NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651868 | 6z0g | 50263 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 1 3H ARG 1 12.240 3.905 -13.026 2 HA ARG 1 HA ARG 1 12.783 1.658 -12.924 3 HB2 ARG 1 1HB ARG 1 12.685 2.618 -10.048 4 HB3 ARG 1 2HB ARG 1 13.763 1.387 -10.703 5 HG2 ARG 1 1HG ARG 1 13.707 4.270 -11.638 6 HG3 ARG 1 2HG ARG 1 14.853 3.632 -10.459 7 HD2 ARG 1 1HD ARG 1 15.594 1.953 -12.160 8 HD3 ARG 1 2HD ARG 1 14.535 2.729 -13.335 9 HE ARG 1 HE ARG 1 16.098 4.410 -13.553 10 HH11 ARG 1 1HH1 ARG 1 16.774 2.698 -10.564 11 HH12 ARG 1 2HH1 ARG 1 18.243 3.572 -10.280 12 HH21 ARG 1 1HH2 ARG 1 17.996 5.502 -13.134 13 HH22 ARG 1 2HH2 ARG 1 18.925 5.139 -11.718 14 H SER 2 H SER 2 10.900 0.482 -13.534 15 HA SER 2 HA SER 2 8.739 -0.122 -11.850 16 HB2 SER 2 1HB SER 2 8.158 -1.799 -13.435 17 HB3 SER 2 2HB SER 2 8.929 -0.513 -14.359 18 HG SER 2 HG SER 2 9.974 -3.009 -13.530 19 H LEU 3 H LEU 3 8.248 -1.961 -10.619 20 HA LEU 3 HA LEU 3 10.264 -2.920 -8.926 21 HB2 LEU 3 1HB LEU 3 7.830 -2.889 -8.397 22 HB3 LEU 3 2HB LEU 3 7.605 -4.238 -9.510 23 HG LEU 3 HG LEU 3 9.330 -5.512 -8.158 24 HD11 LEU 3 1HD1 LEU 3 10.481 -3.780 -7.002 25 HD12 LEU 3 2HD1 LEU 3 9.533 -4.603 -5.762 26 HD13 LEU 3 3HD1 LEU 3 8.978 -3.064 -6.420 27 HD21 LEU 3 1HD2 LEU 3 6.866 -4.596 -6.641 28 HD22 LEU 3 2HD2 LEU 3 7.737 -6.112 -6.405 29 HD23 LEU 3 3HD2 LEU 3 6.862 -5.822 -7.909 30 H LEU 4 H LEU 4 8.996 -4.225 -11.946 31 HA LEU 4 HA LEU 4 9.881 -6.872 -11.734 32 HB2 LEU 4 1HB LEU 4 8.373 -5.920 -13.503 33 HB3 LEU 4 2HB LEU 4 9.797 -5.213 -14.263 34 HG LEU 4 HG LEU 4 9.856 -8.139 -13.604 35 HD11 LEU 4 1HD1 LEU 4 8.424 -6.948 -15.998 36 HD12 LEU 4 2HD1 LEU 4 7.669 -7.852 -14.686 37 HD13 LEU 4 3HD1 LEU 4 8.792 -8.659 -15.780 38 HD21 LEU 4 1HD2 LEU 4 11.000 -7.967 -15.982 39 HD22 LEU 4 2HD2 LEU 4 11.874 -7.436 -14.549 40 HD23 LEU 4 3HD2 LEU 4 11.089 -6.250 -15.590 41 H GLU 5 H GLU 5 11.571 -3.950 -12.788 42 HA GLU 5 HA GLU 5 13.917 -5.164 -13.762 43 HB2 GLU 5 1HB GLU 5 13.519 -2.465 -12.452 44 HB3 GLU 5 2HB GLU 5 14.984 -2.957 -13.301 45 HG2 GLU 5 1HG GLU 5 12.212 -2.868 -14.525 46 HG3 GLU 5 2HG GLU 5 13.463 -1.650 -14.763 47 H GLY 6 H GLY 6 12.970 -4.209 -10.487 48 HA2 GLY 6 1HA GLY 6 13.733 -4.993 -8.452 49 HA3 GLY 6 2HA GLY 6 14.770 -6.116 -9.323 50 H GLU 7 H GLU 7 14.893 -2.647 -9.897 51 HA GLU 7 HA GLU 7 17.382 -2.464 -8.315 52 HB2 GLU 7 1HB GLU 7 17.905 -2.841 -10.733 53 HB3 GLU 7 2HB GLU 7 17.044 -1.348 -11.107 54 HG2 GLU 7 1HG GLU 7 18.569 -0.120 -9.570 55 HG3 GLU 7 2HG GLU 7 19.463 -1.610 -9.302 56 H ILE 8 H ILE 8 17.472 -0.701 -7.069 57 HA ILE 8 HA ILE 8 15.563 1.501 -7.603 58 HB ILE 8 HB ILE 8 15.713 1.984 -5.182 59 HG12 ILE 8 1HG1 ILE 8 17.254 -0.623 -5.018 60 HG13 ILE 8 2HG1 ILE 8 18.011 0.968 -4.914 61 HG21 ILE 8 1HG2 ILE 8 13.995 0.414 -6.183 62 HG22 ILE 8 2HG2 ILE 8 14.326 0.149 -4.471 63 HG23 ILE 8 3HG2 ILE 8 15.029 -0.924 -5.682 64 HD11 ILE 8 1HD1 ILE 8 17.520 -0.005 -2.669 65 HD12 ILE 8 2HD1 ILE 8 15.805 -0.008 -3.076 66 HD13 ILE 8 3HD1 ILE 8 16.677 1.519 -2.947 67 HA PRO 9 HA PRO 9 18.906 4.295 -8.249 68 HB2 PRO 9 1HB PRO 9 17.746 6.217 -6.302 69 HB3 PRO 9 2HB PRO 9 18.113 6.432 -8.024 70 HG2 PRO 9 1HG PRO 9 15.612 6.193 -7.139 71 HG3 PRO 9 2HG PRO 9 16.123 5.532 -8.703 72 HD2 PRO 9 1HD PRO 9 15.591 4.088 -6.137 73 HD3 PRO 9 2HD PRO 9 15.294 3.568 -7.811 74 H PHE 10 H PHE 10 20.620 3.180 -7.271 75 HA PHE 10 HA PHE 10 22.312 2.813 -5.764 76 HB2 PHE 10 1HB PHE 10 21.464 5.457 -4.583 77 HB3 PHE 10 2HB PHE 10 23.039 4.696 -4.459 78 HD1 PHE 10 HD1 PHE 10 24.560 4.634 -6.414 79 HD2 PHE 10 HD2 PHE 10 20.783 6.676 -6.546 80 HE1 PHE 10 HE1 PHE 10 25.283 5.840 -8.457 81 HE2 PHE 10 HE2 PHE 10 21.505 7.881 -8.589 82 HZ PHE 10 HZ PHE 10 23.755 7.464 -9.545 83 HA PRO 11 HA PRO 11 19.195 1.261 -2.707 84 HB2 PRO 11 1HB PRO 11 21.111 -1.010 -2.565 85 HB3 PRO 11 2HB PRO 11 19.349 -1.029 -2.767 86 HG2 PRO 11 1HG PRO 11 20.991 -1.583 -4.786 87 HG3 PRO 11 2HG PRO 11 19.467 -0.710 -5.032 88 HD2 PRO 11 1HD PRO 11 22.261 0.367 -4.991 89 HD3 PRO 11 2HD PRO 11 20.873 0.864 -5.985 90 HA PRO 12 HA PRO 12 21.439 2.722 0.857 91 HB2 PRO 12 1HB PRO 12 20.044 0.672 2.502 92 HB3 PRO 12 2HB PRO 12 20.090 2.435 2.691 93 HG2 PRO 12 1HG PRO 12 17.921 1.179 1.797 94 HG3 PRO 12 2HG PRO 12 18.393 2.779 1.194 95 HD2 PRO 12 1HD PRO 12 18.662 0.115 -0.140 96 HD3 PRO 12 2HD PRO 12 18.326 1.709 -0.852 97 H THR 13 H THR 13 20.941 -0.812 1.134 98 HA THR 13 HA THR 13 23.338 -1.305 2.532 99 HB THR 13 HB THR 13 22.937 -3.664 2.012 100 HG1 THR 13 HG1 THR 13 20.841 -2.695 0.372 101 HG21 THR 13 1HG2 THR 13 20.821 -3.852 3.108 102 HG22 THR 13 2HG2 THR 13 20.292 -2.283 2.502 103 HG23 THR 13 3HG2 THR 13 21.561 -2.374 3.723 104 H SER 14 H SER 14 23.000 -0.473 -0.754 105 HA SER 14 HA SER 14 25.080 -2.265 -1.751 106 HB2 SER 14 1HB SER 14 24.624 -1.337 -3.909 107 HB3 SER 14 2HB SER 14 23.062 -1.553 -3.127 108 HG SER 14 HG SER 14 24.523 0.782 -3.660 109 H ILE 15 H ILE 15 24.534 1.213 -1.367 110 HA ILE 15 HA ILE 15 27.210 2.045 -1.777 111 HB ILE 15 HB ILE 15 25.126 3.301 0.028 112 HG12 ILE 15 1HG1 ILE 15 24.224 3.012 -2.229 113 HG13 ILE 15 2HG1 ILE 15 24.580 4.709 -1.936 114 HG21 ILE 15 1HG2 ILE 15 27.412 4.151 0.361 115 HG22 ILE 15 2HG2 ILE 15 26.389 5.372 -0.396 116 HG23 ILE 15 3HG2 ILE 15 27.549 4.468 -1.369 117 HD11 ILE 15 1HD1 ILE 15 25.739 4.673 -3.869 118 HD12 ILE 15 2HD1 ILE 15 25.665 2.916 -3.959 119 HD13 ILE 15 3HD1 ILE 15 26.954 3.696 -3.047 120 H LEU 16 H LEU 16 25.417 0.966 1.088 121 HA LEU 16 HA LEU 16 27.419 1.457 3.018 122 HB2 LEU 16 1HB LEU 16 25.016 0.840 3.451 123 HB3 LEU 16 2HB LEU 16 25.427 -0.821 3.031 124 HG LEU 16 HG LEU 16 27.111 0.592 5.074 125 HD11 LEU 16 1HD1 LEU 16 24.672 0.974 5.658 126 HD12 LEU 16 2HD1 LEU 16 25.592 0.072 6.862 127 HD13 LEU 16 3HD1 LEU 16 24.501 -0.778 5.767 128 HD21 LEU 16 1HD2 LEU 16 26.849 -1.874 6.003 129 HD22 LEU 16 2HD2 LEU 16 27.929 -1.552 4.649 130 HD23 LEU 16 3HD2 LEU 16 26.323 -2.216 4.354 131 H LEU 17 H LEU 17 26.873 -1.262 0.825 132 HA LEU 17 HA LEU 17 28.674 -3.076 2.050 133 HB2 LEU 17 1HB LEU 17 26.909 -3.720 0.410 134 HB3 LEU 17 2HB LEU 17 27.855 -2.946 -0.862 135 HG LEU 17 HG LEU 17 29.787 -4.454 -0.195 136 HD11 LEU 17 1HD1 LEU 17 28.892 -6.602 0.966 137 HD12 LEU 17 2HD1 LEU 17 27.576 -5.569 1.525 138 HD13 LEU 17 3HD1 LEU 17 29.241 -5.197 1.973 139 HD21 LEU 17 1HD2 LEU 17 28.347 -4.896 -2.164 140 HD22 LEU 17 2HD2 LEU 17 27.232 -5.797 -1.137 141 HD23 LEU 17 3HD2 LEU 17 28.869 -6.397 -1.401 142 H LEU 18 H LEU 18 29.040 -0.767 -0.613 143 HA LEU 18 HA LEU 18 31.713 -1.334 -1.267 144 HB2 LEU 18 1HB LEU 18 30.180 0.125 -2.602 145 HB3 LEU 18 2HB LEU 18 30.351 1.370 -1.365 146 HG LEU 18 HG LEU 18 32.907 1.098 -1.755 147 HD11 LEU 18 1HD1 LEU 18 32.048 0.208 -4.493 148 HD12 LEU 18 2HD1 LEU 18 32.339 -0.997 -3.240 149 HD13 LEU 18 3HD1 LEU 18 33.634 0.092 -3.733 150 HD21 LEU 18 1HD2 LEU 18 30.948 2.369 -3.671 151 HD22 LEU 18 2HD2 LEU 18 32.689 2.574 -3.866 152 HD23 LEU 18 3HD2 LEU 18 31.893 3.142 -2.398 153 H LEU 19 H LEU 19 30.301 0.881 1.121 154 HA LEU 19 HA LEU 19 32.717 2.023 2.032 155 HB2 LEU 19 1HB LEU 19 30.140 1.509 3.538 156 HB3 LEU 19 2HB LEU 19 31.449 2.547 4.102 157 HG LEU 19 HG LEU 19 30.000 2.943 1.470 158 HD11 LEU 19 1HD1 LEU 19 28.398 3.348 3.216 159 HD12 LEU 19 2HD1 LEU 19 28.994 4.926 2.701 160 HD13 LEU 19 3HD1 LEU 19 29.591 4.202 4.194 161 HD21 LEU 19 1HD2 LEU 19 32.154 3.953 1.368 162 HD22 LEU 19 2HD2 LEU 19 32.056 4.509 3.040 163 HD23 LEU 19 3HD2 LEU 19 31.057 5.265 1.799 164 H ALA 20 H ALA 20 31.041 -0.956 2.942 165 HA ALA 20 HA ALA 20 32.571 -1.545 5.243 166 HB1 ALA 20 1HB ALA 20 31.520 -3.735 3.495 167 HB2 ALA 20 2HB ALA 20 30.379 -2.641 4.276 168 HB3 ALA 20 3HB ALA 20 31.495 -3.594 5.253 169 H CYS 21 H CYS 21 32.990 -2.483 1.842 170 HA CYS 21 HA CYS 21 35.136 -4.263 2.255 171 HB2 CYS 21 1HB CYS 21 34.402 -2.619 -0.177 172 HB3 CYS 21 2HB CYS 21 35.585 -3.926 -0.171 173 HG CYS 21 HG CYS 21 33.140 -5.111 0.959 174 H ILE 22 H ILE 22 35.096 -0.804 1.405 175 HA ILE 22 HA ILE 22 37.900 -0.586 1.118 176 HB ILE 22 HB ILE 22 37.527 1.866 1.309 177 HG12 ILE 22 1HG1 ILE 22 34.628 1.067 1.720 178 HG13 ILE 22 2HG1 ILE 22 35.661 1.743 2.976 179 HG21 ILE 22 1HG2 ILE 22 37.212 0.531 -0.803 180 HG22 ILE 22 2HG2 ILE 22 36.262 2.016 -0.745 181 HG23 ILE 22 3HG2 ILE 22 35.488 0.462 -0.437 182 HD11 ILE 22 1HD1 ILE 22 36.045 3.728 1.442 183 HD12 ILE 22 2HD1 ILE 22 34.408 3.574 2.078 184 HD13 ILE 22 3HD1 ILE 22 34.760 3.083 0.421 185 H PHE 23 H PHE 23 35.799 -0.176 3.942 186 HA PHE 23 HA PHE 23 37.725 0.973 5.651 187 HB2 PHE 23 1HB PHE 23 35.287 0.881 6.108 188 HB3 PHE 23 2HB PHE 23 35.426 -0.845 6.380 189 HD1 PHE 23 HD1 PHE 23 36.498 -1.720 8.398 190 HD2 PHE 23 HD2 PHE 23 36.142 2.505 7.709 191 HE1 PHE 23 HE1 PHE 23 37.052 -1.286 10.775 192 HE2 PHE 23 HE2 PHE 23 36.697 2.939 10.087 193 HZ PHE 23 HZ PHE 23 37.152 1.043 11.621 194 H LEU 24 H LEU 24 36.780 -2.418 5.136 195 HA LEU 24 HA LEU 24 38.400 -3.471 7.199 196 HB2 LEU 24 1HB LEU 24 37.338 -4.818 4.706 197 HB3 LEU 24 2HB LEU 24 38.003 -5.651 6.110 198 HG LEU 24 HG LEU 24 35.628 -3.770 6.222 199 HD11 LEU 24 1HD1 LEU 24 34.821 -5.626 5.016 200 HD12 LEU 24 2HD1 LEU 24 34.447 -6.043 6.689 201 HD13 LEU 24 3HD1 LEU 24 35.849 -6.759 5.894 202 HD21 LEU 24 1HD2 LEU 24 37.008 -5.591 8.203 203 HD22 LEU 24 2HD2 LEU 24 35.346 -5.052 8.441 204 HD23 LEU 24 3HD2 LEU 24 36.655 -3.871 8.367 205 H ILE 25 H ILE 25 39.002 -3.084 3.706 206 HA ILE 25 HA ILE 25 41.416 -4.582 3.761 207 HB ILE 25 HB ILE 25 40.102 -4.237 1.706 208 HG12 ILE 25 1HG1 ILE 25 42.091 -3.681 0.239 209 HG13 ILE 25 2HG1 ILE 25 42.983 -3.310 1.714 210 HG21 ILE 25 1HG2 ILE 25 40.147 -2.143 0.520 211 HG22 ILE 25 2HG2 ILE 25 41.241 -1.433 1.706 212 HG23 ILE 25 3HG2 ILE 25 39.580 -1.820 2.157 213 HD11 ILE 25 1HD1 ILE 25 41.568 -5.950 1.323 214 HD12 ILE 25 2HD1 ILE 25 42.809 -5.546 2.508 215 HD13 ILE 25 3HD1 ILE 25 43.234 -5.694 0.803 216 H LYS 26 H LYS 26 40.802 -1.065 3.927 217 HA LYS 26 HA LYS 26 43.534 -0.328 3.785 218 HB2 LYS 26 1HB LYS 26 41.218 1.161 5.034 219 HB3 LYS 26 2HB LYS 26 42.789 1.854 4.641 220 HG2 LYS 26 1HG LYS 26 40.950 0.558 2.612 221 HG3 LYS 26 2HG LYS 26 41.044 2.295 2.893 222 HD2 LYS 26 1HD LYS 26 43.520 2.141 2.386 223 HD3 LYS 26 2HD LYS 26 43.241 0.474 1.879 224 HE2 LYS 26 1HE LYS 26 43.038 1.630 -0.141 225 HE3 LYS 26 2HE LYS 26 41.359 1.510 0.388 226 HZ1 LYS 26 1HZ LYS 26 41.408 3.719 0.048 227 HZ2 LYS 26 2HZ LYS 26 43.093 3.833 0.226 228 HZ3 LYS 26 3HZ LYS 26 42.095 3.756 1.598 229 H ILE 27 H ILE 27 41.410 -0.962 6.574 230 HA ILE 27 HA ILE 27 43.354 -0.147 8.485 231 HB ILE 27 HB ILE 27 40.932 -0.199 8.958 232 HG12 ILE 27 1HG1 ILE 27 41.167 -1.300 11.231 233 HG13 ILE 27 2HG1 ILE 27 42.771 -1.830 10.723 234 HG21 ILE 27 1HG2 ILE 27 40.387 -2.317 7.824 235 HG22 ILE 27 2HG2 ILE 27 39.851 -2.336 9.503 236 HG23 ILE 27 3HG2 ILE 27 41.312 -3.206 9.035 237 HD11 ILE 27 1HD1 ILE 27 41.992 1.066 10.476 238 HD12 ILE 27 2HD1 ILE 27 43.602 0.358 10.608 239 HD13 ILE 27 3HD1 ILE 27 42.551 0.425 12.022 240 H LEU 28 H LEU 28 42.555 -3.303 7.078 241 HA LEU 28 HA LEU 28 44.132 -4.861 8.822 242 HB2 LEU 28 1HB LEU 28 42.407 -5.763 7.269 243 HB3 LEU 28 2HB LEU 28 43.483 -5.412 5.917 244 HG LEU 28 HG LEU 28 45.230 -6.847 7.078 245 HD11 LEU 28 1HD1 LEU 28 44.159 -8.536 8.687 246 HD12 LEU 28 2HD1 LEU 28 42.820 -7.396 8.818 247 HD13 LEU 28 3HD1 LEU 28 44.439 -6.916 9.324 248 HD21 LEU 28 1HD2 LEU 28 42.656 -8.299 6.409 249 HD22 LEU 28 2HD2 LEU 28 44.304 -8.898 6.219 250 HD23 LEU 28 3HD2 LEU 28 43.715 -7.596 5.186 251 H ALA 29 H ALA 29 44.877 -3.359 5.685 252 HA ALA 29 HA ALA 29 47.524 -4.327 5.490 253 HB1 ALA 29 1HB ALA 29 47.831 -2.553 3.817 254 HB2 ALA 29 2HB ALA 29 46.321 -1.802 4.334 255 HB3 ALA 29 3HB ALA 29 46.299 -3.394 3.576 256 H ALA 30 H ALA 30 46.164 -1.445 7.020 257 HA ALA 30 HA ALA 30 47.114 0.213 8.297 258 HB1 ALA 30 1HB ALA 30 47.530 -1.930 9.634 259 HB2 ALA 30 2HB ALA 30 48.517 -0.526 10.041 260 HB3 ALA 30 3HB ALA 30 49.194 -1.825 9.059 261 H SER 31 H SER 31 48.257 -0.258 5.492 262 HA SER 31 HA SER 31 51.015 0.195 5.442 263 HB2 SER 31 1HB SER 31 48.959 1.289 3.508 264 HB3 SER 31 2HB SER 31 50.676 1.059 3.194 265 HG SER 31 HG SER 31 50.206 -1.223 3.795 266 H ALA 32 H ALA 32 48.327 2.477 5.796 267 HA ALA 32 HA ALA 32 49.816 4.854 5.524 268 HB1 ALA 32 1HB ALA 32 47.326 4.716 5.490 269 HB2 ALA 32 2HB ALA 32 47.934 5.952 6.591 270 HB3 ALA 32 3HB ALA 32 47.353 4.413 7.227 271 H LEU 33 H LEU 33 49.029 2.894 8.389 272 HA LEU 33 HA LEU 33 50.062 4.656 10.322 273 HB2 LEU 33 1HB LEU 33 48.629 2.676 10.808 274 HB3 LEU 33 2HB LEU 33 50.004 1.633 10.445 275 HG LEU 33 HG LEU 33 51.302 2.907 12.215 276 HD11 LEU 33 1HD1 LEU 33 48.531 4.035 12.658 277 HD12 LEU 33 2HD1 LEU 33 50.036 4.922 12.418 278 HD13 LEU 33 3HD1 LEU 33 49.763 4.038 13.920 279 HD21 LEU 33 1HD2 LEU 33 48.787 1.467 13.116 280 HD22 LEU 33 2HD2 LEU 33 50.252 1.684 14.074 281 HD23 LEU 33 3HD2 LEU 33 50.287 0.681 12.624 282 H TRP 34 H TRP 34 51.607 2.070 8.459 283 HA TRP 34 HA TRP 34 54.103 2.141 9.785 284 HB2 TRP 34 1HB TRP 34 53.349 1.286 6.994 285 HB3 TRP 34 2HB TRP 34 54.953 1.078 7.669 286 HD1 TRP 34 HD1 TRP 34 51.644 -0.546 7.419 287 HE1 TRP 34 HE1 TRP 34 51.555 -2.645 8.911 288 HE3 TRP 34 HE3 TRP 34 55.884 0.153 10.176 289 HZ2 TRP 34 HZ2 TRP 34 53.083 -3.869 11.002 290 HZ3 TRP 34 HZ3 TRP 34 56.543 -1.489 11.907 291 HH2 TRP 34 HH2 TRP 34 55.152 -3.497 12.325 292 H ALA 35 H ALA 35 52.941 3.816 6.874 293 HA ALA 35 HA ALA 35 55.379 5.032 6.171 294 HB1 ALA 35 1HB ALA 35 52.617 6.168 5.705 295 HB2 ALA 35 2HB ALA 35 53.325 4.879 4.731 296 HB3 ALA 35 3HB ALA 35 54.074 6.476 4.760 297 H ALA 36 H ALA 36 52.782 6.097 8.324 298 HA ALA 36 HA ALA 36 53.680 8.711 8.801 299 HB1 ALA 36 1HB ALA 36 51.516 8.214 9.566 300 HB2 ALA 36 2HB ALA 36 52.461 8.363 11.048 301 HB3 ALA 36 3HB ALA 36 52.052 6.766 10.419 302 H ALA 37 H ALA 37 54.699 5.639 10.193 303 HA ALA 37 HA ALA 37 56.089 6.565 12.438 304 HB1 ALA 37 1HB ALA 37 57.221 4.471 12.436 305 HB2 ALA 37 2HB ALA 37 57.005 4.276 10.696 306 HB3 ALA 37 3HB ALA 37 55.616 4.155 11.776 307 H TRP 38 H TRP 38 57.074 6.420 9.042 308 HA TRP 38 HA TRP 38 59.802 6.923 9.303 309 HB2 TRP 38 1HB TRP 38 58.625 6.382 7.185 310 HB3 TRP 38 2HB TRP 38 57.953 8.001 7.174 311 HD1 TRP 38 HD1 TRP 38 59.343 9.822 6.050 312 HE1 TRP 38 HE1 TRP 38 61.726 9.962 5.081 313 HE3 TRP 38 HE3 TRP 38 61.199 5.334 7.624 314 HZ2 TRP 38 HZ2 TRP 38 64.110 8.378 4.986 315 HZ3 TRP 38 HZ3 TRP 38 63.522 4.675 7.083 316 HH2 TRP 38 HH2 TRP 38 64.980 6.187 5.768 317 H HIS 39 H HIS 39 57.073 9.169 9.426 318 HA HIS 39 HA HIS 39 58.943 11.408 9.883 319 HB2 HIS 39 1HB HIS 39 56.005 11.373 9.189 320 HB3 HIS 39 2HB HIS 39 56.926 12.826 9.527 321 HD1 HIS 39 HD1 HIS 39 56.264 10.275 6.901 322 HD2 HIS 39 HD2 HIS 39 58.802 13.536 7.452 323 HE1 HIS 39 HE1 HIS 39 57.247 10.808 4.630 324 H GLY 40 H GLY 40 58.920 12.556 11.765 325 HA2 GLY 40 1HA GLY 40 57.018 12.848 13.687 326 HA3 GLY 40 2HA GLY 40 57.735 11.286 14.073 327 H GLN 41 H GLN 41 58.705 14.628 13.292 328 HA GLN 41 HA GLN 41 60.359 15.972 14.134 329 HB2 GLN 41 1HB GLN 41 60.011 14.157 16.534 330 HB3 GLN 41 2HB GLN 41 60.905 15.678 16.538 331 HG2 GLN 41 1HG GLN 41 58.890 16.905 15.906 332 HG3 GLN 41 2HG GLN 41 57.980 15.401 15.793 333 HE21 GLN 41 1HE2 GLN 41 57.188 17.502 17.572 334 HE22 GLN 41 2HE2 GLN 41 57.392 16.955 19.166 335 H LYS 42 H LYS 42 61.216 13.977 12.427 336 HA LYS 42 HA LYS 42 63.349 12.413 13.436 337 HB2 LYS 42 1HB LYS 42 64.023 12.182 11.075 338 HB3 LYS 42 2HB LYS 42 62.291 11.927 11.281 339 HG2 LYS 42 1HG LYS 42 62.058 14.450 10.737 340 HG3 LYS 42 2HG LYS 42 63.709 14.328 10.131 341 HD2 LYS 42 1HD LYS 42 61.576 12.391 9.241 342 HD3 LYS 42 2HD LYS 42 61.789 13.949 8.440 343 HE2 LYS 42 1HE LYS 42 64.211 13.370 8.103 344 HE3 LYS 42 2HE LYS 42 63.864 11.761 8.736 345 HZ1 LYS 42 1HZ LYS 42 63.281 12.874 6.157 346 HZ2 LYS 42 2HZ LYS 42 61.930 12.136 6.876 347 HZ3 LYS 42 3HZ LYS 42 63.361 11.251 6.642 348 HA PRO 43 HA PRO 43 66.454 15.555 13.751 349 HB2 PRO 43 1HB PRO 43 68.745 14.117 13.671 350 HB3 PRO 43 2HB PRO 43 67.619 14.023 15.040 351 HG2 PRO 43 1HG PRO 43 68.058 12.114 12.821 352 HG3 PRO 43 2HG PRO 43 67.636 11.808 14.513 353 HD2 PRO 43 1HD PRO 43 65.835 11.783 12.375 354 HD3 PRO 43 2HD PRO 43 65.397 11.912 14.091 355 H GLY 44 H GLY 44 67.414 13.139 11.289 356 HA2 GLY 44 1HA GLY 44 67.388 14.914 9.107 357 HA3 GLY 44 2HA GLY 44 69.027 14.853 9.750 358 H THR 45 H THR 45 69.151 14.001 7.381 359 HA THR 45 HA THR 45 68.949 11.043 7.460 360 HB THR 45 HB THR 45 68.739 12.812 5.012 361 HG1 THR 45 HG1 THR 45 66.823 13.075 5.886 362 HG21 THR 45 1HG2 THR 45 68.534 9.840 5.513 363 HG22 THR 45 2HG2 THR 45 69.585 10.684 4.375 364 HG23 THR 45 3HG2 THR 45 67.850 10.595 4.073 365 H HIS 46 H HIS 46 70.729 9.898 6.860 366 HA HIS 46 HA HIS 46 73.241 11.332 6.746 367 HB2 HIS 46 1HB HIS 46 72.586 8.388 6.611 368 HB3 HIS 46 2HB HIS 46 74.214 9.038 6.628 369 HD1 HIS 46 HD1 HIS 46 73.353 7.147 8.862 370 HD2 HIS 46 HD2 HIS 46 72.960 11.289 9.118 371 HE1 HIS 46 HE1 HIS 46 73.250 7.704 11.329 Start of MODEL 2 1 H ARG 1 3H ARG 1 7.188 0.496 -17.043 2 HA ARG 1 HA ARG 1 6.883 -1.176 -14.935 3 HB2 ARG 1 1HB ARG 1 7.648 -2.886 -16.504 4 HB3 ARG 1 2HB ARG 1 6.679 -1.685 -17.352 5 HG2 ARG 1 1HG ARG 1 8.825 -0.533 -18.012 6 HG3 ARG 1 2HG ARG 1 9.702 -1.903 -17.328 7 HD2 ARG 1 1HD ARG 1 8.427 -3.420 -18.853 8 HD3 ARG 1 2HD ARG 1 7.691 -2.001 -19.592 9 HE ARG 1 HE ARG 1 10.577 -1.917 -19.562 10 HH11 ARG 1 1HH1 ARG 1 7.791 -3.056 -21.369 11 HH12 ARG 1 2HH1 ARG 1 8.663 -3.122 -22.865 12 HH21 ARG 1 1HH2 ARG 1 11.647 -2.024 -21.516 13 HH22 ARG 1 2HH2 ARG 1 10.818 -2.545 -22.946 14 H SER 2 H SER 2 8.811 0.688 -14.000 15 HA SER 2 HA SER 2 11.458 -0.225 -14.023 16 HB2 SER 2 1HB SER 2 11.777 1.139 -12.048 17 HB3 SER 2 2HB SER 2 10.707 1.982 -13.162 18 HG SER 2 HG SER 2 9.006 1.520 -11.880 19 H LEU 3 H LEU 3 8.692 -1.402 -12.210 20 HA LEU 3 HA LEU 3 9.980 -2.718 -10.108 21 HB2 LEU 3 1HB LEU 3 7.515 -2.444 -10.338 22 HB3 LEU 3 2HB LEU 3 7.529 -3.670 -11.605 23 HG LEU 3 HG LEU 3 8.620 -5.238 -9.941 24 HD11 LEU 3 1HD1 LEU 3 8.156 -4.544 -7.513 25 HD12 LEU 3 2HD1 LEU 3 7.966 -2.904 -8.134 26 HD13 LEU 3 3HD1 LEU 3 9.508 -3.743 -8.314 27 HD21 LEU 3 1HD2 LEU 3 6.439 -5.511 -8.605 28 HD22 LEU 3 2HD2 LEU 3 6.299 -5.569 -10.362 29 HD23 LEU 3 3HD2 LEU 3 5.855 -4.101 -9.490 30 H LEU 4 H LEU 4 9.466 -3.729 -13.462 31 HA LEU 4 HA LEU 4 10.213 -6.425 -13.206 32 HB2 LEU 4 1HB LEU 4 9.162 -5.412 -15.228 33 HB3 LEU 4 2HB LEU 4 10.693 -4.612 -15.583 34 HG LEU 4 HG LEU 4 11.777 -6.908 -15.548 35 HD11 LEU 4 1HD1 LEU 4 8.860 -7.671 -15.357 36 HD12 LEU 4 2HD1 LEU 4 10.202 -8.230 -14.360 37 HD13 LEU 4 3HD1 LEU 4 10.064 -8.768 -16.035 38 HD21 LEU 4 1HD2 LEU 4 9.609 -6.290 -17.577 39 HD22 LEU 4 2HD2 LEU 4 10.850 -7.522 -17.808 40 HD23 LEU 4 3HD2 LEU 4 11.309 -5.825 -17.667 41 H GLU 5 H GLU 5 12.155 -3.508 -13.728 42 HA GLU 5 HA GLU 5 14.636 -4.814 -14.136 43 HB2 GLU 5 1HB GLU 5 14.026 -2.056 -13.050 44 HB3 GLU 5 2HB GLU 5 15.626 -2.613 -13.541 45 HG2 GLU 5 1HG GLU 5 14.732 -3.084 -15.814 46 HG3 GLU 5 2HG GLU 5 13.176 -2.436 -15.315 47 H GLY 6 H GLY 6 12.980 -3.683 -11.218 48 HA2 GLY 6 1HA GLY 6 13.264 -4.293 -9.013 49 HA3 GLY 6 2HA GLY 6 14.372 -5.546 -9.557 50 H GLU 7 H GLU 7 14.854 -2.146 -10.327 51 HA GLU 7 HA GLU 7 17.197 -2.118 -8.509 52 HB2 GLU 7 1HB GLU 7 17.737 -2.128 -10.954 53 HB3 GLU 7 2HB GLU 7 16.872 -0.598 -11.105 54 HG2 GLU 7 1HG GLU 7 18.380 0.388 -9.385 55 HG3 GLU 7 2HG GLU 7 19.279 -1.122 -9.341 56 H ILE 8 H ILE 8 17.424 -0.442 -7.138 57 HA ILE 8 HA ILE 8 15.384 1.693 -7.230 58 HB ILE 8 HB ILE 8 15.302 0.162 -5.303 59 HG12 ILE 8 1HG1 ILE 8 14.659 2.634 -5.230 60 HG13 ILE 8 2HG1 ILE 8 14.862 1.800 -3.705 61 HG21 ILE 8 1HG2 ILE 8 17.626 -0.441 -5.109 62 HG22 ILE 8 2HG2 ILE 8 17.074 0.251 -3.584 63 HG23 ILE 8 3HG2 ILE 8 18.060 1.215 -4.682 64 HD11 ILE 8 1HD1 ILE 8 17.369 3.060 -4.520 65 HD12 ILE 8 2HD1 ILE 8 16.434 3.267 -3.049 66 HD13 ILE 8 3HD1 ILE 8 16.047 4.221 -4.473 67 HA PRO 9 HA PRO 9 18.731 4.494 -8.280 68 HB2 PRO 9 1HB PRO 9 17.473 6.366 -6.316 69 HB3 PRO 9 2HB PRO 9 17.982 6.662 -7.991 70 HG2 PRO 9 1HG PRO 9 15.422 6.355 -7.368 71 HG3 PRO 9 2HG PRO 9 16.090 5.714 -8.880 72 HD2 PRO 9 1HD PRO 9 15.274 4.245 -6.423 73 HD3 PRO 9 2HD PRO 9 15.265 3.708 -8.115 74 H PHE 10 H PHE 10 20.511 3.496 -7.338 75 HA PHE 10 HA PHE 10 22.240 3.196 -5.856 76 HB2 PHE 10 1HB PHE 10 21.178 5.849 -4.890 77 HB3 PHE 10 2HB PHE 10 22.653 5.118 -4.287 78 HD1 PHE 10 HD1 PHE 10 24.656 4.987 -5.685 79 HD2 PHE 10 HD2 PHE 10 21.028 6.766 -7.144 80 HE1 PHE 10 HE1 PHE 10 25.910 5.996 -7.571 81 HE2 PHE 10 HE2 PHE 10 22.282 7.776 -9.031 82 HZ PHE 10 HZ PHE 10 24.723 7.391 -9.244 83 HA PRO 11 HA PRO 11 19.275 1.411 -2.801 84 HB2 PRO 11 1HB PRO 11 21.262 -0.786 -2.676 85 HB3 PRO 11 2HB PRO 11 19.513 -0.856 -2.955 86 HG2 PRO 11 1HG PRO 11 21.294 -1.291 -4.903 87 HG3 PRO 11 2HG PRO 11 19.721 -0.532 -5.203 88 HD2 PRO 11 1HD PRO 11 22.423 0.745 -5.047 89 HD3 PRO 11 2HD PRO 11 21.037 1.155 -6.083 90 HA PRO 12 HA PRO 12 21.620 2.991 0.685 91 HB2 PRO 12 1HB PRO 12 20.108 1.136 2.444 92 HB3 PRO 12 2HB PRO 12 20.232 2.904 2.504 93 HG2 PRO 12 1HG PRO 12 18.015 1.665 1.685 94 HG3 PRO 12 2HG PRO 12 18.545 3.211 0.996 95 HD2 PRO 12 1HD PRO 12 18.724 0.471 -0.187 96 HD3 PRO 12 2HD PRO 12 18.441 2.034 -0.985 97 H THR 13 H THR 13 20.868 -0.457 1.258 98 HA THR 13 HA THR 13 23.237 -1.058 2.624 99 HB THR 13 HB THR 13 21.276 -2.503 2.703 100 HG1 THR 13 HG1 THR 13 22.458 -4.268 2.835 101 HG21 THR 13 1HG2 THR 13 20.662 -2.148 0.284 102 HG22 THR 13 2HG2 THR 13 20.587 -3.831 0.808 103 HG23 THR 13 3HG2 THR 13 21.957 -3.266 -0.148 104 H SER 14 H SER 14 22.935 -0.368 -0.711 105 HA SER 14 HA SER 14 24.860 -2.361 -1.620 106 HB2 SER 14 1HB SER 14 23.043 -1.801 -3.135 107 HB3 SER 14 2HB SER 14 23.458 -0.092 -3.054 108 HG SER 14 HG SER 14 24.899 -2.241 -4.202 109 H ILE 15 H ILE 15 24.607 1.176 -1.551 110 HA ILE 15 HA ILE 15 27.353 1.674 -2.075 111 HB ILE 15 HB ILE 15 25.600 3.388 -2.356 112 HG12 ILE 15 1HG1 ILE 15 27.561 4.296 -0.243 113 HG13 ILE 15 2HG1 ILE 15 28.069 3.897 -1.886 114 HG21 ILE 15 1HG2 ILE 15 24.678 4.530 -0.388 115 HG22 ILE 15 2HG2 ILE 15 25.536 3.415 0.676 116 HG23 ILE 15 3HG2 ILE 15 24.244 2.821 -0.369 117 HD11 ILE 15 1HD1 ILE 15 26.155 5.512 -2.614 118 HD12 ILE 15 2HD1 ILE 15 27.665 6.205 -2.022 119 HD13 ILE 15 3HD1 ILE 15 26.260 6.118 -0.962 120 H LEU 16 H LEU 16 25.503 1.099 0.887 121 HA LEU 16 HA LEU 16 27.566 1.727 2.732 122 HB2 LEU 16 1HB LEU 16 25.171 1.394 3.342 123 HB3 LEU 16 2HB LEU 16 25.369 -0.333 3.039 124 HG LEU 16 HG LEU 16 27.272 -0.302 4.719 125 HD11 LEU 16 1HD1 LEU 16 26.186 2.495 5.056 126 HD12 LEU 16 2HD1 LEU 16 27.863 1.989 4.852 127 HD13 LEU 16 3HD1 LEU 16 27.023 1.669 6.370 128 HD21 LEU 16 1HD2 LEU 16 24.400 0.272 5.415 129 HD22 LEU 16 2HD2 LEU 16 25.591 0.046 6.696 130 HD23 LEU 16 3HD2 LEU 16 25.286 -1.247 5.537 131 H LEU 17 H LEU 17 26.782 -1.208 0.914 132 HA LEU 17 HA LEU 17 28.477 -2.970 2.356 133 HB2 LEU 17 1HB LEU 17 26.619 -3.620 0.767 134 HB3 LEU 17 2HB LEU 17 27.707 -3.213 -0.559 135 HG LEU 17 HG LEU 17 28.683 -5.062 1.594 136 HD11 LEU 17 1HD1 LEU 17 26.502 -5.995 0.995 137 HD12 LEU 17 2HD1 LEU 17 27.781 -6.984 0.292 138 HD13 LEU 17 3HD1 LEU 17 26.886 -5.850 -0.720 139 HD21 LEU 17 1HD2 LEU 17 29.690 -6.065 -0.614 140 HD22 LEU 17 2HD2 LEU 17 30.365 -4.572 0.037 141 HD23 LEU 17 3HD2 LEU 17 29.233 -4.511 -1.314 142 H LEU 18 H LEU 18 28.952 -1.081 -0.606 143 HA LEU 18 HA LEU 18 31.585 -1.900 -1.168 144 HB2 LEU 18 1HB LEU 18 30.302 0.796 -1.691 145 HB3 LEU 18 2HB LEU 18 31.755 0.174 -2.474 146 HG LEU 18 HG LEU 18 29.033 -1.156 -2.603 147 HD11 LEU 18 1HD1 LEU 18 30.521 0.600 -4.576 148 HD12 LEU 18 2HD1 LEU 18 28.952 0.925 -3.837 149 HD13 LEU 18 3HD1 LEU 18 29.123 -0.388 -5.003 150 HD21 LEU 18 1HD2 LEU 18 30.668 -2.833 -2.938 151 HD22 LEU 18 2HD2 LEU 18 31.743 -1.734 -3.801 152 HD23 LEU 18 3HD2 LEU 18 30.266 -2.311 -4.574 153 H LEU 19 H LEU 19 30.324 0.736 0.851 154 HA LEU 19 HA LEU 19 32.777 1.884 1.593 155 HB2 LEU 19 1HB LEU 19 30.539 2.864 2.078 156 HB3 LEU 19 2HB LEU 19 30.293 1.621 3.305 157 HG LEU 19 HG LEU 19 32.441 2.414 4.395 158 HD11 LEU 19 1HD1 LEU 19 33.012 4.831 3.762 159 HD12 LEU 19 2HD1 LEU 19 32.080 4.556 2.290 160 HD13 LEU 19 3HD1 LEU 19 33.517 3.587 2.619 161 HD21 LEU 19 1HD2 LEU 19 29.967 4.113 4.136 162 HD22 LEU 19 2HD2 LEU 19 31.302 4.642 5.160 163 HD23 LEU 19 3HD2 LEU 19 30.486 3.115 5.495 164 H ALA 20 H ALA 20 31.015 -0.888 2.912 165 HA ALA 20 HA ALA 20 32.568 -1.247 5.240 166 HB1 ALA 20 1HB ALA 20 30.372 -2.348 4.804 167 HB2 ALA 20 2HB ALA 20 31.622 -3.481 5.322 168 HB3 ALA 20 3HB ALA 20 31.166 -3.387 3.621 169 H CYS 21 H CYS 21 32.886 -2.618 1.977 170 HA CYS 21 HA CYS 21 35.005 -4.383 2.527 171 HB2 CYS 21 1HB CYS 21 34.304 -2.922 -0.032 172 HB3 CYS 21 2HB CYS 21 35.465 -4.246 0.079 173 HG CYS 21 HG CYS 21 32.460 -4.647 0.865 174 H ILE 22 H ILE 22 35.022 -1.013 1.412 175 HA ILE 22 HA ILE 22 37.798 -0.760 1.049 176 HB ILE 22 HB ILE 22 35.810 1.376 1.872 177 HG12 ILE 22 1HG1 ILE 22 36.802 0.598 -0.886 178 HG13 ILE 22 2HG1 ILE 22 35.257 0.076 -0.217 179 HG21 ILE 22 1HG2 ILE 22 38.485 1.615 0.456 180 HG22 ILE 22 2HG2 ILE 22 38.215 2.009 2.153 181 HG23 ILE 22 3HG2 ILE 22 37.409 2.943 0.892 182 HD11 ILE 22 1HD1 ILE 22 34.833 2.037 -1.556 183 HD12 ILE 22 2HD1 ILE 22 36.142 2.919 -0.770 184 HD13 ILE 22 3HD1 ILE 22 34.685 2.511 0.135 185 H PHE 23 H PHE 23 35.770 -0.233 3.909 186 HA PHE 23 HA PHE 23 37.741 0.856 5.589 187 HB2 PHE 23 1HB PHE 23 35.314 0.822 6.090 188 HB3 PHE 23 2HB PHE 23 35.414 -0.907 6.364 189 HD1 PHE 23 HD1 PHE 23 36.495 -1.805 8.366 190 HD2 PHE 23 HD2 PHE 23 36.242 2.427 7.672 191 HE1 PHE 23 HE1 PHE 23 37.108 -1.380 10.732 192 HE2 PHE 23 HE2 PHE 23 36.855 2.852 10.037 193 HZ PHE 23 HZ PHE 23 37.288 0.949 11.568 194 H LEU 24 H LEU 24 36.789 -2.513 5.012 195 HA LEU 24 HA LEU 24 38.354 -3.708 7.010 196 HB2 LEU 24 1HB LEU 24 37.544 -4.795 4.301 197 HB3 LEU 24 2HB LEU 24 38.206 -5.763 5.618 198 HG LEU 24 HG LEU 24 35.699 -4.079 5.865 199 HD11 LEU 24 1HD1 LEU 24 35.461 -5.955 4.220 200 HD12 LEU 24 2HD1 LEU 24 34.453 -6.163 5.652 201 HD13 LEU 24 3HD1 LEU 24 35.951 -7.079 5.488 202 HD21 LEU 24 1HD2 LEU 24 35.428 -5.762 7.830 203 HD22 LEU 24 2HD2 LEU 24 36.576 -4.438 8.027 204 HD23 LEU 24 3HD2 LEU 24 37.155 -6.052 7.620 205 H ILE 25 H ILE 25 39.124 -2.909 3.646 206 HA ILE 25 HA ILE 25 41.698 -4.071 3.603 207 HB ILE 25 HB ILE 25 40.719 -1.675 2.036 208 HG12 ILE 25 1HG1 ILE 25 39.206 -3.570 1.742 209 HG13 ILE 25 2HG1 ILE 25 40.161 -3.337 0.284 210 HG21 ILE 25 1HG2 ILE 25 43.047 -3.567 1.725 211 HG22 ILE 25 2HG2 ILE 25 43.058 -1.804 1.731 212 HG23 ILE 25 3HG2 ILE 25 42.395 -2.676 0.350 213 HD11 ILE 25 1HD1 ILE 25 40.024 -5.645 2.068 214 HD12 ILE 25 2HD1 ILE 25 41.688 -5.135 1.794 215 HD13 ILE 25 3HD1 ILE 25 40.652 -5.537 0.426 216 H LYS 26 H LYS 26 40.623 -0.792 4.450 217 HA LYS 26 HA LYS 26 43.157 0.401 4.613 218 HB2 LYS 26 1HB LYS 26 40.602 1.028 6.109 219 HB3 LYS 26 2HB LYS 26 42.030 2.064 6.104 220 HG2 LYS 26 1HG LYS 26 41.893 2.340 3.697 221 HG3 LYS 26 2HG LYS 26 40.574 1.175 3.600 222 HD2 LYS 26 1HD LYS 26 39.592 3.374 3.522 223 HD3 LYS 26 2HD LYS 26 39.234 2.694 5.109 224 HE2 LYS 26 1HE LYS 26 40.005 5.050 5.263 225 HE3 LYS 26 2HE LYS 26 41.095 3.944 6.097 226 HZ1 LYS 26 1HZ LYS 26 41.730 4.327 3.316 227 HZ2 LYS 26 2HZ LYS 26 42.742 4.386 4.681 228 HZ3 LYS 26 3HZ LYS 26 41.836 5.752 4.232 229 H ILE 27 H ILE 27 41.266 -1.335 7.049 230 HA ILE 27 HA ILE 27 43.063 -0.860 9.204 231 HB ILE 27 HB ILE 27 41.127 -3.158 8.849 232 HG12 ILE 27 1HG1 ILE 27 39.966 -1.020 8.613 233 HG13 ILE 27 2HG1 ILE 27 39.567 -1.748 10.161 234 HG21 ILE 27 1HG2 ILE 27 41.127 -3.102 11.361 235 HG22 ILE 27 2HG2 ILE 27 42.466 -1.957 11.286 236 HG23 ILE 27 3HG2 ILE 27 42.667 -3.593 10.659 237 HD11 ILE 27 1HD1 ILE 27 40.125 0.236 11.078 238 HD12 ILE 27 2HD1 ILE 27 40.876 0.797 9.588 239 HD13 ILE 27 3HD1 ILE 27 41.805 -0.166 10.734 240 H LEU 28 H LEU 28 42.675 -3.640 7.009 241 HA LEU 28 HA LEU 28 44.583 -5.311 8.197 242 HB2 LEU 28 1HB LEU 28 42.887 -6.025 6.526 243 HB3 LEU 28 2HB LEU 28 43.817 -5.203 5.273 244 HG LEU 28 HG LEU 28 45.801 -6.622 5.940 245 HD11 LEU 28 1HD1 LEU 28 45.062 -8.783 7.149 246 HD12 LEU 28 2HD1 LEU 28 43.654 -7.855 7.667 247 HD13 LEU 28 3HD1 LEU 28 45.272 -7.335 8.135 248 HD21 LEU 28 1HD2 LEU 28 44.660 -8.790 5.000 249 HD22 LEU 28 2HD2 LEU 28 44.749 -7.356 3.979 250 HD23 LEU 28 3HD2 LEU 28 43.248 -7.750 4.815 251 H ALA 29 H ALA 29 44.961 -2.714 5.864 252 HA ALA 29 HA ALA 29 47.340 -3.218 4.655 253 HB1 ALA 29 1HB ALA 29 46.148 -1.243 4.082 254 HB2 ALA 29 2HB ALA 29 47.710 -0.711 4.706 255 HB3 ALA 29 3HB ALA 29 46.272 -0.608 5.723 256 H ALA 30 H ALA 30 46.938 -2.351 8.039 257 HA ALA 30 HA ALA 30 49.589 -3.216 8.645 258 HB1 ALA 30 1HB ALA 30 50.015 -0.936 7.662 259 HB2 ALA 30 2HB ALA 30 50.593 -1.145 9.315 260 HB3 ALA 30 3HB ALA 30 49.101 -0.257 9.008 261 H SER 31 H SER 31 46.751 -1.369 9.675 262 HA SER 31 HA SER 31 47.235 -1.256 12.413 263 HB2 SER 31 1HB SER 31 45.371 -0.103 11.211 264 HB3 SER 31 2HB SER 31 44.541 -1.651 11.097 265 HG SER 31 HG SER 31 43.789 -0.806 12.951 266 H ALA 32 H ALA 32 45.786 -3.873 10.506 267 HA ALA 32 HA ALA 32 44.885 -5.418 12.693 268 HB1 ALA 32 1HB ALA 32 45.730 -6.384 9.953 269 HB2 ALA 32 2HB ALA 32 44.137 -5.738 10.347 270 HB3 ALA 32 3HB ALA 32 44.689 -7.238 11.092 271 H LEU 33 H LEU 33 47.902 -5.586 10.791 272 HA LEU 33 HA LEU 33 48.920 -7.898 12.036 273 HB2 LEU 33 1HB LEU 33 50.453 -5.608 10.782 274 HB3 LEU 33 2HB LEU 33 51.083 -7.223 11.102 275 HG LEU 33 HG LEU 33 48.715 -6.632 9.302 276 HD11 LEU 33 1HD1 LEU 33 51.617 -7.253 8.678 277 HD12 LEU 33 2HD1 LEU 33 50.743 -5.773 8.279 278 HD13 LEU 33 3HD1 LEU 33 50.320 -7.290 7.482 279 HD21 LEU 33 1HD2 LEU 33 49.338 -9.047 8.571 280 HD22 LEU 33 2HD2 LEU 33 48.473 -8.847 10.095 281 HD23 LEU 33 3HD2 LEU 33 50.213 -9.127 10.100 282 H TRP 34 H TRP 34 49.240 -4.469 12.860 283 HA TRP 34 HA TRP 34 51.240 -4.816 14.839 284 HB2 TRP 34 1HB TRP 34 49.209 -2.640 14.381 285 HB3 TRP 34 2HB TRP 34 50.421 -2.564 15.645 286 HD1 TRP 34 HD1 TRP 34 49.844 -1.609 12.169 287 HE1 TRP 34 HE1 TRP 34 52.046 -0.941 11.010 288 HE3 TRP 34 HE3 TRP 34 53.204 -3.401 15.569 289 HZ2 TRP 34 HZ2 TRP 34 54.868 -1.143 11.465 290 HZ3 TRP 34 HZ3 TRP 34 55.637 -3.151 15.184 291 HH2 TRP 34 HH2 TRP 34 56.474 -2.027 13.140 292 H ALA 35 H ALA 35 47.692 -4.584 15.081 293 HA ALA 35 HA ALA 35 47.601 -4.629 17.907 294 HB1 ALA 35 1HB ALA 35 45.762 -3.953 16.247 295 HB2 ALA 35 2HB ALA 35 45.267 -4.850 17.683 296 HB3 ALA 35 3HB ALA 35 45.408 -5.678 16.132 297 H ALA 36 H ALA 36 47.287 -7.227 15.500 298 HA ALA 36 HA ALA 36 46.666 -9.278 17.343 299 HB1 ALA 36 1HB ALA 36 47.739 -9.255 14.534 300 HB2 ALA 36 2HB ALA 36 46.145 -9.748 15.106 301 HB3 ALA 36 3HB ALA 36 47.551 -10.765 15.425 302 H ALA 37 H ALA 37 49.742 -8.017 16.148 303 HA ALA 37 HA ALA 37 51.320 -10.186 17.145 304 HB1 ALA 37 1HB ALA 37 52.421 -7.434 16.679 305 HB2 ALA 37 2HB ALA 37 51.878 -8.410 15.313 306 HB3 ALA 37 3HB ALA 37 53.165 -9.001 16.363 307 H TRP 38 H TRP 38 50.996 -6.797 18.243 308 HA TRP 38 HA TRP 38 52.570 -7.104 20.552 309 HB2 TRP 38 1HB TRP 38 51.838 -4.947 19.450 310 HB3 TRP 38 2HB TRP 38 50.285 -5.166 20.236 311 HD1 TRP 38 HD1 TRP 38 50.069 -4.362 22.663 312 HE1 TRP 38 HE1 TRP 38 51.697 -3.360 24.392 313 HE3 TRP 38 HE3 TRP 38 54.497 -5.094 20.229 314 HZ2 TRP 38 HZ2 TRP 38 54.512 -2.926 24.702 315 HZ3 TRP 38 HZ3 TRP 38 56.631 -4.380 21.259 316 HH2 TRP 38 HH2 TRP 38 56.647 -3.300 23.489 317 H HIS 39 H HIS 39 49.083 -7.476 20.052 318 HA HIS 39 HA HIS 39 48.830 -8.432 22.848 319 HB2 HIS 39 1HB HIS 39 46.749 -7.246 21.010 320 HB3 HIS 39 2HB HIS 39 46.431 -7.879 22.613 321 HD1 HIS 39 HD1 HIS 39 47.961 -6.597 24.567 322 HD2 HIS 39 HD2 HIS 39 47.250 -4.550 21.005 323 HE1 HIS 39 HE1 HIS 39 48.375 -4.147 25.054 324 H GLY 40 H GLY 40 48.104 -10.450 23.212 325 HA2 GLY 40 1HA GLY 40 47.782 -12.223 20.932 326 HA3 GLY 40 2HA GLY 40 47.867 -12.697 22.620 327 H GLN 41 H GLN 41 45.591 -10.293 22.579 328 HA GLN 41 HA GLN 41 43.393 -12.248 22.230 329 HB2 GLN 41 1HB GLN 41 43.435 -9.723 23.901 330 HB3 GLN 41 2HB GLN 41 42.126 -10.901 23.816 331 HG2 GLN 41 1HG GLN 41 44.929 -11.431 24.846 332 HG3 GLN 41 2HG GLN 41 43.482 -11.263 25.834 333 HE21 GLN 41 1HE2 GLN 41 45.472 -13.622 24.895 334 HE22 GLN 41 2HE2 GLN 41 44.375 -14.892 24.639 335 H LYS 42 H LYS 42 41.558 -11.651 21.092 336 HA LYS 42 HA LYS 42 41.939 -9.734 18.999 337 HB2 LYS 42 1HB LYS 42 39.476 -11.283 19.838 338 HB3 LYS 42 2HB LYS 42 39.632 -10.354 18.346 339 HG2 LYS 42 1HG LYS 42 41.529 -11.763 17.654 340 HG3 LYS 42 2HG LYS 42 41.392 -12.690 19.149 341 HD2 LYS 42 1HD LYS 42 39.378 -13.683 18.510 342 HD3 LYS 42 2HD LYS 42 38.996 -12.401 17.358 343 HE2 LYS 42 1HE LYS 42 40.844 -13.162 15.903 344 HE3 LYS 42 2HE LYS 42 41.205 -14.456 17.045 345 HZ1 LYS 42 1HZ LYS 42 39.010 -15.359 16.696 346 HZ2 LYS 42 2HZ LYS 42 39.811 -15.210 15.206 347 HZ3 LYS 42 3HZ LYS 42 38.612 -14.089 15.644 348 HA PRO 43 HA PRO 43 40.050 -6.322 21.108 349 HB2 PRO 43 1HB PRO 43 39.540 -4.637 19.059 350 HB3 PRO 43 2HB PRO 43 41.196 -5.041 19.551 351 HG2 PRO 43 1HG PRO 43 39.654 -5.947 17.208 352 HG3 PRO 43 2HG PRO 43 41.399 -5.727 17.402 353 HD2 PRO 43 1HD PRO 43 39.987 -8.182 17.536 354 HD3 PRO 43 2HD PRO 43 41.691 -7.912 17.957 355 H GLY 44 H GLY 44 38.092 -6.781 22.028 356 HA2 GLY 44 1HA GLY 44 35.790 -6.478 22.251 357 HA3 GLY 44 2HA GLY 44 35.694 -6.111 20.531 358 H THR 45 H THR 45 33.795 -7.503 20.540 359 HA THR 45 HA THR 45 34.542 -10.341 20.209 360 HB THR 45 HB THR 45 33.412 -10.070 22.382 361 HG1 THR 45 HG1 THR 45 32.340 -11.839 22.020 362 HG21 THR 45 1HG2 THR 45 32.074 -8.048 21.702 363 HG22 THR 45 2HG2 THR 45 31.135 -9.287 22.535 364 HG23 THR 45 3HG2 THR 45 31.020 -9.123 20.783 365 H HIS 46 H HIS 46 33.147 -11.537 18.776 366 HA HIS 46 HA HIS 46 32.422 -10.013 16.461 367 HB2 HIS 46 1HB HIS 46 31.993 -12.923 17.143 368 HB3 HIS 46 2HB HIS 46 31.681 -12.209 15.572 369 HD1 HIS 46 HD1 HIS 46 34.450 -13.297 17.847 370 HD2 HIS 46 HD2 HIS 46 34.024 -11.639 14.045 371 HE1 HIS 46 HE1 HIS 46 36.717 -13.466 16.735 Start of MODEL 3 1 H ARG 1 3H ARG 1 18.609 20.719 -3.561 2 HA ARG 1 HA ARG 1 19.397 22.457 -5.610 3 HB2 ARG 1 1HB ARG 1 21.836 22.365 -5.342 4 HB3 ARG 1 2HB ARG 1 21.097 23.255 -4.013 5 HG2 ARG 1 1HG ARG 1 21.171 21.145 -2.645 6 HG3 ARG 1 2HG ARG 1 22.077 20.387 -3.955 7 HD2 ARG 1 1HD ARG 1 22.921 22.854 -2.412 8 HD3 ARG 1 2HD ARG 1 23.614 21.243 -2.250 9 HE ARG 1 HE ARG 1 24.047 23.123 -4.435 10 HH11 ARG 1 1HH1 ARG 1 24.423 19.815 -3.321 11 HH12 ARG 1 2HH1 ARG 1 25.662 19.461 -4.479 12 HH21 ARG 1 1HH2 ARG 1 25.646 22.608 -5.902 13 HH22 ARG 1 2HH2 ARG 1 26.345 21.024 -5.922 14 H SER 2 H SER 2 19.987 19.493 -3.757 15 HA SER 2 HA SER 2 21.049 17.907 -5.804 16 HB2 SER 2 1HB SER 2 20.394 16.006 -4.456 17 HB3 SER 2 2HB SER 2 20.966 17.291 -3.396 18 HG SER 2 HG SER 2 19.087 17.000 -2.475 19 H LEU 3 H LEU 3 17.715 18.849 -5.182 20 HA LEU 3 HA LEU 3 16.406 16.886 -6.718 21 HB2 LEU 3 1HB LEU 3 15.616 19.778 -6.286 22 HB3 LEU 3 2HB LEU 3 14.548 18.485 -6.831 23 HG LEU 3 HG LEU 3 16.035 18.480 -4.188 24 HD11 LEU 3 1HD1 LEU 3 14.373 20.190 -4.042 25 HD12 LEU 3 2HD1 LEU 3 13.655 18.765 -3.292 26 HD13 LEU 3 3HD1 LEU 3 13.198 19.222 -4.933 27 HD21 LEU 3 1HD2 LEU 3 13.985 16.652 -5.464 28 HD22 LEU 3 2HD2 LEU 3 14.318 16.639 -3.732 29 HD23 LEU 3 3HD2 LEU 3 15.593 16.228 -4.879 30 H LEU 4 H LEU 4 17.919 19.949 -7.643 31 HA LEU 4 HA LEU 4 16.999 20.090 -10.293 32 HB2 LEU 4 1HB LEU 4 18.221 21.881 -9.021 33 HB3 LEU 4 2HB LEU 4 19.711 20.980 -9.289 34 HG LEU 4 HG LEU 4 17.981 21.585 -11.665 35 HD11 LEU 4 1HD1 LEU 4 18.250 23.707 -10.251 36 HD12 LEU 4 2HD1 LEU 4 18.817 23.800 -11.918 37 HD13 LEU 4 3HD1 LEU 4 19.974 23.595 -10.603 38 HD21 LEU 4 1HD2 LEU 4 20.879 21.086 -11.053 39 HD22 LEU 4 2HD2 LEU 4 20.459 21.981 -12.515 40 HD23 LEU 4 3HD2 LEU 4 19.857 20.342 -12.282 41 H GLU 5 H GLU 5 19.747 18.375 -8.869 42 HA GLU 5 HA GLU 5 21.011 17.571 -11.247 43 HB2 GLU 5 1HB GLU 5 20.890 16.214 -8.547 44 HB3 GLU 5 2HB GLU 5 21.991 15.757 -9.848 45 HG2 GLU 5 1HG GLU 5 21.854 18.502 -8.567 46 HG3 GLU 5 2HG GLU 5 23.073 17.280 -8.214 47 H GLY 6 H GLY 6 18.243 16.219 -9.528 48 HA2 GLY 6 1HA GLY 6 16.602 14.804 -10.389 49 HA3 GLY 6 2HA GLY 6 17.569 14.610 -11.848 50 H GLU 7 H GLU 7 18.550 14.069 -8.487 51 HA GLU 7 HA GLU 7 19.735 11.543 -9.125 52 HB2 GLU 7 1HB GLU 7 20.567 13.085 -7.339 53 HB3 GLU 7 2HB GLU 7 19.133 12.689 -6.391 54 HG2 GLU 7 1HG GLU 7 19.766 10.284 -6.501 55 HG3 GLU 7 2HG GLU 7 21.235 10.731 -7.355 56 H ILE 8 H ILE 8 19.056 9.489 -8.624 57 HA ILE 8 HA ILE 8 16.180 9.211 -8.062 58 HB ILE 8 HB ILE 8 16.467 6.915 -8.950 59 HG12 ILE 8 1HG1 ILE 8 19.304 7.787 -9.570 60 HG13 ILE 8 2HG1 ILE 8 18.880 6.719 -8.231 61 HG21 ILE 8 1HG2 ILE 8 17.702 8.965 -10.805 62 HG22 ILE 8 2HG2 ILE 8 15.981 8.921 -10.421 63 HG23 ILE 8 3HG2 ILE 8 16.733 7.559 -11.252 64 HD11 ILE 8 1HD1 ILE 8 18.677 6.206 -11.187 65 HD12 ILE 8 2HD1 ILE 8 17.646 5.322 -10.062 66 HD13 ILE 8 3HD1 ILE 8 19.400 5.197 -9.935 67 HA PRO 9 HA PRO 9 16.826 7.564 -4.009 68 HB2 PRO 9 1HB PRO 9 15.268 5.237 -4.069 69 HB3 PRO 9 2HB PRO 9 14.681 6.865 -3.688 70 HG2 PRO 9 1HG PRO 9 14.519 5.348 -6.228 71 HG3 PRO 9 2HG PRO 9 13.356 6.471 -5.499 72 HD2 PRO 9 1HD PRO 9 14.909 7.212 -7.578 73 HD3 PRO 9 2HD PRO 9 14.460 8.358 -6.295 74 H PHE 10 H PHE 10 19.028 7.042 -4.247 75 HA PHE 10 HA PHE 10 20.046 4.771 -5.550 76 HB2 PHE 10 1HB PHE 10 22.071 5.155 -4.187 77 HB3 PHE 10 2HB PHE 10 21.479 6.617 -4.951 78 HD1 PHE 10 HD1 PHE 10 20.483 8.419 -3.621 79 HD2 PHE 10 HD2 PHE 10 21.977 4.839 -1.776 80 HE1 PHE 10 HE1 PHE 10 20.423 9.534 -1.407 81 HE2 PHE 10 HE2 PHE 10 21.917 5.955 0.437 82 HZ PHE 10 HZ PHE 10 21.140 8.303 0.622 83 HA PRO 11 HA PRO 11 19.246 1.636 -2.538 84 HB2 PRO 11 1HB PRO 11 21.387 -0.084 -3.026 85 HB3 PRO 11 2HB PRO 11 19.895 0.013 -3.968 86 HG2 PRO 11 1HG PRO 11 22.525 0.730 -4.767 87 HG3 PRO 11 2HG PRO 11 21.026 0.828 -5.700 88 HD2 PRO 11 1HD PRO 11 22.484 2.978 -4.298 89 HD3 PRO 11 2HD PRO 11 21.292 3.090 -5.613 90 HA PRO 12 HA PRO 12 21.939 3.306 0.806 91 HB2 PRO 12 1HB PRO 12 20.646 1.921 2.880 92 HB3 PRO 12 2HB PRO 12 20.264 3.557 2.318 93 HG2 PRO 12 1HG PRO 12 18.941 0.988 1.679 94 HG3 PRO 12 2HG PRO 12 18.245 2.606 1.881 95 HD2 PRO 12 1HD PRO 12 18.570 1.518 -0.561 96 HD3 PRO 12 2HD PRO 12 18.778 3.263 -0.288 97 H THR 13 H THR 13 20.854 -0.088 1.247 98 HA THR 13 HA THR 13 23.125 -0.944 2.626 99 HB THR 13 HB THR 13 22.415 -3.219 2.061 100 HG1 THR 13 HG1 THR 13 20.910 -1.805 0.148 101 HG21 THR 13 1HG2 THR 13 21.189 -1.992 3.804 102 HG22 THR 13 2HG2 THR 13 20.100 -3.054 2.913 103 HG23 THR 13 3HG2 THR 13 20.108 -1.322 2.582 104 H SER 14 H SER 14 22.943 -0.126 -0.702 105 HA SER 14 HA SER 14 24.822 -2.167 -1.606 106 HB2 SER 14 1HB SER 14 22.997 -1.432 -3.110 107 HB3 SER 14 2HB SER 14 23.643 0.205 -3.074 108 HG SER 14 HG SER 14 24.923 -0.433 -4.611 109 H ILE 15 H ILE 15 24.670 1.373 -1.448 110 HA ILE 15 HA ILE 15 27.431 1.807 -1.921 111 HB ILE 15 HB ILE 15 27.060 4.058 -1.049 112 HG12 ILE 15 1HG1 ILE 15 24.300 3.069 -0.268 113 HG13 ILE 15 2HG1 ILE 15 25.606 3.378 0.876 114 HG21 ILE 15 1HG2 ILE 15 24.618 3.189 -2.610 115 HG22 ILE 15 2HG2 ILE 15 26.222 3.312 -3.333 116 HG23 ILE 15 3HG2 ILE 15 25.440 4.748 -2.671 117 HD11 ILE 15 1HD1 ILE 15 24.317 5.406 -0.970 118 HD12 ILE 15 2HD1 ILE 15 25.710 5.734 0.061 119 HD13 ILE 15 3HD1 ILE 15 24.154 5.330 0.784 120 H LEU 16 H LEU 16 25.580 1.082 1.000 121 HA LEU 16 HA LEU 16 27.688 1.522 2.862 122 HB2 LEU 16 1HB LEU 16 25.295 -0.326 2.958 123 HB3 LEU 16 2HB LEU 16 26.381 -0.047 4.319 124 HG LEU 16 HG LEU 16 24.934 2.185 2.873 125 HD11 LEU 16 1HD1 LEU 16 23.257 0.748 3.895 126 HD12 LEU 16 2HD1 LEU 16 23.444 2.190 4.892 127 HD13 LEU 16 3HD1 LEU 16 24.186 0.671 5.392 128 HD21 LEU 16 1HD2 LEU 16 25.459 3.275 5.164 129 HD22 LEU 16 2HD2 LEU 16 26.797 3.066 4.034 130 HD23 LEU 16 3HD2 LEU 16 26.596 1.945 5.380 131 H LEU 17 H LEU 17 26.805 -1.224 0.817 132 HA LEU 17 HA LEU 17 28.452 -3.161 2.052 133 HB2 LEU 17 1HB LEU 17 26.595 -3.317 0.150 134 HB3 LEU 17 2HB LEU 17 27.993 -3.202 -0.907 135 HG LEU 17 HG LEU 17 27.482 -5.538 -0.533 136 HD11 LEU 17 1HD1 LEU 17 29.819 -5.155 1.300 137 HD12 LEU 17 2HD1 LEU 17 29.943 -4.608 -0.372 138 HD13 LEU 17 3HD1 LEU 17 29.607 -6.303 -0.022 139 HD21 LEU 17 1HD2 LEU 17 26.335 -5.001 1.720 140 HD22 LEU 17 2HD2 LEU 17 27.943 -5.177 2.423 141 HD23 LEU 17 3HD2 LEU 17 27.195 -6.535 1.581 142 H LEU 18 H LEU 18 29.029 -0.986 -0.694 143 HA LEU 18 HA LEU 18 31.671 -1.800 -1.243 144 HB2 LEU 18 1HB LEU 18 30.163 0.758 -1.738 145 HB3 LEU 18 2HB LEU 18 31.869 0.609 -2.160 146 HG LEU 18 HG LEU 18 31.145 -1.586 -3.356 147 HD11 LEU 18 1HD1 LEU 18 28.899 -1.799 -2.546 148 HD12 LEU 18 2HD1 LEU 18 28.772 -1.341 -4.244 149 HD13 LEU 18 3HD1 LEU 18 28.517 -0.134 -2.984 150 HD21 LEU 18 1HD2 LEU 18 31.872 0.614 -4.406 151 HD22 LEU 18 2HD2 LEU 18 30.163 1.030 -4.525 152 HD23 LEU 18 3HD2 LEU 18 30.794 -0.367 -5.398 153 H LEU 19 H LEU 19 30.366 0.690 0.923 154 HA LEU 19 HA LEU 19 32.808 1.774 1.794 155 HB2 LEU 19 1HB LEU 19 30.559 2.735 2.277 156 HB3 LEU 19 2HB LEU 19 30.282 1.427 3.428 157 HG LEU 19 HG LEU 19 32.420 2.152 4.596 158 HD11 LEU 19 1HD1 LEU 19 33.587 3.467 3.053 159 HD12 LEU 19 2HD1 LEU 19 32.849 4.693 4.084 160 HD13 LEU 19 3HD1 LEU 19 32.131 4.307 2.519 161 HD21 LEU 19 1HD2 LEU 19 29.973 3.911 4.402 162 HD22 LEU 19 2HD2 LEU 19 31.277 4.278 5.532 163 HD23 LEU 19 3HD2 LEU 19 30.395 2.757 5.668 164 H ALA 20 H ALA 20 31.012 -1.077 2.876 165 HA ALA 20 HA ALA 20 32.498 -1.559 5.233 166 HB1 ALA 20 1HB ALA 20 30.312 -2.610 4.757 167 HB2 ALA 20 2HB ALA 20 31.545 -3.808 5.150 168 HB3 ALA 20 3HB ALA 20 31.061 -3.558 3.473 169 H CYS 21 H CYS 21 32.864 -2.810 1.922 170 HA CYS 21 HA CYS 21 34.916 -4.656 2.512 171 HB2 CYS 21 1HB CYS 21 34.241 -3.219 -0.064 172 HB3 CYS 21 2HB CYS 21 35.385 -4.556 0.059 173 HG CYS 21 HG CYS 21 33.453 -6.145 0.691 174 H ILE 22 H ILE 22 35.066 -1.339 1.222 175 HA ILE 22 HA ILE 22 37.877 -1.291 0.961 176 HB ILE 22 HB ILE 22 36.376 0.286 -0.192 177 HG12 ILE 22 1HG1 ILE 22 38.281 1.814 1.586 178 HG13 ILE 22 2HG1 ILE 22 38.850 0.725 0.320 179 HG21 ILE 22 1HG2 ILE 22 35.514 2.245 1.046 180 HG22 ILE 22 2HG2 ILE 22 36.074 1.531 2.556 181 HG23 ILE 22 3HG2 ILE 22 34.801 0.741 1.623 182 HD11 ILE 22 1HD1 ILE 22 38.757 2.763 -0.818 183 HD12 ILE 22 2HD1 ILE 22 37.319 3.296 0.052 184 HD13 ILE 22 3HD1 ILE 22 37.184 2.065 -1.203 185 H PHE 23 H PHE 23 35.777 -0.500 3.693 186 HA PHE 23 HA PHE 23 37.696 0.812 5.282 187 HB2 PHE 23 1HB PHE 23 35.219 0.744 5.671 188 HB3 PHE 23 2HB PHE 23 35.405 -0.907 6.231 189 HD1 PHE 23 HD1 PHE 23 36.467 -1.393 8.387 190 HD2 PHE 23 HD2 PHE 23 35.998 2.639 6.981 191 HE1 PHE 23 HE1 PHE 23 36.961 -0.541 10.663 192 HE2 PHE 23 HE2 PHE 23 36.493 3.491 9.256 193 HZ PHE 23 HZ PHE 23 36.975 1.901 11.097 194 H LEU 24 H LEU 24 36.727 -2.612 5.131 195 HA LEU 24 HA LEU 24 38.377 -3.538 7.210 196 HB2 LEU 24 1HB LEU 24 37.471 -4.996 4.714 197 HB3 LEU 24 2HB LEU 24 38.135 -5.760 6.158 198 HG LEU 24 HG LEU 24 35.652 -4.022 6.145 199 HD11 LEU 24 1HD1 LEU 24 34.468 -6.212 6.491 200 HD12 LEU 24 2HD1 LEU 24 35.985 -7.035 6.127 201 HD13 LEU 24 3HD1 LEU 24 35.197 -6.052 4.894 202 HD21 LEU 24 1HD2 LEU 24 37.101 -5.670 8.218 203 HD22 LEU 24 2HD2 LEU 24 35.384 -5.299 8.386 204 HD23 LEU 24 3HD2 LEU 24 36.567 -3.993 8.326 205 H ILE 25 H ILE 25 39.003 -3.167 3.742 206 HA ILE 25 HA ILE 25 41.553 -4.353 3.683 207 HB ILE 25 HB ILE 25 40.503 -2.061 1.998 208 HG12 ILE 25 1HG1 ILE 25 40.525 -5.036 1.422 209 HG13 ILE 25 2HG1 ILE 25 39.119 -4.179 2.049 210 HG21 ILE 25 1HG2 ILE 25 42.163 -2.804 0.352 211 HG22 ILE 25 2HG2 ILE 25 42.706 -4.076 1.447 212 HG23 ILE 25 3HG2 ILE 25 42.970 -2.383 1.863 213 HD11 ILE 25 1HD1 ILE 25 40.505 -3.770 -0.607 214 HD12 ILE 25 2HD1 ILE 25 39.363 -2.599 0.055 215 HD13 ILE 25 3HD1 ILE 25 38.829 -4.238 -0.319 216 H LYS 26 H LYS 26 40.553 -1.016 4.352 217 HA LYS 26 HA LYS 26 43.099 0.148 4.485 218 HB2 LYS 26 1HB LYS 26 40.950 1.405 4.456 219 HB3 LYS 26 2HB LYS 26 40.665 0.898 6.121 220 HG2 LYS 26 1HG LYS 26 42.704 2.026 6.853 221 HG3 LYS 26 2HG LYS 26 43.088 2.466 5.188 222 HD2 LYS 26 1HD LYS 26 42.066 4.388 6.237 223 HD3 LYS 26 2HD LYS 26 40.900 3.714 5.096 224 HE2 LYS 26 1HE LYS 26 39.598 2.748 6.809 225 HE3 LYS 26 2HE LYS 26 40.903 2.867 7.989 226 HZ1 LYS 26 1HZ LYS 26 38.959 4.837 7.192 227 HZ2 LYS 26 2HZ LYS 26 40.549 5.431 7.245 228 HZ3 LYS 26 3HZ LYS 26 39.860 4.720 8.625 229 H ILE 27 H ILE 27 41.205 -1.541 6.949 230 HA ILE 27 HA ILE 27 42.860 -0.969 9.163 231 HB ILE 27 HB ILE 27 41.202 -3.460 8.678 232 HG12 ILE 27 1HG1 ILE 27 40.443 -0.898 10.110 233 HG13 ILE 27 2HG1 ILE 27 39.965 -1.273 8.454 234 HG21 ILE 27 1HG2 ILE 27 42.814 -3.627 10.564 235 HG22 ILE 27 2HG2 ILE 27 41.142 -3.603 11.128 236 HG23 ILE 27 3HG2 ILE 27 42.137 -2.151 11.252 237 HD11 ILE 27 1HD1 ILE 27 39.106 -3.527 9.529 238 HD12 ILE 27 2HD1 ILE 27 38.122 -2.069 9.635 239 HD13 ILE 27 3HD1 ILE 27 39.098 -2.575 11.014 240 H LEU 28 H LEU 28 42.857 -3.706 6.899 241 HA LEU 28 HA LEU 28 44.893 -5.195 8.147 242 HB2 LEU 28 1HB LEU 28 44.169 -5.098 5.208 243 HB3 LEU 28 2HB LEU 28 45.092 -6.374 6.002 244 HG LEU 28 HG LEU 28 42.254 -5.594 6.738 245 HD11 LEU 28 1HD1 LEU 28 43.246 -8.045 5.253 246 HD12 LEU 28 2HD1 LEU 28 42.501 -6.652 4.469 247 HD13 LEU 28 3HD1 LEU 28 41.569 -7.627 5.606 248 HD21 LEU 28 1HD2 LEU 28 42.440 -7.907 7.874 249 HD22 LEU 28 2HD2 LEU 28 43.282 -6.565 8.647 250 HD23 LEU 28 3HD2 LEU 28 44.182 -7.726 7.673 251 H ALA 29 H ALA 29 45.041 -2.746 5.596 252 HA ALA 29 HA ALA 29 47.821 -2.938 5.109 253 HB1 ALA 29 1HB ALA 29 46.010 -0.540 4.758 254 HB2 ALA 29 2HB ALA 29 46.235 -1.826 3.573 255 HB3 ALA 29 3HB ALA 29 47.585 -0.775 4.001 256 H ALA 30 H ALA 30 45.942 -1.041 7.422 257 HA ALA 30 HA ALA 30 46.561 0.284 9.187 258 HB1 ALA 30 1HB ALA 30 48.571 -0.367 10.406 259 HB2 ALA 30 2HB ALA 30 49.122 -1.312 9.023 260 HB3 ALA 30 3HB ALA 30 47.668 -1.794 9.897 261 H SER 31 H SER 31 47.675 0.893 6.245 262 HA SER 31 HA SER 31 50.054 2.340 6.498 263 HB2 SER 31 1HB SER 31 47.726 2.954 4.663 264 HB3 SER 31 2HB SER 31 49.392 3.478 4.447 265 HG SER 31 HG SER 31 49.990 1.396 4.077 266 H ALA 32 H ALA 32 46.700 3.316 7.093 267 HA ALA 32 HA ALA 32 47.160 6.081 7.386 268 HB1 ALA 32 1HB ALA 32 44.981 6.207 8.188 269 HB2 ALA 32 2HB ALA 32 45.086 4.651 9.012 270 HB3 ALA 32 3HB ALA 32 44.931 4.711 7.256 271 H LEU 33 H LEU 33 47.194 3.438 9.771 272 HA LEU 33 HA LEU 33 47.483 5.051 12.059 273 HB2 LEU 33 1HB LEU 33 48.112 2.186 11.417 274 HB3 LEU 33 2HB LEU 33 48.659 2.867 12.942 275 HG LEU 33 HG LEU 33 46.470 1.706 13.127 276 HD11 LEU 33 1HD1 LEU 33 45.993 4.645 13.550 277 HD12 LEU 33 2HD1 LEU 33 47.200 3.777 14.499 278 HD13 LEU 33 3HD1 LEU 33 45.508 3.285 14.563 279 HD21 LEU 33 1HD2 LEU 33 45.647 2.321 10.835 280 HD22 LEU 33 2HD2 LEU 33 45.391 3.965 11.419 281 HD23 LEU 33 3HD2 LEU 33 44.473 2.630 12.115 282 H TRP 34 H TRP 34 49.890 3.623 9.889 283 HA TRP 34 HA TRP 34 52.167 4.351 11.402 284 HB2 TRP 34 1HB TRP 34 51.813 3.824 8.455 285 HB3 TRP 34 2HB TRP 34 53.373 4.089 9.212 286 HD1 TRP 34 HD1 TRP 34 50.927 1.451 8.394 287 HE1 TRP 34 HE1 TRP 34 51.602 -0.781 9.490 288 HE3 TRP 34 HE3 TRP 34 54.529 3.106 11.613 289 HZ2 TRP 34 HZ2 TRP 34 53.431 -1.741 11.474 290 HZ3 TRP 34 HZ3 TRP 34 55.719 1.516 13.091 291 HH2 TRP 34 HH2 TRP 34 55.178 -0.901 13.028 292 H ALA 35 H ALA 35 50.504 5.990 8.721 293 HA ALA 35 HA ALA 35 52.347 8.093 8.413 294 HB1 ALA 35 1HB ALA 35 50.815 9.023 6.944 295 HB2 ALA 35 2HB ALA 35 49.426 8.504 7.900 296 HB3 ALA 35 3HB ALA 35 50.320 7.331 6.932 297 H ALA 36 H ALA 36 49.482 7.784 10.469 298 HA ALA 36 HA ALA 36 49.316 10.450 11.329 299 HB1 ALA 36 1HB ALA 36 48.609 7.988 12.936 300 HB2 ALA 36 2HB ALA 36 47.578 8.689 11.689 301 HB3 ALA 36 3HB ALA 36 47.959 9.614 13.142 302 H ALA 37 H ALA 37 51.316 7.775 12.468 303 HA ALA 37 HA ALA 37 52.149 8.951 14.904 304 HB1 ALA 37 1HB ALA 37 53.697 7.206 15.047 305 HB2 ALA 37 2HB ALA 37 53.906 7.118 13.298 306 HB3 ALA 37 3HB ALA 37 52.425 6.514 14.041 307 H TRP 38 H TRP 38 53.540 9.024 11.634 308 HA TRP 38 HA TRP 38 55.895 10.439 12.353 309 HB2 TRP 38 1HB TRP 38 55.555 9.119 10.252 310 HB3 TRP 38 2HB TRP 38 54.506 10.399 9.675 311 HD1 TRP 38 HD1 TRP 38 55.622 12.297 8.398 312 HE1 TRP 38 HE1 TRP 38 58.052 13.047 7.987 313 HE3 TRP 38 HE3 TRP 38 58.069 9.127 11.564 314 HZ2 TRP 38 HZ2 TRP 38 60.692 12.388 8.883 315 HZ3 TRP 38 HZ3 TRP 38 60.535 9.208 11.767 316 HH2 TRP 38 HH2 TRP 38 61.850 10.831 10.433 317 H HIS 39 H HIS 39 52.838 11.532 10.880 318 HA HIS 39 HA HIS 39 53.440 14.268 11.837 319 HB2 HIS 39 1HB HIS 39 52.252 13.412 9.201 320 HB3 HIS 39 2HB HIS 39 52.175 15.054 9.807 321 HD1 HIS 39 HD1 HIS 39 53.645 14.326 7.161 322 HD2 HIS 39 HD2 HIS 39 55.521 14.690 10.865 323 HE1 HIS 39 HE1 HIS 39 56.080 14.824 6.682 324 H GLY 40 H GLY 40 51.676 15.494 12.539 325 HA2 GLY 40 1HA GLY 40 49.436 13.939 13.524 326 HA3 GLY 40 2HA GLY 40 49.747 15.645 13.837 327 H GLN 41 H GLN 41 47.234 15.286 13.400 328 HA GLN 41 HA GLN 41 46.676 15.582 10.520 329 HB2 GLN 41 1HB GLN 41 45.381 13.892 11.818 330 HB3 GLN 41 2HB GLN 41 44.736 15.199 12.813 331 HG2 GLN 41 1HG GLN 41 43.758 16.258 10.828 332 HG3 GLN 41 2HG GLN 41 44.438 14.998 9.803 333 HE21 GLN 41 1HE2 GLN 41 41.717 15.278 9.647 334 HE22 GLN 41 2HE2 GLN 41 40.926 14.021 10.468 335 H LYS 42 H LYS 42 46.355 17.548 9.713 336 HA LYS 42 HA LYS 42 46.254 19.865 11.405 337 HB2 LYS 42 1HB LYS 42 45.928 19.536 8.414 338 HB3 LYS 42 2HB LYS 42 45.999 21.093 9.242 339 HG2 LYS 42 1HG LYS 42 48.161 19.003 9.550 340 HG3 LYS 42 2HG LYS 42 48.210 20.234 8.286 341 HD2 LYS 42 1HD LYS 42 47.939 21.974 10.106 342 HD3 LYS 42 2HD LYS 42 48.186 20.680 11.280 343 HE2 LYS 42 1HE LYS 42 50.153 21.120 9.041 344 HE3 LYS 42 2HE LYS 42 50.257 22.056 10.532 345 HZ1 LYS 42 1HZ LYS 42 51.036 19.375 10.052 346 HZ2 LYS 42 2HZ LYS 42 49.883 19.432 11.300 347 HZ3 LYS 42 3HZ LYS 42 51.314 20.341 11.419 348 HA PRO 43 HA PRO 43 41.825 20.088 11.543 349 HB2 PRO 43 1HB PRO 43 41.448 22.588 12.476 350 HB3 PRO 43 2HB PRO 43 42.226 21.333 13.462 351 HG2 PRO 43 1HG PRO 43 43.421 23.644 12.068 352 HG3 PRO 43 2HG PRO 43 43.932 22.824 13.553 353 HD2 PRO 43 1HD PRO 43 45.025 22.455 10.961 354 HD3 PRO 43 2HD PRO 43 45.366 21.484 12.408 355 H GLY 44 H GLY 44 40.302 20.337 10.008 356 HA2 GLY 44 1HA GLY 44 38.937 21.525 8.511 357 HA3 GLY 44 2HA GLY 44 40.139 22.810 8.464 358 H THR 45 H THR 45 39.074 22.069 6.116 359 HA THR 45 HA THR 45 41.256 20.557 4.803 360 HB THR 45 HB THR 45 38.341 20.544 3.988 361 HG1 THR 45 HG1 THR 45 39.871 18.445 5.108 362 HG21 THR 45 1HG2 THR 45 39.916 20.245 2.129 363 HG22 THR 45 2HG2 THR 45 39.092 18.727 2.484 364 HG23 THR 45 3HG2 THR 45 40.751 18.978 3.027 365 H HIS 46 H HIS 46 42.039 21.404 2.912 366 HA HIS 46 HA HIS 46 40.775 23.867 1.875 367 HB2 HIS 46 1HB HIS 46 43.712 23.444 2.440 368 HB3 HIS 46 2HB HIS 46 43.054 24.803 1.550 369 HD1 HIS 46 HD1 HIS 46 43.468 23.426 4.993 370 HD2 HIS 46 HD2 HIS 46 41.681 26.728 3.181 371 HE1 HIS 46 HE1 HIS 46 42.902 25.044 6.855 Start of MODEL 4 1 H ARG 1 3H ARG 1 29.456 13.979 -7.003 2 HA ARG 1 HA ARG 1 29.638 12.477 -4.480 3 HB2 ARG 1 1HB ARG 1 31.308 12.193 -6.326 4 HB3 ARG 1 2HB ARG 1 31.698 13.908 -6.180 5 HG2 ARG 1 1HG ARG 1 32.391 13.592 -3.860 6 HG3 ARG 1 2HG ARG 1 31.918 11.895 -3.925 7 HD2 ARG 1 1HD ARG 1 34.299 11.979 -4.251 8 HD3 ARG 1 2HD ARG 1 33.572 11.591 -5.806 9 HE ARG 1 HE ARG 1 34.889 14.093 -5.060 10 HH11 ARG 1 1HH1 ARG 1 32.963 12.399 -7.462 11 HH12 ARG 1 2HH1 ARG 1 33.401 13.498 -8.726 12 HH21 ARG 1 1HH2 ARG 1 35.410 15.472 -6.730 13 HH22 ARG 1 2HH2 ARG 1 34.766 15.214 -8.316 14 H SER 2 H SER 2 30.791 15.608 -5.759 15 HA SER 2 HA SER 2 31.148 16.818 -3.252 16 HB2 SER 2 1HB SER 2 31.437 18.861 -4.441 17 HB3 SER 2 2HB SER 2 32.042 17.596 -5.504 18 HG SER 2 HG SER 2 30.639 19.025 -6.601 19 H LEU 3 H LEU 3 29.907 18.336 -2.111 20 HA LEU 3 HA LEU 3 27.155 17.783 -1.904 21 HB2 LEU 3 1HB LEU 3 28.955 19.927 -0.825 22 HB3 LEU 3 2HB LEU 3 27.217 20.086 -0.625 23 HG LEU 3 HG LEU 3 28.324 19.022 1.327 24 HD11 LEU 3 1HD1 LEU 3 26.618 17.495 1.707 25 HD12 LEU 3 2HD1 LEU 3 26.646 16.894 0.049 26 HD13 LEU 3 3HD1 LEU 3 25.936 18.469 0.405 27 HD21 LEU 3 1HD2 LEU 3 30.092 17.824 0.002 28 HD22 LEU 3 2HD2 LEU 3 28.853 16.688 -0.530 29 HD23 LEU 3 3HD2 LEU 3 29.269 16.802 1.181 30 H LEU 4 H LEU 4 28.907 20.288 -3.671 31 HA LEU 4 HA LEU 4 26.744 21.981 -4.266 32 HB2 LEU 4 1HB LEU 4 29.187 21.402 -5.959 33 HB3 LEU 4 2HB LEU 4 28.130 22.806 -6.108 34 HG LEU 4 HG LEU 4 29.706 22.095 -3.616 35 HD11 LEU 4 1HD1 LEU 4 31.178 23.929 -4.225 36 HD12 LEU 4 2HD1 LEU 4 30.189 24.304 -5.636 37 HD13 LEU 4 3HD1 LEU 4 31.106 22.799 -5.578 38 HD21 LEU 4 1HD2 LEU 4 29.095 24.548 -3.108 39 HD22 LEU 4 2HD2 LEU 4 27.798 23.361 -2.965 40 HD23 LEU 4 3HD2 LEU 4 27.897 24.390 -4.393 41 H GLU 5 H GLU 5 27.890 19.032 -5.845 42 HA GLU 5 HA GLU 5 26.367 19.196 -8.200 43 HB2 GLU 5 1HB GLU 5 28.193 17.544 -7.763 44 HB3 GLU 5 2HB GLU 5 27.091 16.673 -6.695 45 HG2 GLU 5 1HG GLU 5 25.488 16.446 -8.586 46 HG3 GLU 5 2HG GLU 5 26.654 17.230 -9.641 47 H GLY 6 H GLY 6 25.535 18.004 -4.974 48 HA2 GLY 6 1HA GLY 6 23.446 17.804 -3.996 49 HA3 GLY 6 2HA GLY 6 22.728 18.390 -5.492 50 H GLU 7 H GLU 7 24.895 15.609 -5.254 51 HA GLU 7 HA GLU 7 22.694 13.894 -6.218 52 HB2 GLU 7 1HB GLU 7 24.791 14.052 -7.582 53 HB3 GLU 7 2HB GLU 7 25.668 13.333 -6.231 54 HG2 GLU 7 1HG GLU 7 24.137 11.371 -6.322 55 HG3 GLU 7 2HG GLU 7 23.353 12.075 -7.729 56 H ILE 8 H ILE 8 21.935 12.257 -5.011 57 HA ILE 8 HA ILE 8 23.266 11.716 -2.425 58 HB ILE 8 HB ILE 8 20.357 11.355 -3.178 59 HG12 ILE 8 1HG1 ILE 8 20.938 13.735 -3.088 60 HG13 ILE 8 2HG1 ILE 8 19.942 13.297 -1.706 61 HG21 ILE 8 1HG2 ILE 8 21.771 11.162 -0.508 62 HG22 ILE 8 2HG2 ILE 8 21.116 9.810 -1.432 63 HG23 ILE 8 3HG2 ILE 8 20.030 11.026 -0.758 64 HD11 ILE 8 1HD1 ILE 8 22.954 13.660 -1.714 65 HD12 ILE 8 2HD1 ILE 8 22.025 13.097 -0.325 66 HD13 ILE 8 3HD1 ILE 8 21.769 14.720 -0.957 67 HA PRO 9 HA PRO 9 23.407 7.528 -4.101 68 HB2 PRO 9 1HB PRO 9 24.537 6.227 -2.013 69 HB3 PRO 9 2HB PRO 9 25.449 7.366 -3.020 70 HG2 PRO 9 1HG PRO 9 24.457 7.671 -0.277 71 HG3 PRO 9 2HG PRO 9 25.802 8.480 -1.094 72 HD2 PRO 9 1HD PRO 9 23.172 9.512 -0.639 73 HD3 PRO 9 2HD PRO 9 24.505 10.289 -1.518 74 H PHE 10 H PHE 10 21.023 7.419 -4.079 75 HA PHE 10 HA PHE 10 19.416 6.790 -1.916 76 HB2 PHE 10 1HB PHE 10 19.228 6.467 -4.849 77 HB3 PHE 10 2HB PHE 10 18.121 5.489 -3.904 78 HD1 PHE 10 HD1 PHE 10 19.403 9.018 -4.025 79 HD2 PHE 10 HD2 PHE 10 16.048 6.404 -3.422 80 HE1 PHE 10 HE1 PHE 10 17.916 10.985 -3.766 81 HE2 PHE 10 HE2 PHE 10 14.562 8.372 -3.164 82 HZ PHE 10 HZ PHE 10 15.495 10.663 -3.336 83 HA PRO 11 HA PRO 11 19.992 1.968 -3.184 84 HB2 PRO 11 1HB PRO 11 22.911 2.426 -3.716 85 HB3 PRO 11 2HB PRO 11 21.839 1.155 -4.340 86 HG2 PRO 11 1HG PRO 11 22.482 3.261 -5.816 87 HG3 PRO 11 2HG PRO 11 20.861 2.546 -5.879 88 HD2 PRO 11 1HD PRO 11 21.708 5.130 -4.716 89 HD3 PRO 11 2HD PRO 11 20.103 4.611 -5.272 90 HA PRO 12 HA PRO 12 21.487 2.868 1.091 91 HB2 PRO 12 1HB PRO 12 20.084 0.876 2.382 92 HB3 PRO 12 2HB PRO 12 19.432 2.485 2.018 93 HG2 PRO 12 1HG PRO 12 18.999 -0.090 0.611 94 HG3 PRO 12 2HG PRO 12 17.874 1.247 0.905 95 HD2 PRO 12 1HD PRO 12 19.079 0.839 -1.509 96 HD3 PRO 12 2HD PRO 12 18.589 2.444 -0.928 97 H THR 13 H THR 13 20.868 -0.626 0.629 98 HA THR 13 HA THR 13 23.123 -1.434 2.101 99 HB THR 13 HB THR 13 22.690 -3.667 1.191 100 HG1 THR 13 HG1 THR 13 22.163 -3.411 -0.872 101 HG21 THR 13 1HG2 THR 13 21.252 -2.796 2.997 102 HG22 THR 13 2HG2 THR 13 20.346 -3.859 1.921 103 HG23 THR 13 3HG2 THR 13 20.159 -2.110 1.795 104 H SER 14 H SER 14 23.102 -0.096 -1.032 105 HA SER 14 HA SER 14 25.144 -1.857 -2.146 106 HB2 SER 14 1HB SER 14 24.043 0.709 -3.310 107 HB3 SER 14 2HB SER 14 24.932 -0.550 -4.157 108 HG SER 14 HG SER 14 23.208 -1.929 -3.862 109 H ILE 15 H ILE 15 24.789 1.581 -1.340 110 HA ILE 15 HA ILE 15 27.560 2.194 -1.518 111 HB ILE 15 HB ILE 15 25.796 3.922 -1.588 112 HG12 ILE 15 1HG1 ILE 15 27.567 4.365 0.819 113 HG13 ILE 15 2HG1 ILE 15 28.205 4.332 -0.826 114 HG21 ILE 15 1HG2 ILE 15 24.287 2.966 0.113 115 HG22 ILE 15 2HG2 ILE 15 24.707 4.633 0.503 116 HG23 ILE 15 3HG2 ILE 15 25.482 3.305 1.365 117 HD11 ILE 15 1HD1 ILE 15 26.853 6.202 -1.481 118 HD12 ILE 15 2HD1 ILE 15 27.606 6.641 0.053 119 HD13 ILE 15 3HD1 ILE 15 25.920 6.129 0.013 120 H LEU 16 H LEU 16 25.475 0.994 1.079 121 HA LEU 16 HA LEU 16 27.334 1.222 3.201 122 HB2 LEU 16 1HB LEU 16 24.916 0.691 3.483 123 HB3 LEU 16 2HB LEU 16 25.220 -0.910 2.811 124 HG LEU 16 HG LEU 16 26.958 -1.229 4.634 125 HD11 LEU 16 1HD1 LEU 16 25.744 1.403 5.465 126 HD12 LEU 16 2HD1 LEU 16 27.448 0.956 5.373 127 HD13 LEU 16 3HD1 LEU 16 26.433 0.308 6.663 128 HD21 LEU 16 1HD2 LEU 16 24.789 -2.288 4.843 129 HD22 LEU 16 2HD2 LEU 16 24.051 -0.776 5.372 130 HD23 LEU 16 3HD2 LEU 16 25.211 -1.605 6.413 131 H LEU 17 H LEU 17 26.842 -1.253 0.719 132 HA LEU 17 HA LEU 17 28.511 -3.232 1.893 133 HB2 LEU 17 1HB LEU 17 26.815 -3.683 0.121 134 HB3 LEU 17 2HB LEU 17 27.852 -2.851 -1.037 135 HG LEU 17 HG LEU 17 29.696 -4.474 -0.389 136 HD11 LEU 17 1HD1 LEU 17 27.346 -5.698 1.066 137 HD12 LEU 17 2HD1 LEU 17 28.941 -5.310 1.709 138 HD13 LEU 17 3HD1 LEU 17 28.747 -6.653 0.584 139 HD21 LEU 17 1HD2 LEU 17 28.421 -4.744 -2.466 140 HD22 LEU 17 2HD2 LEU 17 27.140 -5.583 -1.593 141 HD23 LEU 17 3HD2 LEU 17 28.732 -6.324 -1.749 142 H LEU 18 H LEU 18 29.088 -0.762 -0.580 143 HA LEU 18 HA LEU 18 31.776 -1.403 -1.131 144 HB2 LEU 18 1HB LEU 18 30.370 0.132 -2.505 145 HB3 LEU 18 2HB LEU 18 30.479 1.333 -1.219 146 HG LEU 18 HG LEU 18 33.007 1.160 -1.423 147 HD11 LEU 18 1HD1 LEU 18 33.346 -0.891 -2.550 148 HD12 LEU 18 2HD1 LEU 18 33.679 0.328 -3.780 149 HD13 LEU 18 3HD1 LEU 18 32.132 -0.518 -3.773 150 HD21 LEU 18 1HD2 LEU 18 31.589 2.979 -2.444 151 HD22 LEU 18 2HD2 LEU 18 31.565 2.045 -3.940 152 HD23 LEU 18 3HD2 LEU 18 33.091 2.670 -3.314 153 H LEU 19 H LEU 19 30.300 0.768 1.256 154 HA LEU 19 HA LEU 19 32.662 1.863 2.314 155 HB2 LEU 19 1HB LEU 19 30.310 2.619 2.783 156 HB3 LEU 19 2HB LEU 19 30.134 1.229 3.852 157 HG LEU 19 HG LEU 19 32.500 3.035 4.236 158 HD11 LEU 19 1HD1 LEU 19 30.570 4.570 4.051 159 HD12 LEU 19 2HD1 LEU 19 31.175 4.499 5.706 160 HD13 LEU 19 3HD1 LEU 19 29.708 3.625 5.265 161 HD21 LEU 19 1HD2 LEU 19 30.810 1.159 5.865 162 HD22 LEU 19 2HD2 LEU 19 31.716 2.429 6.688 163 HD23 LEU 19 3HD2 LEU 19 32.565 1.230 5.716 164 H ALA 20 H ALA 20 30.951 -1.152 3.048 165 HA ALA 20 HA ALA 20 32.393 -1.803 5.394 166 HB1 ALA 20 1HB ALA 20 31.624 -4.156 4.879 167 HB2 ALA 20 2HB ALA 20 30.924 -3.522 3.389 168 HB3 ALA 20 3HB ALA 20 30.338 -2.951 4.951 169 H CYS 21 H CYS 21 32.865 -2.776 2.002 170 HA CYS 21 HA CYS 21 34.985 -4.574 2.504 171 HB2 CYS 21 1HB CYS 21 34.273 -3.015 0.009 172 HB3 CYS 21 2HB CYS 21 35.467 -4.311 0.067 173 HG CYS 21 HG CYS 21 33.451 -5.898 0.907 174 H ILE 22 H ILE 22 35.008 -1.181 1.422 175 HA ILE 22 HA ILE 22 37.814 -1.000 1.177 176 HB ILE 22 HB ILE 22 36.250 0.585 0.124 177 HG12 ILE 22 1HG1 ILE 22 38.089 2.062 2.013 178 HG13 ILE 22 2HG1 ILE 22 38.697 1.101 0.664 179 HG21 ILE 22 1HG2 ILE 22 35.907 1.681 2.930 180 HG22 ILE 22 2HG2 ILE 22 34.672 0.824 2.007 181 HG23 ILE 22 3HG2 ILE 22 35.258 2.391 1.454 182 HD11 ILE 22 1HD1 ILE 22 37.015 3.597 0.590 183 HD12 ILE 22 2HD1 ILE 22 37.002 2.469 -0.768 184 HD13 ILE 22 3HD1 ILE 22 38.510 3.242 -0.278 185 H PHE 23 H PHE 23 35.674 -0.462 3.938 186 HA PHE 23 HA PHE 23 37.484 0.921 5.586 187 HB2 PHE 23 1HB PHE 23 35.052 0.736 5.973 188 HB3 PHE 23 2HB PHE 23 35.247 -0.965 6.337 189 HD1 PHE 23 HD1 PHE 23 36.235 -1.691 8.458 190 HD2 PHE 23 HD2 PHE 23 35.732 2.474 7.530 191 HE1 PHE 23 HE1 PHE 23 36.600 -1.115 10.841 192 HE2 PHE 23 HE2 PHE 23 36.099 3.049 9.915 193 HZ PHE 23 HZ PHE 23 36.530 1.254 11.570 194 H LEU 24 H LEU 24 36.700 -2.543 5.394 195 HA LEU 24 HA LEU 24 38.444 -3.318 7.486 196 HB2 LEU 24 1HB LEU 24 37.061 -4.788 5.268 197 HB3 LEU 24 2HB LEU 24 38.258 -5.618 6.264 198 HG LEU 24 HG LEU 24 36.908 -4.581 8.264 199 HD11 LEU 24 1HD1 LEU 24 34.498 -4.370 7.750 200 HD12 LEU 24 2HD1 LEU 24 34.846 -4.615 6.040 201 HD13 LEU 24 3HD1 LEU 24 35.446 -3.176 6.864 202 HD21 LEU 24 1HD2 LEU 24 35.719 -6.623 8.463 203 HD22 LEU 24 2HD2 LEU 24 37.120 -7.031 7.474 204 HD23 LEU 24 3HD2 LEU 24 35.547 -6.788 6.715 205 H ILE 25 H ILE 25 38.926 -3.160 3.960 206 HA ILE 25 HA ILE 25 41.374 -4.593 4.039 207 HB ILE 25 HB ILE 25 41.665 -3.864 1.706 208 HG12 ILE 25 1HG1 ILE 25 39.131 -2.264 2.208 209 HG13 ILE 25 2HG1 ILE 25 40.724 -1.573 1.925 210 HG21 ILE 25 1HG2 ILE 25 40.233 -5.794 2.362 211 HG22 ILE 25 2HG2 ILE 25 39.680 -5.020 0.877 212 HG23 ILE 25 3HG2 ILE 25 38.838 -4.716 2.396 213 HD11 ILE 25 1HD1 ILE 25 38.896 -2.939 -0.005 214 HD12 ILE 25 2HD1 ILE 25 40.637 -3.066 -0.257 215 HD13 ILE 25 3HD1 ILE 25 39.866 -1.481 -0.216 216 H LYS 26 H LYS 26 40.693 -1.095 4.015 217 HA LYS 26 HA LYS 26 43.386 -0.293 3.701 218 HB2 LYS 26 1HB LYS 26 41.102 1.179 5.028 219 HB3 LYS 26 2HB LYS 26 42.634 1.900 4.538 220 HG2 LYS 26 1HG LYS 26 40.737 0.497 2.638 221 HG3 LYS 26 2HG LYS 26 40.790 2.243 2.869 222 HD2 LYS 26 1HD LYS 26 43.241 2.150 2.241 223 HD3 LYS 26 2HD LYS 26 42.992 0.462 1.795 224 HE2 LYS 26 1HE LYS 26 41.448 1.028 0.079 225 HE3 LYS 26 2HE LYS 26 41.282 2.681 0.670 226 HZ1 LYS 26 1HZ LYS 26 42.715 2.787 -1.171 227 HZ2 LYS 26 2HZ LYS 26 43.624 1.446 -0.656 228 HZ3 LYS 26 3HZ LYS 26 43.724 2.918 0.186 229 H ILE 27 H ILE 27 41.456 -0.951 6.610 230 HA ILE 27 HA ILE 27 43.429 -0.054 8.442 231 HB ILE 27 HB ILE 27 41.235 -2.100 8.868 232 HG12 ILE 27 1HG1 ILE 27 41.274 0.883 9.419 233 HG13 ILE 27 2HG1 ILE 27 40.493 0.148 8.020 234 HG21 ILE 27 1HG2 ILE 27 43.040 -2.065 10.615 235 HG22 ILE 27 2HG2 ILE 27 41.468 -1.557 11.230 236 HG23 ILE 27 3HG2 ILE 27 42.704 -0.353 10.868 237 HD11 ILE 27 1HD1 ILE 27 38.862 0.543 9.822 238 HD12 ILE 27 2HD1 ILE 27 39.828 -0.443 10.919 239 HD13 ILE 27 3HD1 ILE 27 39.054 -1.184 9.518 240 H LEU 28 H LEU 28 42.728 -3.287 7.113 241 HA LEU 28 HA LEU 28 44.520 -4.711 8.747 242 HB2 LEU 28 1HB LEU 28 42.733 -5.738 7.346 243 HB3 LEU 28 2HB LEU 28 43.695 -5.377 5.912 244 HG LEU 28 HG LEU 28 45.586 -6.691 6.981 245 HD11 LEU 28 1HD1 LEU 28 43.341 -7.290 8.915 246 HD12 LEU 28 2HD1 LEU 28 44.970 -6.723 9.280 247 HD13 LEU 28 3HD1 LEU 28 44.717 -8.375 8.716 248 HD21 LEU 28 1HD2 LEU 28 44.197 -7.667 5.213 249 HD22 LEU 28 2HD2 LEU 28 42.970 -8.118 6.398 250 HD23 LEU 28 3HD2 LEU 28 44.554 -8.893 6.428 251 H ALA 29 H ALA 29 44.954 -3.233 5.548 252 HA ALA 29 HA ALA 29 47.633 -4.101 5.186 253 HB1 ALA 29 1HB ALA 29 47.677 -2.134 3.533 254 HB2 ALA 29 2HB ALA 29 45.984 -1.893 3.967 255 HB3 ALA 29 3HB ALA 29 46.499 -3.413 3.235 256 H ALA 30 H ALA 30 46.211 -1.173 6.565 257 HA ALA 30 HA ALA 30 47.086 0.505 7.850 258 HB1 ALA 30 1HB ALA 30 48.021 -1.575 9.043 259 HB2 ALA 30 2HB ALA 30 48.779 -0.018 9.377 260 HB3 ALA 30 3HB ALA 30 49.552 -1.156 8.275 261 H SER 31 H SER 31 48.320 -0.208 4.896 262 HA SER 31 HA SER 31 50.848 1.006 4.810 263 HB2 SER 31 1HB SER 31 48.749 0.974 2.628 264 HB3 SER 31 2HB SER 31 50.480 1.214 2.416 265 HG SER 31 HG SER 31 49.093 -1.070 2.605 266 H ALA 32 H ALA 32 47.594 2.381 4.548 267 HA ALA 32 HA ALA 32 48.352 4.962 3.707 268 HB1 ALA 32 1HB ALA 32 46.126 5.645 4.671 269 HB2 ALA 32 2HB ALA 32 45.950 3.994 5.267 270 HB3 ALA 32 3HB ALA 32 46.052 4.299 3.533 271 H LEU 33 H LEU 33 47.829 3.634 6.975 272 HA LEU 33 HA LEU 33 48.129 6.073 8.356 273 HB2 LEU 33 1HB LEU 33 48.514 3.202 9.197 274 HB3 LEU 33 2HB LEU 33 48.710 4.551 10.318 275 HG LEU 33 HG LEU 33 46.365 5.296 9.422 276 HD11 LEU 33 1HD1 LEU 33 46.004 3.780 7.640 277 HD12 LEU 33 2HD1 LEU 33 45.006 3.150 8.951 278 HD13 LEU 33 3HD1 LEU 33 46.562 2.402 8.590 279 HD21 LEU 33 1HD2 LEU 33 46.581 2.835 11.180 280 HD22 LEU 33 2HD2 LEU 33 45.303 4.050 11.212 281 HD23 LEU 33 3HD2 LEU 33 46.934 4.472 11.731 282 H TRP 34 H TRP 34 50.499 3.615 7.400 283 HA TRP 34 HA TRP 34 52.686 4.697 8.830 284 HB2 TRP 34 1HB TRP 34 52.579 2.407 7.854 285 HB3 TRP 34 2HB TRP 34 52.757 3.116 6.262 286 HD1 TRP 34 HD1 TRP 34 55.138 3.412 5.414 287 HE1 TRP 34 HE1 TRP 34 57.487 3.269 6.462 288 HE3 TRP 34 HE3 TRP 34 53.878 2.898 10.335 289 HZ2 TRP 34 HZ2 TRP 34 58.679 2.976 9.050 290 HZ3 TRP 34 HZ3 TRP 34 55.634 2.690 12.067 291 HH2 TRP 34 HH2 TRP 34 58.030 2.728 11.435 292 H ALA 35 H ALA 35 51.621 5.154 5.467 293 HA ALA 35 HA ALA 35 53.796 6.757 4.660 294 HB1 ALA 35 1HB ALA 35 52.347 7.414 2.775 295 HB2 ALA 35 2HB ALA 35 50.964 6.689 3.595 296 HB3 ALA 35 3HB ALA 35 52.301 5.674 3.056 297 H ALA 36 H ALA 36 50.639 7.608 6.031 298 HA ALA 36 HA ALA 36 50.793 10.386 5.655 299 HB1 ALA 36 1HB ALA 36 49.250 10.354 7.771 300 HB2 ALA 36 2HB ALA 36 49.293 8.605 7.543 301 HB3 ALA 36 3HB ALA 36 48.677 9.647 6.260 302 H ALA 37 H ALA 37 52.039 8.320 8.240 303 HA ALA 37 HA ALA 37 52.736 10.395 10.040 304 HB1 ALA 37 1HB ALA 37 54.217 8.700 11.071 305 HB2 ALA 37 2HB ALA 37 53.934 7.637 9.691 306 HB3 ALA 37 3HB ALA 37 52.600 8.069 10.762 307 H TRP 38 H TRP 38 54.483 8.848 7.381 308 HA TRP 38 HA TRP 38 57.034 9.896 7.886 309 HB2 TRP 38 1HB TRP 38 56.453 8.098 6.241 310 HB3 TRP 38 2HB TRP 38 55.823 9.343 5.180 311 HD1 TRP 38 HD1 TRP 38 57.497 10.575 3.672 312 HE1 TRP 38 HE1 TRP 38 60.053 10.483 3.354 313 HE3 TRP 38 HE3 TRP 38 58.777 7.683 7.680 314 HZ2 TRP 38 HZ2 TRP 38 62.343 9.331 4.634 315 HZ3 TRP 38 HZ3 TRP 38 61.145 7.104 8.107 316 HH2 TRP 38 HH2 TRP 38 62.929 7.921 6.593 317 H HIS 39 H HIS 39 54.265 11.287 6.190 318 HA HIS 39 HA HIS 39 55.854 13.711 5.602 319 HB2 HIS 39 1HB HIS 39 53.254 12.720 4.431 320 HB3 HIS 39 2HB HIS 39 54.020 14.241 4.018 321 HD1 HIS 39 HD1 HIS 39 54.179 10.577 3.399 322 HD2 HIS 39 HD2 HIS 39 56.415 13.959 2.431 323 HE1 HIS 39 HE1 HIS 39 55.777 9.877 1.567 324 H GLY 40 H GLY 40 55.051 15.755 6.126 325 HA2 GLY 40 1HA GLY 40 53.690 17.328 7.164 326 HA3 GLY 40 2HA GLY 40 52.538 16.050 7.531 327 H GLN 41 H GLN 41 55.982 16.115 8.350 328 HA GLN 41 HA GLN 41 55.644 15.250 10.988 329 HB2 GLN 41 1HB GLN 41 57.885 16.867 9.755 330 HB3 GLN 41 2HB GLN 41 57.963 16.097 11.340 331 HG2 GLN 41 1HG GLN 41 57.605 13.902 10.329 332 HG3 GLN 41 2HG GLN 41 57.422 14.637 8.739 333 HE21 GLN 41 1HE2 GLN 41 59.446 12.678 9.257 334 HE22 GLN 41 2HE2 GLN 41 60.961 13.435 9.146 335 H LYS 42 H LYS 42 55.725 18.523 9.648 336 HA LYS 42 HA LYS 42 54.944 19.567 12.311 337 HB2 LYS 42 1HB LYS 42 56.031 21.690 11.658 338 HB3 LYS 42 2HB LYS 42 57.181 20.355 11.716 339 HG2 LYS 42 1HG LYS 42 57.070 20.096 9.294 340 HG3 LYS 42 2HG LYS 42 55.824 21.340 9.190 341 HD2 LYS 42 1HD LYS 42 57.738 22.572 8.689 342 HD3 LYS 42 2HD LYS 42 57.608 22.826 10.430 343 HE2 LYS 42 1HE LYS 42 59.863 22.216 10.147 344 HE3 LYS 42 2HE LYS 42 59.094 20.704 10.629 345 HZ1 LYS 42 1HZ LYS 42 59.632 19.791 8.700 346 HZ2 LYS 42 2HZ LYS 42 60.547 21.175 8.333 347 HZ3 LYS 42 3HZ LYS 42 58.929 21.062 7.823 348 HA PRO 43 HA PRO 43 51.437 21.166 10.128 349 HB2 PRO 43 1HB PRO 43 50.621 23.204 11.700 350 HB3 PRO 43 2HB PRO 43 50.544 21.516 12.242 351 HG2 PRO 43 1HG PRO 43 52.457 23.648 12.978 352 HG3 PRO 43 2HG PRO 43 51.824 22.308 13.947 353 HD2 PRO 43 1HD PRO 43 54.334 22.372 12.691 354 HD3 PRO 43 2HD PRO 43 53.533 20.928 13.342 355 H GLY 44 H GLY 44 53.880 23.558 11.024 356 HA2 GLY 44 1HA GLY 44 54.831 25.242 9.746 357 HA3 GLY 44 2HA GLY 44 53.788 24.769 8.411 358 H THR 45 H THR 45 52.626 25.616 11.632 359 HA THR 45 HA THR 45 51.515 28.137 10.540 360 HB THR 45 HB THR 45 49.484 27.752 11.840 361 HG1 THR 45 HG1 THR 45 50.331 26.523 13.505 362 HG21 THR 45 1HG2 THR 45 50.235 25.369 10.123 363 HG22 THR 45 2HG2 THR 45 49.555 26.888 9.541 364 HG23 THR 45 3HG2 THR 45 48.592 25.828 10.571 365 H HIS 46 H HIS 46 50.964 29.724 12.228 366 HA HIS 46 HA HIS 46 53.106 29.900 14.169 367 HB2 HIS 46 1HB HIS 46 50.797 31.738 13.534 368 HB3 HIS 46 2HB HIS 46 52.055 32.099 14.701 369 HD1 HIS 46 HD1 HIS 46 51.362 31.922 11.035 370 HD2 HIS 46 HD2 HIS 46 54.592 32.754 13.535 371 HE1 HIS 46 HE1 HIS 46 53.154 32.946 9.571 Start of MODEL 5 1 H ARG 1 3H ARG 1 27.543 13.750 -9.839 2 HA ARG 1 HA ARG 1 27.648 16.261 -10.128 3 HB2 ARG 1 1HB ARG 1 27.606 16.685 -7.660 4 HB3 ARG 1 2HB ARG 1 29.204 15.947 -7.545 5 HG2 ARG 1 1HG ARG 1 30.082 17.632 -9.140 6 HG3 ARG 1 2HG ARG 1 28.491 18.393 -9.189 7 HD2 ARG 1 1HD ARG 1 28.627 18.737 -6.720 8 HD3 ARG 1 2HD ARG 1 30.265 18.090 -6.751 9 HE ARG 1 HE ARG 1 30.438 20.061 -8.565 10 HH11 ARG 1 1HH1 ARG 1 29.053 20.086 -5.339 11 HH12 ARG 1 2HH1 ARG 1 29.401 21.765 -5.094 12 HH21 ARG 1 1HH2 ARG 1 30.861 22.219 -8.192 13 HH22 ARG 1 2HH2 ARG 1 30.411 22.957 -6.690 14 H SER 2 H SER 2 29.497 16.930 -11.242 15 HA SER 2 HA SER 2 31.386 16.647 -12.501 16 HB2 SER 2 1HB SER 2 32.125 15.396 -9.886 17 HB3 SER 2 2HB SER 2 33.214 15.214 -11.257 18 HG SER 2 HG SER 2 33.661 17.105 -10.053 19 H LEU 3 H LEU 3 31.127 15.502 -14.293 20 HA LEU 3 HA LEU 3 30.138 12.869 -14.439 21 HB2 LEU 3 1HB LEU 3 31.662 14.574 -16.408 22 HB3 LEU 3 2HB LEU 3 31.083 12.956 -16.804 23 HG LEU 3 HG LEU 3 28.792 13.852 -15.880 24 HD11 LEU 3 1HD1 LEU 3 28.681 16.357 -16.631 25 HD12 LEU 3 2HD1 LEU 3 30.423 16.335 -16.357 26 HD13 LEU 3 3HD1 LEU 3 29.317 15.973 -15.032 27 HD21 LEU 3 1HD2 LEU 3 28.181 14.536 -18.136 28 HD22 LEU 3 2HD2 LEU 3 29.325 13.198 -18.242 29 HD23 LEU 3 3HD2 LEU 3 29.869 14.850 -18.535 30 H LEU 4 H LEU 4 33.436 14.120 -14.253 31 HA LEU 4 HA LEU 4 34.821 11.805 -15.036 32 HB2 LEU 4 1HB LEU 4 35.663 13.896 -13.015 33 HB3 LEU 4 2HB LEU 4 36.733 12.764 -13.842 34 HG LEU 4 HG LEU 4 34.997 14.825 -15.235 35 HD11 LEU 4 1HD1 LEU 4 37.884 14.809 -14.366 36 HD12 LEU 4 2HD1 LEU 4 36.680 16.081 -14.166 37 HD13 LEU 4 3HD1 LEU 4 37.368 15.760 -15.758 38 HD21 LEU 4 1HD2 LEU 4 36.696 14.196 -17.112 39 HD22 LEU 4 2HD2 LEU 4 35.369 13.083 -16.782 40 HD23 LEU 4 3HD2 LEU 4 36.980 12.745 -16.152 41 H GLU 5 H GLU 5 33.497 12.773 -11.901 42 HA GLU 5 HA GLU 5 34.717 10.765 -10.338 43 HB2 GLU 5 1HB GLU 5 32.067 12.180 -9.967 44 HB3 GLU 5 2HB GLU 5 32.864 11.195 -8.739 45 HG2 GLU 5 1HG GLU 5 34.854 12.682 -8.879 46 HG3 GLU 5 2HG GLU 5 33.995 13.691 -10.034 47 H GLY 6 H GLY 6 31.684 10.806 -12.176 48 HA2 GLY 6 1HA GLY 6 30.394 9.081 -12.985 49 HA3 GLY 6 2HA GLY 6 31.761 8.017 -12.671 50 H GLU 7 H GLU 7 30.037 9.967 -10.266 51 HA GLU 7 HA GLU 7 29.420 7.477 -8.815 52 HB2 GLU 7 1HB GLU 7 30.730 9.271 -7.662 53 HB3 GLU 7 2HB GLU 7 29.324 10.327 -7.806 54 HG2 GLU 7 1HG GLU 7 27.969 8.639 -6.576 55 HG3 GLU 7 2HG GLU 7 29.416 7.662 -6.367 56 H ILE 8 H ILE 8 27.411 6.743 -8.722 57 HA ILE 8 HA ILE 8 25.176 8.578 -9.368 58 HB ILE 8 HB ILE 8 23.945 6.545 -10.059 59 HG12 ILE 8 1HG1 ILE 8 26.596 5.120 -9.702 60 HG13 ILE 8 2HG1 ILE 8 25.261 4.996 -8.555 61 HG21 ILE 8 1HG2 ILE 8 25.478 7.930 -11.600 62 HG22 ILE 8 2HG2 ILE 8 25.025 6.319 -12.157 63 HG23 ILE 8 3HG2 ILE 8 26.621 6.594 -11.457 64 HD11 ILE 8 1HD1 ILE 8 25.183 4.217 -11.484 65 HD12 ILE 8 2HD1 ILE 8 23.795 4.180 -10.397 66 HD13 ILE 8 3HD1 ILE 8 25.169 3.113 -10.109 67 HA PRO 9 HA PRO 9 23.604 7.803 -5.295 68 HB2 PRO 9 1HB PRO 9 20.890 7.795 -5.663 69 HB3 PRO 9 2HB PRO 9 21.873 9.273 -5.674 70 HG2 PRO 9 1HG PRO 9 20.775 7.717 -7.954 71 HG3 PRO 9 2HG PRO 9 20.929 9.472 -7.749 72 HD2 PRO 9 1HD PRO 9 22.658 8.003 -9.273 73 HD3 PRO 9 2HD PRO 9 23.126 9.504 -8.449 74 H PHE 10 H PHE 10 24.496 5.617 -5.281 75 HA PHE 10 HA PHE 10 23.053 3.360 -6.227 76 HB2 PHE 10 1HB PHE 10 25.232 3.639 -4.158 77 HB3 PHE 10 2HB PHE 10 24.590 2.095 -4.687 78 HD1 PHE 10 HD1 PHE 10 26.631 5.009 -5.608 79 HD2 PHE 10 HD2 PHE 10 25.069 1.230 -6.925 80 HE1 PHE 10 HE1 PHE 10 28.223 5.014 -7.510 81 HE2 PHE 10 HE2 PHE 10 26.661 1.235 -8.826 82 HZ PHE 10 HZ PHE 10 28.238 3.127 -9.119 83 HA PRO 11 HA PRO 11 19.967 2.695 -3.135 84 HB2 PRO 11 1HB PRO 11 20.889 -0.119 -2.831 85 HB3 PRO 11 2HB PRO 11 19.282 0.505 -3.249 86 HG2 PRO 11 1HG PRO 11 20.850 -0.632 -5.070 87 HG3 PRO 11 2HG PRO 11 19.796 0.737 -5.469 88 HD2 PRO 11 1HD PRO 11 22.760 0.702 -5.068 89 HD3 PRO 11 2HD PRO 11 21.781 1.687 -6.179 90 HA PRO 12 HA PRO 12 21.747 3.255 0.850 91 HB2 PRO 12 1HB PRO 12 20.228 1.494 2.452 92 HB3 PRO 12 2HB PRO 12 19.850 3.187 2.093 93 HG2 PRO 12 1HG PRO 12 18.790 0.715 0.860 94 HG3 PRO 12 2HG PRO 12 17.992 2.271 1.158 95 HD2 PRO 12 1HD PRO 12 18.782 1.564 -1.319 96 HD3 PRO 12 2HD PRO 12 18.870 3.253 -0.766 97 H THR 13 H THR 13 20.811 -0.192 0.978 98 HA THR 13 HA THR 13 23.050 -1.022 2.429 99 HB THR 13 HB THR 13 21.029 -2.368 2.253 100 HG1 THR 13 HG1 THR 13 22.075 -4.285 2.112 101 HG21 THR 13 1HG2 THR 13 20.535 -3.594 0.170 102 HG22 THR 13 2HG2 THR 13 21.881 -2.780 -0.627 103 HG23 THR 13 3HG2 THR 13 20.481 -1.850 -0.093 104 H SER 14 H SER 14 23.012 -0.080 -0.865 105 HA SER 14 HA SER 14 24.897 -2.108 -1.781 106 HB2 SER 14 1HB SER 14 23.838 0.335 -3.225 107 HB3 SER 14 2HB SER 14 24.721 -1.007 -3.945 108 HG SER 14 HG SER 14 22.920 -2.088 -3.998 109 H ILE 15 H ILE 15 24.782 1.413 -1.435 110 HA ILE 15 HA ILE 15 27.570 1.828 -1.815 111 HB ILE 15 HB ILE 15 25.907 3.630 -2.075 112 HG12 ILE 15 1HG1 ILE 15 27.800 4.307 0.181 113 HG13 ILE 15 2HG1 ILE 15 28.360 4.011 -1.465 114 HG21 ILE 15 1HG2 ILE 15 24.977 4.708 -0.048 115 HG22 ILE 15 2HG2 ILE 15 25.664 3.419 0.939 116 HG23 ILE 15 3HG2 ILE 15 24.400 3.054 -0.235 117 HD11 ILE 15 1HD1 ILE 15 26.593 5.759 -2.175 118 HD12 ILE 15 2HD1 ILE 15 28.055 6.352 -1.389 119 HD13 ILE 15 3HD1 ILE 15 26.556 6.213 -0.472 120 H LEU 16 H LEU 16 25.561 1.093 1.001 121 HA LEU 16 HA LEU 16 27.564 1.524 2.968 122 HB2 LEU 16 1HB LEU 16 24.943 0.148 2.819 123 HB3 LEU 16 2HB LEU 16 26.028 -0.457 4.059 124 HG LEU 16 HG LEU 16 24.520 1.329 4.888 125 HD11 LEU 16 1HD1 LEU 16 27.006 0.917 5.623 126 HD12 LEU 16 2HD1 LEU 16 26.129 2.323 6.227 127 HD13 LEU 16 3HD1 LEU 16 27.276 2.503 4.899 128 HD21 LEU 16 1HD2 LEU 16 26.055 3.124 2.982 129 HD22 LEU 16 2HD2 LEU 16 24.875 3.657 4.178 130 HD23 LEU 16 3HD2 LEU 16 24.360 2.667 2.814 131 H LEU 17 H LEU 17 26.757 -1.247 0.918 132 HA LEU 17 HA LEU 17 28.392 -3.144 2.257 133 HB2 LEU 17 1HB LEU 17 26.562 -3.634 0.576 134 HB3 LEU 17 2HB LEU 17 27.695 -3.151 -0.685 135 HG LEU 17 HG LEU 17 28.576 -5.173 1.351 136 HD11 LEU 17 1HD1 LEU 17 26.968 -5.857 -1.127 137 HD12 LEU 17 2HD1 LEU 17 26.324 -5.901 0.515 138 HD13 LEU 17 3HD1 LEU 17 27.630 -6.992 0.051 139 HD21 LEU 17 1HD2 LEU 17 29.634 -6.027 -0.894 140 HD22 LEU 17 2HD2 LEU 17 30.311 -4.596 -0.116 141 HD23 LEU 17 3HD2 LEU 17 29.220 -4.420 -1.491 142 H LEU 18 H LEU 18 28.956 -1.045 -0.537 143 HA LEU 18 HA LEU 18 31.583 -1.874 -1.115 144 HB2 LEU 18 1HB LEU 18 30.184 -0.446 -2.606 145 HB3 LEU 18 2HB LEU 18 30.408 0.893 -1.481 146 HG LEU 18 HG LEU 18 32.912 0.570 -1.766 147 HD11 LEU 18 1HD1 LEU 18 33.490 -0.589 -3.975 148 HD12 LEU 18 2HD1 LEU 18 31.873 -1.291 -3.912 149 HD13 LEU 18 3HD1 LEU 18 33.039 -1.647 -2.638 150 HD21 LEU 18 1HD2 LEU 18 31.114 1.372 -4.061 151 HD22 LEU 18 2HD2 LEU 18 32.864 1.575 -4.134 152 HD23 LEU 18 3HD2 LEU 18 31.929 2.419 -2.899 153 H LEU 19 H LEU 19 30.322 0.642 1.050 154 HA LEU 19 HA LEU 19 32.768 1.739 1.877 155 HB2 LEU 19 1HB LEU 19 30.521 2.684 2.401 156 HB3 LEU 19 2HB LEU 19 30.274 1.373 3.554 157 HG LEU 19 HG LEU 19 32.420 2.111 4.692 158 HD11 LEU 19 1HD1 LEU 19 32.071 4.310 2.658 159 HD12 LEU 19 2HD1 LEU 19 33.531 3.409 3.068 160 HD13 LEU 19 3HD1 LEU 19 32.897 4.615 4.187 161 HD21 LEU 19 1HD2 LEU 19 30.010 3.934 4.522 162 HD22 LEU 19 2HD2 LEU 19 31.302 4.178 5.698 163 HD23 LEU 19 3HD2 LEU 19 30.346 2.696 5.733 164 H ALA 20 H ALA 20 30.997 -1.109 3.014 165 HA ALA 20 HA ALA 20 32.532 -1.597 5.333 166 HB1 ALA 20 1HB ALA 20 30.442 -2.732 5.086 167 HB2 ALA 20 2HB ALA 20 31.696 -3.971 5.053 168 HB3 ALA 20 3HB ALA 20 30.938 -3.443 3.550 169 H CYS 21 H CYS 21 32.865 -2.804 2.010 170 HA CYS 21 HA CYS 21 35.006 -4.572 2.497 171 HB2 CYS 21 1HB CYS 21 34.257 -3.059 -0.015 172 HB3 CYS 21 2HB CYS 21 35.434 -4.371 0.048 173 HG CYS 21 HG CYS 21 32.368 -4.705 0.483 174 H ILE 22 H ILE 22 34.983 -1.178 1.443 175 HA ILE 22 HA ILE 22 37.754 -0.917 1.045 176 HB ILE 22 HB ILE 22 35.759 1.206 1.886 177 HG12 ILE 22 1HG1 ILE 22 36.759 0.468 -0.878 178 HG13 ILE 22 2HG1 ILE 22 35.232 -0.109 -0.212 179 HG21 ILE 22 1HG2 ILE 22 37.353 2.774 0.854 180 HG22 ILE 22 2HG2 ILE 22 38.455 1.442 0.509 181 HG23 ILE 22 3HG2 ILE 22 38.122 1.902 2.179 182 HD11 ILE 22 1HD1 ILE 22 36.008 2.797 -0.597 183 HD12 ILE 22 2HD1 ILE 22 34.490 2.231 0.100 184 HD13 ILE 22 3HD1 ILE 22 34.864 1.895 -1.591 185 H PHE 23 H PHE 23 35.759 -0.423 3.938 186 HA PHE 23 HA PHE 23 37.736 0.721 5.574 187 HB2 PHE 23 1HB PHE 23 35.308 0.650 6.093 188 HB3 PHE 23 2HB PHE 23 35.451 -1.069 6.410 189 HD1 PHE 23 HD1 PHE 23 36.389 2.315 7.575 190 HD2 PHE 23 HD2 PHE 23 36.398 -1.886 8.472 191 HE1 PHE 23 HE1 PHE 23 37.009 2.817 9.923 192 HE2 PHE 23 HE2 PHE 23 37.018 -1.384 10.820 193 HZ PHE 23 HZ PHE 23 37.324 0.969 11.545 194 H LEU 24 H LEU 24 36.796 -2.668 5.094 195 HA LEU 24 HA LEU 24 38.464 -3.787 7.061 196 HB2 LEU 24 1HB LEU 24 36.577 -4.817 5.489 197 HB3 LEU 24 2HB LEU 24 37.962 -5.261 4.505 198 HG LEU 24 HG LEU 24 37.425 -7.103 5.979 199 HD11 LEU 24 1HD1 LEU 24 39.537 -7.525 6.918 200 HD12 LEU 24 2HD1 LEU 24 39.810 -5.825 7.298 201 HD13 LEU 24 3HD1 LEU 24 39.883 -6.377 5.625 202 HD21 LEU 24 1HD2 LEU 24 36.359 -5.419 7.687 203 HD22 LEU 24 2HD2 LEU 24 37.967 -5.437 8.413 204 HD23 LEU 24 3HD2 LEU 24 37.049 -6.935 8.268 205 H ILE 25 H ILE 25 39.053 -3.092 3.634 206 HA ILE 25 HA ILE 25 41.607 -4.287 3.483 207 HB ILE 25 HB ILE 25 40.511 -1.955 1.884 208 HG12 ILE 25 1HG1 ILE 25 40.532 -4.919 1.244 209 HG13 ILE 25 2HG1 ILE 25 39.128 -4.065 1.882 210 HG21 ILE 25 1HG2 ILE 25 42.735 -3.932 1.272 211 HG22 ILE 25 2HG2 ILE 25 42.963 -2.230 1.672 212 HG23 ILE 25 3HG2 ILE 25 42.140 -2.681 0.180 213 HD11 ILE 25 1HD1 ILE 25 38.964 -4.193 -0.554 214 HD12 ILE 25 2HD1 ILE 25 40.559 -3.459 -0.721 215 HD13 ILE 25 3HD1 ILE 25 39.218 -2.517 -0.066 216 H LYS 26 H LYS 26 40.618 -0.956 4.248 217 HA LYS 26 HA LYS 26 43.201 0.165 4.200 218 HB2 LYS 26 1HB LYS 26 40.703 1.022 5.672 219 HB3 LYS 26 2HB LYS 26 42.167 1.999 5.555 220 HG2 LYS 26 1HG LYS 26 42.001 2.052 3.130 221 HG3 LYS 26 2HG LYS 26 40.625 0.947 3.166 222 HD2 LYS 26 1HD LYS 26 39.749 3.179 2.906 223 HD3 LYS 26 2HD LYS 26 39.394 2.661 4.553 224 HE2 LYS 26 1HE LYS 26 41.120 3.994 5.470 225 HE3 LYS 26 2HE LYS 26 41.902 4.208 3.905 226 HZ1 LYS 26 1HZ LYS 26 40.425 6.083 4.896 227 HZ2 LYS 26 2HZ LYS 26 39.147 5.155 4.269 228 HZ3 LYS 26 3HZ LYS 26 40.361 5.741 3.235 229 H ILE 27 H ILE 27 41.303 -1.199 6.881 230 HA ILE 27 HA ILE 27 43.229 -0.497 8.861 231 HB ILE 27 HB ILE 27 40.850 -0.885 9.384 232 HG12 ILE 27 1HG1 ILE 27 41.301 -2.315 11.433 233 HG13 ILE 27 2HG1 ILE 27 42.927 -2.571 10.798 234 HG21 ILE 27 1HG2 ILE 27 40.398 -2.808 7.962 235 HG22 ILE 27 2HG2 ILE 27 40.069 -3.230 9.640 236 HG23 ILE 27 3HG2 ILE 27 41.551 -3.789 8.868 237 HD11 ILE 27 1HD1 ILE 27 43.486 -0.281 10.976 238 HD12 ILE 27 2HD1 ILE 27 42.596 -0.620 12.461 239 HD13 ILE 27 3HD1 ILE 27 41.797 0.207 11.123 240 H LEU 28 H LEU 28 42.716 -3.429 6.938 241 HA LEU 28 HA LEU 28 44.580 -5.070 8.258 242 HB2 LEU 28 1HB LEU 28 42.947 -5.848 6.542 243 HB3 LEU 28 2HB LEU 28 43.920 -5.055 5.304 244 HG LEU 28 HG LEU 28 45.888 -6.436 6.112 245 HD11 LEU 28 1HD1 LEU 28 43.649 -7.698 7.705 246 HD12 LEU 28 2HD1 LEU 28 45.196 -7.092 8.297 247 HD13 LEU 28 3HD1 LEU 28 45.139 -8.565 7.329 248 HD21 LEU 28 1HD2 LEU 28 44.794 -7.109 4.086 249 HD22 LEU 28 2HD2 LEU 28 43.413 -7.758 4.972 250 HD23 LEU 28 3HD2 LEU 28 44.977 -8.571 5.057 251 H ALA 29 H ALA 29 44.974 -2.741 5.621 252 HA ALA 29 HA ALA 29 47.664 -3.204 5.027 253 HB1 ALA 29 1HB ALA 29 45.900 -1.691 3.862 254 HB2 ALA 29 2HB ALA 29 47.598 -1.215 3.819 255 HB3 ALA 29 3HB ALA 29 46.495 -0.443 4.958 256 H ALA 30 H ALA 30 46.257 -1.538 7.769 257 HA ALA 30 HA ALA 30 48.325 0.189 8.480 258 HB1 ALA 30 1HB ALA 30 46.785 -1.385 10.530 259 HB2 ALA 30 2HB ALA 30 45.997 -0.144 9.556 260 HB3 ALA 30 3HB ALA 30 47.343 0.287 10.611 261 H SER 31 H SER 31 47.954 -3.281 9.141 262 HA SER 31 HA SER 31 50.161 -3.637 10.829 263 HB2 SER 31 1HB SER 31 48.442 -5.379 10.292 264 HB3 SER 31 2HB SER 31 49.189 -5.566 8.708 265 HG SER 31 HG SER 31 50.389 -5.964 11.256 266 H ALA 32 H ALA 32 49.959 -3.554 7.288 267 HA ALA 32 HA ALA 32 52.634 -4.253 6.743 268 HB1 ALA 32 1HB ALA 32 52.205 -3.598 4.548 269 HB2 ALA 32 2HB ALA 32 51.133 -2.288 5.042 270 HB3 ALA 32 3HB ALA 32 50.585 -3.962 5.144 271 H LEU 33 H LEU 33 51.103 -1.110 7.380 272 HA LEU 33 HA LEU 33 53.312 0.517 6.762 273 HB2 LEU 33 1HB LEU 33 50.988 1.338 7.137 274 HB3 LEU 33 2HB LEU 33 51.191 1.026 8.861 275 HG LEU 33 HG LEU 33 53.230 2.537 8.786 276 HD11 LEU 33 1HD1 LEU 33 53.142 4.179 6.821 277 HD12 LEU 33 2HD1 LEU 33 52.108 2.998 6.016 278 HD13 LEU 33 3HD1 LEU 33 53.760 2.567 6.461 279 HD21 LEU 33 1HD2 LEU 33 51.825 4.635 8.661 280 HD22 LEU 33 2HD2 LEU 33 51.159 3.381 9.707 281 HD23 LEU 33 3HD2 LEU 33 50.489 3.633 8.095 282 H TRP 34 H TRP 34 52.370 -1.097 9.771 283 HA TRP 34 HA TRP 34 54.339 0.036 11.437 284 HB2 TRP 34 1HB TRP 34 52.345 -1.261 12.194 285 HB3 TRP 34 2HB TRP 34 53.136 -2.724 11.638 286 HD1 TRP 34 HD1 TRP 34 53.610 0.111 14.201 287 HE1 TRP 34 HE1 TRP 34 54.962 -0.817 16.189 288 HE3 TRP 34 HE3 TRP 34 54.659 -4.570 12.447 289 HZ2 TRP 34 HZ2 TRP 34 56.312 -3.229 16.939 290 HZ3 TRP 34 HZ3 TRP 34 55.975 -6.158 13.815 291 HH2 TRP 34 HH2 TRP 34 56.802 -5.498 16.055 292 H ALA 35 H ALA 35 54.355 -2.932 9.490 293 HA ALA 35 HA ALA 35 56.890 -3.871 10.276 294 HB1 ALA 35 1HB ALA 35 56.818 -5.242 8.265 295 HB2 ALA 35 2HB ALA 35 55.542 -4.228 7.589 296 HB3 ALA 35 3HB ALA 35 55.223 -5.214 9.017 297 H ALA 36 H ALA 36 55.925 -1.680 7.672 298 HA ALA 36 HA ALA 36 58.435 -1.370 6.450 299 HB1 ALA 36 1HB ALA 36 56.453 -0.587 5.338 300 HB2 ALA 36 2HB ALA 36 57.491 0.808 5.632 301 HB3 ALA 36 3HB ALA 36 56.088 0.522 6.660 302 H ALA 37 H ALA 37 57.116 0.067 9.368 303 HA ALA 37 HA ALA 37 58.739 2.323 9.619 304 HB1 ALA 37 1HB ALA 37 56.836 1.814 11.105 305 HB2 ALA 37 2HB ALA 37 58.301 2.174 12.019 306 HB3 ALA 37 3HB ALA 37 57.766 0.504 11.833 307 H TRP 38 H TRP 38 59.495 -1.066 10.248 308 HA TRP 38 HA TRP 38 61.779 -0.801 11.813 309 HB2 TRP 38 1HB TRP 38 61.035 -2.813 9.703 310 HB3 TRP 38 2HB TRP 38 62.509 -2.945 10.643 311 HD1 TRP 38 HD1 TRP 38 58.885 -3.735 10.710 312 HE1 TRP 38 HE1 TRP 38 58.232 -4.727 12.997 313 HE3 TRP 38 HE3 TRP 38 63.119 -2.691 13.365 314 HZ2 TRP 38 HZ2 TRP 38 59.357 -5.037 15.613 315 HZ3 TRP 38 HZ3 TRP 38 63.303 -3.343 15.745 316 HH2 TRP 38 HH2 TRP 38 61.432 -4.513 16.874 317 H HIS 39 H HIS 39 61.409 -0.430 8.318 318 HA HIS 39 HA HIS 39 64.254 0.398 8.158 319 HB2 HIS 39 1HB HIS 39 63.661 -1.642 6.855 320 HB3 HIS 39 2HB HIS 39 62.504 -0.687 5.949 321 HD1 HIS 39 HD1 HIS 39 66.232 -0.506 6.774 322 HD2 HIS 39 HD2 HIS 39 63.615 0.283 3.626 323 HE1 HIS 39 HE1 HIS 39 67.662 0.246 4.825 324 H GLY 40 H GLY 40 64.739 2.320 7.170 325 HA2 GLY 40 1HA GLY 40 62.551 4.227 6.978 326 HA3 GLY 40 2HA GLY 40 64.269 4.597 6.910 327 H GLN 41 H GLN 41 61.834 2.799 5.006 328 HA GLN 41 HA GLN 41 63.153 2.953 2.537 329 HB2 GLN 41 1HB GLN 41 60.194 2.819 3.157 330 HB3 GLN 41 2HB GLN 41 60.888 2.584 1.553 331 HG2 GLN 41 1HG GLN 41 62.195 0.684 2.356 332 HG3 GLN 41 2HG GLN 41 61.608 0.942 3.996 333 HE21 GLN 41 1HE2 GLN 41 61.183 -1.536 2.621 334 HE22 GLN 41 2HE2 GLN 41 59.519 -1.705 2.332 335 H LYS 42 H LYS 42 60.964 5.234 4.128 336 HA LYS 42 HA LYS 42 60.389 7.395 3.641 337 HB2 LYS 42 1HB LYS 42 62.861 7.643 3.841 338 HB3 LYS 42 2HB LYS 42 62.997 7.390 2.101 339 HG2 LYS 42 1HG LYS 42 62.994 9.754 2.424 340 HG3 LYS 42 2HG LYS 42 61.397 9.345 1.806 341 HD2 LYS 42 1HD LYS 42 61.674 9.309 4.775 342 HD3 LYS 42 2HD LYS 42 61.822 10.887 4.013 343 HE2 LYS 42 1HE LYS 42 59.556 9.226 3.050 344 HE3 LYS 42 2HE LYS 42 59.445 9.787 4.717 345 HZ1 LYS 42 1HZ LYS 42 60.325 11.756 2.776 346 HZ2 LYS 42 2HZ LYS 42 59.259 11.919 4.088 347 HZ3 LYS 42 3HZ LYS 42 58.713 11.250 2.625 348 HA PRO 43 HA PRO 43 58.789 5.840 -0.539 349 HB2 PRO 43 1HB PRO 43 56.375 7.133 0.656 350 HB3 PRO 43 2HB PRO 43 56.504 5.629 -0.279 351 HG2 PRO 43 1HG PRO 43 56.164 5.595 2.355 352 HG3 PRO 43 2HG PRO 43 57.180 4.397 1.532 353 HD2 PRO 43 1HD PRO 43 58.003 6.710 3.220 354 HD3 PRO 43 2HD PRO 43 58.814 5.150 2.966 355 H GLY 44 H GLY 44 58.462 7.126 -2.351 356 HA2 GLY 44 1HA GLY 44 58.115 9.076 -3.589 357 HA3 GLY 44 2HA GLY 44 57.956 9.976 -2.083 358 H THR 45 H THR 45 59.333 11.529 -3.317 359 HA THR 45 HA THR 45 62.098 10.835 -3.766 360 HB THR 45 HB THR 45 60.804 13.571 -3.702 361 HG1 THR 45 HG1 THR 45 60.530 13.264 -5.891 362 HG21 THR 45 1HG2 THR 45 63.297 12.612 -5.127 363 HG22 THR 45 2HG2 THR 45 63.321 13.428 -3.564 364 HG23 THR 45 3HG2 THR 45 62.717 14.272 -4.990 365 H HIS 46 H HIS 46 63.825 11.220 -2.473 366 HA HIS 46 HA HIS 46 63.470 11.495 0.308 367 HB2 HIS 46 1HB HIS 46 65.431 10.433 -0.773 368 HB3 HIS 46 2HB HIS 46 65.961 12.013 -1.319 369 HD1 HIS 46 HD1 HIS 46 65.082 10.349 2.008 370 HD2 HIS 46 HD2 HIS 46 67.755 13.136 0.439 371 HE1 HIS 46 HE1 HIS 46 66.611 11.022 3.909 Start of MODEL 6 1 H ARG 1 3H ARG 1 5.044 2.002 -2.503 2 HA ARG 1 HA ARG 1 5.598 2.478 -5.144 3 HB2 ARG 1 1HB ARG 1 3.264 4.152 -4.167 4 HB3 ARG 1 2HB ARG 1 4.210 4.483 -5.619 5 HG2 ARG 1 1HG ARG 1 3.583 2.238 -6.500 6 HG3 ARG 1 2HG ARG 1 2.560 1.996 -5.084 7 HD2 ARG 1 1HD ARG 1 1.336 4.109 -5.710 8 HD3 ARG 1 2HD ARG 1 2.257 4.130 -7.210 9 HE ARG 1 HE ARG 1 1.212 1.673 -7.300 10 HH11 ARG 1 1HH1 ARG 1 -0.347 4.711 -6.487 11 HH12 ARG 1 2HH1 ARG 1 -1.894 4.185 -7.060 12 HH21 ARG 1 1HH2 ARG 1 -0.804 1.051 -8.022 13 HH22 ARG 1 2HH2 ARG 1 -2.149 2.138 -7.918 14 H SER 2 H SER 2 7.497 2.678 -3.811 15 HA SER 2 HA SER 2 7.849 4.495 -1.719 16 HB2 SER 2 1HB SER 2 9.909 3.624 -3.755 17 HB3 SER 2 2HB SER 2 10.236 4.300 -2.163 18 HG SER 2 HG SER 2 8.807 2.450 -1.455 19 H LEU 3 H LEU 3 7.886 5.038 -5.200 20 HA LEU 3 HA LEU 3 9.187 7.518 -5.265 21 HB2 LEU 3 1HB LEU 3 7.126 6.197 -7.005 22 HB3 LEU 3 2HB LEU 3 7.554 7.876 -7.299 23 HG LEU 3 HG LEU 3 8.858 6.285 -8.691 24 HD11 LEU 3 1HD1 LEU 3 10.716 7.592 -6.712 25 HD12 LEU 3 2HD1 LEU 3 9.734 8.540 -7.828 26 HD13 LEU 3 3HD1 LEU 3 10.923 7.397 -8.452 27 HD21 LEU 3 1HD2 LEU 3 10.148 5.419 -6.090 28 HD22 LEU 3 2HD2 LEU 3 10.517 4.825 -7.709 29 HD23 LEU 3 3HD2 LEU 3 8.959 4.456 -6.968 30 H LEU 4 H LEU 4 5.793 6.712 -4.643 31 HA LEU 4 HA LEU 4 4.762 9.327 -4.584 32 HB2 LEU 4 1HB LEU 4 3.635 6.919 -4.403 33 HB3 LEU 4 2HB LEU 4 3.739 7.255 -2.682 34 HG LEU 4 HG LEU 4 1.570 7.960 -3.491 35 HD11 LEU 4 1HD1 LEU 4 1.491 10.131 -2.617 36 HD12 LEU 4 2HD1 LEU 4 3.079 10.551 -3.261 37 HD13 LEU 4 3HD1 LEU 4 2.947 9.463 -1.879 38 HD21 LEU 4 1HD2 LEU 4 1.201 9.322 -5.360 39 HD22 LEU 4 2HD2 LEU 4 2.527 8.286 -5.887 40 HD23 LEU 4 3HD2 LEU 4 2.855 9.936 -5.358 41 H GLU 5 H GLU 5 6.383 7.396 -2.102 42 HA GLU 5 HA GLU 5 5.813 9.004 0.126 43 HB2 GLU 5 1HB GLU 5 6.796 6.730 0.230 44 HB3 GLU 5 2HB GLU 5 8.316 7.384 -0.379 45 HG2 GLU 5 1HG GLU 5 8.500 7.290 2.016 46 HG3 GLU 5 2HG GLU 5 8.311 8.984 1.577 47 H GLY 6 H GLY 6 8.293 9.323 -2.370 48 HA2 GLY 6 1HA GLY 6 8.940 11.583 -2.990 49 HA3 GLY 6 2HA GLY 6 8.890 12.016 -1.290 50 H GLU 7 H GLU 7 10.357 8.972 -2.137 51 HA GLU 7 HA GLU 7 13.048 10.190 -1.856 52 HB2 GLU 7 1HB GLU 7 12.066 7.473 -0.963 53 HB3 GLU 7 2HB GLU 7 13.759 7.965 -0.966 54 HG2 GLU 7 1HG GLU 7 13.011 8.401 1.240 55 HG3 GLU 7 2HG GLU 7 13.024 9.970 0.446 56 H ILE 8 H ILE 8 14.740 9.270 -3.094 57 HA ILE 8 HA ILE 8 13.781 8.258 -5.663 58 HB ILE 8 HB ILE 8 15.217 10.260 -5.634 59 HG12 ILE 8 1HG1 ILE 8 16.633 7.862 -6.833 60 HG13 ILE 8 2HG1 ILE 8 15.243 8.672 -7.557 61 HG21 ILE 8 1HG2 ILE 8 17.329 8.393 -4.515 62 HG22 ILE 8 2HG2 ILE 8 16.554 9.708 -3.633 63 HG23 ILE 8 3HG2 ILE 8 17.593 10.064 -5.010 64 HD11 ILE 8 1HD1 ILE 8 16.639 10.832 -7.391 65 HD12 ILE 8 2HD1 ILE 8 17.111 9.661 -8.623 66 HD13 ILE 8 3HD1 ILE 8 18.019 9.768 -7.115 67 HA PRO 9 HA PRO 9 15.185 4.122 -4.697 68 HB2 PRO 9 1HB PRO 9 16.113 3.880 -7.512 69 HB3 PRO 9 2HB PRO 9 14.975 2.867 -6.605 70 HG2 PRO 9 1HG PRO 9 14.135 4.548 -8.480 71 HG3 PRO 9 2HG PRO 9 13.200 4.266 -6.999 72 HD2 PRO 9 1HD PRO 9 14.914 6.612 -7.721 73 HD3 PRO 9 2HD PRO 9 13.377 6.569 -6.827 74 H PHE 10 H PHE 10 16.930 4.766 -3.360 75 HA PHE 10 HA PHE 10 19.589 4.658 -4.666 76 HB2 PHE 10 1HB PHE 10 18.900 6.890 -3.660 77 HB3 PHE 10 2HB PHE 10 18.953 6.098 -2.096 78 HD1 PHE 10 HD1 PHE 10 21.029 6.823 -5.119 79 HD2 PHE 10 HD2 PHE 10 20.977 5.950 -0.914 80 HE1 PHE 10 HE1 PHE 10 23.467 7.259 -5.000 81 HE2 PHE 10 HE2 PHE 10 23.415 6.386 -0.794 82 HZ PHE 10 HZ PHE 10 24.660 7.041 -2.836 83 HA PRO 11 HA PRO 11 19.035 0.776 -2.121 84 HB2 PRO 11 1HB PRO 11 21.668 0.430 -3.508 85 HB3 PRO 11 2HB PRO 11 20.399 -0.768 -3.185 86 HG2 PRO 11 1HG PRO 11 20.668 0.323 -5.584 87 HG3 PRO 11 2HG PRO 11 19.068 -0.023 -4.903 88 HD2 PRO 11 1HD PRO 11 20.396 2.598 -5.307 89 HD3 PRO 11 2HD PRO 11 18.665 2.212 -5.207 90 HA PRO 12 HA PRO 12 21.824 3.066 0.779 91 HB2 PRO 12 1HB PRO 12 20.820 1.982 3.105 92 HB3 PRO 12 2HB PRO 12 20.130 3.400 2.292 93 HG2 PRO 12 1HG PRO 12 19.242 0.563 2.216 94 HG3 PRO 12 2HG PRO 12 18.278 2.051 2.291 95 HD2 PRO 12 1HD PRO 12 18.605 0.677 -0.022 96 HD3 PRO 12 2HD PRO 12 18.444 2.446 0.015 97 H THR 13 H THR 13 20.934 -0.359 1.291 98 HA THR 13 HA THR 13 23.278 -1.067 2.698 99 HB THR 13 HB THR 13 22.622 -3.381 2.253 100 HG1 THR 13 HG1 THR 13 21.778 -3.654 0.356 101 HG21 THR 13 1HG2 THR 13 21.414 -2.057 3.975 102 HG22 THR 13 2HG2 THR 13 20.385 -3.286 3.236 103 HG23 THR 13 3HG2 THR 13 20.224 -1.596 2.756 104 H SER 14 H SER 14 22.856 -0.469 -0.672 105 HA SER 14 HA SER 14 24.820 -2.425 -1.568 106 HB2 SER 14 1HB SER 14 23.656 -0.148 -3.178 107 HB3 SER 14 2HB SER 14 24.365 -1.644 -3.774 108 HG SER 14 HG SER 14 22.406 -2.395 -3.680 109 H ILE 15 H ILE 15 24.474 1.097 -1.470 110 HA ILE 15 HA ILE 15 27.165 1.765 -2.006 111 HB ILE 15 HB ILE 15 25.209 3.242 -0.228 112 HG12 ILE 15 1HG1 ILE 15 24.209 2.843 -2.423 113 HG13 ILE 15 2HG1 ILE 15 24.663 4.534 -2.273 114 HG21 ILE 15 1HG2 ILE 15 27.767 4.018 -1.632 115 HG22 ILE 15 2HG2 ILE 15 27.369 4.176 0.079 116 HG23 ILE 15 3HG2 ILE 15 26.585 5.218 -1.109 117 HD11 ILE 15 1HD1 ILE 15 26.938 3.333 -3.384 118 HD12 ILE 15 2HD1 ILE 15 25.730 4.282 -4.247 119 HD13 ILE 15 3HD1 ILE 15 25.587 2.528 -4.179 120 H LEU 16 H LEU 16 25.457 0.917 0.983 121 HA LEU 16 HA LEU 16 27.548 1.413 2.811 122 HB2 LEU 16 1HB LEU 16 25.195 0.884 3.443 123 HB3 LEU 16 2HB LEU 16 25.470 -0.786 2.947 124 HG LEU 16 HG LEU 16 27.424 -0.826 4.578 125 HD11 LEU 16 1HD1 LEU 16 27.901 1.444 4.989 126 HD12 LEU 16 2HD1 LEU 16 27.055 0.939 6.452 127 HD13 LEU 16 3HD1 LEU 16 26.201 1.856 5.210 128 HD21 LEU 16 1HD2 LEU 16 25.924 -1.076 6.563 129 HD22 LEU 16 2HD2 LEU 16 25.297 -1.890 5.130 130 HD23 LEU 16 3HD2 LEU 16 24.620 -0.340 5.630 131 H LEU 17 H LEU 17 26.874 -1.342 0.702 132 HA LEU 17 HA LEU 17 28.662 -3.183 1.880 133 HB2 LEU 17 1HB LEU 17 26.882 -3.782 0.241 134 HB3 LEU 17 2HB LEU 17 27.833 -3.008 -1.027 135 HG LEU 17 HG LEU 17 29.744 -4.558 -0.386 136 HD11 LEU 17 1HD1 LEU 17 27.516 -5.661 1.320 137 HD12 LEU 17 2HD1 LEU 17 29.185 -5.316 1.775 138 HD13 LEU 17 3HD1 LEU 17 28.818 -6.704 0.750 139 HD21 LEU 17 1HD2 LEU 17 27.127 -5.696 -1.415 140 HD22 LEU 17 2HD2 LEU 17 28.670 -6.545 -1.518 141 HD23 LEU 17 3HD2 LEU 17 28.444 -5.020 -2.375 142 H LEU 18 H LEU 18 29.067 -0.906 -0.814 143 HA LEU 18 HA LEU 18 31.750 -1.513 -1.412 144 HB2 LEU 18 1HB LEU 18 30.097 0.985 -1.750 145 HB3 LEU 18 2HB LEU 18 31.797 0.935 -2.218 146 HG LEU 18 HG LEU 18 31.159 -1.218 -3.517 147 HD11 LEU 18 1HD1 LEU 18 28.732 -1.042 -4.319 148 HD12 LEU 18 2HD1 LEU 18 28.464 0.018 -2.935 149 HD13 LEU 18 3HD1 LEU 18 28.970 -1.653 -2.682 150 HD21 LEU 18 1HD2 LEU 18 31.606 1.225 -4.361 151 HD22 LEU 18 2HD2 LEU 18 29.863 1.260 -4.627 152 HD23 LEU 18 3HD2 LEU 18 30.857 0.063 -5.456 153 H LEU 19 H LEU 19 30.319 0.785 0.884 154 HA LEU 19 HA LEU 19 32.730 1.946 1.782 155 HB2 LEU 19 1HB LEU 19 30.133 1.496 3.275 156 HB3 LEU 19 2HB LEU 19 31.442 2.544 3.820 157 HG LEU 19 HG LEU 19 30.028 2.862 1.160 158 HD11 LEU 19 1HD1 LEU 19 28.395 3.344 2.839 159 HD12 LEU 19 2HD1 LEU 19 29.043 4.906 2.337 160 HD13 LEU 19 3HD1 LEU 19 29.579 4.174 3.849 161 HD21 LEU 19 1HD2 LEU 19 31.092 5.197 1.451 162 HD22 LEU 19 2HD2 LEU 19 32.174 3.869 1.033 163 HD23 LEU 19 3HD2 LEU 19 32.089 4.447 2.698 164 H ALA 20 H ALA 20 31.046 -1.006 2.754 165 HA ALA 20 HA ALA 20 32.509 -1.502 5.117 166 HB1 ALA 20 1HB ALA 20 31.800 -3.929 4.648 167 HB2 ALA 20 2HB ALA 20 30.969 -3.279 3.234 168 HB3 ALA 20 3HB ALA 20 30.517 -2.736 4.850 169 H CYS 21 H CYS 21 33.012 -2.592 1.769 170 HA CYS 21 HA CYS 21 35.174 -4.319 2.290 171 HB2 CYS 21 1HB CYS 21 34.505 -2.729 -0.198 172 HB3 CYS 21 2HB CYS 21 35.710 -4.015 -0.128 173 HG CYS 21 HG CYS 21 33.819 -5.563 -0.519 174 H ILE 22 H ILE 22 35.107 -0.889 1.366 175 HA ILE 22 HA ILE 22 37.892 -0.552 1.107 176 HB ILE 22 HB ILE 22 35.812 1.502 1.914 177 HG12 ILE 22 1HG1 ILE 22 36.921 0.825 -0.828 178 HG13 ILE 22 2HG1 ILE 22 35.364 0.252 -0.229 179 HG21 ILE 22 1HG2 ILE 22 38.176 2.203 2.304 180 HG22 ILE 22 2HG2 ILE 22 37.403 3.137 1.023 181 HG23 ILE 22 3HG2 ILE 22 38.534 1.847 0.615 182 HD11 ILE 22 1HD1 ILE 22 36.209 3.119 -0.710 183 HD12 ILE 22 2HD1 ILE 22 34.752 2.683 0.182 184 HD13 ILE 22 3HD1 ILE 22 34.916 2.229 -1.514 185 H PHE 23 H PHE 23 35.746 -0.159 3.906 186 HA PHE 23 HA PHE 23 37.626 1.020 5.640 187 HB2 PHE 23 1HB PHE 23 35.172 0.958 5.995 188 HB3 PHE 23 2HB PHE 23 35.284 -0.758 6.326 189 HD1 PHE 23 HD1 PHE 23 36.384 2.599 7.513 190 HD2 PHE 23 HD2 PHE 23 35.814 -1.544 8.495 191 HE1 PHE 23 HE1 PHE 23 36.798 3.109 9.904 192 HE2 PHE 23 HE2 PHE 23 36.231 -1.034 10.886 193 HZ PHE 23 HZ PHE 23 36.722 1.292 11.590 194 H LEU 24 H LEU 24 36.682 -2.380 5.191 195 HA LEU 24 HA LEU 24 38.225 -3.400 7.323 196 HB2 LEU 24 1HB LEU 24 37.308 -4.773 4.786 197 HB3 LEU 24 2HB LEU 24 37.927 -5.593 6.219 198 HG LEU 24 HG LEU 24 35.506 -3.766 6.220 199 HD11 LEU 24 1HD1 LEU 24 35.160 -5.854 4.891 200 HD12 LEU 24 2HD1 LEU 24 34.173 -5.809 6.353 201 HD13 LEU 24 3HD1 LEU 24 35.634 -6.796 6.305 202 HD21 LEU 24 1HD2 LEU 24 35.150 -5.032 8.429 203 HD22 LEU 24 2HD2 LEU 24 36.449 -3.839 8.407 204 HD23 LEU 24 3HD2 LEU 24 36.826 -5.556 8.270 205 H ILE 25 H ILE 25 38.965 -3.042 3.858 206 HA ILE 25 HA ILE 25 41.437 -4.421 4.033 207 HB ILE 25 HB ILE 25 41.905 -3.542 1.797 208 HG12 ILE 25 1HG1 ILE 25 39.324 -1.981 2.122 209 HG13 ILE 25 2HG1 ILE 25 40.930 -1.255 2.165 210 HG21 ILE 25 1HG2 ILE 25 39.022 -4.397 2.185 211 HG22 ILE 25 2HG2 ILE 25 40.408 -5.487 2.127 212 HG23 ILE 25 3HG2 ILE 25 39.959 -4.554 0.699 213 HD11 ILE 25 1HD1 ILE 25 40.309 -0.967 -0.074 214 HD12 ILE 25 2HD1 ILE 25 39.508 -2.536 -0.153 215 HD13 ILE 25 3HD1 ILE 25 41.268 -2.445 -0.129 216 H LYS 26 H LYS 26 40.637 -0.974 4.335 217 HA LYS 26 HA LYS 26 43.271 0.007 4.281 218 HB2 LYS 26 1HB LYS 26 40.797 1.042 5.675 219 HB3 LYS 26 2HB LYS 26 42.323 1.925 5.605 220 HG2 LYS 26 1HG LYS 26 42.253 1.978 3.183 221 HG3 LYS 26 2HG LYS 26 40.838 0.928 3.158 222 HD2 LYS 26 1HD LYS 26 39.985 3.124 2.843 223 HD3 LYS 26 2HD LYS 26 39.655 2.740 4.530 224 HE2 LYS 26 1HE LYS 26 40.597 4.823 4.813 225 HE3 LYS 26 2HE LYS 26 42.070 3.860 4.858 226 HZ1 LYS 26 1HZ LYS 26 42.199 5.766 3.332 227 HZ2 LYS 26 2HZ LYS 26 40.943 5.093 2.406 228 HZ3 LYS 26 3HZ LYS 26 42.429 4.282 2.544 229 H ILE 27 H ILE 27 41.310 -1.253 6.952 230 HA ILE 27 HA ILE 27 43.143 -0.608 9.013 231 HB ILE 27 HB ILE 27 41.102 -2.847 8.933 232 HG12 ILE 27 1HG1 ILE 27 40.865 -0.046 10.068 233 HG13 ILE 27 2HG1 ILE 27 40.248 -0.506 8.485 234 HG21 ILE 27 1HG2 ILE 27 42.417 -1.420 11.269 235 HG22 ILE 27 2HG2 ILE 27 42.783 -3.065 10.751 236 HG23 ILE 27 3HG2 ILE 27 41.185 -2.677 11.387 237 HD11 ILE 27 1HD1 ILE 27 38.780 -0.623 10.771 238 HD12 ILE 27 2HD1 ILE 27 39.401 -2.270 10.723 239 HD13 ILE 27 3HD1 ILE 27 38.473 -1.636 9.364 240 H LEU 28 H LEU 28 42.672 -3.598 7.135 241 HA LEU 28 HA LEU 28 44.596 -5.138 8.498 242 HB2 LEU 28 1HB LEU 28 43.676 -5.364 5.622 243 HB3 LEU 28 2HB LEU 28 44.538 -6.611 6.523 244 HG LEU 28 HG LEU 28 41.860 -5.453 7.351 245 HD11 LEU 28 1HD1 LEU 28 42.623 -7.934 5.805 246 HD12 LEU 28 2HD1 LEU 28 41.439 -6.702 5.373 247 HD13 LEU 28 3HD1 LEU 28 41.102 -7.824 6.691 248 HD21 LEU 28 1HD2 LEU 28 42.918 -6.298 9.291 249 HD22 LEU 28 2HD2 LEU 28 43.667 -7.628 8.407 250 HD23 LEU 28 3HD2 LEU 28 41.934 -7.651 8.733 251 H ALA 29 H ALA 29 44.913 -2.934 5.764 252 HA ALA 29 HA ALA 29 47.411 -3.680 4.820 253 HB1 ALA 29 1HB ALA 29 45.799 -1.964 3.851 254 HB2 ALA 29 2HB ALA 29 47.513 -1.561 3.761 255 HB3 ALA 29 3HB ALA 29 46.495 -0.813 4.990 256 H ALA 30 H ALA 30 46.626 -1.652 7.615 257 HA ALA 30 HA ALA 30 49.425 -1.819 8.454 258 HB1 ALA 30 1HB ALA 30 47.970 0.815 8.125 259 HB2 ALA 30 2HB ALA 30 49.332 0.253 7.156 260 HB3 ALA 30 3HB ALA 30 49.555 0.609 8.869 261 H SER 31 H SER 31 47.142 -3.107 9.507 262 HA SER 31 HA SER 31 45.867 -1.782 11.617 263 HB2 SER 31 1HB SER 31 45.336 -3.981 12.477 264 HB3 SER 31 2HB SER 31 45.239 -4.025 10.720 265 HG SER 31 HG SER 31 47.214 -5.051 12.453 266 H ALA 32 H ALA 32 49.005 -3.419 11.501 267 HA ALA 32 HA ALA 32 49.513 -3.437 14.278 268 HB1 ALA 32 1HB ALA 32 51.386 -3.389 11.906 269 HB2 ALA 32 2HB ALA 32 50.859 -4.799 12.825 270 HB3 ALA 32 3HB ALA 32 51.922 -3.607 13.572 271 H LEU 33 H LEU 33 50.367 -1.072 11.752 272 HA LEU 33 HA LEU 33 51.879 0.645 13.389 273 HB2 LEU 33 1HB LEU 33 51.825 0.713 10.899 274 HB3 LEU 33 2HB LEU 33 50.205 1.405 10.987 275 HG LEU 33 HG LEU 33 51.188 3.247 12.433 276 HD11 LEU 33 1HD1 LEU 33 53.683 1.764 11.622 277 HD12 LEU 33 2HD1 LEU 33 53.231 2.379 13.213 278 HD13 LEU 33 3HD1 LEU 33 53.736 3.497 11.948 279 HD21 LEU 33 1HD2 LEU 33 52.226 2.897 9.603 280 HD22 LEU 33 2HD2 LEU 33 52.199 4.427 10.480 281 HD23 LEU 33 3HD2 LEU 33 50.685 3.621 10.066 282 H TRP 34 H TRP 34 48.409 0.524 12.714 283 HA TRP 34 HA TRP 34 47.710 2.986 13.897 284 HB2 TRP 34 1HB TRP 34 46.265 1.604 12.400 285 HB3 TRP 34 2HB TRP 34 46.035 0.482 13.725 286 HD1 TRP 34 HD1 TRP 34 44.233 1.046 15.478 287 HE1 TRP 34 HE1 TRP 34 42.547 2.973 15.764 288 HE3 TRP 34 HE3 TRP 34 46.010 4.300 11.967 289 HZ2 TRP 34 HZ2 TRP 34 42.019 5.558 14.649 290 HZ3 TRP 34 HZ3 TRP 34 44.901 6.481 11.600 291 HH2 TRP 34 HH2 TRP 34 42.910 7.116 12.933 292 H ALA 35 H ALA 35 47.780 -0.309 15.228 293 HA ALA 35 HA ALA 35 46.752 0.377 17.774 294 HB1 ALA 35 1HB ALA 35 47.995 -1.833 18.414 295 HB2 ALA 35 2HB ALA 35 48.270 -1.964 16.676 296 HB3 ALA 35 3HB ALA 35 46.623 -1.896 17.307 297 H ALA 36 H ALA 36 50.088 0.000 16.608 298 HA ALA 36 HA ALA 36 51.348 0.367 19.105 299 HB1 ALA 36 1HB ALA 36 52.276 0.676 16.259 300 HB2 ALA 36 2HB ALA 36 52.658 -0.606 17.408 301 HB3 ALA 36 3HB ALA 36 53.345 1.005 17.622 302 H ALA 37 H ALA 37 50.226 2.675 16.688 303 HA ALA 37 HA ALA 37 51.744 4.894 17.554 304 HB1 ALA 37 1HB ALA 37 49.117 4.690 16.080 305 HB2 ALA 37 2HB ALA 37 50.717 5.000 15.404 306 HB3 ALA 37 3HB ALA 37 49.927 6.226 16.395 307 H TRP 38 H TRP 38 48.302 4.140 18.186 308 HA TRP 38 HA TRP 38 47.957 6.253 20.044 309 HB2 TRP 38 1HB TRP 38 46.403 3.708 19.592 310 HB3 TRP 38 2HB TRP 38 45.900 4.968 20.702 311 HD1 TRP 38 HD1 TRP 38 45.806 3.956 17.123 312 HE1 TRP 38 HE1 TRP 38 44.652 5.781 15.717 313 HE3 TRP 38 HE3 TRP 38 45.628 7.732 20.555 314 HZ2 TRP 38 HZ2 TRP 38 43.764 8.489 16.009 315 HZ3 TRP 38 HZ3 TRP 38 44.624 9.918 19.969 316 HH2 TRP 38 HH2 TRP 38 43.694 10.303 17.705 317 H HIS 39 H HIS 39 48.647 2.795 20.465 318 HA HIS 39 HA HIS 39 49.379 3.354 23.282 319 HB2 HIS 39 1HB HIS 39 47.955 0.935 22.170 320 HB3 HIS 39 2HB HIS 39 48.595 1.050 23.798 321 HD1 HIS 39 HD1 HIS 39 45.599 0.567 23.378 322 HD2 HIS 39 HD2 HIS 39 47.264 4.366 23.796 323 HE1 HIS 39 HE1 HIS 39 43.731 2.085 24.161 324 H GLY 40 H GLY 40 51.163 2.265 24.088 325 HA2 GLY 40 1HA GLY 40 53.059 1.306 22.114 326 HA3 GLY 40 2HA GLY 40 53.352 1.502 23.841 327 H GLN 41 H GLN 41 54.434 -0.690 23.170 328 HA GLN 41 HA GLN 41 52.498 -2.897 23.214 329 HB2 GLN 41 1HB GLN 41 54.389 -2.918 21.577 330 HB3 GLN 41 2HB GLN 41 55.509 -3.016 22.937 331 HG2 GLN 41 1HG GLN 41 55.172 -5.267 22.246 332 HG3 GLN 41 2HG GLN 41 54.178 -5.073 23.688 333 HE21 GLN 41 1HE2 GLN 41 52.078 -5.831 23.449 334 HE22 GLN 41 2HE2 GLN 41 51.245 -5.942 21.974 335 H LYS 42 H LYS 42 51.874 -3.613 25.135 336 HA LYS 42 HA LYS 42 53.878 -3.851 27.294 337 HB2 LYS 42 1HB LYS 42 51.029 -2.868 27.606 338 HB3 LYS 42 2HB LYS 42 52.167 -3.161 28.923 339 HG2 LYS 42 1HG LYS 42 53.734 -1.524 27.700 340 HG3 LYS 42 2HG LYS 42 52.315 -1.058 26.763 341 HD2 LYS 42 1HD LYS 42 51.113 -0.575 28.898 342 HD3 LYS 42 2HD LYS 42 52.602 -0.922 29.778 343 HE2 LYS 42 1HE LYS 42 53.658 0.841 28.146 344 HE3 LYS 42 2HE LYS 42 51.989 1.369 27.933 345 HZ1 LYS 42 1HZ LYS 42 52.955 0.933 30.659 346 HZ2 LYS 42 2HZ LYS 42 51.830 2.063 30.075 347 HZ3 LYS 42 3HZ LYS 42 53.493 2.320 29.844 348 HA PRO 43 HA PRO 43 51.597 -7.807 26.700 349 HB2 PRO 43 1HB PRO 43 53.696 -9.510 26.710 350 HB3 PRO 43 2HB PRO 43 53.241 -8.587 25.262 351 HG2 PRO 43 1HG PRO 43 55.451 -8.120 27.182 352 HG3 PRO 43 2HG PRO 43 55.402 -7.872 25.429 353 HD2 PRO 43 1HD PRO 43 55.110 -5.855 27.330 354 HD3 PRO 43 2HD PRO 43 54.599 -5.743 25.633 355 H GLY 44 H GLY 44 51.842 -9.951 28.046 356 HA2 GLY 44 1HA GLY 44 52.413 -10.985 30.120 357 HA3 GLY 44 2HA GLY 44 52.778 -9.398 30.781 358 H THR 45 H THR 45 50.146 -8.393 29.548 359 HA THR 45 HA THR 45 48.317 -9.591 31.552 360 HB THR 45 HB THR 45 47.311 -7.392 31.848 361 HG1 THR 45 HG1 THR 45 49.367 -6.406 30.178 362 HG21 THR 45 1HG2 THR 45 50.252 -6.854 32.068 363 HG22 THR 45 2HG2 THR 45 49.544 -8.162 33.016 364 HG23 THR 45 3HG2 THR 45 48.964 -6.509 33.223 365 H HIS 46 H HIS 46 46.024 -9.393 31.009 366 HA HIS 46 HA HIS 46 45.327 -8.877 28.238 367 HB2 HIS 46 1HB HIS 46 45.140 -11.648 29.422 368 HB3 HIS 46 2HB HIS 46 44.352 -11.152 27.937 369 HD1 HIS 46 HD1 HIS 46 47.674 -12.067 29.378 370 HD2 HIS 46 HD2 HIS 46 46.134 -10.810 25.714 371 HE1 HIS 46 HE1 HIS 46 49.501 -12.444 27.668 Start of MODEL 7 1 H ARG 1 3H ARG 1 31.341 5.842 -10.824 2 HA ARG 1 HA ARG 1 29.314 5.245 -11.846 3 HB2 ARG 1 1HB ARG 1 28.450 6.447 -13.792 4 HB3 ARG 1 2HB ARG 1 28.659 7.558 -12.442 5 HG2 ARG 1 1HG ARG 1 30.898 8.194 -13.410 6 HG3 ARG 1 2HG ARG 1 30.498 7.223 -14.828 7 HD2 ARG 1 1HD ARG 1 28.429 8.594 -15.126 8 HD3 ARG 1 2HD ARG 1 28.955 9.615 -13.790 9 HE ARG 1 HE ARG 1 31.030 9.442 -15.703 10 HH11 ARG 1 1HH1 ARG 1 27.854 10.893 -15.340 11 HH12 ARG 1 2HH1 ARG 1 28.213 12.191 -16.431 12 HH21 ARG 1 1HH2 ARG 1 31.433 11.134 -17.097 13 HH22 ARG 1 2HH2 ARG 1 30.214 12.324 -17.413 14 H SER 2 H SER 2 32.012 4.409 -11.915 15 HA SER 2 HA SER 2 33.087 4.065 -14.485 16 HB2 SER 2 1HB SER 2 34.494 2.407 -13.516 17 HB3 SER 2 2HB SER 2 34.199 3.587 -12.245 18 HG SER 2 HG SER 2 33.500 0.956 -12.405 19 H LEU 3 H LEU 3 32.991 2.351 -15.955 20 HA LEU 3 HA LEU 3 30.451 1.213 -16.398 21 HB2 LEU 3 1HB LEU 3 33.126 0.340 -17.515 22 HB3 LEU 3 2HB LEU 3 31.544 -0.070 -18.176 23 HG LEU 3 HG LEU 3 32.604 2.756 -17.871 24 HD11 LEU 3 1HD1 LEU 3 33.891 1.742 -19.595 25 HD12 LEU 3 2HD1 LEU 3 32.592 2.588 -20.438 26 HD13 LEU 3 3HD1 LEU 3 32.502 0.841 -20.207 27 HD21 LEU 3 1HD2 LEU 3 30.245 2.888 -17.836 28 HD22 LEU 3 2HD2 LEU 3 30.065 1.546 -18.966 29 HD23 LEU 3 3HD2 LEU 3 30.640 3.111 -19.540 30 H LEU 4 H LEU 4 33.325 -0.039 -14.777 31 HA LEU 4 HA LEU 4 32.660 -2.765 -14.737 32 HB2 LEU 4 1HB LEU 4 34.869 -1.817 -14.079 33 HB3 LEU 4 2HB LEU 4 34.132 -1.211 -12.596 34 HG LEU 4 HG LEU 4 33.413 -3.593 -12.099 35 HD11 LEU 4 1HD1 LEU 4 35.137 -4.031 -14.539 36 HD12 LEU 4 2HD1 LEU 4 33.527 -4.668 -14.204 37 HD13 LEU 4 3HD1 LEU 4 34.924 -5.296 -13.329 38 HD21 LEU 4 1HD2 LEU 4 35.523 -4.168 -11.140 39 HD22 LEU 4 2HD2 LEU 4 35.498 -2.405 -11.191 40 HD23 LEU 4 3HD2 LEU 4 36.411 -3.309 -12.399 41 H GLU 5 H GLU 5 31.724 -0.111 -12.588 42 HA GLU 5 HA GLU 5 30.505 -1.643 -10.566 43 HB2 GLU 5 1HB GLU 5 31.006 0.794 -10.406 44 HB3 GLU 5 2HB GLU 5 29.683 1.108 -11.529 45 HG2 GLU 5 1HG GLU 5 28.804 1.402 -9.312 46 HG3 GLU 5 2HG GLU 5 28.154 -0.113 -9.931 47 H GLY 6 H GLY 6 29.223 -0.326 -13.598 48 HA2 GLY 6 1HA GLY 6 27.560 -1.306 -14.929 49 HA3 GLY 6 2HA GLY 6 27.140 -2.368 -13.590 50 H GLU 7 H GLU 7 26.830 -0.323 -11.603 51 HA GLU 7 HA GLU 7 24.592 1.289 -12.638 52 HB2 GLU 7 1HB GLU 7 24.473 -0.514 -10.208 53 HB3 GLU 7 2HB GLU 7 23.222 0.637 -10.685 54 HG2 GLU 7 1HG GLU 7 23.013 -0.543 -12.867 55 HG3 GLU 7 2HG GLU 7 24.192 -1.726 -12.316 56 H ILE 8 H ILE 8 23.904 2.968 -11.085 57 HA ILE 8 HA ILE 8 26.178 4.297 -9.938 58 HB ILE 8 HB ILE 8 23.220 4.962 -9.826 59 HG12 ILE 8 1HG1 ILE 8 25.384 6.114 -11.607 60 HG13 ILE 8 2HG1 ILE 8 24.281 4.834 -12.117 61 HG21 ILE 8 1HG2 ILE 8 25.629 6.732 -9.322 62 HG22 ILE 8 2HG2 ILE 8 24.591 6.071 -8.059 63 HG23 ILE 8 3HG2 ILE 8 23.935 7.215 -9.229 64 HD11 ILE 8 1HD1 ILE 8 23.383 6.975 -12.845 65 HD12 ILE 8 2HD1 ILE 8 23.511 7.622 -11.210 66 HD13 ILE 8 3HD1 ILE 8 22.358 6.335 -11.561 67 HA PRO 9 HA PRO 9 25.424 2.458 -5.922 68 HB2 PRO 9 1HB PRO 9 27.053 4.046 -4.364 69 HB3 PRO 9 2HB PRO 9 27.627 2.707 -5.372 70 HG2 PRO 9 1HG PRO 9 27.946 5.569 -5.743 71 HG3 PRO 9 2HG PRO 9 28.815 4.227 -6.499 72 HD2 PRO 9 1HD PRO 9 26.731 5.838 -7.639 73 HD3 PRO 9 2HD PRO 9 27.606 4.492 -8.395 74 H PHE 10 H PHE 10 23.202 3.364 -6.117 75 HA PHE 10 HA PHE 10 22.725 5.687 -4.375 76 HB2 PHE 10 1HB PHE 10 21.703 5.099 -6.860 77 HB3 PHE 10 2HB PHE 10 20.410 4.571 -5.807 78 HD1 PHE 10 HD1 PHE 10 19.230 6.181 -4.361 79 HD2 PHE 10 HD2 PHE 10 22.304 7.426 -7.089 80 HE1 PHE 10 HE1 PHE 10 18.476 8.533 -4.136 81 HE2 PHE 10 HE2 PHE 10 21.552 9.778 -6.863 82 HZ PHE 10 HZ PHE 10 19.637 10.332 -5.386 83 HA PRO 11 HA PRO 11 19.508 2.313 -2.817 84 HB2 PRO 11 1HB PRO 11 21.304 -0.052 -3.186 85 HB3 PRO 11 2HB PRO 11 19.533 0.044 -3.263 86 HG2 PRO 11 1HG PRO 11 21.003 -0.128 -5.467 87 HG3 PRO 11 2HG PRO 11 19.530 0.857 -5.407 88 HD2 PRO 11 1HD PRO 11 22.373 1.737 -5.440 89 HD3 PRO 11 2HD PRO 11 20.925 2.563 -6.052 90 HA PRO 12 HA PRO 12 21.626 2.880 1.004 91 HB2 PRO 12 1HB PRO 12 20.343 1.067 2.674 92 HB3 PRO 12 2HB PRO 12 19.725 2.674 2.253 93 HG2 PRO 12 1HG PRO 12 19.001 0.022 1.133 94 HG3 PRO 12 2HG PRO 12 17.975 1.428 1.476 95 HD2 PRO 12 1HD PRO 12 18.756 0.832 -1.042 96 HD3 PRO 12 2HD PRO 12 18.549 2.512 -0.497 97 H THR 13 H THR 13 20.893 -0.622 0.847 98 HA THR 13 HA THR 13 23.188 -1.442 2.226 99 HB THR 13 HB THR 13 22.704 -3.680 1.362 100 HG1 THR 13 HG1 THR 13 21.918 -3.765 -0.564 101 HG21 THR 13 1HG2 THR 13 21.319 -2.832 3.190 102 HG22 THR 13 2HG2 THR 13 20.334 -3.808 2.102 103 HG23 THR 13 3HG2 THR 13 20.239 -2.049 2.036 104 H SER 14 H SER 14 23.066 -0.180 -0.950 105 HA SER 14 HA SER 14 25.079 -1.967 -2.072 106 HB2 SER 14 1HB SER 14 23.235 -1.058 -3.490 107 HB3 SER 14 2HB SER 14 23.876 0.560 -3.235 108 HG SER 14 HG SER 14 25.338 0.145 -4.685 109 H ILE 15 H ILE 15 24.741 1.482 -1.348 110 HA ILE 15 HA ILE 15 27.502 2.101 -1.647 111 HB ILE 15 HB ILE 15 25.730 3.816 -1.735 112 HG12 ILE 15 1HG1 ILE 15 27.571 4.370 0.597 113 HG13 ILE 15 2HG1 ILE 15 28.158 4.271 -1.064 114 HG21 ILE 15 1HG2 ILE 15 24.264 2.949 0.032 115 HG22 ILE 15 2HG2 ILE 15 24.721 4.616 0.374 116 HG23 ILE 15 3HG2 ILE 15 25.498 3.295 1.244 117 HD11 ILE 15 1HD1 ILE 15 26.550 6.038 -1.725 118 HD12 ILE 15 2HD1 ILE 15 27.666 6.605 -0.483 119 HD13 ILE 15 3HD1 ILE 15 26.015 6.162 -0.048 120 H LEU 16 H LEU 16 25.521 0.965 1.050 121 HA LEU 16 HA LEU 16 27.465 1.328 3.090 122 HB2 LEU 16 1HB LEU 16 25.177 -0.634 2.842 123 HB3 LEU 16 2HB LEU 16 26.153 -0.438 4.298 124 HG LEU 16 HG LEU 16 24.707 1.863 2.966 125 HD11 LEU 16 1HD1 LEU 16 23.210 1.532 5.093 126 HD12 LEU 16 2HD1 LEU 16 23.808 -0.126 5.036 127 HD13 LEU 16 3HD1 LEU 16 22.909 0.535 3.669 128 HD21 LEU 16 1HD2 LEU 16 24.992 2.678 5.441 129 HD22 LEU 16 2HD2 LEU 16 26.379 2.748 4.353 130 HD23 LEU 16 3HD2 LEU 16 26.238 1.433 5.520 131 H LEU 17 H LEU 17 26.895 -1.264 0.750 132 HA LEU 17 HA LEU 17 28.608 -3.171 1.998 133 HB2 LEU 17 1HB LEU 17 27.432 -2.900 -0.753 134 HB3 LEU 17 2HB LEU 17 28.628 -4.151 -0.409 135 HG LEU 17 HG LEU 17 26.268 -3.797 1.421 136 HD11 LEU 17 1HD1 LEU 17 25.359 -3.984 -0.881 137 HD12 LEU 17 2HD1 LEU 17 25.020 -5.432 0.069 138 HD13 LEU 17 3HD1 LEU 17 26.315 -5.444 -1.128 139 HD21 LEU 17 1HD2 LEU 17 27.936 -5.290 2.237 140 HD22 LEU 17 2HD2 LEU 17 28.163 -6.024 0.651 141 HD23 LEU 17 3HD2 LEU 17 26.682 -6.327 1.559 142 H LEU 18 H LEU 18 29.094 -0.853 -0.641 143 HA LEU 18 HA LEU 18 31.766 -1.506 -1.229 144 HB2 LEU 18 1HB LEU 18 30.413 1.201 -1.399 145 HB3 LEU 18 2HB LEU 18 31.906 0.740 -2.216 146 HG LEU 18 HG LEU 18 29.227 -0.622 -2.626 147 HD11 LEU 18 1HD1 LEU 18 29.286 0.499 -4.844 148 HD12 LEU 18 2HD1 LEU 18 30.739 1.366 -4.349 149 HD13 LEU 18 3HD1 LEU 18 29.210 1.662 -3.520 150 HD21 LEU 18 1HD2 LEU 18 30.895 -2.207 -3.152 151 HD22 LEU 18 2HD2 LEU 18 31.992 -0.977 -3.781 152 HD23 LEU 18 3HD2 LEU 18 30.565 -1.442 -4.706 153 H LEU 19 H LEU 19 30.362 0.780 1.094 154 HA LEU 19 HA LEU 19 32.768 1.877 2.058 155 HB2 LEU 19 1HB LEU 19 30.489 2.763 2.546 156 HB3 LEU 19 2HB LEU 19 30.220 1.389 3.618 157 HG LEU 19 HG LEU 19 32.311 2.093 4.871 158 HD11 LEU 19 1HD1 LEU 19 32.013 4.383 2.935 159 HD12 LEU 19 2HD1 LEU 19 33.470 3.490 3.372 160 HD13 LEU 19 3HD1 LEU 19 32.760 4.632 4.513 161 HD21 LEU 19 1HD2 LEU 19 31.143 4.010 6.008 162 HD22 LEU 19 2HD2 LEU 19 30.118 2.592 5.788 163 HD23 LEU 19 3HD2 LEU 19 29.942 3.982 4.717 164 H ALA 20 H ALA 20 30.998 -1.054 2.971 165 HA ALA 20 HA ALA 20 32.442 -1.625 5.328 166 HB1 ALA 20 1HB ALA 20 30.468 -2.848 5.105 167 HB2 ALA 20 2HB ALA 20 31.698 -4.054 4.727 168 HB3 ALA 20 3HB ALA 20 30.802 -3.270 3.426 169 H CYS 21 H CYS 21 32.933 -2.674 1.970 170 HA CYS 21 HA CYS 21 35.029 -4.487 2.518 171 HB2 CYS 21 1HB CYS 21 33.567 -4.015 0.338 172 HB3 CYS 21 2HB CYS 21 34.974 -3.046 -0.094 173 HG CYS 21 HG CYS 21 36.129 -5.155 -0.653 174 H ILE 22 H ILE 22 35.095 -1.108 1.386 175 HA ILE 22 HA ILE 22 37.906 -0.980 1.144 176 HB ILE 22 HB ILE 22 36.363 0.591 0.035 177 HG12 ILE 22 1HG1 ILE 22 38.239 2.090 1.870 178 HG13 ILE 22 2HG1 ILE 22 38.818 1.082 0.543 179 HG21 ILE 22 1HG2 ILE 22 35.443 2.485 1.329 180 HG22 ILE 22 2HG2 ILE 22 36.030 1.746 2.818 181 HG23 ILE 22 3HG2 ILE 22 34.776 0.946 1.871 182 HD11 ILE 22 1HD1 ILE 22 38.432 3.618 0.092 183 HD12 ILE 22 2HD1 ILE 22 36.721 3.187 0.056 184 HD13 ILE 22 3HD1 ILE 22 37.841 2.455 -1.094 185 H PHE 23 H PHE 23 35.774 -0.350 3.895 186 HA PHE 23 HA PHE 23 37.695 0.986 5.492 187 HB2 PHE 23 1HB PHE 23 35.211 0.950 5.870 188 HB3 PHE 23 2HB PHE 23 35.380 -0.697 6.449 189 HD1 PHE 23 HD1 PHE 23 36.192 2.848 7.117 190 HD2 PHE 23 HD2 PHE 23 36.270 -1.165 8.645 191 HE1 PHE 23 HE1 PHE 23 36.711 3.720 9.379 192 HE2 PHE 23 HE2 PHE 23 36.789 -0.294 10.908 193 HZ PHE 23 HZ PHE 23 37.010 2.149 11.274 194 H LEU 24 H LEU 24 36.641 -2.427 5.429 195 HA LEU 24 HA LEU 24 38.276 -3.270 7.562 196 HB2 LEU 24 1HB LEU 24 36.815 -4.616 5.336 197 HB3 LEU 24 2HB LEU 24 38.050 -5.555 6.162 198 HG LEU 24 HG LEU 24 35.787 -5.872 7.128 199 HD11 LEU 24 1HD1 LEU 24 37.394 -4.411 9.194 200 HD12 LEU 24 2HD1 LEU 24 38.047 -5.869 8.446 201 HD13 LEU 24 3HD1 LEU 24 36.523 -5.938 9.330 202 HD21 LEU 24 1HD2 LEU 24 34.894 -3.605 6.737 203 HD22 LEU 24 2HD2 LEU 24 36.027 -2.952 7.919 204 HD23 LEU 24 3HD2 LEU 24 34.755 -4.058 8.434 205 H ILE 25 H ILE 25 38.833 -3.288 4.051 206 HA ILE 25 HA ILE 25 41.336 -4.600 4.203 207 HB ILE 25 HB ILE 25 39.989 -4.493 2.146 208 HG12 ILE 25 1HG1 ILE 25 42.673 -3.182 1.689 209 HG13 ILE 25 2HG1 ILE 25 42.518 -4.862 2.207 210 HG21 ILE 25 1HG2 ILE 25 39.225 -2.171 2.300 211 HG22 ILE 25 2HG2 ILE 25 40.052 -2.447 0.768 212 HG23 ILE 25 3HG2 ILE 25 40.878 -1.596 2.072 213 HD11 ILE 25 1HD1 ILE 25 42.707 -4.618 -0.277 214 HD12 ILE 25 2HD1 ILE 25 41.193 -3.715 -0.266 215 HD13 ILE 25 3HD1 ILE 25 41.214 -5.408 0.230 216 H LYS 26 H LYS 26 40.474 -1.163 4.333 217 HA LYS 26 HA LYS 26 43.051 -0.111 3.963 218 HB2 LYS 26 1HB LYS 26 40.940 1.215 3.929 219 HB3 LYS 26 2HB LYS 26 40.838 1.034 5.680 220 HG2 LYS 26 1HG LYS 26 43.072 2.112 5.895 221 HG3 LYS 26 2HG LYS 26 43.093 2.363 4.149 222 HD2 LYS 26 1HD LYS 26 40.953 3.654 4.366 223 HD3 LYS 26 2HD LYS 26 41.100 3.516 6.118 224 HE2 LYS 26 1HE LYS 26 42.092 5.602 5.665 225 HE3 LYS 26 2HE LYS 26 43.476 4.514 5.776 226 HZ1 LYS 26 1HZ LYS 26 42.275 4.724 3.150 227 HZ2 LYS 26 2HZ LYS 26 43.912 4.706 3.601 228 HZ3 LYS 26 3HZ LYS 26 43.015 6.144 3.712 229 H ILE 27 H ILE 27 41.350 -1.114 6.912 230 HA ILE 27 HA ILE 27 43.385 -0.287 8.712 231 HB ILE 27 HB ILE 27 41.344 -2.483 9.106 232 HG12 ILE 27 1HG1 ILE 27 40.237 -0.397 8.450 233 HG13 ILE 27 2HG1 ILE 27 39.958 -0.721 10.156 234 HG21 ILE 27 1HG2 ILE 27 43.078 -2.525 10.805 235 HG22 ILE 27 2HG2 ILE 27 41.608 -1.854 11.510 236 HG23 ILE 27 3HG2 ILE 27 42.931 -0.784 11.048 237 HD11 ILE 27 1HD1 ILE 27 40.490 1.638 9.858 238 HD12 ILE 27 2HD1 ILE 27 41.971 1.231 8.997 239 HD13 ILE 27 3HD1 ILE 27 41.819 0.861 10.715 240 H LEU 28 H LEU 28 42.681 -3.453 7.239 241 HA LEU 28 HA LEU 28 44.656 -4.912 8.602 242 HB2 LEU 28 1HB LEU 28 42.801 -5.906 7.270 243 HB3 LEU 28 2HB LEU 28 43.632 -5.404 5.797 244 HG LEU 28 HG LEU 28 45.648 -6.714 6.616 245 HD11 LEU 28 1HD1 LEU 28 43.597 -7.481 8.690 246 HD12 LEU 28 2HD1 LEU 28 45.269 -6.976 8.931 247 HD13 LEU 28 3HD1 LEU 28 44.916 -8.573 8.271 248 HD21 LEU 28 1HD2 LEU 28 44.303 -7.687 4.888 249 HD22 LEU 28 2HD2 LEU 28 43.011 -8.079 6.023 250 HD23 LEU 28 3HD2 LEU 28 44.541 -8.955 6.090 251 H ALA 29 H ALA 29 44.793 -3.092 5.572 252 HA ALA 29 HA ALA 29 47.360 -3.872 4.749 253 HB1 ALA 29 1HB ALA 29 47.325 -1.843 3.364 254 HB2 ALA 29 2HB ALA 29 45.939 -1.243 4.274 255 HB3 ALA 29 3HB ALA 29 45.783 -2.695 3.284 256 H ALA 30 H ALA 30 46.337 -1.434 7.085 257 HA ALA 30 HA ALA 30 48.660 0.117 7.193 258 HB1 ALA 30 1HB ALA 30 47.935 0.711 9.478 259 HB2 ALA 30 2HB ALA 30 46.765 -0.608 9.440 260 HB3 ALA 30 3HB ALA 30 46.593 0.755 8.335 261 H SER 31 H SER 31 47.832 -2.869 8.950 262 HA SER 31 HA SER 31 50.123 -3.006 10.568 263 HB2 SER 31 1HB SER 31 49.614 -5.363 10.811 264 HB3 SER 31 2HB SER 31 48.105 -4.457 10.795 265 HG SER 31 HG SER 31 48.813 -6.432 9.219 266 H ALA 32 H ALA 32 49.568 -4.078 7.234 267 HA ALA 32 HA ALA 32 51.998 -5.477 6.897 268 HB1 ALA 32 1HB ALA 32 50.001 -5.570 5.365 269 HB2 ALA 32 2HB ALA 32 51.546 -5.365 4.540 270 HB3 ALA 32 3HB ALA 32 50.473 -3.983 4.756 271 H LEU 33 H LEU 33 51.127 -2.076 6.314 272 HA LEU 33 HA LEU 33 53.533 -1.313 5.064 273 HB2 LEU 33 1HB LEU 33 51.675 0.370 6.764 274 HB3 LEU 33 2HB LEU 33 52.875 0.983 5.628 275 HG LEU 33 HG LEU 33 50.557 -0.820 4.871 276 HD11 LEU 33 1HD1 LEU 33 50.963 2.173 4.597 277 HD12 LEU 33 2HD1 LEU 33 49.700 1.354 5.517 278 HD13 LEU 33 3HD1 LEU 33 49.703 1.270 3.755 279 HD21 LEU 33 1HD2 LEU 33 52.312 -1.131 3.292 280 HD22 LEU 33 2HD2 LEU 33 52.749 0.577 3.326 281 HD23 LEU 33 3HD2 LEU 33 51.249 0.067 2.552 282 H TRP 34 H TRP 34 52.597 -1.405 8.480 283 HA TRP 34 HA TRP 34 54.869 -0.075 9.499 284 HB2 TRP 34 1HB TRP 34 52.750 -0.547 10.747 285 HB3 TRP 34 2HB TRP 34 53.250 -2.223 10.866 286 HD1 TRP 34 HD1 TRP 34 54.710 -2.848 12.862 287 HE1 TRP 34 HE1 TRP 34 55.948 -1.535 14.701 288 HE3 TRP 34 HE3 TRP 34 54.079 1.912 11.124 289 HZ2 TRP 34 HZ2 TRP 34 56.588 1.180 15.352 290 HZ3 TRP 34 HZ3 TRP 34 55.011 3.838 12.368 291 HH2 TRP 34 HH2 TRP 34 56.263 3.482 14.477 292 H ALA 35 H ALA 35 54.200 -3.534 9.017 293 HA ALA 35 HA ALA 35 56.611 -4.502 10.104 294 HB1 ALA 35 1HB ALA 35 54.906 -5.707 7.910 295 HB2 ALA 35 2HB ALA 35 54.676 -5.947 9.642 296 HB3 ALA 35 3HB ALA 35 56.128 -6.562 8.853 297 H ALA 36 H ALA 36 55.760 -3.536 6.808 298 HA ALA 36 HA ALA 36 58.149 -4.298 5.540 299 HB1 ALA 36 1HB ALA 36 57.489 -2.566 3.835 300 HB2 ALA 36 2HB ALA 36 56.153 -2.123 4.898 301 HB3 ALA 36 3HB ALA 36 56.233 -3.746 4.211 302 H ALA 37 H ALA 37 57.376 -1.469 7.478 303 HA ALA 37 HA ALA 37 59.359 0.296 6.617 304 HB1 ALA 37 1HB ALA 37 58.877 1.533 8.505 305 HB2 ALA 37 2HB ALA 37 58.729 0.109 9.532 306 HB3 ALA 37 3HB ALA 37 57.433 0.526 8.413 307 H TRP 38 H TRP 38 59.565 -2.398 8.911 308 HA TRP 38 HA TRP 38 62.124 -1.926 9.929 309 HB2 TRP 38 1HB TRP 38 60.472 -3.693 10.659 310 HB3 TRP 38 2HB TRP 38 60.987 -4.640 9.276 311 HD1 TRP 38 HD1 TRP 38 62.086 -3.466 12.709 312 HE1 TRP 38 HE1 TRP 38 64.189 -4.775 13.416 313 HE3 TRP 38 HE3 TRP 38 63.130 -5.884 8.335 314 HZ2 TRP 38 HZ2 TRP 38 66.070 -6.610 12.277 315 HZ3 TRP 38 HZ3 TRP 38 65.078 -7.403 8.174 316 HH2 TRP 38 HH2 TRP 38 66.550 -7.769 10.134 317 H HIS 39 H HIS 39 61.120 -3.457 6.901 318 HA HIS 39 HA HIS 39 63.932 -3.900 6.166 319 HB2 HIS 39 1HB HIS 39 61.352 -4.777 4.866 320 HB3 HIS 39 2HB HIS 39 62.948 -5.110 4.220 321 HD1 HIS 39 HD1 HIS 39 60.543 -6.144 6.882 322 HD2 HIS 39 HD2 HIS 39 64.414 -7.106 5.668 323 HE1 HIS 39 HE1 HIS 39 61.162 -8.279 8.092 324 H GLY 40 H GLY 40 64.753 -3.131 4.152 325 HA2 GLY 40 1HA GLY 40 63.717 -0.496 3.461 326 HA3 GLY 40 2HA GLY 40 65.247 -1.188 2.939 327 H GLN 41 H GLN 41 62.155 -2.857 2.617 328 HA GLN 41 HA GLN 41 62.561 -2.974 -0.263 329 HB2 GLN 41 1HB GLN 41 60.808 -4.648 -0.259 330 HB3 GLN 41 2HB GLN 41 61.980 -5.010 1.005 331 HG2 GLN 41 1HG GLN 41 60.440 -3.792 2.621 332 HG3 GLN 41 2HG GLN 41 59.235 -3.778 1.334 333 HE21 GLN 41 1HE2 GLN 41 57.742 -5.326 2.115 334 HE22 GLN 41 2HE2 GLN 41 58.155 -6.933 2.470 335 H LYS 42 H LYS 42 61.489 -0.481 1.270 336 HA LYS 42 HA LYS 42 59.143 -0.054 -0.489 337 HB2 LYS 42 1HB LYS 42 58.521 -0.291 1.922 338 HB3 LYS 42 2HB LYS 42 59.538 1.106 2.279 339 HG2 LYS 42 1HG LYS 42 58.194 2.500 0.776 340 HG3 LYS 42 2HG LYS 42 57.197 1.108 0.350 341 HD2 LYS 42 1HD LYS 42 56.179 1.022 2.447 342 HD3 LYS 42 2HD LYS 42 57.503 1.877 3.237 343 HE2 LYS 42 1HE LYS 42 55.798 3.227 1.147 344 HE3 LYS 42 2HE LYS 42 55.314 3.192 2.843 345 HZ1 LYS 42 1HZ LYS 42 56.588 5.184 2.290 346 HZ2 LYS 42 2HZ LYS 42 57.908 4.221 1.824 347 HZ3 LYS 42 3HZ LYS 42 57.391 4.233 3.443 348 HA PRO 43 HA PRO 43 62.286 3.219 -1.317 349 HB2 PRO 43 1HB PRO 43 62.245 3.156 -4.022 350 HB3 PRO 43 2HB PRO 43 63.191 1.996 -3.067 351 HG2 PRO 43 1HG PRO 43 60.585 1.631 -4.438 352 HG3 PRO 43 2HG PRO 43 61.935 0.498 -4.248 353 HD2 PRO 43 1HD PRO 43 59.624 0.464 -2.707 354 HD3 PRO 43 2HD PRO 43 61.171 -0.269 -2.233 355 H GLY 44 H GLY 44 61.955 5.005 -3.323 356 HA2 GLY 44 1HA GLY 44 59.542 5.877 -4.211 357 HA3 GLY 44 2HA GLY 44 59.555 6.409 -2.533 358 H THR 45 H THR 45 61.972 7.299 -2.007 359 HA THR 45 HA THR 45 62.767 9.136 -4.172 360 HB THR 45 HB THR 45 61.228 10.343 -2.676 361 HG1 THR 45 HG1 THR 45 63.938 11.104 -2.363 362 HG21 THR 45 1HG2 THR 45 63.285 9.857 -0.510 363 HG22 THR 45 2HG2 THR 45 61.763 8.975 -0.632 364 HG23 THR 45 3HG2 THR 45 61.754 10.715 -0.351 365 H HIS 46 H HIS 46 64.906 10.034 -3.917 366 HA HIS 46 HA HIS 46 66.646 8.902 -1.887 367 HB2 HIS 46 1HB HIS 46 66.519 7.124 -3.612 368 HB3 HIS 46 2HB HIS 46 67.094 8.271 -4.807 369 HD1 HIS 46 HD1 HIS 46 68.272 6.910 -1.435 370 HD2 HIS 46 HD2 HIS 46 69.825 8.138 -5.103 371 HE1 HIS 46 HE1 HIS 46 70.767 6.505 -1.325 Start of MODEL 8 1 H ARG 1 3H ARG 1 28.002 9.567 4.314 2 HA ARG 1 HA ARG 1 29.015 11.311 3.116 3 HB2 ARG 1 1HB ARG 1 27.211 9.955 1.974 4 HB3 ARG 1 2HB ARG 1 26.090 11.270 2.321 5 HG2 ARG 1 1HG ARG 1 27.559 12.834 1.081 6 HG3 ARG 1 2HG ARG 1 28.640 11.494 0.696 7 HD2 ARG 1 1HD ARG 1 26.719 10.331 -0.410 8 HD3 ARG 1 2HD ARG 1 25.737 11.765 -0.130 9 HE ARG 1 HE ARG 1 26.942 12.883 -1.794 10 HH11 ARG 1 1HH1 ARG 1 28.416 9.757 -1.176 11 HH12 ARG 1 2HH1 ARG 1 29.421 9.841 -2.584 12 HH21 ARG 1 1HH2 ARG 1 28.263 12.936 -3.590 13 HH22 ARG 1 2HH2 ARG 1 29.335 11.619 -3.933 14 H SER 2 H SER 2 29.406 13.469 2.953 15 HA SER 2 HA SER 2 28.458 15.201 4.931 16 HB2 SER 2 1HB SER 2 29.700 15.921 2.266 17 HB3 SER 2 2HB SER 2 29.573 16.982 3.664 18 HG SER 2 HG SER 2 31.502 15.330 3.137 19 H LEU 3 H LEU 3 26.968 16.831 4.979 20 HA LEU 3 HA LEU 3 24.635 16.570 3.373 21 HB2 LEU 3 1HB LEU 3 25.465 18.837 5.200 22 HB3 LEU 3 2HB LEU 3 23.838 18.546 4.586 23 HG LEU 3 HG LEU 3 25.404 16.590 6.295 24 HD11 LEU 3 1HD1 LEU 3 23.676 17.229 8.026 25 HD12 LEU 3 2HD1 LEU 3 23.202 18.561 6.970 26 HD13 LEU 3 3HD1 LEU 3 24.830 18.507 7.647 27 HD21 LEU 3 1HD2 LEU 3 22.652 16.616 5.064 28 HD22 LEU 3 2HD2 LEU 3 22.966 15.691 6.531 29 HD23 LEU 3 3HD2 LEU 3 23.854 15.324 5.052 30 H LEU 4 H LEU 4 27.459 18.659 3.182 31 HA LEU 4 HA LEU 4 26.417 20.741 1.625 32 HB2 LEU 4 1HB LEU 4 28.657 20.739 2.719 33 HB3 LEU 4 2HB LEU 4 29.217 19.599 1.497 34 HG LEU 4 HG LEU 4 28.498 21.289 -0.257 35 HD11 LEU 4 1HD1 LEU 4 28.043 22.861 2.272 36 HD12 LEU 4 2HD1 LEU 4 27.001 22.720 0.857 37 HD13 LEU 4 3HD1 LEU 4 28.475 23.684 0.773 38 HD21 LEU 4 1HD2 LEU 4 30.474 22.818 0.245 39 HD22 LEU 4 2HD2 LEU 4 30.838 21.092 0.237 40 HD23 LEU 4 3HD2 LEU 4 30.650 21.947 1.768 41 H GLU 5 H GLU 5 27.661 17.567 0.696 42 HA GLU 5 HA GLU 5 27.805 17.995 -2.085 43 HB2 GLU 5 1HB GLU 5 27.264 15.456 -0.529 44 HB3 GLU 5 2HB GLU 5 27.670 15.518 -2.246 45 HG2 GLU 5 1HG GLU 5 29.780 16.703 -1.679 46 HG3 GLU 5 2HG GLU 5 29.388 16.547 0.028 47 H GLY 6 H GLY 6 25.115 16.971 -0.012 48 HA2 GLY 6 1HA GLY 6 22.849 17.253 -0.340 49 HA3 GLY 6 2HA GLY 6 23.219 18.112 -1.830 50 H GLU 7 H GLU 7 24.320 14.829 -1.172 51 HA GLU 7 HA GLU 7 22.466 13.845 -3.269 52 HB2 GLU 7 1HB GLU 7 24.911 13.763 -3.827 53 HB3 GLU 7 2HB GLU 7 25.129 12.657 -2.469 54 HG2 GLU 7 1HG GLU 7 23.446 11.129 -3.483 55 HG3 GLU 7 2HG GLU 7 23.331 12.208 -4.866 56 H ILE 8 H ILE 8 21.228 12.078 -2.852 57 HA ILE 8 HA ILE 8 21.264 11.079 -0.085 58 HB ILE 8 HB ILE 8 19.252 12.245 -0.971 59 HG12 ILE 8 1HG1 ILE 8 19.183 10.656 0.936 60 HG13 ILE 8 2HG1 ILE 8 17.667 10.792 0.066 61 HG21 ILE 8 1HG2 ILE 8 19.351 11.345 -3.277 62 HG22 ILE 8 2HG2 ILE 8 17.764 11.172 -2.526 63 HG23 ILE 8 3HG2 ILE 8 18.835 9.777 -2.656 64 HD11 ILE 8 1HD1 ILE 8 17.661 8.543 0.001 65 HD12 ILE 8 2HD1 ILE 8 19.334 8.452 0.535 66 HD13 ILE 8 3HD1 ILE 8 18.968 8.626 -1.173 67 HA PRO 9 HA PRO 9 22.768 7.287 -2.081 68 HB2 PRO 9 1HB PRO 9 22.592 5.548 0.022 69 HB3 PRO 9 2HB PRO 9 23.907 6.726 -0.157 70 HG2 PRO 9 1HG PRO 9 21.469 6.864 1.539 71 HG3 PRO 9 2HG PRO 9 23.130 7.363 1.905 72 HD2 PRO 9 1HD PRO 9 21.196 9.147 1.208 73 HD3 PRO 9 2HD PRO 9 22.913 9.395 0.827 74 H PHE 10 H PHE 10 20.926 7.108 -3.474 75 HA PHE 10 HA PHE 10 18.382 6.254 -2.821 76 HB2 PHE 10 1HB PHE 10 20.047 6.234 -5.254 77 HB3 PHE 10 2HB PHE 10 18.708 5.104 -5.268 78 HD1 PHE 10 HD1 PHE 10 19.582 8.693 -4.750 79 HD2 PHE 10 HD2 PHE 10 16.513 5.847 -5.713 80 HE1 PHE 10 HE1 PHE 10 18.050 10.548 -5.349 81 HE2 PHE 10 HE2 PHE 10 14.980 7.702 -6.313 82 HZ PHE 10 HZ PHE 10 15.750 10.053 -6.131 83 HA PRO 11 HA PRO 11 19.601 1.729 -2.753 84 HB2 PRO 11 1HB PRO 11 21.978 0.806 -3.550 85 HB3 PRO 11 2HB PRO 11 20.778 1.346 -4.744 86 HG2 PRO 11 1HG PRO 11 23.227 2.714 -3.780 87 HG3 PRO 11 2HG PRO 11 22.492 2.708 -5.392 88 HD2 PRO 11 1HD PRO 11 22.195 4.730 -3.443 89 HD3 PRO 11 2HD PRO 11 21.240 4.545 -4.930 90 HA PRO 12 HA PRO 12 21.722 3.067 1.157 91 HB2 PRO 12 1HB PRO 12 20.335 1.286 2.796 92 HB3 PRO 12 2HB PRO 12 19.842 2.949 2.431 93 HG2 PRO 12 1HG PRO 12 18.911 0.398 1.230 94 HG3 PRO 12 2HG PRO 12 17.997 1.865 1.628 95 HD2 PRO 12 1HD PRO 12 18.692 1.312 -0.912 96 HD3 PRO 12 2HD PRO 12 18.669 2.983 -0.301 97 H THR 13 H THR 13 20.826 -0.400 0.980 98 HA THR 13 HA THR 13 23.065 -1.273 2.436 99 HB THR 13 HB THR 13 22.454 -3.520 1.688 100 HG1 THR 13 HG1 THR 13 21.836 -3.469 -0.336 101 HG21 THR 13 1HG2 THR 13 19.922 -1.928 2.114 102 HG22 THR 13 2HG2 THR 13 21.092 -2.199 3.406 103 HG23 THR 13 3HG2 THR 13 20.278 -3.570 2.652 104 H SER 14 H SER 14 22.969 -0.236 -0.839 105 HA SER 14 HA SER 14 24.928 -2.177 -1.799 106 HB2 SER 14 1HB SER 14 22.992 -1.184 -3.198 107 HB3 SER 14 2HB SER 14 23.989 0.263 -3.293 108 HG SER 14 HG SER 14 24.754 -2.374 -4.038 109 H ILE 15 H ILE 15 24.669 1.332 -1.397 110 HA ILE 15 HA ILE 15 27.431 1.876 -1.777 111 HB ILE 15 HB ILE 15 25.675 3.605 -1.953 112 HG12 ILE 15 1HG1 ILE 15 26.902 5.336 -0.554 113 HG13 ILE 15 2HG1 ILE 15 27.877 4.009 0.081 114 HG21 ILE 15 1HG2 ILE 15 25.520 3.321 1.062 115 HG22 ILE 15 2HG2 ILE 15 24.250 2.891 -0.083 116 HG23 ILE 15 3HG2 ILE 15 24.728 4.577 0.109 117 HD11 ILE 15 1HD1 ILE 15 27.561 4.356 -2.890 118 HD12 ILE 15 2HD1 ILE 15 28.858 3.561 -1.998 119 HD13 ILE 15 3HD1 ILE 15 28.744 5.320 -2.007 120 H LEU 16 H LEU 16 25.480 0.989 1.035 121 HA LEU 16 HA LEU 16 27.451 1.424 3.024 122 HB2 LEU 16 1HB LEU 16 25.040 0.957 3.480 123 HB3 LEU 16 2HB LEU 16 25.306 -0.714 2.983 124 HG LEU 16 HG LEU 16 27.148 -0.815 4.741 125 HD11 LEU 16 1HD1 LEU 16 27.621 1.451 5.207 126 HD12 LEU 16 2HD1 LEU 16 26.696 0.921 6.613 127 HD13 LEU 16 3HD1 LEU 16 25.912 1.868 5.348 128 HD21 LEU 16 1HD2 LEU 16 24.940 -1.833 5.101 129 HD22 LEU 16 2HD2 LEU 16 24.299 -0.282 5.642 130 HD23 LEU 16 3HD2 LEU 16 25.526 -1.110 6.599 131 H LEU 17 H LEU 17 26.797 -1.298 0.856 132 HA LEU 17 HA LEU 17 28.514 -3.165 2.135 133 HB2 LEU 17 1HB LEU 17 26.725 -3.772 0.507 134 HB3 LEU 17 2HB LEU 17 27.705 -3.069 -0.781 135 HG LEU 17 HG LEU 17 29.569 -4.641 -0.074 136 HD11 LEU 17 1HD1 LEU 17 27.322 -5.581 1.693 137 HD12 LEU 17 2HD1 LEU 17 29.022 -5.337 2.096 138 HD13 LEU 17 3HD1 LEU 17 28.537 -6.728 1.126 139 HD21 LEU 17 1HD2 LEU 17 27.014 -6.036 -0.917 140 HD22 LEU 17 2HD2 LEU 17 28.668 -6.487 -1.332 141 HD23 LEU 17 3HD2 LEU 17 27.960 -5.017 -2.003 142 H LEU 18 H LEU 18 28.977 -0.965 -0.600 143 HA LEU 18 HA LEU 18 31.630 -1.675 -1.221 144 HB2 LEU 18 1HB LEU 18 30.290 1.028 -1.498 145 HB3 LEU 18 2HB LEU 18 31.760 0.514 -2.326 146 HG LEU 18 HG LEU 18 29.067 -0.854 -2.599 147 HD11 LEU 18 1HD1 LEU 18 30.527 0.925 -4.574 148 HD12 LEU 18 2HD1 LEU 18 29.173 1.459 -3.577 149 HD13 LEU 18 3HD1 LEU 18 28.936 0.195 -4.785 150 HD21 LEU 18 1HD2 LEU 18 30.272 -1.872 -4.606 151 HD22 LEU 18 2HD2 LEU 18 30.835 -2.422 -3.027 152 HD23 LEU 18 3HD2 LEU 18 31.765 -1.222 -3.928 153 H LEU 19 H LEU 19 30.291 0.731 1.020 154 HA LEU 19 HA LEU 19 32.715 1.890 1.845 155 HB2 LEU 19 1HB LEU 19 30.167 2.435 2.395 156 HB3 LEU 19 2HB LEU 19 30.505 1.463 3.819 157 HG LEU 19 HG LEU 19 30.885 3.792 4.353 158 HD11 LEU 19 1HD1 LEU 19 32.987 3.632 5.344 159 HD12 LEU 19 2HD1 LEU 19 33.681 2.769 3.972 160 HD13 LEU 19 3HD1 LEU 19 32.582 1.938 5.072 161 HD21 LEU 19 1HD2 LEU 19 33.068 4.001 2.306 162 HD22 LEU 19 2HD2 LEU 19 32.134 5.283 3.078 163 HD23 LEU 19 3HD2 LEU 19 31.394 4.284 1.827 164 H ALA 20 H ALA 20 31.021 -1.020 2.949 165 HA ALA 20 HA ALA 20 32.574 -1.485 5.261 166 HB1 ALA 20 1HB ALA 20 30.484 -2.652 4.963 167 HB2 ALA 20 2HB ALA 20 31.776 -3.851 5.021 168 HB3 ALA 20 3HB ALA 20 31.060 -3.400 3.474 169 H CYS 21 H CYS 21 32.912 -2.684 1.931 170 HA CYS 21 HA CYS 21 35.063 -4.432 2.405 171 HB2 CYS 21 1HB CYS 21 34.323 -2.895 -0.097 172 HB3 CYS 21 2HB CYS 21 35.498 -4.209 -0.040 173 HG CYS 21 HG CYS 21 33.326 -5.613 1.020 174 H ILE 22 H ILE 22 35.019 -1.027 1.402 175 HA ILE 22 HA ILE 22 37.789 -0.736 1.011 176 HB ILE 22 HB ILE 22 35.772 1.351 1.887 177 HG12 ILE 22 1HG1 ILE 22 36.781 0.676 -0.888 178 HG13 ILE 22 2HG1 ILE 22 35.261 0.068 -0.235 179 HG21 ILE 22 1HG2 ILE 22 38.499 1.606 0.576 180 HG22 ILE 22 2HG2 ILE 22 38.079 2.121 2.209 181 HG23 ILE 22 3HG2 ILE 22 37.367 2.937 0.818 182 HD11 ILE 22 1HD1 ILE 22 34.764 2.053 -1.521 183 HD12 ILE 22 2HD1 ILE 22 36.023 2.964 -0.689 184 HD13 ILE 22 3HD1 ILE 22 34.578 2.459 0.185 185 H PHE 23 H PHE 23 35.790 -0.325 3.913 186 HA PHE 23 HA PHE 23 37.759 0.858 5.542 187 HB2 PHE 23 1HB PHE 23 35.335 0.791 6.059 188 HB3 PHE 23 2HB PHE 23 35.472 -0.927 6.379 189 HD1 PHE 23 HD1 PHE 23 36.583 -1.747 8.399 190 HD2 PHE 23 HD2 PHE 23 36.237 2.457 7.592 191 HE1 PHE 23 HE1 PHE 23 37.193 -1.246 10.750 192 HE2 PHE 23 HE2 PHE 23 36.847 2.958 9.943 193 HZ PHE 23 HZ PHE 23 37.326 1.106 11.522 194 H LEU 24 H LEU 24 36.813 -2.547 5.143 195 HA LEU 24 HA LEU 24 38.501 -3.567 7.162 196 HB2 LEU 24 1HB LEU 24 37.113 -4.762 4.792 197 HB3 LEU 24 2HB LEU 24 38.311 -5.721 5.658 198 HG LEU 24 HG LEU 24 37.010 -4.984 7.794 199 HD11 LEU 24 1HD1 LEU 24 35.597 -3.311 6.642 200 HD12 LEU 24 2HD1 LEU 24 34.618 -4.570 7.393 201 HD13 LEU 24 3HD1 LEU 24 34.899 -4.592 5.652 202 HD21 LEU 24 1HD2 LEU 24 35.614 -6.872 5.880 203 HD22 LEU 24 2HD2 LEU 24 35.642 -6.954 7.642 204 HD23 LEU 24 3HD2 LEU 24 37.108 -7.288 6.720 205 H ILE 25 H ILE 25 39.039 -3.113 3.680 206 HA ILE 25 HA ILE 25 41.545 -4.422 3.581 207 HB ILE 25 HB ILE 25 40.501 -2.180 1.828 208 HG12 ILE 25 1HG1 ILE 25 40.423 -5.180 1.400 209 HG13 ILE 25 2HG1 ILE 25 39.058 -4.250 2.015 210 HG21 ILE 25 1HG2 ILE 25 42.601 -4.294 1.252 211 HG22 ILE 25 2HG2 ILE 25 42.970 -2.619 1.663 212 HG23 ILE 25 3HG2 ILE 25 42.095 -2.991 0.177 213 HD11 ILE 25 1HD1 ILE 25 39.147 -2.832 -0.037 214 HD12 ILE 25 2HD1 ILE 25 38.818 -4.526 -0.398 215 HD13 ILE 25 3HD1 ILE 25 40.432 -3.865 -0.661 216 H LYS 26 H LYS 26 40.704 -0.994 4.042 217 HA LYS 26 HA LYS 26 43.334 -0.002 3.952 218 HB2 LYS 26 1HB LYS 26 40.864 1.085 5.313 219 HB3 LYS 26 2HB LYS 26 42.376 1.977 5.146 220 HG2 LYS 26 1HG LYS 26 42.243 1.848 2.720 221 HG3 LYS 26 2HG LYS 26 40.814 0.819 2.820 222 HD2 LYS 26 1HD LYS 26 39.979 3.001 2.382 223 HD3 LYS 26 2HD LYS 26 39.703 2.735 4.102 224 HE2 LYS 26 1HE LYS 26 42.165 3.845 4.232 225 HE3 LYS 26 2HE LYS 26 41.586 4.599 2.748 226 HZ1 LYS 26 1HZ LYS 26 39.798 5.564 3.843 227 HZ2 LYS 26 2HZ LYS 26 41.080 5.751 4.941 228 HZ3 LYS 26 3HZ LYS 26 39.921 4.533 5.185 229 H ILE 27 H ILE 27 41.386 -1.182 6.669 230 HA ILE 27 HA ILE 27 43.327 -0.384 8.623 231 HB ILE 27 HB ILE 27 41.935 -1.576 10.234 232 HG12 ILE 27 1HG1 ILE 27 40.293 -2.452 7.839 233 HG13 ILE 27 2HG1 ILE 27 41.384 -3.513 8.732 234 HG21 ILE 27 1HG2 ILE 27 41.277 0.683 9.480 235 HG22 ILE 27 2HG2 ILE 27 39.863 -0.297 9.864 236 HG23 ILE 27 3HG2 ILE 27 40.320 -0.031 8.182 237 HD11 ILE 27 1HD1 ILE 27 38.795 -2.287 9.621 238 HD12 ILE 27 2HD1 ILE 27 40.024 -2.681 10.822 239 HD13 ILE 27 3HD1 ILE 27 39.358 -3.949 9.792 240 H LEU 28 H LEU 28 42.706 -3.375 6.855 241 HA LEU 28 HA LEU 28 44.303 -5.090 8.416 242 HB2 LEU 28 1HB LEU 28 42.737 -5.835 6.623 243 HB3 LEU 28 2HB LEU 28 43.864 -5.203 5.422 244 HG LEU 28 HG LEU 28 45.639 -6.692 6.464 245 HD11 LEU 28 1HD1 LEU 28 44.512 -8.708 7.671 246 HD12 LEU 28 2HD1 LEU 28 43.187 -7.584 7.971 247 HD13 LEU 28 3HD1 LEU 28 44.799 -7.233 8.593 248 HD21 LEU 28 1HD2 LEU 28 43.170 -8.005 5.280 249 HD22 LEU 28 2HD2 LEU 28 44.773 -8.737 5.348 250 HD23 LEU 28 3HD2 LEU 28 44.504 -7.295 4.369 251 H ALA 29 H ALA 29 45.089 -3.087 5.590 252 HA ALA 29 HA ALA 29 47.858 -3.747 5.542 253 HB1 ALA 29 1HB ALA 29 46.514 -1.239 4.511 254 HB2 ALA 29 2HB ALA 29 46.621 -2.758 3.620 255 HB3 ALA 29 3HB ALA 29 48.089 -1.867 4.023 256 H ALA 30 H ALA 30 46.005 -1.143 7.056 257 HA ALA 30 HA ALA 30 48.343 0.192 8.083 258 HB1 ALA 30 1HB ALA 30 46.072 1.235 7.482 259 HB2 ALA 30 2HB ALA 30 46.867 1.787 8.957 260 HB3 ALA 30 3HB ALA 30 45.534 0.636 9.051 261 H SER 31 H SER 31 46.909 -2.658 9.082 262 HA SER 31 HA SER 31 46.518 -2.402 11.822 263 HB2 SER 31 1HB SER 31 46.006 -4.435 10.467 264 HB3 SER 31 2HB SER 31 47.729 -4.789 10.413 265 HG SER 31 HG SER 31 47.674 -5.356 12.465 266 H ALA 32 H ALA 32 49.537 -2.864 10.026 267 HA ALA 32 HA ALA 32 51.214 -3.380 12.232 268 HB1 ALA 32 1HB ALA 32 52.241 -3.825 10.202 269 HB2 ALA 32 2HB ALA 32 52.968 -2.272 10.614 270 HB3 ALA 32 3HB ALA 32 51.641 -2.345 9.455 271 H LEU 33 H LEU 33 50.355 -0.317 10.621 272 HA LEU 33 HA LEU 33 52.044 1.349 12.133 273 HB2 LEU 33 1HB LEU 33 50.878 2.013 10.032 274 HB3 LEU 33 2HB LEU 33 49.363 2.072 10.932 275 HG LEU 33 HG LEU 33 50.489 3.711 12.512 276 HD11 LEU 33 1HD1 LEU 33 52.615 3.399 10.401 277 HD12 LEU 33 2HD1 LEU 33 52.794 3.422 12.156 278 HD13 LEU 33 3HD1 LEU 33 52.451 4.917 11.285 279 HD21 LEU 33 1HD2 LEU 33 48.930 4.444 10.747 280 HD22 LEU 33 2HD2 LEU 33 50.258 4.493 9.587 281 HD23 LEU 33 3HD2 LEU 33 50.234 5.613 10.949 282 H TRP 34 H TRP 34 48.736 0.233 12.718 283 HA TRP 34 HA TRP 34 48.181 1.897 14.929 284 HB2 TRP 34 1HB TRP 34 47.115 -0.819 14.167 285 HB3 TRP 34 2HB TRP 34 46.486 0.130 15.500 286 HD1 TRP 34 HD1 TRP 34 46.112 -0.425 11.873 287 HE1 TRP 34 HE1 TRP 34 44.527 1.328 10.849 288 HE3 TRP 34 HE3 TRP 34 45.830 2.881 15.755 289 HZ2 TRP 34 HZ2 TRP 34 43.298 3.811 11.579 290 HZ3 TRP 34 HZ3 TRP 34 44.449 4.927 15.564 291 HH2 TRP 34 HH2 TRP 34 43.184 5.397 13.487 292 H ALA 35 H ALA 35 49.513 -1.394 14.747 293 HA ALA 35 HA ALA 35 49.632 -1.891 17.510 294 HB1 ALA 35 1HB ALA 35 51.342 -2.932 15.243 295 HB2 ALA 35 2HB ALA 35 49.917 -3.701 15.942 296 HB3 ALA 35 3HB ALA 35 51.398 -3.563 16.890 297 H ALA 36 H ALA 36 51.985 -0.423 15.308 298 HA ALA 36 HA ALA 36 54.094 -0.113 17.141 299 HB1 ALA 36 1HB ALA 36 53.298 1.353 14.636 300 HB2 ALA 36 2HB ALA 36 54.649 0.248 14.888 301 HB3 ALA 36 3HB ALA 36 54.692 1.866 15.587 302 H ALA 37 H ALA 37 51.263 1.905 16.486 303 HA ALA 37 HA ALA 37 52.104 4.143 18.029 304 HB1 ALA 37 1HB ALA 37 49.908 4.975 17.731 305 HB2 ALA 37 2HB ALA 37 49.236 3.357 17.529 306 HB3 ALA 37 3HB ALA 37 50.251 4.054 16.266 307 H TRP 38 H TRP 38 50.215 1.246 18.785 308 HA TRP 38 HA TRP 38 49.249 2.033 21.296 309 HB2 TRP 38 1HB TRP 38 49.860 -0.661 20.111 310 HB3 TRP 38 2HB TRP 38 49.221 -0.488 21.735 311 HD1 TRP 38 HD1 TRP 38 48.183 -0.803 18.224 312 HE1 TRP 38 HE1 TRP 38 45.662 -0.335 17.970 313 HE3 TRP 38 HE3 TRP 38 47.206 1.253 22.793 314 HZ2 TRP 38 HZ2 TRP 38 43.510 0.769 19.505 315 HZ3 TRP 38 HZ3 TRP 38 44.918 2.002 23.372 316 HH2 TRP 38 HH2 TRP 38 43.071 1.765 21.738 317 H HIS 39 H HIS 39 52.377 0.701 20.366 318 HA HIS 39 HA HIS 39 53.207 0.758 23.214 319 HB2 HIS 39 1HB HIS 39 53.171 -1.497 22.189 320 HB3 HIS 39 2HB HIS 39 54.298 -0.939 20.968 321 HD1 HIS 39 HD1 HIS 39 56.768 -0.782 21.622 322 HD2 HIS 39 HD2 HIS 39 54.298 -1.805 24.821 323 HE1 HIS 39 HE1 HIS 39 58.298 -1.486 23.510 324 H GLY 40 H GLY 40 55.485 1.265 23.582 325 HA2 GLY 40 1HA GLY 40 57.528 2.291 23.048 326 HA3 GLY 40 2HA GLY 40 56.893 2.682 21.453 327 H GLN 41 H GLN 41 58.040 4.760 22.164 328 HA GLN 41 HA GLN 41 56.800 6.408 24.133 329 HB2 GLN 41 1HB GLN 41 58.243 8.172 23.288 330 HB3 GLN 41 2HB GLN 41 59.155 6.672 23.426 331 HG2 GLN 41 1HG GLN 41 58.653 6.280 20.961 332 HG3 GLN 41 2HG GLN 41 58.050 7.935 20.907 333 HE21 GLN 41 1HE2 GLN 41 59.715 8.965 19.721 334 HE22 GLN 41 2HE2 GLN 41 61.340 8.985 20.211 335 H LYS 42 H LYS 42 55.377 8.100 23.922 336 HA LYS 42 HA LYS 42 54.057 8.422 21.290 337 HB2 LYS 42 1HB LYS 42 52.712 7.089 22.973 338 HB3 LYS 42 2HB LYS 42 52.642 8.551 23.957 339 HG2 LYS 42 1HG LYS 42 51.609 9.769 22.071 340 HG3 LYS 42 2HG LYS 42 51.659 8.297 21.099 341 HD2 LYS 42 1HD LYS 42 50.251 8.446 23.773 342 HD3 LYS 42 2HD LYS 42 49.435 8.769 22.243 343 HE2 LYS 42 1HE LYS 42 50.307 6.492 21.463 344 HE3 LYS 42 2HE LYS 42 50.723 6.189 23.149 345 HZ1 LYS 42 1HZ LYS 42 48.152 6.194 21.873 346 HZ2 LYS 42 2HZ LYS 42 48.187 7.126 23.293 347 HZ3 LYS 42 3HZ LYS 42 48.632 5.487 23.339 348 HA PRO 43 HA PRO 43 55.333 12.544 22.925 349 HB2 PRO 43 1HB PRO 43 56.666 13.478 20.768 350 HB3 PRO 43 2HB PRO 43 57.426 12.379 21.937 351 HG2 PRO 43 1HG PRO 43 56.360 11.815 19.230 352 HG3 PRO 43 2HG PRO 43 57.758 11.118 20.068 353 HD2 PRO 43 1HD PRO 43 55.253 9.901 19.840 354 HD3 PRO 43 2HD PRO 43 56.509 9.461 21.015 355 H GLY 44 H GLY 44 54.618 14.685 22.305 356 HA2 GLY 44 1HA GLY 44 52.200 14.599 20.655 357 HA3 GLY 44 2HA GLY 44 52.643 15.873 21.785 358 H THR 45 H THR 45 54.724 14.509 19.272 359 HA THR 45 HA THR 45 54.479 17.006 17.721 360 HB THR 45 HB THR 45 56.455 17.196 19.187 361 HG1 THR 45 HG1 THR 45 56.658 18.218 17.274 362 HG21 THR 45 1HG2 THR 45 57.866 15.054 17.664 363 HG22 THR 45 2HG2 THR 45 56.790 14.553 18.968 364 HG23 THR 45 3HG2 THR 45 58.142 15.634 19.305 365 H HIS 46 H HIS 46 55.275 16.818 15.514 366 HA HIS 46 HA HIS 46 55.389 14.044 14.504 367 HB2 HIS 46 1HB HIS 46 53.703 16.286 13.382 368 HB3 HIS 46 2HB HIS 46 53.946 14.726 12.618 369 HD1 HIS 46 HD1 HIS 46 52.108 16.426 15.390 370 HD2 HIS 46 HD2 HIS 46 52.513 12.572 13.854 371 HE1 HIS 46 HE1 HIS 46 50.278 15.037 16.451 Start of MODEL 9 1 H ARG 1 3H ARG 1 24.164 5.524 -15.401 2 HA ARG 1 HA ARG 1 25.182 6.096 -18.122 3 HB2 ARG 1 1HB ARG 1 25.075 3.615 -16.382 4 HB3 ARG 1 2HB ARG 1 25.629 3.636 -18.057 5 HG2 ARG 1 1HG ARG 1 27.352 5.330 -17.421 6 HG3 ARG 1 2HG ARG 1 26.851 5.161 -15.738 7 HD2 ARG 1 1HD ARG 1 27.955 2.956 -17.502 8 HD3 ARG 1 2HD ARG 1 28.802 3.747 -16.175 9 HE ARG 1 HE ARG 1 26.793 1.684 -15.965 10 HH11 ARG 1 1HH1 ARG 1 28.303 4.354 -14.257 11 HH12 ARG 1 2HH1 ARG 1 27.887 3.723 -12.700 12 HH21 ARG 1 1HH2 ARG 1 26.285 0.923 -13.931 13 HH22 ARG 1 2HH2 ARG 1 26.759 1.804 -12.518 14 H SER 2 H SER 2 24.215 4.336 -19.649 15 HA SER 2 HA SER 2 21.505 4.920 -20.033 16 HB2 SER 2 1HB SER 2 23.057 2.532 -21.064 17 HB3 SER 2 2HB SER 2 21.535 3.136 -21.712 18 HG SER 2 HG SER 2 22.927 4.218 -22.922 19 H LEU 3 H LEU 3 19.619 3.775 -19.675 20 HA LEU 3 HA LEU 3 19.529 2.236 -17.311 21 HB2 LEU 3 1HB LEU 3 17.196 2.140 -17.533 22 HB3 LEU 3 2HB LEU 3 17.696 3.712 -18.110 23 HG LEU 3 HG LEU 3 16.038 3.031 -19.606 24 HD11 LEU 3 1HD1 LEU 3 18.573 2.155 -20.990 25 HD12 LEU 3 2HD1 LEU 3 18.037 3.821 -20.807 26 HD13 LEU 3 3HD1 LEU 3 17.082 2.686 -21.758 27 HD21 LEU 3 1HD2 LEU 3 17.221 0.372 -20.253 28 HD22 LEU 3 2HD2 LEU 3 15.538 0.896 -20.281 29 HD23 LEU 3 3HD2 LEU 3 16.326 0.546 -18.744 30 H LEU 4 H LEU 4 20.340 1.210 -20.429 31 HA LEU 4 HA LEU 4 19.093 -1.299 -20.599 32 HB2 LEU 4 1HB LEU 4 21.840 -0.505 -21.594 33 HB3 LEU 4 2HB LEU 4 20.899 -1.888 -22.146 34 HG LEU 4 HG LEU 4 20.000 1.000 -22.356 35 HD11 LEU 4 1HD1 LEU 4 20.987 -0.883 -24.519 36 HD12 LEU 4 2HD1 LEU 4 21.947 0.420 -23.820 37 HD13 LEU 4 3HD1 LEU 4 20.486 0.794 -24.735 38 HD21 LEU 4 1HD2 LEU 4 18.838 -1.650 -23.232 39 HD22 LEU 4 2HD2 LEU 4 18.365 -0.135 -24.001 40 HD23 LEU 4 3HD2 LEU 4 18.066 -0.380 -22.281 41 H GLU 5 H GLU 5 22.036 -0.281 -18.921 42 HA GLU 5 HA GLU 5 23.020 -2.846 -18.283 43 HB2 GLU 5 1HB GLU 5 23.306 -0.227 -16.793 44 HB3 GLU 5 2HB GLU 5 24.253 -1.679 -16.467 45 HG2 GLU 5 1HG GLU 5 25.047 -1.656 -18.824 46 HG3 GLU 5 2HG GLU 5 24.165 -0.158 -19.086 47 H GLY 6 H GLY 6 20.724 -0.723 -16.613 48 HA2 GLY 6 1HA GLY 6 19.108 -1.200 -15.047 49 HA3 GLY 6 2HA GLY 6 19.350 -2.902 -15.420 50 H GLU 7 H GLU 7 21.925 -0.784 -14.260 51 HA GLU 7 HA GLU 7 21.729 -1.969 -11.577 52 HB2 GLU 7 1HB GLU 7 24.213 -2.060 -13.306 53 HB3 GLU 7 2HB GLU 7 24.141 -2.518 -11.603 54 HG2 GLU 7 1HG GLU 7 22.518 -3.793 -13.823 55 HG3 GLU 7 2HG GLU 7 23.961 -4.489 -13.097 56 H ILE 8 H ILE 8 21.246 0.005 -10.664 57 HA ILE 8 HA ILE 8 23.307 2.121 -10.908 58 HB ILE 8 HB ILE 8 21.545 3.679 -10.150 59 HG12 ILE 8 1HG1 ILE 8 19.678 1.309 -10.466 60 HG13 ILE 8 2HG1 ILE 8 20.226 1.925 -8.906 61 HG21 ILE 8 1HG2 ILE 8 20.683 1.998 -12.522 62 HG22 ILE 8 2HG2 ILE 8 21.945 3.228 -12.575 63 HG23 ILE 8 3HG2 ILE 8 20.278 3.690 -12.232 64 HD11 ILE 8 1HD1 ILE 8 18.022 2.867 -9.508 65 HD12 ILE 8 2HD1 ILE 8 18.712 3.525 -10.992 66 HD13 ILE 8 3HD1 ILE 8 19.253 4.129 -9.425 67 HA PRO 9 HA PRO 9 23.929 1.442 -6.547 68 HB2 PRO 9 1HB PRO 9 25.343 3.635 -5.861 69 HB3 PRO 9 2HB PRO 9 26.010 2.402 -6.950 70 HG2 PRO 9 1HG PRO 9 24.963 5.094 -7.566 71 HG3 PRO 9 2HG PRO 9 26.232 4.159 -8.370 72 HD2 PRO 9 1HD PRO 9 23.549 4.425 -9.230 73 HD3 PRO 9 2HD PRO 9 24.758 3.294 -9.871 74 H PHE 10 H PHE 10 21.535 1.702 -6.228 75 HA PHE 10 HA PHE 10 20.796 4.286 -5.011 76 HB2 PHE 10 1HB PHE 10 19.494 2.849 -6.950 77 HB3 PHE 10 2HB PHE 10 18.634 2.349 -5.510 78 HD1 PHE 10 HD1 PHE 10 19.767 5.368 -7.394 79 HD2 PHE 10 HD2 PHE 10 16.973 3.723 -4.576 80 HE1 PHE 10 HE1 PHE 10 18.456 7.471 -7.467 81 HE2 PHE 10 HE2 PHE 10 15.662 5.828 -4.649 82 HZ PHE 10 HZ PHE 10 16.402 7.701 -6.094 83 HA PRO 11 HA PRO 11 18.849 1.008 -2.011 84 HB2 PRO 11 1HB PRO 11 20.917 -1.135 -2.187 85 HB3 PRO 11 2HB PRO 11 19.165 -1.272 -1.943 86 HG2 PRO 11 1HG PRO 11 20.284 -1.835 -4.284 87 HG3 PRO 11 2HG PRO 11 18.697 -1.050 -4.177 88 HD2 PRO 11 1HD PRO 11 21.334 0.140 -4.911 89 HD3 PRO 11 2HD PRO 11 19.706 0.559 -5.483 90 HA PRO 12 HA PRO 12 21.821 2.794 0.884 91 HB2 PRO 12 1HB PRO 12 20.471 1.259 3.038 92 HB3 PRO 12 2HB PRO 12 20.712 3.008 2.875 93 HG2 PRO 12 1HG PRO 12 18.325 1.870 2.532 94 HG3 PRO 12 2HG PRO 12 18.839 3.287 1.599 95 HD2 PRO 12 1HD PRO 12 18.684 0.426 0.734 96 HD3 PRO 12 2HD PRO 12 18.352 1.909 -0.190 97 H THR 13 H THR 13 20.948 -0.623 1.421 98 HA THR 13 HA THR 13 23.283 -1.368 2.796 99 HB THR 13 HB THR 13 21.281 -2.755 2.787 100 HG1 THR 13 HG1 THR 13 23.492 -4.009 1.528 101 HG21 THR 13 1HG2 THR 13 20.643 -2.267 0.419 102 HG22 THR 13 2HG2 THR 13 20.598 -3.987 0.804 103 HG23 THR 13 3HG2 THR 13 21.951 -3.323 -0.113 104 H SER 14 H SER 14 22.883 -0.678 -0.572 105 HA SER 14 HA SER 14 24.895 -2.598 -1.459 106 HB2 SER 14 1HB SER 14 23.389 -0.454 -2.983 107 HB3 SER 14 2HB SER 14 24.466 -1.648 -3.700 108 HG SER 14 HG SER 14 22.338 -2.383 -3.801 109 H ILE 15 H ILE 15 24.432 0.917 -1.443 110 HA ILE 15 HA ILE 15 27.117 1.585 -2.075 111 HB ILE 15 HB ILE 15 25.254 3.193 -2.251 112 HG12 ILE 15 1HG1 ILE 15 27.256 4.188 -0.217 113 HG13 ILE 15 2HG1 ILE 15 27.701 3.853 -1.892 114 HG21 ILE 15 1HG2 ILE 15 24.037 2.508 -0.202 115 HG22 ILE 15 2HG2 ILE 15 24.341 4.244 -0.237 116 HG23 ILE 15 3HG2 ILE 15 25.330 3.198 0.781 117 HD11 ILE 15 1HD1 ILE 15 25.441 5.706 -1.094 118 HD12 ILE 15 2HD1 ILE 15 26.106 5.473 -2.712 119 HD13 ILE 15 3HD1 ILE 15 27.076 6.256 -1.463 120 H LEU 16 H LEU 16 25.442 0.885 0.957 121 HA LEU 16 HA LEU 16 27.532 1.610 2.728 122 HB2 LEU 16 1HB LEU 16 25.143 1.103 3.345 123 HB3 LEU 16 2HB LEU 16 25.511 -0.605 3.119 124 HG LEU 16 HG LEU 16 27.315 1.013 4.886 125 HD11 LEU 16 1HD1 LEU 16 24.547 0.030 5.620 126 HD12 LEU 16 2HD1 LEU 16 25.176 1.672 5.760 127 HD13 LEU 16 3HD1 LEU 16 25.789 0.400 6.817 128 HD21 LEU 16 1HD2 LEU 16 26.441 -1.842 4.568 129 HD22 LEU 16 2HD2 LEU 16 27.051 -1.308 6.135 130 HD23 LEU 16 3HD2 LEU 16 28.071 -1.186 4.703 131 H LEU 17 H LEU 17 26.840 -1.346 0.912 132 HA LEU 17 HA LEU 17 28.662 -3.039 2.265 133 HB2 LEU 17 1HB LEU 17 26.838 -3.831 0.762 134 HB3 LEU 17 2HB LEU 17 27.752 -3.221 -0.618 135 HG LEU 17 HG LEU 17 29.684 -4.677 0.155 136 HD11 LEU 17 1HD1 LEU 17 27.494 -5.655 2.001 137 HD12 LEU 17 2HD1 LEU 17 29.107 -5.091 2.439 138 HD13 LEU 17 3HD1 LEU 17 28.908 -6.633 1.605 139 HD21 LEU 17 1HD2 LEU 17 28.096 -5.286 -1.691 140 HD22 LEU 17 2HD2 LEU 17 27.112 -6.144 -0.506 141 HD23 LEU 17 3HD2 LEU 17 28.753 -6.689 -0.850 142 H LEU 18 H LEU 18 28.977 -1.083 -0.678 143 HA LEU 18 HA LEU 18 31.637 -1.754 -1.305 144 HB2 LEU 18 1HB LEU 18 30.218 0.886 -1.749 145 HB3 LEU 18 2HB LEU 18 31.677 0.343 -2.578 146 HG LEU 18 HG LEU 18 29.009 -1.097 -2.669 147 HD11 LEU 18 1HD1 LEU 18 28.842 1.011 -3.865 148 HD12 LEU 18 2HD1 LEU 18 28.999 -0.288 -5.048 149 HD13 LEU 18 3HD1 LEU 18 30.390 0.725 -4.662 150 HD21 LEU 18 1HD2 LEU 18 30.258 -2.163 -4.691 151 HD22 LEU 18 2HD2 LEU 18 30.682 -2.713 -3.070 152 HD23 LEU 18 3HD2 LEU 18 31.720 -1.561 -3.911 153 H LEU 19 H LEU 19 30.281 0.782 0.780 154 HA LEU 19 HA LEU 19 32.694 2.032 1.502 155 HB2 LEU 19 1HB LEU 19 30.419 2.907 2.025 156 HB3 LEU 19 2HB LEU 19 30.247 1.642 3.242 157 HG LEU 19 HG LEU 19 32.377 2.522 4.306 158 HD11 LEU 19 1HD1 LEU 19 32.748 5.013 3.677 159 HD12 LEU 19 2HD1 LEU 19 31.903 4.610 2.182 160 HD13 LEU 19 3HD1 LEU 19 33.405 3.783 2.596 161 HD21 LEU 19 1HD2 LEU 19 31.225 4.388 5.412 162 HD22 LEU 19 2HD2 LEU 19 30.103 3.050 5.163 163 HD23 LEU 19 3HD2 LEU 19 30.047 4.457 4.102 164 H ALA 20 H ALA 20 31.066 -0.823 2.814 165 HA ALA 20 HA ALA 20 32.664 -1.136 5.118 166 HB1 ALA 20 1HB ALA 20 30.457 -2.307 4.518 167 HB2 ALA 20 2HB ALA 20 31.687 -3.273 5.332 168 HB3 ALA 20 3HB ALA 20 31.450 -3.432 3.592 169 H CYS 21 H CYS 21 33.007 -2.430 1.830 170 HA CYS 21 HA CYS 21 35.172 -4.152 2.339 171 HB2 CYS 21 1HB CYS 21 34.413 -2.667 -0.187 172 HB3 CYS 21 2HB CYS 21 35.611 -3.958 -0.108 173 HG CYS 21 HG CYS 21 33.719 -5.621 0.578 174 H ILE 22 H ILE 22 35.096 -0.764 1.269 175 HA ILE 22 HA ILE 22 37.865 -0.448 0.882 176 HB ILE 22 HB ILE 22 35.855 1.646 1.760 177 HG12 ILE 22 1HG1 ILE 22 36.782 0.894 -1.030 178 HG13 ILE 22 2HG1 ILE 22 35.255 0.364 -0.324 179 HG21 ILE 22 1HG2 ILE 22 38.512 1.905 0.314 180 HG22 ILE 22 2HG2 ILE 22 38.227 2.340 1.999 181 HG23 ILE 22 3HG2 ILE 22 37.417 3.230 0.710 182 HD11 ILE 22 1HD1 ILE 22 34.734 2.828 0.080 183 HD12 ILE 22 2HD1 ILE 22 34.739 2.314 -1.606 184 HD13 ILE 22 3HD1 ILE 22 36.119 3.195 -0.949 185 H PHE 23 H PHE 23 35.844 0.093 3.744 186 HA PHE 23 HA PHE 23 37.822 1.191 5.413 187 HB2 PHE 23 1HB PHE 23 35.366 1.163 5.861 188 HB3 PHE 23 2HB PHE 23 35.489 -0.548 6.220 189 HD1 PHE 23 HD1 PHE 23 36.423 2.856 7.328 190 HD2 PHE 23 HD2 PHE 23 36.364 -1.320 8.331 191 HE1 PHE 23 HE1 PHE 23 36.966 3.414 9.682 192 HE2 PHE 23 HE2 PHE 23 36.909 -0.763 10.684 193 HZ PHE 23 HZ PHE 23 37.210 1.604 11.361 194 H LEU 24 H LEU 24 36.793 -2.173 4.927 195 HA LEU 24 HA LEU 24 38.312 -3.333 6.978 196 HB2 LEU 24 1HB LEU 24 36.503 -4.485 5.709 197 HB3 LEU 24 2HB LEU 24 37.585 -4.587 4.320 198 HG LEU 24 HG LEU 24 39.237 -5.785 5.830 199 HD11 LEU 24 1HD1 LEU 24 36.866 -5.532 7.662 200 HD12 LEU 24 2HD1 LEU 24 38.574 -5.288 8.021 201 HD13 LEU 24 3HD1 LEU 24 37.943 -6.921 7.806 202 HD21 LEU 24 1HD2 LEU 24 37.908 -7.055 4.247 203 HD22 LEU 24 2HD2 LEU 24 36.506 -7.001 5.316 204 HD23 LEU 24 3HD2 LEU 24 37.929 -7.937 5.773 205 H ILE 25 H ILE 25 39.124 -2.666 3.595 206 HA ILE 25 HA ILE 25 41.631 -3.963 3.576 207 HB ILE 25 HB ILE 25 40.722 -1.572 1.950 208 HG12 ILE 25 1HG1 ILE 25 40.690 -4.519 1.242 209 HG13 ILE 25 2HG1 ILE 25 39.282 -3.657 1.859 210 HG21 ILE 25 1HG2 ILE 25 42.922 -3.612 1.471 211 HG22 ILE 25 2HG2 ILE 25 43.162 -1.907 1.850 212 HG23 ILE 25 3HG2 ILE 25 42.415 -2.374 0.322 213 HD11 ILE 25 1HD1 ILE 25 39.313 -3.770 -0.633 214 HD12 ILE 25 2HD1 ILE 25 40.827 -2.865 -0.626 215 HD13 ILE 25 3HD1 ILE 25 39.348 -2.112 -0.030 216 H LYS 26 H LYS 26 40.725 -0.627 4.408 217 HA LYS 26 HA LYS 26 43.323 0.440 4.455 218 HB2 LYS 26 1HB LYS 26 41.236 1.789 4.470 219 HB3 LYS 26 2HB LYS 26 40.965 1.303 6.143 220 HG2 LYS 26 1HG LYS 26 43.170 2.286 6.755 221 HG3 LYS 26 2HG LYS 26 43.356 2.843 5.093 222 HD2 LYS 26 1HD LYS 26 41.207 4.112 5.338 223 HD3 LYS 26 2HD LYS 26 41.185 3.660 7.043 224 HE2 LYS 26 1HE LYS 26 43.506 4.693 7.221 225 HE3 LYS 26 2HE LYS 26 43.237 5.359 5.609 226 HZ1 LYS 26 1HZ LYS 26 42.617 6.909 7.381 227 HZ2 LYS 26 2HZ LYS 26 41.463 5.798 7.950 228 HZ3 LYS 26 3HZ LYS 26 41.290 6.495 6.410 229 H ILE 27 H ILE 27 41.386 -1.028 7.044 230 HA ILE 27 HA ILE 27 43.507 -0.726 8.981 231 HB ILE 27 HB ILE 27 40.931 -2.315 9.086 232 HG12 ILE 27 1HG1 ILE 27 40.585 -0.377 10.875 233 HG13 ILE 27 2HG1 ILE 27 41.813 0.436 9.907 234 HG21 ILE 27 1HG2 ILE 27 41.450 -2.191 11.627 235 HG22 ILE 27 2HG2 ILE 27 43.119 -1.907 11.131 236 HG23 ILE 27 3HG2 ILE 27 42.307 -3.405 10.677 237 HD11 ILE 27 1HD1 ILE 27 39.299 0.756 9.296 238 HD12 ILE 27 2HD1 ILE 27 39.444 -0.846 8.573 239 HD13 ILE 27 3HD1 ILE 27 40.460 0.475 8.001 240 H LEU 28 H LEU 28 42.525 -3.255 6.739 241 HA LEU 28 HA LEU 28 43.765 -5.458 7.925 242 HB2 LEU 28 1HB LEU 28 42.223 -5.553 5.971 243 HB3 LEU 28 2HB LEU 28 43.510 -4.894 4.962 244 HG LEU 28 HG LEU 28 44.955 -6.839 5.718 245 HD11 LEU 28 1HD1 LEU 28 42.315 -7.570 6.967 246 HD12 LEU 28 2HD1 LEU 28 43.932 -7.654 7.667 247 HD13 LEU 28 3HD1 LEU 28 43.434 -8.832 6.453 248 HD21 LEU 28 1HD2 LEU 28 43.852 -6.811 3.517 249 HD22 LEU 28 2HD2 LEU 28 42.381 -7.466 4.237 250 HD23 LEU 28 3HD2 LEU 28 43.848 -8.444 4.185 251 H ALA 29 H ALA 29 45.067 -2.976 5.766 252 HA ALA 29 HA ALA 29 47.609 -4.063 5.324 253 HB1 ALA 29 1HB ALA 29 48.305 -1.582 5.163 254 HB2 ALA 29 2HB ALA 29 46.605 -1.227 5.472 255 HB3 ALA 29 3HB ALA 29 47.067 -2.160 4.047 256 H ALA 30 H ALA 30 46.444 -2.000 7.968 257 HA ALA 30 HA ALA 30 48.916 -2.009 9.407 258 HB1 ALA 30 1HB ALA 30 46.976 -0.347 9.612 259 HB2 ALA 30 2HB ALA 30 47.750 -0.871 11.108 260 HB3 ALA 30 3HB ALA 30 46.201 -1.563 10.627 261 H SER 31 H SER 31 46.320 -4.306 9.153 262 HA SER 31 HA SER 31 46.282 -5.458 11.680 263 HB2 SER 31 1HB SER 31 44.728 -6.010 9.805 264 HB3 SER 31 2HB SER 31 46.026 -6.927 9.049 265 HG SER 31 HG SER 31 45.301 -8.482 10.276 266 H ALA 32 H ALA 32 48.588 -5.945 9.042 267 HA ALA 32 HA ALA 32 49.823 -8.279 9.999 268 HB1 ALA 32 1HB ALA 32 51.124 -6.008 8.479 269 HB2 ALA 32 2HB ALA 32 50.189 -7.308 7.740 270 HB3 ALA 32 3HB ALA 32 51.699 -7.673 8.576 271 H LEU 33 H LEU 33 50.775 -4.864 10.486 272 HA LEU 33 HA LEU 33 53.012 -5.405 12.105 273 HB2 LEU 33 1HB LEU 33 51.221 -2.962 12.134 274 HB3 LEU 33 2HB LEU 33 52.858 -3.055 12.784 275 HG LEU 33 HG LEU 33 52.128 -3.546 9.881 276 HD11 LEU 33 1HD1 LEU 33 52.972 -1.363 9.413 277 HD12 LEU 33 2HD1 LEU 33 53.613 -1.182 11.046 278 HD13 LEU 33 3HD1 LEU 33 51.870 -1.160 10.774 279 HD21 LEU 33 1HD2 LEU 33 54.126 -4.737 10.338 280 HD22 LEU 33 2HD2 LEU 33 54.716 -3.492 11.441 281 HD23 LEU 33 3HD2 LEU 33 54.689 -3.191 9.703 282 H TRP 34 H TRP 34 49.605 -4.914 12.923 283 HA TRP 34 HA TRP 34 49.921 -4.735 15.721 284 HB2 TRP 34 1HB TRP 34 47.869 -4.149 14.395 285 HB3 TRP 34 2HB TRP 34 47.549 -5.866 14.240 286 HD1 TRP 34 HD1 TRP 34 46.396 -7.058 16.216 287 HE1 TRP 34 HE1 TRP 34 45.500 -6.282 18.504 288 HE3 TRP 34 HE3 TRP 34 48.395 -2.363 16.399 289 HZ2 TRP 34 HZ2 TRP 34 45.616 -3.970 20.194 290 HZ3 TRP 34 HZ3 TRP 34 47.989 -0.899 18.352 291 HH2 TRP 34 HH2 TRP 34 46.604 -1.693 20.248 292 H ALA 35 H ALA 35 49.303 -7.521 13.610 293 HA ALA 35 HA ALA 35 48.944 -9.430 15.648 294 HB1 ALA 35 1HB ALA 35 48.418 -9.645 13.151 295 HB2 ALA 35 2HB ALA 35 49.100 -11.065 13.945 296 HB3 ALA 35 3HB ALA 35 50.124 -10.039 12.942 297 H ALA 36 H ALA 36 51.850 -8.385 13.900 298 HA ALA 36 HA ALA 36 53.647 -10.257 14.970 299 HB1 ALA 36 1HB ALA 36 55.327 -8.290 14.591 300 HB2 ALA 36 2HB ALA 36 53.940 -7.484 13.859 301 HB3 ALA 36 3HB ALA 36 54.519 -9.015 13.201 302 H ALA 37 H ALA 37 52.543 -7.129 16.206 303 HA ALA 37 HA ALA 37 54.264 -7.017 18.456 304 HB1 ALA 37 1HB ALA 37 52.294 -5.538 19.351 305 HB2 ALA 37 2HB ALA 37 51.670 -5.712 17.710 306 HB3 ALA 37 3HB ALA 37 53.251 -4.980 17.978 307 H TRP 38 H TRP 38 51.072 -8.454 17.949 308 HA TRP 38 HA TRP 38 50.383 -9.027 20.590 309 HB2 TRP 38 1HB TRP 38 48.913 -9.311 18.603 310 HB3 TRP 38 2HB TRP 38 49.837 -10.736 18.163 311 HD1 TRP 38 HD1 TRP 38 49.098 -12.958 19.181 312 HE1 TRP 38 HE1 TRP 38 47.381 -13.663 20.968 313 HE3 TRP 38 HE3 TRP 38 47.777 -8.370 20.990 314 HZ2 TRP 38 HZ2 TRP 38 45.670 -12.440 22.914 315 HZ3 TRP 38 HZ3 TRP 38 46.105 -8.168 22.805 316 HH2 TRP 38 HH2 TRP 38 45.050 -10.192 23.769 317 H HIS 39 H HIS 39 52.516 -10.776 18.375 318 HA HIS 39 HA HIS 39 52.786 -13.087 20.042 319 HB2 HIS 39 1HB HIS 39 54.516 -12.037 17.801 320 HB3 HIS 39 2HB HIS 39 54.721 -13.601 18.567 321 HD1 HIS 39 HD1 HIS 39 52.748 -11.802 16.010 322 HD2 HIS 39 HD2 HIS 39 52.556 -15.467 17.987 323 HE1 HIS 39 HE1 HIS 39 51.106 -13.229 14.714 324 H GLY 40 H GLY 40 54.642 -13.729 21.237 325 HA2 GLY 40 1HA GLY 40 56.760 -13.297 22.262 326 HA3 GLY 40 2HA GLY 40 56.494 -11.577 22.021 327 H GLN 41 H GLN 41 53.622 -12.017 23.083 328 HA GLN 41 HA GLN 41 54.373 -11.786 25.917 329 HB2 GLN 41 1HB GLN 41 53.063 -9.948 24.856 330 HB3 GLN 41 2HB GLN 41 51.752 -11.093 24.569 331 HG2 GLN 41 1HG GLN 41 51.567 -11.519 26.978 332 HG3 GLN 41 2HG GLN 41 52.910 -10.422 27.289 333 HE21 GLN 41 1HE2 GLN 41 50.570 -9.796 28.575 334 HE22 GLN 41 2HE2 GLN 41 49.810 -8.467 27.842 335 H LYS 42 H LYS 42 54.068 -13.466 27.215 336 HA LYS 42 HA LYS 42 52.621 -15.788 26.372 337 HB2 LYS 42 1HB LYS 42 54.677 -15.787 27.831 338 HB3 LYS 42 2HB LYS 42 53.675 -15.155 29.137 339 HG2 LYS 42 1HG LYS 42 52.210 -17.132 28.975 340 HG3 LYS 42 2HG LYS 42 53.209 -17.767 27.667 341 HD2 LYS 42 1HD LYS 42 54.435 -17.052 30.324 342 HD3 LYS 42 2HD LYS 42 53.666 -18.621 30.079 343 HE2 LYS 42 1HE LYS 42 55.738 -17.572 28.153 344 HE3 LYS 42 2HE LYS 42 56.199 -18.464 29.603 345 HZ1 LYS 42 1HZ LYS 42 54.235 -19.480 27.629 346 HZ2 LYS 42 2HZ LYS 42 54.976 -20.339 28.893 347 HZ3 LYS 42 3HZ LYS 42 55.892 -19.837 27.552 348 HA PRO 43 HA PRO 43 48.557 -14.544 27.871 349 HB2 PRO 43 1HB PRO 43 47.780 -17.049 28.944 350 HB3 PRO 43 2HB PRO 43 47.449 -16.444 27.312 351 HG2 PRO 43 1HG PRO 43 49.562 -18.289 28.246 352 HG3 PRO 43 2HG PRO 43 48.691 -18.244 26.702 353 HD2 PRO 43 1HD PRO 43 51.232 -17.392 26.868 354 HD3 PRO 43 2HD PRO 43 50.058 -16.573 25.814 355 H GLY 44 H GLY 44 47.446 -14.179 29.883 356 HA2 GLY 44 1HA GLY 44 48.419 -15.110 32.390 357 HA3 GLY 44 2HA GLY 44 49.054 -13.503 32.046 358 H THR 45 H THR 45 47.712 -13.208 34.120 359 HA THR 45 HA THR 45 44.845 -13.053 33.769 360 HB THR 45 HB THR 45 44.819 -12.180 36.046 361 HG1 THR 45 HG1 THR 45 47.567 -11.920 35.531 362 HG21 THR 45 1HG2 THR 45 45.856 -14.073 37.189 363 HG22 THR 45 2HG2 THR 45 46.850 -14.412 35.771 364 HG23 THR 45 3HG2 THR 45 45.101 -14.626 35.694 365 H HIS 46 H HIS 46 43.661 -11.019 34.187 366 HA HIS 46 HA HIS 46 44.331 -9.016 32.356 367 HB2 HIS 46 1HB HIS 46 42.549 -8.840 34.788 368 HB3 HIS 46 2HB HIS 46 42.589 -7.672 33.481 369 HD1 HIS 46 HD1 HIS 46 41.344 -11.072 34.392 370 HD2 HIS 46 HD2 HIS 46 41.348 -8.572 31.054 371 HE1 HIS 46 HE1 HIS 46 39.697 -12.069 32.748 Start of MODEL 10 1 H ARG 1 3H ARG 1 7.693 6.672 -1.419 2 HA ARG 1 HA ARG 1 8.553 6.516 -3.609 3 HB2 ARG 1 1HB ARG 1 8.612 3.848 -2.166 4 HB3 ARG 1 2HB ARG 1 9.717 4.315 -3.460 5 HG2 ARG 1 1HG ARG 1 10.491 6.233 -2.120 6 HG3 ARG 1 2HG ARG 1 9.383 5.781 -0.826 7 HD2 ARG 1 1HD ARG 1 11.547 4.914 -0.241 8 HD3 ARG 1 2HD ARG 1 10.550 3.547 -0.718 9 HE ARG 1 HE ARG 1 12.817 4.666 -2.193 10 HH11 ARG 1 1HH1 ARG 1 10.137 2.392 -2.220 11 HH12 ARG 1 2HH1 ARG 1 10.844 1.429 -3.471 12 HH21 ARG 1 1HH2 ARG 1 13.666 3.386 -3.808 13 HH22 ARG 1 2HH2 ARG 1 12.812 1.984 -4.360 14 H SER 2 H SER 2 6.492 6.753 -4.851 15 HA SER 2 HA SER 2 4.926 4.568 -5.673 16 HB2 SER 2 1HB SER 2 4.048 6.016 -7.342 17 HB3 SER 2 2HB SER 2 4.442 7.052 -5.975 18 HG SER 2 HG SER 2 5.688 6.775 -8.467 19 H LEU 3 H LEU 3 4.957 3.299 -7.529 20 HA LEU 3 HA LEU 3 7.458 2.404 -8.475 21 HB2 LEU 3 1HB LEU 3 4.729 2.076 -9.743 22 HB3 LEU 3 2HB LEU 3 6.161 1.113 -10.105 23 HG LEU 3 HG LEU 3 4.878 1.313 -7.364 24 HD11 LEU 3 1HD1 LEU 3 3.439 0.144 -9.018 25 HD12 LEU 3 2HD1 LEU 3 4.066 -0.963 -7.796 26 HD13 LEU 3 3HD1 LEU 3 4.784 -0.929 -9.407 27 HD21 LEU 3 1HD2 LEU 3 7.169 -0.288 -8.525 28 HD22 LEU 3 2HD2 LEU 3 6.343 -0.773 -7.043 29 HD23 LEU 3 3HD2 LEU 3 7.189 0.773 -7.115 30 H LEU 4 H LEU 4 5.340 4.945 -9.625 31 HA LEU 4 HA LEU 4 6.078 5.032 -12.326 32 HB2 LEU 4 1HB LEU 4 5.283 7.336 -10.534 33 HB3 LEU 4 2HB LEU 4 5.241 7.332 -12.296 34 HG LEU 4 HG LEU 4 3.667 5.434 -10.530 35 HD11 LEU 4 1HD1 LEU 4 2.596 7.492 -10.217 36 HD12 LEU 4 2HD1 LEU 4 1.749 6.851 -11.625 37 HD13 LEU 4 3HD1 LEU 4 3.012 8.065 -11.833 38 HD21 LEU 4 1HD2 LEU 4 3.965 4.345 -12.598 39 HD22 LEU 4 2HD2 LEU 4 3.918 5.856 -13.505 40 HD23 LEU 4 3HD2 LEU 4 2.434 5.193 -12.819 41 H GLU 5 H GLU 5 7.713 6.276 -9.468 42 HA GLU 5 HA GLU 5 9.381 8.177 -10.706 43 HB2 GLU 5 1HB GLU 5 9.905 6.439 -8.281 44 HB3 GLU 5 2HB GLU 5 10.867 7.843 -8.744 45 HG2 GLU 5 1HG GLU 5 8.820 9.252 -8.611 46 HG3 GLU 5 2HG GLU 5 7.914 7.849 -8.063 47 H GLY 6 H GLY 6 9.869 4.718 -10.074 48 HA2 GLY 6 1HA GLY 6 10.911 3.171 -11.461 49 HA3 GLY 6 2HA GLY 6 11.419 4.487 -12.506 50 H GLU 7 H GLU 7 12.779 6.015 -10.415 51 HA GLU 7 HA GLU 7 15.198 4.325 -10.282 52 HB2 GLU 7 1HB GLU 7 15.286 6.403 -11.675 53 HB3 GLU 7 2HB GLU 7 15.009 7.342 -10.208 54 HG2 GLU 7 1HG GLU 7 17.033 6.307 -9.197 55 HG3 GLU 7 2HG GLU 7 17.329 5.459 -10.708 56 H ILE 8 H ILE 8 16.385 4.162 -8.429 57 HA ILE 8 HA ILE 8 15.142 5.209 -5.965 58 HB ILE 8 HB ILE 8 15.272 2.759 -6.112 59 HG12 ILE 8 1HG1 ILE 8 17.289 3.876 -4.141 60 HG13 ILE 8 2HG1 ILE 8 15.539 3.917 -3.924 61 HG21 ILE 8 1HG2 ILE 8 18.265 3.200 -6.325 62 HG22 ILE 8 2HG2 ILE 8 17.222 2.606 -7.616 63 HG23 ILE 8 3HG2 ILE 8 17.466 1.636 -6.166 64 HD11 ILE 8 1HD1 ILE 8 16.521 2.000 -2.728 65 HD12 ILE 8 2HD1 ILE 8 17.208 1.406 -4.240 66 HD13 ILE 8 3HD1 ILE 8 15.459 1.457 -4.025 67 HA PRO 9 HA PRO 9 18.865 7.656 -5.822 68 HB2 PRO 9 1HB PRO 9 18.593 8.856 -3.406 69 HB3 PRO 9 2HB PRO 9 17.553 9.247 -4.789 70 HG2 PRO 9 1HG PRO 9 16.946 7.712 -2.361 71 HG3 PRO 9 2HG PRO 9 15.868 8.624 -3.426 72 HD2 PRO 9 1HD PRO 9 16.263 5.806 -3.392 73 HD3 PRO 9 2HD PRO 9 15.294 6.741 -4.549 74 H PHE 10 H PHE 10 20.307 5.773 -5.742 75 HA PHE 10 HA PHE 10 22.102 4.644 -4.850 76 HB2 PHE 10 1HB PHE 10 21.915 6.825 -2.772 77 HB3 PHE 10 2HB PHE 10 23.273 5.735 -2.977 78 HD1 PHE 10 HD1 PHE 10 24.272 5.688 -5.456 79 HD2 PHE 10 HD2 PHE 10 21.999 8.914 -3.762 80 HE1 PHE 10 HE1 PHE 10 25.255 7.251 -7.114 81 HE2 PHE 10 HE2 PHE 10 22.982 10.477 -5.418 82 HZ PHE 10 HZ PHE 10 24.610 9.646 -7.094 83 HA PRO 11 HA PRO 11 19.203 2.315 -2.082 84 HB2 PRO 11 1HB PRO 11 21.171 0.168 -2.747 85 HB3 PRO 11 2HB PRO 11 19.398 0.105 -2.723 86 HG2 PRO 11 1HG PRO 11 20.757 0.221 -5.007 87 HG3 PRO 11 2HG PRO 11 19.197 1.038 -4.805 88 HD2 PRO 11 1HD PRO 11 21.928 2.219 -4.914 89 HD3 PRO 11 2HD PRO 11 20.370 2.921 -5.403 90 HA PRO 12 HA PRO 12 21.778 2.974 1.454 91 HB2 PRO 12 1HB PRO 12 20.618 1.338 3.342 92 HB3 PRO 12 2HB PRO 12 19.959 2.908 2.847 93 HG2 PRO 12 1HG PRO 12 19.145 0.174 2.023 94 HG3 PRO 12 2HG PRO 12 18.150 1.606 2.342 95 HD2 PRO 12 1HD PRO 12 18.744 0.778 -0.183 96 HD3 PRO 12 2HD PRO 12 18.480 2.486 0.231 97 H THR 13 H THR 13 20.893 -0.497 1.487 98 HA THR 13 HA THR 13 23.242 -1.390 2.709 99 HB THR 13 HB THR 13 21.237 -2.766 2.558 100 HG1 THR 13 HG1 THR 13 23.091 -3.925 2.817 101 HG21 THR 13 1HG2 THR 13 21.894 -2.980 -0.394 102 HG22 THR 13 2HG2 THR 13 20.563 -2.036 0.277 103 HG23 THR 13 3HG2 THR 13 20.570 -3.793 0.442 104 H SER 14 H SER 14 22.855 -0.300 -0.548 105 HA SER 14 HA SER 14 24.768 -2.172 -1.695 106 HB2 SER 14 1HB SER 14 23.409 0.251 -2.905 107 HB3 SER 14 2HB SER 14 24.393 -0.916 -3.781 108 HG SER 14 HG SER 14 22.129 -1.631 -2.230 109 H ILE 15 H ILE 15 24.522 1.345 -1.278 110 HA ILE 15 HA ILE 15 27.249 1.904 -1.816 111 HB ILE 15 HB ILE 15 25.487 3.633 -1.841 112 HG12 ILE 15 1HG1 ILE 15 27.515 4.292 0.301 113 HG13 ILE 15 2HG1 ILE 15 27.965 4.103 -1.394 114 HG21 ILE 15 1HG2 ILE 15 24.613 4.526 0.268 115 HG22 ILE 15 2HG2 ILE 15 25.519 3.315 1.174 116 HG23 ILE 15 3HG2 ILE 15 24.200 2.819 0.114 117 HD11 ILE 15 1HD1 ILE 15 27.549 6.448 -1.019 118 HD12 ILE 15 2HD1 ILE 15 26.006 6.102 -0.237 119 HD13 ILE 15 3HD1 ILE 15 26.203 5.817 -1.967 120 H LEU 16 H LEU 16 25.491 0.990 1.112 121 HA LEU 16 HA LEU 16 27.571 1.409 2.983 122 HB2 LEU 16 1HB LEU 16 25.162 0.905 3.500 123 HB3 LEU 16 2HB LEU 16 25.475 -0.772 3.058 124 HG LEU 16 HG LEU 16 27.299 0.540 5.047 125 HD11 LEU 16 1HD1 LEU 16 25.009 1.104 5.815 126 HD12 LEU 16 2HD1 LEU 16 25.786 -0.058 6.888 127 HD13 LEU 16 3HD1 LEU 16 24.571 -0.602 5.730 128 HD21 LEU 16 1HD2 LEU 16 26.355 -2.219 4.330 129 HD22 LEU 16 2HD2 LEU 16 26.924 -1.923 5.972 130 HD23 LEU 16 3HD2 LEU 16 27.995 -1.638 4.604 131 H LEU 17 H LEU 17 26.848 -1.267 0.789 132 HA LEU 17 HA LEU 17 28.582 -3.168 1.992 133 HB2 LEU 17 1HB LEU 17 26.673 -3.385 0.147 134 HB3 LEU 17 2HB LEU 17 28.034 -3.223 -0.950 135 HG LEU 17 HG LEU 17 27.616 -5.574 -0.564 136 HD11 LEU 17 1HD1 LEU 17 29.776 -6.290 -0.025 137 HD12 LEU 17 2HD1 LEU 17 29.999 -5.028 1.186 138 HD13 LEU 17 3HD1 LEU 17 30.037 -4.621 -0.530 139 HD21 LEU 17 1HD2 LEU 17 28.165 -5.237 2.374 140 HD22 LEU 17 2HD2 LEU 17 27.377 -6.576 1.540 141 HD23 LEU 17 3HD2 LEU 17 26.531 -5.041 1.740 142 H LEU 18 H LEU 18 28.993 -0.969 -0.765 143 HA LEU 18 HA LEU 18 31.630 -1.712 -1.416 144 HB2 LEU 18 1HB LEU 18 29.972 0.749 -1.870 145 HB3 LEU 18 2HB LEU 18 31.692 0.798 -2.232 146 HG LEU 18 HG LEU 18 30.300 0.225 -4.210 147 HD11 LEU 18 1HD1 LEU 18 31.910 -2.207 -3.476 148 HD12 LEU 18 2HD1 LEU 18 32.691 -0.651 -3.753 149 HD13 LEU 18 3HD1 LEU 18 31.758 -1.411 -5.042 150 HD21 LEU 18 1HD2 LEU 18 28.519 -1.028 -3.051 151 HD22 LEU 18 2HD2 LEU 18 29.668 -2.309 -2.667 152 HD23 LEU 18 3HD2 LEU 18 29.234 -1.988 -4.345 153 H LEU 19 H LEU 19 30.358 0.749 0.804 154 HA LEU 19 HA LEU 19 32.830 1.858 1.572 155 HB2 LEU 19 1HB LEU 19 30.240 1.582 3.110 156 HB3 LEU 19 2HB LEU 19 31.613 2.547 3.653 157 HG LEU 19 HG LEU 19 30.278 2.932 0.963 158 HD11 LEU 19 1HD1 LEU 19 29.101 4.818 1.938 159 HD12 LEU 19 2HD1 LEU 19 29.895 4.561 3.491 160 HD13 LEU 19 3HD1 LEU 19 28.728 3.382 2.891 161 HD21 LEU 19 1HD2 LEU 19 32.460 3.852 0.910 162 HD22 LEU 19 2HD2 LEU 19 32.358 4.405 2.581 163 HD23 LEU 19 3HD2 LEU 19 31.431 5.223 1.323 164 H ALA 20 H ALA 20 31.087 -0.989 2.739 165 HA ALA 20 HA ALA 20 32.621 -1.444 5.061 166 HB1 ALA 20 1HB ALA 20 30.403 -2.557 4.212 167 HB2 ALA 20 2HB ALA 20 31.523 -3.486 5.210 168 HB3 ALA 20 3HB ALA 20 31.499 -3.717 3.462 169 H CYS 21 H CYS 21 32.995 -2.633 1.733 170 HA CYS 21 HA CYS 21 35.150 -4.378 2.224 171 HB2 CYS 21 1HB CYS 21 34.422 -2.839 -0.280 172 HB3 CYS 21 2HB CYS 21 35.607 -4.143 -0.214 173 HG CYS 21 HG CYS 21 33.030 -4.916 -0.822 174 H ILE 22 H ILE 22 35.095 -0.967 1.226 175 HA ILE 22 HA ILE 22 37.869 -0.661 0.864 176 HB ILE 22 HB ILE 22 35.857 1.427 1.752 177 HG12 ILE 22 1HG1 ILE 22 36.834 0.721 -1.031 178 HG13 ILE 22 2HG1 ILE 22 35.294 0.181 -0.365 179 HG21 ILE 22 1HG2 ILE 22 37.433 3.035 0.799 180 HG22 ILE 22 2HG2 ILE 22 38.521 1.729 0.327 181 HG23 ILE 22 3HG2 ILE 22 38.253 2.080 2.034 182 HD11 ILE 22 1HD1 ILE 22 34.647 2.558 -0.006 183 HD12 ILE 22 2HD1 ILE 22 34.942 2.196 -1.706 184 HD13 ILE 22 3HD1 ILE 22 36.157 3.060 -0.765 185 H PHE 23 H PHE 23 35.836 -0.211 3.735 186 HA PHE 23 HA PHE 23 37.808 0.883 5.417 187 HB2 PHE 23 1HB PHE 23 35.377 0.877 5.895 188 HB3 PHE 23 2HB PHE 23 35.458 -0.852 6.182 189 HD1 PHE 23 HD1 PHE 23 36.508 -1.745 8.204 190 HD2 PHE 23 HD2 PHE 23 36.303 2.483 7.474 191 HE1 PHE 23 HE1 PHE 23 37.096 -1.308 10.573 192 HE2 PHE 23 HE2 PHE 23 36.891 2.921 9.843 193 HZ PHE 23 HZ PHE 23 37.287 1.025 11.392 194 H LEU 24 H LEU 24 36.823 -2.484 4.872 195 HA LEU 24 HA LEU 24 38.371 -3.653 6.905 196 HB2 LEU 24 1HB LEU 24 36.562 -4.808 5.640 197 HB3 LEU 24 2HB LEU 24 37.627 -4.871 4.235 198 HG LEU 24 HG LEU 24 39.313 -6.079 5.691 199 HD11 LEU 24 1HD1 LEU 24 38.217 -7.221 7.705 200 HD12 LEU 24 2HD1 LEU 24 36.937 -6.017 7.560 201 HD13 LEU 24 3HD1 LEU 24 38.592 -5.508 7.892 202 HD21 LEU 24 1HD2 LEU 24 37.837 -7.264 4.093 203 HD22 LEU 24 2HD2 LEU 24 36.597 -7.391 5.341 204 HD23 LEU 24 3HD2 LEU 24 38.131 -8.239 5.534 205 H ILE 25 H ILE 25 39.135 -2.967 3.507 206 HA ILE 25 HA ILE 25 41.654 -4.248 3.472 207 HB ILE 25 HB ILE 25 40.716 -1.883 1.824 208 HG12 ILE 25 1HG1 ILE 25 40.644 -4.847 1.188 209 HG13 ILE 25 2HG1 ILE 25 39.249 -3.931 1.757 210 HG21 ILE 25 1HG2 ILE 25 42.392 -2.666 0.197 211 HG22 ILE 25 2HG2 ILE 25 42.880 -3.949 1.305 212 HG23 ILE 25 3HG2 ILE 25 43.165 -2.261 1.730 213 HD11 ILE 25 1HD1 ILE 25 39.245 -4.099 -0.705 214 HD12 ILE 25 2HD1 ILE 25 40.834 -3.336 -0.759 215 HD13 ILE 25 3HD1 ILE 25 39.437 -2.424 -0.187 216 H LYS 26 H LYS 26 40.754 -0.866 4.118 217 HA LYS 26 HA LYS 26 43.381 0.142 4.201 218 HB2 LYS 26 1HB LYS 26 41.330 1.527 3.962 219 HB3 LYS 26 2HB LYS 26 40.946 1.202 5.651 220 HG2 LYS 26 1HG LYS 26 42.051 3.308 5.656 221 HG3 LYS 26 2HG LYS 26 43.265 2.155 6.204 222 HD2 LYS 26 1HD LYS 26 44.225 2.045 3.956 223 HD3 LYS 26 2HD LYS 26 42.967 3.120 3.345 224 HE2 LYS 26 1HE LYS 26 44.940 4.455 3.748 225 HE3 LYS 26 2HE LYS 26 43.757 4.855 4.993 226 HZ1 LYS 26 1HZ LYS 26 44.874 3.244 6.458 227 HZ2 LYS 26 2HZ LYS 26 45.888 4.529 6.001 228 HZ3 LYS 26 3HZ LYS 26 46.062 3.005 5.270 229 H ILE 27 H ILE 27 41.270 -1.070 6.791 230 HA ILE 27 HA ILE 27 43.062 -0.294 8.869 231 HB ILE 27 HB ILE 27 40.639 -0.560 9.222 232 HG12 ILE 27 1HG1 ILE 27 42.166 -2.495 10.970 233 HG13 ILE 27 2HG1 ILE 27 42.407 -0.749 11.058 234 HG21 ILE 27 1HG2 ILE 27 40.318 -2.591 7.846 235 HG22 ILE 27 2HG2 ILE 27 39.676 -2.793 9.475 236 HG23 ILE 27 3HG2 ILE 27 41.217 -3.530 9.039 237 HD11 ILE 27 1HD1 ILE 27 40.091 -0.388 11.638 238 HD12 ILE 27 2HD1 ILE 27 40.722 -1.637 12.711 239 HD13 ILE 27 3HD1 ILE 27 39.702 -2.082 11.342 240 H LEU 28 H LEU 28 42.545 -3.380 7.173 241 HA LEU 28 HA LEU 28 44.225 -4.907 8.870 242 HB2 LEU 28 1HB LEU 28 43.444 -5.343 5.979 243 HB3 LEU 28 2HB LEU 28 44.244 -6.540 6.997 244 HG LEU 28 HG LEU 28 41.589 -5.249 7.686 245 HD11 LEU 28 1HD1 LEU 28 42.158 -7.989 6.512 246 HD12 LEU 28 2HD1 LEU 28 41.439 -6.640 5.631 247 HD13 LEU 28 3HD1 LEU 28 40.575 -7.372 6.984 248 HD21 LEU 28 1HD2 LEU 28 41.572 -7.435 9.132 249 HD22 LEU 28 2HD2 LEU 28 42.515 -6.052 9.689 250 HD23 LEU 28 3HD2 LEU 28 43.319 -7.402 8.886 251 H ALA 29 H ALA 29 44.876 -3.056 5.920 252 HA ALA 29 HA ALA 29 47.459 -3.992 5.410 253 HB1 ALA 29 1HB ALA 29 46.443 -1.184 4.934 254 HB2 ALA 29 2HB ALA 29 46.099 -2.557 3.882 255 HB3 ALA 29 3HB ALA 29 47.759 -1.994 4.084 256 H ALA 30 H ALA 30 46.342 -1.470 7.623 257 HA ALA 30 HA ALA 30 49.086 -1.316 8.725 258 HB1 ALA 30 1HB ALA 30 47.187 0.997 8.268 259 HB2 ALA 30 2HB ALA 30 48.677 0.686 7.376 260 HB3 ALA 30 3HB ALA 30 48.745 1.099 9.089 261 H SER 31 H SER 31 46.989 -2.977 9.690 262 HA SER 31 HA SER 31 45.368 -1.876 11.674 263 HB2 SER 31 1HB SER 31 45.244 -4.228 10.828 264 HB3 SER 31 2HB SER 31 46.690 -4.595 11.762 265 HG SER 31 HG SER 31 44.081 -4.118 12.578 266 H ALA 32 H ALA 32 48.745 -2.931 11.835 267 HA ALA 32 HA ALA 32 49.044 -2.790 14.635 268 HB1 ALA 32 1HB ALA 32 50.777 -3.901 13.528 269 HB2 ALA 32 2HB ALA 32 51.522 -2.366 13.973 270 HB3 ALA 32 3HB ALA 32 50.956 -2.626 12.323 271 H LEU 33 H LEU 33 49.643 -0.347 12.105 272 HA LEU 33 HA LEU 33 50.724 1.614 13.819 273 HB2 LEU 33 1HB LEU 33 49.342 1.798 11.144 274 HB3 LEU 33 2HB LEU 33 49.999 3.211 11.970 275 HG LEU 33 HG LEU 33 52.170 1.751 12.164 276 HD11 LEU 33 1HD1 LEU 33 52.294 0.368 9.955 277 HD12 LEU 33 2HD1 LEU 33 50.535 0.355 10.055 278 HD13 LEU 33 3HD1 LEU 33 51.498 -0.349 11.354 279 HD21 LEU 33 1HD2 LEU 33 51.282 2.885 9.493 280 HD22 LEU 33 2HD2 LEU 33 52.948 2.666 10.028 281 HD23 LEU 33 3HD2 LEU 33 51.910 3.842 10.835 282 H TRP 34 H TRP 34 47.388 0.955 12.823 283 HA TRP 34 HA TRP 34 46.235 3.276 13.947 284 HB2 TRP 34 1HB TRP 34 45.187 0.589 13.147 285 HB3 TRP 34 2HB TRP 34 44.149 1.702 14.017 286 HD1 TRP 34 HD1 TRP 34 46.371 1.718 10.849 287 HE1 TRP 34 HE1 TRP 34 45.206 3.166 9.066 288 HE3 TRP 34 HE3 TRP 34 42.322 3.309 13.519 289 HZ2 TRP 34 HZ2 TRP 34 42.860 4.788 8.805 290 HZ3 TRP 34 HZ3 TRP 34 40.640 4.801 12.483 291 HH2 TRP 34 HH2 TRP 34 40.901 5.543 10.133 292 H ALA 35 H ALA 35 46.742 0.022 15.286 293 HA ALA 35 HA ALA 35 45.349 0.443 17.702 294 HB1 ALA 35 1HB ALA 35 46.312 -1.745 16.615 295 HB2 ALA 35 2HB ALA 35 46.181 -1.616 18.369 296 HB3 ALA 35 3HB ALA 35 47.738 -1.360 17.579 297 H ALA 36 H ALA 36 48.783 0.833 16.878 298 HA ALA 36 HA ALA 36 49.681 1.507 19.462 299 HB1 ALA 36 1HB ALA 36 51.700 2.135 18.443 300 HB2 ALA 36 2HB ALA 36 50.900 2.637 16.954 301 HB3 ALA 36 3HB ALA 36 51.044 0.924 17.343 302 H ALA 37 H ALA 37 48.442 3.509 16.811 303 HA ALA 37 HA ALA 37 48.962 6.018 18.013 304 HB1 ALA 37 1HB ALA 37 48.434 5.729 15.614 305 HB2 ALA 37 2HB ALA 37 47.377 6.912 16.385 306 HB3 ALA 37 3HB ALA 37 46.782 5.287 16.045 307 H TRP 38 H TRP 38 46.214 3.804 18.208 308 HA TRP 38 HA TRP 38 44.350 5.474 19.441 309 HB2 TRP 38 1HB TRP 38 43.932 3.171 18.572 310 HB3 TRP 38 2HB TRP 38 44.752 2.535 19.986 311 HD1 TRP 38 HD1 TRP 38 43.252 1.981 21.952 312 HE1 TRP 38 HE1 TRP 38 40.867 2.622 22.690 313 HE3 TRP 38 HE3 TRP 38 42.100 5.405 18.342 314 HZ2 TRP 38 HZ2 TRP 38 38.747 4.361 21.860 315 HZ3 TRP 38 HZ3 TRP 38 39.899 6.537 18.339 316 HH2 TRP 38 HH2 TRP 38 38.222 6.021 20.089 317 H HIS 39 H HIS 39 47.073 3.708 20.836 318 HA HIS 39 HA HIS 39 46.302 4.048 23.556 319 HB2 HIS 39 1HB HIS 39 47.912 2.344 22.842 320 HB3 HIS 39 2HB HIS 39 49.029 3.597 22.338 321 HD1 HIS 39 HD1 HIS 39 50.375 4.803 24.180 322 HD2 HIS 39 HD2 HIS 39 47.724 1.950 25.666 323 HE1 HIS 39 HE1 HIS 39 50.976 4.469 26.616 324 H GLY 40 H GLY 40 46.636 5.681 24.949 325 HA2 GLY 40 1HA GLY 40 48.524 7.582 25.168 326 HA3 GLY 40 2HA GLY 40 47.517 8.234 23.876 327 H GLN 41 H GLN 41 45.786 9.404 24.434 328 HA GLN 41 HA GLN 41 44.999 9.464 27.268 329 HB2 GLN 41 1HB GLN 41 45.602 11.599 26.116 330 HB3 GLN 41 2HB GLN 41 44.232 11.356 25.032 331 HG2 GLN 41 1HG GLN 41 43.421 12.783 26.757 332 HG3 GLN 41 2HG GLN 41 42.785 11.185 27.139 333 HE21 GLN 41 1HE2 GLN 41 43.094 10.575 29.279 334 HE22 GLN 41 2HE2 GLN 41 44.330 11.155 30.288 335 H LYS 42 H LYS 42 43.188 8.501 27.913 336 HA LYS 42 HA LYS 42 41.060 7.960 25.922 337 HB2 LYS 42 1HB LYS 42 42.538 5.966 26.737 338 HB3 LYS 42 2HB LYS 42 41.595 6.104 28.222 339 HG2 LYS 42 1HG LYS 42 40.252 5.981 25.523 340 HG3 LYS 42 2HG LYS 42 40.701 4.512 26.391 341 HD2 LYS 42 1HD LYS 42 39.460 5.551 28.405 342 HD3 LYS 42 2HD LYS 42 38.752 6.657 27.228 343 HE2 LYS 42 1HE LYS 42 38.673 3.653 26.888 344 HE3 LYS 42 2HE LYS 42 37.398 4.550 27.712 345 HZ1 LYS 42 1HZ LYS 42 37.266 4.097 25.163 346 HZ2 LYS 42 2HZ LYS 42 38.282 5.455 25.066 347 HZ3 LYS 42 3HZ LYS 42 36.754 5.584 25.797 348 HA PRO 43 HA PRO 43 39.235 10.130 29.556 349 HB2 PRO 43 1HB PRO 43 37.789 12.000 28.245 350 HB3 PRO 43 2HB PRO 43 39.527 12.198 28.547 351 HG2 PRO 43 1HG PRO 43 38.121 11.416 26.054 352 HG3 PRO 43 2HG PRO 43 39.565 12.419 26.274 353 HD2 PRO 43 1HD PRO 43 39.599 9.741 25.519 354 HD3 PRO 43 2HD PRO 43 40.973 10.618 26.227 355 H GLY 44 H GLY 44 37.702 8.783 30.351 356 HA2 GLY 44 1HA GLY 44 35.043 8.827 29.277 357 HA3 GLY 44 2HA GLY 44 35.831 7.273 29.017 358 H THR 45 H THR 45 33.727 6.970 30.474 359 HA THR 45 HA THR 45 34.661 6.849 33.284 360 HB THR 45 HB THR 45 31.810 7.279 32.363 361 HG1 THR 45 HG1 THR 45 32.141 9.383 33.090 362 HG21 THR 45 1HG2 THR 45 31.372 7.667 34.729 363 HG22 THR 45 2HG2 THR 45 33.082 7.455 35.109 364 HG23 THR 45 3HG2 THR 45 32.130 6.085 34.533 365 H HIS 46 H HIS 46 34.305 4.959 34.370 366 HA HIS 46 HA HIS 46 32.776 2.833 33.016 367 HB2 HIS 46 1HB HIS 46 35.570 2.561 34.129 368 HB3 HIS 46 2HB HIS 46 34.561 1.217 33.632 369 HD1 HIS 46 HD1 HIS 46 33.855 1.269 30.994 370 HD2 HIS 46 HD2 HIS 46 37.090 3.654 32.100 371 HE1 HIS 46 HE1 HIS 46 35.100 1.820 28.860 Start of MODEL 11 1 H ARG 1 3H ARG 1 30.296 16.919 2.852 2 HA ARG 1 HA ARG 1 31.095 17.970 0.304 3 HB2 ARG 1 1HB ARG 1 31.466 15.262 1.619 4 HB3 ARG 1 2HB ARG 1 32.406 15.908 0.275 5 HG2 ARG 1 1HG ARG 1 32.255 17.193 3.017 6 HG3 ARG 1 2HG ARG 1 33.560 16.129 2.491 7 HD2 ARG 1 1HD ARG 1 33.991 17.690 0.581 8 HD3 ARG 1 2HD ARG 1 32.781 18.781 1.248 9 HE ARG 1 HE ARG 1 35.448 18.276 2.304 10 HH11 ARG 1 1HH1 ARG 1 32.289 19.678 2.919 11 HH12 ARG 1 2HH1 ARG 1 32.880 20.703 4.184 12 HH21 ARG 1 1HH2 ARG 1 36.150 19.618 3.941 13 HH22 ARG 1 2HH2 ARG 1 35.038 20.668 4.755 14 H SER 2 H SER 2 29.410 14.982 1.310 15 HA SER 2 HA SER 2 28.668 14.150 -1.257 16 HB2 SER 2 1HB SER 2 27.112 12.662 -0.153 17 HB3 SER 2 2HB SER 2 28.592 12.748 0.795 18 HG SER 2 HG SER 2 27.562 13.860 2.315 19 H LEU 3 H LEU 3 27.193 16.550 0.831 20 HA LEU 3 HA LEU 3 24.606 16.605 -0.244 21 HB2 LEU 3 1HB LEU 3 26.347 18.631 1.123 22 HB3 LEU 3 2HB LEU 3 24.825 19.147 0.415 23 HG LEU 3 HG LEU 3 24.632 18.582 2.826 24 HD11 LEU 3 1HD1 LEU 3 22.550 17.560 2.625 25 HD12 LEU 3 2HD1 LEU 3 23.084 16.499 1.322 26 HD13 LEU 3 3HD1 LEU 3 22.799 18.209 1.004 27 HD21 LEU 3 1HD2 LEU 3 25.062 15.700 2.017 28 HD22 LEU 3 2HD2 LEU 3 24.894 16.357 3.645 29 HD23 LEU 3 3HD2 LEU 3 26.346 16.695 2.702 30 H LEU 4 H LEU 4 27.610 18.038 -1.416 31 HA LEU 4 HA LEU 4 26.532 19.847 -3.276 32 HB2 LEU 4 1HB LEU 4 29.120 18.286 -3.466 33 HB3 LEU 4 2HB LEU 4 28.724 19.750 -4.366 34 HG LEU 4 HG LEU 4 28.849 19.571 -1.340 35 HD11 LEU 4 1HD1 LEU 4 30.781 20.957 -3.213 36 HD12 LEU 4 2HD1 LEU 4 31.054 19.328 -2.597 37 HD13 LEU 4 3HD1 LEU 4 30.964 20.688 -1.479 38 HD21 LEU 4 1HD2 LEU 4 28.899 22.121 -1.650 39 HD22 LEU 4 2HD2 LEU 4 27.353 21.328 -1.956 40 HD23 LEU 4 3HD2 LEU 4 28.375 21.822 -3.307 41 H GLU 5 H GLU 5 27.177 16.381 -3.520 42 HA GLU 5 HA GLU 5 26.881 16.118 -6.310 43 HB2 GLU 5 1HB GLU 5 26.282 14.144 -4.095 44 HB3 GLU 5 2HB GLU 5 26.375 13.735 -5.810 45 HG2 GLU 5 1HG GLU 5 28.704 14.608 -5.861 46 HG3 GLU 5 2HG GLU 5 28.606 14.916 -4.132 47 H GLY 6 H GLY 6 24.496 16.098 -3.689 48 HA2 GLY 6 1HA GLY 6 22.223 16.484 -3.747 49 HA3 GLY 6 2HA GLY 6 22.406 16.957 -5.434 50 H GLU 7 H GLU 7 23.282 13.836 -4.007 51 HA GLU 7 HA GLU 7 21.374 12.542 -5.861 52 HB2 GLU 7 1HB GLU 7 23.888 11.458 -4.568 53 HB3 GLU 7 2HB GLU 7 22.828 10.557 -5.653 54 HG2 GLU 7 1HG GLU 7 24.278 13.121 -6.364 55 HG3 GLU 7 2HG GLU 7 24.781 11.507 -6.850 56 H ILE 8 H ILE 8 20.142 10.772 -5.143 57 HA ILE 8 HA ILE 8 19.734 10.659 -2.212 58 HB ILE 8 HB ILE 8 17.777 10.021 -4.432 59 HG12 ILE 8 1HG1 ILE 8 17.829 12.364 -2.505 60 HG13 ILE 8 2HG1 ILE 8 18.364 12.456 -4.183 61 HG21 ILE 8 1HG2 ILE 8 17.414 8.727 -2.353 62 HG22 ILE 8 2HG2 ILE 8 16.137 9.920 -2.595 63 HG23 ILE 8 3HG2 ILE 8 17.420 10.227 -1.425 64 HD11 ILE 8 1HD1 ILE 8 16.041 11.517 -4.789 65 HD12 ILE 8 2HD1 ILE 8 16.112 13.193 -4.243 66 HD13 ILE 8 3HD1 ILE 8 15.582 11.927 -3.136 67 HA PRO 9 HA PRO 9 21.569 6.586 -3.398 68 HB2 PRO 9 1HB PRO 9 21.971 5.719 -0.784 69 HB3 PRO 9 2HB PRO 9 23.143 6.632 -1.750 70 HG2 PRO 9 1HG PRO 9 21.269 7.588 0.342 71 HG3 PRO 9 2HG PRO 9 22.930 8.099 -0.014 72 HD2 PRO 9 1HD PRO 9 20.802 9.590 -0.758 73 HD3 PRO 9 2HD PRO 9 22.280 9.508 -1.744 74 H PHE 10 H PHE 10 19.535 5.878 -4.199 75 HA PHE 10 HA PHE 10 17.331 5.086 -2.727 76 HB2 PHE 10 1HB PHE 10 17.951 5.077 -5.352 77 HB3 PHE 10 2HB PHE 10 18.025 3.358 -5.026 78 HD1 PHE 10 HD1 PHE 10 16.007 2.145 -4.235 79 HD2 PHE 10 HD2 PHE 10 15.877 6.291 -5.350 80 HE1 PHE 10 HE1 PHE 10 13.534 2.027 -4.386 81 HE2 PHE 10 HE2 PHE 10 13.405 6.173 -5.503 82 HZ PHE 10 HZ PHE 10 12.234 4.041 -5.021 83 HA PRO 11 HA PRO 11 19.028 0.815 -1.896 84 HB2 PRO 11 1HB PRO 11 21.415 -0.013 -2.989 85 HB3 PRO 11 2HB PRO 11 19.849 -0.121 -3.807 86 HG2 PRO 11 1HG PRO 11 22.095 1.537 -4.455 87 HG3 PRO 11 2HG PRO 11 20.574 1.331 -5.334 88 HD2 PRO 11 1HD PRO 11 21.375 3.489 -3.488 89 HD3 PRO 11 2HD PRO 11 20.093 3.478 -4.718 90 HA PRO 12 HA PRO 12 21.842 2.759 1.248 91 HB2 PRO 12 1HB PRO 12 20.809 1.338 3.396 92 HB3 PRO 12 2HB PRO 12 20.204 2.909 2.837 93 HG2 PRO 12 1HG PRO 12 19.149 0.183 2.303 94 HG3 PRO 12 2HG PRO 12 18.276 1.694 2.623 95 HD2 PRO 12 1HD PRO 12 18.497 0.712 0.124 96 HD3 PRO 12 2HD PRO 12 18.509 2.462 0.443 97 H THR 13 H THR 13 20.921 -0.693 1.183 98 HA THR 13 HA THR 13 23.203 -1.659 2.525 99 HB THR 13 HB THR 13 22.577 -3.848 1.614 100 HG1 THR 13 HG1 THR 13 21.985 -3.396 -0.439 101 HG21 THR 13 1HG2 THR 13 20.211 -2.130 2.414 102 HG22 THR 13 2HG2 THR 13 21.315 -2.951 3.519 103 HG23 THR 13 3HG2 THR 13 20.257 -3.893 2.469 104 H SER 14 H SER 14 22.879 -0.525 -0.734 105 HA SER 14 HA SER 14 24.931 -2.276 -1.833 106 HB2 SER 14 1HB SER 14 24.515 -1.167 -3.922 107 HB3 SER 14 2HB SER 14 22.948 -1.438 -3.167 108 HG SER 14 HG SER 14 24.068 0.859 -3.907 109 H ILE 15 H ILE 15 24.488 1.171 -1.149 110 HA ILE 15 HA ILE 15 27.213 1.891 -1.560 111 HB ILE 15 HB ILE 15 26.675 3.955 -0.379 112 HG12 ILE 15 1HG1 ILE 15 23.997 2.667 0.246 113 HG13 ILE 15 2HG1 ILE 15 25.286 2.907 1.424 114 HG21 ILE 15 1HG2 ILE 15 24.351 3.074 -2.113 115 HG22 ILE 15 2HG2 ILE 15 25.917 3.593 -2.735 116 HG23 ILE 15 3HG2 ILE 15 24.901 4.728 -1.847 117 HD11 ILE 15 1HD1 ILE 15 23.904 5.102 -0.139 118 HD12 ILE 15 2HD1 ILE 15 25.206 5.339 1.025 119 HD13 ILE 15 3HD1 ILE 15 23.642 4.728 1.564 120 H LEU 16 H LEU 16 25.407 0.609 1.188 121 HA LEU 16 HA LEU 16 27.361 0.965 3.192 122 HB2 LEU 16 1HB LEU 16 25.020 0.203 3.590 123 HB3 LEU 16 2HB LEU 16 25.439 -1.354 2.875 124 HG LEU 16 HG LEU 16 27.307 -1.502 4.606 125 HD11 LEU 16 1HD1 LEU 16 27.496 0.774 5.316 126 HD12 LEU 16 2HD1 LEU 16 26.795 -0.098 6.680 127 HD13 LEU 16 3HD1 LEU 16 25.766 0.888 5.641 128 HD21 LEU 16 1HD2 LEU 16 25.635 -2.045 6.471 129 HD22 LEU 16 2HD2 LEU 16 25.366 -2.860 4.930 130 HD23 LEU 16 3HD2 LEU 16 24.380 -1.468 5.376 131 H LEU 17 H LEU 17 26.983 -1.477 0.668 132 HA LEU 17 HA LEU 17 28.887 -3.317 1.743 133 HB2 LEU 17 1HB LEU 17 27.105 -3.940 0.118 134 HB3 LEU 17 2HB LEU 17 27.966 -3.033 -1.126 135 HG LEU 17 HG LEU 17 29.994 -4.478 -0.622 136 HD11 LEU 17 1HD1 LEU 17 27.892 -5.865 1.047 137 HD12 LEU 17 2HD1 LEU 17 29.515 -5.367 1.524 138 HD13 LEU 17 3HD1 LEU 17 29.299 -6.730 0.427 139 HD21 LEU 17 1HD2 LEU 17 27.492 -5.914 -1.568 140 HD22 LEU 17 2HD2 LEU 17 29.154 -6.366 -1.945 141 HD23 LEU 17 3HD2 LEU 17 28.489 -4.856 -2.568 142 H LEU 18 H LEU 18 29.059 -0.902 -0.863 143 HA LEU 18 HA LEU 18 31.734 -1.381 -1.601 144 HB2 LEU 18 1HB LEU 18 30.112 -0.038 -2.933 145 HB3 LEU 18 2HB LEU 18 30.224 1.242 -1.726 146 HG LEU 18 HG LEU 18 32.734 1.253 -2.134 147 HD11 LEU 18 1HD1 LEU 18 31.811 -0.644 -4.286 148 HD12 LEU 18 2HD1 LEU 18 33.177 -0.808 -3.183 149 HD13 LEU 18 3HD1 LEU 18 33.254 0.344 -4.516 150 HD21 LEU 18 1HD2 LEU 18 30.932 2.800 -3.190 151 HD22 LEU 18 2HD2 LEU 18 31.197 1.859 -4.658 152 HD23 LEU 18 3HD2 LEU 18 32.529 2.763 -3.937 153 H LEU 19 H LEU 19 30.302 0.857 0.754 154 HA LEU 19 HA LEU 19 32.752 2.114 1.455 155 HB2 LEU 19 1HB LEU 19 29.994 2.015 2.564 156 HB3 LEU 19 2HB LEU 19 31.268 2.502 3.673 157 HG LEU 19 HG LEU 19 30.189 4.424 2.520 158 HD11 LEU 19 1HD1 LEU 19 32.648 4.330 3.275 159 HD12 LEU 19 2HD1 LEU 19 32.183 5.619 2.165 160 HD13 LEU 19 3HD1 LEU 19 33.033 4.197 1.559 161 HD21 LEU 19 1HD2 LEU 19 31.455 3.264 0.017 162 HD22 LEU 19 2HD2 LEU 19 30.664 4.834 0.140 163 HD23 LEU 19 3HD2 LEU 19 29.725 3.359 0.343 164 H ALA 20 H ALA 20 31.084 -0.753 2.666 165 HA ALA 20 HA ALA 20 32.548 -1.034 5.065 166 HB1 ALA 20 1HB ALA 20 31.816 -3.480 4.834 167 HB2 ALA 20 2HB ALA 20 30.999 -2.973 3.357 168 HB3 ALA 20 3HB ALA 20 30.540 -2.266 4.906 169 H CYS 21 H CYS 21 33.046 -2.441 1.824 170 HA CYS 21 HA CYS 21 35.192 -4.105 2.617 171 HB2 CYS 21 1HB CYS 21 35.617 -4.463 0.274 172 HB3 CYS 21 2HB CYS 21 33.877 -4.439 0.536 173 HG CYS 21 HG CYS 21 33.695 -2.445 -0.924 174 H ILE 22 H ILE 22 35.139 -0.797 1.302 175 HA ILE 22 HA ILE 22 37.917 -0.546 0.900 176 HB ILE 22 HB ILE 22 35.914 1.603 1.652 177 HG12 ILE 22 1HG1 ILE 22 36.932 0.771 -1.077 178 HG13 ILE 22 2HG1 ILE 22 35.403 0.211 -0.401 179 HG21 ILE 22 1HG2 ILE 22 38.624 1.786 0.292 180 HG22 ILE 22 2HG2 ILE 22 38.269 2.318 1.936 181 HG23 ILE 22 3HG2 ILE 22 37.516 3.132 0.565 182 HD11 ILE 22 1HD1 ILE 22 34.965 2.142 -1.812 183 HD12 ILE 22 2HD1 ILE 22 36.186 3.085 -0.959 184 HD13 ILE 22 3HD1 ILE 22 34.707 2.603 -0.128 185 H PHE 23 H PHE 23 35.896 0.194 3.736 186 HA PHE 23 HA PHE 23 37.969 1.266 5.325 187 HB2 PHE 23 1HB PHE 23 35.340 -0.020 6.007 188 HB3 PHE 23 2HB PHE 23 36.443 0.530 7.253 189 HD1 PHE 23 HD1 PHE 23 37.362 3.044 6.784 190 HD2 PHE 23 HD2 PHE 23 33.641 1.414 5.388 191 HE1 PHE 23 HE1 PHE 23 36.434 5.335 6.583 192 HE2 PHE 23 HE2 PHE 23 32.715 3.705 5.184 193 HZ PHE 23 HZ PHE 23 34.112 5.665 5.782 194 H LEU 24 H LEU 24 36.718 -2.047 5.040 195 HA LEU 24 HA LEU 24 38.095 -3.120 7.243 196 HB2 LEU 24 1HB LEU 24 36.209 -4.233 6.054 197 HB3 LEU 24 2HB LEU 24 37.295 -4.559 4.704 198 HG LEU 24 HG LEU 24 38.821 -5.740 6.355 199 HD11 LEU 24 1HD1 LEU 24 38.182 -4.993 8.477 200 HD12 LEU 24 2HD1 LEU 24 37.392 -6.568 8.398 201 HD13 LEU 24 3HD1 LEU 24 36.462 -5.098 8.104 202 HD21 LEU 24 1HD2 LEU 24 36.006 -6.831 6.029 203 HD22 LEU 24 2HD2 LEU 24 37.445 -7.787 6.383 204 HD23 LEU 24 3HD2 LEU 24 37.295 -6.958 4.832 205 H ILE 25 H ILE 25 38.979 -2.960 3.801 206 HA ILE 25 HA ILE 25 41.375 -4.453 4.141 207 HB ILE 25 HB ILE 25 41.940 -3.751 1.866 208 HG12 ILE 25 1HG1 ILE 25 39.446 -2.029 2.021 209 HG13 ILE 25 2HG1 ILE 25 41.089 -1.394 2.064 210 HG21 ILE 25 1HG2 ILE 25 38.992 -4.390 2.175 211 HG22 ILE 25 2HG2 ILE 25 40.292 -5.574 2.317 212 HG23 ILE 25 3HG2 ILE 25 40.008 -4.757 0.780 213 HD11 ILE 25 1HD1 ILE 25 39.732 -2.856 -0.204 214 HD12 ILE 25 2HD1 ILE 25 41.478 -2.615 -0.142 215 HD13 ILE 25 3HD1 ILE 25 40.397 -1.223 -0.210 216 H LYS 26 H LYS 26 40.706 -0.972 4.220 217 HA LYS 26 HA LYS 26 43.364 -0.071 4.154 218 HB2 LYS 26 1HB LYS 26 41.352 1.384 3.945 219 HB3 LYS 26 2HB LYS 26 41.054 1.165 5.669 220 HG2 LYS 26 1HG LYS 26 43.214 2.165 6.211 221 HG3 LYS 26 2HG LYS 26 43.605 2.308 4.497 222 HD2 LYS 26 1HD LYS 26 42.812 4.464 5.246 223 HD3 LYS 26 2HD LYS 26 41.558 3.754 4.230 224 HE2 LYS 26 1HE LYS 26 40.209 3.184 6.087 225 HE3 LYS 26 2HE LYS 26 41.545 3.379 7.224 226 HZ1 LYS 26 1HZ LYS 26 39.753 5.351 6.145 227 HZ2 LYS 26 2HZ LYS 26 41.386 5.804 6.039 228 HZ3 LYS 26 3HZ LYS 26 40.709 5.406 7.545 229 H ILE 27 H ILE 27 41.330 -1.103 6.861 230 HA ILE 27 HA ILE 27 43.143 -0.398 8.921 231 HB ILE 27 HB ILE 27 40.976 -2.517 8.910 232 HG12 ILE 27 1HG1 ILE 27 40.874 0.345 9.895 233 HG13 ILE 27 2HG1 ILE 27 40.278 -0.159 8.315 234 HG21 ILE 27 1HG2 ILE 27 42.694 -2.606 10.807 235 HG22 ILE 27 2HG2 ILE 27 41.017 -2.389 11.299 236 HG23 ILE 27 3HG2 ILE 27 42.111 -1.008 11.274 237 HD11 ILE 27 1HD1 ILE 27 39.250 -0.944 11.041 238 HD12 ILE 27 2HD1 ILE 27 38.883 -1.906 9.608 239 HD13 ILE 27 3HD1 ILE 27 38.360 -0.224 9.699 240 H LEU 28 H LEU 28 42.509 -3.510 7.305 241 HA LEU 28 HA LEU 28 44.303 -5.018 8.876 242 HB2 LEU 28 1HB LEU 28 43.341 -5.546 6.056 243 HB3 LEU 28 2HB LEU 28 44.084 -6.731 7.129 244 HG LEU 28 HG LEU 28 41.534 -5.220 7.763 245 HD11 LEU 28 1HD1 LEU 28 40.487 -7.498 7.394 246 HD12 LEU 28 2HD1 LEU 28 42.015 -8.006 6.675 247 HD13 LEU 28 3HD1 LEU 28 41.076 -6.714 5.928 248 HD21 LEU 28 1HD2 LEU 28 43.104 -7.414 9.123 249 HD22 LEU 28 2HD2 LEU 28 41.391 -7.165 9.454 250 HD23 LEU 28 3HD2 LEU 28 42.552 -5.884 9.803 251 H ALA 29 H ALA 29 44.787 -3.225 5.866 252 HA ALA 29 HA ALA 29 47.159 -4.418 5.028 253 HB1 ALA 29 1HB ALA 29 46.017 -2.955 3.535 254 HB2 ALA 29 2HB ALA 29 47.575 -2.201 3.873 255 HB3 ALA 29 3HB ALA 29 46.116 -1.609 4.669 256 H ALA 30 H ALA 30 46.829 -1.406 6.948 257 HA ALA 30 HA ALA 30 48.893 -1.890 8.744 258 HB1 ALA 30 1HB ALA 30 50.564 -1.945 7.096 259 HB2 ALA 30 2HB ALA 30 50.646 -0.299 7.720 260 HB3 ALA 30 3HB ALA 30 49.840 -0.620 6.185 261 H SER 31 H SER 31 46.948 0.397 6.975 262 HA SER 31 HA SER 31 47.736 2.824 8.057 263 HB2 SER 31 1HB SER 31 46.033 2.517 6.257 264 HB3 SER 31 2HB SER 31 44.887 1.989 7.484 265 HG SER 31 HG SER 31 44.758 3.991 8.230 266 H ALA 32 H ALA 32 45.683 0.330 9.494 267 HA ALA 32 HA ALA 32 44.657 1.850 11.633 268 HB1 ALA 32 1HB ALA 32 44.112 -0.589 10.776 269 HB2 ALA 32 2HB ALA 32 43.848 -0.147 12.463 270 HB3 ALA 32 3HB ALA 32 45.292 -1.047 12.003 271 H LEU 33 H LEU 33 47.513 -0.297 11.506 272 HA LEU 33 HA LEU 33 48.231 0.020 14.207 273 HB2 LEU 33 1HB LEU 33 49.691 -0.850 11.734 274 HB3 LEU 33 2HB LEU 33 50.597 -0.579 13.214 275 HG LEU 33 HG LEU 33 49.915 -2.950 12.912 276 HD11 LEU 33 1HD1 LEU 33 50.090 -1.648 15.188 277 HD12 LEU 33 2HD1 LEU 33 49.464 -3.297 15.157 278 HD13 LEU 33 3HD1 LEU 33 48.351 -1.933 15.254 279 HD21 LEU 33 1HD2 LEU 33 47.733 -2.466 11.778 280 HD22 LEU 33 2HD2 LEU 33 47.088 -1.943 13.334 281 HD23 LEU 33 3HD2 LEU 33 47.593 -3.617 13.106 282 H TRP 34 H TRP 34 49.115 1.873 11.328 283 HA TRP 34 HA TRP 34 51.162 3.411 12.534 284 HB2 TRP 34 1HB TRP 34 50.759 3.160 10.078 285 HB3 TRP 34 2HB TRP 34 49.368 4.214 10.246 286 HD1 TRP 34 HD1 TRP 34 53.176 4.210 10.311 287 HE1 TRP 34 HE1 TRP 34 54.015 6.635 10.082 288 HE3 TRP 34 HE3 TRP 34 48.742 6.714 10.677 289 HZ2 TRP 34 HZ2 TRP 34 52.946 9.293 10.058 290 HZ3 TRP 34 HZ3 TRP 34 48.680 9.185 10.547 291 HH2 TRP 34 HH2 TRP 34 50.772 10.478 10.240 292 H ALA 35 H ALA 35 47.705 4.084 12.027 293 HA ALA 35 HA ALA 35 47.752 6.710 13.060 294 HB1 ALA 35 1HB ALA 35 45.302 5.018 13.305 295 HB2 ALA 35 2HB ALA 35 45.924 5.385 11.696 296 HB3 ALA 35 3HB ALA 35 45.461 6.695 12.784 297 H ALA 36 H ALA 36 47.138 3.585 14.618 298 HA ALA 36 HA ALA 36 46.242 4.594 17.089 299 HB1 ALA 36 1HB ALA 36 46.694 2.367 17.960 300 HB2 ALA 36 2HB ALA 36 47.704 1.999 16.562 301 HB3 ALA 36 3HB ALA 36 45.968 2.244 16.357 302 H ALA 37 H ALA 37 49.498 4.045 15.846 303 HA ALA 37 HA ALA 37 50.794 4.108 18.387 304 HB1 ALA 37 1HB ALA 37 52.859 4.276 17.107 305 HB2 ALA 37 2HB ALA 37 51.950 4.681 15.650 306 HB3 ALA 37 3HB ALA 37 51.794 3.079 16.370 307 H TRP 38 H TRP 38 50.737 6.536 15.754 308 HA TRP 38 HA TRP 38 52.019 8.543 17.292 309 HB2 TRP 38 1HB TRP 38 51.868 8.438 14.783 310 HB3 TRP 38 2HB TRP 38 50.196 8.948 14.924 311 HD1 TRP 38 HD1 TRP 38 53.755 10.188 15.702 312 HE1 TRP 38 HE1 TRP 38 53.747 12.764 15.635 313 HE3 TRP 38 HE3 TRP 38 48.768 11.034 15.012 314 HZ2 TRP 38 HZ2 TRP 38 51.869 14.905 15.327 315 HZ3 TRP 38 HZ3 TRP 38 47.897 13.345 14.835 316 HH2 TRP 38 HH2 TRP 38 49.438 15.280 14.992 317 H HIS 39 H HIS 39 48.613 7.977 16.487 318 HA HIS 39 HA HIS 39 47.839 9.770 18.711 319 HB2 HIS 39 1HB HIS 39 47.459 10.755 16.433 320 HB3 HIS 39 2HB HIS 39 46.361 9.430 16.102 321 HD1 HIS 39 HD1 HIS 39 44.023 9.534 17.159 322 HD2 HIS 39 HD2 HIS 39 46.490 12.686 18.320 323 HE1 HIS 39 HE1 HIS 39 42.535 11.209 18.336 324 H GLY 40 H GLY 40 45.558 9.318 19.459 325 HA2 GLY 40 1HA GLY 40 43.727 7.830 19.742 326 HA3 GLY 40 2HA GLY 40 44.680 6.554 18.991 327 H GLN 41 H GLN 41 44.405 5.061 20.624 328 HA GLN 41 HA GLN 41 44.844 3.968 22.590 329 HB2 GLN 41 1HB GLN 41 47.189 4.679 22.042 330 HB3 GLN 41 2HB GLN 41 46.936 6.105 23.047 331 HG2 GLN 41 1HG GLN 41 46.451 4.684 24.985 332 HG3 GLN 41 2HG GLN 41 46.643 3.243 23.993 333 HE21 GLN 41 1HE2 GLN 41 48.284 3.369 26.183 334 HE22 GLN 41 2HE2 GLN 41 49.875 3.748 25.733 335 H LYS 42 H LYS 42 43.095 4.186 23.856 336 HA LYS 42 HA LYS 42 41.708 4.964 25.503 337 HB2 LYS 42 1HB LYS 42 44.069 5.128 26.617 338 HB3 LYS 42 2HB LYS 42 43.847 6.866 26.414 339 HG2 LYS 42 1HG LYS 42 41.492 6.414 27.480 340 HG3 LYS 42 2HG LYS 42 42.253 4.941 28.082 341 HD2 LYS 42 1HD LYS 42 44.054 6.291 29.103 342 HD3 LYS 42 2HD LYS 42 43.273 7.763 28.522 343 HE2 LYS 42 1HE LYS 42 41.312 7.334 29.878 344 HE3 LYS 42 2HE LYS 42 41.933 5.752 30.349 345 HZ1 LYS 42 1HZ LYS 42 43.959 7.301 31.077 346 HZ2 LYS 42 2HZ LYS 42 42.670 6.909 32.115 347 HZ3 LYS 42 3HZ LYS 42 42.681 8.396 31.293 348 HA PRO 43 HA PRO 43 40.961 8.773 22.896 349 HB2 PRO 43 1HB PRO 43 38.364 8.170 22.228 350 HB3 PRO 43 2HB PRO 43 39.770 7.670 21.269 351 HG2 PRO 43 1HG PRO 43 38.164 6.106 23.221 352 HG3 PRO 43 2HG PRO 43 38.867 5.604 21.671 353 HD2 PRO 43 1HD PRO 43 40.009 4.965 24.054 354 HD3 PRO 43 2HD PRO 43 40.962 5.227 22.577 355 H GLY 44 H GLY 44 40.366 10.576 23.940 356 HA2 GLY 44 1HA GLY 44 39.311 10.633 26.519 357 HA3 GLY 44 2HA GLY 44 39.344 12.008 25.421 358 H THR 45 H THR 45 37.661 10.815 23.398 359 HA THR 45 HA THR 45 35.060 10.790 24.825 360 HB THR 45 HB THR 45 35.625 11.928 22.079 361 HG1 THR 45 HG1 THR 45 34.947 13.410 24.365 362 HG21 THR 45 1HG2 THR 45 33.199 11.729 23.856 363 HG22 THR 45 2HG2 THR 45 33.354 11.304 22.151 364 HG23 THR 45 3HG2 THR 45 33.328 12.998 22.638 365 H HIS 46 H HIS 46 33.590 9.273 24.244 366 HA HIS 46 HA HIS 46 34.455 7.267 22.249 367 HB2 HIS 46 1HB HIS 46 34.185 6.430 24.541 368 HB3 HIS 46 2HB HIS 46 32.534 7.017 24.567 369 HD1 HIS 46 HD1 HIS 46 30.751 5.581 23.431 370 HD2 HIS 46 HD2 HIS 46 34.614 4.115 22.875 371 HE1 HIS 46 HE1 HIS 46 30.502 3.273 22.421 Start of MODEL 12 1 H ARG 1 3H ARG 1 18.258 11.123 -16.933 2 HA ARG 1 HA ARG 1 20.250 12.411 -17.684 3 HB2 ARG 1 1HB ARG 1 20.300 13.055 -14.719 4 HB3 ARG 1 2HB ARG 1 21.617 13.378 -15.848 5 HG2 ARG 1 1HG ARG 1 20.072 14.796 -17.194 6 HG3 ARG 1 2HG ARG 1 18.819 14.540 -15.978 7 HD2 ARG 1 1HD ARG 1 20.408 15.479 -14.262 8 HD3 ARG 1 2HD ARG 1 21.494 15.902 -15.582 9 HE ARG 1 HE ARG 1 18.953 17.176 -14.930 10 HH11 ARG 1 1HH1 ARG 1 21.527 16.840 -17.292 11 HH12 ARG 1 2HH1 ARG 1 21.126 18.323 -18.090 12 HH21 ARG 1 1HH2 ARG 1 18.483 19.077 -15.997 13 HH22 ARG 1 2HH2 ARG 1 19.423 19.574 -17.364 14 H SER 2 H SER 2 19.913 10.865 -14.478 15 HA SER 2 HA SER 2 22.203 9.273 -14.602 16 HB2 SER 2 1HB SER 2 19.595 8.621 -13.215 17 HB3 SER 2 2HB SER 2 21.173 7.930 -12.851 18 HG SER 2 HG SER 2 21.007 9.591 -11.460 19 H LEU 3 H LEU 3 19.020 8.744 -16.017 20 HA LEU 3 HA LEU 3 19.154 5.993 -16.499 21 HB2 LEU 3 1HB LEU 3 17.147 7.423 -16.867 22 HB3 LEU 3 2HB LEU 3 17.924 8.088 -18.304 23 HG LEU 3 HG LEU 3 18.142 5.706 -19.157 24 HD11 LEU 3 1HD1 LEU 3 16.392 5.255 -16.730 25 HD12 LEU 3 2HD1 LEU 3 17.895 4.433 -17.149 26 HD13 LEU 3 3HD1 LEU 3 16.433 4.132 -18.089 27 HD21 LEU 3 1HD2 LEU 3 15.578 5.553 -19.584 28 HD22 LEU 3 2HD2 LEU 3 16.436 6.976 -20.174 29 HD23 LEU 3 3HD2 LEU 3 15.493 7.068 -18.686 30 H LEU 4 H LEU 4 20.470 8.710 -18.358 31 HA LEU 4 HA LEU 4 21.322 7.272 -20.619 32 HB2 LEU 4 1HB LEU 4 21.250 9.758 -20.443 33 HB3 LEU 4 2HB LEU 4 22.656 9.690 -19.381 34 HG LEU 4 HG LEU 4 23.859 8.433 -21.228 35 HD11 LEU 4 1HD1 LEU 4 21.282 9.145 -22.610 36 HD12 LEU 4 2HD1 LEU 4 22.163 7.617 -22.631 37 HD13 LEU 4 3HD1 LEU 4 22.776 9.002 -23.536 38 HD21 LEU 4 1HD2 LEU 4 22.857 11.235 -21.824 39 HD22 LEU 4 2HD2 LEU 4 24.280 10.490 -22.552 40 HD23 LEU 4 3HD2 LEU 4 24.250 10.828 -20.821 41 H GLU 5 H GLU 5 22.884 7.851 -17.496 42 HA GLU 5 HA GLU 5 25.421 6.801 -18.123 43 HB2 GLU 5 1HB GLU 5 23.941 6.873 -15.485 44 HB3 GLU 5 2HB GLU 5 25.655 6.498 -15.668 45 HG2 GLU 5 1HG GLU 5 25.991 8.706 -16.764 46 HG3 GLU 5 2HG GLU 5 24.297 9.081 -16.482 47 H GLY 6 H GLY 6 22.424 5.224 -17.115 48 HA2 GLY 6 1HA GLY 6 21.902 2.978 -17.685 49 HA3 GLY 6 2HA GLY 6 23.618 2.635 -17.810 50 H GLU 7 H GLU 7 23.232 4.351 -14.970 51 HA GLU 7 HA GLU 7 23.017 1.852 -13.396 52 HB2 GLU 7 1HB GLU 7 24.357 4.482 -12.714 53 HB3 GLU 7 2HB GLU 7 24.269 3.077 -11.650 54 HG2 GLU 7 1HG GLU 7 25.444 1.729 -13.380 55 HG3 GLU 7 2HG GLU 7 25.597 3.174 -14.372 56 H ILE 8 H ILE 8 21.701 1.799 -11.579 57 HA ILE 8 HA ILE 8 19.713 3.989 -11.389 58 HB ILE 8 HB ILE 8 18.102 2.327 -10.631 59 HG12 ILE 8 1HG1 ILE 8 18.976 -0.167 -11.114 60 HG13 ILE 8 2HG1 ILE 8 20.522 0.556 -10.679 61 HG21 ILE 8 1HG2 ILE 8 18.208 2.745 -13.010 62 HG22 ILE 8 2HG2 ILE 8 17.955 1.016 -12.767 63 HG23 ILE 8 3HG2 ILE 8 19.556 1.622 -13.193 64 HD11 ILE 8 1HD1 ILE 8 18.146 1.068 -8.926 65 HD12 ILE 8 2HD1 ILE 8 19.856 1.001 -8.500 66 HD13 ILE 8 3HD1 ILE 8 18.969 -0.488 -8.818 67 HA PRO 9 HA PRO 9 20.757 4.761 -7.167 68 HB2 PRO 9 1HB PRO 9 17.947 4.187 -6.356 69 HB3 PRO 9 2HB PRO 9 18.935 5.630 -6.061 70 HG2 PRO 9 1HG PRO 9 16.978 5.631 -7.861 71 HG3 PRO 9 2HG PRO 9 18.483 6.530 -8.119 72 HD2 PRO 9 1HD PRO 9 17.589 3.971 -9.371 73 HD3 PRO 9 2HD PRO 9 18.587 5.274 -10.052 74 H PHE 10 H PHE 10 22.050 2.963 -6.717 75 HA PHE 10 HA PHE 10 21.197 0.335 -6.366 76 HB2 PHE 10 1HB PHE 10 23.541 1.865 -5.277 77 HB3 PHE 10 2HB PHE 10 23.293 0.175 -4.881 78 HD1 PHE 10 HD1 PHE 10 22.956 -1.443 -6.927 79 HD2 PHE 10 HD2 PHE 10 24.745 2.455 -7.178 80 HE1 PHE 10 HE1 PHE 10 24.060 -2.086 -9.052 81 HE2 PHE 10 HE2 PHE 10 25.848 1.811 -9.303 82 HZ PHE 10 HZ PHE 10 25.507 -0.459 -10.240 83 HA PRO 11 HA PRO 11 18.985 0.279 -2.545 84 HB2 PRO 11 1HB PRO 11 20.528 -2.096 -1.655 85 HB3 PRO 11 2HB PRO 11 18.781 -1.900 -1.879 86 HG2 PRO 11 1HG PRO 11 20.270 -3.324 -3.571 87 HG3 PRO 11 2HG PRO 11 18.869 -2.379 -4.109 88 HD2 PRO 11 1HD PRO 11 21.780 -1.767 -4.419 89 HD3 PRO 11 2HD PRO 11 20.421 -1.407 -5.509 90 HA PRO 12 HA PRO 12 21.376 2.316 0.564 91 HB2 PRO 12 1HB PRO 12 20.422 1.142 2.923 92 HB3 PRO 12 2HB PRO 12 19.696 2.525 2.087 93 HG2 PRO 12 1HG PRO 12 18.930 -0.338 2.015 94 HG3 PRO 12 2HG PRO 12 17.911 1.114 1.970 95 HD2 PRO 12 1HD PRO 12 18.398 -0.320 -0.261 96 HD3 PRO 12 2HD PRO 12 18.244 1.452 -0.311 97 H THR 13 H THR 13 20.944 -1.096 1.575 98 HA THR 13 HA THR 13 23.390 -1.330 2.924 99 HB THR 13 HB THR 13 23.054 -3.751 2.753 100 HG1 THR 13 HG1 THR 13 22.230 -4.332 0.917 101 HG21 THR 13 1HG2 THR 13 21.634 -2.203 4.251 102 HG22 THR 13 2HG2 THR 13 21.024 -3.833 3.965 103 HG23 THR 13 3HG2 THR 13 20.343 -2.469 3.080 104 H SER 14 H SER 14 22.937 -1.035 -0.448 105 HA SER 14 HA SER 14 25.099 -2.843 -1.212 106 HB2 SER 14 1HB SER 14 23.369 -0.955 -2.833 107 HB3 SER 14 2HB SER 14 24.626 -1.982 -3.514 108 HG SER 14 HG SER 14 22.102 -2.596 -2.686 109 H ILE 15 H ILE 15 24.346 0.615 -1.370 110 HA ILE 15 HA ILE 15 26.921 1.566 -1.997 111 HB ILE 15 HB ILE 15 24.818 2.882 -0.251 112 HG12 ILE 15 1HG1 ILE 15 25.309 3.163 -3.232 113 HG13 ILE 15 2HG1 ILE 15 24.033 2.164 -2.534 114 HG21 ILE 15 1HG2 ILE 15 25.913 4.972 -0.923 115 HG22 ILE 15 2HG2 ILE 15 27.082 4.071 -1.887 116 HG23 ILE 15 3HG2 ILE 15 27.080 3.914 -0.130 117 HD11 ILE 15 1HD1 ILE 15 23.183 4.214 -1.342 118 HD12 ILE 15 2HD1 ILE 15 23.065 4.307 -3.098 119 HD13 ILE 15 3HD1 ILE 15 24.355 5.164 -2.255 120 H LEU 16 H LEU 16 25.398 0.699 1.085 121 HA LEU 16 HA LEU 16 27.527 1.526 2.773 122 HB2 LEU 16 1HB LEU 16 25.446 -0.639 3.148 123 HB3 LEU 16 2HB LEU 16 26.532 -0.068 4.416 124 HG LEU 16 HG LEU 16 24.667 1.754 2.872 125 HD11 LEU 16 1HD1 LEU 16 24.298 0.178 5.409 126 HD12 LEU 16 2HD1 LEU 16 23.167 0.412 4.077 127 HD13 LEU 16 3HD1 LEU 16 23.484 1.729 5.206 128 HD21 LEU 16 1HD2 LEU 16 26.370 3.077 3.803 129 HD22 LEU 16 2HD2 LEU 16 26.527 2.043 5.223 130 HD23 LEU 16 3HD2 LEU 16 25.131 3.110 5.058 131 H LEU 17 H LEU 17 26.950 -1.435 0.940 132 HA LEU 17 HA LEU 17 28.881 -3.065 2.198 133 HB2 LEU 17 1HB LEU 17 27.105 -3.895 0.659 134 HB3 LEU 17 2HB LEU 17 27.972 -3.162 -0.689 135 HG LEU 17 HG LEU 17 29.994 -4.539 0.012 136 HD11 LEU 17 1HD1 LEU 17 27.866 -5.718 1.806 137 HD12 LEU 17 2HD1 LEU 17 29.466 -5.129 2.258 138 HD13 LEU 17 3HD1 LEU 17 29.304 -6.625 1.338 139 HD21 LEU 17 1HD2 LEU 17 27.419 -5.830 -0.917 140 HD22 LEU 17 2HD2 LEU 17 28.956 -6.695 -0.898 141 HD23 LEU 17 3HD2 LEU 17 28.764 -5.261 -1.907 142 H LEU 18 H LEU 18 29.074 -0.982 -0.670 143 HA LEU 18 HA LEU 18 31.777 -1.473 -1.295 144 HB2 LEU 18 1HB LEU 18 29.932 0.846 -1.818 145 HB3 LEU 18 2HB LEU 18 31.630 0.917 -2.288 146 HG LEU 18 HG LEU 18 31.189 -1.395 -3.394 147 HD11 LEU 18 1HD1 LEU 18 29.015 -1.882 -2.492 148 HD12 LEU 18 2HD1 LEU 18 28.787 -1.534 -4.206 149 HD13 LEU 18 3HD1 LEU 18 28.390 -0.312 -2.998 150 HD21 LEU 18 1HD2 LEU 18 30.326 -0.248 -5.447 151 HD22 LEU 18 2HD2 LEU 18 31.661 0.617 -4.685 152 HD23 LEU 18 3HD2 LEU 18 30.004 1.183 -4.468 153 H LEU 19 H LEU 19 30.245 0.922 0.833 154 HA LEU 19 HA LEU 19 32.561 2.324 1.595 155 HB2 LEU 19 1HB LEU 19 30.220 3.000 2.143 156 HB3 LEU 19 2HB LEU 19 30.159 1.699 3.331 157 HG LEU 19 HG LEU 19 32.249 2.736 4.374 158 HD11 LEU 19 1HD1 LEU 19 33.099 4.194 2.747 159 HD12 LEU 19 2HD1 LEU 19 32.263 5.300 3.836 160 HD13 LEU 19 3HD1 LEU 19 31.502 4.807 2.323 161 HD21 LEU 19 1HD2 LEU 19 30.943 4.353 5.637 162 HD22 LEU 19 2HD2 LEU 19 29.913 2.970 5.269 163 HD23 LEU 19 3HD2 LEU 19 29.753 4.460 4.339 164 H ALA 20 H ALA 20 31.120 -0.652 2.855 165 HA ALA 20 HA ALA 20 32.775 -0.939 5.122 166 HB1 ALA 20 1HB ALA 20 32.148 -3.395 4.905 167 HB2 ALA 20 2HB ALA 20 31.258 -2.945 3.451 168 HB3 ALA 20 3HB ALA 20 30.798 -2.263 5.011 169 H CYS 21 H CYS 21 33.136 -2.096 1.786 170 HA CYS 21 HA CYS 21 35.373 -3.740 2.198 171 HB2 CYS 21 1HB CYS 21 34.531 -2.177 -0.254 172 HB3 CYS 21 2HB CYS 21 35.774 -3.429 -0.242 173 HG CYS 21 HG CYS 21 33.897 -5.147 0.517 174 H ILE 22 H ILE 22 35.142 -0.286 1.404 175 HA ILE 22 HA ILE 22 37.882 0.127 0.869 176 HB ILE 22 HB ILE 22 35.845 2.094 1.951 177 HG12 ILE 22 1HG1 ILE 22 36.695 1.568 -0.912 178 HG13 ILE 22 2HG1 ILE 22 35.232 0.899 -0.189 179 HG21 ILE 22 1HG2 ILE 22 38.470 2.509 0.483 180 HG22 ILE 22 2HG2 ILE 22 38.148 2.918 2.168 181 HG23 ILE 22 3HG2 ILE 22 37.317 3.785 0.876 182 HD11 ILE 22 1HD1 ILE 22 35.902 3.801 -0.695 183 HD12 ILE 22 2HD1 ILE 22 34.624 3.321 0.422 184 HD13 ILE 22 3HD1 ILE 22 34.515 2.883 -1.283 185 H PHE 23 H PHE 23 35.993 0.686 3.829 186 HA PHE 23 HA PHE 23 38.180 1.551 5.402 187 HB2 PHE 23 1HB PHE 23 35.468 0.459 6.049 188 HB3 PHE 23 2HB PHE 23 36.638 0.719 7.329 189 HD1 PHE 23 HD1 PHE 23 34.470 2.324 4.828 190 HD2 PHE 23 HD2 PHE 23 37.341 2.974 7.954 191 HE1 PHE 23 HE1 PHE 23 33.841 4.720 4.906 192 HE2 PHE 23 HE2 PHE 23 36.711 5.372 8.034 193 HZ PHE 23 HZ PHE 23 34.961 6.245 6.509 194 H LEU 24 H LEU 24 36.832 -1.671 4.830 195 HA LEU 24 HA LEU 24 38.139 -2.993 6.940 196 HB2 LEU 24 1HB LEU 24 36.222 -3.910 5.640 197 HB3 LEU 24 2HB LEU 24 37.309 -4.152 4.272 198 HG LEU 24 HG LEU 24 38.771 -5.540 5.815 199 HD11 LEU 24 1HD1 LEU 24 37.454 -6.484 7.801 200 HD12 LEU 24 2HD1 LEU 24 36.352 -5.125 7.583 201 HD13 LEU 24 3HD1 LEU 24 38.046 -4.832 7.975 202 HD21 LEU 24 1HD2 LEU 24 37.125 -7.497 5.788 203 HD22 LEU 24 2HD2 LEU 24 37.391 -6.700 4.237 204 HD23 LEU 24 3HD2 LEU 24 35.930 -6.360 5.164 205 H ILE 25 H ILE 25 39.101 -2.483 3.544 206 HA ILE 25 HA ILE 25 41.401 -4.136 3.756 207 HB ILE 25 HB ILE 25 42.106 -3.130 1.606 208 HG12 ILE 25 1HG1 ILE 25 39.551 -1.514 1.839 209 HG13 ILE 25 2HG1 ILE 25 41.164 -0.835 2.041 210 HG21 ILE 25 1HG2 ILE 25 40.319 -4.118 0.343 211 HG22 ILE 25 2HG2 ILE 25 39.162 -3.830 1.643 212 HG23 ILE 25 3HG2 ILE 25 40.443 -5.024 1.851 213 HD11 ILE 25 1HD1 ILE 25 41.752 -1.618 -0.244 214 HD12 ILE 25 2HD1 ILE 25 40.415 -0.468 -0.250 215 HD13 ILE 25 3HD1 ILE 25 40.096 -2.191 -0.447 216 H LYS 26 H LYS 26 40.969 -0.619 4.134 217 HA LYS 26 HA LYS 26 43.701 0.037 4.280 218 HB2 LYS 26 1HB LYS 26 41.316 1.337 5.612 219 HB3 LYS 26 2HB LYS 26 42.935 2.037 5.566 220 HG2 LYS 26 1HG LYS 26 42.871 1.922 3.072 221 HG3 LYS 26 2HG LYS 26 41.204 1.353 3.174 222 HD2 LYS 26 1HD LYS 26 40.608 3.430 4.421 223 HD3 LYS 26 2HD LYS 26 42.257 4.009 4.187 224 HE2 LYS 26 1HE LYS 26 41.879 3.672 1.684 225 HE3 LYS 26 2HE LYS 26 40.170 3.469 2.069 226 HZ1 LYS 26 1HZ LYS 26 39.923 5.639 2.447 227 HZ2 LYS 26 2HZ LYS 26 41.393 5.832 1.618 228 HZ3 LYS 26 3HZ LYS 26 41.374 5.764 3.316 229 H ILE 27 H ILE 27 41.425 -0.997 6.790 230 HA ILE 27 HA ILE 27 43.293 -0.761 8.939 231 HB ILE 27 HB ILE 27 40.778 -2.445 8.775 232 HG12 ILE 27 1HG1 ILE 27 41.168 0.350 9.890 233 HG13 ILE 27 2HG1 ILE 27 40.465 0.010 8.309 234 HG21 ILE 27 1HG2 ILE 27 40.818 -2.335 11.215 235 HG22 ILE 27 2HG2 ILE 27 42.271 -1.336 11.175 236 HG23 ILE 27 3HG2 ILE 27 42.341 -3.017 10.642 237 HD11 ILE 27 1HD1 ILE 27 39.364 -0.648 11.035 238 HD12 ILE 27 2HD1 ILE 27 38.835 -1.540 9.609 239 HD13 ILE 27 3HD1 ILE 27 38.578 0.203 9.704 240 H LEU 28 H LEU 28 42.321 -3.416 6.819 241 HA LEU 28 HA LEU 28 43.451 -5.545 8.233 242 HB2 LEU 28 1HB LEU 28 41.874 -5.707 6.286 243 HB3 LEU 28 2HB LEU 28 43.226 -5.308 5.228 244 HG LEU 28 HG LEU 28 44.419 -7.291 6.484 245 HD11 LEU 28 1HD1 LEU 28 43.062 -8.883 7.504 246 HD12 LEU 28 2HD1 LEU 28 41.613 -8.342 6.658 247 HD13 LEU 28 3HD1 LEU 28 42.257 -7.395 7.996 248 HD21 LEU 28 1HD2 LEU 28 42.277 -7.532 4.362 249 HD22 LEU 28 2HD2 LEU 28 43.306 -8.891 4.818 250 HD23 LEU 28 3HD2 LEU 28 44.024 -7.432 4.134 251 H ALA 29 H ALA 29 44.864 -3.355 5.853 252 HA ALA 29 HA ALA 29 47.207 -4.691 5.255 253 HB1 ALA 29 1HB ALA 29 46.632 -2.700 4.058 254 HB2 ALA 29 2HB ALA 29 48.175 -2.400 4.857 255 HB3 ALA 29 3HB ALA 29 46.690 -1.729 5.528 256 H ALA 30 H ALA 30 46.443 -2.869 8.175 257 HA ALA 30 HA ALA 30 49.208 -3.331 9.148 258 HB1 ALA 30 1HB ALA 30 48.545 -1.442 10.781 259 HB2 ALA 30 2HB ALA 30 47.240 -1.114 9.639 260 HB3 ALA 30 3HB ALA 30 48.921 -1.010 9.113 261 H SER 31 H SER 31 45.963 -2.791 10.559 262 HA SER 31 HA SER 31 46.559 -3.819 13.067 263 HB2 SER 31 1HB SER 31 44.506 -2.516 12.432 264 HB3 SER 31 2HB SER 31 43.862 -3.988 11.716 265 HG SER 31 HG SER 31 43.290 -4.524 13.661 266 H ALA 32 H ALA 32 45.251 -5.542 10.235 267 HA ALA 32 HA ALA 32 44.789 -7.991 11.575 268 HB1 ALA 32 1HB ALA 32 45.477 -7.727 8.651 269 HB2 ALA 32 2HB ALA 32 43.896 -7.293 9.301 270 HB3 ALA 32 3HB ALA 32 44.476 -8.952 9.427 271 H LEU 33 H LEU 33 47.617 -6.730 9.840 272 HA LEU 33 HA LEU 33 49.079 -9.124 9.690 273 HB2 LEU 33 1HB LEU 33 49.649 -7.017 8.485 274 HB3 LEU 33 2HB LEU 33 50.185 -6.325 10.016 275 HG LEU 33 HG LEU 33 51.764 -8.302 10.235 276 HD11 LEU 33 1HD1 LEU 33 50.813 -9.891 8.736 277 HD12 LEU 33 2HD1 LEU 33 52.303 -9.356 7.959 278 HD13 LEU 33 3HD1 LEU 33 50.749 -8.721 7.417 279 HD21 LEU 33 1HD2 LEU 33 52.523 -6.072 9.485 280 HD22 LEU 33 2HD2 LEU 33 52.105 -6.490 7.823 281 HD23 LEU 33 3HD2 LEU 33 53.403 -7.351 8.650 282 H TRP 34 H TRP 34 48.912 -6.658 12.225 283 HA TRP 34 HA TRP 34 50.911 -7.817 13.886 284 HB2 TRP 34 1HB TRP 34 48.647 -5.926 14.509 285 HB3 TRP 34 2HB TRP 34 49.888 -6.377 15.660 286 HD1 TRP 34 HD1 TRP 34 49.110 -3.941 13.001 287 HE1 TRP 34 HE1 TRP 34 51.175 -2.494 12.468 288 HE3 TRP 34 HE3 TRP 34 52.709 -6.605 15.454 289 HZ2 TRP 34 HZ2 TRP 34 53.988 -2.470 13.011 290 HZ3 TRP 34 HZ3 TRP 34 55.066 -5.851 15.431 291 HH2 TRP 34 HH2 TRP 34 55.712 -3.791 14.215 292 H ALA 35 H ALA 35 47.352 -8.000 13.971 293 HA ALA 35 HA ALA 35 47.171 -9.478 16.359 294 HB1 ALA 35 1HB ALA 35 45.347 -8.206 15.011 295 HB2 ALA 35 2HB ALA 35 44.895 -9.657 15.905 296 HB3 ALA 35 3HB ALA 35 45.145 -9.738 14.162 297 H ALA 36 H ALA 36 47.632 -10.520 13.028 298 HA ALA 36 HA ALA 36 46.835 -13.191 13.261 299 HB1 ALA 36 1HB ALA 36 48.830 -11.795 11.491 300 HB2 ALA 36 2HB ALA 36 47.230 -12.411 11.078 301 HB3 ALA 36 3HB ALA 36 48.557 -13.534 11.375 302 H ALA 37 H ALA 37 49.878 -11.624 14.114 303 HA ALA 37 HA ALA 37 51.444 -13.940 14.487 304 HB1 ALA 37 1HB ALA 37 52.844 -12.509 15.941 305 HB2 ALA 37 2HB ALA 37 51.584 -11.274 15.918 306 HB3 ALA 37 3HB ALA 37 52.428 -11.702 14.429 307 H TRP 38 H TRP 38 49.268 -12.199 16.678 308 HA TRP 38 HA TRP 38 49.826 -13.643 19.024 309 HB2 TRP 38 1HB TRP 38 48.514 -11.537 18.907 310 HB3 TRP 38 2HB TRP 38 47.191 -12.434 18.186 311 HD1 TRP 38 HD1 TRP 38 45.460 -13.329 19.809 312 HE1 TRP 38 HE1 TRP 38 45.355 -13.739 22.350 313 HE3 TRP 38 HE3 TRP 38 50.281 -12.228 21.079 314 HZ2 TRP 38 HZ2 TRP 38 47.089 -13.616 24.627 315 HZ3 TRP 38 HZ3 TRP 38 51.027 -12.382 23.434 316 HH2 TRP 38 HH2 TRP 38 49.442 -13.074 25.208 317 H HIS 39 H HIS 39 47.656 -14.340 16.327 318 HA HIS 39 HA HIS 39 46.736 -16.790 17.691 319 HB2 HIS 39 1HB HIS 39 45.659 -15.364 15.258 320 HB3 HIS 39 2HB HIS 39 44.994 -16.836 15.939 321 HD1 HIS 39 HD1 HIS 39 45.160 -13.143 16.436 322 HD2 HIS 39 HD2 HIS 39 43.564 -16.454 18.403 323 HE1 HIS 39 HE1 HIS 39 43.570 -12.239 18.185 324 H GLY 40 H GLY 40 46.123 -18.499 15.831 325 HA2 GLY 40 1HA GLY 40 48.658 -19.438 14.871 326 HA3 GLY 40 2HA GLY 40 47.096 -20.213 14.622 327 H GLN 41 H GLN 41 48.387 -20.506 12.475 328 HA GLN 41 HA GLN 41 48.819 -18.362 10.719 329 HB2 GLN 41 1HB GLN 41 48.104 -21.229 10.054 330 HB3 GLN 41 2HB GLN 41 48.815 -20.062 8.940 331 HG2 GLN 41 1HG GLN 41 50.084 -21.071 11.504 332 HG3 GLN 41 2HG GLN 41 50.548 -21.535 9.870 333 HE21 GLN 41 1HE2 GLN 41 51.744 -19.746 12.269 334 HE22 GLN 41 2HE2 GLN 41 52.415 -18.446 11.409 335 H LYS 42 H LYS 42 45.949 -20.396 11.213 336 HA LYS 42 HA LYS 42 43.790 -20.213 10.456 337 HB2 LYS 42 1HB LYS 42 44.698 -17.458 11.116 338 HB3 LYS 42 2HB LYS 42 43.218 -17.572 10.170 339 HG2 LYS 42 1HG LYS 42 42.618 -17.555 12.515 340 HG3 LYS 42 2HG LYS 42 42.323 -19.177 11.888 341 HD2 LYS 42 1HD LYS 42 44.585 -19.850 12.748 342 HD3 LYS 42 2HD LYS 42 44.715 -18.264 13.508 343 HE2 LYS 42 1HE LYS 42 42.506 -18.775 14.667 344 HE3 LYS 42 2HE LYS 42 42.690 -20.432 14.094 345 HZ1 LYS 42 1HZ LYS 42 43.657 -20.454 16.185 346 HZ2 LYS 42 2HZ LYS 42 44.388 -18.934 15.985 347 HZ3 LYS 42 3HZ LYS 42 44.993 -20.287 15.153 348 HA PRO 43 HA PRO 43 45.407 -19.900 6.053 349 HB2 PRO 43 1HB PRO 43 43.194 -21.899 5.821 350 HB3 PRO 43 2HB PRO 43 44.799 -21.898 5.063 351 HG2 PRO 43 1HG PRO 43 44.247 -23.464 7.139 352 HG3 PRO 43 2HG PRO 43 45.839 -22.709 6.937 353 HD2 PRO 43 1HD PRO 43 43.682 -22.037 8.870 354 HD3 PRO 43 2HD PRO 43 45.439 -21.815 9.014 355 H GLY 44 H GLY 44 44.610 -17.828 5.672 356 HA2 GLY 44 1HA GLY 44 41.730 -17.409 5.410 357 HA3 GLY 44 2HA GLY 44 42.979 -16.171 5.313 358 H THR 45 H THR 45 41.376 -15.704 3.431 359 HA THR 45 HA THR 45 41.716 -17.306 1.055 360 HB THR 45 HB THR 45 40.589 -14.508 1.325 361 HG1 THR 45 HG1 THR 45 39.120 -15.549 2.398 362 HG21 THR 45 1HG2 THR 45 41.205 -15.260 -0.976 363 HG22 THR 45 2HG2 THR 45 39.470 -15.021 -0.775 364 HG23 THR 45 3HG2 THR 45 40.143 -16.652 -0.770 365 H HIS 46 H HIS 46 43.091 -16.979 -0.623 366 HA HIS 46 HA HIS 46 44.825 -14.592 -0.582 367 HB2 HIS 46 1HB HIS 46 45.807 -17.418 -0.995 368 HB3 HIS 46 2HB HIS 46 46.780 -15.960 -1.031 369 HD1 HIS 46 HD1 HIS 46 46.770 -14.590 1.369 370 HD2 HIS 46 HD2 HIS 46 45.708 -18.620 1.477 371 HE1 HIS 46 HE1 HIS 46 47.013 -15.330 3.777 Start of MODEL 13 1 H ARG 1 3H ARG 1 34.993 11.941 -8.329 2 HA ARG 1 HA ARG 1 36.142 10.251 -9.896 3 HB2 ARG 1 1HB ARG 1 35.740 8.683 -7.330 4 HB3 ARG 1 2HB ARG 1 36.123 7.975 -8.900 5 HG2 ARG 1 1HG ARG 1 38.208 9.337 -8.970 6 HG3 ARG 1 2HG ARG 1 37.842 9.935 -7.352 7 HD2 ARG 1 1HD ARG 1 37.790 7.539 -6.568 8 HD3 ARG 1 2HD ARG 1 38.381 7.067 -8.158 9 HE ARG 1 HE ARG 1 40.122 9.022 -7.230 10 HH11 ARG 1 1HH1 ARG 1 39.140 5.816 -6.190 11 HH12 ARG 1 2HH1 ARG 1 40.657 5.492 -5.420 12 HH21 ARG 1 1HH2 ARG 1 42.053 8.548 -6.221 13 HH22 ARG 1 2HH2 ARG 1 42.285 7.021 -5.437 14 H SER 2 H SER 2 33.812 9.275 -7.370 15 HA SER 2 HA SER 2 31.858 8.308 -9.125 16 HB2 SER 2 1HB SER 2 30.357 8.353 -7.227 17 HB3 SER 2 2HB SER 2 31.955 7.854 -6.682 18 HG SER 2 HG SER 2 31.707 9.458 -5.331 19 H LEU 3 H LEU 3 32.520 11.595 -8.094 20 HA LEU 3 HA LEU 3 30.020 12.760 -8.655 21 HB2 LEU 3 1HB LEU 3 32.769 14.005 -8.887 22 HB3 LEU 3 2HB LEU 3 31.243 14.880 -8.765 23 HG LEU 3 HG LEU 3 32.303 12.961 -6.668 24 HD11 LEU 3 1HD1 LEU 3 32.491 15.170 -5.357 25 HD12 LEU 3 2HD1 LEU 3 32.375 15.972 -6.924 26 HD13 LEU 3 3HD1 LEU 3 33.713 14.872 -6.593 27 HD21 LEU 3 1HD2 LEU 3 30.488 14.162 -5.306 28 HD22 LEU 3 2HD2 LEU 3 29.919 13.027 -6.529 29 HD23 LEU 3 3HD2 LEU 3 29.876 14.761 -6.847 30 H LEU 4 H LEU 4 32.732 11.949 -10.763 31 HA LEU 4 HA LEU 4 32.049 13.537 -12.977 32 HB2 LEU 4 1HB LEU 4 33.371 10.812 -12.970 33 HB3 LEU 4 2HB LEU 4 33.415 11.983 -14.288 34 HG LEU 4 HG LEU 4 34.481 12.493 -11.494 35 HD11 LEU 4 1HD1 LEU 4 36.692 12.508 -12.876 36 HD12 LEU 4 2HD1 LEU 4 35.771 11.580 -14.060 37 HD13 LEU 4 3HD1 LEU 4 35.994 10.951 -12.427 38 HD21 LEU 4 1HD2 LEU 4 35.624 14.398 -12.858 39 HD22 LEU 4 2HD2 LEU 4 33.928 14.595 -12.415 40 HD23 LEU 4 3HD2 LEU 4 34.361 14.093 -14.050 41 H GLU 5 H GLU 5 30.986 10.299 -12.021 42 HA GLU 5 HA GLU 5 29.479 9.770 -14.379 43 HB2 GLU 5 1HB GLU 5 29.302 8.624 -11.588 44 HB3 GLU 5 2HB GLU 5 28.360 8.029 -12.955 45 HG2 GLU 5 1HG GLU 5 30.272 6.629 -12.883 46 HG3 GLU 5 2HG GLU 5 30.587 7.766 -14.187 47 H GLY 6 H GLY 6 28.698 11.310 -11.295 48 HA2 GLY 6 1HA GLY 6 26.961 12.742 -10.770 49 HA3 GLY 6 2HA GLY 6 26.439 12.654 -12.449 50 H GLU 7 H GLU 7 26.871 9.912 -10.257 51 HA GLU 7 HA GLU 7 23.976 9.337 -10.510 52 HB2 GLU 7 1HB GLU 7 26.301 7.445 -10.087 53 HB3 GLU 7 2HB GLU 7 24.602 6.974 -10.166 54 HG2 GLU 7 1HG GLU 7 24.467 7.956 -12.449 55 HG3 GLU 7 2HG GLU 7 26.184 8.323 -12.371 56 H ILE 8 H ILE 8 22.904 8.422 -8.690 57 HA ILE 8 HA ILE 8 24.135 9.169 -6.102 58 HB ILE 8 HB ILE 8 21.814 9.368 -5.273 59 HG12 ILE 8 1HG1 ILE 8 21.024 8.956 -8.173 60 HG13 ILE 8 2HG1 ILE 8 20.848 7.727 -6.920 61 HG21 ILE 8 1HG2 ILE 8 22.983 11.340 -6.196 62 HG22 ILE 8 2HG2 ILE 8 21.252 11.419 -6.522 63 HG23 ILE 8 3HG2 ILE 8 22.371 10.949 -7.803 64 HD11 ILE 8 1HD1 ILE 8 18.737 8.960 -7.232 65 HD12 ILE 8 2HD1 ILE 8 19.569 10.476 -6.882 66 HD13 ILE 8 3HD1 ILE 8 19.401 9.250 -5.624 67 HA PRO 9 HA PRO 9 23.731 4.905 -4.979 68 HB2 PRO 9 1HB PRO 9 23.672 4.990 -2.280 69 HB3 PRO 9 2HB PRO 9 25.114 5.463 -3.202 70 HG2 PRO 9 1HG PRO 9 23.115 7.152 -1.827 71 HG3 PRO 9 2HG PRO 9 24.848 7.418 -2.075 72 HD2 PRO 9 1HD PRO 9 22.772 8.577 -3.580 73 HD3 PRO 9 2HD PRO 9 24.494 8.558 -4.013 74 H PHE 10 H PHE 10 21.534 4.797 -5.970 75 HA PHE 10 HA PHE 10 19.138 5.244 -4.676 76 HB2 PHE 10 1HB PHE 10 19.805 4.248 -7.083 77 HB3 PHE 10 2HB PHE 10 19.271 2.773 -6.302 78 HD1 PHE 10 HD1 PHE 10 18.255 6.188 -7.325 79 HD2 PHE 10 HD2 PHE 10 16.952 2.368 -5.855 80 HE1 PHE 10 HE1 PHE 10 15.899 6.820 -7.770 81 HE2 PHE 10 HE2 PHE 10 14.596 3.000 -6.300 82 HZ PHE 10 HZ PHE 10 14.069 5.226 -7.257 83 HA PRO 11 HA PRO 11 19.140 1.084 -2.524 84 HB2 PRO 11 1HB PRO 11 21.326 -0.634 -2.905 85 HB3 PRO 11 2HB PRO 11 19.786 -0.683 -3.773 86 HG2 PRO 11 1HG PRO 11 22.317 -0.056 -4.826 87 HG3 PRO 11 2HG PRO 11 20.749 0.059 -5.639 88 HD2 PRO 11 1HD PRO 11 22.362 2.212 -4.360 89 HD3 PRO 11 2HD PRO 11 21.227 2.309 -5.725 90 HA PRO 12 HA PRO 12 21.885 3.073 0.623 91 HB2 PRO 12 1HB PRO 12 20.204 1.450 2.476 92 HB3 PRO 12 2HB PRO 12 20.639 3.169 2.555 93 HG2 PRO 12 1HG PRO 12 18.209 2.392 1.823 94 HG3 PRO 12 2HG PRO 12 19.000 3.795 1.078 95 HD2 PRO 12 1HD PRO 12 18.577 1.061 -0.048 96 HD3 PRO 12 2HD PRO 12 18.604 2.633 -0.874 97 H THR 13 H THR 13 20.839 -0.329 1.013 98 HA THR 13 HA THR 13 23.029 -1.123 2.596 99 HB THR 13 HB THR 13 22.336 -3.414 2.073 100 HG1 THR 13 HG1 THR 13 21.867 -2.798 -0.188 101 HG21 THR 13 1HG2 THR 13 21.023 -2.299 3.746 102 HG22 THR 13 2HG2 THR 13 19.893 -3.147 2.691 103 HG23 THR 13 3HG2 THR 13 20.117 -1.406 2.525 104 H SER 14 H SER 14 22.903 -0.543 -0.812 105 HA SER 14 HA SER 14 24.876 -2.588 -1.482 106 HB2 SER 14 1HB SER 14 23.555 -0.457 -3.182 107 HB3 SER 14 2HB SER 14 24.651 -1.695 -3.785 108 HG SER 14 HG SER 14 22.270 -2.101 -3.846 109 H ILE 15 H ILE 15 24.565 0.934 -1.565 110 HA ILE 15 HA ILE 15 27.307 1.469 -2.076 111 HB ILE 15 HB ILE 15 25.505 3.133 -2.413 112 HG12 ILE 15 1HG1 ILE 15 26.751 5.046 -1.299 113 HG13 ILE 15 2HG1 ILE 15 27.771 3.827 -0.533 114 HG21 ILE 15 1HG2 ILE 15 24.157 2.656 -0.419 115 HG22 ILE 15 2HG2 ILE 15 24.624 4.356 -0.455 116 HG23 ILE 15 3HG2 ILE 15 25.463 3.234 0.617 117 HD11 ILE 15 1HD1 ILE 15 27.341 3.798 -3.513 118 HD12 ILE 15 2HD1 ILE 15 28.670 3.109 -2.581 119 HD13 ILE 15 3HD1 ILE 15 28.556 4.856 -2.795 120 H LEU 16 H LEU 16 25.442 0.907 0.871 121 HA LEU 16 HA LEU 16 27.453 1.603 2.743 122 HB2 LEU 16 1HB LEU 16 25.067 1.180 3.321 123 HB3 LEU 16 2HB LEU 16 25.325 -0.536 3.006 124 HG LEU 16 HG LEU 16 27.191 -0.468 4.720 125 HD11 LEU 16 1HD1 LEU 16 27.702 1.861 4.822 126 HD12 LEU 16 2HD1 LEU 16 26.937 1.477 6.364 127 HD13 LEU 16 3HD1 LEU 16 26.015 2.292 5.101 128 HD21 LEU 16 1HD2 LEU 16 24.329 0.155 5.485 129 HD22 LEU 16 2HD2 LEU 16 25.549 -0.301 6.674 130 HD23 LEU 16 3HD2 LEU 16 25.103 -1.426 5.392 131 H LEU 17 H LEU 17 26.787 -1.368 0.938 132 HA LEU 17 HA LEU 17 28.557 -3.056 2.373 133 HB2 LEU 17 1HB LEU 17 26.768 -3.865 0.838 134 HB3 LEU 17 2HB LEU 17 27.718 -3.279 -0.528 135 HG LEU 17 HG LEU 17 29.623 -4.733 0.311 136 HD11 LEU 17 1HD1 LEU 17 27.399 -5.605 2.157 137 HD12 LEU 17 2HD1 LEU 17 29.053 -5.155 2.570 138 HD13 LEU 17 3HD1 LEU 17 28.734 -6.685 1.753 139 HD21 LEU 17 1HD2 LEU 17 28.687 -6.770 -0.665 140 HD22 LEU 17 2HD2 LEU 17 28.102 -5.372 -1.567 141 HD23 LEU 17 3HD2 LEU 17 27.049 -6.174 -0.402 142 H LEU 18 H LEU 18 28.954 -1.145 -0.580 143 HA LEU 18 HA LEU 18 31.616 -1.846 -1.154 144 HB2 LEU 18 1HB LEU 18 30.028 -0.564 -2.641 145 HB3 LEU 18 2HB LEU 18 30.345 0.856 -1.645 146 HG LEU 18 HG LEU 18 32.677 -0.679 -2.748 147 HD11 LEU 18 1HD1 LEU 18 30.893 -0.163 -4.574 148 HD12 LEU 18 2HD1 LEU 18 32.561 0.327 -4.871 149 HD13 LEU 18 3HD1 LEU 18 31.373 1.519 -4.344 150 HD21 LEU 18 1HD2 LEU 18 33.364 1.073 -1.352 151 HD22 LEU 18 2HD2 LEU 18 32.048 2.128 -1.865 152 HD23 LEU 18 3HD2 LEU 18 33.414 1.835 -2.941 153 H LEU 19 H LEU 19 30.249 0.724 0.880 154 HA LEU 19 HA LEU 19 32.649 1.978 1.626 155 HB2 LEU 19 1HB LEU 19 30.368 2.851 2.117 156 HB3 LEU 19 2HB LEU 19 30.180 1.590 3.337 157 HG LEU 19 HG LEU 19 32.290 2.475 4.429 158 HD11 LEU 19 1HD1 LEU 19 31.860 4.548 2.282 159 HD12 LEU 19 2HD1 LEU 19 33.353 3.722 2.730 160 HD13 LEU 19 3HD1 LEU 19 32.678 4.962 3.788 161 HD21 LEU 19 1HD2 LEU 19 31.088 4.574 5.296 162 HD22 LEU 19 2HD2 LEU 19 30.221 3.047 5.462 163 HD23 LEU 19 3HD2 LEU 19 29.796 4.166 4.165 164 H ALA 20 H ALA 20 31.001 -0.862 2.948 165 HA ALA 20 HA ALA 20 32.600 -1.204 5.243 166 HB1 ALA 20 1HB ALA 20 31.381 -3.460 3.651 167 HB2 ALA 20 2HB ALA 20 30.416 -2.390 4.666 168 HB3 ALA 20 3HB ALA 20 31.676 -3.390 5.388 169 H CYS 21 H CYS 21 32.955 -2.440 1.938 170 HA CYS 21 HA CYS 21 35.159 -4.118 2.384 171 HB2 CYS 21 1HB CYS 21 34.393 -2.551 -0.090 172 HB3 CYS 21 2HB CYS 21 35.598 -3.837 -0.050 173 HG CYS 21 HG CYS 21 33.787 -5.567 0.224 174 H ILE 22 H ILE 22 34.995 -0.668 1.578 175 HA ILE 22 HA ILE 22 37.746 -0.257 1.140 176 HB ILE 22 HB ILE 22 35.718 1.708 2.244 177 HG12 ILE 22 1HG1 ILE 22 36.609 1.262 -0.619 178 HG13 ILE 22 2HG1 ILE 22 35.132 0.575 0.054 179 HG21 ILE 22 1HG2 ILE 22 38.145 2.357 2.464 180 HG22 ILE 22 2HG2 ILE 22 37.218 3.423 1.409 181 HG23 ILE 22 3HG2 ILE 22 38.289 2.208 0.712 182 HD11 ILE 22 1HD1 ILE 22 34.766 2.743 -1.163 183 HD12 ILE 22 2HD1 ILE 22 35.763 3.541 0.051 184 HD13 ILE 22 3HD1 ILE 22 34.243 2.781 0.519 185 H PHE 23 H PHE 23 35.794 0.058 4.094 186 HA PHE 23 HA PHE 23 37.863 0.976 5.770 187 HB2 PHE 23 1HB PHE 23 35.275 -0.443 6.265 188 HB3 PHE 23 2HB PHE 23 36.403 -0.210 7.587 189 HD1 PHE 23 HD1 PHE 23 37.117 2.145 8.186 190 HD2 PHE 23 HD2 PHE 23 33.869 1.311 5.502 191 HE1 PHE 23 HE1 PHE 23 36.258 4.448 8.512 192 HE2 PHE 23 HE2 PHE 23 33.009 3.616 5.829 193 HZ PHE 23 HZ PHE 23 34.204 5.183 7.334 194 H LEU 24 H LEU 24 36.797 -2.312 4.984 195 HA LEU 24 HA LEU 24 38.298 -3.657 6.943 196 HB2 LEU 24 1HB LEU 24 36.460 -4.672 5.607 197 HB3 LEU 24 2HB LEU 24 37.524 -4.678 4.201 198 HG LEU 24 HG LEU 24 39.170 -6.029 5.580 199 HD11 LEU 24 1HD1 LEU 24 36.784 -6.028 7.438 200 HD12 LEU 24 2HD1 LEU 24 38.449 -5.582 7.811 201 HD13 LEU 24 3HD1 LEU 24 38.034 -7.270 7.509 202 HD21 LEU 24 1HD2 LEU 24 37.696 -8.137 5.453 203 HD22 LEU 24 2HD2 LEU 24 37.904 -7.224 3.959 204 HD23 LEU 24 3HD2 LEU 24 36.414 -7.064 4.890 205 H ILE 25 H ILE 25 39.103 -2.785 3.590 206 HA ILE 25 HA ILE 25 41.551 -4.228 3.595 207 HB ILE 25 HB ILE 25 42.081 -2.921 1.524 208 HG12 ILE 25 1HG1 ILE 25 39.302 -1.778 1.938 209 HG13 ILE 25 2HG1 ILE 25 40.785 -0.859 2.181 210 HG21 ILE 25 1HG2 ILE 25 40.835 -5.072 1.537 211 HG22 ILE 25 2HG2 ILE 25 40.332 -4.017 0.216 212 HG23 ILE 25 3HG2 ILE 25 39.322 -4.172 1.655 213 HD11 ILE 25 1HD1 ILE 25 39.924 -2.177 -0.407 214 HD12 ILE 25 2HD1 ILE 25 41.436 -1.302 -0.165 215 HD13 ILE 25 3HD1 ILE 25 39.896 -0.446 -0.066 216 H LYS 26 H LYS 26 40.833 -0.793 4.218 217 HA LYS 26 HA LYS 26 43.515 0.072 4.325 218 HB2 LYS 26 1HB LYS 26 41.134 1.164 5.839 219 HB3 LYS 26 2HB LYS 26 42.664 1.999 5.580 220 HG2 LYS 26 1HG LYS 26 40.840 1.047 3.356 221 HG3 LYS 26 2HG LYS 26 40.884 2.699 3.967 222 HD2 LYS 26 1HD LYS 26 43.348 2.745 3.406 223 HD3 LYS 26 2HD LYS 26 43.128 1.189 2.602 224 HE2 LYS 26 1HE LYS 26 41.799 2.087 0.916 225 HE3 LYS 26 2HE LYS 26 41.311 3.470 1.896 226 HZ1 LYS 26 1HZ LYS 26 43.317 4.533 1.551 227 HZ2 LYS 26 2HZ LYS 26 43.029 3.814 0.039 228 HZ3 LYS 26 3HZ LYS 26 44.132 3.109 1.122 229 H ILE 27 H ILE 27 41.400 -1.272 6.831 230 HA ILE 27 HA ILE 27 43.182 -0.826 8.991 231 HB ILE 27 HB ILE 27 41.006 -2.914 8.698 232 HG12 ILE 27 1HG1 ILE 27 40.917 -0.207 10.054 233 HG13 ILE 27 2HG1 ILE 27 40.358 -0.473 8.403 234 HG21 ILE 27 1HG2 ILE 27 42.288 -1.749 11.191 235 HG22 ILE 27 2HG2 ILE 27 42.623 -3.358 10.554 236 HG23 ILE 27 3HG2 ILE 27 41.009 -2.962 11.143 237 HD11 ILE 27 1HD1 ILE 27 38.824 -2.262 9.285 238 HD12 ILE 27 2HD1 ILE 27 38.444 -0.644 9.878 239 HD13 ILE 27 3HD1 ILE 27 39.294 -1.787 10.918 240 H LEU 28 H LEU 28 42.659 -3.667 6.897 241 HA LEU 28 HA LEU 28 44.382 -5.422 8.249 242 HB2 LEU 28 1HB LEU 28 42.757 -6.090 6.482 243 HB3 LEU 28 2HB LEU 28 43.813 -5.352 5.277 244 HG LEU 28 HG LEU 28 45.668 -6.856 6.127 245 HD11 LEU 28 1HD1 LEU 28 43.327 -7.902 7.711 246 HD12 LEU 28 2HD1 LEU 28 44.958 -7.530 8.269 247 HD13 LEU 28 3HD1 LEU 28 44.670 -8.963 7.283 248 HD21 LEU 28 1HD2 LEU 28 44.902 -8.771 4.852 249 HD22 LEU 28 2HD2 LEU 28 44.265 -7.318 4.083 250 HD23 LEU 28 3HD2 LEU 28 43.217 -8.312 5.093 251 H ALA 29 H ALA 29 45.001 -3.149 5.603 252 HA ALA 29 HA ALA 29 47.742 -3.778 5.258 253 HB1 ALA 29 1HB ALA 29 46.066 -2.313 3.822 254 HB2 ALA 29 2HB ALA 29 47.802 -2.003 3.786 255 HB3 ALA 29 3HB ALA 29 46.748 -1.001 4.784 256 H ALA 30 H ALA 30 46.062 -1.490 7.363 257 HA ALA 30 HA ALA 30 48.649 -0.722 8.572 258 HB1 ALA 30 1HB ALA 30 47.095 1.132 9.579 259 HB2 ALA 30 2HB ALA 30 46.023 0.690 8.250 260 HB3 ALA 30 3HB ALA 30 47.653 1.272 7.913 261 H SER 31 H SER 31 47.529 -3.219 9.232 262 HA SER 31 HA SER 31 45.790 -3.295 11.404 263 HB2 SER 31 1HB SER 31 48.144 -5.124 10.884 264 HB3 SER 31 2HB SER 31 46.758 -5.482 11.908 265 HG SER 31 HG SER 31 46.495 -6.341 9.812 266 H ALA 32 H ALA 32 49.286 -2.735 11.345 267 HA ALA 32 HA ALA 32 49.755 -2.935 14.115 268 HB1 ALA 32 1HB ALA 32 51.450 -2.750 12.172 269 HB2 ALA 32 2HB ALA 32 51.845 -1.946 13.692 270 HB3 ALA 32 3HB ALA 32 51.227 -1.008 12.332 271 H LEU 33 H LEU 33 48.969 -0.106 12.091 272 HA LEU 33 HA LEU 33 49.083 1.818 14.142 273 HB2 LEU 33 1HB LEU 33 47.346 1.826 11.661 274 HB3 LEU 33 2HB LEU 33 47.764 3.232 12.640 275 HG LEU 33 HG LEU 33 49.773 1.472 11.201 276 HD11 LEU 33 1HD1 LEU 33 49.959 3.225 9.577 277 HD12 LEU 33 2HD1 LEU 33 48.940 4.305 10.530 278 HD13 LEU 33 3HD1 LEU 33 48.236 2.890 9.746 279 HD21 LEU 33 1HD2 LEU 33 49.985 4.005 12.846 280 HD22 LEU 33 2HD2 LEU 33 51.248 3.509 11.719 281 HD23 LEU 33 3HD2 LEU 33 50.835 2.478 13.089 282 H TRP 34 H TRP 34 46.448 -0.271 13.051 283 HA TRP 34 HA TRP 34 44.365 0.926 14.521 284 HB2 TRP 34 1HB TRP 34 44.110 -0.763 12.691 285 HB3 TRP 34 2HB TRP 34 44.653 -1.994 13.816 286 HD1 TRP 34 HD1 TRP 34 41.686 0.188 12.934 287 HE1 TRP 34 HE1 TRP 34 39.626 -0.610 14.261 288 HE3 TRP 34 HE3 TRP 34 43.909 -3.160 16.084 289 HZ2 TRP 34 HZ2 TRP 34 39.001 -2.430 16.381 290 HZ3 TRP 34 HZ3 TRP 34 42.563 -4.409 17.742 291 HH2 TRP 34 HH2 TRP 34 40.116 -4.051 17.897 292 H ALA 35 H ALA 35 46.600 -1.704 15.354 293 HA ALA 35 HA ALA 35 45.476 -2.364 17.847 294 HB1 ALA 35 1HB ALA 35 47.353 -3.540 16.455 295 HB2 ALA 35 2HB ALA 35 47.389 -3.642 18.215 296 HB3 ALA 35 3HB ALA 35 48.437 -2.498 17.376 297 H ALA 36 H ALA 36 48.024 -0.056 16.978 298 HA ALA 36 HA ALA 36 48.582 0.891 19.568 299 HB1 ALA 36 1HB ALA 36 49.940 1.373 17.527 300 HB2 ALA 36 2HB ALA 36 49.572 2.811 18.479 301 HB3 ALA 36 3HB ALA 36 48.675 2.482 16.998 302 H ALA 37 H ALA 37 46.046 1.761 17.272 303 HA ALA 37 HA ALA 37 45.126 4.110 18.517 304 HB1 ALA 37 1HB ALA 37 44.497 3.067 16.227 305 HB2 ALA 37 2HB ALA 37 43.259 3.946 17.124 306 HB3 ALA 37 3HB ALA 37 43.277 2.183 17.144 307 H TRP 38 H TRP 38 44.597 0.732 19.321 308 HA TRP 38 HA TRP 38 42.253 0.846 20.794 309 HB2 TRP 38 1HB TRP 38 43.552 -1.207 20.257 310 HB3 TRP 38 2HB TRP 38 44.715 -0.754 21.489 311 HD1 TRP 38 HD1 TRP 38 44.224 -1.494 23.889 312 HE1 TRP 38 HE1 TRP 38 42.249 -2.660 25.064 313 HE3 TRP 38 HE3 TRP 38 40.768 -1.369 20.133 314 HZ2 TRP 38 HZ2 TRP 38 39.554 -3.438 24.486 315 HZ3 TRP 38 HZ3 TRP 38 38.510 -2.327 20.470 316 HH2 TRP 38 HH2 TRP 38 37.897 -3.361 22.637 317 H HIS 39 H HIS 39 45.513 1.814 21.759 318 HA HIS 39 HA HIS 39 44.470 2.655 24.391 319 HB2 HIS 39 1HB HIS 39 47.297 2.272 23.401 320 HB3 HIS 39 2HB HIS 39 46.875 2.884 24.989 321 HD1 HIS 39 HD1 HIS 39 47.012 -0.244 22.948 322 HD2 HIS 39 HD2 HIS 39 45.871 0.896 26.792 323 HE1 HIS 39 HE1 HIS 39 46.723 -2.382 24.272 324 H GLY 40 H GLY 40 44.367 4.759 24.933 325 HA2 GLY 40 1HA GLY 40 45.626 6.973 24.548 326 HA3 GLY 40 2HA GLY 40 45.140 6.726 22.873 327 H GLN 41 H GLN 41 44.419 8.721 25.116 328 HA GLN 41 HA GLN 41 41.741 8.400 25.866 329 HB2 GLN 41 1HB GLN 41 43.310 10.107 26.791 330 HB3 GLN 41 2HB GLN 41 43.146 11.016 25.287 331 HG2 GLN 41 1HG GLN 41 40.662 11.063 25.666 332 HG3 GLN 41 2HG GLN 41 40.939 10.333 27.246 333 HE21 GLN 41 1HE2 GLN 41 40.876 11.914 28.841 334 HE22 GLN 41 2HE2 GLN 41 41.505 13.482 28.683 335 H LYS 42 H LYS 42 43.154 9.781 22.927 336 HA LYS 42 HA LYS 42 40.712 10.812 21.897 337 HB2 LYS 42 1HB LYS 42 43.253 10.030 20.447 338 HB3 LYS 42 2HB LYS 42 41.944 11.000 19.768 339 HG2 LYS 42 1HG LYS 42 42.274 12.649 21.626 340 HG3 LYS 42 2HG LYS 42 43.682 11.720 22.145 341 HD2 LYS 42 1HD LYS 42 44.573 11.998 19.767 342 HD3 LYS 42 2HD LYS 42 43.296 13.193 19.533 343 HE2 LYS 42 1HE LYS 42 44.169 14.364 21.614 344 HE3 LYS 42 2HE LYS 42 45.565 13.289 21.533 345 HZ1 LYS 42 1HZ LYS 42 44.669 15.191 19.436 346 HZ2 LYS 42 2HZ LYS 42 45.942 14.081 19.251 347 HZ3 LYS 42 3HZ LYS 42 46.060 15.327 20.399 348 HA PRO 43 HA PRO 43 38.718 7.158 20.371 349 HB2 PRO 43 1HB PRO 43 38.238 8.533 17.775 350 HB3 PRO 43 2HB PRO 43 37.077 7.807 18.904 351 HG2 PRO 43 1HG PRO 43 37.332 10.445 18.663 352 HG3 PRO 43 2HG PRO 43 36.978 9.676 20.222 353 HD2 PRO 43 1HD PRO 43 39.555 10.837 19.243 354 HD3 PRO 43 2HD PRO 43 38.875 10.814 20.885 355 H GLY 44 H GLY 44 38.855 5.495 18.658 356 HA2 GLY 44 1HA GLY 44 41.474 4.827 17.962 357 HA3 GLY 44 2HA GLY 44 40.034 4.125 17.233 358 H THR 45 H THR 45 38.999 6.555 16.110 359 HA THR 45 HA THR 45 40.722 6.711 13.762 360 HB THR 45 HB THR 45 38.026 7.998 14.252 361 HG1 THR 45 HG1 THR 45 37.327 6.044 14.050 362 HG21 THR 45 1HG2 THR 45 39.757 7.555 11.816 363 HG22 THR 45 2HG2 THR 45 39.091 9.073 12.417 364 HG23 THR 45 3HG2 THR 45 38.026 7.870 11.691 365 H HIS 46 H HIS 46 41.855 8.473 13.123 366 HA HIS 46 HA HIS 46 41.850 10.815 14.936 367 HB2 HIS 46 1HB HIS 46 44.134 11.201 14.214 368 HB3 HIS 46 2HB HIS 46 43.967 9.578 14.853 369 HD1 HIS 46 HD1 HIS 46 43.720 7.644 12.939 370 HD2 HIS 46 HD2 HIS 46 45.236 11.321 11.686 371 HE1 HIS 46 HE1 HIS 46 44.853 7.230 10.713 Start of MODEL 14 1 H ARG 1 3H ARG 1 24.942 -10.973 -8.889 2 HA ARG 1 HA ARG 1 23.745 -13.070 -9.226 3 HB2 ARG 1 1HB ARG 1 24.154 -13.917 -6.916 4 HB3 ARG 1 2HB ARG 1 23.021 -12.713 -6.303 5 HG2 ARG 1 1HG ARG 1 21.260 -13.677 -7.791 6 HG3 ARG 1 2HG ARG 1 22.393 -14.945 -8.256 7 HD2 ARG 1 1HD ARG 1 21.440 -14.392 -5.431 8 HD3 ARG 1 2HD ARG 1 20.884 -15.705 -6.459 9 HE ARG 1 HE ARG 1 22.940 -16.795 -6.154 10 HH11 ARG 1 1HH1 ARG 1 23.018 -13.646 -4.592 11 HH12 ARG 1 2HH1 ARG 1 24.415 -14.044 -3.652 12 HH21 ARG 1 1HH2 ARG 1 24.739 -17.237 -4.920 13 HH22 ARG 1 2HH2 ARG 1 25.379 -16.047 -3.837 14 H SER 2 H SER 2 22.911 -10.335 -7.121 15 HA SER 2 HA SER 2 20.222 -10.051 -7.840 16 HB2 SER 2 1HB SER 2 20.395 -7.795 -6.981 17 HB3 SER 2 2HB SER 2 21.346 -8.872 -5.964 18 HG SER 2 HG SER 2 22.125 -6.812 -7.619 19 H LEU 3 H LEU 3 23.117 -9.134 -9.591 20 HA LEU 3 HA LEU 3 22.054 -7.151 -11.270 21 HB2 LEU 3 1HB LEU 3 24.476 -7.693 -11.024 22 HB3 LEU 3 2HB LEU 3 24.204 -9.163 -11.960 23 HG LEU 3 HG LEU 3 23.254 -7.689 -13.797 24 HD11 LEU 3 1HD1 LEU 3 24.345 -5.592 -11.914 25 HD12 LEU 3 2HD1 LEU 3 22.740 -5.674 -12.638 26 HD13 LEU 3 3HD1 LEU 3 24.140 -5.282 -13.638 27 HD21 LEU 3 1HD2 LEU 3 25.468 -8.562 -14.085 28 HD22 LEU 3 2HD2 LEU 3 26.136 -7.439 -12.901 29 HD23 LEU 3 3HD2 LEU 3 25.570 -6.841 -14.461 30 H LEU 4 H LEU 4 21.971 -10.675 -11.510 31 HA LEU 4 HA LEU 4 21.244 -10.890 -14.216 32 HB2 LEU 4 1HB LEU 4 20.475 -12.708 -11.919 33 HB3 LEU 4 2HB LEU 4 20.434 -13.128 -13.631 34 HG LEU 4 HG LEU 4 22.930 -12.295 -12.122 35 HD11 LEU 4 1HD1 LEU 4 21.971 -14.522 -11.446 36 HD12 LEU 4 2HD1 LEU 4 23.562 -14.636 -12.199 37 HD13 LEU 4 3HD1 LEU 4 22.116 -15.038 -13.127 38 HD21 LEU 4 1HD2 LEU 4 22.350 -13.154 -14.957 39 HD22 LEU 4 2HD2 LEU 4 23.950 -13.378 -14.252 40 HD23 LEU 4 3HD2 LEU 4 23.270 -11.757 -14.400 41 H GLU 5 H GLU 5 19.279 -10.440 -11.311 42 HA GLU 5 HA GLU 5 16.761 -10.773 -12.593 43 HB2 GLU 5 1HB GLU 5 17.536 -9.379 -10.027 44 HB3 GLU 5 2HB GLU 5 15.869 -9.593 -10.560 45 HG2 GLU 5 1HG GLU 5 16.290 -11.431 -9.120 46 HG3 GLU 5 2HG GLU 5 16.402 -12.087 -10.747 47 H GLY 6 H GLY 6 18.864 -7.983 -12.104 48 HA2 GLY 6 1HA GLY 6 18.826 -6.107 -13.577 49 HA3 GLY 6 2HA GLY 6 17.139 -6.446 -13.925 50 H GLU 7 H GLU 7 16.943 -6.779 -10.772 51 HA GLU 7 HA GLU 7 16.371 -3.930 -10.321 52 HB2 GLU 7 1HB GLU 7 14.584 -5.643 -9.919 53 HB3 GLU 7 2HB GLU 7 15.582 -6.311 -8.627 54 HG2 GLU 7 1HG GLU 7 15.591 -4.079 -7.524 55 HG3 GLU 7 2HG GLU 7 14.513 -3.480 -8.777 56 H ILE 8 H ILE 8 17.215 -2.798 -8.577 57 HA ILE 8 HA ILE 8 19.787 -3.751 -7.673 58 HB ILE 8 HB ILE 8 19.485 -1.424 -8.400 59 HG12 ILE 8 1HG1 ILE 8 20.356 -0.318 -6.236 60 HG13 ILE 8 2HG1 ILE 8 20.234 -1.923 -5.520 61 HG21 ILE 8 1HG2 ILE 8 17.176 -1.063 -7.702 62 HG22 ILE 8 2HG2 ILE 8 18.213 0.145 -6.948 63 HG23 ILE 8 3HG2 ILE 8 17.635 -1.228 -6.007 64 HD11 ILE 8 1HD1 ILE 8 21.694 -2.834 -7.280 65 HD12 ILE 8 2HD1 ILE 8 22.499 -1.514 -6.433 66 HD13 ILE 8 3HD1 ILE 8 21.798 -1.240 -8.027 67 HA PRO 9 HA PRO 9 17.911 -5.056 -3.802 68 HB2 PRO 9 1HB PRO 9 20.152 -5.755 -2.405 69 HB3 PRO 9 2HB PRO 9 19.465 -6.747 -3.702 70 HG2 PRO 9 1HG PRO 9 21.896 -5.133 -3.680 71 HG3 PRO 9 2HG PRO 9 21.441 -6.481 -4.731 72 HD2 PRO 9 1HD PRO 9 21.348 -3.687 -5.343 73 HD3 PRO 9 2HD PRO 9 20.841 -5.039 -6.373 74 H PHE 10 H PHE 10 17.351 -2.695 -3.531 75 HA PHE 10 HA PHE 10 17.131 -0.900 -2.116 76 HB2 PHE 10 1HB PHE 10 18.649 -2.736 -0.272 77 HB3 PHE 10 2HB PHE 10 17.929 -1.215 0.219 78 HD1 PHE 10 HD1 PHE 10 15.364 -0.943 -0.302 79 HD2 PHE 10 HD2 PHE 10 17.424 -4.708 -0.114 80 HE1 PHE 10 HE1 PHE 10 13.206 -2.105 0.083 81 HE2 PHE 10 HE2 PHE 10 15.267 -5.870 0.272 82 HZ PHE 10 HZ PHE 10 13.157 -4.568 0.370 83 HA PRO 11 HA PRO 11 21.213 0.743 -3.549 84 HB2 PRO 11 1HB PRO 11 19.859 3.308 -2.878 85 HB3 PRO 11 2HB PRO 11 20.790 2.852 -4.312 86 HG2 PRO 11 1HG PRO 11 18.109 2.988 -4.308 87 HG3 PRO 11 2HG PRO 11 19.023 1.868 -5.331 88 HD2 PRO 11 1HD PRO 11 17.373 1.289 -2.945 89 HD3 PRO 11 2HD PRO 11 17.847 0.217 -4.279 90 HA PRO 12 HA PRO 12 21.647 3.175 0.787 91 HB2 PRO 12 1HB PRO 12 19.854 1.225 2.198 92 HB3 PRO 12 2HB PRO 12 20.221 2.915 2.595 93 HG2 PRO 12 1HG PRO 12 17.944 2.223 1.409 94 HG3 PRO 12 2HG PRO 12 18.773 3.744 1.034 95 HD2 PRO 12 1HD PRO 12 18.502 1.311 -0.625 96 HD3 PRO 12 2HD PRO 12 18.797 2.989 -1.118 97 H THR 13 H THR 13 20.820 -0.262 1.393 98 HA THR 13 HA THR 13 23.178 -0.823 2.803 99 HB THR 13 HB THR 13 21.205 -2.228 2.989 100 HG1 THR 13 HG1 THR 13 22.369 -3.982 3.233 101 HG21 THR 13 1HG2 THR 13 21.813 -2.961 0.110 102 HG22 THR 13 2HG2 THR 13 20.398 -2.080 0.688 103 HG23 THR 13 3HG2 THR 13 20.622 -3.774 1.126 104 H SER 14 H SER 14 22.857 -0.380 -0.567 105 HA SER 14 HA SER 14 24.742 -2.439 -1.378 106 HB2 SER 14 1HB SER 14 22.859 -1.750 -2.860 107 HB3 SER 14 2HB SER 14 23.571 -0.144 -2.971 108 HG SER 14 HG SER 14 24.724 -0.967 -4.522 109 H ILE 15 H ILE 15 24.610 1.103 -1.473 110 HA ILE 15 HA ILE 15 27.365 1.500 -1.982 111 HB ILE 15 HB ILE 15 25.646 3.253 -2.307 112 HG12 ILE 15 1HG1 ILE 15 27.006 5.104 -1.222 113 HG13 ILE 15 2HG1 ILE 15 27.973 3.837 -0.466 114 HG21 ILE 15 1HG2 ILE 15 25.615 3.292 0.723 115 HG22 ILE 15 2HG2 ILE 15 24.262 2.931 -0.350 116 HG23 ILE 15 3HG2 ILE 15 24.933 4.559 -0.295 117 HD11 ILE 15 1HD1 ILE 15 28.766 3.036 -2.540 118 HD12 ILE 15 2HD1 ILE 15 28.808 4.789 -2.723 119 HD13 ILE 15 3HD1 ILE 15 27.494 3.859 -3.443 120 H LEU 16 H LEU 16 25.524 0.986 0.996 121 HA LEU 16 HA LEU 16 27.630 1.535 2.816 122 HB2 LEU 16 1HB LEU 16 25.281 -0.360 3.010 123 HB3 LEU 16 2HB LEU 16 26.368 0.001 4.352 124 HG LEU 16 HG LEU 16 24.876 2.140 2.814 125 HD11 LEU 16 1HD1 LEU 16 23.105 1.006 3.832 126 HD12 LEU 16 2HD1 LEU 16 23.555 2.156 5.090 127 HD13 LEU 16 3HD1 LEU 16 24.095 0.480 5.194 128 HD21 LEU 16 1HD2 LEU 16 25.374 3.275 5.132 129 HD22 LEU 16 2HD2 LEU 16 26.658 3.172 3.927 130 HD23 LEU 16 3HD2 LEU 16 26.611 2.026 5.267 131 H LEU 17 H LEU 17 26.803 -1.333 0.920 132 HA LEU 17 HA LEU 17 28.542 -3.155 2.208 133 HB2 LEU 17 1HB LEU 17 26.726 -3.814 0.642 134 HB3 LEU 17 2HB LEU 17 27.665 -3.144 -0.691 135 HG LEU 17 HG LEU 17 29.548 -4.701 -0.018 136 HD11 LEU 17 1HD1 LEU 17 27.351 -5.692 1.805 137 HD12 LEU 17 2HD1 LEU 17 29.004 -5.252 2.232 138 HD13 LEU 17 3HD1 LEU 17 28.693 -6.725 1.315 139 HD21 LEU 17 1HD2 LEU 17 26.885 -5.915 -0.821 140 HD22 LEU 17 2HD2 LEU 17 28.450 -6.704 -1.020 141 HD23 LEU 17 3HD2 LEU 17 28.087 -5.225 -1.911 142 H LEU 18 H LEU 18 28.982 -1.087 -0.639 143 HA LEU 18 HA LEU 18 31.637 -1.821 -1.225 144 HB2 LEU 18 1HB LEU 18 30.026 0.667 -1.757 145 HB3 LEU 18 2HB LEU 18 31.725 0.564 -2.221 146 HG LEU 18 HG LEU 18 31.059 -1.688 -3.334 147 HD11 LEU 18 1HD1 LEU 18 28.380 -0.349 -2.905 148 HD12 LEU 18 2HD1 LEU 18 28.853 -1.986 -2.453 149 HD13 LEU 18 3HD1 LEU 18 28.647 -1.565 -4.154 150 HD21 LEU 18 1HD2 LEU 18 31.724 0.253 -4.636 151 HD22 LEU 18 2HD2 LEU 18 30.148 1.005 -4.391 152 HD23 LEU 18 3HD2 LEU 18 30.288 -0.448 -5.382 153 H LEU 19 H LEU 19 30.304 0.684 0.908 154 HA LEU 19 HA LEU 19 32.715 1.874 1.708 155 HB2 LEU 19 1HB LEU 19 30.446 2.745 2.246 156 HB3 LEU 19 2HB LEU 19 30.245 1.428 3.402 157 HG LEU 19 HG LEU 19 32.363 2.237 4.538 158 HD11 LEU 19 1HD1 LEU 19 33.437 3.553 2.896 159 HD12 LEU 19 2HD1 LEU 19 32.784 4.744 4.021 160 HD13 LEU 19 3HD1 LEU 19 31.955 4.421 2.498 161 HD21 LEU 19 1HD2 LEU 19 30.097 4.251 4.385 162 HD22 LEU 19 2HD2 LEU 19 31.218 4.033 5.729 163 HD23 LEU 19 3HD2 LEU 19 30.050 2.769 5.340 164 H ALA 20 H ALA 20 31.055 -1.024 2.881 165 HA ALA 20 HA ALA 20 32.641 -1.462 5.175 166 HB1 ALA 20 1HB ALA 20 30.517 -2.625 4.813 167 HB2 ALA 20 2HB ALA 20 31.822 -3.788 5.047 168 HB3 ALA 20 3HB ALA 20 31.202 -3.471 3.426 169 H CYS 21 H CYS 21 32.982 -2.617 1.834 170 HA CYS 21 HA CYS 21 35.161 -4.343 2.271 171 HB2 CYS 21 1HB CYS 21 34.391 -2.772 -0.200 172 HB3 CYS 21 2HB CYS 21 35.584 -4.070 -0.169 173 HG CYS 21 HG CYS 21 33.269 -5.131 -0.796 174 H ILE 22 H ILE 22 35.060 -0.921 1.328 175 HA ILE 22 HA ILE 22 37.828 -0.578 0.948 176 HB ILE 22 HB ILE 22 35.795 1.472 1.876 177 HG12 ILE 22 1HG1 ILE 22 36.767 0.818 -0.922 178 HG13 ILE 22 2HG1 ILE 22 35.237 0.248 -0.255 179 HG21 ILE 22 1HG2 ILE 22 37.351 3.106 0.900 180 HG22 ILE 22 2HG2 ILE 22 38.465 1.808 0.468 181 HG23 ILE 22 3HG2 ILE 22 38.160 2.181 2.166 182 HD11 ILE 22 1HD1 ILE 22 34.724 2.233 -1.489 183 HD12 ILE 22 2HD1 ILE 22 36.074 3.109 -0.768 184 HD13 ILE 22 3HD1 ILE 22 34.672 2.686 0.214 185 H PHE 23 H PHE 23 35.809 -0.191 3.840 186 HA PHE 23 HA PHE 23 37.779 0.873 5.539 187 HB2 PHE 23 1HB PHE 23 35.353 0.811 6.043 188 HB3 PHE 23 2HB PHE 23 35.462 -0.924 6.269 189 HD1 PHE 23 HD1 PHE 23 36.450 2.374 7.623 190 HD2 PHE 23 HD2 PHE 23 36.367 -1.868 8.293 191 HE1 PHE 23 HE1 PHE 23 37.054 2.737 10.001 192 HE2 PHE 23 HE2 PHE 23 36.971 -1.505 10.670 193 HZ PHE 23 HZ PHE 23 37.314 0.798 11.525 194 H LEU 24 H LEU 24 36.838 -2.486 4.890 195 HA LEU 24 HA LEU 24 38.423 -3.707 6.861 196 HB2 LEU 24 1HB LEU 24 36.609 -4.796 5.489 197 HB3 LEU 24 2HB LEU 24 37.756 -4.880 4.154 198 HG LEU 24 HG LEU 24 38.595 -5.943 6.832 199 HD11 LEU 24 1HD1 LEU 24 37.618 -8.134 6.299 200 HD12 LEU 24 2HD1 LEU 24 36.882 -7.463 4.843 201 HD13 LEU 24 3HD1 LEU 24 36.350 -6.915 6.433 202 HD21 LEU 24 1HD2 LEU 24 40.332 -6.064 5.268 203 HD22 LEU 24 2HD2 LEU 24 39.236 -6.404 3.930 204 HD23 LEU 24 3HD2 LEU 24 39.601 -7.661 5.112 205 H ILE 25 H ILE 25 39.149 -2.868 3.493 206 HA ILE 25 HA ILE 25 41.705 -4.073 3.398 207 HB ILE 25 HB ILE 25 40.691 -1.678 1.841 208 HG12 ILE 25 1HG1 ILE 25 40.698 -4.620 1.101 209 HG13 ILE 25 2HG1 ILE 25 39.280 -3.764 1.708 210 HG21 ILE 25 1HG2 ILE 25 43.163 -2.022 1.750 211 HG22 ILE 25 2HG2 ILE 25 42.386 -2.316 0.194 212 HG23 ILE 25 3HG2 ILE 25 42.886 -3.675 1.200 213 HD11 ILE 25 1HD1 ILE 25 40.781 -3.278 -0.869 214 HD12 ILE 25 2HD1 ILE 25 39.658 -2.094 -0.199 215 HD13 ILE 25 3HD1 ILE 25 39.080 -3.694 -0.663 216 H LYS 26 H LYS 26 40.705 -0.755 4.198 217 HA LYS 26 HA LYS 26 43.276 0.360 4.347 218 HB2 LYS 26 1HB LYS 26 41.153 1.658 4.264 219 HB3 LYS 26 2HB LYS 26 40.825 1.173 5.927 220 HG2 LYS 26 1HG LYS 26 41.832 3.319 6.095 221 HG3 LYS 26 2HG LYS 26 43.115 2.185 6.507 222 HD2 LYS 26 1HD LYS 26 44.010 2.321 4.233 223 HD3 LYS 26 2HD LYS 26 42.687 3.384 3.755 224 HE2 LYS 26 1HE LYS 26 43.434 5.052 5.426 225 HE3 LYS 26 2HE LYS 26 44.775 3.995 5.866 226 HZ1 LYS 26 1HZ LYS 26 45.412 5.716 4.261 227 HZ2 LYS 26 2HZ LYS 26 44.296 5.084 3.146 228 HZ3 LYS 26 3HZ LYS 26 45.629 4.152 3.639 229 H ILE 27 H ILE 27 41.289 -1.221 6.820 230 HA ILE 27 HA ILE 27 43.163 -0.671 8.923 231 HB ILE 27 HB ILE 27 41.744 -2.091 10.311 232 HG12 ILE 27 1HG1 ILE 27 40.175 -2.636 7.774 233 HG13 ILE 27 2HG1 ILE 27 41.263 -3.802 8.529 234 HG21 ILE 27 1HG2 ILE 27 39.847 -0.683 10.277 235 HG22 ILE 27 2HG2 ILE 27 39.929 -0.471 8.528 236 HG23 ILE 27 3HG2 ILE 27 41.124 0.306 9.567 237 HD11 ILE 27 1HD1 ILE 27 38.719 -2.636 9.670 238 HD12 ILE 27 2HD1 ILE 27 39.901 -3.486 10.665 239 HD13 ILE 27 3HD1 ILE 27 39.086 -4.331 9.349 240 H LEU 28 H LEU 28 42.643 -3.387 6.737 241 HA LEU 28 HA LEU 28 44.202 -5.294 8.095 242 HB2 LEU 28 1HB LEU 28 42.667 -5.419 5.923 243 HB3 LEU 28 2HB LEU 28 44.205 -5.187 5.105 244 HG LEU 28 HG LEU 28 43.759 -7.559 5.281 245 HD11 LEU 28 1HD1 LEU 28 45.776 -7.095 7.461 246 HD12 LEU 28 2HD1 LEU 28 46.118 -6.596 5.804 247 HD13 LEU 28 3HD1 LEU 28 45.797 -8.291 6.166 248 HD21 LEU 28 1HD2 LEU 28 43.203 -8.685 7.275 249 HD22 LEU 28 2HD2 LEU 28 42.250 -7.204 7.343 250 HD23 LEU 28 3HD2 LEU 28 43.733 -7.341 8.286 251 H ALA 29 H ALA 29 45.083 -2.809 5.721 252 HA ALA 29 HA ALA 29 47.759 -3.507 5.343 253 HB1 ALA 29 1HB ALA 29 48.101 -1.149 4.703 254 HB2 ALA 29 2HB ALA 29 46.531 -0.740 5.395 255 HB3 ALA 29 3HB ALA 29 46.626 -1.804 3.992 256 H ALA 30 H ALA 30 46.268 -1.493 7.859 257 HA ALA 30 HA ALA 30 48.688 -0.754 9.144 258 HB1 ALA 30 1HB ALA 30 46.040 -1.085 10.546 259 HB2 ALA 30 2HB ALA 30 46.348 0.261 9.448 260 HB3 ALA 30 3HB ALA 30 47.333 0.063 10.897 261 H SER 31 H SER 31 46.465 -3.479 9.568 262 HA SER 31 HA SER 31 47.531 -4.565 11.911 263 HB2 SER 31 1HB SER 31 46.398 -6.086 9.550 264 HB3 SER 31 2HB SER 31 46.532 -6.670 11.206 265 HG SER 31 HG SER 31 45.166 -4.884 11.797 266 H ALA 32 H ALA 32 48.585 -4.912 8.545 267 HA ALA 32 HA ALA 32 50.457 -6.978 8.939 268 HB1 ALA 32 1HB ALA 32 51.483 -6.161 6.838 269 HB2 ALA 32 2HB ALA 32 50.478 -4.715 6.928 270 HB3 ALA 32 3HB ALA 32 49.729 -6.296 6.709 271 H LEU 33 H LEU 33 50.823 -3.437 9.093 272 HA LEU 33 HA LEU 33 53.616 -3.391 9.429 273 HB2 LEU 33 1HB LEU 33 52.208 -1.409 8.885 274 HB3 LEU 33 2HB LEU 33 51.601 -1.425 10.541 275 HG LEU 33 HG LEU 33 54.010 -1.271 11.318 276 HD11 LEU 33 1HD1 LEU 33 55.320 -1.944 9.499 277 HD12 LEU 33 2HD1 LEU 33 55.465 -0.189 9.422 278 HD13 LEU 33 3HD1 LEU 33 54.355 -1.030 8.340 279 HD21 LEU 33 1HD2 LEU 33 52.675 0.895 9.692 280 HD22 LEU 33 2HD2 LEU 33 54.198 1.191 10.532 281 HD23 LEU 33 3HD2 LEU 33 52.761 0.736 11.447 282 H TRP 34 H TRP 34 50.983 -3.611 11.789 283 HA TRP 34 HA TRP 34 52.593 -3.396 14.106 284 HB2 TRP 34 1HB TRP 34 49.906 -4.686 13.651 285 HB3 TRP 34 2HB TRP 34 50.645 -4.521 15.232 286 HD1 TRP 34 HD1 TRP 34 48.487 -2.760 12.811 287 HE1 TRP 34 HE1 TRP 34 48.050 -0.341 13.582 288 HE3 TRP 34 HE3 TRP 34 51.983 -2.370 16.512 289 HZ2 TRP 34 HZ2 TRP 34 49.052 1.519 15.517 290 HZ3 TRP 34 HZ3 TRP 34 52.221 -0.270 17.800 291 HH2 TRP 34 HH2 TRP 34 50.764 1.673 17.310 292 H ALA 35 H ALA 35 51.437 -6.231 12.299 293 HA ALA 35 HA ALA 35 52.380 -8.189 14.084 294 HB1 ALA 35 1HB ALA 35 51.954 -8.342 11.093 295 HB2 ALA 35 2HB ALA 35 50.765 -8.717 12.341 296 HB3 ALA 35 3HB ALA 35 52.195 -9.732 12.151 297 H ALA 36 H ALA 36 53.937 -6.599 11.330 298 HA ALA 36 HA ALA 36 56.237 -8.197 11.178 299 HB1 ALA 36 1HB ALA 36 55.365 -6.215 9.669 300 HB2 ALA 36 2HB ALA 36 57.088 -6.579 9.760 301 HB3 ALA 36 3HB ALA 36 56.418 -5.249 10.703 302 H ALA 37 H ALA 37 55.491 -5.393 13.205 303 HA ALA 37 HA ALA 37 58.064 -5.086 14.350 304 HB1 ALA 37 1HB ALA 37 55.903 -3.572 14.459 305 HB2 ALA 37 2HB ALA 37 57.076 -3.553 15.774 306 HB3 ALA 37 3HB ALA 37 55.593 -4.494 15.930 307 H TRP 38 H TRP 38 55.234 -7.004 15.295 308 HA TRP 38 HA TRP 38 56.738 -8.172 17.525 309 HB2 TRP 38 1HB TRP 38 53.853 -8.455 16.703 310 HB3 TRP 38 2HB TRP 38 54.574 -9.230 18.100 311 HD1 TRP 38 HD1 TRP 38 52.887 -6.129 17.009 312 HE1 TRP 38 HE1 TRP 38 52.929 -4.370 18.891 313 HE3 TRP 38 HE3 TRP 38 56.274 -8.291 20.159 314 HZ2 TRP 38 HZ2 TRP 38 54.230 -3.935 21.406 315 HZ3 TRP 38 HZ3 TRP 38 56.897 -7.187 22.285 316 HH2 TRP 38 HH2 TRP 38 55.882 -5.016 22.914 317 H HIS 39 H HIS 39 57.021 -8.846 14.461 318 HA HIS 39 HA HIS 39 56.330 -11.683 14.492 319 HB2 HIS 39 1HB HIS 39 55.942 -10.397 12.449 320 HB3 HIS 39 2HB HIS 39 57.637 -9.958 12.383 321 HD1 HIS 39 HD1 HIS 39 59.298 -12.186 12.205 322 HD2 HIS 39 HD2 HIS 39 55.344 -12.625 10.960 323 HE1 HIS 39 HE1 HIS 39 59.236 -14.245 10.734 324 H GLY 40 H GLY 40 57.745 -13.320 14.758 325 HA2 GLY 40 1HA GLY 40 60.577 -13.033 14.421 326 HA3 GLY 40 2HA GLY 40 60.119 -13.061 16.121 327 H GLN 41 H GLN 41 59.825 -14.978 17.080 328 HA GLN 41 HA GLN 41 60.603 -17.367 15.841 329 HB2 GLN 41 1HB GLN 41 58.992 -16.915 18.362 330 HB3 GLN 41 2HB GLN 41 59.683 -18.466 17.883 331 HG2 GLN 41 1HG GLN 41 61.933 -17.512 17.911 332 HG3 GLN 41 2HG GLN 41 61.279 -15.923 18.295 333 HE21 GLN 41 1HE2 GLN 41 63.166 -17.215 20.017 334 HE22 GLN 41 2HE2 GLN 41 62.381 -17.603 21.472 335 H LYS 42 H LYS 42 57.392 -15.960 16.303 336 HA LYS 42 HA LYS 42 55.861 -18.242 15.740 337 HB2 LYS 42 1HB LYS 42 54.055 -16.648 15.161 338 HB3 LYS 42 2HB LYS 42 54.866 -16.216 16.667 339 HG2 LYS 42 1HG LYS 42 56.342 -14.666 15.296 340 HG3 LYS 42 2HG LYS 42 55.251 -14.958 13.941 341 HD2 LYS 42 1HD LYS 42 54.361 -13.918 16.645 342 HD3 LYS 42 2HD LYS 42 54.673 -12.895 15.243 343 HE2 LYS 42 1HE LYS 42 53.003 -14.434 14.000 344 HE3 LYS 42 2HE LYS 42 52.513 -14.968 15.607 345 HZ1 LYS 42 1HZ LYS 42 51.223 -13.060 14.672 346 HZ2 LYS 42 2HZ LYS 42 52.628 -12.115 14.811 347 HZ3 LYS 42 3HZ LYS 42 51.906 -12.778 16.198 348 HA PRO 43 HA PRO 43 56.543 -18.507 11.354 349 HB2 PRO 43 1HB PRO 43 54.670 -20.305 10.644 350 HB3 PRO 43 2HB PRO 43 56.018 -20.747 11.711 351 HG2 PRO 43 1HG PRO 43 53.178 -20.265 12.362 352 HG3 PRO 43 2HG PRO 43 54.350 -21.348 13.129 353 HD2 PRO 43 1HD PRO 43 53.574 -18.780 14.052 354 HD3 PRO 43 2HD PRO 43 54.907 -19.776 14.672 355 H GLY 44 H GLY 44 55.974 -16.367 10.673 356 HA2 GLY 44 1HA GLY 44 54.845 -15.066 9.101 357 HA3 GLY 44 2HA GLY 44 53.571 -16.280 9.048 358 H THR 45 H THR 45 52.086 -14.463 9.098 359 HA THR 45 HA THR 45 51.719 -13.340 11.820 360 HB THR 45 HB THR 45 50.665 -11.405 10.775 361 HG1 THR 45 HG1 THR 45 51.097 -12.942 8.461 362 HG21 THR 45 1HG2 THR 45 53.216 -11.613 11.034 363 HG22 THR 45 2HG2 THR 45 52.624 -10.372 9.930 364 HG23 THR 45 3HG2 THR 45 53.248 -11.893 9.293 365 H HIS 46 H HIS 46 49.455 -12.883 12.385 366 HA HIS 46 HA HIS 46 47.815 -15.135 12.132 367 HB2 HIS 46 1HB HIS 46 47.059 -12.292 12.815 368 HB3 HIS 46 2HB HIS 46 46.027 -13.688 13.057 369 HD1 HIS 46 HD1 HIS 46 49.005 -11.916 14.450 370 HD2 HIS 46 HD2 HIS 46 46.799 -15.360 15.254 371 HE1 HIS 46 HE1 HIS 46 49.735 -12.713 16.738 Start of MODEL 15 1 H ARG 1 3H ARG 1 20.627 19.225 -17.612 2 HA ARG 1 HA ARG 1 21.809 17.424 -17.042 3 HB2 ARG 1 1HB ARG 1 22.251 19.209 -14.629 4 HB3 ARG 1 2HB ARG 1 23.311 17.885 -15.116 5 HG2 ARG 1 1HG ARG 1 23.643 19.005 -17.318 6 HG3 ARG 1 2HG ARG 1 22.674 20.363 -16.744 7 HD2 ARG 1 1HD ARG 1 24.287 20.596 -14.820 8 HD3 ARG 1 2HD ARG 1 25.302 19.387 -15.601 9 HE ARG 1 HE ARG 1 24.608 21.591 -17.331 10 HH11 ARG 1 1HH1 ARG 1 26.899 20.508 -14.900 11 HH12 ARG 1 2HH1 ARG 1 28.136 21.595 -15.439 12 HH21 ARG 1 1HH2 ARG 1 26.240 22.967 -17.979 13 HH22 ARG 1 2HH2 ARG 1 27.766 22.969 -17.160 14 H SER 2 H SER 2 22.379 15.801 -15.232 15 HA SER 2 HA SER 2 20.067 14.443 -14.452 16 HB2 SER 2 1HB SER 2 22.818 14.235 -13.211 17 HB3 SER 2 2HB SER 2 21.537 13.031 -13.119 18 HG SER 2 HG SER 2 23.160 12.715 -14.808 19 H LEU 3 H LEU 3 21.881 16.935 -12.756 20 HA LEU 3 HA LEU 3 21.026 16.494 -10.137 21 HB2 LEU 3 1HB LEU 3 22.748 18.155 -10.834 22 HB3 LEU 3 2HB LEU 3 21.458 19.180 -11.464 23 HG LEU 3 HG LEU 3 20.416 19.102 -9.147 24 HD11 LEU 3 1HD1 LEU 3 23.040 17.704 -8.637 25 HD12 LEU 3 2HD1 LEU 3 21.422 17.231 -8.118 26 HD13 LEU 3 3HD1 LEU 3 22.226 18.602 -7.355 27 HD21 LEU 3 1HD2 LEU 3 23.156 20.316 -9.588 28 HD22 LEU 3 2HD2 LEU 3 22.149 20.698 -8.191 29 HD23 LEU 3 3HD2 LEU 3 21.588 21.092 -9.815 30 H LEU 4 H LEU 4 19.412 18.185 -12.800 31 HA LEU 4 HA LEU 4 17.263 19.247 -11.310 32 HB2 LEU 4 1HB LEU 4 17.565 18.511 -14.218 33 HB3 LEU 4 2HB LEU 4 16.075 19.199 -13.575 34 HG LEU 4 HG LEU 4 17.614 21.033 -12.565 35 HD11 LEU 4 1HD1 LEU 4 19.590 21.344 -14.273 36 HD12 LEU 4 2HD1 LEU 4 19.422 19.602 -14.491 37 HD13 LEU 4 3HD1 LEU 4 19.792 20.260 -12.898 38 HD21 LEU 4 1HD2 LEU 4 17.338 20.922 -15.581 39 HD22 LEU 4 2HD2 LEU 4 17.371 22.363 -14.565 40 HD23 LEU 4 3HD2 LEU 4 15.992 21.266 -14.495 41 H GLU 5 H GLU 5 17.734 16.099 -12.851 42 HA GLU 5 HA GLU 5 15.111 15.122 -12.621 43 HB2 GLU 5 1HB GLU 5 16.955 14.046 -13.920 44 HB3 GLU 5 2HB GLU 5 17.662 13.515 -12.394 45 HG2 GLU 5 1HG GLU 5 15.533 12.344 -11.851 46 HG3 GLU 5 2HG GLU 5 14.901 12.812 -13.424 47 H GLY 6 H GLY 6 17.748 15.256 -10.274 48 HA2 GLY 6 1HA GLY 6 17.597 15.182 -7.953 49 HA3 GLY 6 2HA GLY 6 15.878 14.829 -8.105 50 H GLU 7 H GLU 7 18.536 13.049 -9.618 51 HA GLU 7 HA GLU 7 17.560 10.512 -8.955 52 HB2 GLU 7 1HB GLU 7 20.403 11.375 -9.540 53 HB3 GLU 7 2HB GLU 7 19.834 9.705 -9.531 54 HG2 GLU 7 1HG GLU 7 18.174 10.293 -11.290 55 HG3 GLU 7 2HG GLU 7 18.832 11.923 -11.337 56 H ILE 8 H ILE 8 18.025 9.056 -7.327 57 HA ILE 8 HA ILE 8 18.683 10.175 -4.769 58 HB ILE 8 HB ILE 8 18.414 7.851 -3.956 59 HG12 ILE 8 1HG1 ILE 8 17.925 7.167 -6.871 60 HG13 ILE 8 2HG1 ILE 8 19.418 6.789 -6.011 61 HG21 ILE 8 1HG2 ILE 8 16.275 8.609 -5.966 62 HG22 ILE 8 2HG2 ILE 8 16.450 9.363 -4.382 63 HG23 ILE 8 3HG2 ILE 8 16.061 7.647 -4.503 64 HD11 ILE 8 1HD1 ILE 8 17.871 5.646 -4.267 65 HD12 ILE 8 2HD1 ILE 8 18.154 4.812 -5.795 66 HD13 ILE 8 3HD1 ILE 8 16.649 5.697 -5.538 67 HA PRO 9 HA PRO 9 23.020 9.298 -4.901 68 HB2 PRO 9 1HB PRO 9 23.678 9.119 -2.280 69 HB3 PRO 9 2HB PRO 9 23.184 10.652 -3.027 70 HG2 PRO 9 1HG PRO 9 21.640 8.814 -1.287 71 HG3 PRO 9 2HG PRO 9 21.615 10.584 -1.372 72 HD2 PRO 9 1HD PRO 9 19.721 8.915 -2.546 73 HD3 PRO 9 2HD PRO 9 20.019 10.604 -3.008 74 H PHE 10 H PHE 10 22.443 7.152 -5.889 75 HA PHE 10 HA PHE 10 22.810 4.902 -6.097 76 HB2 PHE 10 1HB PHE 10 24.595 5.455 -3.728 77 HB3 PHE 10 2HB PHE 10 24.555 3.929 -4.589 78 HD1 PHE 10 HD1 PHE 10 25.342 3.806 -6.950 79 HD2 PHE 10 HD2 PHE 10 25.704 7.387 -4.607 80 HE1 PHE 10 HE1 PHE 10 26.994 4.699 -8.570 81 HE2 PHE 10 HE2 PHE 10 27.355 8.281 -6.226 82 HZ PHE 10 HZ PHE 10 28.001 6.937 -8.208 83 HA PRO 11 HA PRO 11 20.056 2.805 -3.358 84 HB2 PRO 11 1HB PRO 11 21.519 0.266 -3.382 85 HB3 PRO 11 2HB PRO 11 19.974 0.680 -4.143 86 HG2 PRO 11 1HG PRO 11 22.247 0.206 -5.528 87 HG3 PRO 11 2HG PRO 11 20.945 1.261 -6.104 88 HD2 PRO 11 1HD PRO 11 23.579 2.019 -4.892 89 HD3 PRO 11 2HD PRO 11 22.666 2.810 -6.197 90 HA PRO 12 HA PRO 12 21.663 3.146 0.729 91 HB2 PRO 12 1HB PRO 12 20.122 1.315 2.140 92 HB3 PRO 12 2HB PRO 12 19.609 2.956 1.707 93 HG2 PRO 12 1HG PRO 12 18.970 0.371 0.394 94 HG3 PRO 12 2HG PRO 12 17.944 1.792 0.660 95 HD2 PRO 12 1HD PRO 12 19.033 1.269 -1.758 96 HD3 PRO 12 2HD PRO 12 18.798 2.933 -1.177 97 H THR 13 H THR 13 20.826 -0.325 0.482 98 HA THR 13 HA THR 13 22.987 -1.216 2.031 99 HB THR 13 HB THR 13 22.466 -3.445 1.163 100 HG1 THR 13 HG1 THR 13 21.113 -3.684 -0.546 101 HG21 THR 13 1HG2 THR 13 20.095 -3.498 1.808 102 HG22 THR 13 2HG2 THR 13 19.995 -1.748 1.611 103 HG23 THR 13 3HG2 THR 13 21.006 -2.436 2.883 104 H SER 14 H SER 14 23.127 -0.001 -1.154 105 HA SER 14 HA SER 14 25.157 -1.853 -2.125 106 HB2 SER 14 1HB SER 14 24.020 0.680 -3.338 107 HB3 SER 14 2HB SER 14 25.159 -0.401 -4.134 108 HG SER 14 HG SER 14 23.366 -1.348 -4.749 109 H ILE 15 H ILE 15 24.880 1.576 -1.294 110 HA ILE 15 HA ILE 15 27.686 2.086 -1.370 111 HB ILE 15 HB ILE 15 27.152 4.176 -0.216 112 HG12 ILE 15 1HG1 ILE 15 24.294 3.170 -0.082 113 HG13 ILE 15 2HG1 ILE 15 25.391 3.141 1.296 114 HG21 ILE 15 1HG2 ILE 15 26.650 3.705 -2.705 115 HG22 ILE 15 2HG2 ILE 15 25.890 5.122 -1.979 116 HG23 ILE 15 3HG2 ILE 15 24.957 3.645 -2.216 117 HD11 ILE 15 1HD1 ILE 15 25.377 5.428 1.545 118 HD12 ILE 15 2HD1 ILE 15 23.765 5.206 0.869 119 HD13 ILE 15 3HD1 ILE 15 25.089 5.731 -0.167 120 H LEU 16 H LEU 16 25.467 0.880 1.099 121 HA LEU 16 HA LEU 16 27.235 1.046 3.312 122 HB2 LEU 16 1HB LEU 16 24.803 0.497 3.470 123 HB3 LEU 16 2HB LEU 16 25.151 -1.084 2.770 124 HG LEU 16 HG LEU 16 26.826 -1.415 4.660 125 HD11 LEU 16 1HD1 LEU 16 26.161 0.037 6.706 126 HD12 LEU 16 2HD1 LEU 16 25.486 1.147 5.515 127 HD13 LEU 16 3HD1 LEU 16 27.207 0.761 5.485 128 HD21 LEU 16 1HD2 LEU 16 24.604 -2.483 4.658 129 HD22 LEU 16 2HD2 LEU 16 23.902 -1.035 5.380 130 HD23 LEU 16 3HD2 LEU 16 25.060 -2.003 6.292 131 H LEU 17 H LEU 17 26.815 -1.360 0.749 132 HA LEU 17 HA LEU 17 28.483 -3.356 1.901 133 HB2 LEU 17 1HB LEU 17 26.821 -3.775 0.089 134 HB3 LEU 17 2HB LEU 17 27.867 -2.899 -1.030 135 HG LEU 17 HG LEU 17 29.717 -4.524 -0.386 136 HD11 LEU 17 1HD1 LEU 17 28.947 -5.458 1.651 137 HD12 LEU 17 2HD1 LEU 17 28.727 -6.750 0.473 138 HD13 LEU 17 3HD1 LEU 17 27.345 -5.786 0.992 139 HD21 LEU 17 1HD2 LEU 17 28.681 -4.835 -2.510 140 HD22 LEU 17 2HD2 LEU 17 27.187 -5.420 -1.779 141 HD23 LEU 17 3HD2 LEU 17 28.638 -6.422 -1.741 142 H LEU 18 H LEU 18 29.069 -0.803 -0.480 143 HA LEU 18 HA LEU 18 31.771 -1.396 -1.011 144 HB2 LEU 18 1HB LEU 18 30.364 0.161 -2.359 145 HB3 LEU 18 2HB LEU 18 30.445 1.327 -1.038 146 HG LEU 18 HG LEU 18 32.976 1.183 -1.215 147 HD11 LEU 18 1HD1 LEU 18 33.276 -0.871 -2.398 148 HD12 LEU 18 2HD1 LEU 18 33.742 0.401 -3.526 149 HD13 LEU 18 3HD1 LEU 18 32.167 -0.377 -3.677 150 HD21 LEU 18 1HD2 LEU 18 33.061 2.677 -3.179 151 HD22 LEU 18 2HD2 LEU 18 31.672 3.061 -2.162 152 HD23 LEU 18 3HD2 LEU 18 31.447 2.149 -3.655 153 H LEU 19 H LEU 19 30.235 0.682 1.423 154 HA LEU 19 HA LEU 19 32.562 1.788 2.537 155 HB2 LEU 19 1HB LEU 19 30.237 2.531 3.042 156 HB3 LEU 19 2HB LEU 19 30.004 1.061 3.986 157 HG LEU 19 HG LEU 19 32.047 1.754 5.343 158 HD11 LEU 19 1HD1 LEU 19 32.345 4.335 5.231 159 HD12 LEU 19 2HD1 LEU 19 31.633 4.194 3.624 160 HD13 LEU 19 3HD1 LEU 19 33.136 3.352 4.000 161 HD21 LEU 19 1HD2 LEU 19 30.751 3.442 6.652 162 HD22 LEU 19 2HD2 LEU 19 29.783 2.032 6.221 163 HD23 LEU 19 3HD2 LEU 19 29.593 3.539 5.325 164 H ALA 20 H ALA 20 30.923 -1.293 3.143 165 HA ALA 20 HA ALA 20 32.350 -1.951 5.507 166 HB1 ALA 20 1HB ALA 20 30.361 -3.163 5.155 167 HB2 ALA 20 2HB ALA 20 31.637 -4.340 4.843 168 HB3 ALA 20 3HB ALA 20 30.798 -3.571 3.497 169 H CYS 21 H CYS 21 32.803 -2.986 2.123 170 HA CYS 21 HA CYS 21 34.973 -4.712 2.714 171 HB2 CYS 21 1HB CYS 21 35.395 -4.637 0.245 172 HB3 CYS 21 2HB CYS 21 33.740 -5.056 0.682 173 HG CYS 21 HG CYS 21 33.456 -3.210 -1.075 174 H ILE 22 H ILE 22 34.890 -1.370 1.458 175 HA ILE 22 HA ILE 22 37.674 -1.218 0.998 176 HB ILE 22 HB ILE 22 37.345 1.209 0.853 177 HG12 ILE 22 1HG1 ILE 22 34.691 1.754 1.069 178 HG13 ILE 22 2HG1 ILE 22 34.826 0.512 2.307 179 HG21 ILE 22 1HG2 ILE 22 36.808 -0.134 -1.081 180 HG22 ILE 22 2HG2 ILE 22 35.582 1.126 -0.934 181 HG23 ILE 22 3HG2 ILE 22 35.217 -0.523 -0.428 182 HD11 ILE 22 1HD1 ILE 22 35.365 2.332 3.594 183 HD12 ILE 22 2HD1 ILE 22 35.987 3.250 2.223 184 HD13 ILE 22 3HD1 ILE 22 36.978 1.997 2.966 185 H PHE 23 H PHE 23 35.697 -0.382 3.840 186 HA PHE 23 HA PHE 23 37.698 0.947 5.294 187 HB2 PHE 23 1HB PHE 23 35.288 0.924 5.883 188 HB3 PHE 23 2HB PHE 23 35.442 -0.758 6.356 189 HD1 PHE 23 HD1 PHE 23 36.608 -1.386 8.412 190 HD2 PHE 23 HD2 PHE 23 36.227 2.726 7.230 191 HE1 PHE 23 HE1 PHE 23 37.283 -0.670 10.688 192 HE2 PHE 23 HE2 PHE 23 36.901 3.443 9.506 193 HZ PHE 23 HZ PHE 23 37.429 1.745 11.235 194 H LEU 24 H LEU 24 36.752 -2.480 5.231 195 HA LEU 24 HA LEU 24 38.457 -3.352 7.288 196 HB2 LEU 24 1HB LEU 24 37.456 -4.851 4.854 197 HB3 LEU 24 2HB LEU 24 38.209 -5.601 6.263 198 HG LEU 24 HG LEU 24 35.735 -3.859 6.414 199 HD11 LEU 24 1HD1 LEU 24 34.615 -6.121 6.853 200 HD12 LEU 24 2HD1 LEU 24 36.069 -6.856 6.177 201 HD13 LEU 24 3HD1 LEU 24 35.074 -5.793 5.183 202 HD21 LEU 24 1HD2 LEU 24 37.290 -5.573 8.351 203 HD22 LEU 24 2HD2 LEU 24 35.591 -5.196 8.633 204 HD23 LEU 24 3HD2 LEU 24 36.778 -3.895 8.536 205 H ILE 25 H ILE 25 39.005 -3.060 3.797 206 HA ILE 25 HA ILE 25 41.510 -4.366 3.752 207 HB ILE 25 HB ILE 25 40.447 -2.224 1.890 208 HG12 ILE 25 1HG1 ILE 25 40.404 -5.239 1.598 209 HG13 ILE 25 2HG1 ILE 25 39.038 -4.310 2.214 210 HG21 ILE 25 1HG2 ILE 25 42.923 -2.658 1.737 211 HG22 ILE 25 2HG2 ILE 25 42.040 -3.098 0.275 212 HG23 ILE 25 3HG2 ILE 25 42.557 -4.351 1.404 213 HD11 ILE 25 1HD1 ILE 25 38.708 -4.653 -0.164 214 HD12 ILE 25 2HD1 ILE 25 40.327 -4.047 -0.516 215 HD13 ILE 25 3HD1 ILE 25 39.090 -2.951 0.100 216 H LYS 26 H LYS 26 40.676 -0.920 4.081 217 HA LYS 26 HA LYS 26 43.304 0.068 3.886 218 HB2 LYS 26 1HB LYS 26 40.897 1.218 5.308 219 HB3 LYS 26 2HB LYS 26 42.397 2.097 5.013 220 HG2 LYS 26 1HG LYS 26 42.107 1.598 2.556 221 HG3 LYS 26 2HG LYS 26 40.507 0.967 2.935 222 HD2 LYS 26 1HD LYS 26 41.441 3.767 3.623 223 HD3 LYS 26 2HD LYS 26 40.464 3.362 2.211 224 HE2 LYS 26 1HE LYS 26 38.867 2.232 3.937 225 HE3 LYS 26 2HE LYS 26 39.712 3.229 5.121 226 HZ1 LYS 26 1HZ LYS 26 39.106 5.189 3.951 227 HZ2 LYS 26 2HZ LYS 26 37.692 4.268 4.152 228 HZ3 LYS 26 3HZ LYS 26 38.479 4.302 2.646 229 H ILE 27 H ILE 27 41.425 -0.973 6.707 230 HA ILE 27 HA ILE 27 43.348 -0.129 8.627 231 HB ILE 27 HB ILE 27 41.246 -2.288 8.890 232 HG12 ILE 27 1HG1 ILE 27 40.242 -0.167 8.202 233 HG13 ILE 27 2HG1 ILE 27 39.861 -0.494 9.886 234 HG21 ILE 27 1HG2 ILE 27 42.676 -2.521 10.747 235 HG22 ILE 27 2HG2 ILE 27 41.392 -1.469 11.340 236 HG23 ILE 27 3HG2 ILE 27 42.948 -0.783 10.870 237 HD11 ILE 27 1HD1 ILE 27 40.610 1.589 10.317 238 HD12 ILE 27 2HD1 ILE 27 41.323 1.740 8.714 239 HD13 ILE 27 3HD1 ILE 27 42.238 0.985 10.014 240 H LEU 28 H LEU 28 42.750 -3.297 7.102 241 HA LEU 28 HA LEU 28 44.597 -4.734 8.671 242 HB2 LEU 28 1HB LEU 28 43.586 -5.277 5.872 243 HB3 LEU 28 2HB LEU 28 44.465 -6.436 6.869 244 HG LEU 28 HG LEU 28 41.879 -5.110 7.726 245 HD11 LEU 28 1HD1 LEU 28 42.410 -7.791 6.416 246 HD12 LEU 28 2HD1 LEU 28 41.363 -6.500 5.826 247 HD13 LEU 28 3HD1 LEU 28 40.914 -7.409 7.268 248 HD21 LEU 28 1HD2 LEU 28 41.957 -7.204 9.264 249 HD22 LEU 28 2HD2 LEU 28 43.021 -5.853 9.655 250 HD23 LEU 28 3HD2 LEU 28 43.666 -7.274 8.833 251 H ALA 29 H ALA 29 44.981 -3.045 5.575 252 HA ALA 29 HA ALA 29 47.595 -4.028 5.046 253 HB1 ALA 29 1HB ALA 29 47.664 -1.952 3.515 254 HB2 ALA 29 2HB ALA 29 45.991 -1.701 4.014 255 HB3 ALA 29 3HB ALA 29 46.449 -3.185 3.178 256 H ALA 30 H ALA 30 46.510 -0.832 6.220 257 HA ALA 30 HA ALA 30 48.368 -0.494 8.246 258 HB1 ALA 30 1HB ALA 30 50.235 -0.539 6.802 259 HB2 ALA 30 2HB ALA 30 49.924 1.180 7.045 260 HB3 ALA 30 3HB ALA 30 49.403 0.393 5.556 261 H SER 31 H SER 31 46.470 0.491 9.060 262 HA SER 31 HA SER 31 44.991 2.504 7.811 263 HB2 SER 31 1HB SER 31 44.093 2.998 10.000 264 HB3 SER 31 2HB SER 31 44.319 1.257 9.871 265 HG SER 31 HG SER 31 45.587 1.432 11.533 266 H ALA 32 H ALA 32 47.935 2.724 9.763 267 HA ALA 32 HA ALA 32 47.867 5.510 10.211 268 HB1 ALA 32 1HB ALA 32 49.324 3.913 11.440 269 HB2 ALA 32 2HB ALA 32 50.213 5.295 10.799 270 HB3 ALA 32 3HB ALA 32 50.305 3.732 9.986 271 H LEU 33 H LEU 33 49.766 3.661 7.801 272 HA LEU 33 HA LEU 33 50.915 5.918 6.580 273 HB2 LEU 33 1HB LEU 33 50.336 3.211 5.353 274 HB3 LEU 33 2HB LEU 33 51.477 4.405 4.736 275 HG LEU 33 HG LEU 33 51.646 3.123 7.480 276 HD11 LEU 33 1HD1 LEU 33 53.567 1.889 6.531 277 HD12 LEU 33 2HD1 LEU 33 53.244 2.606 4.952 278 HD13 LEU 33 3HD1 LEU 33 52.077 1.498 5.674 279 HD21 LEU 33 1HD2 LEU 33 52.742 5.215 7.605 280 HD22 LEU 33 2HD2 LEU 33 53.335 5.102 5.949 281 HD23 LEU 33 3HD2 LEU 33 54.042 4.091 7.209 282 H TRP 34 H TRP 34 47.887 4.216 5.932 283 HA TRP 34 HA TRP 34 47.341 5.413 3.430 284 HB2 TRP 34 1HB TRP 34 46.259 3.363 4.518 285 HB3 TRP 34 2HB TRP 34 45.259 4.502 5.399 286 HD1 TRP 34 HD1 TRP 34 43.272 5.598 4.141 287 HE1 TRP 34 HE1 TRP 34 42.251 5.267 1.798 288 HE3 TRP 34 HE3 TRP 34 46.945 2.797 1.966 289 HZ2 TRP 34 HZ2 TRP 34 42.907 3.984 -0.678 290 HZ3 TRP 34 HZ3 TRP 34 46.724 2.036 -0.378 291 HH2 TRP 34 HH2 TRP 34 44.714 2.623 -1.704 292 H ALA 35 H ALA 35 46.282 6.259 6.724 293 HA ALA 35 HA ALA 35 44.627 8.418 5.963 294 HB1 ALA 35 1HB ALA 35 44.291 7.519 8.126 295 HB2 ALA 35 2HB ALA 35 44.973 9.125 8.394 296 HB3 ALA 35 3HB ALA 35 45.994 7.695 8.550 297 H ALA 36 H ALA 36 48.051 8.272 6.863 298 HA ALA 36 HA ALA 36 48.520 11.028 7.094 299 HB1 ALA 36 1HB ALA 36 50.503 8.999 6.059 300 HB2 ALA 36 2HB ALA 36 50.079 9.152 7.763 301 HB3 ALA 36 3HB ALA 36 50.846 10.498 6.921 302 H ALA 37 H ALA 37 48.471 8.921 4.259 303 HA ALA 37 HA ALA 37 49.648 10.714 2.423 304 HB1 ALA 37 1HB ALA 37 48.717 9.308 0.699 305 HB2 ALA 37 2HB ALA 37 47.532 8.638 1.822 306 HB3 ALA 37 3HB ALA 37 49.245 8.272 2.026 307 H TRP 38 H TRP 38 46.290 10.253 3.450 308 HA TRP 38 HA TRP 38 45.072 11.965 1.578 309 HB2 TRP 38 1HB TRP 38 44.295 11.117 4.357 310 HB3 TRP 38 2HB TRP 38 43.288 12.175 3.388 311 HD1 TRP 38 HD1 TRP 38 43.927 8.630 4.100 312 HE1 TRP 38 HE1 TRP 38 42.701 7.124 2.407 313 HE3 TRP 38 HE3 TRP 38 42.639 12.110 0.591 314 HZ2 TRP 38 HZ2 TRP 38 41.353 7.360 -0.109 315 HZ3 TRP 38 HZ3 TRP 38 41.390 11.444 -1.439 316 HH2 TRP 38 HH2 TRP 38 40.745 9.078 -1.795 317 H HIS 39 H HIS 39 46.678 12.649 4.643 318 HA HIS 39 HA HIS 39 45.850 15.470 4.468 319 HB2 HIS 39 1HB HIS 39 47.165 13.932 6.708 320 HB3 HIS 39 2HB HIS 39 46.720 15.627 6.773 321 HD1 HIS 39 HD1 HIS 39 43.996 16.014 6.292 322 HD2 HIS 39 HD2 HIS 39 45.208 12.275 7.682 323 HE1 HIS 39 HE1 HIS 39 41.931 14.900 7.239 324 H GLY 40 H GLY 40 47.271 17.107 4.203 325 HA2 GLY 40 1HA GLY 40 50.066 16.962 4.600 326 HA3 GLY 40 2HA GLY 40 49.709 16.708 2.894 327 H GLN 41 H GLN 41 50.470 19.015 5.117 328 HA GLN 41 HA GLN 41 49.053 21.171 3.658 329 HB2 GLN 41 1HB GLN 41 50.196 21.127 6.461 330 HB3 GLN 41 2HB GLN 41 49.489 22.544 5.684 331 HG2 GLN 41 1HG GLN 41 47.350 21.387 5.445 332 HG3 GLN 41 2HG GLN 41 48.041 19.920 6.130 333 HE21 GLN 41 1HE2 GLN 41 45.782 21.216 7.326 334 HE22 GLN 41 2HE2 GLN 41 46.260 21.831 8.834 335 H LYS 42 H LYS 42 50.220 23.031 3.065 336 HA LYS 42 HA LYS 42 52.865 22.546 2.147 337 HB2 LYS 42 1HB LYS 42 51.318 25.139 2.378 338 HB3 LYS 42 2HB LYS 42 52.823 24.932 1.481 339 HG2 LYS 42 1HG LYS 42 51.823 23.545 -0.128 340 HG3 LYS 42 2HG LYS 42 50.466 23.143 0.924 341 HD2 LYS 42 1HD LYS 42 49.406 25.199 0.569 342 HD3 LYS 42 2HD LYS 42 50.899 25.990 0.060 343 HE2 LYS 42 1HE LYS 42 49.708 23.727 -1.539 344 HE3 LYS 42 2HE LYS 42 49.186 25.394 -1.781 345 HZ1 LYS 42 1HZ LYS 42 51.479 26.016 -2.209 346 HZ2 LYS 42 2HZ LYS 42 50.979 24.799 -3.286 347 HZ3 LYS 42 3HZ LYS 42 51.983 24.413 -1.971 348 HA PRO 43 HA PRO 43 55.019 23.983 5.760 349 HB2 PRO 43 1HB PRO 43 57.509 24.360 4.796 350 HB3 PRO 43 2HB PRO 43 56.782 22.743 4.893 351 HG2 PRO 43 1HG PRO 43 57.203 24.483 2.542 352 HG3 PRO 43 2HG PRO 43 57.217 22.716 2.664 353 HD2 PRO 43 1HD PRO 43 55.074 24.299 1.734 354 HD3 PRO 43 2HD PRO 43 55.006 22.573 2.149 355 H GLY 44 H GLY 44 54.364 25.956 6.510 356 HA2 GLY 44 1HA GLY 44 54.350 28.383 5.137 357 HA3 GLY 44 2HA GLY 44 54.380 28.227 6.890 358 H THR 45 H THR 45 56.897 26.902 7.101 359 HA THR 45 HA THR 45 58.773 28.979 6.126 360 HB THR 45 HB THR 45 59.984 28.808 8.238 361 HG1 THR 45 HG1 THR 45 59.635 27.176 9.479 362 HG21 THR 45 1HG2 THR 45 58.459 30.017 9.599 363 HG22 THR 45 2HG2 THR 45 57.065 29.184 8.911 364 HG23 THR 45 3HG2 THR 45 57.959 30.354 7.942 365 H HIS 46 H HIS 46 61.026 28.243 6.023 366 HA HIS 46 HA HIS 46 61.168 25.405 5.216 367 HB2 HIS 46 1HB HIS 46 62.896 27.770 4.481 368 HB3 HIS 46 2HB HIS 46 63.200 26.119 3.973 369 HD1 HIS 46 HD1 HIS 46 60.988 29.065 3.342 370 HD2 HIS 46 HD2 HIS 46 61.423 25.163 1.940 371 HE1 HIS 46 HE1 HIS 46 59.580 28.897 1.245 Start of MODEL 16 1 H ARG 1 3H ARG 1 12.747 -4.671 -11.741 2 HA ARG 1 HA ARG 1 12.994 -2.554 -13.176 3 HB2 ARG 1 1HB ARG 1 14.427 -3.733 -14.853 4 HB3 ARG 1 2HB ARG 1 13.049 -4.754 -15.264 5 HG2 ARG 1 1HG ARG 1 11.748 -2.725 -15.863 6 HG3 ARG 1 2HG ARG 1 13.166 -1.735 -15.516 7 HD2 ARG 1 1HD ARG 1 14.439 -3.033 -17.229 8 HD3 ARG 1 2HD ARG 1 12.957 -3.898 -17.627 9 HE ARG 1 HE ARG 1 12.613 -1.053 -17.766 10 HH11 ARG 1 1HH1 ARG 1 13.846 -3.799 -19.573 11 HH12 ARG 1 2HH1 ARG 1 13.627 -3.019 -21.102 12 HH21 ARG 1 1HH2 ARG 1 12.353 -0.099 -19.766 13 HH22 ARG 1 2HH2 ARG 1 12.791 -0.950 -21.210 14 H SER 2 H SER 2 11.450 -5.520 -14.443 15 HA SER 2 HA SER 2 8.888 -4.387 -14.690 16 HB2 SER 2 1HB SER 2 8.116 -6.598 -15.126 17 HB3 SER 2 2HB SER 2 9.758 -6.528 -15.756 18 HG SER 2 HG SER 2 10.459 -7.708 -14.065 19 H LEU 3 H LEU 3 7.027 -4.565 -13.419 20 HA LEU 3 HA LEU 3 7.345 -4.295 -10.635 21 HB2 LEU 3 1HB LEU 3 5.421 -3.416 -11.956 22 HB3 LEU 3 2HB LEU 3 4.827 -5.068 -12.127 23 HG LEU 3 HG LEU 3 4.858 -5.225 -9.591 24 HD11 LEU 3 1HD1 LEU 3 6.253 -3.496 -8.857 25 HD12 LEU 3 2HD1 LEU 3 4.651 -2.813 -8.579 26 HD13 LEU 3 3HD1 LEU 3 5.578 -2.334 -10.001 27 HD21 LEU 3 1HD2 LEU 3 3.083 -3.323 -11.117 28 HD22 LEU 3 2HD2 LEU 3 2.817 -3.623 -9.400 29 HD23 LEU 3 3HD2 LEU 3 2.721 -4.954 -10.553 30 H LEU 4 H LEU 4 6.517 -7.089 -12.634 31 HA LEU 4 HA LEU 4 5.674 -8.843 -10.613 32 HB2 LEU 4 1HB LEU 4 5.432 -9.239 -13.062 33 HB3 LEU 4 2HB LEU 4 7.163 -9.565 -13.145 34 HG LEU 4 HG LEU 4 6.799 -11.347 -11.368 35 HD11 LEU 4 1HD1 LEU 4 4.323 -12.178 -11.461 36 HD12 LEU 4 2HD1 LEU 4 3.963 -10.522 -11.949 37 HD13 LEU 4 3HD1 LEU 4 4.727 -10.836 -10.391 38 HD21 LEU 4 1HD2 LEU 4 7.001 -11.773 -13.853 39 HD22 LEU 4 2HD2 LEU 4 5.239 -11.768 -13.932 40 HD23 LEU 4 3HD2 LEU 4 6.076 -12.995 -12.980 41 H GLU 5 H GLU 5 8.909 -7.959 -11.701 42 HA GLU 5 HA GLU 5 10.351 -10.094 -10.589 43 HB2 GLU 5 1HB GLU 5 11.270 -8.389 -12.167 44 HB3 GLU 5 2HB GLU 5 11.284 -7.228 -10.837 45 HG2 GLU 5 1HG GLU 5 12.732 -8.782 -9.538 46 HG3 GLU 5 2HG GLU 5 12.772 -9.867 -10.920 47 H GLY 6 H GLY 6 9.181 -7.089 -9.132 48 HA2 GLY 6 1HA GLY 6 8.833 -6.591 -6.896 49 HA3 GLY 6 2HA GLY 6 9.334 -8.232 -6.499 50 H GLU 7 H GLU 7 11.010 -5.528 -8.114 51 HA GLU 7 HA GLU 7 13.549 -6.109 -7.142 52 HB2 GLU 7 1HB GLU 7 13.011 -4.512 -8.991 53 HB3 GLU 7 2HB GLU 7 12.491 -3.348 -7.773 54 HG2 GLU 7 1HG GLU 7 14.742 -3.486 -6.720 55 HG3 GLU 7 2HG GLU 7 15.253 -4.570 -8.006 56 H ILE 8 H ILE 8 14.768 -5.435 -5.424 57 HA ILE 8 HA ILE 8 13.258 -4.356 -3.126 58 HB ILE 8 HB ILE 8 15.751 -6.082 -3.223 59 HG12 ILE 8 1HG1 ILE 8 12.975 -6.773 -2.232 60 HG13 ILE 8 2HG1 ILE 8 13.543 -7.154 -3.858 61 HG21 ILE 8 1HG2 ILE 8 15.588 -6.216 -0.817 62 HG22 ILE 8 2HG2 ILE 8 14.094 -5.278 -0.819 63 HG23 ILE 8 3HG2 ILE 8 15.618 -4.509 -1.260 64 HD11 ILE 8 1HD1 ILE 8 15.393 -8.471 -2.923 65 HD12 ILE 8 2HD1 ILE 8 13.850 -9.069 -2.314 66 HD13 ILE 8 3HD1 ILE 8 14.873 -8.064 -1.289 67 HA PRO 9 HA PRO 9 15.720 -0.606 -3.346 68 HB2 PRO 9 1HB PRO 9 16.133 -1.011 -0.406 69 HB3 PRO 9 2HB PRO 9 15.654 0.456 -1.286 70 HG2 PRO 9 1HG PRO 9 13.867 -0.973 0.044 71 HG3 PRO 9 2HG PRO 9 13.470 -0.228 -1.516 72 HD2 PRO 9 1HD PRO 9 13.954 -3.091 -0.877 73 HD3 PRO 9 2HD PRO 9 12.934 -2.375 -2.140 74 H PHE 10 H PHE 10 17.498 -1.331 -4.493 75 HA PHE 10 HA PHE 10 19.580 -2.886 -3.244 76 HB2 PHE 10 1HB PHE 10 19.001 -1.847 -5.959 77 HB3 PHE 10 2HB PHE 10 20.684 -2.159 -5.578 78 HD1 PHE 10 HD1 PHE 10 17.364 -3.636 -6.106 79 HD2 PHE 10 HD2 PHE 10 21.472 -4.436 -5.139 80 HE1 PHE 10 HE1 PHE 10 16.998 -6.048 -6.551 81 HE2 PHE 10 HE2 PHE 10 21.107 -6.848 -5.584 82 HZ PHE 10 HZ PHE 10 18.871 -7.654 -6.290 83 HA PRO 11 HA PRO 11 22.084 1.269 -4.163 84 HB2 PRO 11 1HB PRO 11 19.988 3.186 -3.291 85 HB3 PRO 11 2HB PRO 11 21.226 3.341 -4.544 86 HG2 PRO 11 1HG PRO 11 18.611 2.834 -5.058 87 HG3 PRO 11 2HG PRO 11 19.947 2.379 -6.125 88 HD2 PRO 11 1HD PRO 11 18.216 0.656 -4.509 89 HD3 PRO 11 2HD PRO 11 19.307 0.222 -5.839 90 HA PRO 12 HA PRO 12 21.171 2.648 0.464 91 HB2 PRO 12 1HB PRO 12 19.548 0.278 1.288 92 HB3 PRO 12 2HB PRO 12 19.443 1.965 1.822 93 HG2 PRO 12 1HG PRO 12 17.662 0.923 0.148 94 HG3 PRO 12 2HG PRO 12 18.198 2.608 0.013 95 HD2 PRO 12 1HD PRO 12 18.908 0.268 -1.698 96 HD3 PRO 12 2HD PRO 12 18.747 1.982 -2.134 97 H THR 13 H THR 13 20.842 -0.915 0.439 98 HA THR 13 HA THR 13 23.074 -1.334 2.120 99 HB THR 13 HB THR 13 22.817 -3.702 1.547 100 HG1 THR 13 HG1 THR 13 22.395 -3.613 -0.612 101 HG21 THR 13 1HG2 THR 13 21.249 -2.625 3.146 102 HG22 THR 13 2HG2 THR 13 20.492 -3.953 2.265 103 HG23 THR 13 3HG2 THR 13 20.151 -2.284 1.808 104 H SER 14 H SER 14 23.147 -0.376 -1.113 105 HA SER 14 HA SER 14 25.279 -2.170 -1.983 106 HB2 SER 14 1HB SER 14 23.474 -1.389 -3.555 107 HB3 SER 14 2HB SER 14 24.120 0.241 -3.403 108 HG SER 14 HG SER 14 25.097 -1.965 -4.749 109 H ILE 15 H ILE 15 24.763 1.286 -1.456 110 HA ILE 15 HA ILE 15 27.479 2.082 -1.594 111 HB ILE 15 HB ILE 15 25.209 3.328 -0.013 112 HG12 ILE 15 1HG1 ILE 15 26.222 3.985 -2.796 113 HG13 ILE 15 2HG1 ILE 15 24.772 3.033 -2.473 114 HG21 ILE 15 1HG2 ILE 15 27.469 4.112 0.643 115 HG22 ILE 15 2HG2 ILE 15 26.556 5.380 -0.174 116 HG23 ILE 15 3HG2 ILE 15 27.812 4.499 -1.042 117 HD11 ILE 15 1HD1 ILE 15 24.026 5.038 -1.013 118 HD12 ILE 15 2HD1 ILE 15 23.945 5.225 -2.765 119 HD13 ILE 15 3HD1 ILE 15 25.280 5.943 -1.861 120 H LEU 16 H LEU 16 25.386 0.931 1.044 121 HA LEU 16 HA LEU 16 27.203 1.347 3.170 122 HB2 LEU 16 1HB LEU 16 24.799 0.748 3.446 123 HB3 LEU 16 2HB LEU 16 25.177 -0.886 2.898 124 HG LEU 16 HG LEU 16 26.892 -0.998 4.770 125 HD11 LEU 16 1HD1 LEU 16 26.336 0.641 6.668 126 HD12 LEU 16 2HD1 LEU 16 25.508 1.603 5.443 127 HD13 LEU 16 3HD1 LEU 16 27.239 1.295 5.301 128 HD21 LEU 16 1HD2 LEU 16 24.910 -2.204 5.172 129 HD22 LEU 16 2HD2 LEU 16 23.925 -0.742 5.233 130 HD23 LEU 16 3HD2 LEU 16 25.010 -1.131 6.569 131 H LEU 17 H LEU 17 26.844 -1.311 0.863 132 HA LEU 17 HA LEU 17 28.563 -3.129 2.229 133 HB2 LEU 17 1HB LEU 17 26.831 -3.713 0.478 134 HB3 LEU 17 2HB LEU 17 27.955 -3.098 -0.732 135 HG LEU 17 HG LEU 17 28.945 -5.105 1.268 136 HD11 LEU 17 1HD1 LEU 17 28.257 -6.916 -0.330 137 HD12 LEU 17 2HD1 LEU 17 27.279 -5.724 -1.188 138 HD13 LEU 17 3HD1 LEU 17 26.896 -6.141 0.483 139 HD21 LEU 17 1HD2 LEU 17 30.666 -4.350 -0.129 140 HD22 LEU 17 2HD2 LEU 17 29.603 -4.207 -1.528 141 HD23 LEU 17 3HD2 LEU 17 30.125 -5.798 -0.975 142 H LEU 18 H LEU 18 29.044 -0.878 -0.457 143 HA LEU 18 HA LEU 18 31.727 -1.523 -1.021 144 HB2 LEU 18 1HB LEU 18 30.259 -0.139 -2.487 145 HB3 LEU 18 2HB LEU 18 30.378 1.173 -1.313 146 HG LEU 18 HG LEU 18 32.903 1.020 -1.568 147 HD11 LEU 18 1HD1 LEU 18 33.465 0.009 -3.922 148 HD12 LEU 18 2HD1 LEU 18 31.987 -0.922 -3.672 149 HD13 LEU 18 3HD1 LEU 18 33.325 -1.070 -2.533 150 HD21 LEU 18 1HD2 LEU 18 31.791 2.840 -2.646 151 HD22 LEU 18 2HD2 LEU 18 31.103 1.782 -3.878 152 HD23 LEU 18 3HD2 LEU 18 32.833 2.127 -3.877 153 H LEU 19 H LEU 19 30.265 0.823 1.207 154 HA LEU 19 HA LEU 19 32.632 2.050 2.100 155 HB2 LEU 19 1HB LEU 19 30.264 2.784 2.577 156 HB3 LEU 19 2HB LEU 19 30.179 1.502 3.783 157 HG LEU 19 HG LEU 19 32.493 3.411 3.876 158 HD11 LEU 19 1HD1 LEU 19 30.468 4.834 3.645 159 HD12 LEU 19 2HD1 LEU 19 31.193 4.973 5.247 160 HD13 LEU 19 3HD1 LEU 19 29.743 3.995 5.018 161 HD21 LEU 19 1HD2 LEU 19 30.954 1.648 5.763 162 HD22 LEU 19 2HD2 LEU 19 31.864 3.013 6.407 163 HD23 LEU 19 3HD2 LEU 19 32.695 1.748 5.506 164 H ALA 20 H ALA 20 30.974 -0.896 3.168 165 HA ALA 20 HA ALA 20 32.525 -1.349 5.486 166 HB1 ALA 20 1HB ALA 20 30.902 -3.153 3.702 167 HB2 ALA 20 2HB ALA 20 30.527 -2.584 5.329 168 HB3 ALA 20 3HB ALA 20 31.794 -3.787 5.085 169 H CYS 21 H CYS 21 32.916 -2.491 2.144 170 HA CYS 21 HA CYS 21 35.065 -4.248 2.647 171 HB2 CYS 21 1HB CYS 21 34.302 -2.759 0.126 172 HB3 CYS 21 2HB CYS 21 35.490 -4.060 0.199 173 HG CYS 21 HG CYS 21 33.249 -5.222 -0.359 174 H ILE 22 H ILE 22 35.023 -0.853 1.586 175 HA ILE 22 HA ILE 22 37.800 -0.615 1.164 176 HB ILE 22 HB ILE 22 35.811 1.536 1.944 177 HG12 ILE 22 1HG1 ILE 22 36.801 0.708 -0.798 178 HG13 ILE 22 2HG1 ILE 22 35.268 0.169 -0.114 179 HG21 ILE 22 1HG2 ILE 22 38.481 1.748 0.517 180 HG22 ILE 22 2HG2 ILE 22 38.208 2.193 2.201 181 HG23 ILE 22 3HG2 ILE 22 37.399 3.083 0.911 182 HD11 ILE 22 1HD1 ILE 22 36.096 3.023 -0.702 183 HD12 ILE 22 2HD1 ILE 22 34.635 2.589 0.186 184 HD13 ILE 22 3HD1 ILE 22 34.821 2.102 -1.499 185 H PHE 23 H PHE 23 35.807 0.004 4.044 186 HA PHE 23 HA PHE 23 37.841 1.169 5.613 187 HB2 PHE 23 1HB PHE 23 35.410 1.247 6.127 188 HB3 PHE 23 2HB PHE 23 35.473 -0.454 6.548 189 HD1 PHE 23 HD1 PHE 23 36.559 -1.202 8.611 190 HD2 PHE 23 HD2 PHE 23 36.392 2.958 7.554 191 HE1 PHE 23 HE1 PHE 23 37.205 -0.587 10.925 192 HE2 PHE 23 HE2 PHE 23 37.040 3.573 9.868 193 HZ PHE 23 HZ PHE 23 37.446 1.800 11.554 194 H LEU 24 H LEU 24 36.710 -2.198 5.377 195 HA LEU 24 HA LEU 24 38.289 -3.194 7.491 196 HB2 LEU 24 1HB LEU 24 36.339 -4.378 6.489 197 HB3 LEU 24 2HB LEU 24 37.312 -4.699 5.053 198 HG LEU 24 HG LEU 24 39.008 -5.812 6.580 199 HD11 LEU 24 1HD1 LEU 24 37.945 -6.613 8.773 200 HD12 LEU 24 2HD1 LEU 24 36.742 -5.348 8.528 201 HD13 LEU 24 3HD1 LEU 24 38.443 -4.922 8.718 202 HD21 LEU 24 1HD2 LEU 24 37.525 -7.862 6.919 203 HD22 LEU 24 2HD2 LEU 24 37.571 -7.221 5.276 204 HD23 LEU 24 3HD2 LEU 24 36.188 -6.883 6.316 205 H ILE 25 H ILE 25 38.863 -3.128 3.976 206 HA ILE 25 HA ILE 25 41.317 -4.540 4.118 207 HB ILE 25 HB ILE 25 39.980 -4.366 2.057 208 HG12 ILE 25 1HG1 ILE 25 42.709 -3.148 1.619 209 HG13 ILE 25 2HG1 ILE 25 42.496 -4.824 2.126 210 HG21 ILE 25 1HG2 ILE 25 40.962 -1.498 2.035 211 HG22 ILE 25 2HG2 ILE 25 39.287 -2.030 2.205 212 HG23 ILE 25 3HG2 ILE 25 40.151 -2.303 0.694 213 HD11 ILE 25 1HD1 ILE 25 41.655 -3.518 -0.454 214 HD12 ILE 25 2HD1 ILE 25 40.857 -4.986 0.111 215 HD13 ILE 25 3HD1 ILE 25 42.591 -4.994 -0.216 216 H LYS 26 H LYS 26 40.562 -1.092 4.316 217 HA LYS 26 HA LYS 26 43.157 -0.089 3.944 218 HB2 LYS 26 1HB LYS 26 41.076 1.282 3.980 219 HB3 LYS 26 2HB LYS 26 40.990 1.047 5.727 220 HG2 LYS 26 1HG LYS 26 43.247 2.072 5.948 221 HG3 LYS 26 2HG LYS 26 43.251 2.383 4.211 222 HD2 LYS 26 1HD LYS 26 41.139 3.704 4.499 223 HD3 LYS 26 2HD LYS 26 41.302 3.502 6.244 224 HE2 LYS 26 1HE LYS 26 43.349 4.732 6.294 225 HE3 LYS 26 2HE LYS 26 43.499 4.688 4.537 226 HZ1 LYS 26 1HZ LYS 26 42.017 6.492 6.190 227 HZ2 LYS 26 2HZ LYS 26 41.058 5.813 4.963 228 HZ3 LYS 26 3HZ LYS 26 42.483 6.650 4.567 229 H ILE 27 H ILE 27 41.466 -1.127 6.886 230 HA ILE 27 HA ILE 27 43.560 -0.434 8.676 231 HB ILE 27 HB ILE 27 41.431 -2.549 9.042 232 HG12 ILE 27 1HG1 ILE 27 40.408 -0.399 8.461 233 HG13 ILE 27 2HG1 ILE 27 40.138 -0.759 10.161 234 HG21 ILE 27 1HG2 ILE 27 41.770 -1.778 11.486 235 HG22 ILE 27 2HG2 ILE 27 43.287 -1.087 10.913 236 HG23 ILE 27 3HG2 ILE 27 43.002 -2.822 10.777 237 HD11 ILE 27 1HD1 ILE 27 42.074 0.725 10.736 238 HD12 ILE 27 2HD1 ILE 27 40.769 1.582 9.920 239 HD13 ILE 27 3HD1 ILE 27 42.220 1.136 9.027 240 H LEU 28 H LEU 28 42.720 -3.515 7.096 241 HA LEU 28 HA LEU 28 44.601 -5.106 8.447 242 HB2 LEU 28 1HB LEU 28 43.466 -5.431 5.660 243 HB3 LEU 28 2HB LEU 28 44.324 -6.682 6.559 244 HG LEU 28 HG LEU 28 41.813 -5.310 7.557 245 HD11 LEU 28 1HD1 LEU 28 40.702 -7.469 6.984 246 HD12 LEU 28 2HD1 LEU 28 42.190 -7.997 6.199 247 HD13 LEU 28 3HD1 LEU 28 41.295 -6.620 5.557 248 HD21 LEU 28 1HD2 LEU 28 41.832 -7.404 9.040 249 HD22 LEU 28 2HD2 LEU 28 43.060 -6.188 9.395 250 HD23 LEU 28 3HD2 LEU 28 43.492 -7.644 8.497 251 H ALA 29 H ALA 29 44.882 -3.204 5.477 252 HA ALA 29 HA ALA 29 47.398 -4.165 4.660 253 HB1 ALA 29 1HB ALA 29 47.469 -2.298 3.182 254 HB2 ALA 29 2HB ALA 29 46.381 -1.359 4.205 255 HB3 ALA 29 3HB ALA 29 45.771 -2.754 3.315 256 H ALA 30 H ALA 30 46.551 -1.306 6.621 257 HA ALA 30 HA ALA 30 47.828 0.047 7.970 258 HB1 ALA 30 1HB ALA 30 48.012 -2.388 8.973 259 HB2 ALA 30 2HB ALA 30 48.998 -1.073 9.613 260 HB3 ALA 30 3HB ALA 30 49.697 -2.228 8.478 261 H SER 31 H SER 31 48.557 0.065 5.183 262 HA SER 31 HA SER 31 51.265 -0.312 4.646 263 HB2 SER 31 1HB SER 31 49.463 1.819 3.477 264 HB3 SER 31 2HB SER 31 50.947 1.198 2.764 265 HG SER 31 HG SER 31 49.094 0.165 1.913 266 H ALA 32 H ALA 32 49.615 2.463 6.099 267 HA ALA 32 HA ALA 32 51.727 4.312 5.906 268 HB1 ALA 32 1HB ALA 32 50.556 5.585 7.587 269 HB2 ALA 32 2HB ALA 32 49.666 4.156 8.114 270 HB3 ALA 32 3HB ALA 32 49.357 4.850 6.523 271 H LEU 33 H LEU 33 50.821 2.168 8.623 272 HA LEU 33 HA LEU 33 52.868 3.006 10.360 273 HB2 LEU 33 1HB LEU 33 50.861 1.694 11.035 274 HB3 LEU 33 2HB LEU 33 51.563 0.279 10.249 275 HG LEU 33 HG LEU 33 53.604 0.602 11.722 276 HD11 LEU 33 1HD1 LEU 33 53.406 2.868 12.417 277 HD12 LEU 33 2HD1 LEU 33 53.038 1.919 13.858 278 HD13 LEU 33 3HD1 LEU 33 51.731 2.647 12.924 279 HD21 LEU 33 1HD2 LEU 33 52.454 -0.326 13.753 280 HD22 LEU 33 2HD2 LEU 33 51.966 -1.118 12.254 281 HD23 LEU 33 3HD2 LEU 33 50.907 0.074 13.008 282 H TRP 34 H TRP 34 52.790 0.461 7.902 283 HA TRP 34 HA TRP 34 55.212 -0.800 8.615 284 HB2 TRP 34 1HB TRP 34 53.449 -1.722 7.096 285 HB3 TRP 34 2HB TRP 34 53.998 -0.606 5.860 286 HD1 TRP 34 HD1 TRP 34 56.037 -1.297 4.446 287 HE1 TRP 34 HE1 TRP 34 57.580 -3.360 4.400 288 HE3 TRP 34 HE3 TRP 34 54.575 -3.588 8.769 289 HZ2 TRP 34 HZ2 TRP 34 58.124 -5.681 5.988 290 HZ3 TRP 34 HZ3 TRP 34 55.618 -5.718 9.477 291 HH2 TRP 34 HH2 TRP 34 57.387 -6.768 8.097 292 H ALA 35 H ALA 35 54.519 1.794 6.286 293 HA ALA 35 HA ALA 35 57.129 1.947 5.211 294 HB1 ALA 35 1HB ALA 35 56.408 3.916 4.127 295 HB2 ALA 35 2HB ALA 35 55.224 4.275 5.385 296 HB3 ALA 35 3HB ALA 35 54.952 2.930 4.276 297 H ALA 36 H ALA 36 55.539 3.792 7.807 298 HA ALA 36 HA ALA 36 57.673 5.560 8.313 299 HB1 ALA 36 1HB ALA 36 55.451 4.537 10.088 300 HB2 ALA 36 2HB ALA 36 55.514 6.068 9.214 301 HB3 ALA 36 3HB ALA 36 56.588 5.791 10.585 302 H ALA 37 H ALA 37 56.917 2.359 9.626 303 HA ALA 37 HA ALA 37 58.972 2.334 11.587 304 HB1 ALA 37 1HB ALA 37 58.366 0.124 11.974 305 HB2 ALA 37 2HB ALA 37 57.960 -0.169 10.284 306 HB3 ALA 37 3HB ALA 37 56.883 0.793 11.297 307 H TRP 38 H TRP 38 58.882 1.413 8.182 308 HA TRP 38 HA TRP 38 61.176 -0.172 8.064 309 HB2 TRP 38 1HB TRP 38 59.493 0.173 6.242 310 HB3 TRP 38 2HB TRP 38 60.215 1.741 5.939 311 HD1 TRP 38 HD1 TRP 38 61.934 1.745 4.090 312 HE1 TRP 38 HE1 TRP 38 63.483 0.001 2.994 313 HE3 TRP 38 HE3 TRP 38 60.881 -2.318 6.998 314 HZ2 TRP 38 HZ2 TRP 38 64.184 -2.759 3.309 315 HZ3 TRP 38 HZ3 TRP 38 61.999 -4.486 6.580 316 HH2 TRP 38 HH2 TRP 38 63.647 -4.714 4.743 317 H HIS 39 H HIS 39 60.855 3.358 7.729 318 HA HIS 39 HA HIS 39 63.771 3.577 8.214 319 HB2 HIS 39 1HB HIS 39 62.046 5.143 6.305 320 HB3 HIS 39 2HB HIS 39 63.619 5.700 6.838 321 HD1 HIS 39 HD1 HIS 39 62.282 4.305 3.991 322 HD2 HIS 39 HD2 HIS 39 65.489 3.132 6.381 323 HE1 HIS 39 HE1 HIS 39 63.753 2.839 2.544 324 H GLY 40 H GLY 40 64.381 4.961 9.779 325 HA2 GLY 40 1HA GLY 40 62.290 6.355 11.278 326 HA3 GLY 40 2HA GLY 40 63.960 6.119 11.789 327 H GLN 41 H GLN 41 62.759 8.603 12.032 328 HA GLN 41 HA GLN 41 63.048 10.826 11.532 329 HB2 GLN 41 1HB GLN 41 65.586 9.711 10.321 330 HB3 GLN 41 2HB GLN 41 65.274 11.427 10.582 331 HG2 GLN 41 1HG GLN 41 65.028 11.051 12.985 332 HG3 GLN 41 2HG GLN 41 65.239 9.318 12.758 333 HE21 GLN 41 1HE2 GLN 41 66.988 10.834 14.446 334 HE22 GLN 41 2HE2 GLN 41 68.530 10.850 13.736 335 H LYS 42 H LYS 42 61.357 11.227 10.137 336 HA LYS 42 HA LYS 42 61.151 10.408 7.475 337 HB2 LYS 42 1HB LYS 42 59.511 12.215 7.211 338 HB3 LYS 42 2HB LYS 42 59.249 11.324 8.705 339 HG2 LYS 42 1HG LYS 42 61.069 13.649 9.003 340 HG3 LYS 42 2HG LYS 42 59.445 14.079 8.488 341 HD2 LYS 42 1HD LYS 42 59.779 12.163 10.775 342 HD3 LYS 42 2HD LYS 42 60.009 13.889 11.055 343 HE2 LYS 42 1HE LYS 42 57.748 14.205 9.864 344 HE3 LYS 42 2HE LYS 42 57.530 12.469 10.079 345 HZ1 LYS 42 1HZ LYS 42 58.032 12.870 12.492 346 HZ2 LYS 42 2HZ LYS 42 56.553 13.497 11.938 347 HZ3 LYS 42 3HZ LYS 42 57.880 14.530 12.176 348 HA PRO 43 HA PRO 43 64.057 13.020 5.419 349 HB2 PRO 43 1HB PRO 43 63.029 13.235 2.918 350 HB3 PRO 43 2HB PRO 43 63.717 11.722 3.540 351 HG2 PRO 43 1HG PRO 43 60.872 12.526 3.252 352 HG3 PRO 43 2HG PRO 43 61.635 10.948 2.988 353 HD2 PRO 43 1HD PRO 43 60.227 11.609 5.267 354 HD3 PRO 43 2HD PRO 43 61.481 10.353 5.199 355 H GLY 44 H GLY 44 60.706 14.040 5.481 356 HA2 GLY 44 1HA GLY 44 60.819 16.536 4.270 357 HA3 GLY 44 2HA GLY 44 59.745 16.128 5.603 358 H THR 45 H THR 45 61.845 15.587 7.518 359 HA THR 45 HA THR 45 62.943 18.315 7.911 360 HB THR 45 HB THR 45 62.046 16.376 10.057 361 HG1 THR 45 HG1 THR 45 60.180 17.360 10.003 362 HG21 THR 45 1HG2 THR 45 62.849 19.297 10.170 363 HG22 THR 45 2HG2 THR 45 63.855 17.949 10.700 364 HG23 THR 45 3HG2 THR 45 62.345 18.306 11.539 365 H HIS 46 H HIS 46 65.056 18.484 8.485 366 HA HIS 46 HA HIS 46 66.648 16.026 8.345 367 HB2 HIS 46 1HB HIS 46 67.425 18.943 8.273 368 HB3 HIS 46 2HB HIS 46 68.566 17.615 8.196 369 HD1 HIS 46 HD1 HIS 46 68.401 19.614 5.878 370 HD2 HIS 46 HD2 HIS 46 66.210 16.070 6.000 371 HE1 HIS 46 HE1 HIS 46 67.812 19.055 3.481 Start of MODEL 17 1 H ARG 1 3H ARG 1 13.031 8.136 9.205 2 HA ARG 1 HA ARG 1 12.219 8.154 6.963 3 HB2 ARG 1 1HB ARG 1 11.036 9.492 8.711 4 HB3 ARG 1 2HB ARG 1 11.972 10.904 8.218 5 HG2 ARG 1 1HG ARG 1 11.069 10.652 5.907 6 HG3 ARG 1 2HG ARG 1 10.058 9.323 6.478 7 HD2 ARG 1 1HD ARG 1 9.983 12.163 7.536 8 HD3 ARG 1 2HD ARG 1 8.804 11.452 6.437 9 HE ARG 1 HE ARG 1 9.123 9.903 8.831 10 HH11 ARG 1 1HH1 ARG 1 7.505 12.740 7.543 11 HH12 ARG 1 2HH1 ARG 1 6.229 12.665 8.712 12 HH21 ARG 1 1HH2 ARG 1 7.453 9.858 10.310 13 HH22 ARG 1 2HH2 ARG 1 6.201 11.054 10.257 14 H SER 2 H SER 2 13.404 8.131 5.133 15 HA SER 2 HA SER 2 15.490 9.854 4.447 16 HB2 SER 2 1HB SER 2 13.633 8.393 2.560 17 HB3 SER 2 2HB SER 2 15.239 9.003 2.180 18 HG SER 2 HG SER 2 16.124 7.476 3.440 19 H LEU 3 H LEU 3 12.017 10.262 4.032 20 HA LEU 3 HA LEU 3 11.995 12.259 2.073 21 HB2 LEU 3 1HB LEU 3 10.140 11.964 4.448 22 HB3 LEU 3 2HB LEU 3 9.806 12.886 2.982 23 HG LEU 3 HG LEU 3 10.367 9.906 3.045 24 HD11 LEU 3 1HD1 LEU 3 7.981 9.621 2.651 25 HD12 LEU 3 2HD1 LEU 3 7.744 11.369 2.620 26 HD13 LEU 3 3HD1 LEU 3 8.203 10.568 4.123 27 HD21 LEU 3 1HD2 LEU 3 10.987 10.817 0.912 28 HD22 LEU 3 2HD2 LEU 3 9.562 11.855 0.871 29 HD23 LEU 3 3HD2 LEU 3 9.386 10.108 0.698 30 H LEU 4 H LEU 4 12.508 12.488 5.570 31 HA LEU 4 HA LEU 4 12.387 15.285 5.822 32 HB2 LEU 4 1HB LEU 4 12.462 13.607 7.692 33 HB3 LEU 4 2HB LEU 4 14.186 13.417 7.381 34 HG LEU 4 HG LEU 4 13.107 16.192 7.759 35 HD11 LEU 4 1HD1 LEU 4 12.122 14.925 9.624 36 HD12 LEU 4 2HD1 LEU 4 13.408 15.982 10.206 37 HD13 LEU 4 3HD1 LEU 4 13.705 14.254 10.016 38 HD21 LEU 4 1HD2 LEU 4 15.423 16.179 9.050 39 HD22 LEU 4 2HD2 LEU 4 15.391 16.238 7.290 40 HD23 LEU 4 3HD2 LEU 4 15.696 14.711 8.113 41 H GLU 5 H GLU 5 15.064 13.129 4.961 42 HA GLU 5 HA GLU 5 17.114 15.066 4.958 43 HB2 GLU 5 1HB GLU 5 16.836 12.510 3.364 44 HB3 GLU 5 2HB GLU 5 18.325 13.447 3.511 45 HG2 GLU 5 1HG GLU 5 18.210 13.194 5.981 46 HG3 GLU 5 2HG GLU 5 16.777 12.193 5.796 47 H GLY 6 H GLY 6 14.820 14.072 2.445 48 HA2 GLY 6 1HA GLY 6 14.020 15.328 0.672 49 HA3 GLY 6 2HA GLY 6 15.083 16.639 1.168 50 H GLU 7 H GLU 7 16.173 13.354 0.469 51 HA GLU 7 HA GLU 7 17.463 14.357 -2.005 52 HB2 GLU 7 1HB GLU 7 19.347 12.875 -1.549 53 HB3 GLU 7 2HB GLU 7 19.115 14.002 -0.215 54 HG2 GLU 7 1HG GLU 7 17.839 12.234 1.003 55 HG3 GLU 7 2HG GLU 7 18.198 11.115 -0.305 56 H ILE 8 H ILE 8 18.026 12.585 -3.543 57 HA ILE 8 HA ILE 8 15.699 11.137 -4.206 58 HB ILE 8 HB ILE 8 16.861 10.234 -6.050 59 HG12 ILE 8 1HG1 ILE 8 18.835 9.302 -4.940 60 HG13 ILE 8 2HG1 ILE 8 19.298 10.261 -6.337 61 HG21 ILE 8 1HG2 ILE 8 16.499 12.652 -6.171 62 HG22 ILE 8 2HG2 ILE 8 17.943 12.173 -7.063 63 HG23 ILE 8 3HG2 ILE 8 18.097 12.929 -5.478 64 HD11 ILE 8 1HD1 ILE 8 19.480 11.066 -3.422 65 HD12 ILE 8 2HD1 ILE 8 19.754 12.184 -4.758 66 HD13 ILE 8 3HD1 ILE 8 20.812 10.794 -4.540 67 HA PRO 9 HA PRO 9 16.346 7.470 -1.832 68 HB2 PRO 9 1HB PRO 9 15.057 5.556 -3.258 69 HB3 PRO 9 2HB PRO 9 14.192 6.861 -2.421 70 HG2 PRO 9 1HG PRO 9 14.799 6.541 -5.301 71 HG3 PRO 9 2HG PRO 9 13.385 7.260 -4.512 72 HD2 PRO 9 1HD PRO 9 15.503 8.699 -5.618 73 HD3 PRO 9 2HD PRO 9 14.333 9.335 -4.443 74 H PHE 10 H PHE 10 18.714 7.685 -2.454 75 HA PHE 10 HA PHE 10 19.874 6.082 -4.455 76 HB2 PHE 10 1HB PHE 10 20.787 7.712 -2.273 77 HB3 PHE 10 2HB PHE 10 21.638 6.189 -2.190 78 HD1 PHE 10 HD1 PHE 10 20.460 8.242 -5.104 79 HD2 PHE 10 HD2 PHE 10 23.785 6.519 -3.000 80 HE1 PHE 10 HE1 PHE 10 21.996 9.028 -6.885 81 HE2 PHE 10 HE2 PHE 10 25.320 7.304 -4.782 82 HZ PHE 10 HZ PHE 10 24.426 8.559 -6.724 83 HA PRO 11 HA PRO 11 19.510 2.028 -2.748 84 HB2 PRO 11 1HB PRO 11 21.765 0.747 -3.476 85 HB3 PRO 11 2HB PRO 11 20.563 1.287 -4.663 86 HG2 PRO 11 1HG PRO 11 23.171 2.507 -3.931 87 HG3 PRO 11 2HG PRO 11 22.397 2.358 -5.519 88 HD2 PRO 11 1HD PRO 11 22.367 4.660 -3.983 89 HD3 PRO 11 2HD PRO 11 21.182 4.282 -5.251 90 HA PRO 12 HA PRO 12 21.687 3.043 1.192 91 HB2 PRO 12 1HB PRO 12 20.385 1.105 2.728 92 HB3 PRO 12 2HB PRO 12 19.835 2.773 2.484 93 HG2 PRO 12 1HG PRO 12 18.968 0.282 1.122 94 HG3 PRO 12 2HG PRO 12 18.015 1.690 1.628 95 HD2 PRO 12 1HD PRO 12 18.689 1.337 -0.949 96 HD3 PRO 12 2HD PRO 12 18.640 2.961 -0.224 97 H THR 13 H THR 13 20.906 -0.442 0.953 98 HA THR 13 HA THR 13 23.205 -1.286 2.295 99 HB THR 13 HB THR 13 22.677 -3.522 1.452 100 HG1 THR 13 HG1 THR 13 21.063 -2.015 -0.304 101 HG21 THR 13 1HG2 THR 13 20.218 -1.879 2.121 102 HG22 THR 13 2HG2 THR 13 21.331 -2.586 3.291 103 HG23 THR 13 3HG2 THR 13 20.351 -3.632 2.264 104 H SER 14 H SER 14 23.065 -0.066 -0.900 105 HA SER 14 HA SER 14 25.072 -1.887 -1.993 106 HB2 SER 14 1HB SER 14 23.843 0.589 -3.234 107 HB3 SER 14 2HB SER 14 24.816 -0.622 -4.058 108 HG SER 14 HG SER 14 23.103 -2.119 -3.159 109 H ILE 15 H ILE 15 24.701 1.569 -1.334 110 HA ILE 15 HA ILE 15 27.419 2.294 -1.654 111 HB ILE 15 HB ILE 15 25.391 3.524 0.230 112 HG12 ILE 15 1HG1 ILE 15 24.471 3.420 -2.045 113 HG13 ILE 15 2HG1 ILE 15 24.884 5.078 -1.624 114 HG21 ILE 15 1HG2 ILE 15 27.627 4.312 0.672 115 HG22 ILE 15 2HG2 ILE 15 26.771 5.580 -0.205 116 HG23 ILE 15 3HG2 ILE 15 27.933 4.556 -1.047 117 HD11 ILE 15 1HD1 ILE 15 26.549 3.200 -3.331 118 HD12 ILE 15 2HD1 ILE 15 27.028 4.834 -2.871 119 HD13 ILE 15 3HD1 ILE 15 25.624 4.586 -3.903 120 H LEU 16 H LEU 16 25.540 1.079 1.098 121 HA LEU 16 HA LEU 16 27.566 1.370 3.064 122 HB2 LEU 16 1HB LEU 16 25.267 -0.590 2.883 123 HB3 LEU 16 2HB LEU 16 26.269 -0.353 4.315 124 HG LEU 16 HG LEU 16 24.743 1.886 2.963 125 HD11 LEU 16 1HD1 LEU 16 23.079 0.379 3.798 126 HD12 LEU 16 2HD1 LEU 16 23.242 1.648 5.011 127 HD13 LEU 16 3HD1 LEU 16 23.999 0.077 5.272 128 HD21 LEU 16 1HD2 LEU 16 25.112 2.834 5.354 129 HD22 LEU 16 2HD2 LEU 16 26.488 2.817 4.252 130 HD23 LEU 16 3HD2 LEU 16 26.343 1.580 5.501 131 H LEU 17 H LEU 17 26.875 -1.172 0.711 132 HA LEU 17 HA LEU 17 28.531 -3.172 1.851 133 HB2 LEU 17 1HB LEU 17 26.742 -3.501 0.090 134 HB3 LEU 17 2HB LEU 17 27.881 -2.845 -1.084 135 HG LEU 17 HG LEU 17 28.787 -5.074 0.709 136 HD11 LEU 17 1HD1 LEU 17 27.900 -6.748 -0.811 137 HD12 LEU 17 2HD1 LEU 17 27.227 -5.497 -1.856 138 HD13 LEU 17 3HD1 LEU 17 26.563 -5.749 -0.242 139 HD21 LEU 17 1HD2 LEU 17 29.890 -5.629 -1.606 140 HD22 LEU 17 2HD2 LEU 17 30.524 -4.288 -0.654 141 HD23 LEU 17 3HD2 LEU 17 29.446 -3.972 -2.013 142 H LEU 18 H LEU 18 29.098 -0.766 -0.692 143 HA LEU 18 HA LEU 18 31.750 -1.472 -1.301 144 HB2 LEU 18 1HB LEU 18 30.351 0.095 -2.644 145 HB3 LEU 18 2HB LEU 18 30.527 1.299 -1.367 146 HG LEU 18 HG LEU 18 33.044 1.056 -1.640 147 HD11 LEU 18 1HD1 LEU 18 33.634 0.194 -4.004 148 HD12 LEU 18 2HD1 LEU 18 32.059 -0.597 -3.968 149 HD13 LEU 18 3HD1 LEU 18 33.282 -1.014 -2.769 150 HD21 LEU 18 1HD2 LEU 18 32.061 3.012 -2.565 151 HD22 LEU 18 2HD2 LEU 18 31.255 2.100 -3.842 152 HD23 LEU 18 3HD2 LEU 18 33.004 2.325 -3.886 153 H LEU 19 H LEU 19 30.408 0.766 1.106 154 HA LEU 19 HA LEU 19 32.868 1.750 2.081 155 HB2 LEU 19 1HB LEU 19 30.206 1.416 3.479 156 HB3 LEU 19 2HB LEU 19 31.567 2.332 4.126 157 HG LEU 19 HG LEU 19 30.320 2.889 1.423 158 HD11 LEU 19 1HD1 LEU 19 28.602 3.403 2.986 159 HD12 LEU 19 2HD1 LEU 19 29.415 4.939 2.690 160 HD13 LEU 19 3HD1 LEU 19 29.754 4.032 4.163 161 HD21 LEU 19 1HD2 LEU 19 32.470 3.822 1.418 162 HD22 LEU 19 2HD2 LEU 19 32.430 4.166 3.147 163 HD23 LEU 19 3HD2 LEU 19 31.493 5.157 2.028 164 H ALA 20 H ALA 20 31.001 -1.142 2.900 165 HA ALA 20 HA ALA 20 32.376 -1.796 5.279 166 HB1 ALA 20 1HB ALA 20 31.264 -3.856 5.187 167 HB2 ALA 20 2HB ALA 20 31.245 -3.875 3.423 168 HB3 ALA 20 3HB ALA 20 30.181 -2.779 4.306 169 H CYS 21 H CYS 21 32.879 -2.840 1.916 170 HA CYS 21 HA CYS 21 34.951 -4.680 2.474 171 HB2 CYS 21 1HB CYS 21 34.325 -3.120 -0.044 172 HB3 CYS 21 2HB CYS 21 35.495 -4.437 0.047 173 HG CYS 21 HG CYS 21 32.741 -5.255 1.087 174 H ILE 22 H ILE 22 35.065 -1.300 1.354 175 HA ILE 22 HA ILE 22 37.877 -1.160 1.208 176 HB ILE 22 HB ILE 22 36.358 0.437 0.098 177 HG12 ILE 22 1HG1 ILE 22 37.689 2.501 0.721 178 HG13 ILE 22 2HG1 ILE 22 38.436 1.543 2.000 179 HG21 ILE 22 1HG2 ILE 22 35.934 1.476 2.913 180 HG22 ILE 22 2HG2 ILE 22 34.712 0.770 1.855 181 HG23 ILE 22 3HG2 ILE 22 35.443 2.321 1.446 182 HD11 ILE 22 1HD1 ILE 22 38.416 0.618 -0.874 183 HD12 ILE 22 2HD1 ILE 22 39.433 0.047 0.448 184 HD13 ILE 22 3HD1 ILE 22 39.696 1.651 -0.237 185 H PHE 23 H PHE 23 35.680 -0.690 3.917 186 HA PHE 23 HA PHE 23 37.438 0.690 5.636 187 HB2 PHE 23 1HB PHE 23 34.991 0.465 5.954 188 HB3 PHE 23 2HB PHE 23 35.212 -1.233 6.318 189 HD1 PHE 23 HD1 PHE 23 36.047 2.211 7.468 190 HD2 PHE 23 HD2 PHE 23 35.747 -1.946 8.511 191 HE1 PHE 23 HE1 PHE 23 36.358 2.789 9.860 192 HE2 PHE 23 HE2 PHE 23 36.061 -1.369 10.902 193 HZ PHE 23 HZ PHE 23 36.366 0.998 11.578 194 H LEU 24 H LEU 24 36.675 -2.783 5.378 195 HA LEU 24 HA LEU 24 38.366 -3.590 7.496 196 HB2 LEU 24 1HB LEU 24 37.114 -5.021 5.175 197 HB3 LEU 24 2HB LEU 24 38.276 -5.854 6.208 198 HG LEU 24 HG LEU 24 36.814 -4.904 8.165 199 HD11 LEU 24 1HD1 LEU 24 35.395 -3.461 6.798 200 HD12 LEU 24 2HD1 LEU 24 34.414 -4.740 7.515 201 HD13 LEU 24 3HD1 LEU 24 34.893 -4.841 5.820 202 HD21 LEU 24 1HD2 LEU 24 35.857 -7.142 6.352 203 HD22 LEU 24 2HD2 LEU 24 35.378 -6.926 8.035 204 HD23 LEU 24 3HD2 LEU 24 37.057 -7.293 7.636 205 H ILE 25 H ILE 25 38.915 -3.465 3.984 206 HA ILE 25 HA ILE 25 41.478 -4.661 4.050 207 HB ILE 25 HB ILE 25 40.372 -2.698 2.030 208 HG12 ILE 25 1HG1 ILE 25 38.887 -4.622 2.314 209 HG13 ILE 25 2HG1 ILE 25 39.717 -4.720 0.768 210 HG21 ILE 25 1HG2 ILE 25 42.748 -2.938 1.718 211 HG22 ILE 25 2HG2 ILE 25 41.953 -3.921 0.488 212 HG23 ILE 25 3HG2 ILE 25 42.650 -4.689 1.914 213 HD11 ILE 25 1HD1 ILE 25 39.764 -6.570 3.016 214 HD12 ILE 25 2HD1 ILE 25 41.397 -6.112 2.538 215 HD13 ILE 25 3HD1 ILE 25 40.298 -6.816 1.356 216 H LYS 26 H LYS 26 40.469 -1.256 4.225 217 HA LYS 26 HA LYS 26 43.010 -0.112 3.900 218 HB2 LYS 26 1HB LYS 26 40.849 1.126 3.783 219 HB3 LYS 26 2HB LYS 26 40.711 0.982 5.535 220 HG2 LYS 26 1HG LYS 26 42.892 2.155 5.777 221 HG3 LYS 26 2HG LYS 26 42.948 2.365 4.027 222 HD2 LYS 26 1HD LYS 26 40.756 3.576 4.157 223 HD3 LYS 26 2HD LYS 26 40.857 3.480 5.916 224 HE2 LYS 26 1HE LYS 26 43.122 4.620 5.734 225 HE3 LYS 26 2HE LYS 26 42.742 4.922 4.038 226 HZ1 LYS 26 1HZ LYS 26 40.577 5.896 4.970 227 HZ2 LYS 26 2HZ LYS 26 41.997 6.818 5.097 228 HZ3 LYS 26 3HZ LYS 26 41.406 5.972 6.448 229 H ILE 27 H ILE 27 41.302 -1.190 6.817 230 HA ILE 27 HA ILE 27 43.204 -0.162 8.657 231 HB ILE 27 HB ILE 27 41.285 -2.479 9.013 232 HG12 ILE 27 1HG1 ILE 27 40.965 0.440 9.764 233 HG13 ILE 27 2HG1 ILE 27 40.274 -0.273 8.308 234 HG21 ILE 27 1HG2 ILE 27 43.113 -2.321 10.723 235 HG22 ILE 27 2HG2 ILE 27 41.511 -2.027 11.398 236 HG23 ILE 27 3HG2 ILE 27 42.593 -0.672 11.072 237 HD11 ILE 27 1HD1 ILE 27 39.716 -1.238 11.129 238 HD12 ILE 27 2HD1 ILE 27 38.971 -1.844 9.649 239 HD13 ILE 27 3HD1 ILE 27 38.648 -0.198 10.189 240 H LEU 28 H LEU 28 42.801 -3.415 7.248 241 HA LEU 28 HA LEU 28 44.840 -4.647 8.754 242 HB2 LEU 28 1HB LEU 28 43.835 -5.362 5.989 243 HB3 LEU 28 2HB LEU 28 44.762 -6.420 7.052 244 HG LEU 28 HG LEU 28 42.068 -5.221 7.756 245 HD11 LEU 28 1HD1 LEU 28 42.873 -7.929 6.674 246 HD12 LEU 28 2HD1 LEU 28 41.683 -6.808 6.011 247 HD13 LEU 28 3HD1 LEU 28 41.346 -7.662 7.516 248 HD21 LEU 28 1HD2 LEU 28 42.282 -7.194 9.468 249 HD22 LEU 28 2HD2 LEU 28 43.142 -5.688 9.791 250 HD23 LEU 28 3HD2 LEU 28 44.008 -7.073 9.125 251 H ALA 29 H ALA 29 44.917 -3.079 5.578 252 HA ALA 29 HA ALA 29 47.634 -3.710 5.020 253 HB1 ALA 29 1HB ALA 29 47.351 -1.714 3.389 254 HB2 ALA 29 2HB ALA 29 45.664 -1.735 3.903 255 HB3 ALA 29 3HB ALA 29 46.368 -3.156 3.131 256 H ALA 30 H ALA 30 46.052 -0.965 6.581 257 HA ALA 30 HA ALA 30 46.883 0.931 7.581 258 HB1 ALA 30 1HB ALA 30 49.334 -0.668 8.257 259 HB2 ALA 30 2HB ALA 30 47.772 -1.057 8.981 260 HB3 ALA 30 3HB ALA 30 48.488 0.535 9.232 261 H SER 31 H SER 31 47.864 0.281 4.707 262 HA SER 31 HA SER 31 50.501 1.131 4.362 263 HB2 SER 31 1HB SER 31 48.165 1.629 2.502 264 HB3 SER 31 2HB SER 31 49.870 1.641 2.064 265 HG SER 31 HG SER 31 49.966 -0.518 2.382 266 H ALA 32 H ALA 32 47.522 3.017 4.700 267 HA ALA 32 HA ALA 32 48.561 5.519 3.943 268 HB1 ALA 32 1HB ALA 32 46.104 4.717 4.489 269 HB2 ALA 32 2HB ALA 32 46.567 6.407 4.702 270 HB3 ALA 32 3HB ALA 32 46.496 5.328 6.096 271 H LEU 33 H LEU 33 48.293 4.012 7.168 272 HA LEU 33 HA LEU 33 49.289 6.199 8.631 273 HB2 LEU 33 1HB LEU 33 48.121 4.227 9.615 274 HB3 LEU 33 2HB LEU 33 49.569 3.264 9.319 275 HG LEU 33 HG LEU 33 50.861 4.969 10.678 276 HD11 LEU 33 1HD1 LEU 33 49.470 6.884 10.654 277 HD12 LEU 33 2HD1 LEU 33 49.299 6.254 12.293 278 HD13 LEU 33 3HD1 LEU 33 48.038 5.954 11.097 279 HD21 LEU 33 1HD2 LEU 33 50.105 2.794 11.609 280 HD22 LEU 33 2HD2 LEU 33 48.582 3.542 12.088 281 HD23 LEU 33 3HD2 LEU 33 50.092 4.064 12.833 282 H TRP 34 H TRP 34 50.944 3.480 7.080 283 HA TRP 34 HA TRP 34 53.509 3.948 8.151 284 HB2 TRP 34 1HB TRP 34 52.759 1.886 6.948 285 HB3 TRP 34 2HB TRP 34 52.842 2.788 5.447 286 HD1 TRP 34 HD1 TRP 34 55.114 2.902 4.270 287 HE1 TRP 34 HE1 TRP 34 57.497 2.105 4.843 288 HE3 TRP 34 HE3 TRP 34 54.437 1.535 9.143 289 HZ2 TRP 34 HZ2 TRP 34 58.930 1.029 7.079 290 HZ3 TRP 34 HZ3 TRP 34 56.320 0.629 10.468 291 HH2 TRP 34 HH2 TRP 34 58.564 0.373 9.447 292 H ALA 35 H ALA 35 51.990 5.082 5.150 293 HA ALA 35 HA ALA 35 54.245 6.406 4.101 294 HB1 ALA 35 1HB ALA 35 52.062 5.822 2.910 295 HB2 ALA 35 2HB ALA 35 52.760 7.401 2.544 296 HB3 ALA 35 3HB ALA 35 51.392 7.276 3.652 297 H ALA 36 H ALA 36 51.635 7.545 6.211 298 HA ALA 36 HA ALA 36 52.307 10.270 6.234 299 HB1 ALA 36 1HB ALA 36 51.207 8.815 8.631 300 HB2 ALA 36 2HB ALA 36 50.225 9.101 7.194 301 HB3 ALA 36 3HB ALA 36 50.880 10.465 8.100 302 H ALA 37 H ALA 37 53.542 7.562 8.140 303 HA ALA 37 HA ALA 37 55.015 9.074 10.022 304 HB1 ALA 37 1HB ALA 37 56.237 6.988 10.441 305 HB2 ALA 37 2HB ALA 37 55.555 6.288 8.973 306 HB3 ALA 37 3HB ALA 37 54.502 6.691 10.329 307 H TRP 38 H TRP 38 55.777 7.980 6.760 308 HA TRP 38 HA TRP 38 58.552 8.218 6.794 309 HB2 TRP 38 1HB TRP 38 57.196 7.253 4.949 310 HB3 TRP 38 2HB TRP 38 56.707 8.876 4.499 311 HD1 TRP 38 HD1 TRP 38 59.787 6.598 4.624 312 HE1 TRP 38 HE1 TRP 38 61.529 7.484 2.945 313 HE3 TRP 38 HE3 TRP 38 57.498 10.929 3.185 314 HZ2 TRP 38 HZ2 TRP 38 61.903 9.737 1.214 315 HZ3 TRP 38 HZ3 TRP 38 58.565 12.423 1.524 316 HH2 TRP 38 HH2 TRP 38 60.760 11.835 0.537 317 H HIS 39 H HIS 39 56.084 10.718 6.359 318 HA HIS 39 HA HIS 39 58.240 12.757 6.376 319 HB2 HIS 39 1HB HIS 39 56.874 14.133 4.924 320 HB3 HIS 39 2HB HIS 39 57.196 12.585 4.166 321 HD1 HIS 39 HD1 HIS 39 55.141 10.804 4.335 322 HD2 HIS 39 HD2 HIS 39 54.196 14.795 5.078 323 HE1 HIS 39 HE1 HIS 39 52.627 10.996 4.114 324 H GLY 40 H GLY 40 57.856 14.651 7.509 325 HA2 GLY 40 1HA GLY 40 55.373 14.822 9.086 326 HA3 GLY 40 2HA GLY 40 56.925 14.870 9.918 327 H GLN 41 H GLN 41 57.896 16.792 10.166 328 HA GLN 41 HA GLN 41 56.798 19.106 8.691 329 HB2 GLN 41 1HB GLN 41 58.323 18.957 11.303 330 HB3 GLN 41 2HB GLN 41 57.803 20.454 10.526 331 HG2 GLN 41 1HG GLN 41 55.465 19.758 10.676 332 HG3 GLN 41 2HG GLN 41 55.946 18.211 11.368 333 HE21 GLN 41 1HE2 GLN 41 54.198 20.003 12.763 334 HE22 GLN 41 2HE2 GLN 41 55.011 20.574 14.140 335 H LYS 42 H LYS 42 58.170 20.557 7.662 336 HA LYS 42 HA LYS 42 60.497 19.437 6.508 337 HB2 LYS 42 1HB LYS 42 60.803 21.654 5.471 338 HB3 LYS 42 2HB LYS 42 59.139 21.091 5.323 339 HG2 LYS 42 1HG LYS 42 58.724 22.416 7.522 340 HG3 LYS 42 2HG LYS 42 60.246 23.223 7.142 341 HD2 LYS 42 1HD LYS 42 59.403 24.197 5.198 342 HD3 LYS 42 2HD LYS 42 58.133 22.986 5.022 343 HE2 LYS 42 1HE LYS 42 56.955 24.871 5.785 344 HE3 LYS 42 2HE LYS 42 57.221 23.945 7.263 345 HZ1 LYS 42 1HZ LYS 42 57.774 26.302 7.522 346 HZ2 LYS 42 2HZ LYS 42 58.951 26.162 6.304 347 HZ3 LYS 42 3HZ LYS 42 59.127 25.306 7.763 348 HA PRO 43 HA PRO 43 63.396 20.935 9.570 349 HB2 PRO 43 1HB PRO 43 65.730 20.326 8.390 350 HB3 PRO 43 2HB PRO 43 64.598 19.054 8.891 351 HG2 PRO 43 1HG PRO 43 65.202 20.080 6.188 352 HG3 PRO 43 2HG PRO 43 64.706 18.459 6.703 353 HD2 PRO 43 1HD PRO 43 63.030 20.476 5.603 354 HD3 PRO 43 2HD PRO 43 62.520 18.927 6.306 355 H GLY 44 H GLY 44 62.332 22.973 7.733 356 HA2 GLY 44 1HA GLY 44 64.581 24.533 6.785 357 HA3 GLY 44 2HA GLY 44 62.882 24.988 6.705 358 H THR 45 H THR 45 64.333 27.020 7.344 359 HA THR 45 HA THR 45 64.166 27.286 10.292 360 HB THR 45 HB THR 45 66.131 28.681 8.459 361 HG1 THR 45 HG1 THR 45 66.548 26.446 8.698 362 HG21 THR 45 1HG2 THR 45 65.542 28.733 11.404 363 HG22 THR 45 2HG2 THR 45 65.876 30.077 10.312 364 HG23 THR 45 3HG2 THR 45 67.187 29.022 10.838 365 H HIS 46 H HIS 46 63.166 29.086 11.077 366 HA HIS 46 HA HIS 46 61.276 30.429 9.505 367 HB2 HIS 46 1HB HIS 46 62.524 31.247 12.131 368 HB3 HIS 46 2HB HIS 46 61.107 32.000 11.424 369 HD1 HIS 46 HD1 HIS 46 62.260 28.929 13.216 370 HD2 HIS 46 HD2 HIS 46 58.724 30.421 11.590 371 HE1 HIS 46 HE1 HIS 46 60.396 27.448 14.075 Start of MODEL 18 1 H ARG 1 3H ARG 1 13.535 -5.457 -16.384 2 HA ARG 1 HA ARG 1 15.833 -6.279 -15.358 3 HB2 ARG 1 1HB ARG 1 16.527 -7.161 -17.591 4 HB3 ARG 1 2HB ARG 1 16.427 -5.521 -18.234 5 HG2 ARG 1 1HG ARG 1 18.090 -4.789 -16.524 6 HG3 ARG 1 2HG ARG 1 18.247 -6.466 -16.000 7 HD2 ARG 1 1HD ARG 1 18.812 -5.445 -18.798 8 HD3 ARG 1 2HD ARG 1 20.033 -5.843 -17.593 9 HE ARG 1 HE ARG 1 18.188 -8.000 -18.166 10 HH11 ARG 1 1HH1 ARG 1 21.226 -6.510 -19.103 11 HH12 ARG 1 2HH1 ARG 1 21.826 -7.960 -19.835 12 HH21 ARG 1 1HH2 ARG 1 19.014 -9.836 -19.124 13 HH22 ARG 1 2HH2 ARG 1 20.589 -9.819 -19.847 14 H SER 2 H SER 2 16.941 -4.512 -14.529 15 HA SER 2 HA SER 2 17.225 -2.370 -13.818 16 HB2 SER 2 1HB SER 2 16.520 -1.806 -16.702 17 HB3 SER 2 2HB SER 2 17.070 -0.576 -15.572 18 HG SER 2 HG SER 2 18.498 -2.984 -15.904 19 H LEU 3 H LEU 3 14.597 -1.460 -16.053 20 HA LEU 3 HA LEU 3 13.159 -0.030 -14.134 21 HB2 LEU 3 1HB LEU 3 12.849 0.157 -16.600 22 HB3 LEU 3 2HB LEU 3 12.032 -1.407 -16.585 23 HG LEU 3 HG LEU 3 10.425 -0.427 -14.877 24 HD11 LEU 3 1HD1 LEU 3 10.365 2.183 -15.162 25 HD12 LEU 3 2HD1 LEU 3 12.067 1.990 -15.581 26 HD13 LEU 3 3HD1 LEU 3 11.483 1.464 -14.002 27 HD21 LEU 3 1HD2 LEU 3 9.234 0.976 -16.646 28 HD22 LEU 3 2HD2 LEU 3 9.664 -0.661 -17.140 29 HD23 LEU 3 3HD2 LEU 3 10.639 0.706 -17.678 30 H LEU 4 H LEU 4 12.836 -3.406 -15.181 31 HA LEU 4 HA LEU 4 10.544 -4.035 -13.657 32 HB2 LEU 4 1HB LEU 4 11.473 -5.448 -15.489 33 HB3 LEU 4 2HB LEU 4 12.812 -5.886 -14.428 34 HG LEU 4 HG LEU 4 11.080 -6.692 -12.754 35 HD11 LEU 4 1HD1 LEU 4 8.872 -7.314 -14.005 36 HD12 LEU 4 2HD1 LEU 4 9.330 -6.014 -15.108 37 HD13 LEU 4 3HD1 LEU 4 9.069 -5.670 -13.398 38 HD21 LEU 4 1HD2 LEU 4 11.269 -7.982 -15.492 39 HD22 LEU 4 2HD2 LEU 4 10.595 -8.788 -14.075 40 HD23 LEU 4 3HD2 LEU 4 12.291 -8.306 -14.092 41 H GLU 5 H GLU 5 13.999 -4.136 -12.888 42 HA GLU 5 HA GLU 5 13.776 -5.414 -10.379 43 HB2 GLU 5 1HB GLU 5 15.859 -3.478 -11.411 44 HB3 GLU 5 2HB GLU 5 16.023 -4.448 -9.946 45 HG2 GLU 5 1HG GLU 5 15.586 -5.554 -12.734 46 HG3 GLU 5 2HG GLU 5 17.129 -5.520 -11.890 47 H GLY 6 H GLY 6 13.475 -2.028 -11.334 48 HA2 GLY 6 1HA GLY 6 12.491 -0.279 -10.168 49 HA3 GLY 6 2HA GLY 6 12.219 -1.375 -8.815 50 H GLU 7 H GLU 7 15.273 -0.609 -10.442 51 HA GLU 7 HA GLU 7 16.752 -0.385 -8.060 52 HB2 GLU 7 1HB GLU 7 17.720 -0.812 -10.317 53 HB3 GLU 7 2HB GLU 7 17.386 0.867 -10.742 54 HG2 GLU 7 1HG GLU 7 19.675 0.774 -10.022 55 HG3 GLU 7 2HG GLU 7 18.761 1.553 -8.736 56 H ILE 8 H ILE 8 17.352 1.326 -6.806 57 HA ILE 8 HA ILE 8 16.009 3.912 -7.347 58 HB ILE 8 HB ILE 8 16.255 4.297 -4.876 59 HG12 ILE 8 1HG1 ILE 8 17.920 2.350 -4.649 60 HG13 ILE 8 2HG1 ILE 8 16.738 2.579 -3.377 61 HG21 ILE 8 1HG2 ILE 8 14.094 3.915 -5.749 62 HG22 ILE 8 2HG2 ILE 8 14.235 2.866 -4.338 63 HG23 ILE 8 3HG2 ILE 8 14.396 2.191 -5.960 64 HD11 ILE 8 1HD1 ILE 8 17.279 0.197 -4.686 65 HD12 ILE 8 2HD1 ILE 8 15.795 0.736 -5.466 66 HD13 ILE 8 3HD1 ILE 8 15.846 0.530 -3.718 67 HA PRO 9 HA PRO 9 19.861 6.001 -7.581 68 HB2 PRO 9 1HB PRO 9 19.070 7.835 -5.372 69 HB3 PRO 9 2HB PRO 9 19.580 8.213 -7.029 70 HG2 PRO 9 1HG PRO 9 17.041 8.426 -6.276 71 HG3 PRO 9 2HG PRO 9 17.488 7.873 -7.900 72 HD2 PRO 9 1HD PRO 9 16.479 6.274 -5.584 73 HD3 PRO 9 2HD PRO 9 16.202 6.042 -7.325 74 H PHE 10 H PHE 10 21.267 4.420 -6.779 75 HA PHE 10 HA PHE 10 22.793 3.477 -5.346 76 HB2 PHE 10 1HB PHE 10 22.510 6.068 -3.826 77 HB3 PHE 10 2HB PHE 10 23.865 4.956 -3.771 78 HD1 PHE 10 HD1 PHE 10 25.153 4.557 -5.990 79 HD2 PHE 10 HD2 PHE 10 22.484 7.857 -5.329 80 HE1 PHE 10 HE1 PHE 10 26.225 5.796 -7.851 81 HE2 PHE 10 HE2 PHE 10 23.558 9.097 -7.190 82 HZ PHE 10 HZ PHE 10 25.428 8.067 -8.450 83 HA PRO 11 HA PRO 11 19.387 2.195 -2.473 84 HB2 PRO 11 1HB PRO 11 20.845 -0.392 -2.624 85 HB3 PRO 11 2HB PRO 11 19.114 -0.055 -2.820 86 HG2 PRO 11 1HG PRO 11 20.671 -0.664 -4.894 87 HG3 PRO 11 2HG PRO 11 19.329 0.488 -5.032 88 HD2 PRO 11 1HD PRO 11 22.268 1.036 -4.886 89 HD3 PRO 11 2HD PRO 11 21.003 1.891 -5.797 90 HA PRO 12 HA PRO 12 21.730 2.799 1.243 91 HB2 PRO 12 1HB PRO 12 20.128 0.647 2.541 92 HB3 PRO 12 2HB PRO 12 20.380 2.330 3.045 93 HG2 PRO 12 1HG PRO 12 18.077 1.529 1.987 94 HG3 PRO 12 2HG PRO 12 18.747 3.137 1.654 95 HD2 PRO 12 1HD PRO 12 18.669 0.733 -0.119 96 HD3 PRO 12 2HD PRO 12 18.562 2.455 -0.545 97 H THR 13 H THR 13 20.883 -0.672 1.141 98 HA THR 13 HA THR 13 23.157 -1.648 2.392 99 HB THR 13 HB THR 13 21.616 -3.037 0.193 100 HG1 THR 13 HG1 THR 13 20.190 -2.320 1.737 101 HG21 THR 13 1HG2 THR 13 22.267 -5.067 1.464 102 HG22 THR 13 2HG2 THR 13 23.214 -4.060 2.558 103 HG23 THR 13 3HG2 THR 13 23.673 -4.191 0.860 104 H SER 14 H SER 14 22.932 -0.383 -0.838 105 HA SER 14 HA SER 14 24.955 -2.153 -1.950 106 HB2 SER 14 1HB SER 14 23.045 -1.301 -3.327 107 HB3 SER 14 2HB SER 14 23.698 0.326 -3.156 108 HG SER 14 HG SER 14 25.240 -0.160 -4.529 109 H ILE 15 H ILE 15 24.602 1.333 -1.427 110 HA ILE 15 HA ILE 15 27.327 1.989 -1.829 111 HB ILE 15 HB ILE 15 25.509 3.659 -1.879 112 HG12 ILE 15 1HG1 ILE 15 27.446 4.311 0.349 113 HG13 ILE 15 2HG1 ILE 15 27.944 4.207 -1.340 114 HG21 ILE 15 1HG2 ILE 15 24.537 4.473 0.225 115 HG22 ILE 15 2HG2 ILE 15 25.435 3.251 1.125 116 HG23 ILE 15 3HG2 ILE 15 24.171 2.763 -0.004 117 HD11 ILE 15 1HD1 ILE 15 26.463 5.984 -1.977 118 HD12 ILE 15 2HD1 ILE 15 27.331 6.540 -0.545 119 HD13 ILE 15 3HD1 ILE 15 25.668 5.968 -0.402 120 H LEU 16 H LEU 16 25.492 0.905 0.988 121 HA LEU 16 HA LEU 16 27.521 1.373 2.927 122 HB2 LEU 16 1HB LEU 16 25.249 -0.623 2.860 123 HB3 LEU 16 2HB LEU 16 26.273 -0.337 4.266 124 HG LEU 16 HG LEU 16 24.875 1.956 2.904 125 HD11 LEU 16 1HD1 LEU 16 23.229 0.116 3.528 126 HD12 LEU 16 2HD1 LEU 16 22.955 1.668 4.318 127 HD13 LEU 16 3HD1 LEU 16 23.727 0.352 5.203 128 HD21 LEU 16 1HD2 LEU 16 25.440 1.622 5.840 129 HD22 LEU 16 2HD2 LEU 16 25.330 3.105 4.892 130 HD23 LEU 16 3HD2 LEU 16 26.749 2.071 4.748 131 H LEU 17 H LEU 17 26.898 -1.276 0.682 132 HA LEU 17 HA LEU 17 28.597 -3.186 1.925 133 HB2 LEU 17 1HB LEU 17 26.783 -3.392 -0.013 134 HB3 LEU 17 2HB LEU 17 28.191 -3.176 -1.041 135 HG LEU 17 HG LEU 17 27.800 -5.544 -0.733 136 HD11 LEU 17 1HD1 LEU 17 29.950 -6.218 -0.172 137 HD12 LEU 17 2HD1 LEU 17 30.082 -5.058 1.149 138 HD13 LEU 17 3HD1 LEU 17 30.204 -4.509 -0.524 139 HD21 LEU 17 1HD2 LEU 17 28.187 -5.233 2.238 140 HD22 LEU 17 2HD2 LEU 17 27.533 -6.609 1.351 141 HD23 LEU 17 3HD2 LEU 17 26.586 -5.129 1.508 142 H LEU 18 H LEU 18 29.109 -0.910 -0.754 143 HA LEU 18 HA LEU 18 31.793 -1.609 -1.281 144 HB2 LEU 18 1HB LEU 18 30.188 0.892 -1.769 145 HB3 LEU 18 2HB LEU 18 31.901 0.807 -2.181 146 HG LEU 18 HG LEU 18 31.247 -1.420 -3.381 147 HD11 LEU 18 1HD1 LEU 18 28.588 -0.008 -3.067 148 HD12 LEU 18 2HD1 LEU 18 28.989 -1.663 -2.610 149 HD13 LEU 18 3HD1 LEU 18 28.889 -1.219 -4.313 150 HD21 LEU 18 1HD2 LEU 18 32.017 0.634 -4.522 151 HD22 LEU 18 2HD2 LEU 18 30.377 1.280 -4.464 152 HD23 LEU 18 3HD2 LEU 18 30.727 -0.148 -5.436 153 H LEU 19 H LEU 19 30.355 0.800 0.896 154 HA LEU 19 HA LEU 19 32.740 1.966 1.818 155 HB2 LEU 19 1HB LEU 19 30.388 2.771 2.244 156 HB3 LEU 19 2HB LEU 19 30.244 1.505 3.462 157 HG LEU 19 HG LEU 19 32.615 3.342 3.585 158 HD11 LEU 19 1HD1 LEU 19 31.383 5.015 4.810 159 HD12 LEU 19 2HD1 LEU 19 29.908 4.052 4.745 160 HD13 LEU 19 3HD1 LEU 19 30.558 4.772 3.271 161 HD21 LEU 19 1HD2 LEU 19 32.733 1.716 5.252 162 HD22 LEU 19 2HD2 LEU 19 30.983 1.640 5.445 163 HD23 LEU 19 3HD2 LEU 19 31.886 3.001 6.109 164 H ALA 20 H ALA 20 31.010 -0.943 2.863 165 HA ALA 20 HA ALA 20 32.485 -1.416 5.222 166 HB1 ALA 20 1HB ALA 20 30.335 -2.532 4.637 167 HB2 ALA 20 2HB ALA 20 31.591 -3.670 5.125 168 HB3 ALA 20 3HB ALA 20 31.192 -3.473 3.418 169 H CYS 21 H CYS 21 32.972 -2.533 1.885 170 HA CYS 21 HA CYS 21 35.083 -4.319 2.430 171 HB2 CYS 21 1HB CYS 21 34.434 -2.765 -0.085 172 HB3 CYS 21 2HB CYS 21 35.605 -4.081 0.004 173 HG CYS 21 HG CYS 21 33.359 -5.453 1.007 174 H ILE 22 H ILE 22 35.118 -0.910 1.402 175 HA ILE 22 HA ILE 22 37.934 -0.739 1.205 176 HB ILE 22 HB ILE 22 37.588 1.723 1.233 177 HG12 ILE 22 1HG1 ILE 22 34.662 0.996 1.576 178 HG13 ILE 22 2HG1 ILE 22 35.661 1.706 2.844 179 HG21 ILE 22 1HG2 ILE 22 36.511 1.763 -0.885 180 HG22 ILE 22 2HG2 ILE 22 35.523 0.354 -0.498 181 HG23 ILE 22 3HG2 ILE 22 37.254 0.168 -0.781 182 HD11 ILE 22 1HD1 ILE 22 36.102 3.661 1.396 183 HD12 ILE 22 2HD1 ILE 22 34.376 3.453 1.693 184 HD13 ILE 22 3HD1 ILE 22 35.071 2.960 0.149 185 H PHE 23 H PHE 23 35.743 -0.171 3.925 186 HA PHE 23 HA PHE 23 37.604 1.068 5.642 187 HB2 PHE 23 1HB PHE 23 35.150 0.998 5.998 188 HB3 PHE 23 2HB PHE 23 35.272 -0.713 6.356 189 HD1 PHE 23 HD1 PHE 23 36.350 2.668 7.488 190 HD2 PHE 23 HD2 PHE 23 35.818 -1.464 8.535 191 HE1 PHE 23 HE1 PHE 23 36.774 3.217 9.870 192 HE2 PHE 23 HE2 PHE 23 36.243 -0.916 10.916 193 HZ PHE 23 HZ PHE 23 36.722 1.425 11.584 194 H LEU 24 H LEU 24 36.667 -2.346 5.277 195 HA LEU 24 HA LEU 24 38.229 -3.309 7.422 196 HB2 LEU 24 1HB LEU 24 36.362 -4.559 6.345 197 HB3 LEU 24 2HB LEU 24 37.387 -4.812 4.933 198 HG LEU 24 HG LEU 24 39.088 -5.876 6.489 199 HD11 LEU 24 1HD1 LEU 24 36.789 -5.424 8.380 200 HD12 LEU 24 2HD1 LEU 24 38.510 -5.139 8.641 201 HD13 LEU 24 3HD1 LEU 24 37.883 -6.787 8.622 202 HD21 LEU 24 1HD2 LEU 24 36.332 -7.041 6.064 203 HD22 LEU 24 2HD2 LEU 24 37.632 -7.982 6.793 204 HD23 LEU 24 3HD2 LEU 24 37.806 -7.362 5.151 205 H ILE 25 H ILE 25 38.918 -3.094 3.931 206 HA ILE 25 HA ILE 25 41.386 -4.479 4.109 207 HB ILE 25 HB ILE 25 40.114 -4.260 2.013 208 HG12 ILE 25 1HG1 ILE 25 42.841 -2.991 1.707 209 HG13 ILE 25 2HG1 ILE 25 42.630 -4.688 2.142 210 HG21 ILE 25 1HG2 ILE 25 39.438 -1.890 2.299 211 HG22 ILE 25 2HG2 ILE 25 40.190 -2.186 0.734 212 HG23 ILE 25 3HG2 ILE 25 41.107 -1.396 2.014 213 HD11 ILE 25 1HD1 ILE 25 41.355 -5.091 0.097 214 HD12 ILE 25 2HD1 ILE 25 42.912 -4.374 -0.312 215 HD13 ILE 25 3HD1 ILE 25 41.454 -3.383 -0.328 216 H LYS 26 H LYS 26 40.615 -1.006 4.237 217 HA LYS 26 HA LYS 26 43.256 -0.060 4.065 218 HB2 LYS 26 1HB LYS 26 40.801 1.092 5.391 219 HB3 LYS 26 2HB LYS 26 42.334 1.956 5.289 220 HG2 LYS 26 1HG LYS 26 42.295 1.885 2.876 221 HG3 LYS 26 2HG LYS 26 40.884 0.829 2.879 222 HD2 LYS 26 1HD LYS 26 40.115 3.074 2.427 223 HD3 LYS 26 2HD LYS 26 39.618 2.660 4.067 224 HE2 LYS 26 1HE LYS 26 42.265 4.011 3.664 225 HE3 LYS 26 2HE LYS 26 40.794 4.977 3.576 226 HZ1 LYS 26 1HZ LYS 26 40.428 3.405 5.771 227 HZ2 LYS 26 2HZ LYS 26 40.892 5.039 5.780 228 HZ3 LYS 26 3HZ LYS 26 42.070 3.818 5.857 229 H ILE 27 H ILE 27 41.337 -1.103 6.857 230 HA ILE 27 HA ILE 27 43.244 -0.361 8.822 231 HB ILE 27 HB ILE 27 41.140 -2.539 8.949 232 HG12 ILE 27 1HG1 ILE 27 40.999 0.327 9.925 233 HG13 ILE 27 2HG1 ILE 27 40.352 -0.189 8.370 234 HG21 ILE 27 1HG2 ILE 27 42.682 -1.044 11.095 235 HG22 ILE 27 2HG2 ILE 27 42.763 -2.773 10.752 236 HG23 ILE 27 3HG2 ILE 27 41.285 -2.074 11.413 237 HD11 ILE 27 1HD1 ILE 27 38.601 -1.331 9.319 238 HD12 ILE 27 2HD1 ILE 27 38.853 -0.138 10.592 239 HD13 ILE 27 3HD1 ILE 27 39.512 -1.763 10.766 240 H LEU 28 H LEU 28 42.610 -3.473 7.213 241 HA LEU 28 HA LEU 28 44.509 -4.984 8.624 242 HB2 LEU 28 1HB LEU 28 43.458 -5.373 5.814 243 HB3 LEU 28 2HB LEU 28 44.331 -6.586 6.750 244 HG LEU 28 HG LEU 28 41.752 -5.283 7.664 245 HD11 LEU 28 1HD1 LEU 28 41.269 -6.616 5.702 246 HD12 LEU 28 2HD1 LEU 28 40.766 -7.539 7.118 247 HD13 LEU 28 3HD1 LEU 28 42.275 -7.937 6.296 248 HD21 LEU 28 1HD2 LEU 28 42.974 -6.098 9.547 249 HD22 LEU 28 2HD2 LEU 28 43.476 -7.551 8.682 250 HD23 LEU 28 3HD2 LEU 28 41.794 -7.355 9.176 251 H ALA 29 H ALA 29 44.873 -2.902 5.826 252 HA ALA 29 HA ALA 29 47.141 -3.768 4.610 253 HB1 ALA 29 1HB ALA 29 47.625 -1.389 4.080 254 HB2 ALA 29 2HB ALA 29 46.407 -0.910 5.262 255 HB3 ALA 29 3HB ALA 29 45.934 -1.823 3.829 256 H ALA 30 H ALA 30 47.012 -2.196 7.771 257 HA ALA 30 HA ALA 30 49.591 -3.156 8.470 258 HB1 ALA 30 1HB ALA 30 49.621 -0.172 8.290 259 HB2 ALA 30 2HB ALA 30 49.971 -1.120 6.844 260 HB3 ALA 30 3HB ALA 30 50.967 -1.311 8.288 261 H SER 31 H SER 31 47.005 -0.831 9.089 262 HA SER 31 HA SER 31 47.725 0.003 11.649 263 HB2 SER 31 1HB SER 31 44.917 -0.467 10.622 264 HB3 SER 31 2HB SER 31 45.381 0.577 11.961 265 HG SER 31 HG SER 31 46.493 1.875 10.513 266 H ALA 32 H ALA 32 45.990 -2.913 10.636 267 HA ALA 32 HA ALA 32 45.154 -3.720 13.216 268 HB1 ALA 32 1HB ALA 32 45.582 -5.208 10.629 269 HB2 ALA 32 2HB ALA 32 44.059 -4.741 11.385 270 HB3 ALA 32 3HB ALA 32 45.041 -6.022 12.096 271 H LEU 33 H LEU 33 48.013 -4.593 11.272 272 HA LEU 33 HA LEU 33 49.032 -6.535 13.033 273 HB2 LEU 33 1HB LEU 33 49.782 -6.196 10.682 274 HB3 LEU 33 2HB LEU 33 50.607 -4.723 11.191 275 HG LEU 33 HG LEU 33 51.861 -6.140 12.887 276 HD11 LEU 33 1HD1 LEU 33 51.936 -8.620 12.097 277 HD12 LEU 33 2HD1 LEU 33 50.377 -8.267 11.352 278 HD13 LEU 33 3HD1 LEU 33 50.578 -8.103 13.096 279 HD21 LEU 33 1HD2 LEU 33 52.175 -6.772 9.935 280 HD22 LEU 33 2HD2 LEU 33 53.400 -7.082 11.165 281 HD23 LEU 33 3HD2 LEU 33 52.918 -5.426 10.797 282 H TRP 34 H TRP 34 49.505 -3.030 12.901 283 HA TRP 34 HA TRP 34 51.612 -2.904 14.784 284 HB2 TRP 34 1HB TRP 34 50.941 -1.092 13.191 285 HB3 TRP 34 2HB TRP 34 49.547 -0.782 14.208 286 HD1 TRP 34 HD1 TRP 34 49.875 0.815 16.179 287 HE1 TRP 34 HE1 TRP 34 51.900 2.006 17.238 288 HE3 TRP 34 HE3 TRP 34 53.671 -1.491 13.659 289 HZ2 TRP 34 HZ2 TRP 34 54.758 1.985 17.043 290 HZ3 TRP 34 HZ3 TRP 34 56.028 -0.889 14.113 291 HH2 TRP 34 HH2 TRP 34 56.579 0.843 15.797 292 H ALA 35 H ALA 35 48.094 -2.495 15.159 293 HA ALA 35 HA ALA 35 48.143 -1.877 17.911 294 HB1 ALA 35 1HB ALA 35 45.976 -3.143 16.221 295 HB2 ALA 35 2HB ALA 35 46.171 -1.428 16.582 296 HB3 ALA 35 3HB ALA 35 45.740 -2.556 17.867 297 H ALA 36 H ALA 36 47.804 -4.969 16.213 298 HA ALA 36 HA ALA 36 47.333 -6.584 18.467 299 HB1 ALA 36 1HB ALA 36 48.456 -7.137 15.731 300 HB2 ALA 36 2HB ALA 36 46.872 -7.561 16.380 301 HB3 ALA 36 3HB ALA 36 48.310 -8.411 16.942 302 H ALA 37 H ALA 37 50.327 -5.319 17.117 303 HA ALA 37 HA ALA 37 52.151 -7.113 18.261 304 HB1 ALA 37 1HB ALA 37 52.499 -4.148 17.752 305 HB2 ALA 37 2HB ALA 37 52.787 -5.435 16.580 306 HB3 ALA 37 3HB ALA 37 53.802 -5.306 18.017 307 H TRP 38 H TRP 38 50.692 -4.158 19.592 308 HA TRP 38 HA TRP 38 52.172 -4.162 22.014 309 HB2 TRP 38 1HB TRP 38 49.520 -2.950 21.258 310 HB3 TRP 38 2HB TRP 38 50.252 -2.727 22.835 311 HD1 TRP 38 HD1 TRP 38 50.197 -1.350 19.404 312 HE1 TRP 38 HE1 TRP 38 51.994 0.478 19.140 313 HE3 TRP 38 HE3 TRP 38 52.881 -2.132 23.676 314 HZ2 TRP 38 HZ2 TRP 38 54.275 1.478 20.556 315 HZ3 TRP 38 HZ3 TRP 38 54.856 -0.733 24.194 316 HH2 TRP 38 HH2 TRP 38 55.558 1.069 22.643 317 H HIS 39 H HIS 39 48.951 -5.421 21.179 318 HA HIS 39 HA HIS 39 49.060 -7.101 23.618 319 HB2 HIS 39 1HB HIS 39 47.444 -5.252 23.875 320 HB3 HIS 39 2HB HIS 39 46.622 -5.780 22.419 321 HD1 HIS 39 HD1 HIS 39 47.617 -7.310 25.777 322 HD2 HIS 39 HD2 HIS 39 44.505 -7.436 23.005 323 HE1 HIS 39 HE1 HIS 39 45.849 -8.836 26.754 324 H GLY 40 H GLY 40 48.961 -9.209 23.194 325 HA2 GLY 40 1HA GLY 40 47.276 -10.247 21.080 326 HA3 GLY 40 2HA GLY 40 49.001 -10.449 20.789 327 H GLN 41 H GLN 41 46.467 -12.135 21.730 328 HA GLN 41 HA GLN 41 47.958 -13.711 23.753 329 HB2 GLN 41 1HB GLN 41 44.970 -13.374 23.404 330 HB3 GLN 41 2HB GLN 41 45.733 -14.484 24.543 331 HG2 GLN 41 1HG GLN 41 46.834 -12.619 25.676 332 HG3 GLN 41 2HG GLN 41 46.169 -11.485 24.504 333 HE21 GLN 41 1HE2 GLN 41 45.630 -11.234 27.308 334 HE22 GLN 41 2HE2 GLN 41 43.979 -11.536 27.559 335 H LYS 42 H LYS 42 47.786 -15.996 23.613 336 HA LYS 42 HA LYS 42 46.897 -17.016 20.976 337 HB2 LYS 42 1HB LYS 42 49.379 -17.783 22.532 338 HB3 LYS 42 2HB LYS 42 48.815 -18.587 21.067 339 HG2 LYS 42 1HG LYS 42 48.867 -16.260 19.972 340 HG3 LYS 42 2HG LYS 42 49.813 -15.753 21.372 341 HD2 LYS 42 1HD LYS 42 50.538 -18.093 19.587 342 HD3 LYS 42 2HD LYS 42 51.232 -16.478 19.438 343 HE2 LYS 42 1HE LYS 42 51.965 -16.651 21.841 344 HE3 LYS 42 2HE LYS 42 51.435 -18.333 21.824 345 HZ1 LYS 42 1HZ LYS 42 53.646 -17.070 20.345 346 HZ2 LYS 42 2HZ LYS 42 52.917 -18.480 19.740 347 HZ3 LYS 42 3HZ LYS 42 53.653 -18.491 21.271 348 HA PRO 43 HA PRO 43 44.989 -19.596 24.284 349 HB2 PRO 43 1HB PRO 43 42.397 -19.428 23.531 350 HB3 PRO 43 2HB PRO 43 43.177 -18.162 24.503 351 HG2 PRO 43 1HG PRO 43 42.488 -18.178 21.626 352 HG3 PRO 43 2HG PRO 43 42.511 -16.836 22.780 353 HD2 PRO 43 1HD PRO 43 44.519 -17.406 20.905 354 HD3 PRO 43 2HD PRO 43 44.680 -16.327 22.305 355 H GLY 44 H GLY 44 43.753 -19.530 20.927 356 HA2 GLY 44 1HA GLY 44 43.465 -22.426 20.892 357 HA3 GLY 44 2HA GLY 44 43.047 -21.314 19.590 358 H THR 45 H THR 45 44.193 -23.292 18.519 359 HA THR 45 HA THR 45 47.080 -22.660 18.258 360 HB THR 45 HB THR 45 45.770 -25.343 17.768 361 HG1 THR 45 HG1 THR 45 47.255 -24.394 19.991 362 HG21 THR 45 1HG2 THR 45 48.049 -24.537 16.701 363 HG22 THR 45 2HG2 THR 45 47.912 -26.154 17.388 364 HG23 THR 45 3HG2 THR 45 48.677 -24.864 18.316 365 H HIS 46 H HIS 46 47.863 -22.322 16.236 366 HA HIS 46 HA HIS 46 47.834 -21.791 14.003 367 HB2 HIS 46 1HB HIS 46 45.894 -24.104 13.982 368 HB3 HIS 46 2HB HIS 46 46.529 -23.342 12.536 369 HD1 HIS 46 HD1 HIS 46 47.306 -25.853 15.114 370 HD2 HIS 46 HD2 HIS 46 49.416 -23.746 12.201 371 HE1 HIS 46 HE1 HIS 46 49.523 -27.042 14.837 Start of MODEL 19 1 H ARG 1 3H ARG 1 5.470 3.417 6.707 2 HA ARG 1 HA ARG 1 5.832 5.503 6.090 3 HB2 ARG 1 1HB ARG 1 7.489 5.628 7.965 4 HB3 ARG 1 2HB ARG 1 8.748 5.127 6.835 5 HG2 ARG 1 1HG ARG 1 8.232 7.094 5.412 6 HG3 ARG 1 2HG ARG 1 7.029 7.613 6.594 7 HD2 ARG 1 1HD ARG 1 8.825 7.682 8.328 8 HD3 ARG 1 2HD ARG 1 10.003 7.298 7.076 9 HE ARG 1 HE ARG 1 8.696 9.844 7.511 10 HH11 ARG 1 1HH1 ARG 1 10.387 7.863 5.157 11 HH12 ARG 1 2HH1 ARG 1 10.856 9.228 4.199 12 HH21 ARG 1 1HH2 ARG 1 9.330 11.561 6.237 13 HH22 ARG 1 2HH2 ARG 1 10.264 11.294 4.803 14 H SER 2 H SER 2 8.747 3.623 5.220 15 HA SER 2 HA SER 2 9.218 4.809 2.736 16 HB2 SER 2 1HB SER 2 9.761 1.940 3.524 17 HB3 SER 2 2HB SER 2 10.534 2.827 2.215 18 HG SER 2 HG SER 2 10.927 2.943 4.947 19 H LEU 3 H LEU 3 6.935 2.273 3.622 20 HA LEU 3 HA LEU 3 6.357 1.236 1.091 21 HB2 LEU 3 1HB LEU 3 5.518 0.316 3.248 22 HB3 LEU 3 2HB LEU 3 4.404 1.678 3.361 23 HG LEU 3 HG LEU 3 3.503 0.993 1.087 24 HD11 LEU 3 1HD1 LEU 3 3.942 -1.476 0.575 25 HD12 LEU 3 2HD1 LEU 3 5.303 -1.361 1.691 26 HD13 LEU 3 3HD1 LEU 3 5.271 -0.368 0.234 27 HD21 LEU 3 1HD2 LEU 3 2.031 -0.647 2.024 28 HD22 LEU 3 2HD2 LEU 3 2.488 0.410 3.359 29 HD23 LEU 3 3HD2 LEU 3 3.248 -1.173 3.188 30 H LEU 4 H LEU 4 5.107 4.124 2.727 31 HA LEU 4 HA LEU 4 3.099 4.787 0.871 32 HB2 LEU 4 1HB LEU 4 3.801 5.812 3.226 33 HB3 LEU 4 2HB LEU 4 4.689 6.938 2.212 34 HG LEU 4 HG LEU 4 2.515 7.877 2.704 35 HD11 LEU 4 1HD1 LEU 4 2.136 6.877 -0.099 36 HD12 LEU 4 2HD1 LEU 4 3.503 7.925 0.279 37 HD13 LEU 4 3HD1 LEU 4 1.855 8.489 0.558 38 HD21 LEU 4 1HD2 LEU 4 1.181 5.536 1.356 39 HD22 LEU 4 2HD2 LEU 4 0.462 6.765 2.397 40 HD23 LEU 4 3HD2 LEU 4 1.510 5.527 3.089 41 H GLU 5 H GLU 5 6.556 5.575 0.968 42 HA GLU 5 HA GLU 5 6.578 7.326 -1.253 43 HB2 GLU 5 1HB GLU 5 8.762 5.558 -0.130 44 HB3 GLU 5 2HB GLU 5 9.014 6.835 -1.320 45 HG2 GLU 5 1HG GLU 5 8.041 8.476 0.278 46 HG3 GLU 5 2HG GLU 5 7.891 7.194 1.472 47 H GLY 6 H GLY 6 6.851 3.811 -0.997 48 HA2 GLY 6 1HA GLY 6 6.203 2.315 -2.717 49 HA3 GLY 6 2HA GLY 6 6.414 3.608 -3.892 50 H GLU 7 H GLU 7 9.014 4.447 -3.036 51 HA GLU 7 HA GLU 7 10.652 2.734 -4.553 52 HB2 GLU 7 1HB GLU 7 11.416 4.801 -2.476 53 HB3 GLU 7 2HB GLU 7 12.531 4.060 -3.624 54 HG2 GLU 7 1HG GLU 7 11.130 4.915 -5.493 55 HG3 GLU 7 2HG GLU 7 10.093 5.718 -4.322 56 H ILE 8 H ILE 8 12.108 1.149 -4.007 57 HA ILE 8 HA ILE 8 11.713 -0.081 -1.376 58 HB ILE 8 HB ILE 8 12.903 -2.013 -2.370 59 HG12 ILE 8 1HG1 ILE 8 12.865 -0.417 -4.945 60 HG13 ILE 8 2HG1 ILE 8 14.297 -0.557 -3.926 61 HG21 ILE 8 1HG2 ILE 8 10.576 -0.813 -3.886 62 HG22 ILE 8 2HG2 ILE 8 10.524 -2.023 -2.605 63 HG23 ILE 8 3HG2 ILE 8 11.165 -2.447 -4.192 64 HD11 ILE 8 1HD1 ILE 8 14.389 -2.255 -5.676 65 HD12 ILE 8 2HD1 ILE 8 12.790 -2.844 -5.224 66 HD13 ILE 8 3HD1 ILE 8 14.147 -3.039 -4.115 67 HA PRO 9 HA PRO 9 15.721 1.289 -0.077 68 HB2 PRO 9 1HB PRO 9 16.244 -0.365 1.992 69 HB3 PRO 9 2HB PRO 9 14.934 0.832 2.059 70 HG2 PRO 9 1HG PRO 9 14.797 -2.097 1.648 71 HG3 PRO 9 2HG PRO 9 13.671 -1.015 2.483 72 HD2 PRO 9 1HD PRO 9 13.354 -2.000 -0.127 73 HD3 PRO 9 2HD PRO 9 12.465 -0.638 0.586 74 H PHE 10 H PHE 10 16.605 0.475 -2.202 75 HA PHE 10 HA PHE 10 18.315 -1.908 -1.864 76 HB2 PHE 10 1HB PHE 10 16.651 -1.163 -3.973 77 HB3 PHE 10 2HB PHE 10 18.250 -0.769 -4.559 78 HD1 PHE 10 HD1 PHE 10 19.927 -2.530 -4.914 79 HD2 PHE 10 HD2 PHE 10 15.962 -3.445 -3.539 80 HE1 PHE 10 HE1 PHE 10 20.285 -4.920 -5.471 81 HE2 PHE 10 HE2 PHE 10 16.321 -5.836 -4.096 82 HZ PHE 10 HZ PHE 10 18.482 -6.573 -5.061 83 HA PRO 11 HA PRO 11 21.343 1.426 -3.678 84 HB2 PRO 11 1HB PRO 11 20.191 3.964 -2.711 85 HB3 PRO 11 2HB PRO 11 20.913 3.565 -4.276 86 HG2 PRO 11 1HG PRO 11 18.261 3.912 -3.908 87 HG3 PRO 11 2HG PRO 11 18.956 2.878 -5.167 88 HD2 PRO 11 1HD PRO 11 17.599 2.102 -2.643 89 HD3 PRO 11 2HD PRO 11 17.730 1.221 -4.177 90 HA PRO 12 HA PRO 12 21.843 3.421 0.854 91 HB2 PRO 12 1HB PRO 12 19.952 1.476 2.124 92 HB3 PRO 12 2HB PRO 12 20.374 3.127 2.617 93 HG2 PRO 12 1HG PRO 12 18.083 2.580 1.378 94 HG3 PRO 12 2HG PRO 12 18.964 4.092 1.099 95 HD2 PRO 12 1HD PRO 12 18.642 1.760 -0.701 96 HD3 PRO 12 2HD PRO 12 18.977 3.457 -1.095 97 H THR 13 H THR 13 20.819 -0.012 1.053 98 HA THR 13 HA THR 13 23.038 -0.813 2.589 99 HB THR 13 HB THR 13 22.319 -3.102 2.092 100 HG1 THR 13 HG1 THR 13 21.713 -3.164 0.043 101 HG21 THR 13 1HG2 THR 13 20.103 -2.934 3.022 102 HG22 THR 13 2HG2 THR 13 19.916 -1.288 2.414 103 HG23 THR 13 3HG2 THR 13 21.063 -1.625 3.711 104 H SER 14 H SER 14 22.945 -0.134 -0.768 105 HA SER 14 HA SER 14 24.807 -2.242 -1.552 106 HB2 SER 14 1HB SER 14 22.970 -1.486 -3.084 107 HB3 SER 14 2HB SER 14 23.754 0.087 -3.178 108 HG SER 14 HG SER 14 25.521 -0.881 -4.122 109 H ILE 15 H ILE 15 24.681 1.284 -1.425 110 HA ILE 15 HA ILE 15 27.429 1.780 -1.895 111 HB ILE 15 HB ILE 15 25.512 3.408 -0.209 112 HG12 ILE 15 1HG1 ILE 15 24.553 3.018 -2.434 113 HG13 ILE 15 2HG1 ILE 15 25.077 4.690 -2.279 114 HG21 ILE 15 1HG2 ILE 15 27.006 5.284 -0.952 115 HG22 ILE 15 2HG2 ILE 15 28.089 4.080 -1.650 116 HG23 ILE 15 3HG2 ILE 15 27.804 4.108 0.091 117 HD11 ILE 15 1HD1 ILE 15 27.184 4.114 -3.484 118 HD12 ILE 15 2HD1 ILE 15 25.749 3.809 -4.459 119 HD13 ILE 15 3HD1 ILE 15 26.588 2.466 -3.686 120 H LEU 16 H LEU 16 25.537 1.098 1.028 121 HA LEU 16 HA LEU 16 27.595 1.551 2.919 122 HB2 LEU 16 1HB LEU 16 25.187 1.243 3.486 123 HB3 LEU 16 2HB LEU 16 25.347 -0.469 3.093 124 HG LEU 16 HG LEU 16 27.232 -0.572 4.793 125 HD11 LEU 16 1HD1 LEU 16 27.019 1.312 6.542 126 HD12 LEU 16 2HD1 LEU 16 26.199 2.226 5.275 127 HD13 LEU 16 3HD1 LEU 16 27.867 1.700 5.046 128 HD21 LEU 16 1HD2 LEU 16 24.502 0.269 5.823 129 HD22 LEU 16 2HD2 LEU 16 25.694 -0.686 6.705 130 HD23 LEU 16 3HD2 LEU 16 24.918 -1.353 5.268 131 H LEU 17 H LEU 17 26.748 -1.273 0.959 132 HA LEU 17 HA LEU 17 28.406 -3.138 2.310 133 HB2 LEU 17 1HB LEU 17 26.558 -3.752 0.756 134 HB3 LEU 17 2HB LEU 17 27.538 -3.173 -0.589 135 HG LEU 17 HG LEU 17 29.343 -4.793 0.176 136 HD11 LEU 17 1HD1 LEU 17 28.401 -6.727 1.545 137 HD12 LEU 17 2HD1 LEU 17 27.041 -5.674 1.932 138 HD13 LEU 17 3HD1 LEU 17 28.672 -5.228 2.434 139 HD21 LEU 17 1HD2 LEU 17 28.249 -6.722 -0.877 140 HD22 LEU 17 2HD2 LEU 17 27.815 -5.242 -1.735 141 HD23 LEU 17 3HD2 LEU 17 26.667 -5.984 -0.619 142 H LEU 18 H LEU 18 28.917 -1.165 -0.591 143 HA LEU 18 HA LEU 18 31.522 -2.043 -1.193 144 HB2 LEU 18 1HB LEU 18 30.096 -0.667 -2.710 145 HB3 LEU 18 2HB LEU 18 30.368 0.719 -1.654 146 HG LEU 18 HG LEU 18 32.862 0.334 -1.991 147 HD11 LEU 18 1HD1 LEU 18 33.232 -0.883 -4.284 148 HD12 LEU 18 2HD1 LEU 18 31.692 -1.659 -3.916 149 HD13 LEU 18 3HD1 LEU 18 33.059 -1.849 -2.818 150 HD21 LEU 18 1HD2 LEU 18 31.665 2.130 -3.155 151 HD22 LEU 18 2HD2 LEU 18 31.137 0.999 -4.399 152 HD23 LEU 18 3HD2 LEU 18 32.847 1.401 -4.243 153 H LEU 19 H LEU 19 30.336 0.585 0.877 154 HA LEU 19 HA LEU 19 32.816 1.691 1.592 155 HB2 LEU 19 1HB LEU 19 30.595 2.700 2.109 156 HB3 LEU 19 2HB LEU 19 30.354 1.458 3.338 157 HG LEU 19 HG LEU 19 32.538 2.223 4.385 158 HD11 LEU 19 1HD1 LEU 19 33.019 4.699 3.725 159 HD12 LEU 19 2HD1 LEU 19 32.184 4.293 2.226 160 HD13 LEU 19 3HD1 LEU 19 33.643 3.416 2.688 161 HD21 LEU 19 1HD2 LEU 19 31.500 4.146 5.492 162 HD22 LEU 19 2HD2 LEU 19 30.290 2.889 5.235 163 HD23 LEU 19 3HD2 LEU 19 30.333 4.300 4.177 164 H ALA 20 H ALA 20 31.026 -1.063 2.914 165 HA ALA 20 HA ALA 20 32.595 -1.461 5.223 166 HB1 ALA 20 1HB ALA 20 31.527 -3.554 5.419 167 HB2 ALA 20 2HB ALA 20 31.315 -3.705 3.674 168 HB3 ALA 20 3HB ALA 20 30.347 -2.543 4.583 169 H CYS 21 H CYS 21 32.901 -2.763 1.934 170 HA CYS 21 HA CYS 21 34.990 -4.578 2.475 171 HB2 CYS 21 1HB CYS 21 34.265 -3.120 -0.077 172 HB3 CYS 21 2HB CYS 21 35.428 -4.442 0.017 173 HG CYS 21 HG CYS 21 32.394 -4.745 0.105 174 H ILE 22 H ILE 22 35.071 -1.237 1.255 175 HA ILE 22 HA ILE 22 37.869 -1.083 0.931 176 HB ILE 22 HB ILE 22 35.973 1.177 1.606 177 HG12 ILE 22 1HG1 ILE 22 35.175 -0.060 -0.352 178 HG13 ILE 22 2HG1 ILE 22 35.822 1.499 -0.843 179 HG21 ILE 22 1HG2 ILE 22 37.628 2.586 0.479 180 HG22 ILE 22 2HG2 ILE 22 38.641 1.176 0.168 181 HG23 ILE 22 3HG2 ILE 22 38.378 1.724 1.823 182 HD11 ILE 22 1HD1 ILE 22 37.220 -1.185 -1.058 183 HD12 ILE 22 2HD1 ILE 22 37.975 0.361 -1.445 184 HD13 ILE 22 3HD1 ILE 22 36.602 -0.210 -2.388 185 H PHE 23 H PHE 23 35.800 -0.365 3.718 186 HA PHE 23 HA PHE 23 37.739 0.843 5.348 187 HB2 PHE 23 1HB PHE 23 35.258 0.771 5.747 188 HB3 PHE 23 2HB PHE 23 35.446 -0.894 6.261 189 HD1 PHE 23 HD1 PHE 23 36.388 2.617 7.028 190 HD2 PHE 23 HD2 PHE 23 36.187 -1.425 8.467 191 HE1 PHE 23 HE1 PHE 23 36.897 3.410 9.321 192 HE2 PHE 23 HE2 PHE 23 36.698 -0.632 10.761 193 HZ PHE 23 HZ PHE 23 37.052 1.785 11.188 194 H LEU 24 H LEU 24 36.777 -2.558 5.009 195 HA LEU 24 HA LEU 24 38.398 -3.629 7.035 196 HB2 LEU 24 1HB LEU 24 36.609 -4.876 5.829 197 HB3 LEU 24 2HB LEU 24 37.656 -4.944 4.410 198 HG LEU 24 HG LEU 24 39.402 -6.052 5.884 199 HD11 LEU 24 1HD1 LEU 24 37.046 -5.973 7.771 200 HD12 LEU 24 2HD1 LEU 24 38.716 -5.498 8.082 201 HD13 LEU 24 3HD1 LEU 24 38.300 -7.204 7.920 202 HD21 LEU 24 1HD2 LEU 24 38.077 -8.255 5.962 203 HD22 LEU 24 2HD2 LEU 24 38.198 -7.464 4.390 204 HD23 LEU 24 3HD2 LEU 24 36.715 -7.327 5.335 205 H ILE 25 H ILE 25 39.083 -2.984 3.619 206 HA ILE 25 HA ILE 25 41.652 -4.123 3.513 207 HB ILE 25 HB ILE 25 40.601 -1.721 1.990 208 HG12 ILE 25 1HG1 ILE 25 40.658 -4.651 1.210 209 HG13 ILE 25 2HG1 ILE 25 39.229 -3.831 1.839 210 HG21 ILE 25 1HG2 ILE 25 42.829 -3.669 1.311 211 HG22 ILE 25 2HG2 ILE 25 43.078 -2.020 1.886 212 HG23 ILE 25 3HG2 ILE 25 42.300 -2.302 0.329 213 HD11 ILE 25 1HD1 ILE 25 39.470 -2.155 -0.035 214 HD12 ILE 25 2HD1 ILE 25 39.079 -3.790 -0.569 215 HD13 ILE 25 3HD1 ILE 25 40.731 -3.187 -0.711 216 H LYS 26 H LYS 26 40.590 -0.862 4.416 217 HA LYS 26 HA LYS 26 43.120 0.321 4.678 218 HB2 LYS 26 1HB LYS 26 40.562 0.885 6.192 219 HB3 LYS 26 2HB LYS 26 41.988 1.923 6.216 220 HG2 LYS 26 1HG LYS 26 41.833 2.125 3.732 221 HG3 LYS 26 2HG LYS 26 40.334 1.194 3.782 222 HD2 LYS 26 1HD LYS 26 39.372 2.902 5.329 223 HD3 LYS 26 2HD LYS 26 40.840 3.859 5.135 224 HE2 LYS 26 1HE LYS 26 40.294 3.568 2.554 225 HE3 LYS 26 2HE LYS 26 38.657 3.317 3.160 226 HZ1 LYS 26 1HZ LYS 26 40.303 5.612 4.031 227 HZ2 LYS 26 2HZ LYS 26 38.617 5.417 4.136 228 HZ3 LYS 26 3HZ LYS 26 39.353 5.683 2.627 229 H ILE 27 H ILE 27 41.208 -1.562 6.978 230 HA ILE 27 HA ILE 27 42.839 -1.140 9.246 231 HB ILE 27 HB ILE 27 41.154 -3.571 8.581 232 HG12 ILE 27 1HG1 ILE 27 40.422 -1.099 10.179 233 HG13 ILE 27 2HG1 ILE 27 39.953 -1.353 8.498 234 HG21 ILE 27 1HG2 ILE 27 42.110 -2.456 11.239 235 HG22 ILE 27 2HG2 ILE 27 42.732 -3.911 10.462 236 HG23 ILE 27 3HG2 ILE 27 41.063 -3.860 11.026 237 HD11 ILE 27 1HD1 ILE 27 38.148 -2.058 10.024 238 HD12 ILE 27 2HD1 ILE 27 39.253 -3.181 10.814 239 HD13 ILE 27 3HD1 ILE 27 38.790 -3.436 9.131 240 H LEU 28 H LEU 28 42.849 -3.723 6.805 241 HA LEU 28 HA LEU 28 44.847 -5.309 7.989 242 HB2 LEU 28 1HB LEU 28 43.327 -6.050 6.159 243 HB3 LEU 28 2HB LEU 28 44.239 -5.041 5.037 244 HG LEU 28 HG LEU 28 46.319 -6.310 5.755 245 HD11 LEU 28 1HD1 LEU 28 45.705 -8.644 6.683 246 HD12 LEU 28 2HD1 LEU 28 44.175 -7.906 7.159 247 HD13 LEU 28 3HD1 LEU 28 45.693 -7.293 7.816 248 HD21 LEU 28 1HD2 LEU 28 45.804 -8.244 4.327 249 HD22 LEU 28 2HD2 LEU 28 45.105 -6.777 3.641 250 HD23 LEU 28 3HD2 LEU 28 44.078 -7.927 4.499 251 H ALA 29 H ALA 29 45.062 -2.697 5.607 252 HA ALA 29 HA ALA 29 47.839 -2.913 5.119 253 HB1 ALA 29 1HB ALA 29 46.015 -0.504 4.916 254 HB2 ALA 29 2HB ALA 29 46.368 -1.658 3.630 255 HB3 ALA 29 3HB ALA 29 47.643 -0.605 4.242 256 H ALA 30 H ALA 30 45.974 -1.020 7.439 257 HA ALA 30 HA ALA 30 46.510 -0.206 9.500 258 HB1 ALA 30 1HB ALA 30 49.391 -0.983 9.126 259 HB2 ALA 30 2HB ALA 30 48.160 -2.148 9.611 260 HB3 ALA 30 3HB ALA 30 48.499 -0.749 10.629 261 H SER 31 H SER 31 48.280 0.748 6.658 262 HA SER 31 HA SER 31 49.756 2.898 7.684 263 HB2 SER 31 1HB SER 31 49.830 3.717 5.407 264 HB3 SER 31 2HB SER 31 49.966 1.962 5.379 265 HG SER 31 HG SER 31 47.897 3.636 4.558 266 H ALA 32 H ALA 32 46.365 2.669 6.689 267 HA ALA 32 HA ALA 32 45.776 5.426 6.709 268 HB1 ALA 32 1HB ALA 32 44.289 3.692 5.743 269 HB2 ALA 32 2HB ALA 32 43.440 4.739 6.879 270 HB3 ALA 32 3HB ALA 32 43.931 3.119 7.372 271 H LEU 33 H LEU 33 45.507 2.961 9.270 272 HA LEU 33 HA LEU 33 44.350 4.629 11.220 273 HB2 LEU 33 1HB LEU 33 44.471 2.141 11.344 274 HB3 LEU 33 2HB LEU 33 46.195 2.278 11.688 275 HG LEU 33 HG LEU 33 45.585 3.768 13.646 276 HD11 LEU 33 1HD1 LEU 33 43.140 3.265 14.418 277 HD12 LEU 33 2HD1 LEU 33 42.852 2.910 12.714 278 HD13 LEU 33 3HD1 LEU 33 43.403 4.514 13.199 279 HD21 LEU 33 1HD2 LEU 33 44.819 1.839 15.058 280 HD22 LEU 33 2HD2 LEU 33 46.183 1.436 14.016 281 HD23 LEU 33 3HD2 LEU 33 44.556 0.913 13.580 282 H TRP 34 H TRP 34 47.734 4.003 10.391 283 HA TRP 34 HA TRP 34 48.903 5.277 12.617 284 HB2 TRP 34 1HB TRP 34 50.064 3.771 10.985 285 HB3 TRP 34 2HB TRP 34 50.035 5.086 9.826 286 HD1 TRP 34 HD1 TRP 34 51.804 6.972 10.076 287 HE1 TRP 34 HE1 TRP 34 53.853 7.293 11.605 288 HE3 TRP 34 HE3 TRP 34 50.953 3.263 13.481 289 HZ2 TRP 34 HZ2 TRP 34 54.985 6.129 13.963 290 HZ3 TRP 34 HZ3 TRP 34 52.529 2.890 15.353 291 HH2 TRP 34 HH2 TRP 34 54.541 4.315 15.602 292 H ALA 35 H ALA 35 48.095 6.507 9.381 293 HA ALA 35 HA ALA 35 49.135 9.106 9.755 294 HB1 ALA 35 1HB ALA 35 48.634 8.322 7.530 295 HB2 ALA 35 2HB ALA 35 47.609 9.719 7.858 296 HB3 ALA 35 3HB ALA 35 46.935 8.092 7.943 297 H ALA 36 H ALA 36 45.873 7.793 10.229 298 HA ALA 36 HA ALA 36 44.625 10.195 11.006 299 HB1 ALA 36 1HB ALA 36 44.022 7.287 11.377 300 HB2 ALA 36 2HB ALA 36 43.117 8.517 10.496 301 HB3 ALA 36 3HB ALA 36 43.074 8.485 12.258 302 H ALA 37 H ALA 37 46.639 7.957 12.815 303 HA ALA 37 HA ALA 37 45.829 8.496 15.421 304 HB1 ALA 37 1HB ALA 37 48.730 8.154 14.710 305 HB2 ALA 37 2HB ALA 37 47.589 6.821 14.527 306 HB3 ALA 37 3HB ALA 37 47.852 7.544 16.114 307 H TRP 38 H TRP 38 47.844 10.437 13.272 308 HA TRP 38 HA TRP 38 49.059 12.134 15.117 309 HB2 TRP 38 1HB TRP 38 49.492 12.054 12.655 310 HB3 TRP 38 2HB TRP 38 47.991 12.926 12.409 311 HD1 TRP 38 HD1 TRP 38 48.082 15.481 12.554 312 HE1 TRP 38 HE1 TRP 38 49.902 17.202 13.158 313 HE3 TRP 38 HE3 TRP 38 51.704 12.348 14.327 314 HZ2 TRP 38 HZ2 TRP 38 52.549 17.246 14.251 315 HZ3 TRP 38 HZ3 TRP 38 53.858 13.252 15.141 316 HH2 TRP 38 HH2 TRP 38 54.288 15.693 15.107 317 H HIS 39 H HIS 39 45.806 12.273 13.728 318 HA HIS 39 HA HIS 39 45.168 14.514 15.561 319 HB2 HIS 39 1HB HIS 39 43.850 13.683 12.974 320 HB3 HIS 39 2HB HIS 39 43.270 14.956 14.028 321 HD1 HIS 39 HD1 HIS 39 45.275 16.886 14.483 322 HD2 HIS 39 HD2 HIS 39 45.448 14.648 10.970 323 HE1 HIS 39 HE1 HIS 39 46.734 18.187 12.876 324 H GLY 40 H GLY 40 43.526 14.281 17.002 325 HA2 GLY 40 1HA GLY 40 42.704 11.725 17.816 326 HA3 GLY 40 2HA GLY 40 41.942 13.235 18.306 327 H GLN 41 H GLN 41 41.531 10.375 16.596 328 HA GLN 41 HA GLN 41 39.268 11.456 15.027 329 HB2 GLN 41 1HB GLN 41 41.036 10.225 13.769 330 HB3 GLN 41 2HB GLN 41 40.668 8.790 14.726 331 HG2 GLN 41 1HG GLN 41 38.353 8.819 13.918 332 HG3 GLN 41 2HG GLN 41 38.674 10.286 13.001 333 HE21 GLN 41 1HE2 GLN 41 37.750 8.176 11.520 334 HE22 GLN 41 2HE2 GLN 41 39.001 7.472 10.614 335 H LYS 42 H LYS 42 37.229 10.781 15.423 336 HA LYS 42 HA LYS 42 36.588 9.544 17.882 337 HB2 LYS 42 1HB LYS 42 34.924 9.996 15.395 338 HB3 LYS 42 2HB LYS 42 34.272 9.434 16.934 339 HG2 LYS 42 1HG LYS 42 35.947 11.927 16.850 340 HG3 LYS 42 2HG LYS 42 34.243 12.000 16.400 341 HD2 LYS 42 1HD LYS 42 35.116 10.676 18.964 342 HD3 LYS 42 2HD LYS 42 34.846 12.418 18.884 343 HE2 LYS 42 1HE LYS 42 32.565 11.833 17.833 344 HE3 LYS 42 2HE LYS 42 32.856 10.197 18.422 345 HZ1 LYS 42 1HZ LYS 42 31.683 12.074 19.877 346 HZ2 LYS 42 2HZ LYS 42 33.299 12.349 20.325 347 HZ3 LYS 42 3HZ LYS 42 32.598 10.819 20.557 348 HA PRO 43 HA PRO 43 36.903 5.273 16.799 349 HB2 PRO 43 1HB PRO 43 35.023 4.095 18.379 350 HB3 PRO 43 2HB PRO 43 36.542 4.751 19.019 351 HG2 PRO 43 1HG PRO 43 33.813 5.922 19.059 352 HG3 PRO 43 2HG PRO 43 35.079 5.960 20.299 353 HD2 PRO 43 1HD PRO 43 34.543 8.071 18.624 354 HD3 PRO 43 2HD PRO 43 36.131 7.782 19.365 355 H GLY 44 H GLY 44 33.470 6.218 17.124 356 HA2 GLY 44 1HA GLY 44 32.813 5.674 14.425 357 HA3 GLY 44 2HA GLY 44 32.370 4.292 15.424 358 H THR 45 H THR 45 30.232 5.153 14.399 359 HA THR 45 HA THR 45 29.055 7.440 15.721 360 HB THR 45 HB THR 45 27.720 5.313 14.029 361 HG1 THR 45 HG1 THR 45 27.961 7.157 12.476 362 HG21 THR 45 1HG2 THR 45 26.023 6.517 15.133 363 HG22 THR 45 2HG2 THR 45 26.195 7.368 13.598 364 HG23 THR 45 3HG2 THR 45 26.926 8.031 15.061 365 H HIS 46 H HIS 46 27.689 7.449 17.435 366 HA HIS 46 HA HIS 46 27.520 5.008 19.014 367 HB2 HIS 46 1HB HIS 46 28.082 7.187 20.052 368 HB3 HIS 46 2HB HIS 46 26.499 7.790 19.601 369 HD1 HIS 46 HD1 HIS 46 24.509 7.096 21.053 370 HD2 HIS 46 HD2 HIS 46 28.071 5.240 22.175 371 HE1 HIS 46 HE1 HIS 46 24.060 5.969 23.275 Start of MODEL 20 1 H ARG 1 3H ARG 1 7.237 4.646 8.933 2 HA ARG 1 HA ARG 1 9.395 3.381 9.337 3 HB2 ARG 1 1HB ARG 1 7.381 1.114 9.440 4 HB3 ARG 1 2HB ARG 1 9.135 0.951 9.439 5 HG2 ARG 1 1HG ARG 1 7.574 2.429 11.575 6 HG3 ARG 1 2HG ARG 1 8.110 0.756 11.724 7 HD2 ARG 1 1HD ARG 1 10.461 1.529 11.357 8 HD3 ARG 1 2HD ARG 1 9.880 3.191 11.365 9 HE ARG 1 HE ARG 1 8.925 2.330 13.700 10 HH11 ARG 1 1HH1 ARG 1 12.120 1.858 12.319 11 HH12 ARG 1 2HH1 ARG 1 12.885 1.770 13.871 12 HH21 ARG 1 1HH2 ARG 1 9.968 2.208 15.668 13 HH22 ARG 1 2HH2 ARG 1 11.681 1.966 15.741 14 H SER 2 H SER 2 10.127 1.946 7.490 15 HA SER 2 HA SER 2 9.323 3.036 5.041 16 HB2 SER 2 1HB SER 2 10.749 1.378 4.012 17 HB3 SER 2 2HB SER 2 11.515 1.947 5.491 18 HG SER 2 HG SER 2 10.547 0.083 6.519 19 H LEU 3 H LEU 3 8.032 0.284 6.786 20 HA LEU 3 HA LEU 3 6.883 -1.172 4.701 21 HB2 LEU 3 1HB LEU 3 6.998 -1.839 7.117 22 HB3 LEU 3 2HB LEU 3 5.666 -0.731 7.435 23 HG LEU 3 HG LEU 3 5.347 -2.742 5.232 24 HD11 LEU 3 1HD1 LEU 3 4.749 -4.505 6.699 25 HD12 LEU 3 2HD1 LEU 3 4.718 -3.437 8.103 26 HD13 LEU 3 3HD1 LEU 3 6.257 -3.877 7.364 27 HD21 LEU 3 1HD2 LEU 3 3.485 -1.334 5.392 28 HD22 LEU 3 2HD2 LEU 3 3.609 -1.206 7.145 29 HD23 LEU 3 3HD2 LEU 3 2.991 -2.684 6.410 30 H LEU 4 H LEU 4 5.619 1.633 6.479 31 HA LEU 4 HA LEU 4 3.067 1.712 5.297 32 HB2 LEU 4 1HB LEU 4 3.861 3.035 7.292 33 HB3 LEU 4 2HB LEU 4 4.700 4.104 6.170 34 HG LEU 4 HG LEU 4 1.797 3.523 5.686 35 HD11 LEU 4 1HD1 LEU 4 1.627 4.100 7.975 36 HD12 LEU 4 2HD1 LEU 4 1.359 5.623 7.126 37 HD13 LEU 4 3HD1 LEU 4 2.927 5.286 7.860 38 HD21 LEU 4 1HD2 LEU 4 2.678 4.880 4.003 39 HD22 LEU 4 2HD2 LEU 4 3.787 5.698 5.102 40 HD23 LEU 4 3HD2 LEU 4 2.069 6.093 5.126 41 H GLU 5 H GLU 5 6.155 3.140 4.301 42 HA GLU 5 HA GLU 5 5.201 4.600 2.086 43 HB2 GLU 5 1HB GLU 5 7.459 4.840 3.137 44 HB3 GLU 5 2HB GLU 5 7.922 3.316 2.380 45 HG2 GLU 5 1HG GLU 5 7.359 4.283 0.158 46 HG3 GLU 5 2HG GLU 5 6.994 5.814 0.938 47 H GLY 6 H GLY 6 6.184 1.222 2.421 48 HA2 GLY 6 1HA GLY 6 5.588 -0.580 1.082 49 HA3 GLY 6 2HA GLY 6 4.802 0.537 -0.026 50 H GLU 7 H GLU 7 8.146 0.967 0.970 51 HA GLU 7 HA GLU 7 9.048 0.009 -1.685 52 HB2 GLU 7 1HB GLU 7 9.992 2.472 -0.199 53 HB3 GLU 7 2HB GLU 7 10.696 1.851 -1.692 54 HG2 GLU 7 1HG GLU 7 8.475 2.088 -2.797 55 HG3 GLU 7 2HG GLU 7 7.844 2.804 -1.321 56 H ILE 8 H ILE 8 11.253 -0.715 -1.768 57 HA ILE 8 HA ILE 8 12.149 -1.833 0.797 58 HB ILE 8 HB ILE 8 11.726 -3.417 -1.031 59 HG12 ILE 8 1HG1 ILE 8 14.109 -4.398 -1.140 60 HG13 ILE 8 2HG1 ILE 8 14.582 -3.038 -0.124 61 HG21 ILE 8 1HG2 ILE 8 13.886 -1.866 -2.485 62 HG22 ILE 8 2HG2 ILE 8 12.185 -1.961 -2.938 63 HG23 ILE 8 3HG2 ILE 8 13.202 -3.398 -3.027 64 HD11 ILE 8 1HD1 ILE 8 14.009 -5.043 1.225 65 HD12 ILE 8 2HD1 ILE 8 12.385 -5.022 0.538 66 HD13 ILE 8 3HD1 ILE 8 12.926 -3.694 1.564 67 HA PRO 9 HA PRO 9 15.545 1.076 0.358 68 HB2 PRO 9 1HB PRO 9 16.958 0.513 2.586 69 HB3 PRO 9 2HB PRO 9 15.355 1.270 2.663 70 HG2 PRO 9 1HG PRO 9 16.163 -1.491 3.288 71 HG3 PRO 9 2HG PRO 9 14.828 -0.525 3.934 72 HD2 PRO 9 1HD PRO 9 14.674 -2.515 1.903 73 HD3 PRO 9 2HD PRO 9 13.375 -1.436 2.450 74 H PHE 10 H PHE 10 16.245 -0.251 -1.590 75 HA PHE 10 HA PHE 10 18.445 -2.069 -1.166 76 HB2 PHE 10 1HB PHE 10 16.665 -1.867 -3.166 77 HB3 PHE 10 2HB PHE 10 17.985 -0.958 -3.871 78 HD1 PHE 10 HD1 PHE 10 17.529 -4.140 -1.926 79 HD2 PHE 10 HD2 PHE 10 19.435 -2.147 -5.220 80 HE1 PHE 10 HE1 PHE 10 18.651 -6.259 -2.561 81 HE2 PHE 10 HE2 PHE 10 20.556 -4.266 -5.854 82 HZ PHE 10 HZ PHE 10 20.165 -6.322 -4.524 83 HA PRO 11 HA PRO 11 20.929 1.520 -3.344 84 HB2 PRO 11 1HB PRO 11 19.819 3.948 -2.139 85 HB3 PRO 11 2HB PRO 11 20.206 3.596 -3.826 86 HG2 PRO 11 1HG PRO 11 17.667 3.723 -2.700 87 HG3 PRO 11 2HG PRO 11 18.094 3.101 -4.299 88 HD2 PRO 11 1HD PRO 11 17.189 1.632 -1.978 89 HD3 PRO 11 2HD PRO 11 17.467 1.042 -3.625 90 HA PRO 12 HA PRO 12 21.938 3.344 1.127 91 HB2 PRO 12 1HB PRO 12 20.201 1.461 2.665 92 HB3 PRO 12 2HB PRO 12 20.655 3.137 3.033 93 HG2 PRO 12 1HG PRO 12 18.238 2.524 2.111 94 HG3 PRO 12 2HG PRO 12 19.063 4.021 1.645 95 HD2 PRO 12 1HD PRO 12 18.605 1.555 0.040 96 HD3 PRO 12 2HD PRO 12 18.754 3.241 -0.493 97 H THR 13 H THR 13 20.836 -0.048 1.409 98 HA THR 13 HA THR 13 23.060 -1.019 2.755 99 HB THR 13 HB THR 13 21.357 -2.567 0.795 100 HG1 THR 13 HG1 THR 13 20.988 -1.930 3.533 101 HG21 THR 13 1HG2 THR 13 21.909 -4.468 2.239 102 HG22 THR 13 2HG2 THR 13 22.866 -3.418 3.285 103 HG23 THR 13 3HG2 THR 13 23.388 -3.728 1.629 104 H SER 14 H SER 14 22.883 -0.147 -0.597 105 HA SER 14 HA SER 14 24.761 -2.211 -1.466 106 HB2 SER 14 1HB SER 14 24.388 -1.349 -3.696 107 HB3 SER 14 2HB SER 14 22.826 -1.495 -2.897 108 HG SER 14 HG SER 14 22.642 0.619 -2.891 109 H ILE 15 H ILE 15 24.554 1.314 -1.306 110 HA ILE 15 HA ILE 15 27.265 1.857 -1.924 111 HB ILE 15 HB ILE 15 25.359 3.454 -0.187 112 HG12 ILE 15 1HG1 ILE 15 25.989 3.719 -3.143 113 HG13 ILE 15 2HG1 ILE 15 24.537 2.944 -2.508 114 HG21 ILE 15 1HG2 ILE 15 27.808 4.038 -0.017 115 HG22 ILE 15 2HG2 ILE 15 26.808 5.338 -0.670 116 HG23 ILE 15 3HG2 ILE 15 27.796 4.356 -1.752 117 HD11 ILE 15 1HD1 ILE 15 24.032 5.092 -1.281 118 HD12 ILE 15 2HD1 ILE 15 23.961 5.225 -3.037 119 HD13 ILE 15 3HD1 ILE 15 25.365 5.837 -2.164 120 H LEU 16 H LEU 16 25.556 1.100 1.086 121 HA LEU 16 HA LEU 16 27.740 1.598 2.837 122 HB2 LEU 16 1HB LEU 16 25.110 0.242 2.997 123 HB3 LEU 16 2HB LEU 16 26.308 -0.311 4.157 124 HG LEU 16 HG LEU 16 24.887 1.523 5.035 125 HD11 LEU 16 1HD1 LEU 16 27.392 1.120 5.606 126 HD12 LEU 16 2HD1 LEU 16 26.626 2.614 6.144 127 HD13 LEU 16 3HD1 LEU 16 27.665 2.620 4.718 128 HD21 LEU 16 1HD2 LEU 16 26.242 3.212 2.908 129 HD22 LEU 16 2HD2 LEU 16 25.193 3.814 4.189 130 HD23 LEU 16 3HD2 LEU 16 24.536 2.768 2.932 131 H LEU 17 H LEU 17 26.766 -1.226 0.951 132 HA LEU 17 HA LEU 17 28.459 -3.109 2.224 133 HB2 LEU 17 1HB LEU 17 26.533 -3.607 0.655 134 HB3 LEU 17 2HB LEU 17 27.603 -3.168 -0.675 135 HG LEU 17 HG LEU 17 28.563 -5.159 1.357 136 HD11 LEU 17 1HD1 LEU 17 26.546 -5.652 -0.837 137 HD12 LEU 17 2HD1 LEU 17 26.462 -6.145 0.854 138 HD13 LEU 17 3HD1 LEU 17 27.600 -6.933 -0.239 139 HD21 LEU 17 1HD2 LEU 17 29.490 -6.072 -0.925 140 HD22 LEU 17 2HD2 LEU 17 30.229 -4.641 -0.208 141 HD23 LEU 17 3HD2 LEU 17 29.073 -4.468 -1.527 142 H LEU 18 H LEU 18 28.899 -1.098 -0.668 143 HA LEU 18 HA LEU 18 31.497 -1.944 -1.333 144 HB2 LEU 18 1HB LEU 18 30.041 -0.534 -2.789 145 HB3 LEU 18 2HB LEU 18 30.324 0.823 -1.699 146 HG LEU 18 HG LEU 18 32.814 0.464 -2.090 147 HD11 LEU 18 1HD1 LEU 18 32.923 -1.738 -2.961 148 HD12 LEU 18 2HD1 LEU 18 33.229 -0.703 -4.356 149 HD13 LEU 18 3HD1 LEU 18 31.636 -1.428 -4.127 150 HD21 LEU 18 1HD2 LEU 18 31.125 1.137 -4.519 151 HD22 LEU 18 2HD2 LEU 18 32.782 1.663 -4.226 152 HD23 LEU 18 3HD2 LEU 18 31.476 2.251 -3.198 153 H LEU 19 H LEU 19 30.344 0.640 0.809 154 HA LEU 19 HA LEU 19 32.832 1.721 1.525 155 HB2 LEU 19 1HB LEU 19 30.625 2.726 2.086 156 HB3 LEU 19 2HB LEU 19 30.379 1.452 3.280 157 HG LEU 19 HG LEU 19 32.552 2.171 4.358 158 HD11 LEU 19 1HD1 LEU 19 33.078 4.657 3.744 159 HD12 LEU 19 2HD1 LEU 19 32.266 4.276 2.225 160 HD13 LEU 19 3HD1 LEU 19 33.704 3.376 2.706 161 HD21 LEU 19 1HD2 LEU 19 30.440 4.341 4.179 162 HD22 LEU 19 2HD2 LEU 19 31.535 4.039 5.529 163 HD23 LEU 19 3HD2 LEU 19 30.265 2.877 5.146 164 H ALA 20 H ALA 20 31.066 -1.075 2.787 165 HA ALA 20 HA ALA 20 32.640 -1.527 5.080 166 HB1 ALA 20 1HB ALA 20 31.387 -3.736 3.457 167 HB2 ALA 20 2HB ALA 20 30.407 -2.619 4.409 168 HB3 ALA 20 3HB ALA 20 31.603 -3.642 5.205 169 H CYS 21 H CYS 21 32.938 -2.755 1.759 170 HA CYS 21 HA CYS 21 35.060 -4.541 2.210 171 HB2 CYS 21 1HB CYS 21 34.389 -2.942 -0.273 172 HB3 CYS 21 2HB CYS 21 35.509 -4.303 -0.221 173 HG CYS 21 HG CYS 21 32.746 -4.774 -0.732 174 H ILE 22 H ILE 22 35.078 -1.128 1.247 175 HA ILE 22 HA ILE 22 37.864 -0.837 0.968 176 HB ILE 22 HB ILE 22 35.881 1.255 1.888 177 HG12 ILE 22 1HG1 ILE 22 35.145 0.229 -0.210 178 HG13 ILE 22 2HG1 ILE 22 35.732 1.859 -0.507 179 HG21 ILE 22 1HG2 ILE 22 38.105 2.064 2.227 180 HG22 ILE 22 2HG2 ILE 22 37.540 2.784 0.719 181 HG23 ILE 22 3HG2 ILE 22 38.648 1.412 0.681 182 HD11 ILE 22 1HD1 ILE 22 37.232 -0.726 -1.026 183 HD12 ILE 22 2HD1 ILE 22 37.935 0.881 -1.214 184 HD13 ILE 22 3HD1 ILE 22 36.591 0.381 -2.235 185 H PHE 23 H PHE 23 35.772 -0.546 3.809 186 HA PHE 23 HA PHE 23 37.651 0.562 5.576 187 HB2 PHE 23 1HB PHE 23 35.210 0.373 6.004 188 HB3 PHE 23 2HB PHE 23 35.409 -1.354 6.229 189 HD1 PHE 23 HD1 PHE 23 36.498 -2.246 8.230 190 HD2 PHE 23 HD2 PHE 23 35.997 1.981 7.657 191 HE1 PHE 23 HE1 PHE 23 37.022 -1.860 10.624 192 HE2 PHE 23 HE2 PHE 23 36.522 2.367 10.050 193 HZ PHE 23 HZ PHE 23 37.034 0.447 11.533 194 H LEU 24 H LEU 24 36.870 -2.825 4.851 195 HA LEU 24 HA LEU 24 38.513 -3.983 6.827 196 HB2 LEU 24 1HB LEU 24 37.330 -4.960 4.255 197 HB3 LEU 24 2HB LEU 24 38.542 -5.949 5.067 198 HG LEU 24 HG LEU 24 37.109 -5.602 7.196 199 HD11 LEU 24 1HD1 LEU 24 34.705 -5.222 6.720 200 HD12 LEU 24 2HD1 LEU 24 35.105 -4.894 5.033 201 HD13 LEU 24 3HD1 LEU 24 35.683 -3.814 6.302 202 HD21 LEU 24 1HD2 LEU 24 36.097 -7.235 4.846 203 HD22 LEU 24 2HD2 LEU 24 35.608 -7.480 6.523 204 HD23 LEU 24 3HD2 LEU 24 37.283 -7.752 6.046 205 H ILE 25 H ILE 25 39.191 -3.134 3.447 206 HA ILE 25 HA ILE 25 41.790 -4.241 3.357 207 HB ILE 25 HB ILE 25 40.731 -1.860 1.817 208 HG12 ILE 25 1HG1 ILE 25 39.262 -3.795 1.546 209 HG13 ILE 25 2HG1 ILE 25 40.178 -3.528 0.071 210 HG21 ILE 25 1HG2 ILE 25 43.111 -1.991 1.560 211 HG22 ILE 25 2HG2 ILE 25 42.404 -2.699 0.107 212 HG23 ILE 25 3HG2 ILE 25 43.057 -3.744 1.369 213 HD11 ILE 25 1HD1 ILE 25 41.783 -5.293 1.542 214 HD12 ILE 25 2HD1 ILE 25 40.739 -5.711 0.187 215 HD13 ILE 25 3HD1 ILE 25 40.137 -5.850 1.835 216 H LYS 26 H LYS 26 40.668 -0.977 4.196 217 HA LYS 26 HA LYS 26 43.218 0.218 4.323 218 HB2 LYS 26 1HB LYS 26 40.974 1.389 4.214 219 HB3 LYS 26 2HB LYS 26 40.813 1.058 5.940 220 HG2 LYS 26 1HG LYS 26 43.141 2.147 6.175 221 HG3 LYS 26 2HG LYS 26 42.869 2.771 4.547 222 HD2 LYS 26 1HD LYS 26 40.900 3.155 6.813 223 HD3 LYS 26 2HD LYS 26 42.155 4.330 6.417 224 HE2 LYS 26 1HE LYS 26 41.258 4.631 4.187 225 HE3 LYS 26 2HE LYS 26 40.098 3.326 4.433 226 HZ1 LYS 26 1HZ LYS 26 40.111 6.038 5.549 227 HZ2 LYS 26 2HZ LYS 26 39.414 4.787 6.462 228 HZ3 LYS 26 3HZ LYS 26 38.821 5.141 4.910 229 H ILE 27 H ILE 27 41.212 -1.275 6.852 230 HA ILE 27 HA ILE 27 42.973 -0.536 8.962 231 HB ILE 27 HB ILE 27 40.585 -1.010 9.319 232 HG12 ILE 27 1HG1 ILE 27 42.260 -2.960 10.904 233 HG13 ILE 27 2HG1 ILE 27 42.408 -1.214 11.110 234 HG21 ILE 27 1HG2 ILE 27 39.847 -3.368 9.464 235 HG22 ILE 27 2HG2 ILE 27 41.404 -3.887 8.826 236 HG23 ILE 27 3HG2 ILE 27 40.316 -2.923 7.826 237 HD11 ILE 27 1HD1 ILE 27 39.818 -2.766 11.380 238 HD12 ILE 27 2HD1 ILE 27 40.041 -1.042 11.680 239 HD13 ILE 27 3HD1 ILE 27 40.812 -2.227 12.734 240 H LEU 28 H LEU 28 42.706 -3.481 6.993 241 HA LEU 28 HA LEU 28 44.525 -5.041 8.482 242 HB2 LEU 28 1HB LEU 28 43.848 -5.084 5.533 243 HB3 LEU 28 2HB LEU 28 44.818 -6.313 6.345 244 HG LEU 28 HG LEU 28 42.022 -5.558 7.226 245 HD11 LEU 28 1HD1 LEU 28 42.996 -7.754 5.381 246 HD12 LEU 28 2HD1 LEU 28 41.812 -6.499 5.018 247 HD13 LEU 28 3HD1 LEU 28 41.415 -7.780 6.163 248 HD21 LEU 28 1HD2 LEU 28 43.210 -6.594 9.011 249 HD22 LEU 28 2HD2 LEU 28 43.988 -7.746 7.926 250 HD23 LEU 28 3HD2 LEU 28 42.267 -7.892 8.279 251 H ALA 29 H ALA 29 45.023 -2.802 5.774 252 HA ALA 29 HA ALA 29 47.803 -3.167 5.514 253 HB1 ALA 29 1HB ALA 29 47.657 -0.746 4.589 254 HB2 ALA 29 2HB ALA 29 45.919 -0.935 4.813 255 HB3 ALA 29 3HB ALA 29 46.793 -2.028 3.741 256 H ALA 30 H ALA 30 45.905 -1.113 7.671 257 HA ALA 30 HA ALA 30 48.303 0.207 8.684 258 HB1 ALA 30 1HB ALA 30 45.407 0.485 9.523 259 HB2 ALA 30 2HB ALA 30 46.234 1.509 8.349 260 HB3 ALA 30 3HB ALA 30 46.739 1.519 10.038 261 H SER 31 H SER 31 48.124 -2.655 9.106 262 HA SER 31 HA SER 31 47.161 -3.415 11.613 263 HB2 SER 31 1HB SER 31 48.042 -4.963 9.856 264 HB3 SER 31 2HB SER 31 49.671 -4.444 10.276 265 HG SER 31 HG SER 31 49.166 -6.286 11.449 266 H ALA 32 H ALA 32 50.232 -1.887 10.728 267 HA ALA 32 HA ALA 32 51.544 -2.200 13.198 268 HB1 ALA 32 1HB ALA 32 53.032 -0.450 12.444 269 HB2 ALA 32 2HB ALA 32 51.847 0.104 11.260 270 HB3 ALA 32 3HB ALA 32 52.623 -1.468 11.064 271 H LEU 33 H LEU 33 49.537 0.482 11.967 272 HA LEU 33 HA LEU 33 49.857 2.175 14.194 273 HB2 LEU 33 1HB LEU 33 47.484 1.964 12.326 274 HB3 LEU 33 2HB LEU 33 47.864 3.333 13.369 275 HG LEU 33 HG LEU 33 49.664 2.293 11.161 276 HD11 LEU 33 1HD1 LEU 33 47.623 4.504 11.297 277 HD12 LEU 33 2HD1 LEU 33 47.873 3.305 10.027 278 HD13 LEU 33 3HD1 LEU 33 49.012 4.639 10.219 279 HD21 LEU 33 1HD2 LEU 33 51.048 3.358 12.764 280 HD22 LEU 33 2HD2 LEU 33 49.831 4.581 13.127 281 HD23 LEU 33 3HD2 LEU 33 50.701 4.631 11.594 282 H TRP 34 H TRP 34 47.520 -0.399 13.536 283 HA TRP 34 HA TRP 34 45.796 0.103 15.709 284 HB2 TRP 34 1HB TRP 34 45.308 -1.391 13.771 285 HB3 TRP 34 2HB TRP 34 46.424 -2.564 14.443 286 HD1 TRP 34 HD1 TRP 34 45.470 -4.234 16.120 287 HE1 TRP 34 HE1 TRP 34 43.225 -4.500 17.355 288 HE3 TRP 34 HE3 TRP 34 43.244 0.186 14.861 289 HZ2 TRP 34 HZ2 TRP 34 40.799 -3.030 17.758 290 HZ3 TRP 34 HZ3 TRP 34 40.972 0.727 15.682 291 HH2 TRP 34 HH2 TRP 34 39.747 -0.871 17.126 292 H ALA 35 H ALA 35 48.642 -2.004 15.420 293 HA ALA 35 HA ALA 35 48.476 -3.162 17.983 294 HB1 ALA 35 1HB ALA 35 51.145 -2.637 16.744 295 HB2 ALA 35 2HB ALA 35 50.014 -3.691 15.894 296 HB3 ALA 35 3HB ALA 35 50.538 -4.095 17.529 297 H ALA 36 H ALA 36 50.166 -0.263 16.831 298 HA ALA 36 HA ALA 36 51.428 0.418 19.250 299 HB1 ALA 36 1HB ALA 36 50.414 2.533 17.387 300 HB2 ALA 36 2HB ALA 36 51.666 1.419 16.838 301 HB3 ALA 36 3HB ALA 36 51.952 2.442 18.246 302 H ALA 37 H ALA 37 48.169 1.091 18.053 303 HA ALA 37 HA ALA 37 47.413 2.995 19.984 304 HB1 ALA 37 1HB ALA 37 46.194 2.139 17.822 305 HB2 ALA 37 2HB ALA 37 45.249 2.726 19.192 306 HB3 ALA 37 3HB ALA 37 45.447 0.993 18.934 307 H TRP 38 H TRP 38 47.417 -0.541 20.071 308 HA TRP 38 HA TRP 38 45.887 -0.974 22.360 309 HB2 TRP 38 1HB TRP 38 46.782 -2.727 20.828 310 HB3 TRP 38 2HB TRP 38 48.366 -2.489 21.542 311 HD1 TRP 38 HD1 TRP 38 48.922 -3.943 23.551 312 HE1 TRP 38 HE1 TRP 38 47.586 -5.469 25.138 313 HE3 TRP 38 HE3 TRP 38 44.175 -2.911 21.978 314 HZ2 TRP 38 HZ2 TRP 38 44.858 -6.164 25.673 315 HZ3 TRP 38 HZ3 TRP 38 42.232 -4.016 23.041 316 HH2 TRP 38 HH2 TRP 38 42.564 -5.638 24.884 317 H HIS 39 H HIS 39 49.279 -0.022 22.057 318 HA HIS 39 HA HIS 39 49.513 0.067 24.998 319 HB2 HIS 39 1HB HIS 39 51.614 0.142 22.831 320 HB3 HIS 39 2HB HIS 39 51.948 0.310 24.543 321 HD1 HIS 39 HD1 HIS 39 51.113 -2.193 21.911 322 HD2 HIS 39 HD2 HIS 39 51.678 -2.132 26.041 323 HE1 HIS 39 HE1 HIS 39 51.320 -4.608 22.640 324 H GLY 40 H GLY 40 50.152 1.951 26.043 325 HA2 GLY 40 1HA GLY 40 49.339 4.398 24.759 326 HA3 GLY 40 2HA GLY 40 49.928 4.229 26.410 327 H GLN 41 H GLN 41 50.907 6.369 25.455 328 HA GLN 41 HA GLN 41 53.472 5.788 24.104 329 HB2 GLN 41 1HB GLN 41 51.919 8.372 24.382 330 HB3 GLN 41 2HB GLN 41 53.492 8.222 23.598 331 HG2 GLN 41 1HG GLN 41 52.567 6.658 21.964 332 HG3 GLN 41 2HG GLN 41 51.003 6.702 22.774 333 HE21 GLN 41 1HE2 GLN 41 51.279 7.452 20.025 334 HE22 GLN 41 2HE2 GLN 41 50.969 9.116 19.892 335 H LYS 42 H LYS 42 55.399 6.531 24.957 336 HA LYS 42 HA LYS 42 55.318 7.810 27.614 337 HB2 LYS 42 1HB LYS 42 56.625 5.218 26.851 338 HB3 LYS 42 2HB LYS 42 57.351 6.228 28.101 339 HG2 LYS 42 1HG LYS 42 55.029 6.294 29.184 340 HG3 LYS 42 2HG LYS 42 54.598 4.982 28.085 341 HD2 LYS 42 1HD LYS 42 56.496 3.646 28.956 342 HD3 LYS 42 2HD LYS 42 56.874 4.945 30.089 343 HE2 LYS 42 1HE LYS 42 54.669 4.708 31.135 344 HE3 LYS 42 2HE LYS 42 54.238 3.450 29.977 345 HZ1 LYS 42 1HZ LYS 42 56.539 3.289 31.845 346 HZ2 LYS 42 2HZ LYS 42 55.971 2.059 30.819 347 HZ3 LYS 42 3HZ LYS 42 55.025 2.580 32.131 348 HA PRO 43 HA PRO 43 58.527 10.394 26.035 349 HB2 PRO 43 1HB PRO 43 60.399 10.449 28.084 350 HB3 PRO 43 2HB PRO 43 58.921 11.427 28.037 351 HG2 PRO 43 1HG PRO 43 59.468 8.901 29.495 352 HG3 PRO 43 2HG PRO 43 58.528 10.319 29.996 353 HD2 PRO 43 1HD PRO 43 57.326 8.045 29.150 354 HD3 PRO 43 2HD PRO 43 56.630 9.651 28.838 355 H GLY 44 H GLY 44 59.742 7.459 27.630 356 HA2 GLY 44 1HA GLY 44 61.295 5.898 26.964 357 HA3 GLY 44 2HA GLY 44 61.106 6.529 25.330 358 H THR 45 H THR 45 62.967 7.177 24.489 359 HA THR 45 HA THR 45 64.973 8.468 26.251 360 HB THR 45 HB THR 45 65.494 6.841 23.751 361 HG1 THR 45 HG1 THR 45 65.984 5.206 25.092 362 HG21 THR 45 1HG2 THR 45 67.179 8.573 24.230 363 HG22 THR 45 2HG2 THR 45 67.837 6.963 24.524 364 HG23 THR 45 3HG2 THR 45 67.335 7.971 25.881 365 H HIS 46 H HIS 46 65.885 10.353 25.568 366 HA HIS 46 HA HIS 46 66.058 12.340 24.432 367 HB2 HIS 46 1HB HIS 46 65.642 10.495 22.078 368 HB3 HIS 46 2HB HIS 46 66.135 12.172 21.951 369 HD1 HIS 46 HD1 HIS 46 67.956 9.970 20.849 370 HD2 HIS 46 HD2 HIS 46 68.276 11.471 24.724 371 HE1 HIS 46 HE1 HIS 46 70.321 9.487 21.610
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