TYR 61 HE2 TYR 61 11.485 1.225 20.375 464 HH TYR 61 HH TYR 61 11.608 -1.027 17.583 465 H CYS 62 H CYS 62 3.480 2.723 20.123 466 HA CYS 62 HA CYS 62 3.607 5.243 21.475 467 HB2 CYS 62 1HB CYS 62 1.312 3.267 21.262 468 HB3 CYS 62 2HB CYS 62 1.169 4.917 21.874 469 H ALA 63 H ALA 63 3.043 5.864 23.609 470 HA ALA 63 HA ALA 63 4.249 4.050 25.512 471 HB1 ALA 63 1HB ALA 63 3.896 5.907 27.121 472 HB2 ALA 63 2HB ALA 63 4.713 6.422 25.630 473 HB3 ALA 63 3HB ALA 63 2.983 6.786 25.872 474 H THR 64 H THR 64 1.023 4.545 24.509 475 HA THR 64 HA THR 64 0.072 2.688 26.538 476 HB THR 64 HB THR 64 -0.143 5.091 27.524 477 HG1 THR 64 HG1 THR 64 -2.093 4.562 28.435 478 HG21 THR 64 1HG2 THR 64 -2.486 5.190 25.619 479 HG22 THR 64 2HG2 THR 64 -0.974 6.101 25.370 480 HG23 THR 64 3HG2 THR 64 -1.988 6.431 26.792 481 HA PRO 65 HA PRO 65 -2.050 1.717 22.789 482 HB2 PRO 65 1HB PRO 65 -4.186 0.250 23.614 483 HB3 PRO 65 2HB PRO 65 -2.503 -0.336 23.802 484 HG2 PRO 65 1HG PRO 65 -4.264 1.048 25.824 485 HG3 PRO 65 2HG PRO 65 -3.328 -0.472 26.005 486 HD2 PRO 65 1HD PRO 65 -2.378 1.939 26.861 487 HD3 PRO 65 2HD PRO 65 -1.294 0.675 26.197 488 H ALA 66 H ALA 66 -3.886 2.138 21.488 489 HA ALA 66 HA ALA 66 -5.452 4.488 22.328 490 HB1 ALA 66 1HB ALA 66 -5.429 2.898 19.712 491 HB2 ALA 66 2HB ALA 66 -6.261 4.446 19.980 492 HB3 ALA 66 3HB ALA 66 -4.482 4.375 20.031 493 H LYS 67 H LYS 67 -7.830 4.468 21.996 494 HA LYS 67 HA LYS 67 -9.101 1.810 21.882 495 HB2 LYS 67 1HB LYS 67 -8.863 2.261 24.309 496 HB3 LYS 67 2HB LYS 67 -9.718 3.797 24.108 497 HG2 LYS 67 1HG LYS 67 -11.742 2.631 23.387 498 HG3 LYS 67 2HG LYS 67 -10.910 1.071 23.445 499 HD2 LYS 67 1HD LYS 67 -11.280 2.861 25.873 500 HD3 LYS 67 2HD LYS 67 -12.422 1.586 25.401 501 HE2 LYS 67 1HE LYS 67 -10.546 -0.077 25.500 502 HE3 LYS 67 2HE LYS 67 -9.488 1.204 26.129 503 HZ1 LYS 67 1HZ LYS 67 -11.000 1.437 28.007 504 HZ2 LYS 67 2HZ LYS 67 -10.449 -0.116 27.908 505 HZ3 LYS 67 3HZ LYS 67 -11.981 0.249 27.417 506 H SER 68 H SER 68 -10.256 2.083 20.109 507 HA SER 68 HA SER 68 -11.379 4.729 19.440 508 HB2 SER 68 1HB SER 68 -11.427 2.133 17.863 509 HB3 SER 68 2HB SER 68 -11.715 3.777 17.247 510 HG SER 68 HG SER 68 -9.591 3.163 16.806 511 H GLU 69 H GLU 69 -12.511 3.368 21.660 512 HA GLU 69 HA GLU 69 -14.455 2.638 22.596 513 HB2 GLU 69 1HB GLU 69 -15.244 4.744 21.352 514 HB3 GLU 69 2HB GLU 69 -15.905 3.643 20.143 515 HG2 GLU 69 1HG GLU 69 -17.137 2.517 22.126 516 HG3 GLU 69 2HG GLU 69 -16.699 3.963 23.046 Start of MODEL 19 1 H1 ALA 1 1H ALA 1 9.435 18.260 -4.968 2 H2 ALA 1 2H ALA 1 8.637 19.352 -5.916 3 H3 ALA 1 3H ALA 1 8.190 19.141 -4.341 4 HA ALA 1 HA ALA 1 6.604 18.069 -5.767 5 HB1 ALA 1 1HB ALA 1 9.029 16.446 -6.711 6 HB2 ALA 1 2HB ALA 1 7.338 16.160 -7.184 7 HB3 ALA 1 3HB ALA 1 8.155 17.661 -7.682 8 H TYR 2 H TYR 2 5.623 15.990 -5.171 9 HA TYR 2 HA TYR 2 6.223 15.267 -2.448 10 HB2 TYR 2 1HB TYR 2 3.956 15.177 -3.348 11 HB3 TYR 2 2HB TYR 2 4.456 14.018 -4.587 12 HD1 TYR 2 HD1 TYR 2 4.081 14.445 -0.869 13 HD2 TYR 2 HD2 TYR 2 4.450 11.672 -4.147 14 HE1 TYR 2 HE1 TYR 2 3.593 12.542 0.671 15 HE2 TYR 2 HE2 TYR 2 3.948 9.785 -2.596 16 HH TYR 2 HH TYR 2 3.418 10.250 0.888 17 H ARG 3 H ARG 3 7.063 13.324 -1.625 18 HA ARG 3 HA ARG 3 8.153 11.328 -3.498 19 HB2 ARG 3 1HB ARG 3 10.257 11.233 -2.363 20 HB3 ARG 3 2HB ARG 3 10.022 12.898 -2.891 21 HG2 ARG 3 1HG ARG 3 9.253 13.445 -0.564 22 HG3 ARG 3 2HG ARG 3 9.662 11.781 -0.108 23 HD2 ARG 3 1HD ARG 3 11.974 12.204 -0.952 24 HD3 ARG 3 2HD ARG 3 11.525 13.916 -1.117 25 HE ARG 3 HE ARG 3 10.865 12.923 1.511 26 HH11 ARG 3 1HH1 ARG 3 13.679 13.959 -0.365 27 HH12 ARG 3 2HH1 ARG 3 14.580 14.396 1.061 28 HH21 ARG 3 1HH2 ARG 3 12.076 13.499 3.274 29 HH22 ARG 3 2HH2 ARG 3 13.686 14.138 3.086 30 HA PRO 4 HA PRO 4 5.837 9.061 -0.606 31 HB2 PRO 4 1HB PRO 4 7.018 6.595 -0.446 32 HB3 PRO 4 2HB PRO 4 6.169 7.186 -1.911 33 HG2 PRO 4 1HG PRO 4 9.120 7.264 -1.296 34 HG3 PRO 4 2HG PRO 4 8.288 6.622 -2.751 35 HD2 PRO 4 1HD PRO 4 9.321 9.109 -2.749 36 HD3 PRO 4 2HD PRO 4 7.731 8.783 -3.525 37 H SER 5 H SER 5 9.285 9.113 0.243 38 HA SER 5 HA SER 5 10.390 9.049 2.232 39 HB2 SER 5 1HB SER 5 7.839 10.239 3.322 40 HB3 SER 5 2HB SER 5 9.479 10.426 3.976 41 HG SER 5 HG SER 5 8.242 11.618 1.790 42 H GLU 6 H GLU 6 9.655 6.538 1.827 43 HA GLU 6 HA GLU 6 7.999 5.399 3.914 44 HB2 GLU 6 1HB GLU 6 8.704 3.284 2.985 45 HB3 GLU 6 2HB GLU 6 8.370 4.412 1.666 46 HG2 GLU 6 1HG GLU 6 10.929 4.892 1.716 47 HG3 GLU 6 2HG GLU 6 11.036 3.387 2.641 48 H THR 7 H THR 7 10.959 6.829 4.109 49 HA THR 7 HA THR 7 11.766 5.199 6.477 50 HB THR 7 HB THR 7 14.096 6.091 6.015 51 HG1 THR 7 HG1 THR 7 13.318 7.746 4.554 52 HG21 THR 7 1HG2 THR 7 14.628 4.480 4.281 53 HG22 THR 7 2HG2 THR 7 12.911 4.362 3.830 54 HG23 THR 7 3HG2 THR 7 13.455 3.807 5.432 55 H LEU 8 H LEU 8 12.316 6.353 8.256 56 HA LEU 8 HA LEU 8 12.094 9.335 8.105 57 HB2 LEU 8 1HB LEU 8 10.874 7.570 10.199 58 HB3 LEU 8 2HB LEU 8 10.898 9.322 10.232 59 HG LEU 8 HG LEU 8 9.454 7.643 8.271 60 HD11 LEU 8 1HD1 LEU 8 8.518 7.372 10.422 61 HD12 LEU 8 2HD1 LEU 8 7.437 8.301 9.372 62 HD13 LEU 8 3HD1 LEU 8 8.409 9.139 10.592 63 HD21 LEU 8 1HD2 LEU 8 9.056 10.596 8.841 64 HD22 LEU 8 2HD2 LEU 8 8.424 9.666 7.459 65 HD23 LEU 8 3HD2 LEU 8 10.163 10.029 7.561 66 H CYS 9 H CYS 9 13.320 10.416 9.404 67 HA CYS 9 HA CYS 9 15.108 8.870 11.262 68 HB2 CYS 9 1HB CYS 9 15.852 10.952 9.200 69 HB3 CYS 9 2HB CYS 9 16.954 10.403 10.476 70 H GLY 10 H GLY 10 16.619 11.019 12.197 71 HA2 GLY 10 1HA GLY 10 15.051 11.769 14.372 72 HA3 GLY 10 2HA GLY 10 16.552 12.567 13.896 73 H GLY 11 H GLY 11 13.276 12.926 14.420 74 HA2 GLY 11 1HA GLY 11 12.428 15.236 14.481 75 HA3 GLY 11 2HA GLY 11 13.224 15.507 12.920 76 H GLU 12 H GLU 12 12.539 13.686 11.197 77 HA GLU 12 HA GLU 12 9.714 14.109 10.801 78 HB2 GLU 12 1HB GLU 12 11.124 11.823 9.464 79 HB3 GLU 12 2HB GLU 12 9.933 12.940 8.808 80 HG2 GLU 12 1HG GLU 12 11.683 13.832 7.729 81 HG3 GLU 12 2HG GLU 12 12.047 14.630 9.265 82 H LEU 13 H LEU 13 11.639 11.398 12.041 83 HA LEU 13 HA LEU 13 9.487 9.519 12.154 84 HB2 LEU 13 1HB LEU 13 11.946 9.048 12.267 85 HB3 LEU 13 2HB LEU 13 11.962 9.671 13.903 86 HG LEU 13 HG LEU 13 10.767 7.814 14.741 87 HD11 LEU 13 1HD1 LEU 13 9.857 6.001 13.274 88 HD12 LEU 13 2HD1 LEU 13 10.151 7.013 11.856 89 HD13 LEU 13 3HD1 LEU 13 9.000 7.532 13.097 90 HD21 LEU 13 1HD2 LEU 13 12.178 5.920 13.933 91 HD22 LEU 13 2HD2 LEU 13 13.113 7.395 14.243 92 HD23 LEU 13 3HD2 LEU 13 12.711 6.925 12.575 93 H VAL 14 H VAL 14 10.705 11.975 14.375 94 HA VAL 14 HA VAL 14 9.123 11.190 16.646 95 HB VAL 14 HB VAL 14 10.429 13.839 15.866 96 HG11 VAL 14 1HG1 VAL 14 8.964 13.116 18.432 97 HG12 VAL 14 2HG1 VAL 14 10.068 14.500 18.276 98 HG13 VAL 14 3HG1 VAL 14 8.581 14.439 17.311 99 HG21 VAL 14 1HG2 VAL 14 11.953 11.938 16.386 100 HG22 VAL 14 2HG2 VAL 14 12.072 13.244 17.585 101 HG23 VAL 14 3HG2 VAL 14 11.162 11.763 17.971 102 H ASP 15 H ASP 15 8.628 13.524 13.950 103 HA ASP 15 HA ASP 15 6.160 14.509 14.977 104 HB2 ASP 15 1HB ASP 15 7.596 15.484 13.112 105 HB3 ASP 15 2HB ASP 15 6.875 14.268 12.045 106 H THR 16 H THR 16 6.909 11.789 12.762 107 HA THR 16 HA THR 16 4.165 11.102 12.308 108 HB THR 16 HB THR 16 6.600 9.285 12.283 109 HG1 THR 16 HG1 THR 16 6.908 11.074 10.933 110 HG21 THR 16 1HG2 THR 16 3.901 9.143 10.892 111 HG22 THR 16 2HG2 THR 16 4.507 8.043 12.155 112 HG23 THR 16 3HG2 THR 16 5.285 8.079 10.561 113 H LEU 17 H LEU 17 6.486 10.115 14.857 114 HA LEU 17 HA LEU 17 4.735 8.172 16.066 115 HB2 LEU 17 1HB LEU 17 7.101 9.777 16.998 116 HB3 LEU 17 2HB LEU 17 6.170 8.814 18.153 117 HG LEU 17 HG LEU 17 7.082 7.511 15.610 118 HD11 LEU 17 1HD1 LEU 17 8.881 7.799 18.014 119 HD12 LEU 17 2HD1 LEU 17 9.057 8.697 16.487 120 HD13 LEU 17 3HD1 LEU 17 9.207 6.938 16.487 121 HD21 LEU 17 1HD2 LEU 17 7.152 5.514 16.997 122 HD22 LEU 17 2HD2 LEU 17 5.600 6.329 17.249 123 HD23 LEU 17 3HD2 LEU 17 6.883 6.476 18.469 124 H GLN 18 H GLN 18 5.097 11.702 16.455 125 HA GLN 18 HA GLN 18 3.189 11.893 18.620 126 HB2 GLN 18 1HB GLN 18 4.133 13.883 16.538 127 HB3 GLN 18 2HB GLN 18 3.010 14.297 17.835 128 HG2 GLN 18 1HG GLN 18 4.674 13.701 19.523 129 HG3 GLN 18 2HG GLN 18 5.811 13.212 18.270 130 HE21 GLN 18 1HE2 GLN 18 5.934 16.826 17.180 131 HE22 GLN 18 2HE2 GLN 18 5.234 15.410 16.444 132 H PHE 19 H PHE 19 2.903 11.811 15.052 133 HA PHE 19 HA PHE 19 0.128 12.529 15.032 134 HB2 PHE 19 1HB PHE 19 1.629 12.606 13.063 135 HB3 PHE 19 2HB PHE 19 1.681 10.842 13.043 136 HD1 PHE 19 HD1 PHE 19 -0.113 9.537 12.122 137 HD2 PHE 19 HD2 PHE 19 -0.509 13.800 12.559 138 HE1 PHE 19 HE1 PHE 19 -2.176 9.481 10.727 139 HE2 PHE 19 HE2 PHE 19 -2.574 13.757 11.165 140 HZ PHE 19 HZ PHE 19 -3.413 11.594 10.245 141 H VAL 20 H VAL 20 1.695 9.235 14.965 142 HA VAL 20 HA VAL 20 -0.905 7.975 14.881 143 HB VAL 20 HB VAL 20 0.178 5.857 15.083 144 HG11 VAL 20 1HG1 VAL 20 1.999 7.675 13.478 145 HG12 VAL 20 2HG1 VAL 20 1.745 5.933 13.239 146 HG13 VAL 20 3HG1 VAL 20 0.417 7.077 12.930 147 HG21 VAL 20 1HG2 VAL 20 2.539 5.604 15.532 148 HG22 VAL 20 2HG2 VAL 20 2.669 7.344 15.882 149 HG23 VAL 20 3HG2 VAL 20 1.676 6.281 16.900 150 H CYS 21 H CYS 21 1.262 8.940 17.516 151 HA CYS 21 HA CYS 21 -0.383 7.414 19.466 152 HB2 CYS 21 1HB CYS 21 2.160 8.974 19.952 153 HB3 CYS 21 2HB CYS 21 1.368 7.867 21.071 154 H GLY 22 H GLY 22 0.222 10.810 18.575 155 HA2 GLY 22 1HA GLY 22 -0.641 12.736 19.484 156 HA3 GLY 22 2HA GLY 22 -1.971 11.743 20.099 157 H ASP 23 H ASP 23 -2.169 12.833 22.013 158 HA ASP 23 HA ASP 23 -0.053 13.440 23.798 159 HB2 ASP 23 1HB ASP 23 -2.966 12.890 24.443 160 HB3 ASP 23 2HB ASP 23 -1.837 13.863 25.400 161 H ARG 24 H ARG 24 -1.155 10.338 23.014 162 HA ARG 24 HA ARG 24 -1.113 9.164 25.667 163 HB2 ARG 24 1HB ARG 24 -0.857 7.971 22.912 164 HB3 ARG 24 2HB ARG 24 -0.789 7.006 24.375 165 HG2 ARG 24 1HG ARG 24 -3.019 7.411 24.930 166 HG3 ARG 24 2HG ARG 24 -3.120 8.862 23.920 167 HD2 ARG 24 1HD ARG 24 -2.531 6.267 22.572 168 HD3 ARG 24 2HD ARG 24 -4.184 6.560 23.158 169 HE ARG 24 HE ARG 24 -3.838 8.843 21.915 170 HH11 ARG 24 1HH1 ARG 24 -2.632 5.745 20.715 171 HH12 ARG 24 2HH1 ARG 24 -2.701 6.269 19.045 172 HH21 ARG 24 1HH2 ARG 24 -3.958 9.392 19.744 173 HH22 ARG 24 2HH2 ARG 24 -3.443 8.263 18.517 174 H GLY 25 H GLY 25 1.279 10.242 23.419 175 HA2 GLY 25 1HA GLY 25 3.556 10.440 23.793 176 HA3 GLY 25 2HA GLY 25 3.387 9.517 25.296 177 H PHE 26 H PHE 26 5.565 8.983 23.858 178 HA PHE 26 HA PHE 26 5.085 6.237 22.942 179 HB2 PHE 26 1HB PHE 26 6.189 6.570 20.785 180 HB3 PHE 26 2HB PHE 26 4.719 7.536 20.905 181 HD1 PHE 26 HD1 PHE 26 4.798 9.972 21.087 182 HD2 PHE 26 HD2 PHE 26 8.383 7.641 20.693 183 HE1 PHE 26 HE1 PHE 26 6.069 12.033 20.493 184 HE2 PHE 26 HE2 PHE 26 9.666 9.690 20.100 185 HZ PHE 26 HZ PHE 26 8.512 11.890 20.008 186 H TYR 27 H TYR 27 7.094 5.143 22.358 187 HA TYR 27 HA TYR 27 9.416 6.098 24.007 188 HB2 TYR 27 1HB TYR 27 8.577 3.328 23.042 189 HB3 TYR 27 2HB TYR 27 10.073 3.694 23.893 190 HD1 TYR 27 HD1 TYR 27 10.007 4.440 26.308 191 HD2 TYR 27 HD2 TYR 27 6.492 2.967 24.270 192 HE1 TYR 27 HE1 TYR 27 8.916 3.975 28.501 193 HE2 TYR 27 HE2 TYR 27 5.453 2.468 26.476 194 HH TYR 27 HH TYR 27 7.060 3.164 29.575 195 H PHE 28 H PHE 28 11.582 5.607 22.900 196 HA PHE 28 HA PHE 28 11.231 5.607 19.921 197 HB2 PHE 28 1HB PHE 28 12.705 7.326 21.533 198 HB3 PHE 28 2HB PHE 28 13.916 6.150 21.028 199 HD1 PHE 28 HD1 PHE 28 11.031 8.024 19.456 200 HD2 PHE 28 HD2 PHE 28 15.138 6.772 19.138 201 HE1 PHE 28 HE1 PHE 28 11.224 9.220 17.280 202 HE2 PHE 28 HE2 PHE 28 15.340 7.991 16.976 203 HZ PHE 28 HZ PHE 28 13.378 9.204 16.036 204 H ASN 29 H ASN 29 12.879 4.293 22.747 205 HA ASN 29 HA ASN 29 13.352 1.757 21.301 206 HB2 ASN 29 1HB ASN 29 15.627 1.824 22.539 207 HB3 ASN 29 2HB ASN 29 15.452 2.676 21.030 208 HD21 ASN 29 1HD2 ASN 29 17.067 5.278 22.710 209 HD22 ASN 29 2HD2 ASN 29 17.199 3.984 21.544 210 H ARG 30 H ARG 30 11.493 2.713 23.361 211 HA ARG 30 HA ARG 30 10.631 2.001 25.403 212 HB2 ARG 30 1HB ARG 30 11.621 -0.677 24.424 213 HB3 ARG 30 2HB ARG 30 10.200 -0.305 25.362 214 HG2 ARG 30 1HG ARG 30 9.370 0.947 23.405 215 HG3 ARG 30 2HG ARG 30 10.790 0.336 22.507 216 HD2 ARG 30 1HD ARG 30 10.106 -1.928 22.821 217 HD3 ARG 30 2HD ARG 30 8.895 -1.456 24.028 218 HE ARG 30 HE ARG 30 7.555 -0.500 22.329 219 HH11 ARG 30 1HH1 ARG 30 10.215 -2.395 20.985 220 HH12 ARG 30 2HH1 ARG 30 9.424 -2.572 19.442 221 HH21 ARG 30 1HH2 ARG 30 6.588 -0.814 20.351 222 HH22 ARG 30 2HH2 ARG 30 7.418 -1.690 19.089 223 HA PRO 31 HA PRO 31 14.817 1.046 27.001 224 HB2 PRO 31 1HB PRO 31 15.820 3.347 28.046 225 HB3 PRO 31 2HB PRO 31 15.727 3.044 26.299 226 HG2 PRO 31 1HG PRO 31 13.835 4.629 27.971 227 HG3 PRO 31 2HG PRO 31 14.655 5.099 26.449 228 HD2 PRO 31 1HD PRO 31 12.112 4.072 26.507 229 HD3 PRO 31 2HD PRO 31 13.238 3.786 25.145 230 H ALA 32 H ALA 32 12.421 2.887 28.495 231 HA ALA 32 HA ALA 32 11.563 3.181 30.589 232 HB1 ALA 32 1HB ALA 32 11.401 1.217 32.035 233 HB2 ALA 32 2HB ALA 32 11.181 0.726 30.335 234 HB3 ALA 32 3HB ALA 32 12.732 0.428 31.158 235 H SER 33 H SER 33 14.325 3.987 30.013 236 HA SER 33 HA SER 33 15.112 4.680 32.763 237 HB2 SER 33 1HB SER 33 17.460 3.948 32.342 238 HB3 SER 33 2HB SER 33 16.325 2.582 32.380 239 HG SER 33 HG SER 33 16.513 2.311 30.264 240 H ARG 34 H ARG 34 16.485 6.522 32.802 241 HA ARG 34 HA ARG 34 16.645 8.015 30.199 242 HB2 ARG 34 1HB ARG 34 15.869 9.074 32.928 243 HB3 ARG 34 2HB ARG 34 16.021 10.044 31.463 244 HG2 ARG 34 1HG ARG 34 14.100 8.983 30.467 245 HG3 ARG 34 2HG ARG 34 14.008 7.786 31.780 246 HD2 ARG 34 1HD ARG 34 13.616 9.577 33.405 247 HD3 ARG 34 2HD ARG 34 13.691 10.783 32.106 248 HE ARG 34 HE ARG 34 11.723 8.882 31.392 249 HH11 ARG 34 1HH1 ARG 34 12.158 11.356 33.879 250 HH12 ARG 34 2HH1 ARG 34 10.443 11.632 34.030 251 HH21 ARG 34 1HH2 ARG 34 9.548 9.292 31.651 252 HH22 ARG 34 2HH2 ARG 34 8.999 10.476 32.803 253 H VAL 35 H VAL 35 18.559 6.481 31.997 254 HA VAL 35 HA VAL 35 20.035 7.792 33.779 255 HB VAL 35 HB VAL 35 22.017 6.412 33.144 256 HG11 VAL 35 1HG1 VAL 35 20.101 5.508 34.474 257 HG12 VAL 35 2HG1 VAL 35 19.387 4.882 32.966 258 HG13 VAL 35 3HG1 VAL 35 20.953 4.267 33.534 259 HG21 VAL 35 1HG2 VAL 35 21.916 6.463 30.692 260 HG22 VAL 35 2HG2 VAL 35 21.777 4.785 31.237 261 HG23 VAL 35 3HG2 VAL 35 20.326 5.653 30.696 262 H SER 36 H SER 36 20.727 8.298 30.309 263 HA SER 36 HA SER 36 22.003 10.841 31.063 264 HB2 SER 36 1HB SER 36 23.659 9.250 29.178 265 HB3 SER 36 2HB SER 36 24.152 10.396 30.431 266 HG SER 36 HG SER 36 23.661 8.761 31.976 267 H ARG 37 H ARG 37 19.617 9.964 29.649 268 HA ARG 37 HA ARG 37 18.406 10.151 27.768 269 HB2 ARG 37 1HB ARG 37 20.311 12.400 27.210 270 HB3 ARG 37 2HB ARG 37 18.688 12.190 26.564 271 HG2 ARG 37 1HG ARG 37 17.875 12.283 28.992 272 HG3 ARG 37 2HG ARG 37 19.499 12.896 29.376 273 HD2 ARG 37 1HD ARG 37 17.477 14.115 27.453 274 HD3 ARG 37 2HD ARG 37 17.970 14.781 29.016 275 HE ARG 37 HE ARG 37 19.435 14.875 26.465 276 HH11 ARG 37 1HH1 ARG 37 19.655 15.448 29.949 277 HH12 ARG 37 2HH1 ARG 37 21.047 16.482 29.776 278 HH21 ARG 37 1HH2 ARG 37 21.205 16.199 26.335 279 HH22 ARG 37 2HH2 ARG 37 21.899 16.905 27.769 280 H ARG 38 H ARG 38 21.239 8.720 27.426 281 HA ARG 38 HA ARG 38 21.207 8.700 24.432 282 HB2 ARG 38 1HB ARG 38 23.517 7.978 24.545 283 HB3 ARG 38 2HB ARG 38 23.338 9.437 25.526 284 HG2 ARG 38 1HG ARG 38 23.364 8.095 27.588 285 HG3 ARG 38 2HG ARG 38 23.394 6.600 26.657 286 HD2 ARG 38 1HD ARG 38 25.563 7.304 25.654 287 HD3 ARG 38 2HD ARG 38 25.575 8.700 26.756 288 HE ARG 38 HE ARG 38 25.166 6.435 28.359 289 HH11 ARG 38 1HH1 ARG 38 27.740 7.555 26.216 290 HH12 ARG 38 2HH1 ARG 38 28.973 6.703 27.105 291 HH21 ARG 38 1HH2 ARG 38 26.797 5.382 29.444 292 HH22 ARG 38 2HH2 ARG 38 28.445 5.494 28.893 293 H SER 39 H SER 39 19.543 7.184 26.474 294 HA SER 39 HA SER 39 20.222 4.750 27.254 295 HB2 SER 39 1HB SER 39 17.620 5.285 25.813 296 HB3 SER 39 2HB SER 39 17.922 4.095 27.100 297 HG SER 39 HG SER 39 17.066 5.892 28.082 298 HA PRO 40 HA PRO 40 21.305 2.826 23.329 299 HB2 PRO 40 1HB PRO 40 23.095 0.987 24.215 300 HB3 PRO 40 2HB PRO 40 23.486 2.736 24.134 301 HG2 PRO 40 1HG PRO 40 22.595 1.107 26.499 302 HG3 PRO 40 2HG PRO 40 23.961 2.255 26.368 303 HD2 PRO 40 1HD PRO 40 21.530 2.934 27.417 304 HD3 PRO 40 2HD PRO 40 22.575 4.105 26.541 305 H GLN 41 H GLN 41 19.355 1.890 22.804 306 HA GLN 41 HA GLN 41 19.210 -0.999 23.264 307 HB2 GLN 41 1HB GLN 41 17.607 0.783 24.829 308 HB3 GLN 41 2HB GLN 41 16.548 0.102 23.590 309 HG2 GLN 41 1HG GLN 41 18.316 -1.589 25.366 310 HG3 GLN 41 2HG GLN 41 16.653 -1.147 25.781 311 HE21 GLN 41 1HE2 GLN 41 15.217 -3.658 23.873 312 HE22 GLN 41 2HE2 GLN 41 15.060 -2.427 25.104 313 H ARG 42 H ARG 42 17.804 -1.944 21.593 314 HA ARG 42 HA ARG 42 17.915 -0.437 19.128 315 HB2 ARG 42 1HB ARG 42 16.401 -2.975 19.846 316 HB3 ARG 42 2HB ARG 42 16.494 -2.267 18.225 317 HG2 ARG 42 1HG ARG 42 19.118 -2.399 18.770 318 HG3 ARG 42 2HG ARG 42 18.562 -3.757 19.766 319 HD2 ARG 42 1HD ARG 42 17.885 -4.978 17.940 320 HD3 ARG 42 2HD ARG 42 17.441 -3.530 17.013 321 HE ARG 42 HE ARG 42 20.286 -3.703 17.419 322 HH11 ARG 42 1HH1 ARG 42 17.659 -4.774 15.323 323 HH12 ARG 42 2HH1 ARG 42 18.722 -5.031 13.970 324 HH21 ARG 42 1HH2 ARG 42 21.577 -4.048 15.656 325 HH22 ARG 42 2HH2 ARG 42 20.906 -4.626 14.159 326 H GLY 43 H GLY 43 16.209 0.416 17.891 327 HA2 GLY 43 1HA GLY 43 13.606 0.682 19.207 328 HA3 GLY 43 2HA GLY 43 14.575 2.153 19.147 329 H ILE 44 H ILE 44 12.428 2.638 18.069 330 HA ILE 44 HA ILE 44 11.767 1.721 15.502 331 HB ILE 44 HB ILE 44 10.331 3.097 17.018 332 HG12 ILE 44 1HG1 ILE 44 9.510 4.711 15.216 333 HG13 ILE 44 2HG1 ILE 44 10.779 4.089 14.197 334 HG21 ILE 44 1HG2 ILE 44 11.916 5.526 16.092 335 HG22 ILE 44 2HG2 ILE 44 10.608 5.461 17.290 336 HG23 ILE 44 3HG2 ILE 44 12.182 4.742 17.654 337 HD11 ILE 44 1HD1 ILE 44 9.838 1.820 14.377 338 HD12 ILE 44 2HD1 ILE 44 8.536 2.465 15.401 339 HD13 ILE 44 3HD1 ILE 44 8.675 2.984 13.708 340 H VAL 45 H VAL 45 14.207 4.081 16.444 341 HA VAL 45 HA VAL 45 14.642 5.197 13.883 342 HB VAL 45 HB VAL 45 15.591 6.193 15.874 343 HG11 VAL 45 1HG1 VAL 45 17.411 3.772 16.052 344 HG12 VAL 45 2HG1 VAL 45 17.511 5.233 17.056 345 HG13 VAL 45 3HG1 VAL 45 16.088 4.184 17.174 346 HG21 VAL 45 1HG2 VAL 45 17.779 5.290 13.967 347 HG22 VAL 45 2HG2 VAL 45 16.666 6.649 13.710 348 HG23 VAL 45 3HG2 VAL 45 17.839 6.705 15.044 349 H GLU 46 H GLU 46 15.730 2.068 15.244 350 HA GLU 46 HA GLU 46 17.491 1.586 12.969 351 HB2 GLU 46 1HB GLU 46 16.373 -0.413 14.952 352 HB3 GLU 46 2HB GLU 46 17.722 -0.639 13.829 353 HG2 GLU 46 1HG GLU 46 18.799 1.384 15.061 354 HG3 GLU 46 2HG GLU 46 17.594 1.058 16.323 355 H GLU 47 H GLU 47 14.134 1.089 13.809 356 HA GLU 47 HA GLU 47 13.686 -0.801 11.640 357 HB2 GLU 47 1HB GLU 47 11.627 0.734 13.255 358 HB3 GLU 47 2HB GLU 47 11.381 -0.743 12.322 359 HG2 GLU 47 1HG GLU 47 12.971 -0.424 14.892 360 HG3 GLU 47 2HG GLU 47 11.445 -1.281 14.686 361 H CYS 48 H CYS 48 13.498 2.719 11.982 362 HA CYS 48 HA CYS 48 12.279 2.788 9.254 363 HB2 CYS 48 1HB CYS 48 11.084 3.657 11.509 364 HB3 CYS 48 2HB CYS 48 11.886 5.146 10.977 365 H CYS 49 H CYS 49 15.084 3.903 10.986 366 HA CYS 49 HA CYS 49 15.572 5.883 8.783 367 HB2 CYS 49 1HB CYS 49 15.731 6.687 11.165 368 HB3 CYS 49 2HB CYS 49 17.090 5.586 11.387 369 H PHE 50 H PHE 50 16.818 3.006 10.460 370 HA PHE 50 HA PHE 50 18.992 2.768 8.440 371 HB2 PHE 50 1HB PHE 50 18.323 1.115 10.899 372 HB3 PHE 50 2HB PHE 50 19.655 0.775 9.796 373 HD1 PHE 50 HD1 PHE 50 21.696 2.088 9.822 374 HD2 PHE 50 HD2 PHE 50 18.404 3.146 12.360 375 HE1 PHE 50 HE1 PHE 50 23.181 3.616 11.126 376 HE2 PHE 50 HE2 PHE 50 19.864 4.630 13.682 377 HZ PHE 50 HZ PHE 50 22.254 4.887 13.072 378 H ARG 51 H ARG 51 15.763 1.894 8.868 379 HA ARG 51 HA ARG 51 15.860 -0.010 6.595 380 HB2 ARG 51 1HB ARG 51 14.406 -0.554 9.223 381 HB3 ARG 51 2HB ARG 51 14.183 -1.488 7.747 382 HG2 ARG 51 1HG ARG 51 16.767 -1.263 9.272 383 HG3 ARG 51 2HG ARG 51 15.608 -2.587 9.439 384 HD2 ARG 51 1HD ARG 51 15.894 -3.140 7.058 385 HD3 ARG 51 2HD ARG 51 17.044 -1.797 6.882 386 HE ARG 51 HE ARG 51 17.863 -3.535 8.999 387 HH11 ARG 51 1HH1 ARG 51 17.811 -3.347 5.481 388 HH12 ARG 51 2HH1 ARG 51 19.190 -4.399 5.305 389 HH21 ARG 51 1HH2 ARG 51 19.621 -4.867 8.706 390 HH22 ARG 51 2HH2 ARG 51 20.195 -5.247 7.105 391 H SER 52 H SER 52 13.192 -0.410 6.294 392 HA SER 52 HA SER 52 12.002 2.310 6.317 393 HB2 SER 52 1HB SER 52 11.402 -0.189 4.680 394 HB3 SER 52 2HB SER 52 10.575 1.353 4.555 395 HG SER 52 HG SER 52 12.068 1.480 2.996 396 H CYS 53 H CYS 53 9.796 2.476 7.091 397 HA CYS 53 HA CYS 53 8.718 0.030 8.412 398 HB2 CYS 53 1HB CYS 53 8.430 1.020 10.495 399 HB3 CYS 53 2HB CYS 53 10.073 1.453 10.046 400 H ASP 54 H ASP 54 6.456 0.637 9.381 401 HA ASP 54 HA ASP 54 4.981 2.407 7.470 402 HB2 ASP 54 1HB ASP 54 4.576 0.088 6.811 403 HB3 ASP 54 2HB ASP 54 4.275 -0.370 8.497 404 H LEU 55 H LEU 55 2.862 3.108 8.463 405 HA LEU 55 HA LEU 55 3.261 4.260 11.020 406 HB2 LEU 55 1HB LEU 55 1.357 5.327 10.581 407 HB3 LEU 55 2HB LEU 55 1.429 4.479 9.025 408 HG LEU 55 HG LEU 55 -0.177 3.301 11.264 409 HD11 LEU 55 1HD1 LEU 55 -1.030 5.498 9.340 410 HD12 LEU 55 2HD1 LEU 55 -0.859 5.648 11.106 411 HD13 LEU 55 3HD1 LEU 55 -2.108 4.588 10.425 412 HD21 LEU 55 1HD2 LEU 55 0.212 1.984 9.156 413 HD22 LEU 55 2HD2 LEU 55 -0.498 3.311 8.223 414 HD23 LEU 55 3HD2 LEU 55 -1.492 2.407 9.389 415 H ALA 56 H ALA 56 1.918 1.137 10.111 416 HA ALA 56 HA ALA 56 0.638 0.675 12.645 417 HB1 ALA 56 1HB ALA 56 0.292 -1.527 11.749 418 HB2 ALA 56 2HB ALA 56 0.110 -0.325 10.430 419 HB3 ALA 56 3HB ALA 56 1.600 -1.285 10.555 420 H LEU 57 H LEU 57 3.789 -0.241 11.236 421 HA LEU 57 HA LEU 57 4.728 -1.799 13.469 422 HB2 LEU 57 1HB LEU 57 5.663 -1.739 11.135 423 HB3 LEU 57 2HB LEU 57 6.287 -0.131 11.444 424 HG LEU 57 HG LEU 57 7.166 -2.549 13.028 425 HD11 LEU 57 1HD1 LEU 57 8.389 -1.395 10.494 426 HD12 LEU 57 2HD1 LEU 57 7.544 -2.954 10.632 427 HD13 LEU 57 3HD1 LEU 57 9.080 -2.697 11.484 428 HD21 LEU 57 1HD2 LEU 57 9.254 -1.206 13.342 429 HD22 LEU 57 2HD2 LEU 57 7.834 -0.487 14.110 430 HD23 LEU 57 3HD2 LEU 57 8.439 0.174 12.576 431 H LEU 58 H LEU 58 4.959 1.592 12.480 432 HA LEU 58 HA LEU 58 6.559 2.540 14.567 433 HB2 LEU 58 1HB LEU 58 6.019 3.477 12.332 434 HB3 LEU 58 2HB LEU 58 4.434 3.917 12.934 435 HG LEU 58 HG LEU 58 6.777 4.934 14.401 436 HD11 LEU 58 1HD1 LEU 58 5.929 5.859 11.637 437 HD12 LEU 58 2HD1 LEU 58 7.526 5.251 12.129 438 HD13 LEU 58 3HD1 LEU 58 6.949 6.817 12.734 439 HD21 LEU 58 1HD2 LEU 58 4.633 5.564 15.186 440 HD22 LEU 58 2HD2 LEU 58 4.070 5.974 13.551 441 HD23 LEU 58 3HD2 LEU 58 5.288 6.981 14.353 442 H GLU 59 H GLU 59 3.042 2.218 14.351 443 HA GLU 59 HA GLU 59 2.380 3.696 16.678 444 HB2 GLU 59 1HB GLU 59 0.862 2.932 14.866 445 HB3 GLU 59 2HB GLU 59 0.947 1.287 15.502 446 HG2 GLU 59 1HG GLU 59 0.022 3.606 17.200 447 HG3 GLU 59 2HG GLU 59 -1.080 2.773 16.098 448 HE2 GLU 59 HE2 GLU 59 -0.182 2.951 19.016 449 H THR 60 H THR 60 3.665 0.420 16.377 450 HA THR 60 HA THR 60 2.784 -0.510 18.924 451 HB THR 60 HB THR 60 4.403 -2.262 18.731 452 HG1 THR 60 HG1 THR 60 5.638 -0.878 16.567 453 HG21 THR 60 1HG2 THR 60 3.853 -3.155 16.593 454 HG22 THR 60 2HG2 THR 60 3.718 -1.543 15.864 455 HG23 THR 60 3HG2 THR 60 2.483 -2.096 17.014 456 H TYR 61 H TYR 61 5.124 1.888 18.139 457 HA TYR 61 HA TYR 61 6.582 1.536 20.680 458 HB2 TYR 61 1HB TYR 61 6.872 3.312 18.278 459 HB3 TYR 61 2HB TYR 61 7.631 3.759 19.804 460 HD1 TYR 61 HD1 TYR 61 7.588 1.183 17.106 461 HD2 TYR 61 HD2 TYR 61 9.518 2.559 20.701 462 HE1 TYR 61 HE1 TYR 61 9.498 -0.366 16.680 463 HE2 TYR 61 HE2 TYR 61 11.411 0.987 20.290 464 HH TYR 61 HH TYR 61 12.285 -0.634 18.882 465 H CYS 62 H CYS 62 3.567 2.819 19.965 466 HA CYS 62 HA CYS 62 3.649 5.276 21.457 467 HB2 CYS 62 1HB CYS 62 1.386 3.272 21.126 468 HB3 CYS 62 2HB CYS 62 1.221 4.866 21.862 469 H ALA 63 H ALA 63 3.105 5.697 23.628 470 HA ALA 63 HA ALA 63 4.269 3.714 25.396 471 HB1 ALA 63 1HB ALA 63 3.008 6.411 26.002 472 HB2 ALA 63 2HB ALA 63 4.018 5.456 27.110 473 HB3 ALA 63 3HB ALA 63 4.722 6.134 25.620 474 H THR 64 H THR 64 1.093 4.427 24.366 475 HA THR 64 HA THR 64 0.005 2.342 26.050 476 HB THR 64 HB THR 64 -0.040 4.894 27.174 477 HG1 THR 64 HG1 THR 64 -0.304 3.021 28.319 478 HG21 THR 64 1HG2 THR 64 -2.880 4.301 26.319 479 HG22 THR 64 2HG2 THR 64 -1.858 5.517 25.525 480 HG23 THR 64 3HG2 THR 64 -2.274 5.694 27.237 481 HA PRO 65 HA PRO 65 -2.349 1.943 22.392 482 HB2 PRO 65 1HB PRO 65 -4.663 0.750 23.197 483 HB3 PRO 65 2HB PRO 65 -3.070 -0.062 23.333 484 HG2 PRO 65 1HG PRO 65 -4.589 1.472 25.427 485 HG3 PRO 65 2HG PRO 65 -3.881 -0.174 25.525 486 HD2 PRO 65 1HD PRO 65 -2.582 2.001 26.479 487 HD3 PRO 65 2HD PRO 65 -1.685 0.669 25.692 488 H ALA 66 H ALA 66 -4.286 2.495 21.148 489 HA ALA 66 HA ALA 66 -5.052 5.220 21.652 490 HB1 ALA 66 1HB ALA 66 -6.116 3.246 19.584 491 HB2 ALA 66 2HB ALA 66 -6.286 5.016 19.536 492 HB3 ALA 66 3HB ALA 66 -4.678 4.275 19.372 493 H LYS 67 H LYS 67 -6.928 6.117 22.302 494 HA LYS 67 HA LYS 67 -9.282 4.366 22.761 495 HB2 LYS 67 1HB LYS 67 -7.811 5.141 24.865 496 HB3 LYS 67 2HB LYS 67 -8.766 6.612 24.697 497 HG2 LYS 67 1HG LYS 67 -9.912 3.803 24.951 498 HG3 LYS 67 2HG LYS 67 -9.708 4.926 26.305 499 HD2 LYS 67 1HD LYS 67 -11.248 6.528 25.215 500 HD3 LYS 67 2HD LYS 67 -11.449 5.405 23.860 501 HE2 LYS 67 1HE LYS 67 -12.398 3.716 25.389 502 HE3 LYS 67 2HE LYS 67 -12.255 4.871 26.737 503 HZ1 LYS 67 1HZ LYS 67 -13.792 5.406 24.245 504 HZ2 LYS 67 2HZ LYS 67 -13.769 6.338 25.603 505 HZ3 LYS 67 3HZ LYS 67 -14.481 4.849 25.643 506 H SER 68 H SER 68 -9.065 5.514 20.460 507 HA SER 68 HA SER 68 -10.214 8.260 20.522 508 HB2 SER 68 1HB SER 68 -9.698 8.152 18.060 509 HB3 SER 68 2HB SER 68 -8.272 7.953 19.101 510 HG SER 68 HG SER 68 -9.678 6.008 17.620 511 H GLU 69 H GLU 69 -11.816 6.066 21.409 512 HA GLU 69 HA GLU 69 -14.038 6.135 19.458 513 HB2 GLU 69 1HB GLU 69 -12.844 3.592 20.661 514 HB3 GLU 69 2HB GLU 69 -14.410 3.678 19.846 515 HG2 GLU 69 1HG GLU 69 -13.318 4.280 17.744 516 HG3 GLU 69 2HG GLU 69 -11.737 4.271 18.539 Start of MODEL 20 1 H1 ALA 1 1H ALA 1 11.752 17.586 -5.486 2 H2 ALA 1 2H ALA 1 11.742 17.410 -3.846 3 H3 ALA 1 3H ALA 1 11.889 16.085 -4.816 4 HA ALA 1 HA ALA 1 9.523 17.831 -4.633 5 HB1 ALA 1 1HB ALA 1 8.425 16.213 -6.149 6 HB2 ALA 1 2HB ALA 1 9.893 16.843 -6.928 7 HB3 ALA 1 3HB ALA 1 9.898 15.215 -6.199 8 H TYR 2 H TYR 2 7.567 16.250 -4.071 9 HA TYR 2 HA TYR 2 8.075 15.189 -1.440 10 HB2 TYR 2 1HB TYR 2 5.887 16.111 -2.181 11 HB3 TYR 2 2HB TYR 2 5.721 14.772 -3.329 12 HD1 TYR 2 HD1 TYR 2 6.096 15.521 0.343 13 HD2 TYR 2 HD2 TYR 2 4.756 12.702 -2.628 14 HE1 TYR 2 HE1 TYR 2 5.094 14.099 2.130 15 HE2 TYR 2 HE2 TYR 2 3.757 11.292 -0.826 16 HH TYR 2 HH TYR 2 3.456 11.019 1.442 17 H ARG 3 H ARG 3 8.020 12.995 -0.769 18 HA ARG 3 HA ARG 3 8.369 10.918 -2.878 19 HB2 ARG 3 1HB ARG 3 10.132 11.442 -0.452 20 HB3 ARG 3 2HB ARG 3 10.174 9.943 -1.381 21 HG2 ARG 3 1HG ARG 3 11.292 10.886 -3.146 22 HG3 ARG 3 2HG ARG 3 10.575 12.488 -2.907 23 HD2 ARG 3 1HD ARG 3 12.580 11.277 -1.002 24 HD3 ARG 3 2HD ARG 3 13.036 12.308 -2.369 25 HE ARG 3 HE ARG 3 11.494 14.051 -1.325 26 HH11 ARG 3 1HH1 ARG 3 13.126 11.670 0.737 27 HH12 ARG 3 2HH1 ARG 3 13.066 12.714 2.132 28 HH21 ARG 3 1HH2 ARG 3 11.474 15.305 0.510 29 HH22 ARG 3 2HH2 ARG 3 12.157 14.714 2.001 30 HA PRO 4 HA PRO 4 5.424 9.158 -0.073 31 HB2 PRO 4 1HB PRO 4 5.795 6.457 -0.356 32 HB3 PRO 4 2HB PRO 4 5.057 7.475 -1.633 33 HG2 PRO 4 1HG PRO 4 7.923 6.584 -1.368 34 HG3 PRO 4 2HG PRO 4 6.826 6.442 -2.782 35 HD2 PRO 4 1HD PRO 4 8.588 8.476 -2.599 36 HD3 PRO 4 2HD PRO 4 6.927 8.753 -3.234 37 H SER 5 H SER 5 8.805 8.311 0.201 38 HA SER 5 HA SER 5 10.163 7.927 1.979 39 HB2 SER 5 1HB SER 5 8.110 9.588 3.445 40 HB3 SER 5 2HB SER 5 9.853 9.466 3.778 41 HG SER 5 HG SER 5 8.476 10.841 1.786 42 H GLU 6 H GLU 6 9.401 5.574 1.952 43 HA GLU 6 HA GLU 6 7.867 4.653 4.245 44 HB2 GLU 6 1HB GLU 6 8.559 2.443 3.554 45 HB3 GLU 6 2HB GLU 6 8.108 3.372 2.121 46 HG2 GLU 6 1HG GLU 6 10.556 3.821 1.714 47 HG3 GLU 6 2HG GLU 6 10.934 2.738 3.059 48 H THR 7 H THR 7 10.450 6.399 4.449 49 HA THR 7 HA THR 7 11.684 4.908 6.698 50 HB THR 7 HB THR 7 13.887 6.002 5.958 51 HG1 THR 7 HG1 THR 7 12.888 7.395 4.405 52 HG21 THR 7 1HG2 THR 7 13.482 3.603 5.686 53 HG22 THR 7 2HG2 THR 7 14.463 4.259 4.360 54 HG23 THR 7 3HG2 THR 7 12.743 3.902 4.094 55 H LEU 8 H LEU 8 12.250 6.248 8.352 56 HA LEU 8 HA LEU 8 11.927 9.195 7.977 57 HB2 LEU 8 1HB LEU 8 10.803 7.573 10.238 58 HB3 LEU 8 2HB LEU 8 10.814 9.322 10.163 59 HG LEU 8 HG LEU 8 9.318 7.522 8.342 60 HD11 LEU 8 1HD1 LEU 8 7.339 8.177 9.487 61 HD12 LEU 8 2HD1 LEU 8 8.324 9.111 10.623 62 HD13 LEU 8 3HD1 LEU 8 8.484 7.344 10.550 63 HD21 LEU 8 1HD2 LEU 8 8.224 9.496 7.489 64 HD22 LEU 8 2HD2 LEU 8 9.959 9.888 7.505 65 HD23 LEU 8 3HD2 LEU 8 8.894 10.492 8.803 66 H CYS 9 H CYS 9 13.187 10.374 9.246 67 HA CYS 9 HA CYS 9 15.012 8.884 11.116 68 HB2 CYS 9 1HB CYS 9 15.741 10.933 9.015 69 HB3 CYS 9 2HB CYS 9 16.850 10.384 10.287 70 H GLY 10 H GLY 10 16.474 11.170 11.982 71 HA2 GLY 10 1HA GLY 10 14.899 11.928 14.131 72 HA3 GLY 10 2HA GLY 10 16.290 12.857 13.558 73 H GLY 11 H GLY 11 13.458 13.470 14.659 74 HA2 GLY 11 1HA GLY 11 12.163 15.404 14.399 75 HA3 GLY 11 2HA GLY 11 12.915 15.696 12.823 76 H GLU 12 H GLU 12 12.375 13.824 11.168 77 HA GLU 12 HA GLU 12 9.586 14.003 10.615 78 HB2 GLU 12 1HB GLU 12 11.485 11.810 9.702 79 HB3 GLU 12 2HB GLU 12 10.054 12.380 8.852 80 HG2 GLU 12 1HG GLU 12 11.146 14.445 8.255 81 HG3 GLU 12 2HG GLU 12 12.514 14.097 9.328 82 H LEU 13 H LEU 13 11.542 11.395 12.042 83 HA LEU 13 HA LEU 13 9.421 9.480 12.186 84 HB2 LEU 13 1HB LEU 13 11.878 9.043 12.263 85 HB3 LEU 13 2HB LEU 13 11.927 9.710 13.883 86 HG LEU 13 HG LEU 13 10.756 7.850 14.789 87 HD11 LEU 13 1HD1 LEU 13 9.027 7.476 13.121 88 HD12 LEU 13 2HD1 LEU 13 9.912 5.972 13.389 89 HD13 LEU 13 3HD1 LEU 13 10.214 6.926 11.926 90 HD21 LEU 13 1HD2 LEU 13 12.745 6.951 12.661 91 HD22 LEU 13 2HD2 LEU 13 12.250 5.990 14.072 92 HD23 LEU 13 3HD2 LEU 13 13.131 7.514 14.307 93 H VAL 14 H VAL 14 10.609 12.003 14.342 94 HA VAL 14 HA VAL 14 9.075 11.235 16.657 95 HB VAL 14 HB VAL 14 10.377 13.855 15.786 96 HG11 VAL 14 1HG1 VAL 14 8.823 13.270 18.317 97 HG12 VAL 14 2HG1 VAL 14 10.028 14.570 18.208 98 HG13 VAL 14 3HG1 VAL 14 8.595 14.599 17.167 99 HG21 VAL 14 1HG2 VAL 14 11.102 11.847 17.956 100 HG22 VAL 14 2HG2 VAL 14 11.903 11.996 16.377 101 HG23 VAL 14 3HG2 VAL 14 12.006 13.325 17.549 102 H ASP 15 H ASP 15 8.555 13.582 13.981 103 HA ASP 15 HA ASP 15 6.054 14.527 14.944 104 HB2 ASP 15 1HB ASP 15 7.329 14.382 12.209 105 HB3 ASP 15 2HB ASP 15 5.708 15.040 12.431 106 H THR 16 H THR 16 6.845 11.786 12.766 107 HA THR 16 HA THR 16 4.094 11.082 12.339 108 HB THR 16 HB THR 16 6.529 9.266 12.312 109 HG1 THR 16 HG1 THR 16 6.855 11.029 10.947 110 HG21 THR 16 1HG2 THR 16 5.199 8.055 10.601 111 HG22 THR 16 2HG2 THR 16 3.820 9.123 10.939 112 HG23 THR 16 3HG2 THR 16 4.434 8.027 12.202 113 H LEU 17 H LEU 17 6.454 10.100 14.869 114 HA LEU 17 HA LEU 17 4.728 8.154 16.087 115 HB2 LEU 17 1HB LEU 17 7.113 9.742 16.981 116 HB3 LEU 17 2HB LEU 17 6.182 8.817 18.161 117 HG LEU 17 HG LEU 17 7.069 7.452 15.648 118 HD11 LEU 17 1HD1 LEU 17 8.844 7.791 18.058 119 HD12 LEU 17 2HD1 LEU 17 9.069 8.578 16.478 120 HD13 LEU 17 3HD1 LEU 17 9.166 6.817 16.601 121 HD21 LEU 17 1HD2 LEU 17 6.847 6.458 18.517 122 HD22 LEU 17 2HD2 LEU 17 7.067 5.475 17.051 123 HD23 LEU 17 3HD2 LEU 17 5.544 6.343 17.316 124 H GLN 18 H GLN 18 5.036 11.690 16.522 125 HA GLN 18 HA GLN 18 3.180 11.828 18.733 126 HB2 GLN 18 1HB GLN 18 3.941 13.863 16.605 127 HB3 GLN 18 2HB GLN 18 2.893 14.220 17.981 128 HG2 GLN 18 1HG GLN 18 4.701 13.686 19.541 129 HG3 GLN 18 2HG GLN 18 5.763 13.275 18.195 130 HE21 GLN 18 1HE2 GLN 18 6.028 16.750 17.123 131 HE22 GLN 18 2HE2 GLN 18 5.637 15.207 16.423 132 H PHE 19 H PHE 19 2.794 11.727 15.176 133 HA PHE 19 HA PHE 19 -0.006 12.370 15.241 134 HB2 PHE 19 1HB PHE 19 1.402 12.571 13.229 135 HB3 PHE 19 2HB PHE 19 1.582 10.817 13.174 136 HD1 PHE 19 HD1 PHE 19 -0.874 13.595 12.856 137 HD2 PHE 19 HD2 PHE 19 -0.116 9.405 12.246 138 HE1 PHE 19 HE1 PHE 19 -2.967 13.418 11.514 139 HE2 PHE 19 HE2 PHE 19 -2.206 9.214 10.904 140 HZ PHE 19 HZ PHE 19 -3.639 11.224 10.535 141 H VAL 20 H VAL 20 1.675 9.150 15.074 142 HA VAL 20 HA VAL 20 -0.878 7.788 14.946 143 HB VAL 20 HB VAL 20 0.306 5.712 15.076 144 HG11 VAL 20 1HG1 VAL 20 1.840 5.936 13.223 145 HG12 VAL 20 2HG1 VAL 20 0.440 7.005 12.971 146 HG13 VAL 20 3HG1 VAL 20 1.987 7.684 13.517 147 HG21 VAL 20 1HG2 VAL 20 1.804 6.168 16.891 148 HG22 VAL 20 2HG2 VAL 20 2.690 5.589 15.494 149 HG23 VAL 20 3HG2 VAL 20 2.721 7.319 15.897 150 H CYS 21 H CYS 21 1.052 8.939 17.591 151 HA CYS 21 HA CYS 21 -0.430 7.173 19.514 152 HB2 CYS 21 1HB CYS 21 2.109 8.783 19.932 153 HB3 CYS 21 2HB CYS 21 1.354 7.710 21.111 154 H GLY 22 H GLY 22 -0.243 10.456 18.488 155 HA2 GLY 22 1HA GLY 22 -1.398 12.294 19.321 156 HA3 GLY 22 2HA GLY 22 -1.919 11.344 20.730 157 H ASP 23 H ASP 23 -1.178 13.761 21.387 158 HA ASP 23 HA ASP 23 1.612 14.257 21.813 159 HB2 ASP 23 1HB ASP 23 -0.352 15.898 21.811 160 HB3 ASP 23 2HB ASP 23 -0.713 15.326 23.449 161 H ARG 24 H ARG 24 -0.145 11.825 23.100 162 HA ARG 24 HA ARG 24 0.415 11.976 25.910 163 HB2 ARG 24 1HB ARG 24 -0.161 9.590 24.168 164 HB3 ARG 24 2HB ARG 24 -0.251 9.629 25.936 165 HG2 ARG 24 1HG ARG 24 -2.057 11.318 25.826 166 HG3 ARG 24 2HG ARG 24 -1.975 11.292 24.049 167 HD2 ARG 24 1HD ARG 24 -2.635 8.950 25.835 168 HD3 ARG 24 2HD ARG 24 -3.791 9.881 24.849 169 HE ARG 24 HE ARG 24 -1.847 9.093 23.045 170 HH11 ARG 24 1HH1 ARG 24 -3.899 7.333 25.299 171 HH12 ARG 24 2HH1 ARG 24 -3.862 5.862 24.363 172 HH21 ARG 24 1HH2 ARG 24 -1.893 7.246 21.847 173 HH22 ARG 24 2HH2 ARG 24 -2.749 5.826 22.404 174 H GLY 25 H GLY 25 2.432 11.304 23.250 175 HA2 GLY 25 1HA GLY 25 4.762 11.072 23.475 176 HA3 GLY 25 2HA GLY 25 4.557 10.466 25.121 177 H PHE 26 H PHE 26 6.342 9.231 23.637 178 HA PHE 26 HA PHE 26 5.185 6.582 23.064 179 HB2 PHE 26 1HB PHE 26 6.393 6.627 20.819 180 HB3 PHE 26 2HB PHE 26 4.910 7.579 20.927 181 HD1 PHE 26 HD1 PHE 26 4.898 9.961 20.729 182 HD2 PHE 26 HD2 PHE 26 8.621 7.807 20.836 183 HE1 PHE 26 HE1 PHE 26 6.111 12.017 20.072 184 HE2 PHE 26 HE2 PHE 26 9.834 9.874 20.162 185 HZ PHE 26 HZ PHE 26 8.576 11.980 19.801 186 H TYR 27 H TYR 27 6.915 5.052 22.468 187 HA TYR 27 HA TYR 27 9.363 5.481 24.116 188 HB2 TYR 27 1HB TYR 27 8.154 3.092 22.635 189 HB3 TYR 27 2HB TYR 27 9.720 3.048 23.426 190 HD1 TYR 27 HD1 TYR 27 9.009 1.097 24.687 191 HD2 TYR 27 HD2 TYR 27 6.877 4.801 25.171 192 HE1 TYR 27 HE1 TYR 27 7.987 0.232 26.776 193 HE2 TYR 27 HE2 TYR 27 5.855 3.923 27.258 194 HH TYR 27 HH TYR 27 6.453 0.621 28.439 195 H PHE 28 H PHE 28 11.456 4.979 22.979 196 HA PHE 28 HA PHE 28 11.243 5.231 19.994 197 HB2 PHE 28 1HB PHE 28 12.479 7.036 21.728 198 HB3 PHE 28 2HB PHE 28 13.811 6.030 21.175 199 HD1 PHE 28 HD1 PHE 28 14.848 6.529 19.120 200 HD2 PHE 28 HD2 PHE 28 10.865 7.965 19.875 201 HE1 PHE 28 HE1 PHE 28 14.930 7.865 17.017 202 HE2 PHE 28 HE2 PHE 28 10.945 9.306 17.778 203 HZ PHE 28 HZ PHE 28 12.972 9.241 16.333 204 H ASN 29 H ASN 29 12.768 3.845 22.835 205 HA ASN 29 HA ASN 29 13.971 1.725 21.158 206 HB2 ASN 29 1HB ASN 29 16.072 2.021 22.341 207 HB3 ASN 29 2HB ASN 29 15.639 3.458 21.432 208 HD21 ASN 29 1HD2 ASN 29 16.860 4.713 24.606 209 HD22 ASN 29 2HD2 ASN 29 17.468 3.936 23.152 210 H ARG 30 H ARG 30 11.690 1.808 22.944 211 HA ARG 30 HA ARG 30 10.745 0.508 24.582 212 HB2 ARG 30 1HB ARG 30 12.845 -1.503 23.806 213 HB3 ARG 30 2HB ARG 30 11.195 -1.789 24.382 214 HG2 ARG 30 1HG ARG 30 10.510 -0.382 22.335 215 HG3 ARG 30 2HG ARG 30 12.146 -0.735 21.751 216 HD2 ARG 30 1HD ARG 30 10.133 -2.845 22.603 217 HD3 ARG 30 2HD ARG 30 10.333 -2.286 20.930 218 HE ARG 30 HE ARG 30 12.870 -3.085 21.958 219 HH11 ARG 30 1HH1 ARG 30 9.835 -4.528 20.864 220 HH12 ARG 30 2HH1 ARG 30 10.607 -6.013 20.380 221 HH21 ARG 30 1HH2 ARG 30 13.784 -5.008 21.314 222 HH22 ARG 30 2HH2 ARG 30 12.804 -6.277 20.632 223 HA PRO 31 HA PRO 31 14.363 0.876 27.333 224 HB2 PRO 31 1HB PRO 31 14.089 3.222 28.675 225 HB3 PRO 31 2HB PRO 31 14.629 3.139 26.986 226 HG2 PRO 31 1HG PRO 31 11.883 3.736 27.983 227 HG3 PRO 31 2HG PRO 31 12.873 4.651 26.805 228 HD2 PRO 31 1HD PRO 31 10.984 2.790 26.073 229 HD3 PRO 31 2HD PRO 31 12.453 3.132 25.106 230 H ALA 32 H ALA 32 11.121 1.500 27.942 231 HA ALA 32 HA ALA 32 9.594 1.140 29.592 232 HB1 ALA 32 1HB ALA 32 9.824 -0.853 31.005 233 HB2 ALA 32 2HB ALA 32 10.374 -1.224 29.355 234 HB3 ALA 32 3HB ALA 32 11.564 -0.935 30.647 235 H SER 33 H SER 33 11.827 3.030 29.965 236 HA SER 33 HA SER 33 11.164 3.832 32.696 237 HB2 SER 33 1HB SER 33 13.564 3.980 33.383 238 HB3 SER 33 2HB SER 33 13.027 2.304 33.150 239 HG SER 33 HG SER 33 14.090 2.215 31.222 240 H ARG 34 H ARG 34 11.555 6.063 32.975 241 HA ARG 34 HA ARG 34 12.664 7.497 30.597 242 HB2 ARG 34 1HB ARG 34 10.859 9.123 30.733 243 HB3 ARG 34 2HB ARG 34 10.188 7.504 30.522 244 HG2 ARG 34 1HG ARG 34 9.621 7.397 32.923 245 HG3 ARG 34 2HG ARG 34 10.344 8.997 33.177 246 HD2 ARG 34 1HD ARG 34 8.700 9.955 31.559 247 HD3 ARG 34 2HD ARG 34 7.930 8.358 31.441 248 HE ARG 34 HE ARG 34 8.087 9.077 34.182 249 HH11 ARG 34 1HH1 ARG 34 6.338 10.125 31.295 250 HH12 ARG 34 2HH1 ARG 34 4.991 10.727 32.221 251 HH21 ARG 34 1HH2 ARG 34 6.325 9.861 35.290 252 HH22 ARG 34 2HH2 ARG 34 4.986 10.575 34.436 253 H VAL 35 H VAL 35 13.527 6.794 33.448 254 HA VAL 35 HA VAL 35 13.233 9.157 34.987 255 HB VAL 35 HB VAL 35 14.755 8.070 36.623 256 HG11 VAL 35 1HG1 VAL 35 12.323 7.514 36.471 257 HG12 VAL 35 2HG1 VAL 35 12.730 6.131 35.426 258 HG13 VAL 35 3HG1 VAL 35 13.307 6.182 37.105 259 HG21 VAL 35 1HG2 VAL 35 15.549 5.721 36.156 260 HG22 VAL 35 2HG2 VAL 35 15.113 5.934 34.448 261 HG23 VAL 35 3HG2 VAL 35 16.384 6.941 35.187 262 H SER 36 H SER 36 16.157 8.081 33.181 263 HA SER 36 HA SER 36 17.192 10.832 33.492 264 HB2 SER 36 1HB SER 36 18.932 8.518 34.372 265 HB3 SER 36 2HB SER 36 19.161 10.253 34.673 266 HG SER 36 HG SER 36 17.139 10.080 35.925 267 H ARG 37 H ARG 37 16.464 9.105 31.213 268 HA ARG 37 HA ARG 37 17.236 8.197 29.268 269 HB2 ARG 37 1HB ARG 37 18.388 9.707 27.869 270 HB3 ARG 37 2HB ARG 37 17.318 10.632 28.912 271 HG2 ARG 37 1HG ARG 37 19.222 11.397 30.261 272 HG3 ARG 37 2HG ARG 37 20.324 10.350 29.351 273 HD2 ARG 37 1HD ARG 37 20.596 12.563 28.505 274 HD3 ARG 37 2HD ARG 37 19.722 11.632 27.271 275 HE ARG 37 HE ARG 37 17.814 12.921 28.925 276 HH11 ARG 37 1HH1 ARG 37 20.280 13.853 26.575 277 HH12 ARG 37 2HH1 ARG 37 19.432 15.306 26.123 278 HH21 ARG 37 1HH2 ARG 37 16.793 14.800 28.299 279 HH22 ARG 37 2HH2 ARG 37 17.497 15.827 27.082 280 H ARG 38 H ARG 38 18.852 7.210 31.623 281 HA ARG 38 HA ARG 38 21.540 6.826 30.584 282 HB2 ARG 38 1HB ARG 38 21.917 5.572 32.631 283 HB3 ARG 38 2HB ARG 38 21.089 7.087 32.984 284 HG2 ARG 38 1HG ARG 38 19.434 5.993 34.040 285 HG3 ARG 38 2HG ARG 38 19.100 5.025 32.593 286 HD2 ARG 38 1HD ARG 38 19.608 3.492 34.360 287 HD3 ARG 38 2HD ARG 38 20.988 3.496 33.248 288 HE ARG 38 HE ARG 38 21.429 5.395 35.341 289 HH11 ARG 38 1HH1 ARG 38 21.410 1.903 34.824 290 HH12 ARG 38 2HH1 ARG 38 22.515 1.609 36.140 291 HH21 ARG 38 1HH2 ARG 38 22.842 4.939 37.005 292 HH22 ARG 38 2HH2 ARG 38 23.309 3.297 37.346 293 H SER 39 H SER 39 19.211 5.655 29.040 294 HA SER 39 HA SER 39 20.377 2.938 28.780 295 HB2 SER 39 1HB SER 39 18.294 2.854 30.209 296 HB3 SER 39 2HB SER 39 17.378 3.423 28.797 297 HG SER 39 HG SER 39 17.506 1.078 29.074 298 HA PRO 40 HA PRO 40 19.774 5.114 24.745 299 HB2 PRO 40 1HB PRO 40 22.292 4.953 23.768 300 HB3 PRO 40 2HB PRO 40 21.864 6.134 25.044 301 HG2 PRO 40 1HG PRO 40 23.121 3.416 25.336 302 HG3 PRO 40 2HG PRO 40 23.670 4.988 25.998 303 HD2 PRO 40 1HD PRO 40 22.194 3.203 27.451 304 HD3 PRO 40 2HD PRO 40 22.054 4.982 27.672 305 H GLN 41 H GLN 41 18.655 2.753 25.041 306 HA GLN 41 HA GLN 41 19.904 0.574 23.588 307 HB2 GLN 41 1HB GLN 41 17.030 1.123 24.399 308 HB3 GLN 41 2HB GLN 41 17.599 -0.404 23.702 309 HG2 GLN 41 1HG GLN 41 19.150 -0.684 25.600 310 HG3 GLN 41 2HG GLN 41 18.544 0.814 26.310 311 HE21 GLN 41 1HE2 GLN 41 15.234 -1.310 26.316 312 HE22 GLN 41 2HE2 GLN 41 15.804 -0.290 25.014 313 H ARG 42 H ARG 42 18.498 -0.441 21.767 314 HA ARG 42 HA ARG 42 18.291 1.596 19.608 315 HB2 ARG 42 1HB ARG 42 18.696 -1.412 19.645 316 HB3 ARG 42 2HB ARG 42 18.479 -0.467 18.168 317 HG2 ARG 42 1HG ARG 42 20.498 0.759 18.537 318 HG3 ARG 42 2HG ARG 42 20.671 0.134 20.182 319 HD2 ARG 42 1HD ARG 42 21.181 -2.075 19.384 320 HD3 ARG 42 2HD ARG 42 20.733 -1.633 17.728 321 HE ARG 42 HE ARG 42 22.722 -0.500 17.429 322 HH11 ARG 42 1HH1 ARG 42 22.522 -1.528 20.808 323 HH12 ARG 42 2HH1 ARG 42 24.191 -1.140 21.127 324 HH21 ARG 42 1HH2 ARG 42 24.844 -0.047 17.913 325 HH22 ARG 42 2HH2 ARG 42 25.484 -0.330 19.509 326 H GLY 43 H GLY 43 16.531 1.267 17.970 327 HA2 GLY 43 1HA GLY 43 14.249 -0.330 18.615 328 HA3 GLY 43 2HA GLY 43 14.047 1.281 19.277 329 H ILE 44 H ILE 44 12.635 2.385 18.115 330 HA ILE 44 HA ILE 44 11.858 1.639 15.509 331 HB ILE 44 HB ILE 44 10.436 2.936 17.121 332 HG12 ILE 44 1HG1 ILE 44 9.553 4.607 15.418 333 HG13 ILE 44 2HG1 ILE 44 10.839 4.114 14.352 334 HG21 ILE 44 1HG2 ILE 44 11.967 5.418 16.241 335 HG22 ILE 44 2HG2 ILE 44 10.685 5.295 17.465 336 HG23 ILE 44 3HG2 ILE 44 12.279 4.590 17.772 337 HD11 ILE 44 1HD1 ILE 44 8.647 2.311 15.417 338 HD12 ILE 44 2HD1 ILE 44 8.748 2.989 13.782 339 HD13 ILE 44 3HD1 ILE 44 9.956 1.806 14.323 340 H VAL 45 H VAL 45 14.297 4.019 16.485 341 HA VAL 45 HA VAL 45 14.570 5.222 13.934 342 HB VAL 45 HB VAL 45 15.565 6.298 15.813 343 HG11 VAL 45 1HG1 VAL 45 17.313 3.839 16.165 344 HG12 VAL 45 2HG1 VAL 45 17.508 5.370 17.044 345 HG13 VAL 45 3HG1 VAL 45 16.033 4.417 17.268 346 HG21 VAL 45 1HG2 VAL 45 17.828 5.285 14.053 347 HG22 VAL 45 2HG2 VAL 45 16.691 6.578 13.610 348 HG23 VAL 45 3HG2 VAL 45 17.794 6.797 14.989 349 H GLU 46 H GLU 46 15.871 2.143 15.195 350 HA GLU 46 HA GLU 46 17.501 1.793 12.804 351 HB2 GLU 46 1HB GLU 46 16.687 -0.233 14.890 352 HB3 GLU 46 2HB GLU 46 17.932 -0.424 13.640 353 HG2 GLU 46 1HG GLU 46 18.970 1.723 14.694 354 HG3 GLU 46 2HG GLU 46 17.967 1.321 16.096 355 H GLU 47 H GLU 47 14.239 1.048 13.852 356 HA GLU 47 HA GLU 47 13.736 -0.837 11.698 357 HB2 GLU 47 1HB GLU 47 11.881 0.732 13.525 358 HB3 GLU 47 2HB GLU 47 11.318 -0.410 12.306 359 HG2 GLU 47 1HG GLU 47 13.249 -1.213 14.498 360 HG3 GLU 47 2HG GLU 47 11.493 -1.251 14.703 361 H CYS 48 H CYS 48 13.461 2.704 12.031 362 HA CYS 48 HA CYS 48 12.253 2.707 9.301 363 HB2 CYS 48 1HB CYS 48 11.109 3.647 11.555 364 HB3 CYS 48 2HB CYS 48 11.895 5.118 10.949 365 H CYS 49 H CYS 49 15.072 3.948 10.971 366 HA CYS 49 HA CYS 49 15.482 5.850 8.694 367 HB2 CYS 49 1HB CYS 49 15.725 6.688 11.055 368 HB3 CYS 49 2HB CYS 49 17.104 5.607 11.236 369 H PHE 50 H PHE 50 16.926 3.094 10.453 370 HA PHE 50 HA PHE 50 19.010 2.824 8.367 371 HB2 PHE 50 1HB PHE 50 18.433 1.222 10.880 372 HB3 PHE 50 2HB PHE 50 19.763 0.900 9.769 373 HD1 PHE 50 HD1 PHE 50 21.776 2.216 9.783 374 HD2 PHE 50 HD2 PHE 50 18.434 3.369 12.221 375 HE1 PHE 50 HE1 PHE 50 23.219 3.838 11.013 376 HE2 PHE 50 HE2 PHE 50 19.862 4.952 13.468 377 HZ PHE 50 HZ PHE 50 22.253 5.205 12.871 378 H ARG 51 H ARG 51 15.835 1.747 8.963 379 HA ARG 51 HA ARG 51 15.992 -0.131 6.672 380 HB2 ARG 51 1HB ARG 51 14.659 -0.789 9.337 381 HB3 ARG 51 2HB ARG 51 14.418 -1.694 7.841 382 HG2 ARG 51 1HG ARG 51 17.077 -1.404 9.281 383 HG3 ARG 51 2HG ARG 51 15.980 -2.786 9.439 384 HD2 ARG 51 1HD ARG 51 16.170 -3.197 6.999 385 HD3 ARG 51 2HD ARG 51 17.311 -1.841 6.872 386 HE ARG 51 HE ARG 51 18.212 -3.692 8.853 387 HH11 ARG 51 1HH1 ARG 51 17.997 -3.351 5.349 388 HH12 ARG 51 2HH1 ARG 51 19.343 -4.419 5.063 389 HH21 ARG 51 1HH2 ARG 51 19.929 -5.038 8.416 390 HH22 ARG 51 2HH2 ARG 51 20.422 -5.352 6.775 391 H SER 52 H SER 52 13.419 -0.738 6.381 392 HA SER 52 HA SER 52 12.071 1.895 6.241 393 HB2 SER 52 1HB SER 52 10.651 0.668 4.621 394 HB3 SER 52 2HB SER 52 12.372 0.604 4.185 395 HG SER 52 HG SER 52 11.082 -1.419 5.696 396 H CYS 53 H CYS 53 9.960 2.193 7.081 397 HA CYS 53 HA CYS 53 8.744 -0.130 8.476 398 HB2 CYS 53 1HB CYS 53 8.550 0.854 10.536 399 HB3 CYS 53 2HB CYS 53 10.175 1.335 10.070 400 H ASP 54 H ASP 54 6.508 0.695 9.423 401 HA ASP 54 HA ASP 54 5.173 2.501 7.454 402 HB2 ASP 54 1HB ASP 54 4.680 0.211 6.749 403 HB3 ASP 54 2HB ASP 54 4.315 -0.256 8.420 404 H LEU 55 H LEU 55 3.045 3.269 8.425 405 HA LEU 55 HA LEU 55 3.460 4.367 11.003 406 HB2 LEU 55 1HB LEU 55 1.618 5.526 10.553 407 HB3 LEU 55 2HB LEU 55 1.691 4.717 8.983 408 HG LEU 55 HG LEU 55 -0.037 3.582 11.153 409 HD11 LEU 55 1HD1 LEU 55 -0.721 5.835 9.226 410 HD12 LEU 55 2HD1 LEU 55 -0.592 5.966 10.996 411 HD13 LEU 55 3HD1 LEU 55 -1.873 4.974 10.273 412 HD21 LEU 55 1HD2 LEU 55 0.340 2.261 9.055 413 HD22 LEU 55 2HD2 LEU 55 -0.249 3.634 8.103 414 HD23 LEU 55 3HD2 LEU 55 -1.342 2.787 9.224 415 H ALA 56 H ALA 56 1.977 1.327 10.038 416 HA ALA 56 HA ALA 56 0.638 0.890 12.543 417 HB1 ALA 56 1HB ALA 56 0.231 -1.294 11.616 418 HB2 ALA 56 2HB ALA 56 0.098 -0.065 10.315 419 HB3 ALA 56 3HB ALA 56 1.556 -1.077 10.434 420 H LEU 57 H LEU 57 3.772 -0.137 11.182 421 HA LEU 57 HA LEU 57 4.598 -1.746 13.430 422 HB2 LEU 57 1HB LEU 57 5.584 -1.771 11.130 423 HB3 LEU 57 2HB LEU 57 6.258 -0.175 11.408 424 HG LEU 57 HG LEU 57 7.025 -2.557 13.105 425 HD11 LEU 57 1HD1 LEU 57 8.322 -1.592 10.522 426 HD12 LEU 57 2HD1 LEU 57 7.392 -3.095 10.721 427 HD13 LEU 57 3HD1 LEU 57 8.931 -2.885 11.577 428 HD21 LEU 57 1HD2 LEU 57 9.205 -1.225 13.263 429 HD22 LEU 57 2HD2 LEU 57 7.819 -0.537 14.118 430 HD23 LEU 57 3HD2 LEU 57 8.321 0.141 12.557 431 H LEU 58 H LEU 58 4.956 1.642 12.463 432 HA LEU 58 HA LEU 58 6.610 2.507 14.550 433 HB2 LEU 58 1HB LEU 58 6.107 3.478 12.330 434 HB3 LEU 58 2HB LEU 58 4.530 3.943 12.913 435 HG LEU 58 HG LEU 58 6.889 4.947 14.357 436 HD11 LEU 58 1HD1 LEU 58 7.589 5.271 12.072 437 HD12 LEU 58 2HD1 LEU 58 6.999 6.836 12.677 438 HD13 LEU 58 3HD1 LEU 58 5.973 5.853 11.609 439 HD21 LEU 58 1HD2 LEU 58 4.164 5.982 13.575 440 HD22 LEU 58 2HD2 LEU 58 5.407 7.002 14.318 441 HD23 LEU 58 3HD2 LEU 58 4.786 5.600 15.196 442 H GLU 59 H GLU 59 3.078 2.325 14.332 443 HA GLU 59 HA GLU 59 2.468 3.748 16.712 444 HB2 GLU 59 1HB GLU 59 0.895 3.169 14.896 445 HB3 GLU 59 2HB GLU 59 0.959 1.471 15.385 446 HG2 GLU 59 1HG GLU 59 -0.080 1.982 17.501 447 HG3 GLU 59 2HG GLU 59 0.025 3.711 17.180 448 HE2 GLU 59 HE2 GLU 59 -1.229 4.534 15.733 449 H THR 60 H THR 60 3.718 0.483 16.354 450 HA THR 60 HA THR 60 2.707 -0.538 18.823 451 HB THR 60 HB THR 60 4.383 -2.267 18.662 452 HG1 THR 60 HG1 THR 60 5.589 -0.826 16.520 453 HG21 THR 60 1HG2 THR 60 2.472 -2.188 16.982 454 HG22 THR 60 2HG2 THR 60 3.900 -3.116 16.461 455 HG23 THR 60 3HG2 THR 60 3.616 -1.482 15.825 456 H TYR 61 H TYR 61 5.079 1.865 18.209 457 HA TYR 61 HA TYR 61 6.451 1.459 20.780 458 HB2 TYR 61 1HB TYR 61 6.771 3.347 18.451 459 HB3 TYR 61 2HB TYR 61 7.569 3.669 19.985 460 HD1 TYR 61 HD1 TYR 61 7.351 1.163 17.201 461 HD2 TYR 61 HD2 TYR 61 9.530 2.505 20.664 462 HE1 TYR 61 HE1 TYR 61 9.238 -0.376 16.620 463 HE2 TYR 61 HE2 TYR 61 11.397 0.948 20.086 464 HH TYR 61 HH TYR 61 11.281 -1.195 17.244 465 H CYS 62 H CYS 62 3.410 2.703 20.210 466 HA CYS 62 HA CYS 62 3.577 5.260 21.485 467 HB2 CYS 62 1HB CYS 62 1.307 3.244 21.456 468 HB3 CYS 62 2HB CYS 62 1.171 4.904 22.052 469 H ALA 63 H ALA 63 3.253 5.972 23.600 470 HA ALA 63 HA ALA 63 4.588 4.317 25.511 471 HB1 ALA 63 1HB ALA 63 3.102 6.956 25.838 472 HB2 ALA 63 2HB ALA 63 4.140 6.212 27.081 473 HB3 ALA 63 3HB ALA 63 4.844 6.739 25.537 474 H THR 64 H THR 64 1.266 4.724 24.771 475 HA THR 64 HA THR 64 0.464 2.772 26.759 476 HB THR 64 HB THR 64 0.528 5.083 27.954 477 HG1 THR 64 HG1 THR 64 -0.618 3.472 28.898 478 HG21 THR 64 1HG2 THR 64 -2.032 5.484 26.405 479 HG22 THR 64 2HG2 THR 64 -0.508 6.334 26.044 480 HG23 THR 64 3HG2 THR 64 -1.314 6.573 27.610 481 HA PRO 65 HA PRO 65 -2.144 2.100 23.265 482 HB2 PRO 65 1HB PRO 65 -4.316 0.799 24.278 483 HB3 PRO 65 2HB PRO 65 -2.679 0.064 24.282 484 HG2 PRO 65 1HG PRO 65 -4.083 1.554 26.486 485 HG3 PRO 65 2HG PRO 65 -3.302 -0.059 26.540 486 HD2 PRO 65 1HD PRO 65 -2.009 2.168 27.355 487 HD3 PRO 65 2HD PRO 65 -1.135 0.868 26.491 488 H ALA 66 H ALA 66 -4.188 2.615 22.194 489 HA ALA 66 HA ALA 66 -5.083 5.276 22.737 490 HB1 ALA 66 1HB ALA 66 -5.050 4.234 20.478 491 HB2 ALA 66 2HB ALA 66 -6.337 3.115 20.989 492 HB3 ALA 66 3HB ALA 66 -6.658 4.864 20.894 493 H LYS 67 H LYS 67 -7.249 5.996 23.232 494 HA LYS 67 HA LYS 67 -8.590 4.199 25.246 495 HB2 LYS 67 1HB LYS 67 -9.633 6.390 26.015 496 HB3 LYS 67 2HB LYS 67 -7.896 6.235 26.283 497 HG2 LYS 67 1HG LYS 67 -7.344 7.830 24.710 498 HG3 LYS 67 2HG LYS 67 -8.803 7.545 23.754 499 HD2 LYS 67 1HD LYS 67 -10.182 8.677 25.390 500 HD3 LYS 67 2HD LYS 67 -8.768 8.944 26.441 501 HE2 LYS 67 1HE LYS 67 -7.777 10.461 24.916 502 HE3 LYS 67 2HE LYS 67 -8.750 9.872 23.561 503 HZ1 LYS 67 1HZ LYS 67 -9.535 12.002 24.262 504 HZ2 LYS 67 2HZ LYS 67 -9.791 11.479 25.816 505 HZ3 LYS 67 3HZ LYS 67 -10.693 10.883 24.558 506 H SER 68 H SER 68 -8.921 3.753 22.511 507 HA SER 68 HA SER 68 -10.463 3.460 20.848 508 HB2 SER 68 1HB SER 68 -12.022 2.835 22.748 509 HB3 SER 68 2HB SER 68 -12.615 4.509 22.712 510 HG SER 68 HG SER 68 -13.080 4.151 20.461 511 H GLU 69 H GLU 69 -9.113 6.019 21.683 512 HA GLU 69 HA GLU 69 -9.986 7.731 19.518 513 HB2 GLU 69 1HB GLU 69 -11.533 8.394 21.460 514 HB3 GLU 69 2HB GLU 69 -10.089 8.697 22.413 515 HG2 GLU 69 1HG GLU 69 -9.443 10.368 20.525 516 HG3 GLU 69 2HG GLU 69 -11.147 10.255 20.055
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