NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651885 | 6z0i | 50265 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 1 3H ARG 1 5.387 -5.521 9.664 2 HA ARG 1 HA ARG 1 4.256 -3.432 9.194 3 HB2 ARG 1 1HB ARG 1 3.981 -3.364 12.214 4 HB3 ARG 1 2HB ARG 1 3.641 -2.003 11.145 5 HG2 ARG 1 1HG ARG 1 1.958 -3.404 9.951 6 HG3 ARG 1 2HG ARG 1 2.245 -4.694 11.120 7 HD2 ARG 1 1HD ARG 1 1.632 -3.070 12.946 8 HD3 ARG 1 2HD ARG 1 1.166 -1.923 11.694 9 HE ARG 1 HE ARG 1 -0.105 -4.486 11.382 10 HH11 ARG 1 1HH1 ARG 1 -0.341 -1.424 13.087 11 HH12 ARG 1 2HH1 ARG 1 -2.052 -1.571 13.316 12 HH21 ARG 1 1HH2 ARG 1 -2.307 -4.618 11.709 13 HH22 ARG 1 2HH2 ARG 1 -3.150 -3.357 12.545 14 H SER 2 H SER 2 6.482 -3.510 8.472 15 HA SER 2 HA SER 2 8.268 -1.919 10.214 16 HB2 SER 2 1HB SER 2 9.145 -4.165 10.240 17 HB3 SER 2 2HB SER 2 8.981 -4.303 8.493 18 HG SER 2 HG SER 2 11.124 -3.695 9.496 19 H LEU 3 H LEU 3 6.939 -0.352 8.819 20 HA LEU 3 HA LEU 3 7.304 -0.080 6.070 21 HB2 LEU 3 1HB LEU 3 6.578 1.796 8.286 22 HB3 LEU 3 2HB LEU 3 6.910 2.461 6.694 23 HG LEU 3 HG LEU 3 4.496 2.003 7.077 24 HD11 LEU 3 1HD1 LEU 3 5.766 1.805 4.807 25 HD12 LEU 3 2HD1 LEU 3 4.101 1.231 4.915 26 HD13 LEU 3 3HD1 LEU 3 5.436 0.081 4.974 27 HD21 LEU 3 1HD2 LEU 3 5.132 -0.939 6.900 28 HD22 LEU 3 2HD2 LEU 3 3.623 -0.164 7.385 29 HD23 LEU 3 3HD2 LEU 3 5.020 -0.126 8.461 30 H LEU 4 H LEU 4 9.565 0.618 8.616 31 HA LEU 4 HA LEU 4 11.058 2.681 7.431 32 HB2 LEU 4 1HB LEU 4 11.820 0.489 9.353 33 HB3 LEU 4 2HB LEU 4 12.963 1.725 8.826 34 HG LEU 4 HG LEU 4 11.044 3.389 9.505 35 HD11 LEU 4 1HD1 LEU 4 10.311 0.814 10.891 36 HD12 LEU 4 2HD1 LEU 4 9.261 1.932 10.020 37 HD13 LEU 4 3HD1 LEU 4 9.904 2.376 11.601 38 HD21 LEU 4 1HD2 LEU 4 11.991 3.503 11.776 39 HD22 LEU 4 2HD2 LEU 4 13.265 3.220 10.591 40 HD23 LEU 4 3HD2 LEU 4 12.671 1.887 11.583 41 H GLU 5 H GLU 5 10.934 -0.722 6.670 42 HA GLU 5 HA GLU 5 13.462 -0.665 5.226 43 HB2 GLU 5 1HB GLU 5 11.374 -2.830 5.523 44 HB3 GLU 5 2HB GLU 5 12.921 -3.029 4.698 45 HG2 GLU 5 1HG GLU 5 12.580 -2.209 7.596 46 HG3 GLU 5 2HG GLU 5 13.013 -3.823 7.047 47 H GLY 6 H GLY 6 10.150 -0.065 4.449 48 HA2 GLY 6 1HA GLY 6 10.519 -0.713 1.627 49 HA3 GLY 6 2HA GLY 6 9.020 -0.227 2.396 50 H GLU 7 H GLU 7 11.468 1.954 3.308 51 HA GLU 7 HA GLU 7 10.257 3.970 1.581 52 HB2 GLU 7 1HB GLU 7 10.632 4.377 4.015 53 HB3 GLU 7 2HB GLU 7 12.369 4.289 3.725 54 HG2 GLU 7 1HG GLU 7 12.151 6.152 2.082 55 HG3 GLU 7 2HG GLU 7 10.445 6.274 2.484 56 H ILE 8 H ILE 8 11.347 5.198 0.069 57 HA ILE 8 HA ILE 8 13.636 3.958 -1.145 58 HB ILE 8 HB ILE 8 12.296 6.572 -1.876 59 HG12 ILE 8 1HG1 ILE 8 11.840 3.808 -3.041 60 HG13 ILE 8 2HG1 ILE 8 10.764 4.564 -1.868 61 HG21 ILE 8 1HG2 ILE 8 14.035 4.678 -3.484 62 HG22 ILE 8 2HG2 ILE 8 14.564 6.225 -2.825 63 HG23 ILE 8 3HG2 ILE 8 13.318 6.178 -4.071 64 HD11 ILE 8 1HD1 ILE 8 11.179 5.199 -4.746 65 HD12 ILE 8 2HD1 ILE 8 10.891 6.569 -3.674 66 HD13 ILE 8 3HD1 ILE 8 9.707 5.268 -3.781 67 HA PRO 9 HA PRO 9 16.642 6.784 0.815 68 HB2 PRO 9 1HB PRO 9 18.400 6.310 -1.510 69 HB3 PRO 9 2HB PRO 9 18.681 5.965 0.206 70 HG2 PRO 9 1HG PRO 9 18.267 4.032 -1.598 71 HG3 PRO 9 2HG PRO 9 17.734 3.895 0.088 72 HD2 PRO 9 1HD PRO 9 16.104 4.531 -2.351 73 HD3 PRO 9 2HD PRO 9 15.683 3.531 -0.940 74 H PHE 10 H PHE 10 17.163 8.976 0.538 75 HA PHE 10 HA PHE 10 15.821 10.526 -1.353 76 HB2 PHE 10 1HB PHE 10 18.339 11.126 0.199 77 HB3 PHE 10 2HB PHE 10 17.473 12.318 -0.750 78 HD1 PHE 10 HD1 PHE 10 17.376 10.183 2.256 79 HD2 PHE 10 HD2 PHE 10 15.373 13.254 0.019 80 HE1 PHE 10 HE1 PHE 10 15.903 10.637 4.198 81 HE2 PHE 10 HE2 PHE 10 13.899 13.708 1.961 82 HZ PHE 10 HZ PHE 10 14.164 12.400 4.052 83 HA PRO 11 HA PRO 11 17.912 9.786 -5.111 84 HB2 PRO 11 1HB PRO 11 17.989 12.676 -5.763 85 HB3 PRO 11 2HB PRO 11 17.230 11.334 -6.634 86 HG2 PRO 11 1HG PRO 11 15.820 13.146 -5.252 87 HG3 PRO 11 2HG PRO 11 15.305 11.460 -5.431 88 HD2 PRO 11 1HD PRO 11 16.468 12.825 -3.051 89 HD3 PRO 11 2HD PRO 11 15.316 11.475 -3.138 90 HA PRO 12 HA PRO 12 22.050 12.302 -4.387 91 HB2 PRO 12 1HB PRO 12 21.595 12.942 -1.511 92 HB3 PRO 12 2HB PRO 12 22.460 13.872 -2.750 93 HG2 PRO 12 1HG PRO 12 20.059 14.612 -1.882 94 HG3 PRO 12 2HG PRO 12 20.544 14.819 -3.575 95 HD2 PRO 12 1HD PRO 12 18.691 12.797 -2.388 96 HD3 PRO 12 2HD PRO 12 18.639 13.578 -3.983 97 H THR 13 H THR 13 23.708 10.878 -3.842 98 HA THR 13 HA THR 13 23.947 9.450 -1.479 99 HB THR 13 HB THR 13 23.404 7.102 -2.922 100 HG1 THR 13 HG1 THR 13 22.093 7.751 -4.408 101 HG21 THR 13 1HG2 THR 13 22.725 8.097 -0.471 102 HG22 THR 13 2HG2 THR 13 22.114 6.592 -1.151 103 HG23 THR 13 3HG2 THR 13 21.159 8.064 -1.281 104 H SER 14 H SER 14 24.478 9.294 -4.996 105 HA SER 14 HA SER 14 26.411 7.250 -4.898 106 HB2 SER 14 1HB SER 14 26.159 9.461 -6.948 107 HB3 SER 14 2HB SER 14 26.998 7.928 -7.162 108 HG SER 14 HG SER 14 24.660 8.219 -7.876 109 H ILE 15 H ILE 15 26.741 10.792 -4.690 110 HA ILE 15 HA ILE 15 29.564 10.830 -4.870 111 HB ILE 15 HB ILE 15 29.427 13.032 -3.728 112 HG12 ILE 15 1HG1 ILE 15 26.444 12.478 -3.654 113 HG13 ILE 15 2HG1 ILE 15 27.493 12.428 -2.237 114 HG21 ILE 15 1HG2 ILE 15 28.163 14.114 -5.519 115 HG22 ILE 15 2HG2 ILE 15 27.358 12.591 -5.899 116 HG23 ILE 15 3HG2 ILE 15 29.091 12.765 -6.173 117 HD11 ILE 15 1HD1 ILE 15 26.762 14.801 -3.943 118 HD12 ILE 15 2HD1 ILE 15 28.214 14.816 -2.942 119 HD13 ILE 15 3HD1 ILE 15 26.629 14.618 -2.193 120 H LEU 16 H LEU 16 27.406 10.275 -2.118 121 HA LEU 16 HA LEU 16 29.366 10.372 -0.094 122 HB2 LEU 16 1HB LEU 16 26.890 8.634 -0.234 123 HB3 LEU 16 2HB LEU 16 27.806 9.011 1.224 124 HG LEU 16 HG LEU 16 26.471 11.081 -0.546 125 HD11 LEU 16 1HD1 LEU 16 25.027 11.279 1.620 126 HD12 LEU 16 2HD1 LEU 16 25.594 9.643 1.951 127 HD13 LEU 16 3HD1 LEU 16 24.672 9.977 0.486 128 HD21 LEU 16 1HD2 LEU 16 26.868 12.445 1.620 129 HD22 LEU 16 2HD2 LEU 16 28.263 12.137 0.587 130 HD23 LEU 16 3HD2 LEU 16 28.017 11.177 2.046 131 H LEU 17 H LEU 17 28.365 7.750 -2.263 132 HA LEU 17 HA LEU 17 29.863 5.691 -1.053 133 HB2 LEU 17 1HB LEU 17 28.141 5.392 -2.841 134 HB3 LEU 17 2HB LEU 17 29.301 6.020 -4.009 135 HG LEU 17 HG LEU 17 30.172 3.766 -2.232 136 HD11 LEU 17 1HD1 LEU 17 28.497 3.369 -4.730 137 HD12 LEU 17 2HD1 LEU 17 27.912 3.117 -3.086 138 HD13 LEU 17 3HD1 LEU 17 29.205 2.103 -3.727 139 HD21 LEU 17 1HD2 LEU 17 30.793 4.858 -4.961 140 HD22 LEU 17 2HD2 LEU 17 31.164 3.168 -4.616 141 HD23 LEU 17 3HD2 LEU 17 31.898 4.447 -3.652 142 H LEU 18 H LEU 18 30.772 8.116 -3.476 143 HA LEU 18 HA LEU 18 33.323 7.059 -4.054 144 HB2 LEU 18 1HB LEU 18 32.453 9.957 -4.103 145 HB3 LEU 18 2HB LEU 18 33.868 9.288 -4.914 146 HG LEU 18 HG LEU 18 30.998 8.461 -5.455 147 HD11 LEU 18 1HD1 LEU 18 31.368 9.610 -7.634 148 HD12 LEU 18 2HD1 LEU 18 32.928 10.183 -7.041 149 HD13 LEU 18 3HD1 LEU 18 31.437 10.726 -6.269 150 HD21 LEU 18 1HD2 LEU 18 32.355 6.600 -5.994 151 HD22 LEU 18 2HD2 LEU 18 33.674 7.619 -6.571 152 HD23 LEU 18 3HD2 LEU 18 32.201 7.459 -7.528 153 H LEU 19 H LEU 19 32.265 9.333 -1.549 154 HA LEU 19 HA LEU 19 34.823 9.918 -0.520 155 HB2 LEU 19 1HB LEU 19 32.733 11.119 0.106 156 HB3 LEU 19 2HB LEU 19 32.257 9.719 1.068 157 HG LEU 19 HG LEU 19 34.456 9.947 2.308 158 HD11 LEU 19 1HD1 LEU 19 35.347 12.386 2.138 159 HD12 LEU 19 2HD1 LEU 19 34.543 12.405 0.568 160 HD13 LEU 19 3HD1 LEU 19 35.822 11.235 0.890 161 HD21 LEU 19 1HD2 LEU 19 33.602 11.608 3.793 162 HD22 LEU 19 2HD2 LEU 19 32.182 10.871 3.053 163 HD23 LEU 19 3HD2 LEU 19 32.754 12.442 2.491 164 H ALA 20 H ALA 20 32.625 7.230 0.131 165 HA ALA 20 HA ALA 20 34.056 6.074 2.258 166 HB1 ALA 20 1HB ALA 20 32.771 4.122 1.880 167 HB2 ALA 20 2HB ALA 20 32.570 4.490 0.167 168 HB3 ALA 20 3HB ALA 20 31.731 5.456 1.382 169 H CYS 21 H CYS 21 34.374 5.698 -1.251 170 HA CYS 21 HA CYS 21 36.144 3.513 -1.195 171 HB2 CYS 21 1HB CYS 21 35.774 5.704 -3.246 172 HB3 CYS 21 2HB CYS 21 36.783 4.280 -3.501 173 HG CYS 21 HG CYS 21 34.607 2.798 -3.191 174 H ILE 22 H ILE 22 36.763 7.025 -1.237 175 HA ILE 22 HA ILE 22 39.571 6.825 -1.506 176 HB ILE 22 HB ILE 22 38.042 8.974 -0.020 177 HG12 ILE 22 1HG1 ILE 22 37.106 8.684 -2.268 178 HG13 ILE 22 2HG1 ILE 22 38.021 10.184 -2.177 179 HG21 ILE 22 1HG2 ILE 22 40.774 8.874 -1.313 180 HG22 ILE 22 2HG2 ILE 22 40.396 9.178 0.382 181 HG23 ILE 22 3HG2 ILE 22 39.982 10.377 -0.843 182 HD11 ILE 22 1HD1 ILE 22 38.538 9.021 -4.264 183 HD12 ILE 22 2HD1 ILE 22 38.987 7.568 -3.375 184 HD13 ILE 22 3HD1 ILE 22 39.965 9.028 -3.231 185 H PHE 23 H PHE 23 37.499 6.941 1.384 186 HA PHE 23 HA PHE 23 39.562 6.815 3.295 187 HB2 PHE 23 1HB PHE 23 36.687 5.987 3.322 188 HB3 PHE 23 2HB PHE 23 37.725 5.639 4.691 189 HD1 PHE 23 HD1 PHE 23 39.106 7.696 5.608 190 HD2 PHE 23 HD2 PHE 23 35.541 8.010 3.233 191 HE1 PHE 23 HE1 PHE 23 38.739 9.992 6.466 192 HE2 PHE 23 HE2 PHE 23 35.173 10.309 4.092 193 HZ PHE 23 HZ PHE 23 36.771 11.300 5.709 194 H LEU 24 H LEU 24 38.136 4.306 1.309 195 HA LEU 24 HA LEU 24 38.900 2.175 3.062 196 HB2 LEU 24 1HB LEU 24 36.948 2.069 1.522 197 HB3 LEU 24 2HB LEU 24 38.064 2.051 0.156 198 HG LEU 24 HG LEU 24 39.128 -0.006 1.145 199 HD11 LEU 24 1HD1 LEU 24 38.520 0.136 3.444 200 HD12 LEU 24 2HD1 LEU 24 37.596 -1.223 2.805 201 HD13 LEU 24 3HD1 LEU 24 36.811 0.335 3.058 202 HD21 LEU 24 1HD2 LEU 24 37.481 -0.196 -0.658 203 HD22 LEU 24 2HD2 LEU 24 36.162 -0.124 0.510 204 HD23 LEU 24 3HD2 LEU 24 37.251 -1.511 0.493 205 H ILE 25 H ILE 25 39.960 2.999 -0.255 206 HA ILE 25 HA ILE 25 42.074 1.113 -0.242 207 HB ILE 25 HB ILE 25 41.766 3.622 -1.914 208 HG12 ILE 25 1HG1 ILE 25 41.215 1.566 -3.590 209 HG13 ILE 25 2HG1 ILE 25 40.698 0.826 -2.080 210 HG21 ILE 25 1HG2 ILE 25 43.527 1.186 -2.352 211 HG22 ILE 25 2HG2 ILE 25 44.102 2.780 -1.861 212 HG23 ILE 25 3HG2 ILE 25 43.365 2.558 -3.448 213 HD11 ILE 25 1HD1 ILE 25 38.966 2.322 -1.787 214 HD12 ILE 25 2HD1 ILE 25 39.042 2.296 -3.549 215 HD13 ILE 25 3HD1 ILE 25 39.795 3.615 -2.653 216 H LYS 26 H LYS 26 41.911 4.483 0.905 217 HA LYS 26 HA LYS 26 44.684 4.950 1.037 218 HB2 LYS 26 1HB LYS 26 42.925 6.682 1.343 219 HB3 LYS 26 2HB LYS 26 42.554 5.987 2.920 220 HG2 LYS 26 1HG LYS 26 44.922 6.378 3.607 221 HG3 LYS 26 2HG LYS 26 45.209 7.173 2.059 222 HD2 LYS 26 1HD LYS 26 43.364 8.778 2.603 223 HD3 LYS 26 2HD LYS 26 43.250 8.041 4.202 224 HE2 LYS 26 1HE LYS 26 45.617 8.609 4.630 225 HE3 LYS 26 2HE LYS 26 45.720 9.365 3.040 226 HZ1 LYS 26 1HZ LYS 26 43.696 10.706 3.872 227 HZ2 LYS 26 2HZ LYS 26 45.251 11.138 4.404 228 HZ3 LYS 26 3HZ LYS 26 44.222 10.242 5.417 229 H ILE 27 H ILE 27 42.473 3.388 3.342 230 HA ILE 27 HA ILE 27 44.467 3.023 5.346 231 HB ILE 27 HB ILE 27 41.860 1.542 4.914 232 HG12 ILE 27 1HG1 ILE 27 42.491 3.792 6.836 233 HG13 ILE 27 2HG1 ILE 27 41.824 4.088 5.233 234 HG21 ILE 27 1HG2 ILE 27 42.045 0.927 7.269 235 HG22 ILE 27 2HG2 ILE 27 43.561 1.816 7.414 236 HG23 ILE 27 3HG2 ILE 27 43.483 0.362 6.419 237 HD11 ILE 27 1HD1 ILE 27 40.038 2.303 5.940 238 HD12 ILE 27 2HD1 ILE 27 39.891 3.955 6.541 239 HD13 ILE 27 3HD1 ILE 27 40.562 2.696 7.577 240 H LEU 28 H LEU 28 43.090 0.782 2.946 241 HA LEU 28 HA LEU 28 44.514 -1.482 3.796 242 HB2 LEU 28 1HB LEU 28 43.175 -0.732 1.217 243 HB3 LEU 28 2HB LEU 28 44.080 -2.240 1.356 244 HG LEU 28 HG LEU 28 42.674 -2.560 3.550 245 HD11 LEU 28 1HD1 LEU 28 41.626 -0.354 3.576 246 HD12 LEU 28 2HD1 LEU 28 40.390 -1.581 3.304 247 HD13 LEU 28 3HD1 LEU 28 40.981 -0.613 1.955 248 HD21 LEU 28 1HD2 LEU 28 42.576 -3.828 1.311 249 HD22 LEU 28 2HD2 LEU 28 41.192 -2.803 0.929 250 HD23 LEU 28 3HD2 LEU 28 41.131 -3.883 2.321 251 H ALA 29 H ALA 29 45.482 1.150 1.689 252 HA ALA 29 HA ALA 29 47.749 -0.293 0.629 253 HB1 ALA 29 1HB ALA 29 46.455 1.509 -0.594 254 HB2 ALA 29 2HB ALA 29 48.211 1.676 -0.622 255 HB3 ALA 29 3HB ALA 29 47.247 2.676 0.465 256 H ALA 30 H ALA 30 47.362 2.491 2.877 257 HA ALA 30 HA ALA 30 50.129 2.932 3.172 258 HB1 ALA 30 1HB ALA 30 49.554 4.372 4.984 259 HB2 ALA 30 2HB ALA 30 48.030 3.527 5.259 260 HB3 ALA 30 3HB ALA 30 48.247 4.506 3.807 261 H SER 31 H SER 31 47.858 0.941 5.053 262 HA SER 31 HA SER 31 49.639 0.291 7.141 263 HB2 SER 31 1HB SER 31 47.400 -1.420 6.045 264 HB3 SER 31 2HB SER 31 48.135 -1.543 7.639 265 HG SER 31 HG SER 31 46.577 -0.190 8.124 266 H ALA 32 H ALA 32 49.159 -1.138 3.941 267 HA ALA 32 HA ALA 32 50.545 -3.559 4.511 268 HB1 ALA 32 1HB ALA 32 50.619 -3.792 2.017 269 HB2 ALA 32 2HB ALA 32 49.922 -2.177 1.892 270 HB3 ALA 32 3HB ALA 32 49.006 -3.476 2.654 271 H LEU 33 H LEU 33 51.528 -0.611 2.744 272 HA LEU 33 HA LEU 33 54.180 -1.434 2.251 273 HB2 LEU 33 1HB LEU 33 52.922 0.520 1.228 274 HB3 LEU 33 2HB LEU 33 53.282 1.414 2.703 275 HG LEU 33 HG LEU 33 55.534 0.035 1.280 276 HD11 LEU 33 1HD1 LEU 33 55.794 1.721 -0.337 277 HD12 LEU 33 2HD1 LEU 33 54.710 2.827 0.507 278 HD13 LEU 33 3HD1 LEU 33 54.055 1.433 -0.349 279 HD21 LEU 33 1HD2 LEU 33 56.550 2.348 2.081 280 HD22 LEU 33 2HD2 LEU 33 56.287 1.049 3.240 281 HD23 LEU 33 3HD2 LEU 33 55.128 2.371 3.123 282 H TRP 34 H TRP 34 52.724 0.256 5.017 283 HA TRP 34 HA TRP 34 55.109 0.908 6.343 284 HB2 TRP 34 1HB TRP 34 52.666 1.596 6.865 285 HB3 TRP 34 2HB TRP 34 52.639 0.143 7.849 286 HD1 TRP 34 HD1 TRP 34 54.712 3.370 7.449 287 HE1 TRP 34 HE1 TRP 34 55.635 4.035 9.760 288 HE3 TRP 34 HE3 TRP 34 53.050 -0.578 10.228 289 HZ2 TRP 34 HZ2 TRP 34 55.664 3.024 12.442 290 HZ3 TRP 34 HZ3 TRP 34 53.538 -0.703 12.651 291 HH2 TRP 34 HH2 TRP 34 54.840 1.089 13.763 292 H ALA 35 H ALA 35 53.372 -2.127 6.156 293 HA ALA 35 HA ALA 35 54.658 -3.306 8.421 294 HB1 ALA 35 1HB ALA 35 53.756 -5.456 7.359 295 HB2 ALA 35 2HB ALA 35 53.043 -4.412 6.130 296 HB3 ALA 35 3HB ALA 35 52.569 -4.235 7.819 297 H ALA 36 H ALA 36 55.000 -3.923 4.915 298 HA ALA 36 HA ALA 36 57.037 -5.849 5.227 299 HB1 ALA 36 1HB ALA 36 57.533 -5.358 2.807 300 HB2 ALA 36 2HB ALA 36 56.345 -4.057 2.892 301 HB3 ALA 36 3HB ALA 36 55.843 -5.728 3.148 302 H ALA 37 H ALA 37 57.205 -2.323 4.809 303 HA ALA 37 HA ALA 37 60.033 -2.189 4.592 304 HB1 ALA 37 1HB ALA 37 58.040 -0.131 5.552 305 HB2 ALA 37 2HB ALA 37 58.653 -0.319 3.909 306 HB3 ALA 37 3HB ALA 37 59.737 0.200 5.201 307 H TRP 38 H TRP 38 57.849 -1.880 7.383 308 HA TRP 38 HA TRP 38 59.732 -1.157 9.295 309 HB2 TRP 38 1HB TRP 38 57.265 -1.098 9.558 310 HB3 TRP 38 2HB TRP 38 57.273 -2.842 9.740 311 HD1 TRP 38 HD1 TRP 38 57.401 -3.667 12.136 312 HE1 TRP 38 HE1 TRP 38 58.116 -2.661 14.398 313 HE3 TRP 38 HE3 TRP 38 59.116 0.880 10.572 314 HZ2 TRP 38 HZ2 TRP 38 59.269 -0.240 15.412 315 HZ3 TRP 38 HZ3 TRP 38 60.014 2.513 12.200 316 HH2 TRP 38 HH2 TRP 38 60.094 1.962 14.615 317 H HIS 39 H HIS 39 58.981 -4.383 8.047 318 HA HIS 39 HA HIS 39 60.728 -5.659 9.980 319 HB2 HIS 39 1HB HIS 39 59.587 -6.683 7.371 320 HB3 HIS 39 2HB HIS 39 60.473 -7.653 8.531 321 HD1 HIS 39 HD1 HIS 39 59.246 -8.255 10.764 322 HD2 HIS 39 HD2 HIS 39 56.889 -6.187 8.019 323 HE1 HIS 39 HE1 HIS 39 56.849 -8.491 11.555 324 H GLY 40 H GLY 40 60.912 -5.599 6.410 325 HA2 GLY 40 1HA GLY 40 63.479 -4.211 6.646 326 HA3 GLY 40 2HA GLY 40 63.437 -5.687 5.683 327 H GLN 41 H GLN 41 62.999 -2.314 5.515 328 HA GLN 41 HA GLN 41 61.561 -2.070 3.166 329 HB2 GLN 41 1HB GLN 41 62.722 -0.212 4.396 330 HB3 GLN 41 2HB GLN 41 64.235 -0.747 3.662 331 HG2 GLN 41 1HG GLN 41 63.302 -0.402 1.424 332 HG3 GLN 41 2HG GLN 41 61.756 0.070 2.122 333 HE21 GLN 41 1HE2 GLN 41 62.877 1.934 0.473 334 HE22 GLN 41 2HE2 GLN 41 63.548 3.216 1.359 335 H LYS 42 H LYS 42 61.908 -2.468 1.017 336 HA LYS 42 HA LYS 42 62.592 -3.810 -0.730 337 HB2 LYS 42 1HB LYS 42 64.751 -1.870 -0.042 338 HB3 LYS 42 2HB LYS 42 65.070 -3.052 -1.309 339 HG2 LYS 42 1HG LYS 42 62.616 -2.225 -2.098 340 HG3 LYS 42 2HG LYS 42 63.155 -0.764 -1.276 341 HD2 LYS 42 1HD LYS 42 63.872 -0.480 -3.514 342 HD3 LYS 42 2HD LYS 42 65.321 -1.004 -2.656 343 HE2 LYS 42 1HE LYS 42 65.304 -3.108 -3.624 344 HE3 LYS 42 2HE LYS 42 63.557 -3.103 -3.867 345 HZ1 LYS 42 1HZ LYS 42 64.942 -2.829 -5.920 346 HZ2 LYS 42 2HZ LYS 42 65.391 -1.298 -5.336 347 HZ3 LYS 42 3HZ LYS 42 63.762 -1.634 -5.678 348 HA PRO 43 HA PRO 43 64.933 -6.853 2.046 349 HB2 PRO 43 1HB PRO 43 63.308 -9.020 1.376 350 HB3 PRO 43 2HB PRO 43 63.138 -8.020 2.830 351 HG2 PRO 43 1HG PRO 43 61.623 -7.925 0.286 352 HG3 PRO 43 2HG PRO 43 61.077 -7.632 1.947 353 HD2 PRO 43 1HD PRO 43 61.522 -5.602 0.203 354 HD3 PRO 43 2HD PRO 43 61.801 -5.429 1.949 355 H GLY 44 H GLY 44 66.469 -8.311 1.310 356 HA2 GLY 44 1HA GLY 44 66.916 -8.267 -1.570 357 HA3 GLY 44 2HA GLY 44 68.058 -8.803 -0.343 358 H THR 45 H THR 45 68.258 -10.929 0.070 359 HA THR 45 HA THR 45 68.211 -13.167 -0.455 360 HB THR 45 HB THR 45 65.810 -14.104 -0.086 361 HG1 THR 45 HG1 THR 45 64.588 -12.326 -0.375 362 HG21 THR 45 1HG2 THR 45 67.633 -14.113 1.589 363 HG22 THR 45 2HG2 THR 45 66.071 -13.787 2.339 364 HG23 THR 45 3HG2 THR 45 67.206 -12.467 2.052 365 H HIS 46 H HIS 46 68.487 -11.954 -2.789 366 HA HIS 46 HA HIS 46 66.387 -12.701 -4.647 367 HB2 HIS 46 1HB HIS 46 67.722 -10.644 -4.950 368 HB3 HIS 46 2HB HIS 46 69.163 -11.622 -5.148 369 HD1 HIS 46 HD1 HIS 46 69.544 -12.719 -7.427 370 HD2 HIS 46 HD2 HIS 46 65.877 -10.756 -7.159 371 HE1 HIS 46 HE1 HIS 46 68.606 -12.633 -9.777 Start of MODEL 2 1 H ARG 1 3H ARG 1 3.898 8.402 -10.354 2 HA ARG 1 HA ARG 1 3.324 6.915 -12.847 3 HB2 ARG 1 1HB ARG 1 5.732 6.555 -13.037 4 HB3 ARG 1 2HB ARG 1 5.383 8.281 -13.060 5 HG2 ARG 1 1HG ARG 1 5.884 8.336 -10.589 6 HG3 ARG 1 2HG ARG 1 6.426 6.661 -10.720 7 HD2 ARG 1 1HD ARG 1 8.056 7.376 -12.477 8 HD3 ARG 1 2HD ARG 1 7.573 9.046 -12.196 9 HE ARG 1 HE ARG 1 8.309 7.882 -9.733 10 HH11 ARG 1 1HH1 ARG 1 9.816 8.929 -12.726 11 HH12 ARG 1 2HH1 ARG 1 11.336 9.254 -11.963 12 HH21 ARG 1 1HH2 ARG 1 10.292 8.319 -8.807 13 HH22 ARG 1 2HH2 ARG 1 11.601 8.913 -9.773 14 H SER 2 H SER 2 3.892 4.655 -12.639 15 HA SER 2 HA SER 2 2.872 3.449 -10.337 16 HB2 SER 2 1HB SER 2 4.762 2.261 -12.383 17 HB3 SER 2 2HB SER 2 3.776 1.352 -11.242 18 HG SER 2 HG SER 2 3.025 2.874 -13.483 19 H LEU 3 H LEU 3 3.792 2.440 -8.586 20 HA LEU 3 HA LEU 3 5.176 2.447 -6.746 21 HB2 LEU 3 1HB LEU 3 7.109 1.529 -8.884 22 HB3 LEU 3 2HB LEU 3 7.241 1.210 -7.157 23 HG LEU 3 HG LEU 3 4.942 0.304 -8.919 24 HD11 LEU 3 1HD1 LEU 3 5.918 -1.960 -8.544 25 HD12 LEU 3 2HD1 LEU 3 7.296 -1.205 -7.742 26 HD13 LEU 3 3HD1 LEU 3 7.000 -0.905 -9.455 27 HD21 LEU 3 1HD2 LEU 3 4.480 -1.138 -6.866 28 HD22 LEU 3 2HD2 LEU 3 4.164 0.585 -6.663 29 HD23 LEU 3 3HD2 LEU 3 5.635 -0.125 -5.999 30 H LEU 4 H LEU 4 4.990 5.024 -7.338 31 HA LEU 4 HA LEU 4 7.330 6.433 -7.982 32 HB2 LEU 4 1HB LEU 4 4.969 7.320 -7.722 33 HB3 LEU 4 2HB LEU 4 5.255 7.339 -5.986 34 HG LEU 4 HG LEU 4 7.352 8.632 -7.684 35 HD11 LEU 4 1HD1 LEU 4 4.591 9.810 -7.275 36 HD12 LEU 4 2HD1 LEU 4 5.407 9.503 -8.809 37 HD13 LEU 4 3HD1 LEU 4 6.006 10.761 -7.728 38 HD21 LEU 4 1HD2 LEU 4 6.003 9.820 -5.272 39 HD22 LEU 4 2HD2 LEU 4 7.675 9.979 -5.804 40 HD23 LEU 4 3HD2 LEU 4 7.126 8.481 -5.059 41 H GLU 5 H GLU 5 6.430 4.776 -5.039 42 HA GLU 5 HA GLU 5 8.473 6.105 -3.447 43 HB2 GLU 5 1HB GLU 5 6.599 3.824 -2.804 44 HB3 GLU 5 2HB GLU 5 7.690 4.591 -1.649 45 HG2 GLU 5 1HG GLU 5 6.591 6.777 -2.109 46 HG3 GLU 5 2HG GLU 5 5.461 5.960 -3.181 47 H GLY 6 H GLY 6 8.368 3.354 -5.501 48 HA2 GLY 6 1HA GLY 6 10.506 1.958 -4.077 49 HA3 GLY 6 2HA GLY 6 9.611 1.351 -5.459 50 H GLU 7 H GLU 7 10.735 4.567 -5.929 51 HA GLU 7 HA GLU 7 12.560 3.573 -7.969 52 HB2 GLU 7 1HB GLU 7 11.657 6.381 -7.292 53 HB3 GLU 7 2HB GLU 7 12.668 5.945 -8.670 54 HG2 GLU 7 1HG GLU 7 9.880 4.879 -8.148 55 HG3 GLU 7 2HG GLU 7 10.278 6.145 -9.303 56 H ILE 8 H ILE 8 14.710 4.221 -8.178 57 HA ILE 8 HA ILE 8 16.116 4.295 -5.681 58 HB ILE 8 HB ILE 8 17.211 4.392 -8.501 59 HG12 ILE 8 1HG1 ILE 8 16.909 2.016 -6.639 60 HG13 ILE 8 2HG1 ILE 8 15.789 2.379 -7.953 61 HG21 ILE 8 1HG2 ILE 8 19.289 3.609 -7.464 62 HG22 ILE 8 2HG2 ILE 8 18.523 3.618 -5.876 63 HG23 ILE 8 3HG2 ILE 8 18.795 5.136 -6.733 64 HD11 ILE 8 1HD1 ILE 8 17.667 2.275 -9.567 65 HD12 ILE 8 2HD1 ILE 8 17.467 0.750 -8.702 66 HD13 ILE 8 3HD1 ILE 8 18.762 1.858 -8.249 67 HA PRO 9 HA PRO 9 16.742 8.776 -5.735 68 HB2 PRO 9 1HB PRO 9 19.283 8.419 -4.285 69 HB3 PRO 9 2HB PRO 9 17.795 9.228 -3.765 70 HG2 PRO 9 1HG PRO 9 18.641 6.886 -2.737 71 HG3 PRO 9 2HG PRO 9 16.932 7.345 -2.845 72 HD2 PRO 9 1HD PRO 9 18.477 5.440 -4.558 73 HD3 PRO 9 2HD PRO 9 16.782 5.373 -4.025 74 H PHE 10 H PHE 10 18.120 10.314 -6.826 75 HA PHE 10 HA PHE 10 18.978 9.314 -9.256 76 HB2 PHE 10 1HB PHE 10 19.824 11.923 -8.003 77 HB3 PHE 10 2HB PHE 10 19.857 11.535 -9.714 78 HD1 PHE 10 HD1 PHE 10 17.628 11.022 -10.878 79 HD2 PHE 10 HD2 PHE 10 17.901 12.816 -6.984 80 HE1 PHE 10 HE1 PHE 10 15.299 11.846 -11.094 81 HE2 PHE 10 HE2 PHE 10 15.573 13.641 -7.201 82 HZ PHE 10 HZ PHE 10 14.271 13.155 -9.256 83 HA PRO 11 HA PRO 11 22.966 7.618 -8.495 84 HB2 PRO 11 1HB PRO 11 23.998 8.788 -11.012 85 HB3 PRO 11 2HB PRO 11 23.906 7.098 -10.487 86 HG2 PRO 11 1HG PRO 11 22.277 8.109 -12.343 87 HG3 PRO 11 2HG PRO 11 21.760 6.848 -11.209 88 HD2 PRO 11 1HD PRO 11 21.108 9.764 -11.200 89 HD3 PRO 11 2HD PRO 11 20.119 8.372 -10.707 90 HA PRO 12 HA PRO 12 25.908 11.516 -8.885 91 HB2 PRO 12 1HB PRO 12 24.033 13.582 -7.841 92 HB3 PRO 12 2HB PRO 12 25.327 13.730 -9.047 93 HG2 PRO 12 1HG PRO 12 22.781 13.696 -9.773 94 HG3 PRO 12 2HG PRO 12 24.025 12.888 -10.745 95 HD2 PRO 12 1HD PRO 12 21.993 11.676 -8.914 96 HD3 PRO 12 2HD PRO 12 22.644 11.056 -10.447 97 H THR 13 H THR 13 23.384 11.316 -6.350 98 HA THR 13 HA THR 13 25.043 12.072 -4.189 99 HB THR 13 HB THR 13 23.410 10.921 -2.769 100 HG1 THR 13 HG1 THR 13 21.814 9.684 -3.722 101 HG21 THR 13 1HG2 THR 13 22.240 12.424 -5.126 102 HG22 THR 13 2HG2 THR 13 22.791 13.114 -3.599 103 HG23 THR 13 3HG2 THR 13 21.361 12.081 -3.635 104 H SER 14 H SER 14 24.667 9.016 -5.884 105 HA SER 14 HA SER 14 25.687 7.325 -3.879 106 HB2 SER 14 1HB SER 14 24.432 6.573 -5.906 107 HB3 SER 14 2HB SER 14 25.865 6.916 -6.868 108 HG SER 14 HG SER 14 25.649 5.116 -4.676 109 H ILE 15 H ILE 15 27.325 9.119 -6.481 110 HA ILE 15 HA ILE 15 29.801 7.783 -6.210 111 HB ILE 15 HB ILE 15 30.808 9.827 -7.270 112 HG12 ILE 15 1HG1 ILE 15 27.998 10.782 -7.719 113 HG13 ILE 15 2HG1 ILE 15 28.859 11.286 -6.262 114 HG21 ILE 15 1HG2 ILE 15 29.873 9.325 -9.410 115 HG22 ILE 15 2HG2 ILE 15 28.341 8.816 -8.698 116 HG23 ILE 15 3HG2 ILE 15 29.788 7.832 -8.477 117 HD11 ILE 15 1HD1 ILE 15 30.688 12.180 -7.623 118 HD12 ILE 15 2HD1 ILE 15 29.159 12.902 -8.127 119 HD13 ILE 15 3HD1 ILE 15 29.890 11.620 -9.094 120 H LEU 16 H LEU 16 28.426 10.518 -4.426 121 HA LEU 16 HA LEU 16 30.779 11.242 -3.034 122 HB2 LEU 16 1HB LEU 16 27.919 11.294 -2.040 123 HB3 LEU 16 2HB LEU 16 29.273 12.180 -1.339 124 HG LEU 16 HG LEU 16 28.290 12.511 -4.190 125 HD11 LEU 16 1HD1 LEU 16 27.912 14.264 -1.742 126 HD12 LEU 16 2HD1 LEU 16 26.647 13.345 -2.558 127 HD13 LEU 16 3HD1 LEU 16 27.432 14.691 -3.384 128 HD21 LEU 16 1HD2 LEU 16 30.416 13.866 -2.514 129 HD22 LEU 16 2HD2 LEU 16 29.730 14.627 -3.949 130 HD23 LEU 16 3HD2 LEU 16 30.601 13.101 -4.092 131 H LEU 17 H LEU 17 28.332 8.742 -2.387 132 HA LEU 17 HA LEU 17 29.430 7.791 0.029 133 HB2 LEU 17 1HB LEU 17 27.227 7.097 -0.913 134 HB3 LEU 17 2HB LEU 17 28.086 6.129 -2.112 135 HG LEU 17 HG LEU 17 29.249 4.961 -0.181 136 HD11 LEU 17 1HD1 LEU 17 28.981 6.382 1.666 137 HD12 LEU 17 2HD1 LEU 17 27.769 5.137 1.970 138 HD13 LEU 17 3HD1 LEU 17 27.284 6.696 1.300 139 HD21 LEU 17 1HD2 LEU 17 27.535 3.711 -1.210 140 HD22 LEU 17 2HD2 LEU 17 26.275 4.814 -0.657 141 HD23 LEU 17 3HD2 LEU 17 27.058 3.725 0.488 142 H LEU 18 H LEU 18 30.279 7.087 -3.337 143 HA LEU 18 HA LEU 18 32.120 5.017 -2.832 144 HB2 LEU 18 1HB LEU 18 31.304 5.671 -5.098 145 HB3 LEU 18 2HB LEU 18 32.330 7.102 -5.013 146 HG LEU 18 HG LEU 18 34.291 5.553 -4.596 147 HD11 LEU 18 1HD1 LEU 18 33.772 3.184 -5.568 148 HD12 LEU 18 2HD1 LEU 18 32.103 3.558 -5.137 149 HD13 LEU 18 3HD1 LEU 18 33.348 3.524 -3.889 150 HD21 LEU 18 1HD2 LEU 18 32.707 5.422 -7.172 151 HD22 LEU 18 2HD2 LEU 18 34.340 4.772 -7.024 152 HD23 LEU 18 3HD2 LEU 18 34.051 6.495 -6.785 153 H LEU 19 H LEU 19 32.492 8.535 -2.697 154 HA LEU 19 HA LEU 19 35.288 8.625 -2.433 155 HB2 LEU 19 1HB LEU 19 33.817 10.604 -2.787 156 HB3 LEU 19 2HB LEU 19 33.284 10.467 -1.111 157 HG LEU 19 HG LEU 19 35.711 10.630 -0.421 158 HD11 LEU 19 1HD1 LEU 19 35.957 11.121 -3.388 159 HD12 LEU 19 2HD1 LEU 19 36.903 10.032 -2.375 160 HD13 LEU 19 3HD1 LEU 19 37.137 11.777 -2.254 161 HD21 LEU 19 1HD2 LEU 19 34.484 12.925 -1.982 162 HD22 LEU 19 2HD2 LEU 19 35.833 13.094 -0.859 163 HD23 LEU 19 3HD2 LEU 19 34.252 12.580 -0.268 164 H ALA 20 H ALA 20 32.758 8.107 -0.010 165 HA ALA 20 HA ALA 20 34.443 8.059 2.257 166 HB1 ALA 20 1HB ALA 20 31.764 6.915 1.608 167 HB2 ALA 20 2HB ALA 20 32.229 8.040 2.882 168 HB3 ALA 20 3HB ALA 20 32.593 6.322 3.047 169 H CYS 21 H CYS 21 33.560 5.516 -0.049 170 HA CYS 21 HA CYS 21 34.868 3.382 1.235 171 HB2 CYS 21 1HB CYS 21 34.523 3.816 -1.741 172 HB3 CYS 21 2HB CYS 21 34.863 2.280 -0.945 173 HG CYS 21 HG CYS 21 32.330 3.596 0.134 174 H ILE 22 H ILE 22 36.087 5.836 -1.022 175 HA ILE 22 HA ILE 22 38.656 4.737 -1.395 176 HB ILE 22 HB ILE 22 37.915 7.669 -1.322 177 HG12 ILE 22 1HG1 ILE 22 36.483 6.474 -2.902 178 HG13 ILE 22 2HG1 ILE 22 37.661 7.441 -3.776 179 HG21 ILE 22 1HG2 ILE 22 39.856 7.936 -2.815 180 HG22 ILE 22 2HG2 ILE 22 40.195 6.211 -2.684 181 HG23 ILE 22 3HG2 ILE 22 40.340 7.248 -1.265 182 HD11 ILE 22 1HD1 ILE 22 37.501 5.254 -4.824 183 HD12 ILE 22 2HD1 ILE 22 37.790 4.452 -3.282 184 HD13 ILE 22 3HD1 ILE 22 39.077 5.386 -4.045 185 H PHE 23 H PHE 23 37.350 6.771 1.210 186 HA PHE 23 HA PHE 23 39.780 7.262 2.547 187 HB2 PHE 23 1HB PHE 23 37.627 8.314 3.145 188 HB3 PHE 23 2HB PHE 23 37.059 6.775 3.763 189 HD1 PHE 23 HD1 PHE 23 39.427 9.565 4.292 190 HD2 PHE 23 HD2 PHE 23 37.776 5.945 5.912 191 HE1 PHE 23 HE1 PHE 23 40.419 10.102 6.501 192 HE2 PHE 23 HE2 PHE 23 38.768 6.482 8.120 193 HZ PHE 23 HZ PHE 23 40.090 8.560 8.415 194 H LEU 24 H LEU 24 37.579 4.478 2.682 195 HA LEU 24 HA LEU 24 38.985 3.007 4.640 196 HB2 LEU 24 1HB LEU 24 36.738 2.395 3.742 197 HB3 LEU 24 2HB LEU 24 37.517 1.872 2.249 198 HG LEU 24 HG LEU 24 38.953 0.328 3.651 199 HD11 LEU 24 1HD1 LEU 24 37.832 -0.225 5.906 200 HD12 LEU 24 2HD1 LEU 24 37.031 1.338 5.751 201 HD13 LEU 24 3HD1 LEU 24 38.790 1.254 5.830 202 HD21 LEU 24 1HD2 LEU 24 37.128 -0.642 2.442 203 HD22 LEU 24 2HD2 LEU 24 35.943 0.022 3.567 204 HD23 LEU 24 3HD2 LEU 24 37.014 -1.280 4.083 205 H ILE 25 H ILE 25 39.489 3.301 1.146 206 HA ILE 25 HA ILE 25 41.488 1.331 0.903 207 HB ILE 25 HB ILE 25 41.240 3.894 -0.692 208 HG12 ILE 25 1HG1 ILE 25 40.115 1.132 -1.254 209 HG13 ILE 25 2HG1 ILE 25 39.164 2.473 -0.617 210 HG21 ILE 25 1HG2 ILE 25 42.481 2.707 -2.401 211 HG22 ILE 25 2HG2 ILE 25 42.470 1.226 -1.443 212 HG23 ILE 25 3HG2 ILE 25 43.407 2.619 -0.902 213 HD11 ILE 25 1HD1 ILE 25 40.435 2.189 -3.331 214 HD12 ILE 25 2HD1 ILE 25 40.078 3.788 -2.678 215 HD13 ILE 25 3HD1 ILE 25 38.775 2.625 -2.926 216 H LYS 26 H LYS 26 41.681 4.721 1.923 217 HA LYS 26 HA LYS 26 44.488 4.931 1.985 218 HB2 LYS 26 1HB LYS 26 42.432 6.212 3.799 219 HB3 LYS 26 2HB LYS 26 44.127 6.687 3.704 220 HG2 LYS 26 1HG LYS 26 43.833 7.133 1.269 221 HG3 LYS 26 2HG LYS 26 42.115 6.767 1.439 222 HD2 LYS 26 1HD LYS 26 41.945 8.577 3.153 223 HD3 LYS 26 2HD LYS 26 43.630 8.991 2.834 224 HE2 LYS 26 1HE LYS 26 43.024 9.335 0.421 225 HE3 LYS 26 2HE LYS 26 41.334 9.091 0.859 226 HZ1 LYS 26 1HZ LYS 26 41.716 11.403 0.886 227 HZ2 LYS 26 2HZ LYS 26 43.152 11.241 1.779 228 HZ3 LYS 26 3HZ LYS 26 41.652 10.925 2.513 229 H ILE 27 H ILE 27 42.213 3.545 4.327 230 HA ILE 27 HA ILE 27 44.076 3.034 6.387 231 HB ILE 27 HB ILE 27 41.724 1.295 5.615 232 HG12 ILE 27 1HG1 ILE 27 40.989 3.622 5.867 233 HG13 ILE 27 2HG1 ILE 27 40.433 2.658 7.230 234 HG21 ILE 27 1HG2 ILE 27 43.147 1.735 8.254 235 HG22 ILE 27 2HG2 ILE 27 43.254 0.288 7.251 236 HG23 ILE 27 3HG2 ILE 27 41.725 0.721 8.015 237 HD11 ILE 27 1HD1 ILE 27 42.838 4.509 7.211 238 HD12 ILE 27 2HD1 ILE 27 42.356 3.500 8.576 239 HD13 ILE 27 3HD1 ILE 27 41.303 4.801 8.025 240 H LEU 28 H LEU 28 43.190 1.123 3.531 241 HA LEU 28 HA LEU 28 44.909 -1.056 4.035 242 HB2 LEU 28 1HB LEU 28 43.729 0.095 1.531 243 HB3 LEU 28 2HB LEU 28 44.952 -1.157 1.412 244 HG LEU 28 HG LEU 28 42.632 -2.046 1.364 245 HD11 LEU 28 1HD1 LEU 28 43.831 -2.994 3.938 246 HD12 LEU 28 2HD1 LEU 28 44.731 -3.205 2.436 247 HD13 LEU 28 3HD1 LEU 28 43.133 -3.929 2.615 248 HD21 LEU 28 1HD2 LEU 28 42.415 -1.373 4.292 249 HD22 LEU 28 2HD2 LEU 28 41.145 -1.880 3.177 250 HD23 LEU 28 3HD2 LEU 28 41.823 -0.257 3.061 251 H ALA 29 H ALA 29 45.561 2.111 2.649 252 HA ALA 29 HA ALA 29 48.154 1.607 1.685 253 HB1 ALA 29 1HB ALA 29 46.633 3.703 1.425 254 HB2 ALA 29 2HB ALA 29 48.383 3.920 1.492 255 HB3 ALA 29 3HB ALA 29 47.399 4.236 2.922 256 H ALA 30 H ALA 30 47.006 2.537 4.909 257 HA ALA 30 HA ALA 30 49.529 2.957 6.090 258 HB1 ALA 30 1HB ALA 30 47.688 3.647 7.379 259 HB2 ALA 30 2HB ALA 30 48.276 2.220 8.232 260 HB3 ALA 30 3HB ALA 30 46.860 2.101 7.189 261 H SER 31 H SER 31 47.579 0.008 5.744 262 HA SER 31 HA SER 31 49.347 -1.762 7.038 263 HB2 SER 31 1HB SER 31 47.027 -2.323 6.278 264 HB3 SER 31 2HB SER 31 47.631 -2.380 4.625 265 HG SER 31 HG SER 31 48.289 -4.016 6.839 266 H ALA 32 H ALA 32 49.341 -0.481 3.737 267 HA ALA 32 HA ALA 32 51.300 -2.212 2.666 268 HB1 ALA 32 1HB ALA 32 51.358 -0.777 0.831 269 HB2 ALA 32 2HB ALA 32 51.089 0.659 1.818 270 HB3 ALA 32 3HB ALA 32 49.758 -0.453 1.497 271 H LEU 33 H LEU 33 51.572 0.903 4.363 272 HA LEU 33 HA LEU 33 54.345 1.245 4.060 273 HB2 LEU 33 1HB LEU 33 52.720 2.937 4.938 274 HB3 LEU 33 2HB LEU 33 52.684 2.048 6.457 275 HG LEU 33 HG LEU 33 55.365 2.805 5.349 276 HD11 LEU 33 1HD1 LEU 33 55.259 5.034 6.276 277 HD12 LEU 33 2HD1 LEU 33 53.633 4.751 6.900 278 HD13 LEU 33 3HD1 LEU 33 53.907 4.852 5.160 279 HD21 LEU 33 1HD2 LEU 33 55.561 3.281 7.943 280 HD22 LEU 33 2HD2 LEU 33 55.563 1.621 7.355 281 HD23 LEU 33 3HD2 LEU 33 54.089 2.315 8.026 282 H TRP 34 H TRP 34 52.477 -0.609 6.450 283 HA TRP 34 HA TRP 34 54.626 -1.405 8.086 284 HB2 TRP 34 1HB TRP 34 52.168 -1.813 8.482 285 HB3 TRP 34 2HB TRP 34 52.272 -3.127 7.327 286 HD1 TRP 34 HD1 TRP 34 53.473 -2.071 10.799 287 HE1 TRP 34 HE1 TRP 34 54.192 -4.176 12.100 288 HE3 TRP 34 HE3 TRP 34 53.101 -5.565 7.094 289 HZ2 TRP 34 HZ2 TRP 34 54.560 -6.977 11.631 290 HZ3 TRP 34 HZ3 TRP 34 53.640 -7.938 7.546 291 HH2 TRP 34 HH2 TRP 34 54.369 -8.650 9.805 292 H ALA 35 H ALA 35 53.489 -2.685 4.990 293 HA ALA 35 HA ALA 35 55.237 -4.892 4.825 294 HB1 ALA 35 1HB ALA 35 53.275 -4.118 3.262 295 HB2 ALA 35 2HB ALA 35 54.625 -5.035 2.593 296 HB3 ALA 35 3HB ALA 35 54.561 -3.285 2.390 297 H ALA 36 H ALA 36 55.695 -1.488 3.983 298 HA ALA 36 HA ALA 36 58.176 -1.740 2.688 299 HB1 ALA 36 1HB ALA 36 57.629 0.653 4.392 300 HB2 ALA 36 2HB ALA 36 56.555 0.325 3.031 301 HB3 ALA 36 3HB ALA 36 58.282 0.565 2.757 302 H ALA 37 H ALA 37 57.382 -1.336 6.121 303 HA ALA 37 HA ALA 37 60.032 -1.166 7.072 304 HB1 ALA 37 1HB ALA 37 59.135 -1.366 9.188 305 HB2 ALA 37 2HB ALA 37 57.947 -2.569 8.686 306 HB3 ALA 37 3HB ALA 37 57.705 -0.869 8.283 307 H TRP 38 H TRP 38 57.951 -3.957 6.457 308 HA TRP 38 HA TRP 38 59.577 -5.984 7.444 309 HB2 TRP 38 1HB TRP 38 57.254 -6.268 6.649 310 HB3 TRP 38 2HB TRP 38 57.819 -6.101 4.998 311 HD1 TRP 38 HD1 TRP 38 58.356 -8.271 3.808 312 HE1 TRP 38 HE1 TRP 38 58.844 -10.697 4.526 313 HE3 TRP 38 HE3 TRP 38 58.440 -7.690 8.881 314 HZ2 TRP 38 HZ2 TRP 38 59.223 -12.197 6.937 315 HZ3 TRP 38 HZ3 TRP 38 58.867 -9.628 10.361 316 HH2 TRP 38 HH2 TRP 38 59.258 -11.878 9.400 317 H HIS 39 H HIS 39 59.834 -4.267 4.357 318 HA HIS 39 HA HIS 39 62.058 -5.884 3.468 319 HB2 HIS 39 1HB HIS 39 61.138 -3.128 2.621 320 HB3 HIS 39 2HB HIS 39 62.388 -4.058 1.817 321 HD1 HIS 39 HD1 HIS 39 58.686 -3.795 2.242 322 HD2 HIS 39 HD2 HIS 39 61.405 -6.250 0.251 323 HE1 HIS 39 HE1 HIS 39 57.335 -5.186 0.616 324 H GLY 40 H GLY 40 61.928 -2.421 4.310 325 HA2 GLY 40 1HA GLY 40 63.994 -2.905 6.335 326 HA3 GLY 40 2HA GLY 40 64.274 -1.631 5.149 327 H GLN 41 H GLN 41 62.976 -2.260 8.186 328 HA GLN 41 HA GLN 41 61.148 -0.272 8.602 329 HB2 GLN 41 1HB GLN 41 62.101 -1.755 10.365 330 HB3 GLN 41 2HB GLN 41 63.556 -0.758 10.367 331 HG2 GLN 41 1HG GLN 41 62.232 1.213 10.984 332 HG3 GLN 41 2HG GLN 41 60.755 0.254 10.933 333 HE21 GLN 41 1HE2 GLN 41 61.257 1.499 13.326 334 HE22 GLN 41 2HE2 GLN 41 61.797 0.387 14.489 335 H LYS 42 H LYS 42 61.159 1.942 8.936 336 HA LYS 42 HA LYS 42 62.759 3.445 7.239 337 HB2 LYS 42 1HB LYS 42 61.117 4.276 9.634 338 HB3 LYS 42 2HB LYS 42 61.877 5.429 8.536 339 HG2 LYS 42 1HG LYS 42 60.688 4.097 6.652 340 HG3 LYS 42 2HG LYS 42 59.686 3.443 7.949 341 HD2 LYS 42 1HD LYS 42 58.925 5.633 8.580 342 HD3 LYS 42 2HD LYS 42 60.107 6.412 7.525 343 HE2 LYS 42 1HE LYS 42 58.988 5.652 5.553 344 HE3 LYS 42 2HE LYS 42 57.967 4.549 6.476 345 HZ1 LYS 42 1HZ LYS 42 57.912 7.516 6.548 346 HZ2 LYS 42 2HZ LYS 42 57.031 6.522 7.607 347 HZ3 LYS 42 3HZ LYS 42 56.708 6.487 5.939 348 HA PRO 43 HA PRO 43 66.599 3.954 9.442 349 HB2 PRO 43 1HB PRO 43 66.582 6.827 8.665 350 HB3 PRO 43 2HB PRO 43 67.807 5.581 8.362 351 HG2 PRO 43 1HG PRO 43 66.222 6.482 6.425 352 HG3 PRO 43 2HG PRO 43 66.738 4.787 6.500 353 HD2 PRO 43 1HD PRO 43 64.080 5.972 7.190 354 HD3 PRO 43 2HD PRO 43 64.461 4.395 6.462 355 H GLY 44 H GLY 44 67.300 4.645 11.463 356 HA2 GLY 44 1HA GLY 44 65.416 5.441 13.360 357 HA3 GLY 44 2HA GLY 44 67.158 5.529 13.584 358 H THR 45 H THR 45 67.422 7.430 11.265 359 HA THR 45 HA THR 45 67.314 9.867 12.635 360 HB THR 45 HB THR 45 67.169 9.473 9.636 361 HG1 THR 45 HG1 THR 45 69.320 9.243 9.706 362 HG21 THR 45 1HG2 THR 45 67.859 11.760 11.463 363 HG22 THR 45 2HG2 THR 45 66.826 11.757 10.033 364 HG23 THR 45 3HG2 THR 45 68.578 11.662 9.855 365 H HIS 46 H HIS 46 65.852 11.556 12.671 366 HA HIS 46 HA HIS 46 63.162 11.006 11.549 367 HB2 HIS 46 1HB HIS 46 63.877 12.312 14.177 368 HB3 HIS 46 2HB HIS 46 62.260 12.241 13.504 369 HD1 HIS 46 HD1 HIS 46 64.835 10.202 15.269 370 HD2 HIS 46 HD2 HIS 46 61.046 9.636 13.624 371 HE1 HIS 46 HE1 HIS 46 64.011 7.966 16.122 Start of MODEL 3 1 H ARG 1 3H ARG 1 47.955 13.051 -10.125 2 HA ARG 1 HA ARG 1 48.011 15.345 -9.425 3 HB2 ARG 1 1HB ARG 1 45.464 14.537 -10.860 4 HB3 ARG 1 2HB ARG 1 46.148 16.164 -10.856 5 HG2 ARG 1 1HG ARG 1 48.244 15.252 -11.845 6 HG3 ARG 1 2HG ARG 1 47.482 13.663 -11.933 7 HD2 ARG 1 1HD ARG 1 45.650 14.704 -13.313 8 HD3 ARG 1 2HD ARG 1 46.597 16.187 -13.352 9 HE ARG 1 HE ARG 1 47.896 15.215 -14.981 10 HH11 ARG 1 1HH1 ARG 1 46.382 12.621 -13.160 11 HH12 ARG 1 2HH1 ARG 1 47.037 11.388 -14.186 12 HH21 ARG 1 1HH2 ARG 1 48.705 13.583 -16.265 13 HH22 ARG 1 2HH2 ARG 1 48.333 11.927 -15.922 14 H SER 2 H SER 2 47.523 16.672 -7.805 15 HA SER 2 HA SER 2 45.796 16.036 -5.705 16 HB2 SER 2 1HB SER 2 46.742 18.787 -6.531 17 HB3 SER 2 2HB SER 2 46.143 18.321 -4.943 18 HG SER 2 HG SER 2 48.129 17.760 -4.555 19 H LEU 3 H LEU 3 45.084 17.627 -8.742 20 HA LEU 3 HA LEU 3 42.794 19.066 -8.046 21 HB2 LEU 3 1HB LEU 3 43.976 19.193 -10.228 22 HB3 LEU 3 2HB LEU 3 43.311 17.616 -10.649 23 HG LEU 3 HG LEU 3 41.007 18.573 -10.292 24 HD11 LEU 3 1HD1 LEU 3 41.288 20.451 -8.916 25 HD12 LEU 3 2HD1 LEU 3 41.066 21.184 -10.506 26 HD13 LEU 3 3HD1 LEU 3 42.686 21.027 -9.825 27 HD21 LEU 3 1HD2 LEU 3 41.040 19.913 -12.407 28 HD22 LEU 3 2HD2 LEU 3 41.909 18.384 -12.548 29 HD23 LEU 3 3HD2 LEU 3 42.803 19.892 -12.351 30 H LEU 4 H LEU 4 43.192 15.607 -8.434 31 HA LEU 4 HA LEU 4 40.542 14.871 -8.998 32 HB2 LEU 4 1HB LEU 4 42.874 13.524 -8.682 33 HB3 LEU 4 2HB LEU 4 42.087 13.112 -7.168 34 HG LEU 4 HG LEU 4 41.562 11.418 -8.810 35 HD11 LEU 4 1HD1 LEU 4 39.721 12.358 -7.252 36 HD12 LEU 4 2HD1 LEU 4 39.224 11.338 -8.603 37 HD13 LEU 4 3HD1 LEU 4 39.061 13.091 -8.714 38 HD21 LEU 4 1HD2 LEU 4 40.748 11.830 -10.969 39 HD22 LEU 4 2HD2 LEU 4 41.936 13.114 -10.745 40 HD23 LEU 4 3HD2 LEU 4 40.217 13.462 -10.560 41 H GLU 5 H GLU 5 42.008 15.912 -6.001 42 HA GLU 5 HA GLU 5 39.740 15.067 -4.386 43 HB2 GLU 5 1HB GLU 5 42.105 15.030 -3.566 44 HB3 GLU 5 2HB GLU 5 42.092 16.792 -3.598 45 HG2 GLU 5 1HG GLU 5 40.153 16.783 -2.043 46 HG3 GLU 5 2HG GLU 5 40.235 15.028 -1.977 47 H GLY 6 H GLY 6 40.642 17.913 -6.153 48 HA2 GLY 6 1HA GLY 6 38.884 19.638 -4.593 49 HA3 GLY 6 2HA GLY 6 39.920 20.133 -5.918 50 H GLU 7 H GLU 7 38.135 17.412 -6.896 51 HA GLU 7 HA GLU 7 36.443 19.114 -8.557 52 HB2 GLU 7 1HB GLU 7 37.697 17.142 -9.485 53 HB3 GLU 7 2HB GLU 7 36.658 16.094 -8.520 54 HG2 GLU 7 1HG GLU 7 34.670 17.068 -9.650 55 HG3 GLU 7 2HG GLU 7 35.738 18.041 -10.652 56 H ILE 8 H ILE 8 34.174 18.982 -8.589 57 HA ILE 8 HA ILE 8 33.094 18.503 -5.983 58 HB ILE 8 HB ILE 8 31.109 19.572 -6.625 59 HG12 ILE 8 1HG1 ILE 8 30.601 18.376 -8.711 60 HG13 ILE 8 2HG1 ILE 8 30.449 20.114 -8.916 61 HG21 ILE 8 1HG2 ILE 8 32.893 21.145 -6.429 62 HG22 ILE 8 2HG2 ILE 8 31.896 21.642 -7.796 63 HG23 ILE 8 3HG2 ILE 8 33.435 20.827 -8.077 64 HD11 ILE 8 1HD1 ILE 8 32.737 20.149 -9.931 65 HD12 ILE 8 2HD1 ILE 8 31.590 19.173 -10.846 66 HD13 ILE 8 3HD1 ILE 8 32.777 18.390 -9.806 67 HA PRO 9 HA PRO 9 31.589 14.375 -6.773 68 HB2 PRO 9 1HB PRO 9 29.467 14.228 -5.044 69 HB3 PRO 9 2HB PRO 9 31.160 14.092 -4.530 70 HG2 PRO 9 1HG PRO 9 29.324 16.423 -4.382 71 HG3 PRO 9 2HG PRO 9 30.538 15.861 -3.218 72 HD2 PRO 9 1HD PRO 9 30.982 17.959 -4.900 73 HD3 PRO 9 2HD PRO 9 32.282 16.900 -4.316 74 H PHE 10 H PHE 10 29.980 13.322 -7.995 75 HA PHE 10 HA PHE 10 28.422 14.803 -9.768 76 HB2 PHE 10 1HB PHE 10 28.391 11.953 -8.872 77 HB3 PHE 10 2HB PHE 10 27.090 12.540 -9.890 78 HD1 PHE 10 HD1 PHE 10 27.514 13.218 -12.209 79 HD2 PHE 10 HD2 PHE 10 30.664 11.720 -9.702 80 HE1 PHE 10 HE1 PHE 10 28.946 12.888 -14.206 81 HE2 PHE 10 HE2 PHE 10 32.098 11.390 -11.700 82 HZ PHE 10 HZ PHE 10 31.237 11.973 -13.952 83 HA PRO 11 HA PRO 11 25.286 16.558 -7.513 84 HB2 PRO 11 1HB PRO 11 23.135 15.570 -9.309 85 HB3 PRO 11 2HB PRO 11 23.590 17.230 -8.883 86 HG2 PRO 11 1HG PRO 11 24.151 16.170 -11.267 87 HG3 PRO 11 2HG PRO 11 25.226 17.335 -10.472 88 HD2 PRO 11 1HD PRO 11 25.559 14.387 -10.787 89 HD3 PRO 11 2HD PRO 11 26.787 15.670 -10.722 90 HA PRO 12 HA PRO 12 22.473 12.848 -6.094 91 HB2 PRO 12 1HB PRO 12 24.149 10.560 -6.944 92 HB3 PRO 12 2HB PRO 12 22.387 10.728 -6.943 93 HG2 PRO 12 1HG PRO 12 23.845 10.774 -9.196 94 HG3 PRO 12 2HG PRO 12 22.334 11.679 -9.006 95 HD2 PRO 12 1HD PRO 12 25.139 12.689 -9.003 96 HD3 PRO 12 2HD PRO 12 23.647 13.495 -9.532 97 H THR 13 H THR 13 22.877 12.468 -3.956 98 HA THR 13 HA THR 13 25.373 12.976 -2.777 99 HB THR 13 HB THR 13 23.118 11.343 -1.602 100 HG1 THR 13 HG1 THR 13 23.576 14.142 -1.594 101 HG21 THR 13 1HG2 THR 13 25.297 13.045 -0.358 102 HG22 THR 13 2HG2 THR 13 25.213 11.284 -0.317 103 HG23 THR 13 3HG2 THR 13 23.998 12.245 0.527 104 H SER 14 H SER 14 24.143 10.026 -4.187 105 HA SER 14 HA SER 14 25.354 8.163 -2.460 106 HB2 SER 14 1HB SER 14 24.946 6.534 -4.203 107 HB3 SER 14 2HB SER 14 23.577 7.636 -4.123 108 HG SER 14 HG SER 14 25.576 7.357 -6.058 109 H ILE 15 H ILE 15 26.615 9.854 -5.313 110 HA ILE 15 HA ILE 15 28.937 8.265 -5.622 111 HB ILE 15 HB ILE 15 28.478 11.173 -6.327 112 HG12 ILE 15 1HG1 ILE 15 28.508 9.867 -8.686 113 HG13 ILE 15 2HG1 ILE 15 27.976 8.536 -7.665 114 HG21 ILE 15 1HG2 ILE 15 30.394 10.680 -7.974 115 HG22 ILE 15 2HG2 ILE 15 30.762 9.291 -6.952 116 HG23 ILE 15 3HG2 ILE 15 30.844 10.922 -6.286 117 HD11 ILE 15 1HD1 ILE 15 25.974 9.552 -7.151 118 HD12 ILE 15 2HD1 ILE 15 26.239 10.221 -8.762 119 HD13 ILE 15 3HD1 ILE 15 26.624 11.182 -7.333 120 H LEU 16 H LEU 16 28.232 11.006 -3.475 121 HA LEU 16 HA LEU 16 30.842 11.386 -2.483 122 HB2 LEU 16 1HB LEU 16 28.860 12.859 -2.031 123 HB3 LEU 16 2HB LEU 16 28.265 11.630 -0.916 124 HG LEU 16 HG LEU 16 30.641 11.821 0.162 125 HD11 LEU 16 1HD1 LEU 16 30.480 14.639 -0.861 126 HD12 LEU 16 2HD1 LEU 16 31.254 13.409 -1.858 127 HD13 LEU 16 3HD1 LEU 16 31.875 13.753 -0.244 128 HD21 LEU 16 1HD2 LEU 16 28.753 12.468 1.445 129 HD22 LEU 16 2HD2 LEU 16 28.393 13.825 0.378 130 HD23 LEU 16 3HD2 LEU 16 29.792 13.894 1.448 131 H LEU 17 H LEU 17 28.296 9.087 -1.566 132 HA LEU 17 HA LEU 17 29.590 7.971 0.676 133 HB2 LEU 17 1HB LEU 17 27.219 7.557 -0.069 134 HB3 LEU 17 2HB LEU 17 27.861 6.460 -1.288 135 HG LEU 17 HG LEU 17 28.748 6.086 1.552 136 HD11 LEU 17 1HD1 LEU 17 26.285 6.360 1.692 137 HD12 LEU 17 2HD1 LEU 17 26.783 4.705 2.044 138 HD13 LEU 17 3HD1 LEU 17 26.090 5.102 0.471 139 HD21 LEU 17 1HD2 LEU 17 29.779 4.541 0.141 140 HD22 LEU 17 2HD2 LEU 17 28.385 4.439 -0.932 141 HD23 LEU 17 3HD2 LEU 17 28.355 3.628 0.633 142 H LEU 18 H LEU 18 29.878 7.227 -2.777 143 HA LEU 18 HA LEU 18 31.608 5.016 -2.519 144 HB2 LEU 18 1HB LEU 18 31.107 7.005 -4.706 145 HB3 LEU 18 2HB LEU 18 32.435 5.854 -4.852 146 HG LEU 18 HG LEU 18 30.748 4.025 -4.310 147 HD11 LEU 18 1HD1 LEU 18 28.876 6.363 -4.742 148 HD12 LEU 18 2HD1 LEU 18 28.959 5.297 -3.339 149 HD13 LEU 18 3HD1 LEU 18 28.361 4.683 -4.881 150 HD21 LEU 18 1HD2 LEU 18 30.480 5.715 -6.811 151 HD22 LEU 18 2HD2 LEU 18 29.747 4.120 -6.640 152 HD23 LEU 18 3HD2 LEU 18 31.502 4.295 -6.582 153 H LEU 19 H LEU 19 32.276 8.492 -2.523 154 HA LEU 19 HA LEU 19 35.084 8.337 -2.616 155 HB2 LEU 19 1HB LEU 19 33.406 10.348 -1.103 156 HB3 LEU 19 2HB LEU 19 35.090 10.549 -1.583 157 HG LEU 19 HG LEU 19 32.775 10.139 -3.501 158 HD11 LEU 19 1HD1 LEU 19 32.765 12.441 -3.885 159 HD12 LEU 19 2HD1 LEU 19 34.400 12.658 -3.259 160 HD13 LEU 19 3HD1 LEU 19 33.059 12.380 -2.148 161 HD21 LEU 19 1HD2 LEU 19 35.749 10.545 -3.840 162 HD22 LEU 19 2HD2 LEU 19 34.619 10.991 -5.119 163 HD23 LEU 19 3HD2 LEU 19 34.719 9.316 -4.574 164 H ALA 20 H ALA 20 32.848 7.977 0.095 165 HA ALA 20 HA ALA 20 34.771 7.870 2.155 166 HB1 ALA 20 1HB ALA 20 33.063 7.114 3.517 167 HB2 ALA 20 2HB ALA 20 32.366 6.095 2.258 168 HB3 ALA 20 3HB ALA 20 32.130 7.843 2.209 169 H CYS 21 H CYS 21 33.453 5.331 0.060 170 HA CYS 21 HA CYS 21 34.803 3.158 1.242 171 HB2 CYS 21 1HB CYS 21 33.947 3.568 -1.633 172 HB3 CYS 21 2HB CYS 21 34.467 2.028 -0.949 173 HG CYS 21 HG CYS 21 31.898 2.052 -0.670 174 H ILE 22 H ILE 22 35.788 5.394 -1.336 175 HA ILE 22 HA ILE 22 38.218 4.124 -1.980 176 HB ILE 22 HB ILE 22 37.553 7.078 -2.107 177 HG12 ILE 22 1HG1 ILE 22 37.399 4.959 -4.269 178 HG13 ILE 22 2HG1 ILE 22 36.006 5.468 -3.321 179 HG21 ILE 22 1HG2 ILE 22 39.642 5.427 -3.571 180 HG22 ILE 22 2HG2 ILE 22 39.980 6.597 -2.295 181 HG23 ILE 22 3HG2 ILE 22 39.315 7.141 -3.835 182 HD11 ILE 22 1HD1 ILE 22 35.859 7.498 -4.376 183 HD12 ILE 22 2HD1 ILE 22 36.655 6.611 -5.672 184 HD13 ILE 22 3HD1 ILE 22 37.602 7.641 -4.602 185 H PHE 23 H PHE 23 37.397 6.408 0.616 186 HA PHE 23 HA PHE 23 40.017 6.904 1.520 187 HB2 PHE 23 1HB PHE 23 37.982 8.072 2.334 188 HB3 PHE 23 2HB PHE 23 37.523 6.617 3.199 189 HD1 PHE 23 HD1 PHE 23 38.724 5.916 5.213 190 HD2 PHE 23 HD2 PHE 23 39.833 9.473 3.076 191 HE1 PHE 23 HE1 PHE 23 40.090 6.652 7.147 192 HE2 PHE 23 HE2 PHE 23 41.199 10.210 5.010 193 HZ PHE 23 HZ PHE 23 41.327 8.799 7.045 194 H LEU 24 H LEU 24 37.793 4.219 2.204 195 HA LEU 24 HA LEU 24 39.432 2.869 4.064 196 HB2 LEU 24 1HB LEU 24 37.571 1.641 2.017 197 HB3 LEU 24 2HB LEU 24 38.183 0.855 3.470 198 HG LEU 24 HG LEU 24 36.494 3.374 3.454 199 HD11 LEU 24 1HD1 LEU 24 35.020 1.653 2.810 200 HD12 LEU 24 2HD1 LEU 24 34.846 1.695 4.564 201 HD13 LEU 24 3HD1 LEU 24 35.841 0.452 3.806 202 HD21 LEU 24 1HD2 LEU 24 36.276 2.677 5.926 203 HD22 LEU 24 2HD2 LEU 24 37.820 3.372 5.432 204 HD23 LEU 24 3HD2 LEU 24 37.661 1.626 5.630 205 H ILE 25 H ILE 25 39.426 2.842 0.516 206 HA ILE 25 HA ILE 25 41.379 0.836 0.178 207 HB ILE 25 HB ILE 25 40.946 3.265 -1.580 208 HG12 ILE 25 1HG1 ILE 25 39.730 0.493 -1.774 209 HG13 ILE 25 2HG1 ILE 25 38.881 1.894 -1.119 210 HG21 ILE 25 1HG2 ILE 25 43.042 2.010 -2.016 211 HG22 ILE 25 2HG2 ILE 25 41.888 1.837 -3.339 212 HG23 ILE 25 3HG2 ILE 25 42.103 0.527 -2.179 213 HD11 ILE 25 1HD1 ILE 25 38.195 1.904 -3.358 214 HD12 ILE 25 2HD1 ILE 25 39.774 1.382 -3.945 215 HD13 ILE 25 3HD1 ILE 25 39.547 3.036 -3.375 216 H LYS 26 H LYS 26 41.700 4.296 0.878 217 HA LYS 26 HA LYS 26 44.489 4.495 0.559 218 HB2 LYS 26 1HB LYS 26 42.956 6.425 0.938 219 HB3 LYS 26 2HB LYS 26 42.801 5.927 2.622 220 HG2 LYS 26 1HG LYS 26 45.201 6.203 2.968 221 HG3 LYS 26 2HG LYS 26 45.426 6.603 1.265 222 HD2 LYS 26 1HD LYS 26 45.364 8.678 2.504 223 HD3 LYS 26 2HD LYS 26 43.860 8.549 1.592 224 HE2 LYS 26 1HE LYS 26 42.589 8.083 3.490 225 HE3 LYS 26 2HE LYS 26 43.976 7.474 4.393 226 HZ1 LYS 26 1HZ LYS 26 43.826 9.501 5.341 227 HZ2 LYS 26 2HZ LYS 26 43.071 10.212 3.995 228 HZ3 LYS 26 3HZ LYS 26 44.752 9.965 3.998 229 H ILE 27 H ILE 27 42.542 3.344 3.295 230 HA ILE 27 HA ILE 27 44.671 2.942 5.103 231 HB ILE 27 HB ILE 27 42.165 1.263 4.812 232 HG12 ILE 27 1HG1 ILE 27 42.696 3.670 6.580 233 HG13 ILE 27 2HG1 ILE 27 41.785 3.740 5.071 234 HG21 ILE 27 1HG2 ILE 27 42.534 0.741 7.180 235 HG22 ILE 27 2HG2 ILE 27 43.989 1.739 7.191 236 HG23 ILE 27 3HG2 ILE 27 43.943 0.258 6.235 237 HD11 ILE 27 1HD1 ILE 27 40.383 1.798 6.139 238 HD12 ILE 27 2HD1 ILE 27 40.080 3.460 6.646 239 HD13 ILE 27 3HD1 ILE 27 41.055 2.393 7.657 240 H LEU 28 H LEU 28 43.454 0.915 2.458 241 HA LEU 28 HA LEU 28 45.079 -1.335 2.928 242 HB2 LEU 28 1HB LEU 28 43.214 -1.199 1.249 243 HB3 LEU 28 2HB LEU 28 44.301 -0.285 0.205 244 HG LEU 28 HG LEU 28 45.948 -2.203 0.414 245 HD11 LEU 28 1HD1 LEU 28 45.256 -3.415 2.301 246 HD12 LEU 28 2HD1 LEU 28 44.656 -4.407 0.972 247 HD13 LEU 28 3HD1 LEU 28 43.554 -3.340 1.844 248 HD21 LEU 28 1HD2 LEU 28 44.819 -3.536 -1.282 249 HD22 LEU 28 2HD2 LEU 28 44.430 -1.837 -1.551 250 HD23 LEU 28 3HD2 LEU 28 43.250 -2.901 -0.787 251 H ALA 29 H ALA 29 45.780 1.703 1.269 252 HA ALA 29 HA ALA 29 48.384 1.072 0.383 253 HB1 ALA 29 1HB ALA 29 46.924 3.159 -0.096 254 HB2 ALA 29 2HB ALA 29 48.671 3.366 0.021 255 HB3 ALA 29 3HB ALA 29 47.639 3.806 1.381 256 H ALA 30 H ALA 30 47.203 2.273 3.496 257 HA ALA 30 HA ALA 30 49.683 2.769 4.709 258 HB1 ALA 30 1HB ALA 30 47.202 3.154 5.535 259 HB2 ALA 30 2HB ALA 30 48.516 2.953 6.693 260 HB3 ALA 30 3HB ALA 30 47.456 1.594 6.319 261 H SER 31 H SER 31 47.863 -0.242 4.328 262 HA SER 31 HA SER 31 49.448 -1.889 5.965 263 HB2 SER 31 1HB SER 31 48.078 -2.643 3.373 264 HB3 SER 31 2HB SER 31 48.604 -3.752 4.634 265 HG SER 31 HG SER 31 46.293 -2.784 4.524 266 H ALA 32 H ALA 32 49.930 -0.790 2.629 267 HA ALA 32 HA ALA 32 52.133 -2.462 2.017 268 HB1 ALA 32 1HB ALA 32 52.030 0.339 0.976 269 HB2 ALA 32 2HB ALA 32 50.733 -0.771 0.533 270 HB3 ALA 32 3HB ALA 32 52.405 -1.161 0.126 271 H LEU 33 H LEU 33 51.943 0.785 3.453 272 HA LEU 33 HA LEU 33 54.704 1.191 3.809 273 HB2 LEU 33 1HB LEU 33 52.860 2.879 4.112 274 HB3 LEU 33 2HB LEU 33 52.519 2.138 5.672 275 HG LEU 33 HG LEU 33 55.359 2.908 5.100 276 HD11 LEU 33 1HD1 LEU 33 53.875 4.845 4.372 277 HD12 LEU 33 2HD1 LEU 33 55.026 5.212 5.657 278 HD13 LEU 33 3HD1 LEU 33 53.327 4.941 6.046 279 HD21 LEU 33 1HD2 LEU 33 55.124 1.954 7.223 280 HD22 LEU 33 2HD2 LEU 33 53.527 2.656 7.471 281 HD23 LEU 33 3HD2 LEU 33 54.965 3.668 7.598 282 H TRP 34 H TRP 34 52.352 -0.597 5.769 283 HA TRP 34 HA TRP 34 53.970 -1.052 8.021 284 HB2 TRP 34 1HB TRP 34 51.532 -1.605 7.813 285 HB3 TRP 34 2HB TRP 34 51.988 -2.995 6.847 286 HD1 TRP 34 HD1 TRP 34 52.599 -5.143 8.088 287 HE1 TRP 34 HE1 TRP 34 52.896 -5.788 10.565 288 HE3 TRP 34 HE3 TRP 34 52.396 -0.514 10.234 289 HZ2 TRP 34 HZ2 TRP 34 53.029 -4.508 13.124 290 HZ3 TRP 34 HZ3 TRP 34 52.610 -0.256 12.686 291 HH2 TRP 34 HH2 TRP 34 52.926 -2.242 14.134 292 H ALA 35 H ALA 35 53.883 -2.684 4.886 293 HA ALA 35 HA ALA 35 55.630 -4.809 5.508 294 HB1 ALA 35 1HB ALA 35 55.812 -3.463 2.844 295 HB2 ALA 35 2HB ALA 35 54.286 -4.215 3.308 296 HB3 ALA 35 3HB ALA 35 55.759 -5.183 3.231 297 H ALA 36 H ALA 36 56.282 -1.508 4.395 298 HA ALA 36 HA ALA 36 59.091 -1.698 4.273 299 HB1 ALA 36 1HB ALA 36 57.406 0.700 5.036 300 HB2 ALA 36 2HB ALA 36 57.849 0.235 3.394 301 HB3 ALA 36 3HB ALA 36 59.094 0.750 4.531 302 H ALA 37 H ALA 37 56.930 -1.008 6.992 303 HA ALA 37 HA ALA 37 58.908 -0.521 8.926 304 HB1 ALA 37 1HB ALA 37 56.254 -1.852 9.460 305 HB2 ALA 37 2HB ALA 37 56.418 -0.122 9.153 306 HB3 ALA 37 3HB ALA 37 57.201 -0.848 10.559 307 H TRP 38 H TRP 38 57.514 -3.536 7.757 308 HA TRP 38 HA TRP 38 58.565 -5.317 9.612 309 HB2 TRP 38 1HB TRP 38 56.975 -5.799 7.706 310 HB3 TRP 38 2HB TRP 38 58.377 -5.850 6.655 311 HD1 TRP 38 HD1 TRP 38 59.601 -8.086 6.474 312 HE1 TRP 38 HE1 TRP 38 59.464 -10.345 7.706 313 HE3 TRP 38 HE3 TRP 38 56.416 -6.831 10.262 314 HZ2 TRP 38 HZ2 TRP 38 58.171 -11.474 10.000 315 HZ3 TRP 38 HZ3 TRP 38 55.750 -8.512 11.952 316 HH2 TRP 38 HH2 TRP 38 56.620 -10.829 11.829 317 H HIS 39 H HIS 39 60.199 -3.776 6.855 318 HA HIS 39 HA HIS 39 62.700 -5.096 7.446 319 HB2 HIS 39 1HB HIS 39 61.989 -2.646 5.837 320 HB3 HIS 39 2HB HIS 39 63.648 -3.166 6.069 321 HD1 HIS 39 HD1 HIS 39 64.017 -5.832 5.304 322 HD2 HIS 39 HD2 HIS 39 60.841 -3.738 3.598 323 HE1 HIS 39 HE1 HIS 39 63.372 -7.095 3.207 324 H GLY 40 H GLY 40 61.864 -1.618 7.704 325 HA2 GLY 40 1HA GLY 40 62.553 -1.770 10.554 326 HA3 GLY 40 2HA GLY 40 63.345 -0.533 9.583 327 H GLN 41 H GLN 41 60.667 -1.132 11.530 328 HA GLN 41 HA GLN 41 58.780 0.653 10.635 329 HB2 GLN 41 1HB GLN 41 58.184 1.045 12.952 330 HB3 GLN 41 2HB GLN 41 58.612 -0.648 12.731 331 HG2 GLN 41 1HG GLN 41 60.955 -0.036 13.519 332 HG3 GLN 41 2HG GLN 41 60.294 1.533 13.983 333 HE21 GLN 41 1HE2 GLN 41 60.304 1.335 16.267 334 HE22 GLN 41 2HE2 GLN 41 59.468 0.118 17.105 335 H LYS 42 H LYS 42 58.518 2.815 10.472 336 HA LYS 42 HA LYS 42 60.697 4.539 10.268 337 HB2 LYS 42 1HB LYS 42 57.738 4.926 10.518 338 HB3 LYS 42 2HB LYS 42 58.793 6.333 10.635 339 HG2 LYS 42 1HG LYS 42 59.102 4.363 8.375 340 HG3 LYS 42 2HG LYS 42 57.911 5.663 8.286 341 HD2 LYS 42 1HD LYS 42 59.633 7.343 8.580 342 HD3 LYS 42 2HD LYS 42 60.851 6.102 8.873 343 HE2 LYS 42 1HE LYS 42 60.119 5.209 6.517 344 HE3 LYS 42 2HE LYS 42 59.493 6.843 6.297 345 HZ1 LYS 42 1HZ LYS 42 61.824 7.510 7.178 346 HZ2 LYS 42 2HZ LYS 42 61.634 7.059 5.552 347 HZ3 LYS 42 3HZ LYS 42 62.268 5.952 6.674 348 HA PRO 43 HA PRO 43 61.474 5.617 14.612 349 HB2 PRO 43 1HB PRO 43 62.020 8.367 13.626 350 HB3 PRO 43 2HB PRO 43 63.041 7.290 14.598 351 HG2 PRO 43 1HG PRO 43 63.567 7.768 12.035 352 HG3 PRO 43 2HG PRO 43 63.852 6.178 12.765 353 HD2 PRO 43 1HD PRO 43 61.631 7.038 10.949 354 HD3 PRO 43 2HD PRO 43 62.479 5.477 11.037 355 H GLY 44 H GLY 44 59.370 7.423 12.482 356 HA2 GLY 44 1HA GLY 44 58.176 9.227 14.246 357 HA3 GLY 44 2HA GLY 44 57.408 8.556 12.816 358 H THR 45 H THR 45 57.748 5.765 14.034 359 HA THR 45 HA THR 45 55.135 5.497 14.981 360 HB THR 45 HB THR 45 55.799 3.247 15.693 361 HG1 THR 45 HG1 THR 45 58.433 3.935 14.971 362 HG21 THR 45 1HG2 THR 45 55.414 3.620 13.315 363 HG22 THR 45 2HG2 THR 45 56.759 2.497 13.517 364 HG23 THR 45 3HG2 THR 45 57.072 4.184 13.107 365 H HIS 46 H HIS 46 58.026 6.394 16.740 366 HA HIS 46 HA HIS 46 56.413 6.461 19.226 367 HB2 HIS 46 1HB HIS 46 58.159 4.696 19.284 368 HB3 HIS 46 2HB HIS 46 59.377 5.926 19.007 369 HD1 HIS 46 HD1 HIS 46 56.575 5.288 21.526 370 HD2 HIS 46 HD2 HIS 46 60.443 6.836 21.374 371 HE1 HIS 46 HE1 HIS 46 57.199 5.889 23.904 Start of MODEL 4 1 H ARG 1 3H ARG 1 35.074 -2.996 -21.273 2 HA ARG 1 HA ARG 1 33.103 -4.222 -22.391 3 HB2 ARG 1 1HB ARG 1 35.047 -5.246 -21.188 4 HB3 ARG 1 2HB ARG 1 34.160 -5.070 -19.675 5 HG2 ARG 1 1HG ARG 1 33.719 -7.294 -20.349 6 HG3 ARG 1 2HG ARG 1 32.279 -6.400 -20.836 7 HD2 ARG 1 1HD ARG 1 33.218 -6.177 -23.128 8 HD3 ARG 1 2HD ARG 1 34.612 -7.127 -22.629 9 HE ARG 1 HE ARG 1 33.275 -9.045 -22.628 10 HH11 ARG 1 1HH1 ARG 1 31.273 -6.214 -23.193 11 HH12 ARG 1 2HH1 ARG 1 29.908 -7.158 -23.685 12 HH21 ARG 1 1HH2 ARG 1 31.486 -10.203 -23.271 13 HH22 ARG 1 2HH2 ARG 1 30.027 -9.388 -23.728 14 H SER 2 H SER 2 32.866 -3.312 -18.949 15 HA SER 2 HA SER 2 30.267 -4.219 -18.472 16 HB2 SER 2 1HB SER 2 30.289 -2.839 -16.532 17 HB3 SER 2 2HB SER 2 31.958 -3.339 -16.784 18 HG SER 2 HG SER 2 31.134 -0.919 -16.535 19 H LEU 3 H LEU 3 28.244 -3.205 -18.531 20 HA LEU 3 HA LEU 3 28.071 -0.776 -20.212 21 HB2 LEU 3 1HB LEU 3 26.239 -3.188 -20.289 22 HB3 LEU 3 2HB LEU 3 26.050 -1.722 -21.249 23 HG LEU 3 HG LEU 3 28.477 -3.540 -21.341 24 HD11 LEU 3 1HD1 LEU 3 26.444 -4.617 -22.260 25 HD12 LEU 3 2HD1 LEU 3 27.606 -4.240 -23.533 26 HD13 LEU 3 3HD1 LEU 3 26.185 -3.219 -23.304 27 HD21 LEU 3 1HD2 LEU 3 29.110 -1.320 -21.972 28 HD22 LEU 3 2HD2 LEU 3 27.620 -1.081 -22.885 29 HD23 LEU 3 3HD2 LEU 3 28.854 -2.191 -23.484 30 H LEU 4 H LEU 4 25.274 -2.417 -18.787 31 HA LEU 4 HA LEU 4 24.372 -0.059 -17.577 32 HB2 LEU 4 1HB LEU 4 22.601 -1.279 -16.610 33 HB3 LEU 4 2HB LEU 4 22.895 -1.941 -18.197 34 HG LEU 4 HG LEU 4 22.454 -3.782 -16.810 35 HD11 LEU 4 1HD1 LEU 4 24.441 -5.118 -16.794 36 HD12 LEU 4 2HD1 LEU 4 25.468 -3.690 -16.831 37 HD13 LEU 4 3HD1 LEU 4 24.472 -4.094 -18.227 38 HD21 LEU 4 1HD2 LEU 4 24.543 -3.139 -14.775 39 HD22 LEU 4 2HD2 LEU 4 23.059 -4.079 -14.610 40 HD23 LEU 4 3HD2 LEU 4 22.983 -2.318 -14.689 41 H GLU 5 H GLU 5 26.730 -2.277 -16.470 42 HA GLU 5 HA GLU 5 26.403 -1.574 -13.656 43 HB2 GLU 5 1HB GLU 5 27.017 -3.878 -14.429 44 HB3 GLU 5 2HB GLU 5 28.568 -3.230 -14.957 45 HG2 GLU 5 1HG GLU 5 29.007 -2.455 -12.636 46 HG3 GLU 5 2HG GLU 5 27.485 -3.171 -12.127 47 H GLY 6 H GLY 6 28.154 -0.335 -16.349 48 HA2 GLY 6 1HA GLY 6 30.306 0.759 -14.698 49 HA3 GLY 6 2HA GLY 6 30.216 0.805 -16.451 50 H GLU 7 H GLU 7 27.287 1.792 -14.939 51 HA GLU 7 HA GLU 7 27.763 4.519 -15.852 52 HB2 GLU 7 1HB GLU 7 25.630 3.284 -16.332 53 HB3 GLU 7 2HB GLU 7 25.270 3.340 -14.606 54 HG2 GLU 7 1HG GLU 7 25.421 5.821 -14.683 55 HG3 GLU 7 2HG GLU 7 25.698 5.733 -16.416 56 H ILE 8 H ILE 8 27.567 6.357 -14.544 57 HA ILE 8 HA ILE 8 28.664 5.976 -11.922 58 HB ILE 8 HB ILE 8 28.793 8.443 -11.864 59 HG12 ILE 8 1HG1 ILE 8 27.496 8.301 -14.603 60 HG13 ILE 8 2HG1 ILE 8 26.665 8.829 -13.140 61 HG21 ILE 8 1HG2 ILE 8 30.355 8.666 -13.743 62 HG22 ILE 8 2HG2 ILE 8 29.672 7.229 -14.501 63 HG23 ILE 8 3HG2 ILE 8 30.550 7.090 -12.978 64 HD11 ILE 8 1HD1 ILE 8 29.014 10.143 -14.514 65 HD12 ILE 8 2HD1 ILE 8 28.543 10.544 -12.862 66 HD13 ILE 8 3HD1 ILE 8 27.421 10.828 -14.193 67 HA PRO 9 HA PRO 9 24.730 6.316 -9.778 68 HB2 PRO 9 1HB PRO 9 25.903 7.440 -7.383 69 HB3 PRO 9 2HB PRO 9 25.321 5.793 -7.660 70 HG2 PRO 9 1HG PRO 9 27.951 6.579 -7.334 71 HG3 PRO 9 2HG PRO 9 27.390 5.018 -7.950 72 HD2 PRO 9 1HD PRO 9 28.559 7.294 -9.426 73 HD3 PRO 9 2HD PRO 9 28.473 5.579 -9.875 74 H PHE 10 H PHE 10 23.225 7.962 -9.112 75 HA PHE 10 HA PHE 10 23.411 10.268 -10.626 76 HB2 PHE 10 1HB PHE 10 21.730 9.851 -8.157 77 HB3 PHE 10 2HB PHE 10 21.455 11.067 -9.389 78 HD1 PHE 10 HD1 PHE 10 21.239 7.496 -8.545 79 HD2 PHE 10 HD2 PHE 10 20.555 10.457 -11.582 80 HE1 PHE 10 HE1 PHE 10 19.853 5.876 -9.813 81 HE2 PHE 10 HE2 PHE 10 19.170 8.838 -12.849 82 HZ PHE 10 HZ PHE 10 18.818 6.548 -11.964 83 HA PRO 11 HA PRO 11 26.072 12.977 -8.335 84 HB2 PRO 11 1HB PRO 11 24.270 15.248 -8.937 85 HB3 PRO 11 2HB PRO 11 25.991 15.024 -9.297 86 HG2 PRO 11 1HG PRO 11 24.122 14.849 -11.183 87 HG3 PRO 11 2HG PRO 11 25.578 13.837 -11.205 88 HD2 PRO 11 1HD PRO 11 22.781 13.090 -10.449 89 HD3 PRO 11 2HD PRO 11 24.031 12.137 -11.282 90 HA PRO 12 HA PRO 12 22.835 15.305 -5.484 91 HB2 PRO 12 1HB PRO 12 21.273 12.936 -4.572 92 HB3 PRO 12 2HB PRO 12 20.745 14.611 -4.837 93 HG2 PRO 12 1HG PRO 12 20.134 12.700 -6.564 94 HG3 PRO 12 2HG PRO 12 20.550 14.336 -7.109 95 HD2 PRO 12 1HD PRO 12 22.204 11.848 -7.211 96 HD3 PRO 12 2HD PRO 12 22.139 13.209 -8.351 97 H THR 13 H THR 13 24.124 12.056 -4.848 98 HA THR 13 HA THR 13 25.714 12.987 -2.704 99 HB THR 13 HB THR 13 23.654 13.152 -1.438 100 HG1 THR 13 HG1 THR 13 24.560 12.222 0.204 101 HG21 THR 13 1HG2 THR 13 22.213 11.199 -1.089 102 HG22 THR 13 2HG2 THR 13 23.248 10.231 -2.139 103 HG23 THR 13 3HG2 THR 13 22.321 11.572 -2.809 104 H SER 14 H SER 14 24.248 10.240 -4.365 105 HA SER 14 HA SER 14 25.429 8.189 -2.841 106 HB2 SER 14 1HB SER 14 23.589 7.850 -4.477 107 HB3 SER 14 2HB SER 14 24.734 8.129 -5.785 108 HG SER 14 HG SER 14 25.936 6.345 -4.974 109 H ILE 15 H ILE 15 26.666 10.037 -5.612 110 HA ILE 15 HA ILE 15 28.956 8.453 -6.108 111 HB ILE 15 HB ILE 15 28.662 11.454 -6.427 112 HG12 ILE 15 1HG1 ILE 15 28.193 9.228 -8.434 113 HG13 ILE 15 2HG1 ILE 15 26.905 10.077 -7.579 114 HG21 ILE 15 1HG2 ILE 15 30.448 11.248 -8.066 115 HG22 ILE 15 2HG2 ILE 15 30.491 9.497 -7.854 116 HG23 ILE 15 3HG2 ILE 15 31.006 10.557 -6.543 117 HD11 ILE 15 1HD1 ILE 15 27.022 11.315 -9.549 118 HD12 ILE 15 2HD1 ILE 15 28.766 11.104 -9.697 119 HD13 ILE 15 3HD1 ILE 15 28.112 12.229 -8.506 120 H LEU 16 H LEU 16 28.370 11.070 -3.777 121 HA LEU 16 HA LEU 16 30.991 11.306 -2.786 122 HB2 LEU 16 1HB LEU 16 29.125 12.849 -2.241 123 HB3 LEU 16 2HB LEU 16 28.402 11.588 -1.244 124 HG LEU 16 HG LEU 16 30.553 11.520 0.078 125 HD11 LEU 16 1HD1 LEU 16 31.137 13.777 -1.817 126 HD12 LEU 16 2HD1 LEU 16 32.200 12.481 -1.265 127 HD13 LEU 16 3HD1 LEU 16 31.809 13.820 -0.186 128 HD21 LEU 16 1HD2 LEU 16 28.494 12.789 0.773 129 HD22 LEU 16 2HD2 LEU 16 29.180 14.225 0.011 130 HD23 LEU 16 3HD2 LEU 16 29.992 13.486 1.392 131 H LEU 17 H LEU 17 28.408 9.014 -2.008 132 HA LEU 17 HA LEU 17 29.624 7.810 0.228 133 HB2 LEU 17 1HB LEU 17 27.259 7.477 -0.953 134 HB3 LEU 17 2HB LEU 17 28.091 6.130 -1.716 135 HG LEU 17 HG LEU 17 26.964 5.330 0.269 136 HD11 LEU 17 1HD1 LEU 17 29.821 5.543 1.176 137 HD12 LEU 17 2HD1 LEU 17 29.408 4.612 -0.263 138 HD13 LEU 17 3HD1 LEU 17 28.716 4.175 1.299 139 HD21 LEU 17 1HD2 LEU 17 27.051 7.700 1.329 140 HD22 LEU 17 2HD2 LEU 17 28.599 7.176 1.992 141 HD23 LEU 17 3HD2 LEU 17 27.124 6.299 2.398 142 H LEU 18 H LEU 18 30.015 7.188 -3.247 143 HA LEU 18 HA LEU 18 31.707 4.940 -3.006 144 HB2 LEU 18 1HB LEU 18 31.767 7.087 -5.140 145 HB3 LEU 18 2HB LEU 18 32.513 5.495 -5.259 146 HG LEU 18 HG LEU 18 29.544 6.017 -4.909 147 HD11 LEU 18 1HD1 LEU 18 30.070 6.612 -7.134 148 HD12 LEU 18 2HD1 LEU 18 29.586 4.921 -7.262 149 HD13 LEU 18 3HD1 LEU 18 31.296 5.351 -7.274 150 HD21 LEU 18 1HD2 LEU 18 30.012 3.901 -3.919 151 HD22 LEU 18 2HD2 LEU 18 31.208 3.501 -5.153 152 HD23 LEU 18 3HD2 LEU 18 29.492 3.523 -5.561 153 H LEU 19 H LEU 19 32.428 8.406 -2.911 154 HA LEU 19 HA LEU 19 35.236 8.174 -2.874 155 HB2 LEU 19 1HB LEU 19 33.504 10.261 -1.533 156 HB3 LEU 19 2HB LEU 19 35.238 10.402 -1.811 157 HG LEU 19 HG LEU 19 33.166 10.031 -3.998 158 HD11 LEU 19 1HD1 LEU 19 32.814 12.230 -3.257 159 HD12 LEU 19 2HD1 LEU 19 34.032 12.451 -4.510 160 HD13 LEU 19 3HD1 LEU 19 34.506 12.452 -2.812 161 HD21 LEU 19 1HD2 LEU 19 35.177 10.811 -5.399 162 HD22 LEU 19 2HD2 LEU 19 35.252 9.166 -4.770 163 HD23 LEU 19 3HD2 LEU 19 36.163 10.453 -3.981 164 H ALA 20 H ALA 20 32.873 7.882 -0.270 165 HA ALA 20 HA ALA 20 34.718 7.822 1.866 166 HB1 ALA 20 1HB ALA 20 32.826 6.285 2.893 167 HB2 ALA 20 2HB ALA 20 31.927 6.831 1.479 168 HB3 ALA 20 3HB ALA 20 32.553 8.007 2.634 169 H CYS 21 H CYS 21 33.448 5.233 -0.201 170 HA CYS 21 HA CYS 21 34.703 3.083 1.117 171 HB2 CYS 21 1HB CYS 21 34.018 3.408 -1.814 172 HB3 CYS 21 2HB CYS 21 34.463 1.884 -1.044 173 HG CYS 21 HG CYS 21 31.832 3.460 -0.458 174 H ILE 22 H ILE 22 35.851 5.222 -1.480 175 HA ILE 22 HA ILE 22 38.300 3.912 -1.948 176 HB ILE 22 HB ILE 22 37.685 6.871 -2.192 177 HG12 ILE 22 1HG1 ILE 22 37.598 4.693 -4.300 178 HG13 ILE 22 2HG1 ILE 22 36.170 5.258 -3.439 179 HG21 ILE 22 1HG2 ILE 22 39.854 5.122 -3.400 180 HG22 ILE 22 2HG2 ILE 22 40.089 6.455 -2.269 181 HG23 ILE 22 3HG2 ILE 22 39.516 6.778 -3.905 182 HD11 ILE 22 1HD1 ILE 22 36.128 7.269 -4.544 183 HD12 ILE 22 2HD1 ILE 22 36.936 6.315 -5.784 184 HD13 ILE 22 3HD1 ILE 22 37.881 7.347 -4.713 185 H PHE 23 H PHE 23 37.367 6.289 0.520 186 HA PHE 23 HA PHE 23 39.934 6.785 1.556 187 HB2 PHE 23 1HB PHE 23 37.871 8.009 2.199 188 HB3 PHE 23 2HB PHE 23 37.345 6.600 3.097 189 HD1 PHE 23 HD1 PHE 23 38.419 5.974 5.204 190 HD2 PHE 23 HD2 PHE 23 39.696 9.421 2.982 191 HE1 PHE 23 HE1 PHE 23 39.679 6.781 7.182 192 HE2 PHE 23 HE2 PHE 23 40.957 10.228 4.959 193 HZ PHE 23 HZ PHE 23 40.948 8.909 7.059 194 H LEU 24 H LEU 24 37.651 4.142 2.186 195 HA LEU 24 HA LEU 24 39.122 2.865 4.227 196 HB2 LEU 24 1HB LEU 24 37.438 1.558 2.076 197 HB3 LEU 24 2HB LEU 24 37.916 0.830 3.608 198 HG LEU 24 HG LEU 24 36.263 3.360 3.356 199 HD11 LEU 24 1HD1 LEU 24 34.348 2.028 3.912 200 HD12 LEU 24 2HD1 LEU 24 35.348 0.610 4.231 201 HD13 LEU 24 3HD1 LEU 24 35.156 1.201 2.580 202 HD21 LEU 24 1HD2 LEU 24 35.824 2.777 5.813 203 HD22 LEU 24 2HD2 LEU 24 37.442 3.373 5.437 204 HD23 LEU 24 3HD2 LEU 24 37.172 1.647 5.681 205 H ILE 25 H ILE 25 39.408 2.685 0.696 206 HA ILE 25 HA ILE 25 41.392 0.682 0.601 207 HB ILE 25 HB ILE 25 41.089 3.038 -1.280 208 HG12 ILE 25 1HG1 ILE 25 39.910 0.248 -1.464 209 HG13 ILE 25 2HG1 ILE 25 39.004 1.666 -0.935 210 HG21 ILE 25 1HG2 ILE 25 42.211 1.602 -2.893 211 HG22 ILE 25 2HG2 ILE 25 42.277 0.283 -1.724 212 HG23 ILE 25 3HG2 ILE 25 43.226 1.747 -1.458 213 HD11 ILE 25 1HD1 ILE 25 38.498 1.596 -3.217 214 HD12 ILE 25 2HD1 ILE 25 40.114 1.043 -3.658 215 HD13 ILE 25 3HD1 ILE 25 39.857 2.720 -3.178 216 H LYS 26 H LYS 26 41.639 4.175 1.167 217 HA LYS 26 HA LYS 26 44.445 4.372 1.093 218 HB2 LYS 26 1HB LYS 26 42.881 6.312 1.240 219 HB3 LYS 26 2HB LYS 26 42.595 5.903 2.932 220 HG2 LYS 26 1HG LYS 26 45.032 6.119 3.373 221 HG3 LYS 26 2HG LYS 26 45.270 6.617 1.698 222 HD2 LYS 26 1HD LYS 26 43.665 8.506 2.092 223 HD3 LYS 26 2HD LYS 26 43.622 8.054 3.798 224 HE2 LYS 26 1HE LYS 26 45.945 8.535 4.083 225 HE3 LYS 26 2HE LYS 26 46.202 8.662 2.343 226 HZ1 LYS 26 1HZ LYS 26 44.225 10.431 3.579 227 HZ2 LYS 26 2HZ LYS 26 45.249 10.706 2.251 228 HZ3 LYS 26 3HZ LYS 26 45.866 10.779 3.832 229 H ILE 27 H ILE 27 42.269 3.299 3.677 230 HA ILE 27 HA ILE 27 44.199 3.086 5.724 231 HB ILE 27 HB ILE 27 41.809 1.280 5.257 232 HG12 ILE 27 1HG1 ILE 27 42.026 3.801 6.931 233 HG13 ILE 27 2HG1 ILE 27 41.303 3.750 5.323 234 HG21 ILE 27 1HG2 ILE 27 43.267 1.991 7.819 235 HG22 ILE 27 2HG2 ILE 27 43.500 0.483 6.934 236 HG23 ILE 27 3HG2 ILE 27 41.930 0.855 7.647 237 HD11 ILE 27 1HD1 ILE 27 39.817 1.854 6.262 238 HD12 ILE 27 2HD1 ILE 27 39.460 3.501 6.784 239 HD13 ILE 27 3HD1 ILE 27 40.343 2.410 7.851 240 H LEU 28 H LEU 28 43.301 0.829 3.131 241 HA LEU 28 HA LEU 28 45.065 -1.253 3.844 242 HB2 LEU 28 1HB LEU 28 44.299 -0.412 1.041 243 HB3 LEU 28 2HB LEU 28 44.947 -1.975 1.525 244 HG LEU 28 HG LEU 28 42.345 -0.807 2.554 245 HD11 LEU 28 1HD1 LEU 28 42.967 -2.820 0.383 246 HD12 LEU 28 2HD1 LEU 28 42.001 -1.350 0.254 247 HD13 LEU 28 3HD1 LEU 28 41.388 -2.732 1.164 248 HD21 LEU 28 1HD2 LEU 28 43.786 -3.439 2.946 249 HD22 LEU 28 2HD2 LEU 28 42.058 -3.265 3.250 250 HD23 LEU 28 3HD2 LEU 28 43.216 -2.317 4.182 251 H ALA 29 H ALA 29 45.649 1.769 2.131 252 HA ALA 29 HA ALA 29 48.286 1.258 1.289 253 HB1 ALA 29 1HB ALA 29 47.444 3.978 2.232 254 HB2 ALA 29 2HB ALA 29 46.696 3.273 0.799 255 HB3 ALA 29 3HB ALA 29 48.440 3.537 0.844 256 H ALA 30 H ALA 30 47.022 2.474 4.370 257 HA ALA 30 HA ALA 30 49.493 3.066 5.585 258 HB1 ALA 30 1HB ALA 30 48.128 2.364 7.737 259 HB2 ALA 30 2HB ALA 30 46.774 2.354 6.606 260 HB3 ALA 30 3HB ALA 30 47.712 3.827 6.845 261 H SER 31 H SER 31 47.668 0.027 5.382 262 HA SER 31 HA SER 31 49.434 -1.590 6.860 263 HB2 SER 31 1HB SER 31 47.859 -2.385 4.401 264 HB3 SER 31 2HB SER 31 48.498 -3.469 5.631 265 HG SER 31 HG SER 31 46.733 -1.326 6.208 266 H ALA 32 H ALA 32 49.596 -0.431 3.518 267 HA ALA 32 HA ALA 32 51.707 -2.091 2.639 268 HB1 ALA 32 1HB ALA 32 51.435 0.757 1.727 269 HB2 ALA 32 2HB ALA 32 50.198 -0.429 1.309 270 HB3 ALA 32 3HB ALA 32 51.867 -0.674 0.792 271 H LEU 33 H LEU 33 51.713 1.065 4.287 272 HA LEU 33 HA LEU 33 54.495 1.481 4.280 273 HB2 LEU 33 1HB LEU 33 52.502 2.250 6.425 274 HB3 LEU 33 2HB LEU 33 54.108 2.943 6.209 275 HG LEU 33 HG LEU 33 51.907 3.032 4.126 276 HD11 LEU 33 1HD1 LEU 33 51.191 4.475 5.862 277 HD12 LEU 33 2HD1 LEU 33 52.036 5.539 4.739 278 HD13 LEU 33 3HD1 LEU 33 52.837 5.003 6.215 279 HD21 LEU 33 1HD2 LEU 33 54.707 4.159 4.303 280 HD22 LEU 33 2HD2 LEU 33 53.497 4.844 3.218 281 HD23 LEU 33 3HD2 LEU 33 54.010 3.169 3.020 282 H TRP 34 H TRP 34 52.436 -0.423 6.461 283 HA TRP 34 HA TRP 34 54.430 -1.205 8.292 284 HB2 TRP 34 1HB TRP 34 51.913 -1.671 8.355 285 HB3 TRP 34 2HB TRP 34 52.256 -3.035 7.307 286 HD1 TRP 34 HD1 TRP 34 52.808 -5.216 8.479 287 HE1 TRP 34 HE1 TRP 34 53.489 -5.901 10.868 288 HE3 TRP 34 HE3 TRP 34 53.363 -0.602 10.593 289 HZ2 TRP 34 HZ2 TRP 34 54.181 -4.654 13.353 290 HZ3 TRP 34 HZ3 TRP 34 54.032 -0.378 12.965 291 HH2 TRP 34 HH2 TRP 34 54.441 -2.393 14.348 292 H ALA 35 H ALA 35 53.661 -2.424 5.063 293 HA ALA 35 HA ALA 35 55.456 -4.594 5.017 294 HB1 ALA 35 1HB ALA 35 53.684 -3.759 3.258 295 HB2 ALA 35 2HB ALA 35 55.107 -4.656 2.730 296 HB3 ALA 35 3HB ALA 35 55.066 -2.899 2.581 297 H ALA 36 H ALA 36 55.966 -1.146 4.417 298 HA ALA 36 HA ALA 36 58.622 -1.285 3.506 299 HB1 ALA 36 1HB ALA 36 57.701 0.940 5.298 300 HB2 ALA 36 2HB ALA 36 56.995 0.749 3.694 301 HB3 ALA 36 3HB ALA 36 58.730 1.016 3.868 302 H ALA 37 H ALA 37 57.302 -1.175 6.796 303 HA ALA 37 HA ALA 37 59.768 -1.114 8.172 304 HB1 ALA 37 1HB ALA 37 57.064 -2.213 8.942 305 HB2 ALA 37 2HB ALA 37 57.774 -0.665 9.399 306 HB3 ALA 37 3HB ALA 37 58.435 -2.164 10.051 307 H TRP 38 H TRP 38 57.826 -3.829 6.988 308 HA TRP 38 HA TRP 38 59.313 -5.929 8.058 309 HB2 TRP 38 1HB TRP 38 57.623 -5.686 5.602 310 HB3 TRP 38 2HB TRP 38 58.516 -7.159 5.912 311 HD1 TRP 38 HD1 TRP 38 55.403 -5.326 6.821 312 HE1 TRP 38 HE1 TRP 38 54.076 -6.674 8.571 313 HE3 TRP 38 HE3 TRP 38 58.908 -8.813 8.097 314 HZ2 TRP 38 HZ2 TRP 38 54.450 -8.931 10.293 315 HZ3 TRP 38 HZ3 TRP 38 58.400 -10.546 9.790 316 HH2 TRP 38 HH2 TRP 38 56.179 -10.611 10.889 317 H HIS 39 H HIS 39 60.013 -3.968 5.195 318 HA HIS 39 HA HIS 39 62.339 -5.531 4.506 319 HB2 HIS 39 1HB HIS 39 61.172 -4.080 2.869 320 HB3 HIS 39 2HB HIS 39 61.638 -2.672 3.805 321 HD1 HIS 39 HD1 HIS 39 64.058 -1.837 3.573 322 HD2 HIS 39 HD2 HIS 39 63.301 -5.307 1.392 323 HE1 HIS 39 HE1 HIS 39 66.051 -2.174 2.049 324 H GLY 40 H GLY 40 62.140 -2.141 5.625 325 HA2 GLY 40 1HA GLY 40 63.787 -2.904 7.930 326 HA3 GLY 40 2HA GLY 40 64.314 -1.535 6.952 327 H GLN 41 H GLN 41 62.437 -2.400 9.618 328 HA GLN 41 HA GLN 41 60.691 -0.297 9.872 329 HB2 GLN 41 1HB GLN 41 61.078 -0.423 12.281 330 HB3 GLN 41 2HB GLN 41 61.054 -2.038 11.583 331 HG2 GLN 41 1HG GLN 41 63.531 -2.039 11.513 332 HG3 GLN 41 2HG GLN 41 63.542 -0.445 12.264 333 HE21 GLN 41 1HE2 GLN 41 63.249 -0.331 14.541 334 HE22 GLN 41 2HE2 GLN 41 63.004 -1.698 15.518 335 H LYS 42 H LYS 42 60.822 1.883 10.450 336 HA LYS 42 HA LYS 42 62.902 3.344 9.317 337 HB2 LYS 42 1HB LYS 42 60.500 4.034 9.898 338 HB3 LYS 42 2HB LYS 42 61.159 4.473 11.475 339 HG2 LYS 42 1HG LYS 42 62.510 6.155 10.598 340 HG3 LYS 42 2HG LYS 42 62.552 5.426 8.992 341 HD2 LYS 42 1HD LYS 42 60.327 6.126 8.504 342 HD3 LYS 42 2HD LYS 42 60.008 6.538 10.190 343 HE2 LYS 42 1HE LYS 42 61.833 8.281 10.012 344 HE3 LYS 42 2HE LYS 42 61.875 7.962 8.278 345 HZ1 LYS 42 1HZ LYS 42 60.286 9.510 8.186 346 HZ2 LYS 42 2HZ LYS 42 59.922 9.394 9.842 347 HZ3 LYS 42 3HZ LYS 42 59.246 8.291 8.741 348 HA PRO 43 HA PRO 43 64.750 4.063 13.809 349 HB2 PRO 43 1HB PRO 43 64.627 1.190 14.628 350 HB3 PRO 43 2HB PRO 43 64.569 2.657 15.630 351 HG2 PRO 43 1HG PRO 43 62.366 1.292 15.144 352 HG3 PRO 43 2HG PRO 43 62.350 3.066 15.139 353 HD2 PRO 43 1HD PRO 43 62.301 1.186 12.810 354 HD3 PRO 43 2HD PRO 43 61.471 2.743 13.017 355 H GLY 44 H GLY 44 65.054 1.339 11.656 356 HA2 GLY 44 1HA GLY 44 67.663 0.503 12.133 357 HA3 GLY 44 2HA GLY 44 66.853 0.407 10.577 358 H THR 45 H THR 45 66.567 3.431 10.547 359 HA THR 45 HA THR 45 68.793 4.033 8.969 360 HB THR 45 HB THR 45 67.106 6.004 10.528 361 HG1 THR 45 HG1 THR 45 65.794 5.961 8.696 362 HG21 THR 45 1HG2 THR 45 67.706 7.542 8.723 363 HG22 THR 45 2HG2 THR 45 68.632 6.272 7.921 364 HG23 THR 45 3HG2 THR 45 69.170 6.909 9.476 365 H HIS 46 H HIS 46 70.714 5.109 9.340 366 HA HIS 46 HA HIS 46 71.791 4.831 12.012 367 HB2 HIS 46 1HB HIS 46 72.969 4.398 9.740 368 HB3 HIS 46 2HB HIS 46 73.202 6.136 9.708 369 HD1 HIS 46 HD1 HIS 46 74.925 7.136 11.345 370 HD2 HIS 46 HD2 HIS 46 74.487 3.007 11.722 371 HE1 HIS 46 HE1 HIS 46 76.836 6.344 12.803 Start of MODEL 5 1 H ARG 1 3H ARG 1 3.270 9.672 12.191 2 HA ARG 1 HA ARG 1 5.449 11.504 11.429 3 HB2 ARG 1 1HB ARG 1 5.122 8.489 11.483 4 HB3 ARG 1 2HB ARG 1 6.591 9.342 11.005 5 HG2 ARG 1 1HG ARG 1 6.660 10.416 13.252 6 HG3 ARG 1 2HG ARG 1 5.257 9.457 13.726 7 HD2 ARG 1 1HD ARG 1 6.579 7.389 13.144 8 HD3 ARG 1 2HD ARG 1 7.988 8.424 12.923 9 HE ARG 1 HE ARG 1 7.078 9.075 15.419 10 HH11 ARG 1 1HH1 ARG 1 7.992 6.039 13.912 11 HH12 ARG 1 2HH1 ARG 1 8.497 5.332 15.411 12 HH21 ARG 1 1HH2 ARG 1 7.742 8.111 17.317 13 HH22 ARG 1 2HH2 ARG 1 8.356 6.492 17.315 14 H SER 2 H SER 2 4.570 12.534 9.625 15 HA SER 2 HA SER 2 3.017 11.365 7.616 16 HB2 SER 2 1HB SER 2 3.490 13.833 7.949 17 HB3 SER 2 2HB SER 2 5.049 13.559 7.180 18 HG SER 2 HG SER 2 2.462 13.476 6.125 19 H LEU 3 H LEU 3 3.489 10.415 5.650 20 HA LEU 3 HA LEU 3 5.651 8.649 5.531 21 HB2 LEU 3 1HB LEU 3 4.000 9.722 3.233 22 HB3 LEU 3 2HB LEU 3 4.982 8.259 3.206 23 HG LEU 3 HG LEU 3 2.660 8.739 5.098 24 HD11 LEU 3 1HD1 LEU 3 2.893 7.182 2.510 25 HD12 LEU 3 2HD1 LEU 3 1.770 8.492 2.879 26 HD13 LEU 3 3HD1 LEU 3 1.590 6.927 3.672 27 HD21 LEU 3 1HD2 LEU 3 4.092 7.186 6.147 28 HD22 LEU 3 2HD2 LEU 3 4.574 6.458 4.615 29 HD23 LEU 3 3HD2 LEU 3 2.964 6.155 5.267 30 H LEU 4 H LEU 4 5.516 12.004 4.579 31 HA LEU 4 HA LEU 4 7.509 12.049 2.600 32 HB2 LEU 4 1HB LEU 4 6.573 14.110 4.585 33 HB3 LEU 4 2HB LEU 4 7.840 14.452 3.407 34 HG LEU 4 HG LEU 4 6.139 13.483 1.673 35 HD11 LEU 4 1HD1 LEU 4 3.768 14.130 2.451 36 HD12 LEU 4 2HD1 LEU 4 4.423 14.073 4.087 37 HD13 LEU 4 3HD1 LEU 4 4.435 12.624 3.081 38 HD21 LEU 4 1HD2 LEU 4 5.616 16.159 3.006 39 HD22 LEU 4 2HD2 LEU 4 5.207 15.723 1.347 40 HD23 LEU 4 3HD2 LEU 4 6.898 15.855 1.832 41 H GLU 5 H GLU 5 7.787 11.728 6.063 42 HA GLU 5 HA GLU 5 10.613 12.427 6.081 43 HB2 GLU 5 1HB GLU 5 8.787 11.397 8.257 44 HB3 GLU 5 2HB GLU 5 10.466 11.886 8.498 45 HG2 GLU 5 1HG GLU 5 9.906 14.139 7.603 46 HG3 GLU 5 2HG GLU 5 8.225 13.646 7.465 47 H GLY 6 H GLY 6 8.781 9.540 5.630 48 HA2 GLY 6 1HA GLY 6 10.955 7.806 6.531 49 HA3 GLY 6 2HA GLY 6 9.358 7.290 6.018 50 H GLU 7 H GLU 7 10.730 9.502 3.783 51 HA GLU 7 HA GLU 7 10.965 7.320 1.866 52 HB2 GLU 7 1HB GLU 7 11.140 10.321 1.511 53 HB3 GLU 7 2HB GLU 7 11.160 9.141 0.200 54 HG2 GLU 7 1HG GLU 7 8.944 8.303 0.961 55 HG3 GLU 7 2HG GLU 7 8.917 9.554 2.194 56 H ILE 8 H ILE 8 12.769 6.943 0.577 57 HA ILE 8 HA ILE 8 15.258 7.247 1.967 58 HB ILE 8 HB ILE 8 14.669 5.145 0.860 59 HG12 ILE 8 1HG1 ILE 8 17.037 6.466 -0.497 60 HG13 ILE 8 2HG1 ILE 8 17.064 5.833 1.148 61 HG21 ILE 8 1HG2 ILE 8 14.687 4.998 -1.603 62 HG22 ILE 8 2HG2 ILE 8 14.908 6.744 -1.705 63 HG23 ILE 8 3HG2 ILE 8 13.414 6.081 -1.043 64 HD11 ILE 8 1HD1 ILE 8 16.623 4.281 -1.412 65 HD12 ILE 8 2HD1 ILE 8 16.322 3.604 0.189 66 HD13 ILE 8 3HD1 ILE 8 17.951 4.107 -0.265 67 HA PRO 9 HA PRO 9 16.608 10.844 -0.422 68 HB2 PRO 9 1HB PRO 9 19.407 9.963 -0.077 69 HB3 PRO 9 2HB PRO 9 18.610 11.438 0.497 70 HG2 PRO 9 1HG PRO 9 19.361 9.454 2.140 71 HG3 PRO 9 2HG PRO 9 17.953 10.486 2.452 72 HD2 PRO 9 1HD PRO 9 18.031 7.674 1.424 73 HD3 PRO 9 2HD PRO 9 16.865 8.451 2.521 74 H PHE 10 H PHE 10 17.440 11.291 -2.531 75 HA PHE 10 HA PHE 10 16.836 9.313 -4.371 76 HB2 PHE 10 1HB PHE 10 18.558 11.756 -4.780 77 HB3 PHE 10 2HB PHE 10 17.834 10.803 -6.062 78 HD1 PHE 10 HD1 PHE 10 15.167 10.419 -5.678 79 HD2 PHE 10 HD2 PHE 10 17.488 13.713 -4.191 80 HE1 PHE 10 HE1 PHE 10 13.110 11.795 -5.517 81 HE2 PHE 10 HE2 PHE 10 15.430 15.089 -4.029 82 HZ PHE 10 HZ PHE 10 13.242 14.130 -4.693 83 HA PRO 11 HA PRO 11 20.345 6.663 -4.464 84 HB2 PRO 11 1HB PRO 11 20.245 6.553 -7.422 85 HB3 PRO 11 2HB PRO 11 20.126 5.253 -6.224 86 HG2 PRO 11 1HG PRO 11 18.013 6.134 -7.595 87 HG3 PRO 11 2HG PRO 11 17.887 5.547 -5.927 88 HD2 PRO 11 1HD PRO 11 17.815 8.355 -6.941 89 HD3 PRO 11 2HD PRO 11 16.969 7.618 -5.563 90 HA PRO 12 HA PRO 12 23.410 9.021 -7.492 91 HB2 PRO 12 1HB PRO 12 22.518 11.799 -6.883 92 HB3 PRO 12 2HB PRO 12 23.174 11.122 -8.387 93 HG2 PRO 12 1HG PRO 12 20.592 11.662 -8.140 94 HG3 PRO 12 2HG PRO 12 21.156 10.235 -9.031 95 HD2 PRO 12 1HD PRO 12 19.927 10.384 -6.309 96 HD3 PRO 12 2HD PRO 12 19.775 9.121 -7.550 97 H THR 13 H THR 13 22.180 10.277 -4.421 98 HA THR 13 HA THR 13 24.524 11.481 -3.459 99 HB THR 13 HB THR 13 22.471 9.984 -1.821 100 HG1 THR 13 HG1 THR 13 21.544 12.131 -1.718 101 HG21 THR 13 1HG2 THR 13 24.543 10.666 -0.632 102 HG22 THR 13 2HG2 THR 13 23.132 11.559 -0.065 103 HG23 THR 13 3HG2 THR 13 24.279 12.327 -1.162 104 H SER 14 H SER 14 23.651 8.086 -3.668 105 HA SER 14 HA SER 14 25.439 7.033 -1.778 106 HB2 SER 14 1HB SER 14 25.192 4.930 -2.952 107 HB3 SER 14 2HB SER 14 23.634 5.748 -2.923 108 HG SER 14 HG SER 14 25.456 5.386 -5.036 109 H ILE 15 H ILE 15 25.975 8.169 -5.087 110 HA ILE 15 HA ILE 15 28.490 6.962 -5.518 111 HB ILE 15 HB ILE 15 27.530 9.662 -6.506 112 HG12 ILE 15 1HG1 ILE 15 27.353 6.942 -7.837 113 HG13 ILE 15 2HG1 ILE 15 26.004 7.720 -7.008 114 HG21 ILE 15 1HG2 ILE 15 29.129 9.291 -8.332 115 HG22 ILE 15 2HG2 ILE 15 29.607 7.749 -7.620 116 HG23 ILE 15 3HG2 ILE 15 29.969 9.258 -6.780 117 HD11 ILE 15 1HD1 ILE 15 27.413 8.589 -9.526 118 HD12 ILE 15 2HD1 ILE 15 26.498 9.743 -8.556 119 HD13 ILE 15 3HD1 ILE 15 25.687 8.343 -9.257 120 H LEU 16 H LEU 16 27.576 9.947 -3.797 121 HA LEU 16 HA LEU 16 30.196 10.861 -3.263 122 HB2 LEU 16 1HB LEU 16 27.731 11.103 -1.520 123 HB3 LEU 16 2HB LEU 16 29.195 12.075 -1.382 124 HG LEU 16 HG LEU 16 27.436 11.955 -3.849 125 HD11 LEU 16 1HD1 LEU 16 26.378 13.057 -1.854 126 HD12 LEU 16 2HD1 LEU 16 26.657 14.161 -3.201 127 HD13 LEU 16 3HD1 LEU 16 27.739 14.177 -1.808 128 HD21 LEU 16 1HD2 LEU 16 28.819 14.094 -4.324 129 HD22 LEU 16 2HD2 LEU 16 29.625 12.541 -4.548 130 HD23 LEU 16 3HD2 LEU 16 29.925 13.489 -3.091 131 H LEU 17 H LEU 17 28.142 8.490 -1.592 132 HA LEU 17 HA LEU 17 29.885 7.969 0.559 133 HB2 LEU 17 1HB LEU 17 27.548 7.077 0.340 134 HB3 LEU 17 2HB LEU 17 28.165 5.904 -0.823 135 HG LEU 17 HG LEU 17 29.853 5.204 0.940 136 HD11 LEU 17 1HD1 LEU 17 29.907 6.945 2.503 137 HD12 LEU 17 2HD1 LEU 17 28.884 5.759 3.315 138 HD13 LEU 17 3HD1 LEU 17 28.153 7.138 2.494 139 HD21 LEU 17 1HD2 LEU 17 26.892 4.873 1.524 140 HD22 LEU 17 2HD2 LEU 17 28.170 3.863 2.202 141 HD23 LEU 17 3HD2 LEU 17 27.867 3.853 0.465 142 H LEU 18 H LEU 18 29.914 6.783 -2.770 143 HA LEU 18 HA LEU 18 31.900 4.811 -2.467 144 HB2 LEU 18 1HB LEU 18 30.514 5.196 -4.530 145 HB3 LEU 18 2HB LEU 18 31.538 6.587 -4.887 146 HG LEU 18 HG LEU 18 33.515 4.918 -4.613 147 HD11 LEU 18 1HD1 LEU 18 33.071 2.630 -4.809 148 HD12 LEU 18 2HD1 LEU 18 31.458 2.900 -5.471 149 HD13 LEU 18 3HD1 LEU 18 31.761 3.160 -3.754 150 HD21 LEU 18 1HD2 LEU 18 31.583 4.800 -6.950 151 HD22 LEU 18 2HD2 LEU 18 33.244 4.210 -7.001 152 HD23 LEU 18 3HD2 LEU 18 32.925 5.927 -6.752 153 H LEU 19 H LEU 19 32.165 8.321 -2.938 154 HA LEU 19 HA LEU 19 34.974 8.462 -3.132 155 HB2 LEU 19 1HB LEU 19 33.128 10.434 -1.765 156 HB3 LEU 19 2HB LEU 19 34.765 10.760 -2.326 157 HG LEU 19 HG LEU 19 32.489 9.871 -4.121 158 HD11 LEU 19 1HD1 LEU 19 33.734 12.609 -3.720 159 HD12 LEU 19 2HD1 LEU 19 32.109 12.136 -3.223 160 HD13 LEU 19 3HD1 LEU 19 32.522 12.205 -4.936 161 HD21 LEU 19 1HD2 LEU 19 34.203 10.836 -5.838 162 HD22 LEU 19 2HD2 LEU 19 34.498 9.229 -5.175 163 HD23 LEU 19 3HD2 LEU 19 35.379 10.620 -4.543 164 H ALA 20 H ALA 20 32.863 8.189 -0.305 165 HA ALA 20 HA ALA 20 34.845 8.416 1.686 166 HB1 ALA 20 1HB ALA 20 32.558 6.486 1.944 167 HB2 ALA 20 2HB ALA 20 32.258 8.223 1.905 168 HB3 ALA 20 3HB ALA 20 33.273 7.531 3.171 169 H CYS 21 H CYS 21 33.767 5.627 -0.214 170 HA CYS 21 HA CYS 21 35.330 3.667 1.065 171 HB2 CYS 21 1HB CYS 21 34.592 3.798 -1.869 172 HB3 CYS 21 2HB CYS 21 35.073 2.358 -0.973 173 HG CYS 21 HG CYS 21 32.288 3.425 -1.063 174 H ILE 22 H ILE 22 36.127 5.956 -1.531 175 HA ILE 22 HA ILE 22 38.678 4.941 -2.156 176 HB ILE 22 HB ILE 22 37.770 7.833 -2.175 177 HG12 ILE 22 1HG1 ILE 22 37.754 5.781 -4.409 178 HG13 ILE 22 2HG1 ILE 22 36.327 6.222 -3.470 179 HG21 ILE 22 1HG2 ILE 22 40.229 7.528 -2.372 180 HG22 ILE 22 2HG2 ILE 22 39.521 8.121 -3.874 181 HG23 ILE 22 3HG2 ILE 22 39.970 6.422 -3.721 182 HD11 ILE 22 1HD1 ILE 22 36.880 8.658 -4.133 183 HD12 ILE 22 2HD1 ILE 22 36.202 7.610 -5.379 184 HD13 ILE 22 3HD1 ILE 22 37.934 7.944 -5.355 185 H PHE 23 H PHE 23 37.615 7.136 0.436 186 HA PHE 23 HA PHE 23 40.167 7.746 1.466 187 HB2 PHE 23 1HB PHE 23 38.042 8.813 2.196 188 HB3 PHE 23 2HB PHE 23 37.626 7.335 3.042 189 HD1 PHE 23 HD1 PHE 23 39.916 10.234 2.956 190 HD2 PHE 23 HD2 PHE 23 38.663 6.757 5.145 191 HE1 PHE 23 HE1 PHE 23 41.169 11.032 4.941 192 HE2 PHE 23 HE2 PHE 23 39.917 7.555 7.131 193 HZ PHE 23 HZ PHE 23 41.170 9.693 7.028 194 H LEU 24 H LEU 24 38.053 4.949 2.012 195 HA LEU 24 HA LEU 24 39.644 3.675 3.961 196 HB2 LEU 24 1HB LEU 24 38.010 2.306 1.813 197 HB3 LEU 24 2HB LEU 24 38.547 1.604 3.334 198 HG LEU 24 HG LEU 24 36.716 4.011 3.108 199 HD11 LEU 24 1HD1 LEU 24 35.598 1.972 2.330 200 HD12 LEU 24 2HD1 LEU 24 34.973 2.428 3.915 201 HD13 LEU 24 3HD1 LEU 24 36.132 1.107 3.771 202 HD21 LEU 24 1HD2 LEU 24 37.869 2.419 5.399 203 HD22 LEU 24 2HD2 LEU 24 36.344 3.287 5.583 204 HD23 LEU 24 3HD2 LEU 24 37.819 4.169 5.191 205 H ILE 25 H ILE 25 39.916 3.740 0.433 206 HA ILE 25 HA ILE 25 41.943 1.799 0.173 207 HB ILE 25 HB ILE 25 41.691 4.319 -1.480 208 HG12 ILE 25 1HG1 ILE 25 39.520 3.170 -1.402 209 HG13 ILE 25 2HG1 ILE 25 40.261 2.970 -2.985 210 HG21 ILE 25 1HG2 ILE 25 42.661 2.833 -3.242 211 HG22 ILE 25 2HG2 ILE 25 42.881 1.588 -2.013 212 HG23 ILE 25 3HG2 ILE 25 43.751 3.117 -1.884 213 HD11 ILE 25 1HD1 ILE 25 41.066 0.717 -2.301 214 HD12 ILE 25 2HD1 ILE 25 39.311 0.843 -2.218 215 HD13 ILE 25 3HD1 ILE 25 40.270 0.926 -0.742 216 H LYS 26 H LYS 26 42.116 5.239 1.025 217 HA LYS 26 HA LYS 26 44.922 5.487 1.035 218 HB2 LYS 26 1HB LYS 26 43.321 7.379 1.328 219 HB3 LYS 26 2HB LYS 26 42.995 6.801 2.962 220 HG2 LYS 26 1HG LYS 26 45.416 7.018 3.493 221 HG3 LYS 26 2HG LYS 26 45.686 7.689 1.884 222 HD2 LYS 26 1HD LYS 26 44.025 9.492 2.420 223 HD3 LYS 26 2HD LYS 26 43.945 8.868 4.068 224 HE2 LYS 26 1HE LYS 26 46.620 9.520 2.872 225 HE3 LYS 26 2HE LYS 26 45.611 10.822 3.501 226 HZ1 LYS 26 1HZ LYS 26 47.272 9.269 4.973 227 HZ2 LYS 26 2HZ LYS 26 45.758 8.551 5.249 228 HZ3 LYS 26 3HZ LYS 26 45.993 10.198 5.589 229 H ILE 27 H ILE 27 42.700 4.204 3.487 230 HA ILE 27 HA ILE 27 44.623 3.739 5.501 231 HB ILE 27 HB ILE 27 42.239 1.982 4.897 232 HG12 ILE 27 1HG1 ILE 27 41.500 4.308 5.070 233 HG13 ILE 27 2HG1 ILE 27 41.027 3.424 6.513 234 HG21 ILE 27 1HG2 ILE 27 42.344 1.669 7.405 235 HG22 ILE 27 2HG2 ILE 27 43.910 2.480 7.365 236 HG23 ILE 27 3HG2 ILE 27 43.685 0.957 6.506 237 HD11 ILE 27 1HD1 ILE 27 43.552 4.449 7.164 238 HD12 ILE 27 2HD1 ILE 27 41.997 5.091 7.687 239 HD13 ILE 27 3HD1 ILE 27 42.779 5.743 6.249 240 H LEU 28 H LEU 28 43.731 1.823 2.661 241 HA LEU 28 HA LEU 28 45.301 -0.444 3.214 242 HB2 LEU 28 1HB LEU 28 43.637 -0.236 1.343 243 HB3 LEU 28 2HB LEU 28 44.831 0.722 0.467 244 HG LEU 28 HG LEU 28 46.453 -1.210 0.798 245 HD11 LEU 28 1HD1 LEU 28 43.890 -2.418 1.826 246 HD12 LEU 28 2HD1 LEU 28 45.505 -2.490 2.532 247 HD13 LEU 28 3HD1 LEU 28 45.129 -3.432 1.088 248 HD21 LEU 28 1HD2 LEU 28 45.238 -2.627 -0.975 249 HD22 LEU 28 2HD2 LEU 28 45.519 -0.933 -1.376 250 HD23 LEU 28 3HD2 LEU 28 43.924 -1.460 -0.841 251 H ALA 29 H ALA 29 46.185 2.682 1.837 252 HA ALA 29 HA ALA 29 48.826 2.049 1.082 253 HB1 ALA 29 1HB ALA 29 49.245 4.413 1.103 254 HB2 ALA 29 2HB ALA 29 47.889 4.699 2.192 255 HB3 ALA 29 3HB ALA 29 47.594 4.173 0.535 256 H ALA 30 H ALA 30 47.482 3.127 4.183 257 HA ALA 30 HA ALA 30 49.910 3.318 5.598 258 HB1 ALA 30 1HB ALA 30 47.848 4.147 6.566 259 HB2 ALA 30 2HB ALA 30 48.516 2.908 7.629 260 HB3 ALA 30 3HB ALA 30 47.156 2.526 6.572 261 H SER 31 H SER 31 47.796 0.540 4.977 262 HA SER 31 HA SER 31 49.213 -1.382 6.462 263 HB2 SER 31 1HB SER 31 47.778 -1.810 3.832 264 HB3 SER 31 2HB SER 31 48.157 -3.036 5.036 265 HG SER 31 HG SER 31 45.986 -2.146 5.141 266 H ALA 32 H ALA 32 49.814 -0.029 3.244 267 HA ALA 32 HA ALA 32 51.750 -1.908 2.405 268 HB1 ALA 32 1HB ALA 32 50.596 0.045 1.101 269 HB2 ALA 32 2HB ALA 32 52.246 -0.419 0.682 270 HB3 ALA 32 3HB ALA 32 51.957 0.999 1.690 271 H LEU 33 H LEU 33 52.040 1.120 4.254 272 HA LEU 33 HA LEU 33 54.846 1.137 4.486 273 HB2 LEU 33 1HB LEU 33 53.348 3.013 5.155 274 HB3 LEU 33 2HB LEU 33 52.842 2.068 6.554 275 HG LEU 33 HG LEU 33 55.306 1.918 7.191 276 HD11 LEU 33 1HD1 LEU 33 56.468 2.476 5.223 277 HD12 LEU 33 2HD1 LEU 33 56.593 3.947 6.188 278 HD13 LEU 33 3HD1 LEU 33 55.414 3.848 4.879 279 HD21 LEU 33 1HD2 LEU 33 53.899 3.411 8.429 280 HD22 LEU 33 2HD2 LEU 33 53.836 4.562 7.094 281 HD23 LEU 33 3HD2 LEU 33 55.335 4.339 7.996 282 H TRP 34 H TRP 34 52.366 -0.547 6.396 283 HA TRP 34 HA TRP 34 54.072 -1.640 8.353 284 HB2 TRP 34 1HB TRP 34 51.557 -1.752 8.307 285 HB3 TRP 34 2HB TRP 34 51.701 -3.032 7.117 286 HD1 TRP 34 HD1 TRP 34 51.833 -5.392 8.030 287 HE1 TRP 34 HE1 TRP 34 52.271 -6.450 10.338 288 HE3 TRP 34 HE3 TRP 34 53.046 -1.212 10.699 289 HZ2 TRP 34 HZ2 TRP 34 53.037 -5.631 12.974 290 HZ3 TRP 34 HZ3 TRP 34 53.625 -1.377 13.099 291 HH2 TRP 34 HH2 TRP 34 53.622 -3.576 14.241 292 H ALA 35 H ALA 35 53.412 -2.674 5.038 293 HA ALA 35 HA ALA 35 54.866 -5.087 5.081 294 HB1 ALA 35 1HB ALA 35 53.389 -3.958 3.209 295 HB2 ALA 35 2HB ALA 35 54.686 -5.074 2.779 296 HB3 ALA 35 3HB ALA 35 54.945 -3.333 2.662 297 H ALA 36 H ALA 36 55.919 -1.745 4.594 298 HA ALA 36 HA ALA 36 58.581 -2.273 3.861 299 HB1 ALA 36 1HB ALA 36 59.029 -0.006 4.349 300 HB2 ALA 36 2HB ALA 36 57.771 0.064 5.583 301 HB3 ALA 36 3HB ALA 36 57.330 -0.027 3.878 302 H ALA 37 H ALA 37 57.076 -1.960 7.057 303 HA ALA 37 HA ALA 37 59.437 -2.254 8.580 304 HB1 ALA 37 1HB ALA 37 56.766 -3.315 9.469 305 HB2 ALA 37 2HB ALA 37 57.071 -1.582 9.351 306 HB3 ALA 37 3HB ALA 37 58.041 -2.576 10.439 307 H TRP 38 H TRP 38 57.180 -4.657 7.286 308 HA TRP 38 HA TRP 38 58.266 -6.951 8.436 309 HB2 TRP 38 1HB TRP 38 56.741 -6.428 5.927 310 HB3 TRP 38 2HB TRP 38 57.424 -8.019 6.187 311 HD1 TRP 38 HD1 TRP 38 54.433 -6.025 6.866 312 HE1 TRP 38 HE1 TRP 38 52.932 -7.192 8.607 313 HE3 TRP 38 HE3 TRP 38 57.691 -9.539 8.630 314 HZ2 TRP 38 HZ2 TRP 38 53.092 -9.330 10.504 315 HZ3 TRP 38 HZ3 TRP 38 56.994 -11.124 10.399 316 HH2 TRP 38 HH2 TRP 38 54.703 -11.026 11.339 317 H HIS 39 H HIS 39 59.423 -5.134 5.629 318 HA HIS 39 HA HIS 39 61.524 -7.025 5.061 319 HB2 HIS 39 1HB HIS 39 60.713 -5.433 3.362 320 HB3 HIS 39 2HB HIS 39 61.264 -4.095 4.351 321 HD1 HIS 39 HD1 HIS 39 63.787 -3.570 4.343 322 HD2 HIS 39 HD2 HIS 39 62.780 -6.880 2.017 323 HE1 HIS 39 HE1 HIS 39 65.837 -4.129 2.969 324 H GLY 40 H GLY 40 61.728 -3.662 6.227 325 HA2 GLY 40 1HA GLY 40 63.173 -4.645 8.583 326 HA3 GLY 40 2HA GLY 40 63.905 -3.346 7.640 327 H GLN 41 H GLN 41 61.851 -3.977 10.231 328 HA GLN 41 HA GLN 41 60.294 -1.744 10.426 329 HB2 GLN 41 1HB GLN 41 60.589 -1.852 12.837 330 HB3 GLN 41 2HB GLN 41 60.493 -3.481 12.175 331 HG2 GLN 41 1HG GLN 41 63.041 -3.482 12.134 332 HG3 GLN 41 2HG GLN 41 62.970 -2.001 13.087 333 HE21 GLN 41 1HE2 GLN 41 63.664 -2.774 15.129 334 HE22 GLN 41 2HE2 GLN 41 62.875 -4.013 15.979 335 H LYS 42 H LYS 42 60.548 0.407 11.080 336 HA LYS 42 HA LYS 42 61.490 2.462 10.666 337 HB2 LYS 42 1HB LYS 42 63.479 1.092 12.471 338 HB3 LYS 42 2HB LYS 42 63.619 2.794 12.030 339 HG2 LYS 42 1HG LYS 42 61.543 3.341 13.051 340 HG3 LYS 42 2HG LYS 42 61.072 1.645 13.178 341 HD2 LYS 42 1HD LYS 42 62.534 1.232 14.955 342 HD3 LYS 42 2HD LYS 42 63.564 2.609 14.556 343 HE2 LYS 42 1HE LYS 42 61.628 4.116 15.170 344 HE3 LYS 42 2HE LYS 42 60.792 2.687 15.776 345 HZ1 LYS 42 1HZ LYS 42 62.259 2.437 17.491 346 HZ2 LYS 42 2HZ LYS 42 62.265 4.130 17.348 347 HZ3 LYS 42 3HZ LYS 42 63.532 3.215 16.683 348 HA PRO 43 HA PRO 43 64.339 0.505 7.382 349 HB2 PRO 43 1HB PRO 43 62.782 2.106 5.453 350 HB3 PRO 43 2HB PRO 43 63.174 0.379 5.437 351 HG2 PRO 43 1HG PRO 43 60.710 1.407 5.956 352 HG3 PRO 43 2HG PRO 43 61.270 -0.184 6.482 353 HD2 PRO 43 1HD PRO 43 60.846 2.265 8.078 354 HD3 PRO 43 2HD PRO 43 60.877 0.568 8.593 355 H GLY 44 H GLY 44 66.149 1.509 6.581 356 HA2 GLY 44 1HA GLY 44 66.874 4.109 7.330 357 HA3 GLY 44 2HA GLY 44 67.655 3.172 6.057 358 H THR 45 H THR 45 66.900 6.079 6.219 359 HA THR 45 HA THR 45 64.716 6.688 4.581 360 HB THR 45 HB THR 45 67.339 8.194 4.716 361 HG1 THR 45 HG1 THR 45 66.719 8.864 6.609 362 HG21 THR 45 1HG2 THR 45 65.866 10.139 4.238 363 HG22 THR 45 2HG2 THR 45 64.501 9.037 4.064 364 HG23 THR 45 3HG2 THR 45 65.850 8.956 2.931 365 H HIS 46 H HIS 46 64.458 6.968 2.381 366 HA HIS 46 HA HIS 46 65.959 5.252 0.683 367 HB2 HIS 46 1HB HIS 46 64.059 7.475 -0.076 368 HB3 HIS 46 2HB HIS 46 64.597 6.172 -1.119 369 HD1 HIS 46 HD1 HIS 46 63.910 3.667 -0.143 370 HD2 HIS 46 HD2 HIS 46 61.699 6.929 1.219 371 HE1 HIS 46 HE1 HIS 46 61.756 2.729 0.798 Start of MODEL 6 1 H ARG 1 3H ARG 1 4.201 20.672 9.039 2 HA ARG 1 HA ARG 1 3.659 19.054 10.438 3 HB2 ARG 1 1HB ARG 1 3.747 17.447 7.870 4 HB3 ARG 1 2HB ARG 1 2.955 16.915 9.354 5 HG2 ARG 1 1HG ARG 1 1.549 18.987 9.286 6 HG3 ARG 1 2HG ARG 1 2.265 19.376 7.723 7 HD2 ARG 1 1HD ARG 1 0.668 16.884 8.377 8 HD3 ARG 1 2HD ARG 1 0.107 18.249 7.418 9 HE ARG 1 HE ARG 1 2.525 16.936 6.455 10 HH11 ARG 1 1HH1 ARG 1 -0.969 17.162 6.195 11 HH12 ARG 1 2HH1 ARG 1 -0.996 16.441 4.620 12 HH21 ARG 1 1HH2 ARG 1 2.426 16.015 4.428 13 HH22 ARG 1 2HH2 ARG 1 0.902 15.801 3.633 14 H SER 2 H SER 2 4.260 16.910 11.413 15 HA SER 2 HA SER 2 6.992 16.775 11.991 16 HB2 SER 2 1HB SER 2 6.488 14.704 13.139 17 HB3 SER 2 2HB SER 2 5.173 15.843 13.404 18 HG SER 2 HG SER 2 4.369 13.805 12.808 19 H LEU 3 H LEU 3 5.227 15.336 9.341 20 HA LEU 3 HA LEU 3 6.865 13.163 8.717 21 HB2 LEU 3 1HB LEU 3 4.668 13.687 7.669 22 HB3 LEU 3 2HB LEU 3 5.449 14.979 6.759 23 HG LEU 3 HG LEU 3 7.042 13.254 5.834 24 HD11 LEU 3 1HD1 LEU 3 6.906 11.491 7.429 25 HD12 LEU 3 2HD1 LEU 3 6.105 10.867 5.986 26 HD13 LEU 3 3HD1 LEU 3 5.145 11.450 7.346 27 HD21 LEU 3 1HD2 LEU 3 5.084 14.032 4.553 28 HD22 LEU 3 2HD2 LEU 3 4.083 12.806 5.332 29 HD23 LEU 3 3HD2 LEU 3 5.387 12.321 4.249 30 H LEU 4 H LEU 4 7.487 16.578 8.285 31 HA LEU 4 HA LEU 4 9.320 16.502 6.162 32 HB2 LEU 4 1HB LEU 4 8.334 18.564 7.146 33 HB3 LEU 4 2HB LEU 4 9.373 18.350 8.556 34 HG LEU 4 HG LEU 4 11.354 18.363 6.984 35 HD11 LEU 4 1HD1 LEU 4 10.801 19.533 4.754 36 HD12 LEU 4 2HD1 LEU 4 9.132 19.045 5.054 37 HD13 LEU 4 3HD1 LEU 4 10.391 17.822 4.882 38 HD21 LEU 4 1HD2 LEU 4 11.163 20.870 6.548 39 HD22 LEU 4 2HD2 LEU 4 10.892 20.368 8.218 40 HD23 LEU 4 3HD2 LEU 4 9.520 20.765 7.184 41 H GLU 5 H GLU 5 9.713 15.603 9.521 42 HA GLU 5 HA GLU 5 12.620 15.563 9.355 43 HB2 GLU 5 1HB GLU 5 11.361 16.220 11.419 44 HB3 GLU 5 2HB GLU 5 10.834 14.545 11.568 45 HG2 GLU 5 1HG GLU 5 13.216 13.831 11.636 46 HG3 GLU 5 2HG GLU 5 13.705 15.518 11.563 47 H GLY 6 H GLY 6 10.044 13.318 8.780 48 HA2 GLY 6 1HA GLY 6 11.771 10.991 9.139 49 HA3 GLY 6 2HA GLY 6 10.055 10.965 8.777 50 H GLU 7 H GLU 7 11.701 13.116 6.683 51 HA GLU 7 HA GLU 7 11.208 11.261 4.489 52 HB2 GLU 7 1HB GLU 7 10.468 13.653 4.412 53 HB3 GLU 7 2HB GLU 7 12.166 14.129 4.386 54 HG2 GLU 7 1HG GLU 7 12.489 12.776 2.326 55 HG3 GLU 7 2HG GLU 7 10.776 12.378 2.338 56 H ILE 8 H ILE 8 12.733 10.604 3.011 57 HA ILE 8 HA ILE 8 15.352 10.265 4.097 58 HB ILE 8 HB ILE 8 15.825 8.713 2.408 59 HG12 ILE 8 1HG1 ILE 8 15.176 10.001 0.416 60 HG13 ILE 8 2HG1 ILE 8 14.526 8.368 0.368 61 HG21 ILE 8 1HG2 ILE 8 13.867 7.214 2.399 62 HG22 ILE 8 2HG2 ILE 8 12.870 8.537 3.004 63 HG23 ILE 8 3HG2 ILE 8 14.184 7.899 3.992 64 HD11 ILE 8 1HD1 ILE 8 12.340 9.263 1.196 65 HD12 ILE 8 2HD1 ILE 8 12.817 9.938 -0.360 66 HD13 ILE 8 3HD1 ILE 8 13.016 10.889 1.110 67 HA PRO 9 HA PRO 9 17.248 13.703 1.904 68 HB2 PRO 9 1HB PRO 9 19.803 12.233 1.796 69 HB3 PRO 9 2HB PRO 9 19.405 13.740 2.638 70 HG2 PRO 9 1HG PRO 9 19.871 11.417 3.913 71 HG3 PRO 9 2HG PRO 9 18.791 12.674 4.541 72 HD2 PRO 9 1HD PRO 9 18.089 10.083 3.217 73 HD3 PRO 9 2HD PRO 9 17.266 10.950 4.533 74 H PHE 10 H PHE 10 17.917 14.217 -0.246 75 HA PHE 10 HA PHE 10 16.719 12.621 -2.172 76 HB2 PHE 10 1HB PHE 10 18.884 14.680 -2.607 77 HB3 PHE 10 2HB PHE 10 17.775 14.081 -3.826 78 HD1 PHE 10 HD1 PHE 10 18.163 16.228 -0.869 79 HD2 PHE 10 HD2 PHE 10 15.428 14.774 -3.845 80 HE1 PHE 10 HE1 PHE 10 16.544 18.002 -0.248 81 HE2 PHE 10 HE2 PHE 10 13.810 16.549 -3.226 82 HZ PHE 10 HZ PHE 10 14.369 18.162 -1.426 83 HA PRO 11 HA PRO 11 19.577 9.382 -2.929 84 HB2 PRO 11 1HB PRO 11 19.354 8.984 -5.661 85 HB3 PRO 11 2HB PRO 11 18.245 8.364 -4.427 86 HG2 PRO 11 1HG PRO 11 17.978 10.749 -6.174 87 HG3 PRO 11 2HG PRO 11 16.752 9.579 -5.656 88 HD2 PRO 11 1HD PRO 11 16.945 12.027 -4.519 89 HD3 PRO 11 2HD PRO 11 16.436 10.596 -3.596 90 HA PRO 12 HA PRO 12 22.593 11.350 -6.267 91 HB2 PRO 12 1HB PRO 12 22.593 14.142 -5.227 92 HB3 PRO 12 2HB PRO 12 22.760 13.552 -6.893 93 HG2 PRO 12 1HG PRO 12 20.506 14.662 -6.059 94 HG3 PRO 12 2HG PRO 12 20.496 13.277 -7.170 95 HD2 PRO 12 1HD PRO 12 19.895 13.336 -4.238 96 HD3 PRO 12 2HD PRO 12 19.152 12.360 -5.522 97 H THR 13 H THR 13 22.261 12.239 -2.888 98 HA THR 13 HA THR 13 24.906 12.916 -2.281 99 HB THR 13 HB THR 13 22.975 11.441 -0.484 100 HG1 THR 13 HG1 THR 13 21.847 13.184 -0.628 101 HG21 THR 13 1HG2 THR 13 25.144 11.538 0.523 102 HG22 THR 13 2HG2 THR 13 24.206 12.842 1.250 103 HG23 THR 13 3HG2 THR 13 25.388 13.201 -0.009 104 H SER 14 H SER 14 23.610 9.787 -3.061 105 HA SER 14 HA SER 14 25.176 8.162 -1.390 106 HB2 SER 14 1HB SER 14 24.141 7.511 -4.157 107 HB3 SER 14 2HB SER 14 24.639 6.354 -2.927 108 HG SER 14 HG SER 14 22.377 8.004 -3.062 109 H ILE 15 H ILE 15 25.929 9.693 -4.507 110 HA ILE 15 HA ILE 15 28.201 8.109 -5.085 111 HB ILE 15 HB ILE 15 28.907 9.804 -6.624 112 HG12 ILE 15 1HG1 ILE 15 26.869 11.668 -5.377 113 HG13 ILE 15 2HG1 ILE 15 28.603 11.766 -5.092 114 HG21 ILE 15 1HG2 ILE 15 25.889 9.905 -6.616 115 HG22 ILE 15 2HG2 ILE 15 26.793 8.457 -7.061 116 HG23 ILE 15 3HG2 ILE 15 26.976 9.936 -8.005 117 HD11 ILE 15 1HD1 ILE 15 28.821 11.869 -7.667 118 HD12 ILE 15 2HD1 ILE 15 28.236 13.311 -6.837 119 HD13 ILE 15 3HD1 ILE 15 27.098 12.245 -7.660 120 H LEU 16 H LEU 16 27.810 10.943 -3.002 121 HA LEU 16 HA LEU 16 30.538 11.374 -2.434 122 HB2 LEU 16 1HB LEU 16 28.669 12.881 -1.746 123 HB3 LEU 16 2HB LEU 16 28.216 11.696 -0.521 124 HG LEU 16 HG LEU 16 30.583 11.858 0.369 125 HD11 LEU 16 1HD1 LEU 16 31.631 14.155 -0.304 126 HD12 LEU 16 2HD1 LEU 16 30.624 14.003 -1.744 127 HD13 LEU 16 3HD1 LEU 16 31.842 12.779 -1.387 128 HD21 LEU 16 1HD2 LEU 16 30.164 13.993 1.536 129 HD22 LEU 16 2HD2 LEU 16 28.684 13.040 1.428 130 HD23 LEU 16 3HD2 LEU 16 28.934 14.407 0.342 131 H LEU 17 H LEU 17 28.185 9.100 -1.054 132 HA LEU 17 HA LEU 17 29.853 8.055 0.972 133 HB2 LEU 17 1HB LEU 17 27.785 6.536 -0.633 134 HB3 LEU 17 2HB LEU 17 28.434 6.079 0.939 135 HG LEU 17 HG LEU 17 26.918 8.647 0.390 136 HD11 LEU 17 1HD1 LEU 17 25.077 7.586 1.617 137 HD12 LEU 17 2HD1 LEU 17 26.030 6.115 1.805 138 HD13 LEU 17 3HD1 LEU 17 25.495 6.620 0.202 139 HD21 LEU 17 1HD2 LEU 17 28.304 9.047 2.257 140 HD22 LEU 17 2HD2 LEU 17 28.156 7.388 2.836 141 HD23 LEU 17 3HD2 LEU 17 26.796 8.500 2.988 142 H LEU 18 H LEU 18 29.639 7.283 -2.478 143 HA LEU 18 HA LEU 18 31.395 5.076 -2.476 144 HB2 LEU 18 1HB LEU 18 31.075 7.147 -4.658 145 HB3 LEU 18 2HB LEU 18 31.752 5.532 -4.841 146 HG LEU 18 HG LEU 18 28.925 6.102 -3.904 147 HD11 LEU 18 1HD1 LEU 18 28.214 5.425 -6.118 148 HD12 LEU 18 2HD1 LEU 18 29.873 5.048 -6.584 149 HD13 LEU 18 3HD1 LEU 18 29.396 6.722 -6.303 150 HD21 LEU 18 1HD2 LEU 18 29.503 3.986 -3.058 151 HD22 LEU 18 2HD2 LEU 18 30.546 3.618 -4.432 152 HD23 LEU 18 3HD2 LEU 18 28.793 3.587 -4.622 153 H LEU 19 H LEU 19 32.048 8.556 -2.548 154 HA LEU 19 HA LEU 19 34.833 8.433 -2.937 155 HB2 LEU 19 1HB LEU 19 33.475 10.529 -2.924 156 HB3 LEU 19 2HB LEU 19 33.357 10.394 -1.170 157 HG LEU 19 HG LEU 19 35.894 10.334 -1.112 158 HD11 LEU 19 1HD1 LEU 19 36.793 11.585 -3.266 159 HD12 LEU 19 2HD1 LEU 19 35.398 10.824 -4.030 160 HD13 LEU 19 3HD1 LEU 19 36.632 9.831 -3.255 161 HD21 LEU 19 1HD2 LEU 19 34.357 12.739 -2.112 162 HD22 LEU 19 2HD2 LEU 19 36.046 12.843 -1.618 163 HD23 LEU 19 3HD2 LEU 19 34.815 12.357 -0.453 164 H ALA 20 H ALA 20 32.891 8.012 -0.010 165 HA ALA 20 HA ALA 20 35.005 7.871 1.849 166 HB1 ALA 20 1HB ALA 20 32.543 6.148 2.035 167 HB2 ALA 20 2HB ALA 20 32.465 7.893 2.279 168 HB3 ALA 20 3HB ALA 20 33.463 6.897 3.338 169 H CYS 21 H CYS 21 33.565 5.384 -0.225 170 HA CYS 21 HA CYS 21 35.012 3.182 0.772 171 HB2 CYS 21 1HB CYS 21 34.026 3.708 -2.042 172 HB3 CYS 21 2HB CYS 21 34.579 2.145 -1.438 173 HG CYS 21 HG CYS 21 32.313 1.820 -0.515 174 H ILE 22 H ILE 22 35.828 5.565 -1.729 175 HA ILE 22 HA ILE 22 38.219 4.354 -2.598 176 HB ILE 22 HB ILE 22 37.515 7.300 -2.511 177 HG12 ILE 22 1HG1 ILE 22 37.227 5.271 -4.748 178 HG13 ILE 22 2HG1 ILE 22 35.897 5.797 -3.716 179 HG21 ILE 22 1HG2 ILE 22 39.168 7.542 -4.292 180 HG22 ILE 22 2HG2 ILE 22 39.504 5.811 -4.253 181 HG23 ILE 22 3HG2 ILE 22 39.944 6.825 -2.879 182 HD11 ILE 22 1HD1 ILE 22 36.280 8.138 -4.439 183 HD12 ILE 22 2HD1 ILE 22 35.902 7.085 -5.803 184 HD13 ILE 22 3HD1 ILE 22 37.568 7.584 -5.510 185 H PHE 23 H PHE 23 37.573 6.538 0.134 186 HA PHE 23 HA PHE 23 40.256 6.920 0.911 187 HB2 PHE 23 1HB PHE 23 37.685 6.905 2.460 188 HB3 PHE 23 2HB PHE 23 39.227 7.122 3.261 189 HD1 PHE 23 HD1 PHE 23 37.910 8.400 -0.007 190 HD2 PHE 23 HD2 PHE 23 39.406 9.354 3.904 191 HE1 PHE 23 HE1 PHE 23 37.840 10.814 -0.570 192 HE2 PHE 23 HE2 PHE 23 39.336 11.768 3.341 193 HZ PHE 23 HZ PHE 23 38.553 12.498 1.103 194 H LEU 24 H LEU 24 38.016 4.249 1.554 195 HA LEU 24 HA LEU 24 39.643 2.840 3.375 196 HB2 LEU 24 1HB LEU 24 37.810 1.639 1.286 197 HB3 LEU 24 2HB LEU 24 38.399 0.848 2.744 198 HG LEU 24 HG LEU 24 36.707 3.363 2.730 199 HD11 LEU 24 1HD1 LEU 24 35.995 0.461 3.253 200 HD12 LEU 24 2HD1 LEU 24 35.384 1.477 1.946 201 HD13 LEU 24 3HD1 LEU 24 34.936 1.823 3.617 202 HD21 LEU 24 1HD2 LEU 24 37.947 3.354 4.740 203 HD22 LEU 24 2HD2 LEU 24 37.886 1.597 4.874 204 HD23 LEU 24 3HD2 LEU 24 36.440 2.555 5.189 205 H ILE 25 H ILE 25 39.676 2.932 -0.170 206 HA ILE 25 HA ILE 25 41.649 0.953 -0.565 207 HB ILE 25 HB ILE 25 41.248 3.478 -2.192 208 HG12 ILE 25 1HG1 ILE 25 40.054 0.718 -2.585 209 HG13 ILE 25 2HG1 ILE 25 39.182 2.071 -1.864 210 HG21 ILE 25 1HG2 ILE 25 43.366 2.241 -2.633 211 HG22 ILE 25 2HG2 ILE 25 42.257 2.185 -4.004 212 HG23 ILE 25 3HG2 ILE 25 42.420 0.784 -2.945 213 HD11 ILE 25 1HD1 ILE 25 40.280 1.876 -4.676 214 HD12 ILE 25 2HD1 ILE 25 39.719 3.391 -3.968 215 HD13 ILE 25 3HD1 ILE 25 38.595 2.050 -4.189 216 H LYS 26 H LYS 26 41.932 4.388 0.278 217 HA LYS 26 HA LYS 26 44.734 4.601 0.116 218 HB2 LYS 26 1HB LYS 26 43.068 6.470 0.549 219 HB3 LYS 26 2HB LYS 26 43.045 5.938 2.230 220 HG2 LYS 26 1HG LYS 26 45.624 6.112 2.117 221 HG3 LYS 26 2HG LYS 26 45.357 7.065 0.657 222 HD2 LYS 26 1HD LYS 26 44.017 7.687 3.298 223 HD3 LYS 26 2HD LYS 26 45.540 8.421 2.793 224 HE2 LYS 26 1HE LYS 26 42.949 8.551 1.223 225 HE3 LYS 26 2HE LYS 26 43.588 9.852 2.229 226 HZ1 LYS 26 1HZ LYS 26 44.712 8.733 -0.264 227 HZ2 LYS 26 2HZ LYS 26 45.674 9.622 0.819 228 HZ3 LYS 26 3HZ LYS 26 44.321 10.345 0.088 229 H ILE 27 H ILE 27 42.659 3.312 2.682 230 HA ILE 27 HA ILE 27 44.672 2.910 4.617 231 HB ILE 27 HB ILE 27 42.250 1.155 4.134 232 HG12 ILE 27 1HG1 ILE 27 42.554 3.555 5.963 233 HG13 ILE 27 2HG1 ILE 27 41.758 3.617 4.391 234 HG21 ILE 27 1HG2 ILE 27 42.484 0.566 6.476 235 HG22 ILE 27 2HG2 ILE 27 43.825 1.693 6.667 236 HG23 ILE 27 3HG2 ILE 27 44.021 0.252 5.670 237 HD11 ILE 27 1HD1 ILE 27 40.919 2.056 6.838 238 HD12 ILE 27 2HD1 ILE 27 40.281 1.700 5.233 239 HD13 ILE 27 3HD1 ILE 27 40.002 3.281 5.962 240 H LEU 28 H LEU 28 43.705 0.944 1.834 241 HA LEU 28 HA LEU 28 45.303 -1.310 2.382 242 HB2 LEU 28 1HB LEU 28 44.660 -0.149 -0.338 243 HB3 LEU 28 2HB LEU 28 45.190 -1.793 -0.005 244 HG LEU 28 HG LEU 28 42.651 -0.554 1.096 245 HD11 LEU 28 1HD1 LEU 28 41.453 -1.709 -0.576 246 HD12 LEU 28 2HD1 LEU 28 42.826 -2.740 -0.975 247 HD13 LEU 28 3HD1 LEU 28 42.831 -1.042 -1.451 248 HD21 LEU 28 1HD2 LEU 28 43.987 -3.242 1.331 249 HD22 LEU 28 2HD2 LEU 28 42.231 -3.120 1.441 250 HD23 LEU 28 3HD2 LEU 28 43.250 -2.260 2.596 251 H ALA 29 H ALA 29 46.119 1.777 0.863 252 HA ALA 29 HA ALA 29 48.794 1.156 0.192 253 HB1 ALA 29 1HB ALA 29 49.126 3.471 -0.072 254 HB2 ALA 29 2HB ALA 29 47.917 3.873 1.147 255 HB3 ALA 29 3HB ALA 29 47.413 3.239 -0.420 256 H ALA 30 H ALA 30 47.353 2.338 3.199 257 HA ALA 30 HA ALA 30 49.734 2.901 4.575 258 HB1 ALA 30 1HB ALA 30 47.139 1.881 5.752 259 HB2 ALA 30 2HB ALA 30 47.472 3.566 5.349 260 HB3 ALA 30 3HB ALA 30 48.407 2.759 6.608 261 H SER 31 H SER 31 47.953 -0.132 4.188 262 HA SER 31 HA SER 31 49.406 -1.681 6.034 263 HB2 SER 31 1HB SER 31 48.559 -3.603 4.881 264 HB3 SER 31 2HB SER 31 47.306 -2.368 4.818 265 HG SER 31 HG SER 31 47.464 -2.957 2.751 266 H ALA 32 H ALA 32 50.146 -0.754 2.699 267 HA ALA 32 HA ALA 32 52.309 -2.537 2.301 268 HB1 ALA 32 1HB ALA 32 52.935 -1.121 0.464 269 HB2 ALA 32 2HB ALA 32 52.053 0.246 1.144 270 HB3 ALA 32 3HB ALA 32 51.172 -1.150 0.524 271 H LEU 33 H LEU 33 52.191 0.807 3.523 272 HA LEU 33 HA LEU 33 54.953 1.111 3.971 273 HB2 LEU 33 1HB LEU 33 53.202 2.909 4.070 274 HB3 LEU 33 2HB LEU 33 52.732 2.289 5.651 275 HG LEU 33 HG LEU 33 55.635 2.884 5.191 276 HD11 LEU 33 1HD1 LEU 33 53.561 5.018 5.784 277 HD12 LEU 33 2HD1 LEU 33 54.455 4.863 4.272 278 HD13 LEU 33 3HD1 LEU 33 55.310 5.247 5.766 279 HD21 LEU 33 1HD2 LEU 33 55.270 2.067 7.344 280 HD22 LEU 33 2HD2 LEU 33 53.679 2.815 7.470 281 HD23 LEU 33 3HD2 LEU 33 55.133 3.800 7.629 282 H TRP 34 H TRP 34 52.427 -0.369 5.972 283 HA TRP 34 HA TRP 34 53.948 -0.776 8.302 284 HB2 TRP 34 1HB TRP 34 51.493 -1.156 8.073 285 HB3 TRP 34 2HB TRP 34 51.844 -2.621 7.177 286 HD1 TRP 34 HD1 TRP 34 52.230 -4.756 8.529 287 HE1 TRP 34 HE1 TRP 34 52.425 -5.308 11.039 288 HE3 TRP 34 HE3 TRP 34 52.418 -0.032 10.460 289 HZ2 TRP 34 HZ2 TRP 34 52.631 -3.926 13.540 290 HZ3 TRP 34 HZ3 TRP 34 52.612 0.321 12.901 291 HH2 TRP 34 HH2 TRP 34 52.719 -1.615 14.444 292 H ALA 35 H ALA 35 53.817 -2.617 5.289 293 HA ALA 35 HA ALA 35 55.339 -4.834 6.126 294 HB1 ALA 35 1HB ALA 35 55.676 -5.306 3.819 295 HB2 ALA 35 2HB ALA 35 55.472 -3.613 3.369 296 HB3 ALA 35 3HB ALA 35 54.087 -4.550 3.929 297 H ALA 36 H ALA 36 56.323 -1.692 4.827 298 HA ALA 36 HA ALA 36 59.082 -2.220 4.626 299 HB1 ALA 36 1HB ALA 36 59.383 0.199 4.650 300 HB2 ALA 36 2HB ALA 36 57.762 0.418 5.310 301 HB3 ALA 36 3HB ALA 36 57.972 -0.214 3.676 302 H ALA 37 H ALA 37 57.144 -1.011 7.337 303 HA ALA 37 HA ALA 37 59.262 -0.674 9.168 304 HB1 ALA 37 1HB ALA 37 57.391 -1.082 10.894 305 HB2 ALA 37 2HB ALA 37 56.320 -1.207 9.498 306 HB3 ALA 37 3HB ALA 37 57.213 0.285 9.795 307 H TRP 38 H TRP 38 57.315 -3.502 8.355 308 HA TRP 38 HA TRP 38 58.122 -5.246 10.362 309 HB2 TRP 38 1HB TRP 38 56.321 -5.651 8.695 310 HB3 TRP 38 2HB TRP 38 57.556 -5.962 7.489 311 HD1 TRP 38 HD1 TRP 38 55.824 -7.475 10.493 312 HE1 TRP 38 HE1 TRP 38 56.484 -9.958 10.691 313 HE3 TRP 38 HE3 TRP 38 59.519 -7.689 6.974 314 HZ2 TRP 38 HZ2 TRP 38 58.337 -11.796 9.513 315 HZ3 TRP 38 HZ3 TRP 38 60.713 -9.813 6.534 316 HH2 TRP 38 HH2 TRP 38 60.129 -11.865 7.795 317 H HIS 39 H HIS 39 59.827 -4.377 7.374 318 HA HIS 39 HA HIS 39 62.014 -6.178 7.950 319 HB2 HIS 39 1HB HIS 39 61.580 -5.409 5.659 320 HB3 HIS 39 2HB HIS 39 61.871 -3.751 6.149 321 HD1 HIS 39 HD1 HIS 39 64.324 -3.014 6.455 322 HD2 HIS 39 HD2 HIS 39 63.922 -7.025 5.393 323 HE1 HIS 39 HE1 HIS 39 66.640 -3.826 5.835 324 H GLY 40 H GLY 40 61.965 -2.608 7.789 325 HA2 GLY 40 1HA GLY 40 62.911 -2.554 10.566 326 HA3 GLY 40 2HA GLY 40 63.835 -1.655 9.363 327 H GLN 41 H GLN 41 61.273 -1.409 11.559 328 HA GLN 41 HA GLN 41 59.846 0.737 10.605 329 HB2 GLN 41 1HB GLN 41 59.673 1.521 12.916 330 HB3 GLN 41 2HB GLN 41 59.529 -0.233 12.847 331 HG2 GLN 41 1HG GLN 41 61.919 -0.445 13.457 332 HG3 GLN 41 2HG GLN 41 62.042 1.311 13.555 333 HE21 GLN 41 1HE2 GLN 41 61.215 2.350 15.445 334 HE22 GLN 41 2HE2 GLN 41 60.562 1.494 16.756 335 H LYS 42 H LYS 42 60.152 2.955 10.395 336 HA LYS 42 HA LYS 42 62.635 3.771 9.446 337 HB2 LYS 42 1HB LYS 42 60.278 5.385 10.426 338 HB3 LYS 42 2HB LYS 42 61.689 6.111 9.654 339 HG2 LYS 42 1HG LYS 42 60.235 3.826 8.337 340 HG3 LYS 42 2HG LYS 42 59.651 5.482 8.158 341 HD2 LYS 42 1HD LYS 42 62.555 4.883 7.669 342 HD3 LYS 42 2HD LYS 42 61.370 4.518 6.414 343 HE2 LYS 42 1HE LYS 42 61.316 7.212 7.738 344 HE3 LYS 42 2HE LYS 42 62.514 6.890 6.483 345 HZ1 LYS 42 1HZ LYS 42 60.530 6.021 5.154 346 HZ2 LYS 42 2HZ LYS 42 60.695 7.703 5.326 347 HZ3 LYS 42 3HZ LYS 42 59.569 6.856 6.276 348 HA PRO 43 HA PRO 43 64.948 4.686 13.184 349 HB2 PRO 43 1HB PRO 43 66.039 7.076 11.792 350 HB3 PRO 43 2HB PRO 43 66.894 5.707 12.528 351 HG2 PRO 43 1HG PRO 43 66.716 5.990 9.888 352 HG3 PRO 43 2HG PRO 43 66.682 4.395 10.664 353 HD2 PRO 43 1HD PRO 43 64.413 5.968 9.504 354 HD3 PRO 43 2HD PRO 43 64.686 4.211 9.506 355 H GLY 44 H GLY 44 64.638 5.945 15.001 356 HA2 GLY 44 1HA GLY 44 63.623 7.470 16.395 357 HA3 GLY 44 2HA GLY 44 64.093 8.641 15.170 358 H THR 45 H THR 45 62.064 9.667 16.046 359 HA THR 45 HA THR 45 59.494 8.672 15.587 360 HB THR 45 HB THR 45 60.379 11.555 15.358 361 HG1 THR 45 HG1 THR 45 60.704 11.444 17.412 362 HG21 THR 45 1HG2 THR 45 58.050 11.943 16.227 363 HG22 THR 45 2HG2 THR 45 57.735 10.223 15.998 364 HG23 THR 45 3HG2 THR 45 58.099 11.245 14.607 365 H HIS 46 H HIS 46 61.817 9.965 13.297 366 HA HIS 46 HA HIS 46 59.968 10.572 11.215 367 HB2 HIS 46 1HB HIS 46 62.911 9.901 11.124 368 HB3 HIS 46 2HB HIS 46 61.983 10.478 9.754 369 HD1 HIS 46 HD1 HIS 46 63.556 11.586 12.958 370 HD2 HIS 46 HD2 HIS 46 61.320 13.262 9.864 371 HE1 HIS 46 HE1 HIS 46 63.709 14.096 13.243 Start of MODEL 7 1 H ARG 1 3H ARG 1 23.947 29.417 11.768 2 HA ARG 1 HA ARG 1 25.747 28.101 13.032 3 HB2 ARG 1 1HB ARG 1 25.281 29.324 15.170 4 HB3 ARG 1 2HB ARG 1 23.685 28.574 15.204 5 HG2 ARG 1 1HG ARG 1 24.755 26.335 15.186 6 HG3 ARG 1 2HG ARG 1 26.340 27.109 15.222 7 HD2 ARG 1 1HD ARG 1 25.691 28.237 17.355 8 HD3 ARG 1 2HD ARG 1 24.181 27.330 17.336 9 HE ARG 1 HE ARG 1 26.827 26.303 17.963 10 HH11 ARG 1 1HH1 ARG 1 23.537 25.462 17.070 11 HH12 ARG 1 2HH1 ARG 1 23.681 23.845 17.675 12 HH21 ARG 1 1HH2 ARG 1 26.952 24.211 18.724 13 HH22 ARG 1 2HH2 ARG 1 25.591 23.147 18.600 14 H SER 2 H SER 2 22.271 28.050 13.858 15 HA SER 2 HA SER 2 21.853 25.333 13.351 16 HB2 SER 2 1HB SER 2 19.491 25.857 13.342 17 HB3 SER 2 2HB SER 2 20.289 26.836 14.569 18 HG SER 2 HG SER 2 19.244 27.558 12.064 19 H LEU 3 H LEU 3 22.113 27.978 11.084 20 HA LEU 3 HA LEU 3 20.648 26.976 8.925 21 HB2 LEU 3 1HB LEU 3 23.218 28.571 8.838 22 HB3 LEU 3 2HB LEU 3 22.056 28.404 7.522 23 HG LEU 3 HG LEU 3 21.419 29.591 10.240 24 HD11 LEU 3 1HD1 LEU 3 22.922 31.068 9.030 25 HD12 LEU 3 2HD1 LEU 3 21.293 31.735 8.938 26 HD13 LEU 3 3HD1 LEU 3 21.976 30.883 7.553 27 HD21 LEU 3 1HD2 LEU 3 19.393 28.764 9.359 28 HD22 LEU 3 2HD2 LEU 3 19.859 29.134 7.699 29 HD23 LEU 3 3HD2 LEU 3 19.416 30.436 8.802 30 H LEU 4 H LEU 4 23.721 25.883 10.177 31 HA LEU 4 HA LEU 4 24.839 24.743 7.871 32 HB2 LEU 4 1HB LEU 4 25.960 25.036 10.076 33 HB3 LEU 4 2HB LEU 4 25.021 23.686 10.697 34 HG LEU 4 HG LEU 4 26.494 23.184 8.144 35 HD11 LEU 4 1HD1 LEU 4 27.962 23.250 10.793 36 HD12 LEU 4 2HD1 LEU 4 28.113 24.500 9.556 37 HD13 LEU 4 3HD1 LEU 4 28.631 22.850 9.210 38 HD21 LEU 4 1HD2 LEU 4 25.221 21.388 9.217 39 HD22 LEU 4 2HD2 LEU 4 26.100 21.634 10.723 40 HD23 LEU 4 3HD2 LEU 4 26.941 21.018 9.302 41 H GLU 5 H GLU 5 22.211 23.632 9.893 42 HA GLU 5 HA GLU 5 22.218 20.956 8.746 43 HB2 GLU 5 1HB GLU 5 21.632 21.436 11.132 44 HB3 GLU 5 2HB GLU 5 20.174 22.243 10.561 45 HG2 GLU 5 1HG GLU 5 19.581 19.983 11.145 46 HG3 GLU 5 2HG GLU 5 19.534 20.104 9.394 47 H GLY 6 H GLY 6 20.746 24.002 7.999 48 HA2 GLY 6 1HA GLY 6 18.550 22.772 6.519 49 HA3 GLY 6 2HA GLY 6 18.787 24.489 6.795 50 H GLU 7 H GLU 7 21.684 23.075 5.673 51 HA GLU 7 HA GLU 7 21.308 24.364 3.085 52 HB2 GLU 7 1HB GLU 7 23.402 24.650 4.445 53 HB3 GLU 7 2HB GLU 7 23.751 22.943 4.168 54 HG2 GLU 7 1HG GLU 7 23.685 23.353 1.718 55 HG3 GLU 7 2HG GLU 7 23.418 25.062 2.028 56 H ILE 8 H ILE 8 21.573 23.285 1.085 57 HA ILE 8 HA ILE 8 20.418 20.660 1.131 58 HB ILE 8 HB ILE 8 19.706 22.353 -0.490 59 HG12 ILE 8 1HG1 ILE 8 20.047 20.902 -2.594 60 HG13 ILE 8 2HG1 ILE 8 20.941 19.805 -1.543 61 HG21 ILE 8 1HG2 ILE 8 21.215 22.881 -2.411 62 HG22 ILE 8 2HG2 ILE 8 22.523 22.057 -1.563 63 HG23 ILE 8 3HG2 ILE 8 21.803 23.511 -0.873 64 HD11 ILE 8 1HD1 ILE 8 18.544 19.177 -1.714 65 HD12 ILE 8 2HD1 ILE 8 18.103 20.750 -1.050 66 HD13 ILE 8 3HD1 ILE 8 19.000 19.596 -0.062 67 HA PRO 9 HA PRO 9 24.376 18.508 0.633 68 HB2 PRO 9 1HB PRO 9 22.957 16.333 -0.765 69 HB3 PRO 9 2HB PRO 9 23.851 16.297 0.764 70 HG2 PRO 9 1HG PRO 9 21.179 16.091 0.635 71 HG3 PRO 9 2HG PRO 9 22.026 16.834 2.003 72 HD2 PRO 9 1HD PRO 9 20.563 18.164 -0.247 73 HD3 PRO 9 2HD PRO 9 20.662 18.620 1.470 74 H PHE 10 H PHE 10 25.904 18.185 -1.014 75 HA PHE 10 HA PHE 10 25.630 19.587 -3.403 76 HB2 PHE 10 1HB PHE 10 27.467 17.245 -2.897 77 HB3 PHE 10 2HB PHE 10 27.674 18.485 -4.120 78 HD1 PHE 10 HD1 PHE 10 27.144 20.970 -2.703 79 HD2 PHE 10 HD2 PHE 10 29.196 17.445 -1.358 80 HE1 PHE 10 HE1 PHE 10 28.428 22.337 -1.081 81 HE2 PHE 10 HE2 PHE 10 30.480 18.812 0.265 82 HZ PHE 10 HZ PHE 10 30.096 21.258 0.403 83 HA PRO 11 HA PRO 11 23.009 17.208 -5.917 84 HB2 PRO 11 1HB PRO 11 24.888 17.408 -8.212 85 HB3 PRO 11 2HB PRO 11 23.191 17.907 -8.085 86 HG2 PRO 11 1HG PRO 11 25.184 19.675 -8.081 87 HG3 PRO 11 2HG PRO 11 23.710 19.914 -7.125 88 HD2 PRO 11 1HD PRO 11 26.437 19.121 -6.204 89 HD3 PRO 11 2HD PRO 11 25.191 20.084 -5.377 90 HA PRO 12 HA PRO 12 25.901 13.389 -7.010 91 HB2 PRO 12 1HB PRO 12 27.968 13.996 -4.945 92 HB3 PRO 12 2HB PRO 12 28.144 13.175 -6.506 93 HG2 PRO 12 1HG PRO 12 28.990 15.667 -6.147 94 HG3 PRO 12 2HG PRO 12 28.283 15.134 -7.682 95 HD2 PRO 12 1HD PRO 12 27.087 16.861 -5.565 96 HD3 PRO 12 2HD PRO 12 26.817 16.875 -7.321 97 H THR 13 H THR 13 25.214 11.588 -5.836 98 HA THR 13 HA THR 13 24.652 11.993 -2.957 99 HB THR 13 HB THR 13 22.863 10.565 -4.936 100 HG1 THR 13 HG1 THR 13 22.488 12.666 -5.218 101 HG21 THR 13 1HG2 THR 13 22.841 9.555 -2.691 102 HG22 THR 13 2HG2 THR 13 21.329 10.405 -3.009 103 HG23 THR 13 3HG2 THR 13 22.554 11.142 -1.976 104 H SER 14 H SER 14 23.983 8.980 -4.706 105 HA SER 14 HA SER 14 25.298 7.437 -2.757 106 HB2 SER 14 1HB SER 14 24.683 6.669 -5.618 107 HB3 SER 14 2HB SER 14 25.003 5.563 -4.286 108 HG SER 14 HG SER 14 22.702 6.663 -5.003 109 H ILE 15 H ILE 15 26.443 8.768 -5.843 110 HA ILE 15 HA ILE 15 28.873 7.340 -5.961 111 HB ILE 15 HB ILE 15 27.961 8.674 -7.828 112 HG12 ILE 15 1HG1 ILE 15 30.174 9.747 -8.456 113 HG13 ILE 15 2HG1 ILE 15 30.748 9.321 -6.842 114 HG21 ILE 15 1HG2 ILE 15 27.234 10.628 -6.456 115 HG22 ILE 15 2HG2 ILE 15 28.201 11.094 -7.856 116 HG23 ILE 15 3HG2 ILE 15 28.928 11.073 -6.250 117 HD11 ILE 15 1HD1 ILE 15 31.215 7.650 -8.771 118 HD12 ILE 15 2HD1 ILE 15 29.504 7.242 -8.634 119 HD13 ILE 15 3HD1 ILE 15 30.579 7.008 -7.256 120 H LEU 16 H LEU 16 27.963 10.242 -4.139 121 HA LEU 16 HA LEU 16 30.539 10.931 -3.216 122 HB2 LEU 16 1HB LEU 16 28.496 12.321 -2.898 123 HB3 LEU 16 2HB LEU 16 27.932 11.160 -1.695 124 HG LEU 16 HG LEU 16 30.108 11.545 -0.452 125 HD11 LEU 16 1HD1 LEU 16 30.317 13.682 -2.581 126 HD12 LEU 16 2HD1 LEU 16 31.516 12.466 -2.139 127 HD13 LEU 16 3HD1 LEU 16 31.172 13.803 -1.044 128 HD21 LEU 16 1HD2 LEU 16 28.210 13.867 -0.901 129 HD22 LEU 16 2HD2 LEU 16 29.375 13.790 0.421 130 HD23 LEU 16 3HD2 LEU 16 28.068 12.608 0.326 131 H LEU 17 H LEU 17 28.181 8.545 -2.039 132 HA LEU 17 HA LEU 17 29.604 7.742 0.259 133 HB2 LEU 17 1HB LEU 17 27.921 5.977 -1.532 134 HB3 LEU 17 2HB LEU 17 28.363 5.654 0.141 135 HG LEU 17 HG LEU 17 26.747 8.052 -0.773 136 HD11 LEU 17 1HD1 LEU 17 25.866 5.529 0.664 137 HD12 LEU 17 2HD1 LEU 17 25.540 5.892 -1.032 138 HD13 LEU 17 3HD1 LEU 17 24.837 6.895 0.236 139 HD21 LEU 17 1HD2 LEU 17 27.818 8.656 1.245 140 HD22 LEU 17 2HD2 LEU 17 27.702 7.022 1.899 141 HD23 LEU 17 3HD2 LEU 17 26.259 8.030 1.782 142 H LEU 18 H LEU 18 29.961 6.787 -3.134 143 HA LEU 18 HA LEU 18 31.901 4.776 -2.756 144 HB2 LEU 18 1HB LEU 18 30.780 5.310 -4.936 145 HB3 LEU 18 2HB LEU 18 31.823 6.726 -5.065 146 HG LEU 18 HG LEU 18 33.800 5.152 -4.772 147 HD11 LEU 18 1HD1 LEU 18 31.539 3.173 -5.087 148 HD12 LEU 18 2HD1 LEU 18 32.800 3.202 -3.855 149 HD13 LEU 18 3HD1 LEU 18 33.200 2.760 -5.515 150 HD21 LEU 18 1HD2 LEU 18 33.903 4.709 -7.091 151 HD22 LEU 18 2HD2 LEU 18 32.799 6.082 -6.984 152 HD23 LEU 18 3HD2 LEU 18 32.162 4.453 -7.208 153 H LEU 19 H LEU 19 32.213 8.301 -2.872 154 HA LEU 19 HA LEU 19 35.018 8.484 -2.807 155 HB2 LEU 19 1HB LEU 19 33.074 10.300 -2.870 156 HB3 LEU 19 2HB LEU 19 33.356 10.330 -1.137 157 HG LEU 19 HG LEU 19 34.691 12.056 -2.180 158 HD11 LEU 19 1HD1 LEU 19 35.688 10.413 -0.373 159 HD12 LEU 19 2HD1 LEU 19 36.710 11.629 -1.141 160 HD13 LEU 19 3HD1 LEU 19 36.763 9.954 -1.693 161 HD21 LEU 19 1HD2 LEU 19 34.736 10.618 -4.408 162 HD22 LEU 19 2HD2 LEU 19 36.286 10.080 -3.761 163 HD23 LEU 19 3HD2 LEU 19 36.003 11.794 -4.061 164 H ALA 20 H ALA 20 32.675 7.911 -0.211 165 HA ALA 20 HA ALA 20 34.476 7.971 1.958 166 HB1 ALA 20 1HB ALA 20 32.785 6.966 3.222 167 HB2 ALA 20 2HB ALA 20 32.177 6.039 1.852 168 HB3 ALA 20 3HB ALA 20 31.883 7.775 1.941 169 H CYS 21 H CYS 21 33.572 5.350 -0.247 170 HA CYS 21 HA CYS 21 34.968 3.274 1.039 171 HB2 CYS 21 1HB CYS 21 34.404 3.684 -1.907 172 HB3 CYS 21 2HB CYS 21 34.978 2.176 -1.193 173 HG CYS 21 HG CYS 21 32.642 2.620 0.380 174 H ILE 22 H ILE 22 36.041 5.665 -1.355 175 HA ILE 22 HA ILE 22 38.612 4.591 -1.770 176 HB ILE 22 HB ILE 22 37.712 7.478 -1.941 177 HG12 ILE 22 1HG1 ILE 22 38.001 5.368 -4.101 178 HG13 ILE 22 2HG1 ILE 22 36.468 5.769 -3.329 179 HG21 ILE 22 1HG2 ILE 22 40.188 7.210 -1.846 180 HG22 ILE 22 2HG2 ILE 22 39.645 7.760 -3.430 181 HG23 ILE 22 3HG2 ILE 22 40.097 6.073 -3.190 182 HD11 ILE 22 1HD1 ILE 22 36.579 8.042 -4.138 183 HD12 ILE 22 2HD1 ILE 22 36.855 6.967 -5.506 184 HD13 ILE 22 3HD1 ILE 22 38.213 7.799 -4.751 185 H PHE 23 H PHE 23 37.372 6.746 0.774 186 HA PHE 23 HA PHE 23 39.873 7.375 1.919 187 HB2 PHE 23 1HB PHE 23 37.102 7.198 3.036 188 HB3 PHE 23 2HB PHE 23 38.463 7.447 4.112 189 HD1 PHE 23 HD1 PHE 23 40.003 9.448 3.659 190 HD2 PHE 23 HD2 PHE 23 36.133 8.987 1.854 191 HE1 PHE 23 HE1 PHE 23 39.945 11.878 3.166 192 HE2 PHE 23 HE2 PHE 23 36.076 11.417 1.358 193 HZ PHE 23 HZ PHE 23 37.982 12.862 2.016 194 H LEU 24 H LEU 24 37.765 4.554 2.368 195 HA LEU 24 HA LEU 24 39.330 3.301 4.359 196 HB2 LEU 24 1HB LEU 24 37.481 2.189 2.262 197 HB3 LEU 24 2HB LEU 24 38.377 1.134 3.353 198 HG LEU 24 HG LEU 24 37.444 2.566 5.262 199 HD11 LEU 24 1HD1 LEU 24 36.621 4.501 4.210 200 HD12 LEU 24 2HD1 LEU 24 35.155 3.570 4.521 201 HD13 LEU 24 3HD1 LEU 24 35.866 3.582 2.908 202 HD21 LEU 24 1HD2 LEU 24 35.480 1.221 5.404 203 HD22 LEU 24 2HD2 LEU 24 36.631 0.259 4.477 204 HD23 LEU 24 3HD2 LEU 24 35.332 1.120 3.650 205 H ILE 25 H ILE 25 39.674 3.359 0.837 206 HA ILE 25 HA ILE 25 41.734 1.444 0.649 207 HB ILE 25 HB ILE 25 41.381 3.911 -1.075 208 HG12 ILE 25 1HG1 ILE 25 40.313 1.099 -1.474 209 HG13 ILE 25 2HG1 ILE 25 39.342 2.442 -0.870 210 HG21 ILE 25 1HG2 ILE 25 42.604 2.655 -2.748 211 HG22 ILE 25 2HG2 ILE 25 42.664 1.237 -1.701 212 HG23 ILE 25 3HG2 ILE 25 43.569 2.689 -1.272 213 HD11 ILE 25 1HD1 ILE 25 40.617 2.137 -3.590 214 HD12 ILE 25 2HD1 ILE 25 40.080 3.705 -2.986 215 HD13 ILE 25 3HD1 ILE 25 38.917 2.398 -3.204 216 H LYS 26 H LYS 26 41.841 4.897 1.463 217 HA LYS 26 HA LYS 26 44.643 5.189 1.454 218 HB2 LYS 26 1HB LYS 26 42.596 6.531 3.234 219 HB3 LYS 26 2HB LYS 26 44.277 7.033 3.071 220 HG2 LYS 26 1HG LYS 26 43.978 7.496 0.712 221 HG3 LYS 26 2HG LYS 26 42.349 6.824 0.743 222 HD2 LYS 26 1HD LYS 26 42.051 9.180 0.849 223 HD3 LYS 26 2HD LYS 26 41.802 8.605 2.495 224 HE2 LYS 26 1HE LYS 26 43.262 10.315 2.959 225 HE3 LYS 26 2HE LYS 26 44.456 9.066 2.617 226 HZ1 LYS 26 1HZ LYS 26 45.010 10.985 1.358 227 HZ2 LYS 26 2HZ LYS 26 43.431 11.128 0.748 228 HZ3 LYS 26 3HZ LYS 26 44.414 9.827 0.271 229 H ILE 27 H ILE 27 42.457 3.893 3.927 230 HA ILE 27 HA ILE 27 44.383 3.537 5.961 231 HB ILE 27 HB ILE 27 42.018 1.743 5.353 232 HG12 ILE 27 1HG1 ILE 27 42.204 4.142 7.200 233 HG13 ILE 27 2HG1 ILE 27 41.470 4.189 5.597 234 HG21 ILE 27 1HG2 ILE 27 42.142 1.154 7.712 235 HG22 ILE 27 2HG2 ILE 27 43.481 2.277 7.955 236 HG23 ILE 27 3HG2 ILE 27 43.708 0.837 6.963 237 HD11 ILE 27 1HD1 ILE 27 40.567 2.576 7.992 238 HD12 ILE 27 2HD1 ILE 27 39.964 2.284 6.361 239 HD13 ILE 27 3HD1 ILE 27 39.674 3.838 7.143 240 H LEU 28 H LEU 28 43.544 1.505 3.175 241 HA LEU 28 HA LEU 28 45.262 -0.650 3.763 242 HB2 LEU 28 1HB LEU 28 44.592 0.406 1.007 243 HB3 LEU 28 2HB LEU 28 45.183 -1.203 1.403 244 HG LEU 28 HG LEU 28 42.577 -0.035 2.420 245 HD11 LEU 28 1HD1 LEU 28 43.135 -2.077 0.246 246 HD12 LEU 28 2HD1 LEU 28 42.492 -0.453 0.001 247 HD13 LEU 28 3HD1 LEU 28 41.534 -1.659 0.858 248 HD21 LEU 28 1HD2 LEU 28 42.250 -2.591 2.866 249 HD22 LEU 28 2HD2 LEU 28 43.235 -1.658 3.991 250 HD23 LEU 28 3HD2 LEU 28 44.009 -2.663 2.766 251 H ALA 29 H ALA 29 45.933 2.491 2.316 252 HA ALA 29 HA ALA 29 48.568 1.986 1.460 253 HB1 ALA 29 1HB ALA 29 47.586 4.606 2.597 254 HB2 ALA 29 2HB ALA 29 47.170 4.044 0.977 255 HB3 ALA 29 3HB ALA 29 48.855 4.354 1.398 256 H ALA 30 H ALA 30 47.299 3.013 4.610 257 HA ALA 30 HA ALA 30 49.774 3.350 5.917 258 HB1 ALA 30 1HB ALA 30 48.470 2.810 8.008 259 HB2 ALA 30 2HB ALA 30 47.086 2.456 6.975 260 HB3 ALA 30 3HB ALA 30 47.764 4.083 7.011 261 H SER 31 H SER 31 47.766 0.464 5.444 262 HA SER 31 HA SER 31 49.393 -1.375 6.817 263 HB2 SER 31 1HB SER 31 47.788 -1.892 4.305 264 HB3 SER 31 2HB SER 31 48.326 -3.091 5.474 265 HG SER 31 HG SER 31 46.135 -1.568 5.514 266 H ALA 32 H ALA 32 49.689 0.015 3.576 267 HA ALA 32 HA ALA 32 51.623 -1.781 2.567 268 HB1 ALA 32 1HB ALA 32 51.707 1.121 1.841 269 HB2 ALA 32 2HB ALA 32 50.283 0.175 1.411 270 HB3 ALA 32 3HB ALA 32 51.871 -0.297 0.807 271 H LEU 33 H LEU 33 51.945 1.240 4.423 272 HA LEU 33 HA LEU 33 54.757 1.373 4.411 273 HB2 LEU 33 1HB LEU 33 53.243 3.177 5.231 274 HB3 LEU 33 2HB LEU 33 52.913 2.201 6.663 275 HG LEU 33 HG LEU 33 55.421 2.153 7.070 276 HD11 LEU 33 1HD1 LEU 33 56.538 4.224 5.947 277 HD12 LEU 33 2HD1 LEU 33 55.252 4.066 4.751 278 HD13 LEU 33 3HD1 LEU 33 56.385 2.740 5.008 279 HD21 LEU 33 1HD2 LEU 33 54.186 4.922 7.032 280 HD22 LEU 33 2HD2 LEU 33 55.425 4.323 8.136 281 HD23 LEU 33 3HD2 LEU 33 53.782 3.690 8.229 282 H TRP 34 H TRP 34 52.523 -0.417 6.520 283 HA TRP 34 HA TRP 34 54.440 -1.506 8.272 284 HB2 TRP 34 1HB TRP 34 51.917 -1.709 8.417 285 HB3 TRP 34 2HB TRP 34 52.037 -2.988 7.225 286 HD1 TRP 34 HD1 TRP 34 52.649 -5.341 8.054 287 HE1 TRP 34 HE1 TRP 34 53.208 -6.352 10.359 288 HE3 TRP 34 HE3 TRP 34 53.156 -1.063 10.794 289 HZ2 TRP 34 HZ2 TRP 34 53.794 -5.462 13.018 290 HZ3 TRP 34 HZ3 TRP 34 53.714 -1.170 13.203 291 HH2 TRP 34 HH2 TRP 34 54.034 -3.359 14.319 292 H ALA 35 H ALA 35 53.509 -2.458 5.001 293 HA ALA 35 HA ALA 35 54.997 -4.842 4.836 294 HB1 ALA 35 1HB ALA 35 54.789 -2.996 2.487 295 HB2 ALA 35 2HB ALA 35 53.326 -3.726 3.149 296 HB3 ALA 35 3HB ALA 35 54.629 -4.750 2.547 297 H ALA 36 H ALA 36 55.955 -1.470 4.373 298 HA ALA 36 HA ALA 36 58.527 -1.930 3.330 299 HB1 ALA 36 1HB ALA 36 59.027 0.324 3.927 300 HB2 ALA 36 2HB ALA 36 57.814 0.328 5.207 301 HB3 ALA 36 3HB ALA 36 57.312 0.296 3.517 302 H ALA 37 H ALA 37 57.391 -1.713 6.686 303 HA ALA 37 HA ALA 37 59.896 -2.115 7.932 304 HB1 ALA 37 1HB ALA 37 57.385 -3.266 9.092 305 HB2 ALA 37 2HB ALA 37 57.552 -1.517 8.937 306 HB3 ALA 37 3HB ALA 37 58.711 -2.431 9.901 307 H TRP 38 H TRP 38 57.492 -4.413 6.732 308 HA TRP 38 HA TRP 38 58.611 -6.790 7.646 309 HB2 TRP 38 1HB TRP 38 56.396 -6.468 6.493 310 HB3 TRP 38 2HB TRP 38 57.271 -6.435 4.974 311 HD1 TRP 38 HD1 TRP 38 56.259 -8.761 7.819 312 HE1 TRP 38 HE1 TRP 38 56.542 -11.199 7.037 313 HE3 TRP 38 HE3 TRP 38 58.568 -7.984 3.332 314 HZ2 TRP 38 HZ2 TRP 38 57.608 -12.635 4.799 315 HZ3 TRP 38 HZ3 TRP 38 59.205 -9.899 1.899 316 HH2 TRP 38 HH2 TRP 38 58.731 -12.221 2.623 317 H HIS 39 H HIS 39 59.568 -4.838 4.853 318 HA HIS 39 HA HIS 39 61.570 -6.730 4.003 319 HB2 HIS 39 1HB HIS 39 60.661 -5.059 2.450 320 HB3 HIS 39 2HB HIS 39 61.279 -3.767 3.460 321 HD1 HIS 39 HD1 HIS 39 64.056 -3.941 3.783 322 HD2 HIS 39 HD2 HIS 39 62.370 -5.720 0.411 323 HE1 HIS 39 HE1 HIS 39 65.937 -4.240 2.116 324 H GLY 40 H GLY 40 61.941 -3.433 5.326 325 HA2 GLY 40 1HA GLY 40 63.561 -4.580 7.487 326 HA3 GLY 40 2HA GLY 40 64.241 -3.243 6.564 327 H GLN 41 H GLN 41 62.401 -4.005 9.268 328 HA GLN 41 HA GLN 41 60.960 -1.730 9.777 329 HB2 GLN 41 1HB GLN 41 61.447 -3.730 11.327 330 HB3 GLN 41 2HB GLN 41 62.876 -2.826 11.829 331 HG2 GLN 41 1HG GLN 41 61.437 -0.903 12.440 332 HG3 GLN 41 2HG GLN 41 60.020 -1.821 11.953 333 HE21 GLN 41 1HE2 GLN 41 60.033 -0.955 14.563 334 HE22 GLN 41 2HE2 GLN 41 60.333 -2.246 15.622 335 H LYS 42 H LYS 42 61.459 0.338 10.696 336 HA LYS 42 HA LYS 42 63.348 1.647 9.148 337 HB2 LYS 42 1HB LYS 42 61.251 2.506 10.414 338 HB3 LYS 42 2HB LYS 42 62.389 2.842 11.717 339 HG2 LYS 42 1HG LYS 42 62.305 4.843 10.430 340 HG3 LYS 42 2HG LYS 42 63.810 4.052 9.958 341 HD2 LYS 42 1HD LYS 42 62.947 3.344 7.896 342 HD3 LYS 42 2HD LYS 42 61.274 3.506 8.434 343 HE2 LYS 42 1HE LYS 42 61.416 5.913 8.391 344 HE3 LYS 42 2HE LYS 42 63.155 5.856 8.102 345 HZ1 LYS 42 1HZ LYS 42 62.156 4.342 6.099 346 HZ2 LYS 42 2HZ LYS 42 62.597 5.977 5.962 347 HZ3 LYS 42 3HZ LYS 42 60.977 5.552 6.249 348 HA PRO 43 HA PRO 43 66.378 1.846 13.003 349 HB2 PRO 43 1HB PRO 43 66.218 -1.073 13.627 350 HB3 PRO 43 2HB PRO 43 66.557 0.298 14.706 351 HG2 PRO 43 1HG PRO 43 64.201 -0.883 14.753 352 HG3 PRO 43 2HG PRO 43 64.331 0.883 14.884 353 HD2 PRO 43 1HD PRO 43 63.517 -0.771 12.524 354 HD3 PRO 43 2HD PRO 43 62.875 0.795 13.072 355 H GLY 44 H GLY 44 68.530 1.546 12.450 356 HA2 GLY 44 1HA GLY 44 70.375 0.521 11.422 357 HA3 GLY 44 2HA GLY 44 69.287 -0.643 10.673 358 H THR 45 H THR 45 67.474 1.001 9.409 359 HA THR 45 HA THR 45 68.747 1.574 6.992 360 HB THR 45 HB THR 45 66.170 2.795 7.997 361 HG1 THR 45 HG1 THR 45 65.487 0.828 7.952 362 HG21 THR 45 1HG2 THR 45 65.670 2.568 5.475 363 HG22 THR 45 2HG2 THR 45 67.412 2.375 5.279 364 HG23 THR 45 3HG2 THR 45 66.762 3.862 5.969 365 H HIS 46 H HIS 46 68.370 3.606 9.827 366 HA HIS 46 HA HIS 46 69.195 5.995 8.352 367 HB2 HIS 46 1HB HIS 46 68.557 5.587 11.275 368 HB3 HIS 46 2HB HIS 46 68.937 7.127 10.530 369 HD1 HIS 46 HD1 HIS 46 67.191 7.744 8.444 370 HD2 HIS 46 HD2 HIS 46 65.862 5.073 11.356 371 HE1 HIS 46 HE1 HIS 46 64.667 7.699 8.273 Start of MODEL 8 1 H ARG 1 3H ARG 1 14.211 15.811 10.958 2 HA ARG 1 HA ARG 1 12.973 14.649 9.093 3 HB2 ARG 1 1HB ARG 1 10.827 14.786 11.229 4 HB3 ARG 1 2HB ARG 1 10.539 14.413 9.528 5 HG2 ARG 1 1HG ARG 1 12.095 12.476 9.723 6 HG3 ARG 1 2HG ARG 1 12.263 12.817 11.446 7 HD2 ARG 1 1HD ARG 1 9.762 12.597 11.652 8 HD3 ARG 1 2HD ARG 1 9.729 12.046 9.980 9 HE ARG 1 HE ARG 1 11.504 10.348 11.027 10 HH11 ARG 1 1HH1 ARG 1 8.404 11.372 12.316 11 HH12 ARG 1 2HH1 ARG 1 8.148 9.879 13.157 12 HH21 ARG 1 1HH2 ARG 1 11.119 8.447 12.128 13 HH22 ARG 1 2HH2 ARG 1 9.666 8.245 13.051 14 H SER 2 H SER 2 11.155 16.754 11.317 15 HA SER 2 HA SER 2 10.436 18.673 9.419 16 HB2 SER 2 1HB SER 2 9.773 20.043 11.301 17 HB3 SER 2 2HB SER 2 9.360 18.364 11.629 18 HG SER 2 HG SER 2 11.101 18.217 12.983 19 H LEU 3 H LEU 3 13.519 18.246 10.926 20 HA LEU 3 HA LEU 3 14.233 21.065 10.372 21 HB2 LEU 3 1HB LEU 3 13.930 20.653 12.784 22 HB3 LEU 3 2HB LEU 3 15.174 19.404 12.715 23 HG LEU 3 HG LEU 3 16.738 21.168 11.771 24 HD11 LEU 3 1HD1 LEU 3 15.349 22.892 10.998 25 HD12 LEU 3 2HD1 LEU 3 15.936 23.540 12.529 26 HD13 LEU 3 3HD1 LEU 3 14.322 22.836 12.430 27 HD21 LEU 3 1HD2 LEU 3 17.022 22.290 14.038 28 HD22 LEU 3 2HD2 LEU 3 16.985 20.526 14.075 29 HD23 LEU 3 3HD2 LEU 3 15.558 21.448 14.547 30 H LEU 4 H LEU 4 16.434 18.516 11.524 31 HA LEU 4 HA LEU 4 18.485 19.379 9.822 32 HB2 LEU 4 1HB LEU 4 19.608 17.243 10.426 33 HB3 LEU 4 2HB LEU 4 19.072 18.196 11.798 34 HG LEU 4 HG LEU 4 17.038 16.257 10.839 35 HD11 LEU 4 1HD1 LEU 4 19.407 15.137 10.594 36 HD12 LEU 4 2HD1 LEU 4 18.083 14.255 11.355 37 HD13 LEU 4 3HD1 LEU 4 19.314 15.030 12.353 38 HD21 LEU 4 1HD2 LEU 4 16.468 17.155 12.897 39 HD22 LEU 4 2HD2 LEU 4 18.142 17.263 13.433 40 HD23 LEU 4 3HD2 LEU 4 17.310 15.709 13.444 41 H GLU 5 H GLU 5 15.859 17.213 9.176 42 HA GLU 5 HA GLU 5 17.254 15.837 7.019 43 HB2 GLU 5 1HB GLU 5 14.393 15.667 7.953 44 HB3 GLU 5 2HB GLU 5 15.117 14.632 6.725 45 HG2 GLU 5 1HG GLU 5 16.074 14.875 9.591 46 HG3 GLU 5 2HG GLU 5 15.119 13.544 8.951 47 H GLY 6 H GLY 6 15.464 18.735 7.220 48 HA2 GLY 6 1HA GLY 6 14.417 18.535 4.506 49 HA3 GLY 6 2HA GLY 6 14.119 19.837 5.643 50 H GLU 7 H GLU 7 17.460 19.260 5.543 51 HA GLU 7 HA GLU 7 17.860 21.592 3.840 52 HB2 GLU 7 1HB GLU 7 20.190 21.476 4.568 53 HB3 GLU 7 2HB GLU 7 19.113 21.407 5.961 54 HG2 GLU 7 1HG GLU 7 19.328 18.914 5.945 55 HG3 GLU 7 2HG GLU 7 20.505 19.059 4.640 56 H ILE 8 H ILE 8 19.246 21.556 1.974 57 HA ILE 8 HA ILE 8 18.695 19.211 0.416 58 HB ILE 8 HB ILE 8 19.706 20.496 -1.454 59 HG12 ILE 8 1HG1 ILE 8 20.073 22.678 0.620 60 HG13 ILE 8 2HG1 ILE 8 21.393 21.688 -0.003 61 HG21 ILE 8 1HG2 ILE 8 17.333 20.771 -0.909 62 HG22 ILE 8 2HG2 ILE 8 18.015 22.311 -1.427 63 HG23 ILE 8 3HG2 ILE 8 17.734 22.005 0.286 64 HD11 ILE 8 1HD1 ILE 8 19.565 23.419 -1.691 65 HD12 ILE 8 2HD1 ILE 8 20.917 22.454 -2.285 66 HD13 ILE 8 3HD1 ILE 8 21.216 23.833 -1.226 67 HA PRO 9 HA PRO 9 22.762 17.348 1.003 68 HB2 PRO 9 1HB PRO 9 22.957 15.834 -1.274 69 HB3 PRO 9 2HB PRO 9 21.996 15.362 0.140 70 HG2 PRO 9 1HG PRO 9 21.111 16.585 -2.419 71 HG3 PRO 9 2HG PRO 9 20.338 15.326 -1.436 72 HD2 PRO 9 1HD PRO 9 19.508 17.920 -1.401 73 HD3 PRO 9 2HD PRO 9 19.365 16.844 0.005 74 H PHE 10 H PHE 10 24.898 17.731 0.359 75 HA PHE 10 HA PHE 10 25.585 19.872 -1.299 76 HB2 PHE 10 1HB PHE 10 27.202 17.408 -0.627 77 HB3 PHE 10 2HB PHE 10 27.854 18.878 -1.328 78 HD1 PHE 10 HD1 PHE 10 27.926 20.977 0.008 79 HD2 PHE 10 HD2 PHE 10 26.672 17.236 1.707 80 HE1 PHE 10 HE1 PHE 10 28.235 21.907 2.286 81 HE2 PHE 10 HE2 PHE 10 26.980 18.167 3.985 82 HZ PHE 10 HZ PHE 10 27.762 20.503 4.274 83 HA PRO 11 HA PRO 11 24.604 18.648 -5.264 84 HB2 PRO 11 1HB PRO 11 26.922 19.358 -6.752 85 HB3 PRO 11 2HB PRO 11 25.477 20.333 -6.455 86 HG2 PRO 11 1HG PRO 11 28.110 20.485 -5.216 87 HG3 PRO 11 2HG PRO 11 26.827 21.695 -5.309 88 HD2 PRO 11 1HD PRO 11 27.511 20.312 -3.011 89 HD3 PRO 11 2HD PRO 11 25.946 21.101 -3.289 90 HA PRO 12 HA PRO 12 27.832 15.105 -6.191 91 HB2 PRO 12 1HB PRO 12 28.953 14.895 -3.440 92 HB3 PRO 12 2HB PRO 12 29.741 14.616 -5.004 93 HG2 PRO 12 1HG PRO 12 30.239 16.787 -3.538 94 HG3 PRO 12 2HG PRO 12 30.229 16.825 -5.310 95 HD2 PRO 12 1HD PRO 12 28.191 17.875 -3.400 96 HD3 PRO 12 2HD PRO 12 28.651 18.474 -5.007 97 H THR 13 H THR 13 26.756 13.122 -5.951 98 HA THR 13 HA THR 13 25.264 12.710 -3.425 99 HB THR 13 HB THR 13 23.479 11.611 -4.817 100 HG1 THR 13 HG1 THR 13 24.597 13.048 -6.961 101 HG21 THR 13 1HG2 THR 13 23.368 13.961 -3.920 102 HG22 THR 13 2HG2 THR 13 22.422 13.710 -5.387 103 HG23 THR 13 3HG2 THR 13 23.984 14.525 -5.473 104 H SER 14 H SER 14 25.216 10.373 -6.075 105 HA SER 14 HA SER 14 25.991 8.261 -4.388 106 HB2 SER 14 1HB SER 14 26.220 8.393 -7.403 107 HB3 SER 14 2HB SER 14 26.185 6.934 -6.420 108 HG SER 14 HG SER 14 24.151 8.612 -7.212 109 H ILE 15 H ILE 15 27.895 10.383 -6.499 110 HA ILE 15 HA ILE 15 30.297 8.906 -6.451 111 HB ILE 15 HB ILE 15 29.953 11.916 -6.574 112 HG12 ILE 15 1HG1 ILE 15 30.210 9.903 -8.828 113 HG13 ILE 15 2HG1 ILE 15 28.676 10.598 -8.303 114 HG21 ILE 15 1HG2 ILE 15 32.135 11.877 -7.704 115 HG22 ILE 15 2HG2 ILE 15 32.217 10.125 -7.514 116 HG23 ILE 15 3HG2 ILE 15 32.273 11.170 -6.095 117 HD11 ILE 15 1HD1 ILE 15 29.668 12.883 -8.711 118 HD12 ILE 15 2HD1 ILE 15 29.462 11.912 -10.169 119 HD13 ILE 15 3HD1 ILE 15 31.059 12.082 -9.441 120 H LEU 16 H LEU 16 28.904 11.204 -4.116 121 HA LEU 16 HA LEU 16 31.170 11.439 -2.447 122 HB2 LEU 16 1HB LEU 16 29.080 12.815 -2.279 123 HB3 LEU 16 2HB LEU 16 28.272 11.416 -1.575 124 HG LEU 16 HG LEU 16 30.246 11.403 0.118 125 HD11 LEU 16 1HD1 LEU 16 31.378 13.241 -1.394 126 HD12 LEU 16 2HD1 LEU 16 31.522 13.338 0.359 127 HD13 LEU 16 3HD1 LEU 16 30.345 14.344 -0.485 128 HD21 LEU 16 1HD2 LEU 16 27.979 11.945 0.786 129 HD22 LEU 16 2HD2 LEU 16 28.109 13.554 0.076 130 HD23 LEU 16 3HD2 LEU 16 29.060 13.141 1.502 131 H LEU 17 H LEU 17 28.564 9.025 -2.555 132 HA LEU 17 HA LEU 17 29.352 7.527 -0.304 133 HB2 LEU 17 1HB LEU 17 27.229 7.201 -1.568 134 HB3 LEU 17 2HB LEU 17 28.156 6.455 -2.869 135 HG LEU 17 HG LEU 17 29.048 4.817 -1.140 136 HD11 LEU 17 1HD1 LEU 17 27.388 4.617 0.848 137 HD12 LEU 17 2HD1 LEU 17 26.981 6.293 0.483 138 HD13 LEU 17 3HD1 LEU 17 28.632 5.865 0.931 139 HD21 LEU 17 1HD2 LEU 17 27.137 3.389 -1.330 140 HD22 LEU 17 2HD2 LEU 17 27.120 4.411 -2.767 141 HD23 LEU 17 3HD2 LEU 17 26.034 4.762 -1.422 142 H LEU 18 H LEU 18 30.483 7.437 -3.661 143 HA LEU 18 HA LEU 18 32.154 5.182 -3.435 144 HB2 LEU 18 1HB LEU 18 32.592 7.646 -5.138 145 HB3 LEU 18 2HB LEU 18 33.347 6.072 -5.375 146 HG LEU 18 HG LEU 18 30.355 6.557 -5.430 147 HD11 LEU 18 1HD1 LEU 18 30.487 6.445 -7.817 148 HD12 LEU 18 2HD1 LEU 18 32.181 5.957 -7.768 149 HD13 LEU 18 3HD1 LEU 18 31.723 7.600 -7.319 150 HD21 LEU 18 1HD2 LEU 18 30.674 4.296 -4.863 151 HD22 LEU 18 2HD2 LEU 18 32.143 4.164 -5.831 152 HD23 LEU 18 3HD2 LEU 18 30.568 4.241 -6.623 153 H LEU 19 H LEU 19 32.722 8.583 -2.622 154 HA LEU 19 HA LEU 19 35.474 8.392 -2.075 155 HB2 LEU 19 1HB LEU 19 33.429 10.143 -0.695 156 HB3 LEU 19 2HB LEU 19 35.173 10.394 -0.702 157 HG LEU 19 HG LEU 19 33.426 10.346 -3.180 158 HD11 LEU 19 1HD1 LEU 19 33.436 12.683 -3.163 159 HD12 LEU 19 2HD1 LEU 19 34.838 12.769 -2.095 160 HD13 LEU 19 3HD1 LEU 19 33.262 12.314 -1.447 161 HD21 LEU 19 1HD2 LEU 19 36.371 10.717 -2.669 162 HD22 LEU 19 2HD2 LEU 19 35.613 11.494 -4.059 163 HD23 LEU 19 3HD2 LEU 19 35.576 9.738 -3.902 164 H ALA 20 H ALA 20 32.668 7.607 -0.078 165 HA ALA 20 HA ALA 20 34.042 7.202 2.351 166 HB1 ALA 20 1HB ALA 20 31.583 5.760 1.326 167 HB2 ALA 20 2HB ALA 20 31.585 7.294 2.195 168 HB3 ALA 20 3HB ALA 20 32.119 5.823 3.006 169 H CYS 21 H CYS 21 33.324 4.981 -0.319 170 HA CYS 21 HA CYS 21 34.420 2.665 0.856 171 HB2 CYS 21 1HB CYS 21 34.258 3.436 -2.066 172 HB3 CYS 21 2HB CYS 21 34.615 1.817 -1.465 173 HG CYS 21 HG CYS 21 32.222 1.635 -0.528 174 H ILE 22 H ILE 22 35.912 5.206 -1.125 175 HA ILE 22 HA ILE 22 38.458 4.027 -1.349 176 HB ILE 22 HB ILE 22 37.744 6.969 -1.251 177 HG12 ILE 22 1HG1 ILE 22 38.147 5.135 -3.630 178 HG13 ILE 22 2HG1 ILE 22 36.563 5.566 -2.986 179 HG21 ILE 22 1HG2 ILE 22 39.842 7.271 -2.515 180 HG22 ILE 22 2HG2 ILE 22 40.170 5.543 -2.390 181 HG23 ILE 22 3HG2 ILE 22 40.165 6.546 -0.940 182 HD11 ILE 22 1HD1 ILE 22 36.948 7.118 -4.745 183 HD12 ILE 22 2HD1 ILE 22 38.620 7.382 -4.250 184 HD13 ILE 22 3HD1 ILE 22 37.299 8.013 -3.266 185 H PHE 23 H PHE 23 37.003 5.945 1.262 186 HA PHE 23 HA PHE 23 39.350 6.420 2.736 187 HB2 PHE 23 1HB PHE 23 37.126 7.425 3.208 188 HB3 PHE 23 2HB PHE 23 36.588 5.874 3.825 189 HD1 PHE 23 HD1 PHE 23 37.399 5.024 5.973 190 HD2 PHE 23 HD2 PHE 23 38.699 8.818 4.436 191 HE1 PHE 23 HE1 PHE 23 38.294 5.623 8.207 192 HE2 PHE 23 HE2 PHE 23 39.594 9.417 6.670 193 HZ PHE 23 HZ PHE 23 39.392 7.819 8.555 194 H LEU 24 H LEU 24 37.170 3.620 2.691 195 HA LEU 24 HA LEU 24 38.481 2.123 4.699 196 HB2 LEU 24 1HB LEU 24 36.873 1.305 2.287 197 HB3 LEU 24 2HB LEU 24 37.570 0.116 3.387 198 HG LEU 24 HG LEU 24 36.437 1.467 5.271 199 HD11 LEU 24 1HD1 LEU 24 35.230 2.667 2.794 200 HD12 LEU 24 2HD1 LEU 24 35.742 3.467 4.279 201 HD13 LEU 24 3HD1 LEU 24 34.255 2.520 4.256 202 HD21 LEU 24 1HD2 LEU 24 34.811 -0.053 3.209 203 HD22 LEU 24 2HD2 LEU 24 34.259 0.306 4.845 204 HD23 LEU 24 3HD2 LEU 24 35.656 -0.742 4.595 205 H ILE 25 H ILE 25 39.122 2.417 1.219 206 HA ILE 25 HA ILE 25 41.268 0.587 1.119 207 HB ILE 25 HB ILE 25 41.044 3.140 -0.484 208 HG12 ILE 25 1HG1 ILE 25 38.952 1.864 -0.670 209 HG13 ILE 25 2HG1 ILE 25 39.869 1.760 -2.168 210 HG21 ILE 25 1HG2 ILE 25 42.512 0.529 -0.863 211 HG22 ILE 25 2HG2 ILE 25 43.193 2.155 -0.776 212 HG23 ILE 25 3HG2 ILE 25 42.240 1.671 -2.180 213 HD11 ILE 25 1HD1 ILE 25 40.738 -0.462 -1.458 214 HD12 ILE 25 2HD1 ILE 25 38.981 -0.444 -1.570 215 HD13 ILE 25 3HD1 ILE 25 39.761 -0.355 0.006 216 H LYS 26 H LYS 26 41.127 3.935 2.234 217 HA LYS 26 HA LYS 26 43.880 4.491 2.071 218 HB2 LYS 26 1HB LYS 26 42.092 6.189 2.418 219 HB3 LYS 26 2HB LYS 26 41.904 5.607 4.070 220 HG2 LYS 26 1HG LYS 26 43.364 7.474 4.236 221 HG3 LYS 26 2HG LYS 26 44.417 6.067 4.352 222 HD2 LYS 26 1HD LYS 26 44.998 6.261 1.985 223 HD3 LYS 26 2HD LYS 26 43.876 7.609 1.799 224 HE2 LYS 26 1HE LYS 26 45.199 9.049 3.116 225 HE3 LYS 26 2HE LYS 26 46.097 7.712 3.833 226 HZ1 LYS 26 1HZ LYS 26 46.201 8.184 0.928 227 HZ2 LYS 26 2HZ LYS 26 47.329 7.398 1.927 228 HZ3 LYS 26 3HZ LYS 26 47.185 9.091 1.972 229 H ILE 27 H ILE 27 41.941 3.108 4.728 230 HA ILE 27 HA ILE 27 44.140 2.951 6.516 231 HB ILE 27 HB ILE 27 42.854 1.252 7.771 232 HG12 ILE 27 1HG1 ILE 27 40.626 1.688 5.795 233 HG13 ILE 27 2HG1 ILE 27 41.746 0.337 5.605 234 HG21 ILE 27 1HG2 ILE 27 41.253 3.659 6.861 235 HG22 ILE 27 2HG2 ILE 27 42.522 3.688 8.086 236 HG23 ILE 27 3HG2 ILE 27 41.038 2.780 8.375 237 HD11 ILE 27 1HD1 ILE 27 41.220 -0.307 7.995 238 HD12 ILE 27 2HD1 ILE 27 39.868 -0.473 6.875 239 HD13 ILE 27 3HD1 ILE 27 39.942 0.908 7.969 240 H LEU 28 H LEU 28 42.991 0.703 4.033 241 HA LEU 28 HA LEU 28 44.840 -1.357 4.547 242 HB2 LEU 28 1HB LEU 28 43.819 -0.460 1.843 243 HB3 LEU 28 2HB LEU 28 44.525 -2.027 2.228 244 HG LEU 28 HG LEU 28 42.008 -0.915 3.504 245 HD11 LEU 28 1HD1 LEU 28 42.344 -3.095 1.420 246 HD12 LEU 28 2HD1 LEU 28 41.744 -1.470 1.088 247 HD13 LEU 28 3HD1 LEU 28 40.821 -2.554 2.129 248 HD21 LEU 28 1HD2 LEU 28 41.830 -3.429 4.126 249 HD22 LEU 28 2HD2 LEU 28 42.971 -2.440 5.037 250 HD23 LEU 28 3HD2 LEU 28 43.552 -3.498 3.751 251 H ALA 29 H ALA 29 45.235 1.709 2.865 252 HA ALA 29 HA ALA 29 47.764 1.229 1.725 253 HB1 ALA 29 1HB ALA 29 46.869 3.909 2.771 254 HB2 ALA 29 2HB ALA 29 46.172 3.195 1.316 255 HB3 ALA 29 3HB ALA 29 47.897 3.562 1.381 256 H ALA 30 H ALA 30 46.832 2.433 4.928 257 HA ALA 30 HA ALA 30 49.411 3.085 5.845 258 HB1 ALA 30 1HB ALA 30 47.220 3.603 6.997 259 HB2 ALA 30 2HB ALA 30 48.495 3.004 8.058 260 HB3 ALA 30 3HB ALA 30 47.196 1.927 7.546 261 H SER 31 H SER 31 47.625 0.017 5.917 262 HA SER 31 HA SER 31 49.579 -1.528 7.233 263 HB2 SER 31 1HB SER 31 47.716 -2.430 5.025 264 HB3 SER 31 2HB SER 31 48.518 -3.461 6.205 265 HG SER 31 HG SER 31 47.190 -2.752 7.738 266 H ALA 32 H ALA 32 49.293 -0.539 3.846 267 HA ALA 32 HA ALA 32 51.277 -2.253 2.794 268 HB1 ALA 32 1HB ALA 32 51.281 -0.832 0.873 269 HB2 ALA 32 2HB ALA 32 50.660 0.533 1.803 270 HB3 ALA 32 3HB ALA 32 49.625 -0.857 1.478 271 H LEU 33 H LEU 33 51.476 1.015 4.188 272 HA LEU 33 HA LEU 33 54.209 1.454 3.688 273 HB2 LEU 33 1HB LEU 33 52.606 3.182 4.503 274 HB3 LEU 33 2HB LEU 33 52.625 2.404 6.085 275 HG LEU 33 HG LEU 33 55.152 2.696 6.073 276 HD11 LEU 33 1HD1 LEU 33 55.634 3.051 3.772 277 HD12 LEU 33 2HD1 LEU 33 55.868 4.626 4.531 278 HD13 LEU 33 3HD1 LEU 33 54.391 4.294 3.624 279 HD21 LEU 33 1HD2 LEU 33 53.756 4.172 7.404 280 HD22 LEU 33 2HD2 LEU 33 53.347 5.131 5.981 281 HD23 LEU 33 3HD2 LEU 33 54.994 5.148 6.611 282 H TRP 34 H TRP 34 52.573 -0.255 6.343 283 HA TRP 34 HA TRP 34 54.849 -0.798 7.910 284 HB2 TRP 34 1HB TRP 34 52.478 -1.278 8.540 285 HB3 TRP 34 2HB TRP 34 52.511 -2.647 7.444 286 HD1 TRP 34 HD1 TRP 34 53.404 -4.860 8.363 287 HE1 TRP 34 HE1 TRP 34 54.499 -5.600 10.576 288 HE3 TRP 34 HE3 TRP 34 54.176 -0.302 10.533 289 HZ2 TRP 34 HZ2 TRP 34 55.564 -4.413 12.956 290 HZ3 TRP 34 HZ3 TRP 34 55.230 -0.136 12.766 291 HH2 TRP 34 HH2 TRP 34 55.923 -2.180 13.981 292 H ALA 35 H ALA 35 53.622 -2.392 5.003 293 HA ALA 35 HA ALA 35 55.437 -4.547 4.946 294 HB1 ALA 35 1HB ALA 35 54.773 -4.875 2.731 295 HB2 ALA 35 2HB ALA 35 54.548 -3.149 2.440 296 HB3 ALA 35 3HB ALA 35 53.388 -4.036 3.429 297 H ALA 36 H ALA 36 55.736 -1.221 3.780 298 HA ALA 36 HA ALA 36 58.170 -1.512 2.406 299 HB1 ALA 36 1HB ALA 36 57.588 1.005 3.915 300 HB2 ALA 36 2HB ALA 36 56.505 0.523 2.610 301 HB3 ALA 36 3HB ALA 36 58.215 0.798 2.280 302 H ALA 37 H ALA 37 57.503 -0.795 5.815 303 HA ALA 37 HA ALA 37 60.185 -0.479 6.635 304 HB1 ALA 37 1HB ALA 37 58.469 0.202 8.138 305 HB2 ALA 37 2HB ALA 37 59.281 -1.162 8.907 306 HB3 ALA 37 3HB ALA 37 57.722 -1.396 8.117 307 H TRP 38 H TRP 38 58.154 -3.359 6.367 308 HA TRP 38 HA TRP 38 59.845 -5.242 7.520 309 HB2 TRP 38 1HB TRP 38 57.514 -5.663 6.839 310 HB3 TRP 38 2HB TRP 38 58.011 -5.636 5.158 311 HD1 TRP 38 HD1 TRP 38 58.780 -7.846 4.141 312 HE1 TRP 38 HE1 TRP 38 59.270 -10.203 5.059 313 HE3 TRP 38 HE3 TRP 38 58.509 -6.915 9.155 314 HZ2 TRP 38 HZ2 TRP 38 59.516 -11.523 7.589 315 HZ3 TRP 38 HZ3 TRP 38 58.875 -8.734 10.793 316 HH2 TRP 38 HH2 TRP 38 59.378 -11.034 10.019 317 H HIS 39 H HIS 39 59.981 -3.868 4.256 318 HA HIS 39 HA HIS 39 62.220 -5.529 3.499 319 HB2 HIS 39 1HB HIS 39 61.141 -2.946 2.360 320 HB3 HIS 39 2HB HIS 39 62.476 -3.840 1.660 321 HD1 HIS 39 HD1 HIS 39 58.760 -3.880 2.067 322 HD2 HIS 39 HD2 HIS 39 61.711 -6.250 0.317 323 HE1 HIS 39 HE1 HIS 39 57.557 -5.547 0.589 324 H GLY 40 H GLY 40 62.027 -1.993 3.931 325 HA2 GLY 40 1HA GLY 40 64.157 -2.192 5.937 326 HA3 GLY 40 2HA GLY 40 64.379 -1.065 4.600 327 H GLN 41 H GLN 41 63.160 -1.348 7.730 328 HA GLN 41 HA GLN 41 61.340 0.686 7.940 329 HB2 GLN 41 1HB GLN 41 62.327 -0.572 9.854 330 HB3 GLN 41 2HB GLN 41 63.788 0.404 9.697 331 HG2 GLN 41 1HG GLN 41 62.494 2.449 10.094 332 HG3 GLN 41 2HG GLN 41 61.010 1.507 10.197 333 HE21 GLN 41 1HE2 GLN 41 61.578 3.037 12.400 334 HE22 GLN 41 2HE2 GLN 41 62.137 2.074 13.681 335 H LYS 42 H LYS 42 61.380 2.935 8.009 336 HA LYS 42 HA LYS 42 62.920 4.173 6.061 337 HB2 LYS 42 1HB LYS 42 60.706 4.896 7.287 338 HB3 LYS 42 2HB LYS 42 61.815 5.781 8.335 339 HG2 LYS 42 1HG LYS 42 62.543 7.177 6.621 340 HG3 LYS 42 2HG LYS 42 62.122 6.017 5.359 341 HD2 LYS 42 1HD LYS 42 60.412 7.579 5.122 342 HD3 LYS 42 2HD LYS 42 59.665 6.418 6.219 343 HE2 LYS 42 1HE LYS 42 61.245 8.696 7.365 344 HE3 LYS 42 2HE LYS 42 59.604 8.990 6.792 345 HZ1 LYS 42 1HZ LYS 42 59.823 6.611 8.373 346 HZ2 LYS 42 2HZ LYS 42 58.744 7.914 8.520 347 HZ3 LYS 42 3HZ LYS 42 60.286 8.000 9.230 348 HA PRO 43 HA PRO 43 66.834 4.952 8.093 349 HB2 PRO 43 1HB PRO 43 66.845 7.635 6.810 350 HB3 PRO 43 2HB PRO 43 68.049 6.336 6.724 351 HG2 PRO 43 1HG PRO 43 66.458 6.886 4.671 352 HG3 PRO 43 2HG PRO 43 66.931 5.221 5.060 353 HD2 PRO 43 1HD PRO 43 64.320 6.597 5.561 354 HD3 PRO 43 2HD PRO 43 64.638 4.907 5.108 355 H GLY 44 H GLY 44 67.570 5.959 9.956 356 HA2 GLY 44 1HA GLY 44 65.767 7.200 11.692 357 HA3 GLY 44 2HA GLY 44 67.520 7.248 11.865 358 H THR 45 H THR 45 65.415 9.336 12.301 359 HA THR 45 HA THR 45 65.415 11.278 10.292 360 HB THR 45 HB THR 45 64.815 12.867 12.057 361 HG1 THR 45 HG1 THR 45 66.129 12.331 13.713 362 HG21 THR 45 1HG2 THR 45 62.874 11.629 12.959 363 HG22 THR 45 2HG2 THR 45 63.610 10.111 12.441 364 HG23 THR 45 3HG2 THR 45 63.105 11.302 11.241 365 H HIS 46 H HIS 46 67.959 10.440 12.540 366 HA HIS 46 HA HIS 46 69.492 12.831 11.703 367 HB2 HIS 46 1HB HIS 46 69.958 10.982 14.045 368 HB3 HIS 46 2HB HIS 46 70.891 12.416 13.660 369 HD1 HIS 46 HD1 HIS 46 69.338 14.720 13.635 370 HD2 HIS 46 HD2 HIS 46 67.904 11.461 15.805 371 HE1 HIS 46 HE1 HIS 46 67.611 15.635 15.244 Start of MODEL 9 1 H ARG 1 3H ARG 1 45.793 17.952 -20.063 2 HA ARG 1 HA ARG 1 43.799 16.877 -19.921 3 HB2 ARG 1 1HB ARG 1 43.531 14.672 -18.892 4 HB3 ARG 1 2HB ARG 1 44.820 14.634 -20.093 5 HG2 ARG 1 1HG ARG 1 46.473 14.990 -18.225 6 HG3 ARG 1 2HG ARG 1 45.141 14.802 -17.084 7 HD2 ARG 1 1HD ARG 1 44.669 12.558 -18.077 8 HD3 ARG 1 2HD ARG 1 46.093 12.745 -19.096 9 HE ARG 1 HE ARG 1 47.367 12.147 -17.276 10 HH11 ARG 1 1HH1 ARG 1 44.310 13.371 -16.058 11 HH12 ARG 1 2HH1 ARG 1 44.722 13.042 -14.408 12 HH21 ARG 1 1HH2 ARG 1 47.840 11.746 -15.134 13 HH22 ARG 1 2HH2 ARG 1 46.694 12.132 -13.893 14 H SER 2 H SER 2 45.204 18.801 -18.155 15 HA SER 2 HA SER 2 44.661 18.390 -15.445 16 HB2 SER 2 1HB SER 2 46.026 20.252 -16.352 17 HB3 SER 2 2HB SER 2 44.554 21.010 -16.949 18 HG SER 2 HG SER 2 45.617 21.065 -14.490 19 H LEU 3 H LEU 3 42.458 19.188 -18.046 20 HA LEU 3 HA LEU 3 40.393 20.410 -16.620 21 HB2 LEU 3 1HB LEU 3 40.540 20.238 -19.095 22 HB3 LEU 3 2HB LEU 3 40.114 18.532 -18.973 23 HG LEU 3 HG LEU 3 38.003 19.219 -17.779 24 HD11 LEU 3 1HD1 LEU 3 37.388 21.689 -18.289 25 HD12 LEU 3 2HD1 LEU 3 39.127 21.932 -18.466 26 HD13 LEU 3 3HD1 LEU 3 38.466 21.372 -16.929 27 HD21 LEU 3 1HD2 LEU 3 37.708 18.683 -20.057 28 HD22 LEU 3 2HD2 LEU 3 38.617 20.094 -20.598 29 HD23 LEU 3 3HD2 LEU 3 37.000 20.292 -19.922 30 H LEU 4 H LEU 4 41.338 17.039 -16.674 31 HA LEU 4 HA LEU 4 38.910 15.828 -15.956 32 HB2 LEU 4 1HB LEU 4 40.972 14.623 -16.655 33 HB3 LEU 4 2HB LEU 4 41.685 15.000 -15.087 34 HG LEU 4 HG LEU 4 39.695 13.864 -14.013 35 HD11 LEU 4 1HD1 LEU 4 39.144 13.323 -16.921 36 HD12 LEU 4 2HD1 LEU 4 38.023 13.822 -15.654 37 HD13 LEU 4 3HD1 LEU 4 38.627 12.166 -15.695 38 HD21 LEU 4 1HD2 LEU 4 41.582 12.349 -15.829 39 HD22 LEU 4 2HD2 LEU 4 40.504 11.531 -14.699 40 HD23 LEU 4 3HD2 LEU 4 41.741 12.634 -14.096 41 H GLU 5 H GLU 5 41.164 17.681 -14.034 42 HA GLU 5 HA GLU 5 40.007 16.822 -11.506 43 HB2 GLU 5 1HB GLU 5 42.443 17.310 -11.809 44 HB3 GLU 5 2HB GLU 5 42.026 19.009 -12.020 45 HG2 GLU 5 1HG GLU 5 40.947 18.997 -9.779 46 HG3 GLU 5 2HG GLU 5 41.443 17.323 -9.569 47 H GLY 6 H GLY 6 39.407 19.343 -13.794 48 HA2 GLY 6 1HA GLY 6 38.229 21.119 -11.800 49 HA3 GLY 6 2HA GLY 6 38.463 21.475 -13.502 50 H GLU 7 H GLU 7 36.978 18.423 -13.177 51 HA GLU 7 HA GLU 7 34.450 19.567 -14.075 52 HB2 GLU 7 1HB GLU 7 35.355 16.690 -13.798 53 HB3 GLU 7 2HB GLU 7 33.822 17.210 -14.500 54 HG2 GLU 7 1HG GLU 7 36.565 18.001 -15.517 55 HG3 GLU 7 2HG GLU 7 35.530 16.779 -16.244 56 H ILE 8 H ILE 8 32.446 19.156 -13.074 57 HA ILE 8 HA ILE 8 32.633 19.236 -10.213 58 HB ILE 8 HB ILE 8 30.170 19.276 -11.971 59 HG12 ILE 8 1HG1 ILE 8 31.668 21.588 -10.702 60 HG13 ILE 8 2HG1 ILE 8 31.848 21.115 -12.393 61 HG21 ILE 8 1HG2 ILE 8 30.559 20.230 -9.119 62 HG22 ILE 8 2HG2 ILE 8 29.801 18.698 -9.554 63 HG23 ILE 8 3HG2 ILE 8 29.051 20.220 -10.034 64 HD11 ILE 8 1HD1 ILE 8 29.345 22.109 -11.012 65 HD12 ILE 8 2HD1 ILE 8 29.326 21.356 -12.608 66 HD13 ILE 8 3HD1 ILE 8 30.208 22.862 -12.354 67 HA PRO 9 HA PRO 9 31.526 14.855 -9.643 68 HB2 PRO 9 1HB PRO 9 30.379 15.592 -7.024 69 HB3 PRO 9 2HB PRO 9 31.726 14.503 -7.398 70 HG2 PRO 9 1HG PRO 9 32.076 16.892 -6.232 71 HG3 PRO 9 2HG PRO 9 33.275 16.167 -7.319 72 HD2 PRO 9 1HD PRO 9 31.314 18.362 -7.886 73 HD3 PRO 9 2HD PRO 9 32.990 18.168 -8.448 74 H PHE 10 H PHE 10 29.574 13.601 -9.709 75 HA PHE 10 HA PHE 10 27.443 14.811 -11.018 76 HB2 PHE 10 1HB PHE 10 27.519 12.234 -9.453 77 HB3 PHE 10 2HB PHE 10 26.185 12.711 -10.488 78 HD1 PHE 10 HD1 PHE 10 29.670 11.545 -10.368 79 HD2 PHE 10 HD2 PHE 10 26.422 12.715 -12.925 80 HE1 PHE 10 HE1 PHE 10 30.847 10.559 -12.316 81 HE2 PHE 10 HE2 PHE 10 27.599 11.728 -14.871 82 HZ PHE 10 HZ PHE 10 29.811 10.650 -14.567 83 HA PRO 11 HA PRO 11 25.314 17.058 -7.989 84 HB2 PRO 11 1HB PRO 11 22.680 16.046 -8.904 85 HB3 PRO 11 2HB PRO 11 23.300 17.704 -8.822 86 HG2 PRO 11 1HG PRO 11 23.023 16.388 -11.131 87 HG3 PRO 11 2HG PRO 11 24.311 17.573 -10.857 88 HD2 PRO 11 1HD PRO 11 24.487 14.597 -10.949 89 HD3 PRO 11 2HD PRO 11 25.682 15.826 -11.418 90 HA PRO 12 HA PRO 12 22.769 13.679 -5.528 91 HB2 PRO 12 1HB PRO 12 24.285 11.268 -6.402 92 HB3 PRO 12 2HB PRO 12 22.566 11.438 -5.995 93 HG2 PRO 12 1HG PRO 12 23.379 11.185 -8.513 94 HG3 PRO 12 2HG PRO 12 22.006 12.218 -8.074 95 HD2 PRO 12 1HD PRO 12 24.782 13.011 -8.843 96 HD3 PRO 12 2HD PRO 12 23.243 13.847 -9.147 97 H THR 13 H THR 13 23.530 13.687 -3.474 98 HA THR 13 HA THR 13 26.229 13.951 -2.745 99 HB THR 13 HB THR 13 24.001 12.800 -1.057 100 HG1 THR 13 HG1 THR 13 24.791 15.473 -1.577 101 HG21 THR 13 1HG2 THR 13 26.576 14.254 -0.395 102 HG22 THR 13 2HG2 THR 13 26.213 12.561 -0.056 103 HG23 THR 13 3HG2 THR 13 25.328 13.839 0.779 104 H SER 14 H SER 14 24.399 11.091 -3.550 105 HA SER 14 HA SER 14 25.649 9.228 -1.861 106 HB2 SER 14 1HB SER 14 24.503 8.758 -4.621 107 HB3 SER 14 2HB SER 14 24.793 7.533 -3.391 108 HG SER 14 HG SER 14 22.605 8.762 -3.681 109 H ILE 15 H ILE 15 26.626 10.524 -5.016 110 HA ILE 15 HA ILE 15 28.628 8.610 -5.573 111 HB ILE 15 HB ILE 15 29.587 10.272 -7.075 112 HG12 ILE 15 1HG1 ILE 15 28.059 12.527 -7.034 113 HG13 ILE 15 2HG1 ILE 15 28.049 12.140 -5.317 114 HG21 ILE 15 1HG2 ILE 15 27.765 10.360 -8.537 115 HG22 ILE 15 2HG2 ILE 15 26.608 10.647 -7.238 116 HG23 ILE 15 3HG2 ILE 15 27.317 9.045 -7.449 117 HD11 ILE 15 1HD1 ILE 15 29.979 13.374 -5.374 118 HD12 ILE 15 2HD1 ILE 15 30.304 12.988 -7.062 119 HD13 ILE 15 3HD1 ILE 15 30.681 11.814 -5.803 120 H LEU 16 H LEU 16 28.684 11.538 -3.564 121 HA LEU 16 HA LEU 16 31.440 11.524 -2.963 122 HB2 LEU 16 1HB LEU 16 29.125 12.333 -1.185 123 HB3 LEU 16 2HB LEU 16 30.816 12.773 -0.941 124 HG LEU 16 HG LEU 16 29.214 13.470 -3.420 125 HD11 LEU 16 1HD1 LEU 16 29.843 15.014 -0.897 126 HD12 LEU 16 2HD1 LEU 16 28.271 14.762 -1.658 127 HD13 LEU 16 3HD1 LEU 16 29.456 15.826 -2.414 128 HD21 LEU 16 1HD2 LEU 16 31.539 13.403 -3.958 129 HD22 LEU 16 2HD2 LEU 16 31.990 14.140 -2.420 130 HD23 LEU 16 3HD2 LEU 16 31.181 15.104 -3.655 131 H LEU 17 H LEU 17 28.723 9.721 -1.554 132 HA LEU 17 HA LEU 17 30.162 8.518 0.552 133 HB2 LEU 17 1HB LEU 17 27.906 7.266 -1.029 134 HB3 LEU 17 2HB LEU 17 28.449 6.795 0.577 135 HG LEU 17 HG LEU 17 27.366 9.537 -0.129 136 HD11 LEU 17 1HD1 LEU 17 25.336 8.870 0.984 137 HD12 LEU 17 2HD1 LEU 17 26.049 7.336 1.483 138 HD13 LEU 17 3HD1 LEU 17 25.697 7.632 -0.219 139 HD21 LEU 17 1HD2 LEU 17 28.793 9.785 1.745 140 HD22 LEU 17 2HD2 LEU 17 28.327 8.222 2.414 141 HD23 LEU 17 3HD2 LEU 17 27.195 9.574 2.458 142 H LEU 18 H LEU 18 29.919 7.651 -2.870 143 HA LEU 18 HA LEU 18 31.291 5.192 -2.739 144 HB2 LEU 18 1HB LEU 18 30.123 6.059 -4.765 145 HB3 LEU 18 2HB LEU 18 31.435 7.217 -4.983 146 HG LEU 18 HG LEU 18 33.036 5.256 -5.003 147 HD11 LEU 18 1HD1 LEU 18 31.861 3.062 -5.653 148 HD12 LEU 18 2HD1 LEU 18 30.393 3.791 -5.005 149 HD13 LEU 18 3HD1 LEU 18 31.784 3.528 -3.954 150 HD21 LEU 18 1HD2 LEU 18 30.874 5.284 -7.135 151 HD22 LEU 18 2HD2 LEU 18 32.506 4.645 -7.331 152 HD23 LEU 18 3HD2 LEU 18 32.261 6.372 -7.076 153 H LEU 19 H LEU 19 32.505 8.524 -2.928 154 HA LEU 19 HA LEU 19 35.248 7.903 -3.084 155 HB2 LEU 19 1HB LEU 19 34.019 10.235 -1.603 156 HB3 LEU 19 2HB LEU 19 35.677 10.112 -2.178 157 HG LEU 19 HG LEU 19 33.231 10.031 -3.968 158 HD11 LEU 19 1HD1 LEU 19 35.261 12.243 -3.534 159 HD12 LEU 19 2HD1 LEU 19 33.619 12.248 -2.891 160 HD13 LEU 19 3HD1 LEU 19 33.884 12.291 -4.635 161 HD21 LEU 19 1HD2 LEU 19 35.189 10.564 -5.652 162 HD22 LEU 19 2HD2 LEU 19 34.904 8.899 -5.149 163 HD23 LEU 19 3HD2 LEU 19 36.200 9.835 -4.405 164 H ALA 20 H ALA 20 33.057 7.958 -0.320 165 HA ALA 20 HA ALA 20 34.972 7.666 1.723 166 HB1 ALA 20 1HB ALA 20 32.320 6.256 1.817 167 HB2 ALA 20 2HB ALA 20 32.399 8.017 1.872 168 HB3 ALA 20 3HB ALA 20 33.197 7.060 3.119 169 H CYS 21 H CYS 21 33.387 5.251 -0.335 170 HA CYS 21 HA CYS 21 34.507 2.954 0.855 171 HB2 CYS 21 1HB CYS 21 33.790 3.460 -2.042 172 HB3 CYS 21 2HB CYS 21 34.139 1.875 -1.353 173 HG CYS 21 HG CYS 21 31.555 2.205 -1.213 174 H ILE 22 H ILE 22 35.753 5.122 -1.669 175 HA ILE 22 HA ILE 22 38.090 3.667 -2.263 176 HB ILE 22 HB ILE 22 37.673 6.667 -2.355 177 HG12 ILE 22 1HG1 ILE 22 37.357 4.564 -4.519 178 HG13 ILE 22 2HG1 ILE 22 36.014 5.274 -3.631 179 HG21 ILE 22 1HG2 ILE 22 40.050 6.039 -2.506 180 HG22 ILE 22 2HG2 ILE 22 39.462 6.581 -4.078 181 HG23 ILE 22 3HG2 ILE 22 39.669 4.859 -3.760 182 HD11 ILE 22 1HD1 ILE 22 36.058 7.163 -4.873 183 HD12 ILE 22 2HD1 ILE 22 37.064 6.252 -5.992 184 HD13 ILE 22 3HD1 ILE 22 37.814 7.300 -4.792 185 H PHE 23 H PHE 23 37.401 6.000 0.329 186 HA PHE 23 HA PHE 23 40.037 6.217 1.305 187 HB2 PHE 23 1HB PHE 23 37.365 6.472 2.645 188 HB3 PHE 23 2HB PHE 23 38.851 6.584 3.563 189 HD1 PHE 23 HD1 PHE 23 38.033 7.840 0.132 190 HD2 PHE 23 HD2 PHE 23 39.049 8.828 4.187 191 HE1 PHE 23 HE1 PHE 23 38.224 10.232 -0.498 192 HE2 PHE 23 HE2 PHE 23 39.242 11.218 3.558 193 HZ PHE 23 HZ PHE 23 38.829 11.921 1.215 194 H LEU 24 H LEU 24 37.563 3.736 1.847 195 HA LEU 24 HA LEU 24 38.934 2.260 3.818 196 HB2 LEU 24 1HB LEU 24 36.593 1.817 3.026 197 HB3 LEU 24 2HB LEU 24 37.276 1.101 1.567 198 HG LEU 24 HG LEU 24 38.659 -0.371 3.206 199 HD11 LEU 24 1HD1 LEU 24 37.925 -0.575 5.410 200 HD12 LEU 24 2HD1 LEU 24 36.334 0.096 5.050 201 HD13 LEU 24 3HD1 LEU 24 37.738 1.158 5.144 202 HD21 LEU 24 1HD2 LEU 24 35.685 -0.620 2.711 203 HD22 LEU 24 2HD2 LEU 24 36.617 -1.905 3.480 204 HD23 LEU 24 3HD2 LEU 24 37.003 -1.400 1.835 205 H ILE 25 H ILE 25 39.243 2.255 0.282 206 HA ILE 25 HA ILE 25 41.160 0.190 0.093 207 HB ILE 25 HB ILE 25 41.035 2.655 -1.653 208 HG12 ILE 25 1HG1 ILE 25 38.812 1.612 -1.537 209 HG13 ILE 25 2HG1 ILE 25 39.545 1.316 -3.109 210 HG21 ILE 25 1HG2 ILE 25 42.111 -0.142 -2.065 211 HG22 ILE 25 2HG2 ILE 25 43.035 1.360 -2.027 212 HG23 ILE 25 3HG2 ILE 25 41.922 1.043 -3.358 213 HD11 ILE 25 1HD1 ILE 25 40.246 -0.944 -2.334 214 HD12 ILE 25 2HD1 ILE 25 38.498 -0.733 -2.269 215 HD13 ILE 25 3HD1 ILE 25 39.450 -0.640 -0.789 216 H LYS 26 H LYS 26 41.522 3.638 0.835 217 HA LYS 26 HA LYS 26 44.335 3.737 0.778 218 HB2 LYS 26 1HB LYS 26 42.848 5.730 1.015 219 HB3 LYS 26 2HB LYS 26 42.544 5.254 2.686 220 HG2 LYS 26 1HG LYS 26 44.986 5.350 3.136 221 HG3 LYS 26 2HG LYS 26 45.246 5.916 1.486 222 HD2 LYS 26 1HD LYS 26 43.727 7.850 1.966 223 HD3 LYS 26 2HD LYS 26 43.647 7.317 3.647 224 HE2 LYS 26 1HE LYS 26 45.376 8.901 3.700 225 HE3 LYS 26 2HE LYS 26 46.252 7.379 3.540 226 HZ1 LYS 26 1HZ LYS 26 46.762 7.788 1.368 227 HZ2 LYS 26 2HZ LYS 26 46.756 9.378 1.965 228 HZ3 LYS 26 3HZ LYS 26 45.415 8.786 1.107 229 H ILE 27 H ILE 27 42.118 2.589 3.287 230 HA ILE 27 HA ILE 27 44.018 2.243 5.342 231 HB ILE 27 HB ILE 27 41.605 0.506 4.756 232 HG12 ILE 27 1HG1 ILE 27 41.859 2.943 6.547 233 HG13 ILE 27 2HG1 ILE 27 41.133 2.970 4.941 234 HG21 ILE 27 1HG2 ILE 27 43.060 1.050 7.363 235 HG22 ILE 27 2HG2 ILE 27 43.253 -0.418 6.405 236 HG23 ILE 27 3HG2 ILE 27 41.690 -0.037 7.128 237 HD11 ILE 27 1HD1 ILE 27 39.245 2.646 6.253 238 HD12 ILE 27 2HD1 ILE 27 40.118 1.700 7.458 239 HD13 ILE 27 3HD1 ILE 27 39.687 0.974 5.909 240 H LEU 28 H LEU 28 43.131 0.142 2.619 241 HA LEU 28 HA LEU 28 44.853 -2.007 3.240 242 HB2 LEU 28 1HB LEU 28 44.198 -0.976 0.471 243 HB3 LEU 28 2HB LEU 28 44.787 -2.582 0.882 244 HG LEU 28 HG LEU 28 42.174 -1.407 1.875 245 HD11 LEU 28 1HD1 LEU 28 42.558 -3.629 -0.141 246 HD12 LEU 28 2HD1 LEU 28 42.365 -1.944 -0.626 247 HD13 LEU 28 3HD1 LEU 28 41.072 -2.763 0.252 248 HD21 LEU 28 1HD2 LEU 28 41.839 -3.954 2.340 249 HD22 LEU 28 2HD2 LEU 28 42.839 -3.024 3.457 250 HD23 LEU 28 3HD2 LEU 28 43.597 -4.042 2.232 251 H ALA 29 H ALA 29 45.501 1.088 1.671 252 HA ALA 29 HA ALA 29 48.200 0.646 0.998 253 HB1 ALA 29 1HB ALA 29 46.617 2.648 0.461 254 HB2 ALA 29 2HB ALA 29 48.346 2.944 0.654 255 HB3 ALA 29 3HB ALA 29 47.236 3.313 1.973 256 H ALA 30 H ALA 30 46.698 1.633 4.041 257 HA ALA 30 HA ALA 30 49.021 2.406 5.415 258 HB1 ALA 30 1HB ALA 30 47.745 2.000 7.461 259 HB2 ALA 30 2HB ALA 30 46.562 1.056 6.555 260 HB3 ALA 30 3HB ALA 30 46.724 2.786 6.257 261 H SER 31 H SER 31 47.537 -0.785 4.991 262 HA SER 31 HA SER 31 49.316 -2.268 6.593 263 HB2 SER 31 1HB SER 31 48.052 -3.136 3.983 264 HB3 SER 31 2HB SER 31 48.687 -4.193 5.240 265 HG SER 31 HG SER 31 46.739 -4.046 6.029 266 H ALA 32 H ALA 32 49.638 -1.059 3.278 267 HA ALA 32 HA ALA 32 52.019 -2.426 2.610 268 HB1 ALA 32 1HB ALA 32 52.228 -0.890 0.817 269 HB2 ALA 32 2HB ALA 32 51.341 0.363 1.683 270 HB3 ALA 32 3HB ALA 32 50.491 -1.057 1.074 271 H LEU 33 H LEU 33 51.447 0.676 4.248 272 HA LEU 33 HA LEU 33 54.128 1.514 4.385 273 HB2 LEU 33 1HB LEU 33 51.928 2.025 6.401 274 HB3 LEU 33 2HB LEU 33 53.413 2.957 6.221 275 HG LEU 33 HG LEU 33 51.289 2.640 4.077 276 HD11 LEU 33 1HD1 LEU 33 50.892 5.073 4.550 277 HD12 LEU 33 2HD1 LEU 33 51.966 4.934 5.942 278 HD13 LEU 33 3HD1 LEU 33 50.458 4.021 5.897 279 HD21 LEU 33 1HD2 LEU 33 53.909 4.144 4.233 280 HD22 LEU 33 2HD2 LEU 33 52.635 4.620 3.112 281 HD23 LEU 33 3HD2 LEU 33 53.368 3.021 2.985 282 H TRP 34 H TRP 34 52.261 -0.648 6.500 283 HA TRP 34 HA TRP 34 54.243 -1.034 8.468 284 HB2 TRP 34 1HB TRP 34 51.905 -2.569 7.493 285 HB3 TRP 34 2HB TRP 34 53.104 -3.484 8.384 286 HD1 TRP 34 HD1 TRP 34 52.451 -3.688 10.803 287 HE1 TRP 34 HE1 TRP 34 51.306 -2.182 12.553 288 HE3 TRP 34 HE3 TRP 34 51.540 0.446 7.947 289 HZ2 TRP 34 HZ2 TRP 34 50.157 0.436 12.722 290 HZ3 TRP 34 HZ3 TRP 34 50.424 2.426 8.925 291 HH2 TRP 34 HH2 TRP 34 49.732 2.430 11.304 292 H ALA 35 H ALA 35 53.863 -2.473 5.257 293 HA ALA 35 HA ALA 35 55.997 -4.306 5.399 294 HB1 ALA 35 1HB ALA 35 55.465 -2.791 2.873 295 HB2 ALA 35 2HB ALA 35 54.213 -3.851 3.519 296 HB3 ALA 35 3HB ALA 35 55.794 -4.508 3.101 297 H ALA 36 H ALA 36 55.949 -0.851 4.652 298 HA ALA 36 HA ALA 36 58.605 -0.605 3.764 299 HB1 ALA 36 1HB ALA 36 56.620 1.122 3.830 300 HB2 ALA 36 2HB ALA 36 58.290 1.686 3.895 301 HB3 ALA 36 3HB ALA 36 57.337 1.577 5.375 302 H ALA 37 H ALA 37 57.227 -0.416 7.025 303 HA ALA 37 HA ALA 37 59.632 0.159 8.388 304 HB1 ALA 37 1HB ALA 37 58.384 -1.075 10.317 305 HB2 ALA 37 2HB ALA 37 57.033 -1.105 9.185 306 HB3 ALA 37 3HB ALA 37 57.726 0.435 9.691 307 H TRP 38 H TRP 38 58.147 -2.916 7.470 308 HA TRP 38 HA TRP 38 59.872 -4.674 8.761 309 HB2 TRP 38 1HB TRP 38 58.519 -5.020 6.090 310 HB3 TRP 38 2HB TRP 38 59.220 -6.308 7.043 311 HD1 TRP 38 HD1 TRP 38 57.738 -4.460 9.665 312 HE1 TRP 38 HE1 TRP 38 55.317 -5.184 10.162 313 HE3 TRP 38 HE3 TRP 38 56.685 -7.029 5.378 314 HZ2 TRP 38 HZ2 TRP 38 53.208 -6.659 8.909 315 HZ3 TRP 38 HZ3 TRP 38 54.468 -8.081 5.057 316 HH2 TRP 38 HH2 TRP 38 52.730 -7.902 6.813 317 H HIS 39 H HIS 39 60.376 -2.937 5.717 318 HA HIS 39 HA HIS 39 62.922 -4.216 5.243 319 HB2 HIS 39 1HB HIS 39 61.614 -3.182 3.417 320 HB3 HIS 39 2HB HIS 39 61.808 -1.613 4.175 321 HD1 HIS 39 HD1 HIS 39 64.120 -4.407 2.959 322 HD2 HIS 39 HD2 HIS 39 63.917 -0.244 3.066 323 HE1 HIS 39 HE1 HIS 39 66.184 -3.559 1.765 324 H GLY 40 H GLY 40 62.161 -0.800 5.942 325 HA2 GLY 40 1HA GLY 40 63.910 -0.971 8.291 326 HA3 GLY 40 2HA GLY 40 64.208 0.322 7.130 327 H GLN 41 H GLN 41 62.502 -0.468 9.928 328 HA GLN 41 HA GLN 41 60.415 1.305 9.964 329 HB2 GLN 41 1HB GLN 41 62.529 0.922 12.097 330 HB3 GLN 41 2HB GLN 41 60.983 1.731 12.352 331 HG2 GLN 41 1HG GLN 41 59.777 -0.303 11.736 332 HG3 GLN 41 2HG GLN 41 61.296 -1.122 11.379 333 HE21 GLN 41 1HE2 GLN 41 59.465 -2.126 13.347 334 HE22 GLN 41 2HE2 GLN 41 60.202 -1.996 14.870 335 H LYS 42 H LYS 42 60.145 3.528 10.282 336 HA LYS 42 HA LYS 42 61.833 5.154 8.793 337 HB2 LYS 42 1HB LYS 42 59.660 5.722 10.781 338 HB3 LYS 42 2HB LYS 42 60.594 7.049 10.090 339 HG2 LYS 42 1HG LYS 42 58.819 6.858 8.577 340 HG3 LYS 42 2HG LYS 42 60.073 5.887 7.804 341 HD2 LYS 42 1HD LYS 42 59.108 3.840 8.658 342 HD3 LYS 42 2HD LYS 42 57.951 4.741 9.639 343 HE2 LYS 42 1HE LYS 42 57.118 5.766 7.442 344 HE3 LYS 42 2HE LYS 42 58.054 4.512 6.628 345 HZ1 LYS 42 1HZ LYS 42 55.910 4.063 8.633 346 HZ2 LYS 42 2HZ LYS 42 56.834 2.844 7.893 347 HZ3 LYS 42 3HZ LYS 42 55.783 3.800 6.962 348 HA PRO 43 HA PRO 43 65.226 6.047 11.511 349 HB2 PRO 43 1HB PRO 43 65.720 8.715 10.926 350 HB3 PRO 43 2HB PRO 43 66.299 7.339 9.971 351 HG2 PRO 43 1HG PRO 43 63.962 9.110 9.500 352 HG3 PRO 43 2HG PRO 43 65.110 8.413 8.340 353 HD2 PRO 43 1HD PRO 43 62.636 7.379 8.661 354 HD3 PRO 43 2HD PRO 43 64.039 6.348 8.301 355 H GLY 44 H GLY 44 62.328 7.974 11.630 356 HA2 GLY 44 1HA GLY 44 62.895 9.769 13.679 357 HA3 GLY 44 2HA GLY 44 61.297 9.129 13.327 358 H THR 45 H THR 45 62.293 6.320 13.904 359 HA THR 45 HA THR 45 61.456 6.107 16.560 360 HB THR 45 HB THR 45 61.487 4.191 15.043 361 HG1 THR 45 HG1 THR 45 61.860 4.038 17.427 362 HG21 THR 45 1HG2 THR 45 64.498 4.193 15.334 363 HG22 THR 45 2HG2 THR 45 63.671 4.893 13.942 364 HG23 THR 45 3HG2 THR 45 63.516 3.170 14.285 365 H HIS 46 H HIS 46 62.519 5.922 18.516 366 HA HIS 46 HA HIS 46 65.301 6.928 18.549 367 HB2 HIS 46 1HB HIS 46 63.216 6.971 20.733 368 HB3 HIS 46 2HB HIS 46 64.827 7.657 20.830 369 HD1 HIS 46 HD1 HIS 46 65.271 9.611 18.906 370 HD2 HIS 46 HD2 HIS 46 61.314 8.777 19.919 371 HE1 HIS 46 HE1 HIS 46 63.904 11.597 18.138 Start of MODEL 10 1 H ARG 1 3H ARG 1 22.247 15.857 19.661 2 HA ARG 1 HA ARG 1 20.959 18.008 20.457 3 HB2 ARG 1 1HB ARG 1 22.657 18.857 18.090 4 HB3 ARG 1 2HB ARG 1 21.269 19.757 18.703 5 HG2 ARG 1 1HG ARG 1 22.397 19.896 20.929 6 HG3 ARG 1 2HG ARG 1 23.815 19.122 20.221 7 HD2 ARG 1 1HD ARG 1 22.597 21.757 19.348 8 HD3 ARG 1 2HD ARG 1 24.109 21.552 20.226 9 HE ARG 1 HE ARG 1 24.598 20.085 18.049 10 HH11 ARG 1 1HH1 ARG 1 23.165 23.283 18.282 11 HH12 ARG 1 2HH1 ARG 1 23.743 23.762 16.722 12 HH21 ARG 1 1HH2 ARG 1 25.315 20.761 16.049 13 HH22 ARG 1 2HH2 ARG 1 24.944 22.353 15.474 14 H SER 2 H SER 2 18.954 17.687 19.676 15 HA SER 2 HA SER 2 18.334 15.678 17.835 16 HB2 SER 2 1HB SER 2 16.759 16.599 19.516 17 HB3 SER 2 2HB SER 2 16.636 18.072 18.560 18 HG SER 2 HG SER 2 15.083 16.965 17.632 19 H LEU 3 H LEU 3 19.147 19.031 17.255 20 HA LEU 3 HA LEU 3 17.930 19.446 14.776 21 HB2 LEU 3 1HB LEU 3 19.141 21.117 16.238 22 HB3 LEU 3 2HB LEU 3 20.644 20.505 15.558 23 HG LEU 3 HG LEU 3 18.513 21.234 13.592 24 HD11 LEU 3 1HD1 LEU 3 18.230 23.153 14.949 25 HD12 LEU 3 2HD1 LEU 3 19.375 23.651 13.704 26 HD13 LEU 3 3HD1 LEU 3 19.951 23.247 15.321 27 HD21 LEU 3 1HD2 LEU 3 21.010 20.440 13.224 28 HD22 LEU 3 2HD2 LEU 3 21.381 22.133 13.529 29 HD23 LEU 3 3HD2 LEU 3 20.319 21.690 12.194 30 H LEU 4 H LEU 4 20.708 17.473 15.550 31 HA LEU 4 HA LEU 4 22.048 17.474 13.087 32 HB2 LEU 4 1HB LEU 4 22.902 16.472 15.200 33 HB3 LEU 4 2HB LEU 4 21.750 15.152 15.002 34 HG LEU 4 HG LEU 4 22.779 14.722 12.728 35 HD11 LEU 4 1HD1 LEU 4 25.182 15.645 12.583 36 HD12 LEU 4 2HD1 LEU 4 24.673 16.820 13.795 37 HD13 LEU 4 3HD1 LEU 4 23.871 16.769 12.225 38 HD21 LEU 4 1HD2 LEU 4 23.404 13.234 14.475 39 HD22 LEU 4 2HD2 LEU 4 24.373 14.466 15.283 40 HD23 LEU 4 3HD2 LEU 4 24.931 13.761 13.766 41 H GLU 5 H GLU 5 19.083 15.883 14.046 42 HA GLU 5 HA GLU 5 19.060 14.131 11.718 43 HB2 GLU 5 1HB GLU 5 18.174 13.456 13.957 44 HB3 GLU 5 2HB GLU 5 16.881 14.636 13.751 45 HG2 GLU 5 1HG GLU 5 16.032 12.489 13.068 46 HG3 GLU 5 2HG GLU 5 16.243 13.456 11.618 47 H GLY 6 H GLY 6 17.910 17.316 12.490 48 HA2 GLY 6 1HA GLY 6 15.906 17.279 10.370 49 HA3 GLY 6 2HA GLY 6 16.213 18.593 11.491 50 H GLU 7 H GLU 7 19.195 17.650 10.192 51 HA GLU 7 HA GLU 7 19.205 20.027 8.502 52 HB2 GLU 7 1HB GLU 7 21.065 19.519 10.112 53 HB3 GLU 7 2HB GLU 7 21.472 18.118 9.120 54 HG2 GLU 7 1HG GLU 7 21.764 19.627 7.162 55 HG3 GLU 7 2HG GLU 7 21.443 21.007 8.202 56 H ILE 8 H ILE 8 19.725 20.005 6.289 57 HA ILE 8 HA ILE 8 18.729 17.684 4.923 58 HB ILE 8 HB ILE 8 19.054 19.041 2.869 59 HG12 ILE 8 1HG1 ILE 8 20.052 21.179 4.776 60 HG13 ILE 8 2HG1 ILE 8 21.108 20.234 3.724 61 HG21 ILE 8 1HG2 ILE 8 17.753 20.504 5.186 62 HG22 ILE 8 2HG2 ILE 8 16.993 19.246 4.213 63 HG23 ILE 8 3HG2 ILE 8 17.424 20.790 3.477 64 HD11 ILE 8 1HD1 ILE 8 20.506 22.408 2.700 65 HD12 ILE 8 2HD1 ILE 8 18.802 21.959 2.777 66 HD13 ILE 8 3HD1 ILE 8 19.908 21.049 1.749 67 HA PRO 9 HA PRO 9 22.810 15.931 4.092 68 HB2 PRO 9 1HB PRO 9 22.278 14.491 1.819 69 HB3 PRO 9 2HB PRO 9 21.850 13.941 3.451 70 HG2 PRO 9 1HG PRO 9 20.139 15.206 1.378 71 HG3 PRO 9 2HG PRO 9 19.764 13.891 2.508 72 HD2 PRO 9 1HD PRO 9 18.925 16.448 2.921 73 HD3 PRO 9 2HD PRO 9 19.290 15.330 4.253 74 H PHE 10 H PHE 10 24.600 16.408 2.777 75 HA PHE 10 HA PHE 10 24.612 18.728 1.234 76 HB2 PHE 10 1HB PHE 10 26.484 16.363 1.054 77 HB3 PHE 10 2HB PHE 10 26.801 17.958 0.398 78 HD1 PHE 10 HD1 PHE 10 26.564 15.920 3.447 79 HD2 PHE 10 HD2 PHE 10 27.347 19.838 1.869 80 HE1 PHE 10 HE1 PHE 10 27.530 16.605 5.627 81 HE2 PHE 10 HE2 PHE 10 28.312 20.523 4.049 82 HZ PHE 10 HZ PHE 10 28.403 18.906 5.927 83 HA PRO 11 HA PRO 11 22.536 17.714 -2.439 84 HB2 PRO 11 1HB PRO 11 24.694 18.895 -4.106 85 HB3 PRO 11 2HB PRO 11 22.971 19.304 -4.020 86 HG2 PRO 11 1HG PRO 11 24.858 20.861 -2.950 87 HG3 PRO 11 2HG PRO 11 23.247 20.691 -2.231 88 HD2 PRO 11 1HD PRO 11 25.841 19.545 -1.312 89 HD3 PRO 11 2HD PRO 11 24.421 20.049 -0.368 90 HA PRO 12 HA PRO 12 25.774 14.720 -4.572 91 HB2 PRO 12 1HB PRO 12 27.624 14.503 -2.243 92 HB3 PRO 12 2HB PRO 12 27.980 14.415 -3.980 93 HG2 PRO 12 1HG PRO 12 28.609 16.557 -2.529 94 HG3 PRO 12 2HG PRO 12 28.082 16.689 -4.216 95 HD2 PRO 12 1HD PRO 12 26.571 17.332 -1.723 96 HD3 PRO 12 2HD PRO 12 26.470 18.080 -3.332 97 H THR 13 H THR 13 25.099 12.577 -4.261 98 HA THR 13 HA THR 13 24.354 11.800 -1.500 99 HB THR 13 HB THR 13 22.800 11.151 -4.014 100 HG1 THR 13 HG1 THR 13 22.471 13.264 -3.408 101 HG21 THR 13 1HG2 THR 13 22.260 10.559 -1.090 102 HG22 THR 13 2HG2 THR 13 22.723 9.371 -2.309 103 HG23 THR 13 3HG2 THR 13 21.169 10.198 -2.428 104 H SER 14 H SER 14 23.998 9.641 -4.286 105 HA SER 14 HA SER 14 25.401 7.577 -2.986 106 HB2 SER 14 1HB SER 14 25.240 6.373 -5.082 107 HB3 SER 14 2HB SER 14 23.740 7.255 -4.816 108 HG SER 14 HG SER 14 24.236 7.864 -6.813 109 H ILE 15 H ILE 15 26.486 10.055 -5.280 110 HA ILE 15 HA ILE 15 29.001 8.918 -5.861 111 HB ILE 15 HB ILE 15 27.795 10.853 -6.980 112 HG12 ILE 15 1HG1 ILE 15 30.041 10.125 -7.626 113 HG13 ILE 15 2HG1 ILE 15 29.845 11.861 -7.797 114 HG21 ILE 15 1HG2 ILE 15 27.449 12.227 -4.958 115 HG22 ILE 15 2HG2 ILE 15 28.259 13.108 -6.253 116 HG23 ILE 15 3HG2 ILE 15 29.188 12.511 -4.878 117 HD11 ILE 15 1HD1 ILE 15 31.654 10.328 -6.047 118 HD12 ILE 15 2HD1 ILE 15 30.868 11.685 -5.247 119 HD13 ILE 15 3HD1 ILE 15 31.828 11.954 -6.698 120 H LEU 16 H LEU 16 27.898 10.890 -3.118 121 HA LEU 16 HA LEU 16 30.420 11.286 -1.917 122 HB2 LEU 16 1HB LEU 16 27.969 12.127 -1.300 123 HB3 LEU 16 2HB LEU 16 28.016 10.741 -0.221 124 HG LEU 16 HG LEU 16 28.751 12.703 0.990 125 HD11 LEU 16 1HD1 LEU 16 31.351 11.328 0.402 126 HD12 LEU 16 2HD1 LEU 16 30.037 10.428 1.159 127 HD13 LEU 16 3HD1 LEU 16 30.694 11.860 1.949 128 HD21 LEU 16 1HD2 LEU 16 31.090 13.069 -0.854 129 HD22 LEU 16 2HD2 LEU 16 30.350 14.227 0.250 130 HD23 LEU 16 3HD2 LEU 16 29.537 13.800 -1.257 131 H LEU 17 H LEU 17 28.149 8.561 -1.777 132 HA LEU 17 HA LEU 17 29.509 7.025 0.149 133 HB2 LEU 17 1HB LEU 17 27.238 6.559 -0.833 134 HB3 LEU 17 2HB LEU 17 28.051 5.934 -2.265 135 HG LEU 17 HG LEU 17 28.901 4.875 0.409 136 HD11 LEU 17 1HD1 LEU 17 26.476 4.752 0.582 137 HD12 LEU 17 2HD1 LEU 17 27.107 3.138 0.254 138 HD13 LEU 17 3HD1 LEU 17 26.362 4.073 -1.042 139 HD21 LEU 17 1HD2 LEU 17 28.810 3.966 -2.452 140 HD22 LEU 17 2HD2 LEU 17 28.841 2.749 -1.176 141 HD23 LEU 17 3HD2 LEU 17 30.152 3.918 -1.311 142 H LEU 18 H LEU 18 30.027 7.343 -3.342 143 HA LEU 18 HA LEU 18 32.009 5.357 -3.617 144 HB2 LEU 18 1HB LEU 18 30.916 6.566 -5.507 145 HB3 LEU 18 2HB LEU 18 31.875 7.990 -5.103 146 HG LEU 18 HG LEU 18 33.941 6.526 -5.337 147 HD11 LEU 18 1HD1 LEU 18 33.442 4.513 -6.903 148 HD12 LEU 18 2HD1 LEU 18 31.792 4.641 -6.294 149 HD13 LEU 18 3HD1 LEU 18 33.121 4.321 -5.179 150 HD21 LEU 18 1HD2 LEU 18 32.085 7.157 -7.630 151 HD22 LEU 18 2HD2 LEU 18 33.672 6.444 -7.919 152 HD23 LEU 18 3HD2 LEU 18 33.541 8.014 -7.127 153 H LEU 19 H LEU 19 32.239 8.742 -2.591 154 HA LEU 19 HA LEU 19 35.041 8.902 -2.392 155 HB2 LEU 19 1HB LEU 19 33.368 10.779 -2.154 156 HB3 LEU 19 2HB LEU 19 33.078 10.218 -0.510 157 HG LEU 19 HG LEU 19 35.920 10.671 -1.354 158 HD11 LEU 19 1HD1 LEU 19 34.667 12.679 -2.151 159 HD12 LEU 19 2HD1 LEU 19 35.787 13.050 -0.840 160 HD13 LEU 19 3HD1 LEU 19 34.059 12.913 -0.512 161 HD21 LEU 19 1HD2 LEU 19 34.277 10.724 1.158 162 HD22 LEU 19 2HD2 LEU 19 35.775 11.654 1.107 163 HD23 LEU 19 3HD2 LEU 19 35.810 9.913 0.847 164 H ALA 20 H ALA 20 32.639 7.576 -0.162 165 HA ALA 20 HA ALA 20 34.347 7.143 2.034 166 HB1 ALA 20 1HB ALA 20 31.777 6.875 1.860 167 HB2 ALA 20 2HB ALA 20 32.661 5.763 2.905 168 HB3 ALA 20 3HB ALA 20 32.135 5.240 1.306 169 H CYS 21 H CYS 21 33.622 5.123 -0.789 170 HA CYS 21 HA CYS 21 35.087 2.854 0.006 171 HB2 CYS 21 1HB CYS 21 34.571 3.927 -2.777 172 HB3 CYS 21 2HB CYS 21 35.183 2.313 -2.415 173 HG CYS 21 HG CYS 21 32.360 3.283 -1.464 174 H ILE 22 H ILE 22 36.083 5.778 -1.746 175 HA ILE 22 HA ILE 22 38.732 4.987 -2.288 176 HB ILE 22 HB ILE 22 37.693 7.778 -1.730 177 HG12 ILE 22 1HG1 ILE 22 38.041 6.320 -4.367 178 HG13 ILE 22 2HG1 ILE 22 36.494 6.501 -3.540 179 HG21 ILE 22 1HG2 ILE 22 39.615 8.509 -3.073 180 HG22 ILE 22 2HG2 ILE 22 40.127 6.834 -3.282 181 HG23 ILE 22 3HG2 ILE 22 40.173 7.578 -1.683 182 HD11 ILE 22 1HD1 ILE 22 36.584 8.285 -5.123 183 HD12 ILE 22 2HD1 ILE 22 38.248 8.678 -4.691 184 HD13 ILE 22 3HD1 ILE 22 36.939 9.020 -3.560 185 H PHE 23 H PHE 23 37.285 6.450 0.612 186 HA PHE 23 HA PHE 23 39.674 6.844 2.050 187 HB2 PHE 23 1HB PHE 23 37.418 7.643 2.740 188 HB3 PHE 23 2HB PHE 23 37.001 5.994 3.164 189 HD1 PHE 23 HD1 PHE 23 37.965 4.920 5.142 190 HD2 PHE 23 HD2 PHE 23 38.970 8.957 4.077 191 HE1 PHE 23 HE1 PHE 23 38.935 5.273 7.397 192 HE2 PHE 23 HE2 PHE 23 39.940 9.311 6.332 193 HZ PHE 23 HZ PHE 23 39.922 7.470 7.992 194 H LEU 24 H LEU 24 37.708 3.942 1.566 195 HA LEU 24 HA LEU 24 38.920 2.363 3.568 196 HB2 LEU 24 1HB LEU 24 37.672 1.467 0.962 197 HB3 LEU 24 2HB LEU 24 37.977 0.447 2.367 198 HG LEU 24 HG LEU 24 36.193 2.900 2.375 199 HD11 LEU 24 1HD1 LEU 24 35.370 0.909 1.024 200 HD12 LEU 24 2HD1 LEU 24 34.327 1.385 2.365 201 HD13 LEU 24 3HD1 LEU 24 35.387 -0.016 2.526 202 HD21 LEU 24 1HD2 LEU 24 36.980 0.837 4.431 203 HD22 LEU 24 2HD2 LEU 24 35.444 1.694 4.558 204 HD23 LEU 24 3HD2 LEU 24 36.961 2.594 4.586 205 H ILE 25 H ILE 25 39.702 2.732 0.106 206 HA ILE 25 HA ILE 25 41.859 0.893 0.209 207 HB ILE 25 HB ILE 25 42.677 1.867 -1.876 208 HG12 ILE 25 1HG1 ILE 25 40.380 3.809 -1.744 209 HG13 ILE 25 2HG1 ILE 25 41.997 4.266 -1.200 210 HG21 ILE 25 1HG2 ILE 25 39.664 1.563 -1.757 211 HG22 ILE 25 2HG2 ILE 25 40.825 0.242 -1.893 212 HG23 ILE 25 3HG2 ILE 25 40.658 1.407 -3.205 213 HD11 ILE 25 1HD1 ILE 25 42.829 3.444 -3.476 214 HD12 ILE 25 2HD1 ILE 25 41.879 4.930 -3.489 215 HD13 ILE 25 3HD1 ILE 25 41.136 3.404 -3.967 216 H LYS 26 H LYS 26 41.679 4.308 1.065 217 HA LYS 26 HA LYS 26 44.445 4.834 0.999 218 HB2 LYS 26 1HB LYS 26 42.660 6.559 1.195 219 HB3 LYS 26 2HB LYS 26 42.397 6.051 2.864 220 HG2 LYS 26 1HG LYS 26 44.785 6.558 3.362 221 HG3 LYS 26 2HG LYS 26 44.977 7.155 1.713 222 HD2 LYS 26 1HD LYS 26 43.132 8.795 2.153 223 HD3 LYS 26 2HD LYS 26 43.124 8.269 3.836 224 HE2 LYS 26 1HE LYS 26 44.563 10.097 3.945 225 HE3 LYS 26 2HE LYS 26 45.707 8.778 3.701 226 HZ1 LYS 26 1HZ LYS 26 45.401 9.255 1.239 227 HZ2 LYS 26 2HZ LYS 26 46.305 10.377 2.140 228 HZ3 LYS 26 3HZ LYS 26 44.696 10.722 1.719 229 H ILE 27 H ILE 27 42.376 3.609 3.637 230 HA ILE 27 HA ILE 27 44.495 3.488 5.519 231 HB ILE 27 HB ILE 27 43.110 1.930 6.822 232 HG12 ILE 27 1HG1 ILE 27 41.001 2.221 4.693 233 HG13 ILE 27 2HG1 ILE 27 42.108 0.845 4.691 234 HG21 ILE 27 1HG2 ILE 27 41.356 4.120 5.724 235 HG22 ILE 27 2HG2 ILE 27 42.798 4.492 6.670 236 HG23 ILE 27 3HG2 ILE 27 41.491 3.548 7.386 237 HD11 ILE 27 1HD1 ILE 27 40.030 1.598 6.733 238 HD12 ILE 27 2HD1 ILE 27 41.410 0.602 7.195 239 HD13 ILE 27 3HD1 ILE 27 40.297 0.042 5.947 240 H LEU 28 H LEU 28 43.420 1.176 3.071 241 HA LEU 28 HA LEU 28 45.090 -0.958 3.806 242 HB2 LEU 28 1HB LEU 28 43.327 -1.052 2.050 243 HB3 LEU 28 2HB LEU 28 44.374 -0.107 0.993 244 HG LEU 28 HG LEU 28 46.143 -1.898 1.320 245 HD11 LEU 28 1HD1 LEU 28 43.778 -3.206 2.674 246 HD12 LEU 28 2HD1 LEU 28 45.417 -3.006 3.298 247 HD13 LEU 28 3HD1 LEU 28 45.103 -4.150 1.993 248 HD21 LEU 28 1HD2 LEU 28 44.993 -1.922 -0.755 249 HD22 LEU 28 2HD2 LEU 28 43.486 -2.453 -0.007 250 HD23 LEU 28 3HD2 LEU 28 44.842 -3.573 -0.153 251 H ALA 29 H ALA 29 45.800 1.995 2.015 252 HA ALA 29 HA ALA 29 48.381 1.285 1.123 253 HB1 ALA 29 1HB ALA 29 46.963 3.295 0.428 254 HB2 ALA 29 2HB ALA 29 48.692 3.578 0.632 255 HB3 ALA 29 3HB ALA 29 47.561 4.083 1.888 256 H ALA 30 H ALA 30 47.285 2.856 4.113 257 HA ALA 30 HA ALA 30 49.838 3.424 5.159 258 HB1 ALA 30 1HB ALA 30 47.380 2.692 6.761 259 HB2 ALA 30 2HB ALA 30 47.658 4.284 6.059 260 HB3 ALA 30 3HB ALA 30 48.750 3.663 7.296 261 H SER 31 H SER 31 47.785 0.548 5.471 262 HA SER 31 HA SER 31 49.461 -0.928 7.184 263 HB2 SER 31 1HB SER 31 47.696 -2.005 4.974 264 HB3 SER 31 2HB SER 31 48.290 -2.897 6.371 265 HG SER 31 HG SER 31 47.192 -1.193 7.630 266 H ALA 32 H ALA 32 49.564 -0.445 3.681 267 HA ALA 32 HA ALA 32 51.367 -2.541 3.085 268 HB1 ALA 32 1HB ALA 32 50.089 -1.416 1.338 269 HB2 ALA 32 2HB ALA 32 51.815 -1.272 1.005 270 HB3 ALA 32 3HB ALA 32 50.927 0.099 1.671 271 H LEU 33 H LEU 33 51.906 0.896 3.868 272 HA LEU 33 HA LEU 33 54.703 0.881 3.533 273 HB2 LEU 33 1HB LEU 33 53.072 2.508 5.498 274 HB3 LEU 33 2HB LEU 33 54.712 2.869 4.963 275 HG LEU 33 HG LEU 33 52.302 2.695 3.131 276 HD11 LEU 33 1HD1 LEU 33 52.282 5.076 3.095 277 HD12 LEU 33 2HD1 LEU 33 53.835 5.178 3.923 278 HD13 LEU 33 3HD1 LEU 33 52.401 4.645 4.801 279 HD21 LEU 33 1HD2 LEU 33 54.172 2.230 1.790 280 HD22 LEU 33 2HD2 LEU 33 55.234 3.267 2.744 281 HD23 LEU 33 3HD2 LEU 33 54.045 3.984 1.656 282 H TRP 34 H TRP 34 52.686 -0.001 6.324 283 HA TRP 34 HA TRP 34 54.761 -0.423 8.178 284 HB2 TRP 34 1HB TRP 34 52.314 -0.456 8.673 285 HB3 TRP 34 2HB TRP 34 52.223 -2.033 7.912 286 HD1 TRP 34 HD1 TRP 34 52.896 -4.090 9.319 287 HE1 TRP 34 HE1 TRP 34 53.668 -4.421 11.755 288 HE3 TRP 34 HE3 TRP 34 53.773 0.766 10.633 289 HZ2 TRP 34 HZ2 TRP 34 54.542 -2.833 13.974 290 HZ3 TRP 34 HZ3 TRP 34 54.572 1.327 12.907 291 HH2 TRP 34 HH2 TRP 34 54.958 -0.461 14.578 292 H ALA 35 H ALA 35 53.508 -2.501 5.607 293 HA ALA 35 HA ALA 35 54.979 -4.819 6.251 294 HB1 ALA 35 1HB ALA 35 54.439 -4.045 3.405 295 HB2 ALA 35 2HB ALA 35 53.098 -4.431 4.482 296 HB3 ALA 35 3HB ALA 35 54.348 -5.633 4.166 297 H ALA 36 H ALA 36 55.816 -1.989 4.300 298 HA ALA 36 HA ALA 36 58.192 -3.001 3.192 299 HB1 ALA 36 1HB ALA 36 57.507 -0.135 3.889 300 HB2 ALA 36 2HB ALA 36 57.111 -0.953 2.376 301 HB3 ALA 36 3HB ALA 36 58.797 -0.648 2.800 302 H ALA 37 H ALA 37 57.607 -1.251 6.221 303 HA ALA 37 HA ALA 37 60.311 -1.072 7.025 304 HB1 ALA 37 1HB ALA 37 58.109 -1.421 9.025 305 HB2 ALA 37 2HB ALA 37 58.151 0.024 8.015 306 HB3 ALA 37 3HB ALA 37 59.508 -0.349 9.078 307 H TRP 38 H TRP 38 57.853 -3.547 7.625 308 HA TRP 38 HA TRP 38 59.254 -5.166 9.402 309 HB2 TRP 38 1HB TRP 38 56.866 -5.400 8.868 310 HB3 TRP 38 2HB TRP 38 57.286 -6.019 7.283 311 HD1 TRP 38 HD1 TRP 38 57.492 -8.541 7.090 312 HE1 TRP 38 HE1 TRP 38 57.683 -10.504 8.749 313 HE3 TRP 38 HE3 TRP 38 57.944 -5.952 11.467 314 HZ2 TRP 38 HZ2 TRP 38 57.990 -10.921 11.566 315 HZ3 TRP 38 HZ3 TRP 38 58.185 -7.153 13.619 316 HH2 TRP 38 HH2 TRP 38 58.208 -9.629 13.676 317 H HIS 39 H HIS 39 59.494 -5.043 5.872 318 HA HIS 39 HA HIS 39 61.355 -7.256 5.791 319 HB2 HIS 39 1HB HIS 39 60.745 -5.107 3.750 320 HB3 HIS 39 2HB HIS 39 61.740 -6.522 3.459 321 HD1 HIS 39 HD1 HIS 39 60.375 -8.898 3.874 322 HD2 HIS 39 HD2 HIS 39 58.094 -5.488 3.128 323 HE1 HIS 39 HE1 HIS 39 58.087 -9.710 3.161 324 H GLY 40 H GLY 40 61.769 -3.837 4.889 325 HA2 GLY 40 1HA GLY 40 63.990 -3.661 6.792 326 HA3 GLY 40 2HA GLY 40 64.285 -3.169 5.126 327 H GLN 41 H GLN 41 63.264 -2.049 8.146 328 HA GLN 41 HA GLN 41 61.862 0.227 7.587 329 HB2 GLN 41 1HB GLN 41 64.337 0.006 9.318 330 HB3 GLN 41 2HB GLN 41 63.200 1.353 9.359 331 HG2 GLN 41 1HG GLN 41 61.385 -0.152 9.999 332 HG3 GLN 41 2HG GLN 41 62.461 -1.541 9.873 333 HE21 GLN 41 1HE2 GLN 41 61.113 -0.903 12.320 334 HE22 GLN 41 2HE2 GLN 41 62.279 -0.435 13.461 335 H LYS 42 H LYS 42 62.353 2.341 6.854 336 HA LYS 42 HA LYS 42 63.716 2.313 4.445 337 HB2 LYS 42 1HB LYS 42 63.440 4.779 4.455 338 HB3 LYS 42 2HB LYS 42 61.965 3.930 4.914 339 HG2 LYS 42 1HG LYS 42 62.607 4.259 7.324 340 HG3 LYS 42 2HG LYS 42 63.946 5.267 6.776 341 HD2 LYS 42 1HD LYS 42 62.424 6.840 5.742 342 HD3 LYS 42 2HD LYS 42 61.046 5.788 6.072 343 HE2 LYS 42 1HE LYS 42 62.793 6.778 8.318 344 HE3 LYS 42 2HE LYS 42 61.484 7.778 7.688 345 HZ1 LYS 42 1HZ LYS 42 61.353 5.491 9.380 346 HZ2 LYS 42 2HZ LYS 42 60.391 5.285 7.995 347 HZ3 LYS 42 3HZ LYS 42 60.147 6.625 9.010 348 HA PRO 43 HA PRO 43 68.012 2.904 5.586 349 HB2 PRO 43 1HB PRO 43 68.298 4.703 3.241 350 HB3 PRO 43 2HB PRO 43 69.177 3.216 3.644 351 HG2 PRO 43 1HG PRO 43 67.359 3.294 1.700 352 HG3 PRO 43 2HG PRO 43 67.585 1.861 2.720 353 HD2 PRO 43 1HD PRO 43 65.408 3.911 2.820 354 HD3 PRO 43 2HD PRO 43 65.329 2.161 3.120 355 H GLY 44 H GLY 44 65.863 5.590 5.050 356 HA2 GLY 44 1HA GLY 44 65.861 7.780 5.759 357 HA3 GLY 44 2HA GLY 44 66.873 7.225 7.091 358 H THR 45 H THR 45 67.408 7.377 3.581 359 HA THR 45 HA THR 45 70.114 8.063 3.702 360 HB THR 45 HB THR 45 69.871 8.723 1.351 361 HG1 THR 45 HG1 THR 45 67.841 8.888 0.461 362 HG21 THR 45 1HG2 THR 45 69.238 6.605 0.539 363 HG22 THR 45 2HG2 THR 45 68.019 6.388 1.795 364 HG23 THR 45 3HG2 THR 45 69.732 6.275 2.200 365 H HIS 46 H HIS 46 71.230 9.995 3.554 366 HA HIS 46 HA HIS 46 69.658 12.472 3.978 367 HB2 HIS 46 1HB HIS 46 72.322 11.786 5.225 368 HB3 HIS 46 2HB HIS 46 71.401 13.257 5.475 369 HD1 HIS 46 HD1 HIS 46 68.879 12.753 6.550 370 HD2 HIS 46 HD2 HIS 46 71.843 9.880 7.140 371 HE1 HIS 46 HE1 HIS 46 68.112 11.322 8.492 Start of MODEL 11 1 H ARG 1 3H ARG 1 49.142 14.560 -11.503 2 HA ARG 1 HA ARG 1 47.001 13.216 -11.663 3 HB2 ARG 1 1HB ARG 1 47.489 15.045 -10.018 4 HB3 ARG 1 2HB ARG 1 46.817 16.202 -11.169 5 HG2 ARG 1 1HG ARG 1 44.658 15.068 -11.110 6 HG3 ARG 1 2HG ARG 1 45.313 13.820 -10.050 7 HD2 ARG 1 1HD ARG 1 44.130 15.390 -8.658 8 HD3 ARG 1 2HD ARG 1 45.853 15.631 -8.383 9 HE ARG 1 HE ARG 1 44.993 17.358 -10.448 10 HH11 ARG 1 1HH1 ARG 1 44.646 16.982 -6.974 11 HH12 ARG 1 2HH1 ARG 1 44.392 18.675 -6.716 12 HH21 ARG 1 1HH2 ARG 1 44.661 19.528 -10.052 13 HH22 ARG 1 2HH2 ARG 1 44.401 20.098 -8.437 14 H SER 2 H SER 2 45.843 12.573 -13.380 15 HA SER 2 HA SER 2 45.410 13.997 -15.742 16 HB2 SER 2 1HB SER 2 43.665 11.838 -14.532 17 HB3 SER 2 2HB SER 2 43.656 12.351 -16.216 18 HG SER 2 HG SER 2 45.641 10.991 -14.747 19 H LEU 3 H LEU 3 43.716 15.216 -16.530 20 HA LEU 3 HA LEU 3 42.392 16.979 -14.812 21 HB2 LEU 3 1HB LEU 3 41.591 16.169 -17.615 22 HB3 LEU 3 2HB LEU 3 41.071 17.625 -16.768 23 HG LEU 3 HG LEU 3 43.957 16.941 -17.403 24 HD11 LEU 3 1HD1 LEU 3 43.659 18.954 -18.968 25 HD12 LEU 3 2HD1 LEU 3 41.924 18.720 -18.760 26 HD13 LEU 3 3HD1 LEU 3 42.905 17.444 -19.480 27 HD21 LEU 3 1HD2 LEU 3 44.104 19.495 -16.877 28 HD22 LEU 3 2HD2 LEU 3 43.998 18.365 -15.528 29 HD23 LEU 3 3HD2 LEU 3 42.565 19.250 -16.052 30 H LEU 4 H LEU 4 41.473 13.750 -15.765 31 HA LEU 4 HA LEU 4 38.688 13.884 -15.446 32 HB2 LEU 4 1HB LEU 4 40.533 11.572 -14.812 33 HB3 LEU 4 2HB LEU 4 38.794 11.466 -15.079 34 HG LEU 4 HG LEU 4 40.792 12.488 -17.119 35 HD11 LEU 4 1HD1 LEU 4 41.158 10.135 -16.872 36 HD12 LEU 4 2HD1 LEU 4 40.127 10.320 -18.291 37 HD13 LEU 4 3HD1 LEU 4 39.428 9.811 -16.754 38 HD21 LEU 4 1HD2 LEU 4 38.633 13.476 -17.504 39 HD22 LEU 4 2HD2 LEU 4 37.812 11.947 -17.188 40 HD23 LEU 4 3HD2 LEU 4 38.785 12.140 -18.647 41 H GLU 5 H GLU 5 41.223 13.887 -13.051 42 HA GLU 5 HA GLU 5 39.428 13.161 -10.879 43 HB2 GLU 5 1HB GLU 5 42.328 14.008 -10.881 44 HB3 GLU 5 2HB GLU 5 41.432 13.482 -9.455 45 HG2 GLU 5 1HG GLU 5 40.938 11.327 -10.598 46 HG3 GLU 5 2HG GLU 5 41.919 11.848 -11.960 47 H GLY 6 H GLY 6 40.364 16.098 -12.413 48 HA2 GLY 6 1HA GLY 6 39.727 17.727 -10.073 49 HA3 GLY 6 2HA GLY 6 40.314 18.312 -11.620 50 H GLU 7 H GLU 7 37.715 16.142 -12.065 51 HA GLU 7 HA GLU 7 35.969 18.358 -12.801 52 HB2 GLU 7 1HB GLU 7 35.640 15.362 -13.109 53 HB3 GLU 7 2HB GLU 7 34.535 16.577 -13.753 54 HG2 GLU 7 1HG GLU 7 36.420 17.558 -15.052 55 HG3 GLU 7 2HG GLU 7 37.465 16.272 -14.466 56 H ILE 8 H ILE 8 33.755 18.480 -12.059 57 HA ILE 8 HA ILE 8 33.671 18.131 -9.206 58 HB ILE 8 HB ILE 8 31.620 19.223 -11.153 59 HG12 ILE 8 1HG1 ILE 8 33.509 20.692 -9.295 60 HG13 ILE 8 2HG1 ILE 8 33.842 20.414 -11.005 61 HG21 ILE 8 1HG2 ILE 8 30.514 20.197 -9.234 62 HG22 ILE 8 2HG2 ILE 8 31.769 19.597 -8.150 63 HG23 ILE 8 3HG2 ILE 8 30.675 18.464 -8.945 64 HD11 ILE 8 1HD1 ILE 8 31.496 21.946 -9.847 65 HD12 ILE 8 2HD1 ILE 8 31.687 21.565 -11.558 66 HD13 ILE 8 3HD1 ILE 8 32.849 22.620 -10.755 67 HA PRO 9 HA PRO 9 31.423 14.228 -9.393 68 HB2 PRO 9 1HB PRO 9 30.106 14.291 -6.974 69 HB3 PRO 9 2HB PRO 9 31.810 13.841 -7.168 70 HG2 PRO 9 1HG PRO 9 30.625 16.432 -6.316 71 HG3 PRO 9 2HG PRO 9 32.058 15.585 -5.702 72 HD2 PRO 9 1HD PRO 9 32.273 17.686 -7.387 73 HD3 PRO 9 2HD PRO 9 33.419 16.330 -7.426 74 H PHE 10 H PHE 10 29.394 13.464 -9.949 75 HA PHE 10 HA PHE 10 27.464 15.188 -10.964 76 HB2 PHE 10 1HB PHE 10 27.862 12.564 -11.161 77 HB3 PHE 10 2HB PHE 10 26.598 12.525 -9.948 78 HD1 PHE 10 HD1 PHE 10 27.276 14.445 -13.109 79 HD2 PHE 10 HD2 PHE 10 24.483 12.132 -10.807 80 HE1 PHE 10 HE1 PHE 10 25.576 14.723 -14.893 81 HE2 PHE 10 HE2 PHE 10 22.783 12.408 -12.592 82 HZ PHE 10 HZ PHE 10 23.330 13.703 -14.635 83 HA PRO 11 HA PRO 11 25.504 16.996 -7.583 84 HB2 PRO 11 1HB PRO 11 22.799 16.362 -8.630 85 HB3 PRO 11 2HB PRO 11 23.531 17.926 -8.234 86 HG2 PRO 11 1HG PRO 11 23.180 17.120 -10.751 87 HG3 PRO 11 2HG PRO 11 24.567 18.108 -10.260 88 HD2 PRO 11 1HD PRO 11 24.472 15.200 -10.924 89 HD3 PRO 11 2HD PRO 11 25.778 16.383 -11.166 90 HA PRO 12 HA PRO 12 22.635 13.478 -5.710 91 HB2 PRO 12 1HB PRO 12 24.128 11.136 -6.795 92 HB3 PRO 12 2HB PRO 12 22.395 11.311 -6.452 93 HG2 PRO 12 1HG PRO 12 23.320 11.343 -8.941 94 HG3 PRO 12 2HG PRO 12 21.968 12.375 -8.439 95 HD2 PRO 12 1HD PRO 12 24.809 13.131 -8.974 96 HD3 PRO 12 2HD PRO 12 23.321 14.065 -9.243 97 H THR 13 H THR 13 23.258 13.162 -3.632 98 HA THR 13 HA THR 13 25.917 13.387 -2.745 99 HB THR 13 HB THR 13 23.611 12.100 -1.277 100 HG1 THR 13 HG1 THR 13 22.938 14.089 -1.895 101 HG21 THR 13 1HG2 THR 13 26.123 13.517 -0.339 102 HG22 THR 13 2HG2 THR 13 25.792 11.791 -0.199 103 HG23 THR 13 3HG2 THR 13 24.825 12.951 0.713 104 H SER 14 H SER 14 24.192 10.577 -3.910 105 HA SER 14 HA SER 14 25.257 8.666 -2.132 106 HB2 SER 14 1HB SER 14 24.344 8.237 -4.983 107 HB3 SER 14 2HB SER 14 24.500 7.003 -3.737 108 HG SER 14 HG SER 14 22.345 7.897 -4.030 109 H ILE 15 H ILE 15 26.424 9.825 -5.291 110 HA ILE 15 HA ILE 15 28.512 7.935 -5.533 111 HB ILE 15 HB ILE 15 29.519 9.443 -7.152 112 HG12 ILE 15 1HG1 ILE 15 27.429 11.454 -6.279 113 HG13 ILE 15 2HG1 ILE 15 29.132 11.545 -5.836 114 HG21 ILE 15 1HG2 ILE 15 26.520 9.658 -7.447 115 HG22 ILE 15 2HG2 ILE 15 27.365 8.119 -7.610 116 HG23 ILE 15 3HG2 ILE 15 27.728 9.445 -8.713 117 HD11 ILE 15 1HD1 ILE 15 29.737 11.606 -8.239 118 HD12 ILE 15 2HD1 ILE 15 28.703 12.957 -7.782 119 HD13 ILE 15 3HD1 ILE 15 28.023 11.586 -8.655 120 H LEU 16 H LEU 16 28.329 10.984 -3.750 121 HA LEU 16 HA LEU 16 31.057 11.201 -3.081 122 HB2 LEU 16 1HB LEU 16 29.334 12.947 -2.630 123 HB3 LEU 16 2HB LEU 16 28.697 11.932 -1.335 124 HG LEU 16 HG LEU 16 31.019 11.936 -0.323 125 HD11 LEU 16 1HD1 LEU 16 32.427 12.550 -2.121 126 HD12 LEU 16 2HD1 LEU 16 32.376 13.995 -1.111 127 HD13 LEU 16 3HD1 LEU 16 31.398 13.908 -2.575 128 HD21 LEU 16 1HD2 LEU 16 30.805 14.455 0.338 129 HD22 LEU 16 2HD2 LEU 16 29.492 13.357 0.763 130 HD23 LEU 16 3HD2 LEU 16 29.337 14.416 -0.638 131 H LEU 17 H LEU 17 28.441 9.279 -1.643 132 HA LEU 17 HA LEU 17 29.893 8.266 0.550 133 HB2 LEU 17 1HB LEU 17 27.449 7.932 0.190 134 HB3 LEU 17 2HB LEU 17 27.829 6.775 -1.086 135 HG LEU 17 HG LEU 17 29.191 5.488 0.613 136 HD11 LEU 17 1HD1 LEU 17 29.651 6.998 2.344 137 HD12 LEU 17 2HD1 LEU 17 28.342 6.037 3.030 138 HD13 LEU 17 3HD1 LEU 17 28.006 7.633 2.358 139 HD21 LEU 17 1HD2 LEU 17 27.078 4.556 0.125 140 HD22 LEU 17 2HD2 LEU 17 26.215 5.901 0.872 141 HD23 LEU 17 3HD2 LEU 17 27.052 4.722 1.881 142 H LEU 18 H LEU 18 29.793 7.240 -2.844 143 HA LEU 18 HA LEU 18 31.346 4.901 -2.555 144 HB2 LEU 18 1HB LEU 18 31.298 6.774 -4.931 145 HB3 LEU 18 2HB LEU 18 31.832 5.096 -4.932 146 HG LEU 18 HG LEU 18 29.035 6.002 -4.199 147 HD11 LEU 18 1HD1 LEU 18 30.041 4.636 -6.714 148 HD12 LEU 18 2HD1 LEU 18 29.596 6.340 -6.605 149 HD13 LEU 18 3HD1 LEU 18 28.373 5.092 -6.368 150 HD21 LEU 18 1HD2 LEU 18 29.436 3.940 -3.104 151 HD22 LEU 18 2HD2 LEU 18 30.406 3.321 -4.441 152 HD23 LEU 18 3HD2 LEU 18 28.656 3.471 -4.614 153 H LEU 19 H LEU 19 32.314 8.291 -2.954 154 HA LEU 19 HA LEU 19 35.091 7.831 -3.119 155 HB2 LEU 19 1HB LEU 19 33.446 10.163 -2.196 156 HB3 LEU 19 2HB LEU 19 35.179 10.169 -1.921 157 HG LEU 19 HG LEU 19 34.513 11.317 -4.025 158 HD11 LEU 19 1HD1 LEU 19 36.722 10.034 -3.649 159 HD12 LEU 19 2HD1 LEU 19 36.298 10.483 -5.302 160 HD13 LEU 19 3HD1 LEU 19 36.045 8.829 -4.744 161 HD21 LEU 19 1HD2 LEU 19 33.735 9.995 -5.939 162 HD22 LEU 19 2HD2 LEU 19 32.586 9.876 -4.606 163 HD23 LEU 19 3HD2 LEU 19 33.692 8.542 -4.939 164 H ALA 20 H ALA 20 32.939 7.951 -0.325 165 HA ALA 20 HA ALA 20 34.905 7.911 1.690 166 HB1 ALA 20 1HB ALA 20 32.335 8.122 1.902 167 HB2 ALA 20 2HB ALA 20 33.200 7.241 3.161 168 HB3 ALA 20 3HB ALA 20 32.335 6.358 1.903 169 H CYS 21 H CYS 21 33.419 5.275 -0.161 170 HA CYS 21 HA CYS 21 34.732 3.133 1.116 171 HB2 CYS 21 1HB CYS 21 33.900 3.399 -1.784 172 HB3 CYS 21 2HB CYS 21 34.342 1.889 -0.987 173 HG CYS 21 HG CYS 21 32.270 2.362 0.677 174 H ILE 22 H ILE 22 35.759 5.242 -1.552 175 HA ILE 22 HA ILE 22 38.187 3.947 -2.144 176 HB ILE 22 HB ILE 22 37.628 6.919 -2.255 177 HG12 ILE 22 1HG1 ILE 22 35.902 5.695 -3.477 178 HG13 ILE 22 2HG1 ILE 22 36.986 6.490 -4.611 179 HG21 ILE 22 1HG2 ILE 22 39.589 5.176 -3.774 180 HG22 ILE 22 2HG2 ILE 22 40.002 6.337 -2.512 181 HG23 ILE 22 3HG2 ILE 22 39.330 6.900 -4.042 182 HD11 ILE 22 1HD1 ILE 22 37.178 4.482 -5.624 183 HD12 ILE 22 2HD1 ILE 22 36.411 3.649 -4.276 184 HD13 ILE 22 3HD1 ILE 22 38.144 3.963 -4.244 185 H PHE 23 H PHE 23 37.364 6.289 0.395 186 HA PHE 23 HA PHE 23 39.979 6.756 1.335 187 HB2 PHE 23 1HB PHE 23 37.935 7.980 2.081 188 HB3 PHE 23 2HB PHE 23 37.475 6.566 3.009 189 HD1 PHE 23 HD1 PHE 23 39.925 9.315 2.695 190 HD2 PHE 23 HD2 PHE 23 38.550 6.034 5.102 191 HE1 PHE 23 HE1 PHE 23 41.298 10.131 4.592 192 HE2 PHE 23 HE2 PHE 23 39.923 6.850 6.999 193 HZ PHE 23 HZ PHE 23 41.298 8.899 6.744 194 H LEU 24 H LEU 24 37.707 4.113 2.008 195 HA LEU 24 HA LEU 24 39.254 2.797 3.966 196 HB2 LEU 24 1HB LEU 24 37.500 1.509 1.860 197 HB3 LEU 24 2HB LEU 24 38.031 0.774 3.371 198 HG LEU 24 HG LEU 24 36.347 3.290 3.184 199 HD11 LEU 24 1HD1 LEU 24 35.647 0.392 3.703 200 HD12 LEU 24 2HD1 LEU 24 34.976 1.463 2.473 201 HD13 LEU 24 3HD1 LEU 24 34.590 1.722 4.174 202 HD21 LEU 24 1HD2 LEU 24 37.419 1.619 5.462 203 HD22 LEU 24 2HD2 LEU 24 35.993 2.638 5.664 204 HD23 LEU 24 3HD2 LEU 24 37.541 3.363 5.231 205 H ILE 25 H ILE 25 39.428 2.711 0.423 206 HA ILE 25 HA ILE 25 41.405 0.708 0.217 207 HB ILE 25 HB ILE 25 41.093 3.117 -1.593 208 HG12 ILE 25 1HG1 ILE 25 39.859 0.355 -1.829 209 HG13 ILE 25 2HG1 ILE 25 38.987 1.771 -1.240 210 HG21 ILE 25 1HG2 ILE 25 43.196 1.826 -1.874 211 HG22 ILE 25 2HG2 ILE 25 42.128 1.660 -3.268 212 HG23 ILE 25 3HG2 ILE 25 42.244 0.356 -2.086 213 HD11 ILE 25 1HD1 ILE 25 40.059 1.234 -4.000 214 HD12 ILE 25 2HD1 ILE 25 39.785 2.889 -3.457 215 HD13 ILE 25 3HD1 ILE 25 38.441 1.749 -3.523 216 H LYS 26 H LYS 26 41.677 4.183 0.883 217 HA LYS 26 HA LYS 26 44.484 4.366 0.771 218 HB2 LYS 26 1HB LYS 26 42.940 6.314 1.020 219 HB3 LYS 26 2HB LYS 26 42.685 5.843 2.700 220 HG2 LYS 26 1HG LYS 26 45.131 6.018 3.100 221 HG3 LYS 26 2HG LYS 26 45.340 6.581 1.442 222 HD2 LYS 26 1HD LYS 26 43.764 8.466 1.942 223 HD3 LYS 26 2HD LYS 26 43.746 7.945 3.628 224 HE2 LYS 26 1HE LYS 26 46.352 8.493 2.220 225 HE3 LYS 26 2HE LYS 26 45.425 9.807 2.944 226 HZ1 LYS 26 1HZ LYS 26 45.423 7.905 4.872 227 HZ2 LYS 26 2HZ LYS 26 46.460 9.249 4.818 228 HZ3 LYS 26 3HZ LYS 26 46.976 7.748 4.210 229 H ILE 27 H ILE 27 42.344 3.214 3.350 230 HA ILE 27 HA ILE 27 44.314 2.855 5.340 231 HB ILE 27 HB ILE 27 41.949 1.035 4.846 232 HG12 ILE 27 1HG1 ILE 27 41.185 3.368 4.931 233 HG13 ILE 27 2HG1 ILE 27 40.719 2.518 6.399 234 HG21 ILE 27 1HG2 ILE 27 43.349 0.062 6.481 235 HG22 ILE 27 2HG2 ILE 27 42.113 0.916 7.405 236 HG23 ILE 27 3HG2 ILE 27 43.717 1.623 7.215 237 HD11 ILE 27 1HD1 ILE 27 42.682 3.498 7.571 238 HD12 ILE 27 2HD1 ILE 27 41.594 4.740 6.952 239 HD13 ILE 27 3HD1 ILE 27 43.095 4.382 6.101 240 H LEU 28 H LEU 28 43.371 0.797 2.611 241 HA LEU 28 HA LEU 28 45.057 -1.387 3.187 242 HB2 LEU 28 1HB LEU 28 43.326 -1.311 1.359 243 HB3 LEU 28 2HB LEU 28 44.462 -0.349 0.412 244 HG LEU 28 HG LEU 28 46.159 -2.205 0.775 245 HD11 LEU 28 1HD1 LEU 28 45.253 -3.403 2.618 246 HD12 LEU 28 2HD1 LEU 28 45.000 -4.457 1.227 247 HD13 LEU 28 3HD1 LEU 28 43.660 -3.506 1.867 248 HD21 LEU 28 1HD2 LEU 28 44.959 -3.739 -0.902 249 HD22 LEU 28 2HD2 LEU 28 45.151 -2.053 -1.379 250 HD23 LEU 28 3HD2 LEU 28 43.597 -2.626 -0.775 251 H ALA 29 H ALA 29 45.754 1.717 1.648 252 HA ALA 29 HA ALA 29 48.438 1.209 0.950 253 HB1 ALA 29 1HB ALA 29 48.634 3.488 0.605 254 HB2 ALA 29 2HB ALA 29 47.622 3.892 1.992 255 HB3 ALA 29 3HB ALA 29 46.884 3.287 0.509 256 H ALA 30 H ALA 30 46.979 2.213 4.014 257 HA ALA 30 HA ALA 30 49.343 2.820 5.404 258 HB1 ALA 30 1HB ALA 30 46.861 1.558 6.586 259 HB2 ALA 30 2HB ALA 30 47.009 3.274 6.206 260 HB3 ALA 30 3HB ALA 30 48.057 2.547 7.424 261 H SER 31 H SER 31 47.676 -0.272 4.914 262 HA SER 31 HA SER 31 49.374 -1.862 6.507 263 HB2 SER 31 1HB SER 31 48.502 -3.739 5.369 264 HB3 SER 31 2HB SER 31 47.202 -2.553 5.340 265 HG SER 31 HG SER 31 47.770 -3.644 3.291 266 H ALA 32 H ALA 32 49.775 -0.612 3.219 267 HA ALA 32 HA ALA 32 52.040 -2.141 2.507 268 HB1 ALA 32 1HB ALA 32 51.759 0.717 1.649 269 HB2 ALA 32 2HB ALA 32 50.580 -0.475 1.101 270 HB3 ALA 32 3HB ALA 32 52.289 -0.681 0.716 271 H LEU 33 H LEU 33 51.726 0.945 4.249 272 HA LEU 33 HA LEU 33 54.471 1.503 4.508 273 HB2 LEU 33 1HB LEU 33 52.261 2.102 6.487 274 HB3 LEU 33 2HB LEU 33 53.837 2.888 6.425 275 HG LEU 33 HG LEU 33 51.800 2.923 4.177 276 HD11 LEU 33 1HD1 LEU 33 51.339 5.197 4.819 277 HD12 LEU 33 2HD1 LEU 33 52.629 5.179 6.021 278 HD13 LEU 33 3HD1 LEU 33 51.178 4.210 6.271 279 HD21 LEU 33 1HD2 LEU 33 53.905 3.223 3.169 280 HD22 LEU 33 2HD2 LEU 33 54.554 4.085 4.564 281 HD23 LEU 33 3HD2 LEU 33 53.394 4.879 3.498 282 H TRP 34 H TRP 34 52.333 -0.572 6.443 283 HA TRP 34 HA TRP 34 54.201 -1.295 8.426 284 HB2 TRP 34 1HB TRP 34 51.759 -1.907 8.373 285 HB3 TRP 34 2HB TRP 34 52.160 -3.140 7.194 286 HD1 TRP 34 HD1 TRP 34 52.496 -2.270 10.878 287 HE1 TRP 34 HE1 TRP 34 53.226 -4.377 12.169 288 HE3 TRP 34 HE3 TRP 34 53.461 -5.412 6.969 289 HZ2 TRP 34 HZ2 TRP 34 54.106 -7.047 11.617 290 HZ3 TRP 34 HZ3 TRP 34 54.241 -7.725 7.378 291 HH2 TRP 34 HH2 TRP 34 54.565 -8.548 9.693 292 H ALA 35 H ALA 35 53.782 -2.468 5.118 293 HA ALA 35 HA ALA 35 55.678 -4.549 5.193 294 HB1 ALA 35 1HB ALA 35 55.535 -4.578 2.885 295 HB2 ALA 35 2HB ALA 35 55.433 -2.822 2.763 296 HB3 ALA 35 3HB ALA 35 54.033 -3.752 3.296 297 H ALA 36 H ALA 36 56.069 -1.067 4.707 298 HA ALA 36 HA ALA 36 58.794 -1.066 4.009 299 HB1 ALA 36 1HB ALA 36 58.751 1.227 4.374 300 HB2 ALA 36 2HB ALA 36 57.660 1.092 5.752 301 HB3 ALA 36 3HB ALA 36 57.041 0.883 4.113 302 H ALA 37 H ALA 37 57.216 -1.046 7.186 303 HA ALA 37 HA ALA 37 59.563 -0.937 8.753 304 HB1 ALA 37 1HB ALA 37 58.213 -1.704 10.572 305 HB2 ALA 37 2HB ALA 37 57.034 -2.422 9.473 306 HB3 ALA 37 3HB ALA 37 57.193 -0.668 9.573 307 H TRP 38 H TRP 38 57.824 -3.676 7.347 308 HA TRP 38 HA TRP 38 59.268 -5.774 8.467 309 HB2 TRP 38 1HB TRP 38 57.204 -5.965 7.072 310 HB3 TRP 38 2HB TRP 38 58.194 -5.686 5.653 311 HD1 TRP 38 HD1 TRP 38 57.305 -8.301 8.238 312 HE1 TRP 38 HE1 TRP 38 58.288 -10.571 7.515 313 HE3 TRP 38 HE3 TRP 38 60.203 -6.796 4.314 314 HZ2 TRP 38 HZ2 TRP 38 60.072 -11.613 5.531 315 HZ3 TRP 38 HZ3 TRP 38 61.531 -8.441 3.027 316 HH2 TRP 38 HH2 TRP 38 61.471 -10.845 3.628 317 H HIS 39 H HIS 39 60.162 -3.687 5.750 318 HA HIS 39 HA HIS 39 62.598 -5.139 5.225 319 HB2 HIS 39 1HB HIS 39 61.799 -2.301 4.542 320 HB3 HIS 39 2HB HIS 39 63.232 -3.114 3.941 321 HD1 HIS 39 HD1 HIS 39 62.642 -5.432 2.540 322 HD2 HIS 39 HD2 HIS 39 59.614 -2.590 2.899 323 HE1 HIS 39 HE1 HIS 39 60.946 -5.963 0.738 324 H GLY 40 H GLY 40 62.144 -1.814 6.463 325 HA2 GLY 40 1HA GLY 40 63.665 -2.597 8.849 326 HA3 GLY 40 2HA GLY 40 64.189 -1.165 7.964 327 H GLN 41 H GLN 41 62.185 -2.237 10.449 328 HA GLN 41 HA GLN 41 60.323 -0.248 10.687 329 HB2 GLN 41 1HB GLN 41 60.530 -0.422 13.094 330 HB3 GLN 41 2HB GLN 41 60.698 -2.020 12.380 331 HG2 GLN 41 1HG GLN 41 63.069 -0.289 13.137 332 HG3 GLN 41 2HG GLN 41 62.354 -1.474 14.219 333 HE21 GLN 41 1HE2 GLN 41 65.005 -1.238 12.446 334 HE22 GLN 41 2HE2 GLN 41 65.131 -2.808 11.812 335 H LYS 42 H LYS 42 60.267 1.890 11.415 336 HA LYS 42 HA LYS 42 62.275 3.545 10.448 337 HB2 LYS 42 1HB LYS 42 61.134 5.373 11.645 338 HB3 LYS 42 2HB LYS 42 59.991 4.331 10.800 339 HG2 LYS 42 1HG LYS 42 59.888 3.046 13.088 340 HG3 LYS 42 2HG LYS 42 60.523 4.553 13.749 341 HD2 LYS 42 1HD LYS 42 58.623 5.694 12.396 342 HD3 LYS 42 2HD LYS 42 57.912 4.081 12.322 343 HE2 LYS 42 1HE LYS 42 57.028 5.302 14.257 344 HE3 LYS 42 2HE LYS 42 58.008 3.939 14.793 345 HZ1 LYS 42 1HZ LYS 42 59.228 6.595 14.433 346 HZ2 LYS 42 2HZ LYS 42 59.732 5.310 15.424 347 HZ3 LYS 42 3HZ LYS 42 58.376 6.238 15.856 348 HA PRO 43 HA PRO 43 65.500 3.376 13.446 349 HB2 PRO 43 1HB PRO 43 65.752 6.338 13.352 350 HB3 PRO 43 2HB PRO 43 66.964 5.086 13.019 351 HG2 PRO 43 1HG PRO 43 65.844 6.515 11.071 352 HG3 PRO 43 2HG PRO 43 66.289 4.812 10.854 353 HD2 PRO 43 1HD PRO 43 63.579 6.011 11.238 354 HD3 PRO 43 2HD PRO 43 64.070 4.595 10.282 355 H GLY 44 H GLY 44 65.787 3.501 15.637 356 HA2 GLY 44 1HA GLY 44 65.501 4.139 17.835 357 HA3 GLY 44 2HA GLY 44 64.638 5.562 17.264 358 H THR 45 H THR 45 63.523 4.731 19.385 359 HA THR 45 HA THR 45 61.795 2.533 19.381 360 HB THR 45 HB THR 45 60.573 3.717 21.151 361 HG1 THR 45 HG1 THR 45 60.452 5.778 20.622 362 HG21 THR 45 1HG2 THR 45 63.482 4.409 21.502 363 HG22 THR 45 2HG2 THR 45 62.961 2.727 21.426 364 HG23 THR 45 3HG2 THR 45 62.344 3.784 22.696 365 H HIS 46 H HIS 46 59.643 2.260 18.828 366 HA HIS 46 HA HIS 46 58.650 4.120 16.784 367 HB2 HIS 46 1HB HIS 46 57.121 2.332 16.171 368 HB3 HIS 46 2HB HIS 46 58.771 1.741 16.206 369 HD1 HIS 46 HD1 HIS 46 59.420 0.356 18.460 370 HD2 HIS 46 HD2 HIS 46 55.351 0.885 17.723 371 HE1 HIS 46 HE1 HIS 46 58.207 -1.344 19.890 Start of MODEL 12 1 H ARG 1 3H ARG 1 19.467 18.700 18.074 2 HA ARG 1 HA ARG 1 17.715 18.406 19.732 3 HB2 ARG 1 1HB ARG 1 18.788 19.904 21.425 4 HB3 ARG 1 2HB ARG 1 18.349 21.289 20.425 5 HG2 ARG 1 1HG ARG 1 15.959 20.623 20.591 6 HG3 ARG 1 2HG ARG 1 16.423 19.299 21.661 7 HD2 ARG 1 1HD ARG 1 17.438 20.972 23.216 8 HD3 ARG 1 2HD ARG 1 16.828 22.256 22.177 9 HE ARG 1 HE ARG 1 14.658 21.804 22.929 10 HH11 ARG 1 1HH1 ARG 1 16.873 19.397 24.205 11 HH12 ARG 1 2HH1 ARG 1 15.722 18.807 25.357 12 HH21 ARG 1 1HH2 ARG 1 13.220 20.998 24.431 13 HH22 ARG 1 2HH2 ARG 1 13.682 19.701 25.482 14 H SER 2 H SER 2 18.551 21.383 17.973 15 HA SER 2 HA SER 2 15.983 22.133 17.170 16 HB2 SER 2 1HB SER 2 18.552 22.472 15.605 17 HB3 SER 2 2HB SER 2 17.075 23.410 15.408 18 HG SER 2 HG SER 2 19.039 23.525 17.353 19 H LEU 3 H LEU 3 14.720 21.688 15.391 20 HA LEU 3 HA LEU 3 14.714 19.101 14.337 21 HB2 LEU 3 1HB LEU 3 13.371 21.669 13.577 22 HB3 LEU 3 2HB LEU 3 13.241 20.288 12.498 23 HG LEU 3 HG LEU 3 11.342 20.463 14.092 24 HD11 LEU 3 1HD1 LEU 3 12.921 18.011 14.821 25 HD12 LEU 3 2HD1 LEU 3 12.349 18.257 13.171 26 HD13 LEU 3 3HD1 LEU 3 11.194 18.165 14.500 27 HD21 LEU 3 1HD2 LEU 3 13.238 19.640 16.287 28 HD22 LEU 3 2HD2 LEU 3 11.582 20.233 16.424 29 HD23 LEU 3 3HD2 LEU 3 12.882 21.340 15.982 30 H LEU 4 H LEU 4 16.520 21.890 13.280 31 HA LEU 4 HA LEU 4 16.888 21.266 10.569 32 HB2 LEU 4 1HB LEU 4 18.465 22.810 12.596 33 HB3 LEU 4 2HB LEU 4 19.182 22.481 11.026 34 HG LEU 4 HG LEU 4 18.035 24.681 11.131 35 HD11 LEU 4 1HD1 LEU 4 18.166 23.079 9.053 36 HD12 LEU 4 2HD1 LEU 4 17.198 24.551 8.976 37 HD13 LEU 4 3HD1 LEU 4 16.416 22.996 9.259 38 HD21 LEU 4 1HD2 LEU 4 16.172 23.719 12.674 39 HD22 LEU 4 2HD2 LEU 4 15.402 23.222 11.166 40 HD23 LEU 4 3HD2 LEU 4 15.727 24.929 11.469 41 H GLU 5 H GLU 5 18.260 19.793 13.408 42 HA GLU 5 HA GLU 5 20.474 18.587 11.954 43 HB2 GLU 5 1HB GLU 5 19.547 18.283 14.813 44 HB3 GLU 5 2HB GLU 5 21.003 17.547 14.143 45 HG2 GLU 5 1HG GLU 5 21.823 19.811 13.515 46 HG3 GLU 5 2HG GLU 5 20.403 20.514 14.274 47 H GLY 6 H GLY 6 17.210 17.721 12.569 48 HA2 GLY 6 1HA GLY 6 17.750 14.853 12.487 49 HA3 GLY 6 2HA GLY 6 16.194 15.610 12.773 50 H GLU 7 H GLU 7 17.673 17.013 10.034 51 HA GLU 7 HA GLU 7 15.744 15.642 8.328 52 HB2 GLU 7 1HB GLU 7 16.042 18.126 8.264 53 HB3 GLU 7 2HB GLU 7 17.669 17.872 7.631 54 HG2 GLU 7 1HG GLU 7 16.694 16.592 5.731 55 HG3 GLU 7 2HG GLU 7 15.084 16.948 6.342 56 H ILE 8 H ILE 8 16.267 14.459 6.497 57 HA ILE 8 HA ILE 8 18.764 13.047 6.636 58 HB ILE 8 HB ILE 8 16.539 12.831 4.597 59 HG12 ILE 8 1HG1 ILE 8 17.105 11.115 7.033 60 HG13 ILE 8 2HG1 ILE 8 15.879 12.382 6.987 61 HG21 ILE 8 1HG2 ILE 8 18.708 11.892 3.843 62 HG22 ILE 8 2HG2 ILE 8 17.514 10.626 4.122 63 HG23 ILE 8 3HG2 ILE 8 18.784 10.918 5.311 64 HD11 ILE 8 1HD1 ILE 8 14.831 10.230 6.506 65 HD12 ILE 8 2HD1 ILE 8 15.987 9.929 5.208 66 HD13 ILE 8 3HD1 ILE 8 14.807 11.231 5.055 67 HA PRO 9 HA PRO 9 20.795 15.629 3.514 68 HB2 PRO 9 1HB PRO 9 22.449 13.320 2.727 69 HB3 PRO 9 2HB PRO 9 22.938 14.863 3.449 70 HG2 PRO 9 1HG PRO 9 23.008 12.523 4.778 71 HG3 PRO 9 2HG PRO 9 22.746 14.087 5.569 72 HD2 PRO 9 1HD PRO 9 20.751 11.952 4.917 73 HD3 PRO 9 2HD PRO 9 20.826 13.048 6.317 74 H PHE 10 H PHE 10 20.648 15.932 1.267 75 HA PHE 10 HA PHE 10 18.529 14.701 -0.045 76 HB2 PHE 10 1HB PHE 10 20.893 16.079 -1.322 77 HB3 PHE 10 2HB PHE 10 19.329 15.804 -2.068 78 HD1 PHE 10 HD1 PHE 10 21.214 17.782 0.391 79 HD2 PHE 10 HD2 PHE 10 17.376 17.129 -1.425 80 HE1 PHE 10 HE1 PHE 10 20.414 19.944 1.304 81 HE2 PHE 10 HE2 PHE 10 16.577 19.292 -0.512 82 HZ PHE 10 HZ PHE 10 18.096 20.699 0.853 83 HA PRO 11 HA PRO 11 20.112 10.801 -1.304 84 HB2 PRO 11 1HB PRO 11 18.987 10.523 -3.857 85 HB3 PRO 11 2HB PRO 11 18.252 10.070 -2.312 86 HG2 PRO 11 1HG PRO 11 17.776 12.433 -4.000 87 HG3 PRO 11 2HG PRO 11 16.689 11.585 -2.891 88 HD2 PRO 11 1HD PRO 11 17.851 14.002 -2.310 89 HD3 PRO 11 2HD PRO 11 17.332 12.833 -1.078 90 HA PRO 12 HA PRO 12 22.634 11.995 -5.357 91 HB2 PRO 12 1HB PRO 12 23.206 14.809 -4.550 92 HB3 PRO 12 2HB PRO 12 23.029 14.111 -6.172 93 HG2 PRO 12 1HG PRO 12 21.110 15.592 -5.100 94 HG3 PRO 12 2HG PRO 12 20.736 14.177 -6.103 95 HD2 PRO 12 1HD PRO 12 20.555 14.476 -3.138 96 HD3 PRO 12 2HD PRO 12 19.549 13.515 -4.241 97 H THR 13 H THR 13 22.976 13.127 -2.062 98 HA THR 13 HA THR 13 25.757 13.360 -1.874 99 HB THR 13 HB THR 13 25.454 13.011 0.531 100 HG1 THR 13 HG1 THR 13 23.995 11.578 0.977 101 HG21 THR 13 1HG2 THR 13 23.264 14.606 -0.824 102 HG22 THR 13 2HG2 THR 13 24.856 15.193 -0.341 103 HG23 THR 13 3HG2 THR 13 23.673 14.740 0.887 104 H SER 14 H SER 14 23.846 10.470 -2.224 105 HA SER 14 HA SER 14 25.406 8.648 -0.758 106 HB2 SER 14 1HB SER 14 23.160 8.156 -1.719 107 HB3 SER 14 2HB SER 14 23.889 8.115 -3.321 108 HG SER 14 HG SER 14 23.903 6.038 -2.587 109 H ILE 15 H ILE 15 25.813 9.947 -4.043 110 HA ILE 15 HA ILE 15 27.823 8.141 -4.875 111 HB ILE 15 HB ILE 15 28.446 9.800 -6.531 112 HG12 ILE 15 1HG1 ILE 15 26.809 11.998 -6.256 113 HG13 ILE 15 2HG1 ILE 15 27.184 11.662 -4.572 114 HG21 ILE 15 1HG2 ILE 15 26.370 8.483 -6.814 115 HG22 ILE 15 2HG2 ILE 15 26.265 10.060 -7.595 116 HG23 ILE 15 3HG2 ILE 15 25.455 9.785 -6.054 117 HD11 ILE 15 1HD1 ILE 15 28.817 13.220 -5.516 118 HD12 ILE 15 2HD1 ILE 15 29.202 12.071 -6.795 119 HD13 ILE 15 3HD1 ILE 15 29.604 11.693 -5.121 120 H LEU 16 H LEU 16 27.995 11.084 -2.904 121 HA LEU 16 HA LEU 16 30.805 11.303 -2.803 122 HB2 LEU 16 1HB LEU 16 28.789 11.977 -0.646 123 HB3 LEU 16 2HB LEU 16 30.449 12.566 -0.733 124 HG LEU 16 HG LEU 16 28.342 13.051 -2.858 125 HD11 LEU 16 1HD1 LEU 16 28.413 15.397 -1.997 126 HD12 LEU 16 2HD1 LEU 16 29.430 14.844 -0.667 127 HD13 LEU 16 3HD1 LEU 16 27.774 14.256 -0.814 128 HD21 LEU 16 1HD2 LEU 16 31.217 13.901 -2.479 129 HD22 LEU 16 2HD2 LEU 16 30.110 14.847 -3.474 130 HD23 LEU 16 3HD2 LEU 16 30.467 13.173 -3.900 131 H LEU 17 H LEU 17 28.530 9.348 -0.895 132 HA LEU 17 HA LEU 17 30.424 8.331 0.931 133 HB2 LEU 17 1HB LEU 17 27.814 7.260 -0.094 134 HB3 LEU 17 2HB LEU 17 28.832 6.282 0.960 135 HG LEU 17 HG LEU 17 28.892 8.252 2.555 136 HD11 LEU 17 1HD1 LEU 17 26.737 9.725 2.160 137 HD12 LEU 17 2HD1 LEU 17 26.984 9.268 0.475 138 HD13 LEU 17 3HD1 LEU 17 28.247 10.134 1.348 139 HD21 LEU 17 1HD2 LEU 17 26.165 7.074 1.934 140 HD22 LEU 17 2HD2 LEU 17 26.672 7.752 3.481 141 HD23 LEU 17 3HD2 LEU 17 27.421 6.274 2.877 142 H LEU 18 H LEU 18 29.614 7.320 -2.364 143 HA LEU 18 HA LEU 18 31.163 4.964 -2.418 144 HB2 LEU 18 1HB LEU 18 30.700 6.907 -4.693 145 HB3 LEU 18 2HB LEU 18 31.208 5.227 -4.844 146 HG LEU 18 HG LEU 18 28.603 6.126 -3.580 147 HD11 LEU 18 1HD1 LEU 18 27.525 5.369 -5.602 148 HD12 LEU 18 2HD1 LEU 18 29.049 4.763 -6.249 149 HD13 LEU 18 3HD1 LEU 18 28.794 6.499 -6.073 150 HD21 LEU 18 1HD2 LEU 18 29.910 3.460 -4.093 151 HD22 LEU 18 2HD2 LEU 18 28.151 3.590 -4.036 152 HD23 LEU 18 3HD2 LEU 18 29.116 4.038 -2.628 153 H LEU 19 H LEU 19 32.075 8.353 -2.948 154 HA LEU 19 HA LEU 19 34.798 7.920 -3.532 155 HB2 LEU 19 1HB LEU 19 33.616 10.129 -3.664 156 HB3 LEU 19 2HB LEU 19 33.694 10.215 -1.903 157 HG LEU 19 HG LEU 19 36.213 9.846 -2.138 158 HD11 LEU 19 1HD1 LEU 19 36.945 10.808 -4.483 159 HD12 LEU 19 2HD1 LEU 19 35.376 10.193 -5.002 160 HD13 LEU 19 3HD1 LEU 19 36.571 9.093 -4.313 161 HD21 LEU 19 1HD2 LEU 19 34.995 12.360 -3.326 162 HD22 LEU 19 2HD2 LEU 19 36.613 12.230 -2.638 163 HD23 LEU 19 3HD2 LEU 19 35.198 12.037 -1.603 164 H ALA 20 H ALA 20 33.077 7.976 -0.450 165 HA ALA 20 HA ALA 20 35.294 7.882 1.275 166 HB1 ALA 20 1HB ALA 20 32.724 8.059 1.767 167 HB2 ALA 20 2HB ALA 20 33.792 7.295 2.946 168 HB3 ALA 20 3HB ALA 20 32.818 6.299 1.863 169 H CYS 21 H CYS 21 33.615 5.306 -0.486 170 HA CYS 21 HA CYS 21 34.964 3.118 0.670 171 HB2 CYS 21 1HB CYS 21 33.905 3.446 -2.149 172 HB3 CYS 21 2HB CYS 21 34.387 1.914 -1.422 173 HG CYS 21 HG CYS 21 32.299 1.880 -0.049 174 H ILE 22 H ILE 22 35.802 5.176 -2.109 175 HA ILE 22 HA ILE 22 38.145 3.785 -2.847 176 HB ILE 22 HB ILE 22 37.539 6.742 -3.123 177 HG12 ILE 22 1HG1 ILE 22 37.203 4.485 -5.118 178 HG13 ILE 22 2HG1 ILE 22 35.887 5.092 -4.117 179 HG21 ILE 22 1HG2 ILE 22 39.464 4.983 -4.682 180 HG22 ILE 22 2HG2 ILE 22 39.954 6.119 -3.425 181 HG23 ILE 22 3HG2 ILE 22 39.204 6.714 -4.906 182 HD11 ILE 22 1HD1 ILE 22 37.523 6.898 -5.915 183 HD12 ILE 22 2HD1 ILE 22 35.984 7.253 -5.131 184 HD13 ILE 22 3HD1 ILE 22 36.051 6.093 -6.456 185 H PHE 23 H PHE 23 37.607 6.302 -0.394 186 HA PHE 23 HA PHE 23 40.314 6.654 0.318 187 HB2 PHE 23 1HB PHE 23 37.766 6.981 1.865 188 HB3 PHE 23 2HB PHE 23 39.324 7.195 2.635 189 HD1 PHE 23 HD1 PHE 23 40.857 9.010 1.865 190 HD2 PHE 23 HD2 PHE 23 36.849 8.618 0.377 191 HE1 PHE 23 HE1 PHE 23 40.942 11.341 1.023 192 HE2 PHE 23 HE2 PHE 23 36.931 10.948 -0.465 193 HZ PHE 23 HZ PHE 23 38.978 12.310 -0.143 194 H LEU 24 H LEU 24 37.977 4.166 1.263 195 HA LEU 24 HA LEU 24 39.542 2.933 3.256 196 HB2 LEU 24 1HB LEU 24 37.710 1.531 1.295 197 HB3 LEU 24 2HB LEU 24 38.244 0.922 2.857 198 HG LEU 24 HG LEU 24 36.606 3.443 2.461 199 HD11 LEU 24 1HD1 LEU 24 35.754 0.764 3.593 200 HD12 LEU 24 2HD1 LEU 24 35.417 1.279 1.940 201 HD13 LEU 24 3HD1 LEU 24 34.729 2.168 3.299 202 HD21 LEU 24 1HD2 LEU 24 36.296 3.142 4.971 203 HD22 LEU 24 2HD2 LEU 24 37.919 3.618 4.470 204 HD23 LEU 24 3HD2 LEU 24 37.586 1.941 4.905 205 H ILE 25 H ILE 25 39.624 2.628 -0.277 206 HA ILE 25 HA ILE 25 41.532 0.551 -0.415 207 HB ILE 25 HB ILE 25 41.252 2.894 -2.318 208 HG12 ILE 25 1HG1 ILE 25 39.953 0.155 -2.427 209 HG13 ILE 25 2HG1 ILE 25 39.125 1.613 -1.878 210 HG21 ILE 25 1HG2 ILE 25 42.348 0.092 -2.711 211 HG22 ILE 25 2HG2 ILE 25 43.320 1.560 -2.608 212 HG23 ILE 25 3HG2 ILE 25 42.211 1.332 -3.959 213 HD11 ILE 25 1HD1 ILE 25 40.248 1.054 -4.630 214 HD12 ILE 25 2HD1 ILE 25 39.760 2.666 -4.108 215 HD13 ILE 25 3HD1 ILE 25 38.569 1.369 -4.193 216 H LYS 26 H LYS 26 41.930 4.055 0.018 217 HA LYS 26 HA LYS 26 44.745 4.121 -0.101 218 HB2 LYS 26 1HB LYS 26 43.279 6.142 -0.006 219 HB3 LYS 26 2HB LYS 26 43.008 5.815 1.706 220 HG2 LYS 26 1HG LYS 26 45.460 5.922 2.093 221 HG3 LYS 26 2HG LYS 26 45.688 6.344 0.395 222 HD2 LYS 26 1HD LYS 26 44.192 8.325 0.744 223 HD3 LYS 26 2HD LYS 26 44.154 7.941 2.465 224 HE2 LYS 26 1HE LYS 26 46.533 8.268 2.669 225 HE3 LYS 26 2HE LYS 26 46.716 8.408 0.920 226 HZ1 LYS 26 1HZ LYS 26 46.005 10.519 0.927 227 HZ2 LYS 26 2HZ LYS 26 46.432 10.490 2.571 228 HZ3 LYS 26 3HZ LYS 26 44.818 10.241 2.107 229 H ILE 27 H ILE 27 42.564 3.246 2.550 230 HA ILE 27 HA ILE 27 44.515 3.040 4.577 231 HB ILE 27 HB ILE 27 42.047 1.313 4.256 232 HG12 ILE 27 1HG1 ILE 27 42.402 3.920 5.766 233 HG13 ILE 27 2HG1 ILE 27 41.630 3.798 4.184 234 HG21 ILE 27 1HG2 ILE 27 42.210 1.015 6.658 235 HG22 ILE 27 2HG2 ILE 27 43.584 2.117 6.741 236 HG23 ILE 27 3HG2 ILE 27 43.753 0.556 5.939 237 HD11 ILE 27 1HD1 ILE 27 40.112 2.013 5.293 238 HD12 ILE 27 2HD1 ILE 27 39.816 3.706 5.689 239 HD13 ILE 27 3HD1 ILE 27 40.692 2.676 6.821 240 H LEU 28 H LEU 28 43.541 0.748 2.052 241 HA LEU 28 HA LEU 28 45.133 -1.424 2.880 242 HB2 LEU 28 1HB LEU 28 44.542 -0.605 0.027 243 HB3 LEU 28 2HB LEU 28 45.046 -2.200 0.577 244 HG LEU 28 HG LEU 28 42.496 -0.806 1.446 245 HD11 LEU 28 1HD1 LEU 28 42.910 -3.129 -0.461 246 HD12 LEU 28 2HD1 LEU 28 42.485 -1.488 -0.946 247 HD13 LEU 28 3HD1 LEU 28 41.357 -2.442 0.018 248 HD21 LEU 28 1HD2 LEU 28 42.032 -3.288 2.133 249 HD22 LEU 28 2HD2 LEU 28 43.050 -2.297 3.177 250 HD23 LEU 28 3HD2 LEU 28 43.786 -3.456 2.069 251 H ALA 29 H ALA 29 45.969 1.474 1.039 252 HA ALA 29 HA ALA 29 48.667 0.842 0.509 253 HB1 ALA 29 1HB ALA 29 47.807 3.627 1.226 254 HB2 ALA 29 2HB ALA 29 47.223 2.871 -0.257 255 HB3 ALA 29 3HB ALA 29 48.954 3.098 -0.005 256 H ALA 30 H ALA 30 47.115 2.188 3.388 257 HA ALA 30 HA ALA 30 49.424 2.857 4.835 258 HB1 ALA 30 1HB ALA 30 46.917 1.713 6.067 259 HB2 ALA 30 2HB ALA 30 47.005 3.360 5.444 260 HB3 ALA 30 3HB ALA 30 48.047 2.864 6.778 261 H SER 31 H SER 31 47.745 -0.239 4.475 262 HA SER 31 HA SER 31 49.276 -1.751 6.289 263 HB2 SER 31 1HB SER 31 48.174 -2.684 3.628 264 HB3 SER 31 2HB SER 31 48.607 -3.698 5.000 265 HG SER 31 HG SER 31 46.292 -2.905 4.639 266 H ALA 32 H ALA 32 49.967 -0.722 2.968 267 HA ALA 32 HA ALA 32 52.279 -2.294 2.557 268 HB1 ALA 32 1HB ALA 32 52.693 -0.949 0.702 269 HB2 ALA 32 2HB ALA 32 52.063 0.501 1.486 270 HB3 ALA 32 3HB ALA 32 50.954 -0.746 0.914 271 H LEU 33 H LEU 33 51.834 0.913 4.039 272 HA LEU 33 HA LEU 33 54.542 1.460 4.576 273 HB2 LEU 33 1HB LEU 33 52.674 3.077 4.894 274 HB3 LEU 33 2HB LEU 33 52.166 2.164 6.315 275 HG LEU 33 HG LEU 33 54.502 2.512 7.244 276 HD11 LEU 33 1HD1 LEU 33 55.670 4.540 6.211 277 HD12 LEU 33 2HD1 LEU 33 54.614 4.315 4.816 278 HD13 LEU 33 3HD1 LEU 33 55.750 3.046 5.277 279 HD21 LEU 33 1HD2 LEU 33 54.043 4.858 7.914 280 HD22 LEU 33 2HD2 LEU 33 52.590 3.863 7.999 281 HD23 LEU 33 3HD2 LEU 33 52.823 4.969 6.646 282 H TRP 34 H TRP 34 52.183 -0.522 6.339 283 HA TRP 34 HA TRP 34 53.775 -1.171 8.565 284 HB2 TRP 34 1HB TRP 34 51.314 -1.795 7.977 285 HB3 TRP 34 2HB TRP 34 52.033 -3.207 7.226 286 HD1 TRP 34 HD1 TRP 34 53.170 -5.006 8.824 287 HE1 TRP 34 HE1 TRP 34 52.919 -5.457 11.349 288 HE3 TRP 34 HE3 TRP 34 50.934 -0.652 10.279 289 HZ2 TRP 34 HZ2 TRP 34 51.898 -4.144 13.682 290 HZ3 TRP 34 HZ3 TRP 34 50.332 -0.279 12.652 291 HH2 TRP 34 HH2 TRP 34 50.811 -2.015 14.354 292 H ALA 35 H ALA 35 53.779 -2.465 5.275 293 HA ALA 35 HA ALA 35 55.669 -4.521 5.644 294 HB1 ALA 35 1HB ALA 35 54.268 -3.772 3.535 295 HB2 ALA 35 2HB ALA 35 55.802 -4.621 3.344 296 HB3 ALA 35 3HB ALA 35 55.735 -2.868 3.157 297 H ALA 36 H ALA 36 56.091 -1.049 5.122 298 HA ALA 36 HA ALA 36 58.888 -1.022 4.830 299 HB1 ALA 36 1HB ALA 36 57.165 0.915 4.621 300 HB2 ALA 36 2HB ALA 36 58.783 1.281 5.221 301 HB3 ALA 36 3HB ALA 36 57.439 1.127 6.351 302 H ALA 37 H ALA 37 56.866 -1.038 7.740 303 HA ALA 37 HA ALA 37 58.951 -0.831 9.634 304 HB1 ALA 37 1HB ALA 37 57.362 -1.356 11.233 305 HB2 ALA 37 2HB ALA 37 56.534 -2.507 10.184 306 HB3 ALA 37 3HB ALA 37 56.343 -0.775 9.916 307 H TRP 38 H TRP 38 57.514 -3.654 8.050 308 HA TRP 38 HA TRP 38 58.889 -5.659 9.415 309 HB2 TRP 38 1HB TRP 38 57.750 -5.502 6.655 310 HB3 TRP 38 2HB TRP 38 58.670 -6.908 7.151 311 HD1 TRP 38 HD1 TRP 38 55.298 -5.345 7.365 312 HE1 TRP 38 HE1 TRP 38 53.747 -6.795 8.823 313 HE3 TRP 38 HE3 TRP 38 58.729 -8.532 9.400 314 HZ2 TRP 38 HZ2 TRP 38 53.936 -9.018 10.621 315 HZ3 TRP 38 HZ3 TRP 38 58.019 -10.302 10.978 316 HH2 TRP 38 HH2 TRP 38 55.632 -10.551 11.592 317 H HIS 39 H HIS 39 60.050 -3.594 6.787 318 HA HIS 39 HA HIS 39 62.591 -4.940 6.618 319 HB2 HIS 39 1HB HIS 39 61.776 -2.125 5.864 320 HB3 HIS 39 2HB HIS 39 63.327 -2.848 5.484 321 HD1 HIS 39 HD1 HIS 39 61.535 -1.861 3.210 322 HD2 HIS 39 HD2 HIS 39 61.436 -5.771 4.655 323 HE1 HIS 39 HE1 HIS 39 60.580 -3.287 1.350 324 H GLY 40 H GLY 40 61.843 -1.657 7.815 325 HA2 GLY 40 1HA GLY 40 62.983 -2.442 10.403 326 HA3 GLY 40 2HA GLY 40 63.582 -0.968 9.643 327 H GLN 41 H GLN 41 61.273 -2.160 11.766 328 HA GLN 41 HA GLN 41 59.225 -0.341 11.657 329 HB2 GLN 41 1HB GLN 41 59.506 -2.102 13.401 330 HB3 GLN 41 2HB GLN 41 60.722 -1.088 14.179 331 HG2 GLN 41 1HG GLN 41 59.073 0.700 14.481 332 HG3 GLN 41 2HG GLN 41 57.855 -0.259 13.648 333 HE21 GLN 41 1HE2 GLN 41 57.178 0.518 16.186 334 HE22 GLN 41 2HE2 GLN 41 57.292 -0.780 17.273 335 H LYS 42 H LYS 42 58.885 1.786 12.275 336 HA LYS 42 HA LYS 42 60.926 3.605 11.782 337 HB2 LYS 42 1HB LYS 42 59.394 5.318 12.694 338 HB3 LYS 42 2HB LYS 42 58.566 4.207 11.604 339 HG2 LYS 42 1HG LYS 42 57.991 2.862 13.751 340 HG3 LYS 42 2HG LYS 42 58.427 4.338 14.613 341 HD2 LYS 42 1HD LYS 42 56.808 5.581 13.121 342 HD3 LYS 42 2HD LYS 42 56.269 4.015 12.513 343 HE2 LYS 42 1HE LYS 42 55.991 3.432 15.057 344 HE3 LYS 42 2HE LYS 42 55.955 5.182 15.262 345 HZ1 LYS 42 1HZ LYS 42 54.065 5.375 13.955 346 HZ2 LYS 42 2HZ LYS 42 53.760 3.971 14.861 347 HZ3 LYS 42 3HZ LYS 42 54.264 3.849 13.244 348 HA PRO 43 HA PRO 43 63.268 3.690 15.591 349 HB2 PRO 43 1HB PRO 43 63.378 6.654 15.326 350 HB3 PRO 43 2HB PRO 43 64.703 5.483 15.475 351 HG2 PRO 43 1HG PRO 43 64.168 6.672 13.165 352 HG3 PRO 43 2HG PRO 43 64.692 4.978 13.235 353 HD2 PRO 43 1HD PRO 43 61.945 6.076 12.761 354 HD3 PRO 43 2HD PRO 43 62.728 4.643 12.054 355 H GLY 44 H GLY 44 62.842 3.970 17.775 356 HA2 GLY 44 1HA GLY 44 60.241 4.548 18.627 357 HA3 GLY 44 2HA GLY 44 61.650 4.469 19.676 358 H THR 45 H THR 45 62.996 6.696 18.203 359 HA THR 45 HA THR 45 62.198 8.816 19.844 360 HB THR 45 HB THR 45 64.405 8.783 18.883 361 HG1 THR 45 HG1 THR 45 63.400 10.818 19.287 362 HG21 THR 45 1HG2 THR 45 62.878 8.674 16.313 363 HG22 THR 45 2HG2 THR 45 64.338 7.809 16.789 364 HG23 THR 45 3HG2 THR 45 64.431 9.508 16.328 365 H HIS 46 H HIS 46 60.888 7.806 16.775 366 HA HIS 46 HA HIS 46 59.432 10.349 16.494 367 HB2 HIS 46 1HB HIS 46 60.645 9.438 14.530 368 HB3 HIS 46 2HB HIS 46 59.630 8.009 14.594 369 HD1 HIS 46 HD1 HIS 46 59.050 11.787 14.441 370 HD2 HIS 46 HD2 HIS 46 57.534 8.251 12.834 371 HE1 HIS 46 HE1 HIS 46 57.211 12.461 12.837 Start of MODEL 13 1 H ARG 1 3H ARG 1 28.946 33.014 12.849 2 HA ARG 1 HA ARG 1 28.278 32.571 10.593 3 HB2 ARG 1 1HB ARG 1 29.787 30.293 11.910 4 HB3 ARG 1 2HB ARG 1 29.778 30.624 10.178 5 HG2 ARG 1 1HG ARG 1 30.715 32.874 10.611 6 HG3 ARG 1 2HG ARG 1 30.757 32.516 12.337 7 HD2 ARG 1 1HD ARG 1 32.960 32.085 11.462 8 HD3 ARG 1 2HD ARG 1 32.213 30.528 11.809 9 HE ARG 1 HE ARG 1 31.587 31.002 9.184 10 HH11 ARG 1 1HH1 ARG 1 34.614 30.876 10.959 11 HH12 ARG 1 2HH1 ARG 1 35.515 30.343 9.580 12 HH21 ARG 1 1HH2 ARG 1 32.800 30.316 7.444 13 HH22 ARG 1 2HH2 ARG 1 34.500 30.031 7.614 14 H SER 2 H SER 2 25.895 31.956 11.959 15 HA SER 2 HA SER 2 25.013 29.312 11.785 16 HB2 SER 2 1HB SER 2 23.389 31.826 11.355 17 HB3 SER 2 2HB SER 2 22.757 30.237 11.771 18 HG SER 2 HG SER 2 23.856 32.146 13.351 19 H LEU 3 H LEU 3 25.502 31.646 9.225 20 HA LEU 3 HA LEU 3 23.740 30.663 7.292 21 HB2 LEU 3 1HB LEU 3 26.339 32.148 7.189 22 HB3 LEU 3 2HB LEU 3 25.650 31.536 5.693 23 HG LEU 3 HG LEU 3 25.009 33.889 6.171 24 HD11 LEU 3 1HD1 LEU 3 22.792 33.660 5.452 25 HD12 LEU 3 2HD1 LEU 3 22.536 32.194 6.398 26 HD13 LEU 3 3HD1 LEU 3 23.538 32.142 4.949 27 HD21 LEU 3 1HD2 LEU 3 23.528 34.452 7.985 28 HD22 LEU 3 2HD2 LEU 3 24.910 33.603 8.679 29 HD23 LEU 3 3HD2 LEU 3 23.378 32.760 8.459 30 H LEU 4 H LEU 4 26.731 29.272 8.435 31 HA LEU 4 HA LEU 4 27.478 27.748 6.203 32 HB2 LEU 4 1HB LEU 4 28.843 28.076 8.258 33 HB3 LEU 4 2HB LEU 4 27.760 26.977 9.112 34 HG LEU 4 HG LEU 4 28.280 25.244 7.338 35 HD11 LEU 4 1HD1 LEU 4 29.114 26.504 5.523 36 HD12 LEU 4 2HD1 LEU 4 30.556 25.744 6.199 37 HD13 LEU 4 3HD1 LEU 4 30.200 27.435 6.555 38 HD21 LEU 4 1HD2 LEU 4 30.543 26.344 9.034 39 HD22 LEU 4 2HD2 LEU 4 30.550 24.749 8.281 40 HD23 LEU 4 3HD2 LEU 4 29.357 25.133 9.521 41 H GLU 5 H GLU 5 24.904 27.252 8.511 42 HA GLU 5 HA GLU 5 24.504 24.471 7.764 43 HB2 GLU 5 1HB GLU 5 22.945 26.300 9.595 44 HB3 GLU 5 2HB GLU 5 22.617 24.581 9.367 45 HG2 GLU 5 1HG GLU 5 24.944 24.073 10.089 46 HG3 GLU 5 2HG GLU 5 25.200 25.785 10.397 47 H GLY 6 H GLY 6 23.411 27.484 6.547 48 HA2 GLY 6 1HA GLY 6 20.849 26.424 5.637 49 HA3 GLY 6 2HA GLY 6 21.398 28.083 5.496 50 H GLU 7 H GLU 7 23.853 26.016 4.364 51 HA GLU 7 HA GLU 7 23.201 26.742 1.613 52 HB2 GLU 7 1HB GLU 7 25.521 26.987 2.554 53 HB3 GLU 7 2HB GLU 7 25.607 25.228 2.656 54 HG2 GLU 7 1HG GLU 7 25.152 25.091 0.216 55 HG3 GLU 7 2HG GLU 7 25.157 26.847 0.133 56 H ILE 8 H ILE 8 22.947 25.230 -0.068 57 HA ILE 8 HA ILE 8 21.561 22.868 0.788 58 HB ILE 8 HB ILE 8 21.053 22.552 -1.596 59 HG12 ILE 8 1HG1 ILE 8 21.894 24.728 -2.977 60 HG13 ILE 8 2HG1 ILE 8 23.253 24.563 -1.871 61 HG21 ILE 8 1HG2 ILE 8 20.778 25.399 -0.593 62 HG22 ILE 8 2HG2 ILE 8 19.678 24.064 -0.252 63 HG23 ILE 8 3HG2 ILE 8 19.826 24.687 -1.895 64 HD11 ILE 8 1HD1 ILE 8 23.078 23.249 -4.229 65 HD12 ILE 8 2HD1 ILE 8 22.335 22.049 -3.174 66 HD13 ILE 8 3HD1 ILE 8 23.969 22.623 -2.846 67 HA PRO 9 HA PRO 9 25.091 20.101 0.229 68 HB2 PRO 9 1HB PRO 9 23.789 17.738 -0.272 69 HB3 PRO 9 2HB PRO 9 23.987 18.422 1.352 70 HG2 PRO 9 1HG PRO 9 21.628 18.498 -0.454 71 HG3 PRO 9 2HG PRO 9 21.701 18.282 1.305 72 HD2 PRO 9 1HD PRO 9 21.038 20.660 0.162 73 HD3 PRO 9 2HD PRO 9 21.879 20.548 1.723 74 H PHE 10 H PHE 10 26.281 19.267 -1.516 75 HA PHE 10 HA PHE 10 25.692 20.129 -4.095 76 HB2 PHE 10 1HB PHE 10 27.445 17.816 -3.260 77 HB3 PHE 10 2HB PHE 10 27.476 18.597 -4.831 78 HD1 PHE 10 HD1 PHE 10 27.888 21.206 -4.787 79 HD2 PHE 10 HD2 PHE 10 28.904 18.519 -1.594 80 HE1 PHE 10 HE1 PHE 10 29.520 22.859 -3.916 81 HE2 PHE 10 HE2 PHE 10 30.536 20.171 -0.723 82 HZ PHE 10 HZ PHE 10 30.844 22.341 -1.884 83 HA PRO 11 HA PRO 11 22.528 17.436 -5.501 84 HB2 PRO 11 1HB PRO 11 23.932 17.080 -8.096 85 HB3 PRO 11 2HB PRO 11 22.300 17.687 -7.760 86 HG2 PRO 11 1HG PRO 11 24.283 19.307 -8.493 87 HG3 PRO 11 2HG PRO 11 23.026 19.814 -7.349 88 HD2 PRO 11 1HD PRO 11 25.865 19.060 -6.805 89 HD3 PRO 11 2HD PRO 11 24.827 20.251 -5.987 90 HA PRO 12 HA PRO 12 25.160 13.363 -6.402 91 HB2 PRO 12 1HB PRO 12 27.549 14.326 -4.875 92 HB3 PRO 12 2HB PRO 12 27.465 13.162 -6.210 93 HG2 PRO 12 1HG PRO 12 28.335 15.616 -6.628 94 HG3 PRO 12 2HG PRO 12 27.283 14.815 -7.813 95 HD2 PRO 12 1HD PRO 12 26.606 16.978 -5.863 96 HD3 PRO 12 2HD PRO 12 25.968 16.688 -7.497 97 H THR 13 H THR 13 24.660 11.809 -4.877 98 HA THR 13 HA THR 13 24.792 12.583 -2.026 99 HB THR 13 HB THR 13 22.547 11.034 -3.336 100 HG1 THR 13 HG1 THR 13 21.800 12.956 -3.631 101 HG21 THR 13 1HG2 THR 13 22.958 11.953 -0.476 102 HG22 THR 13 2HG2 THR 13 23.064 10.284 -1.039 103 HG23 THR 13 3HG2 THR 13 21.523 11.139 -1.101 104 H SER 14 H SER 14 23.681 9.432 -3.225 105 HA SER 14 HA SER 14 25.292 8.069 -1.368 106 HB2 SER 14 1HB SER 14 24.080 6.982 -3.920 107 HB3 SER 14 2HB SER 14 24.618 6.038 -2.533 108 HG SER 14 HG SER 14 22.278 6.700 -2.745 109 H ILE 15 H ILE 15 25.875 8.945 -4.760 110 HA ILE 15 HA ILE 15 28.107 7.257 -5.138 111 HB ILE 15 HB ILE 15 28.718 8.656 -7.009 112 HG12 ILE 15 1HG1 ILE 15 26.622 10.624 -6.044 113 HG13 ILE 15 2HG1 ILE 15 28.359 10.856 -5.845 114 HG21 ILE 15 1HG2 ILE 15 26.650 8.531 -8.266 115 HG22 ILE 15 2HG2 ILE 15 25.700 8.536 -6.780 116 HG23 ILE 15 3HG2 ILE 15 26.724 7.153 -7.168 117 HD11 ILE 15 1HD1 ILE 15 26.719 10.902 -8.353 118 HD12 ILE 15 2HD1 ILE 15 28.399 10.376 -8.454 119 HD13 ILE 15 3HD1 ILE 15 28.016 11.984 -7.850 120 H LEU 16 H LEU 16 27.827 10.434 -3.593 121 HA LEU 16 HA LEU 16 30.591 10.927 -3.271 122 HB2 LEU 16 1HB LEU 16 28.323 11.604 -1.380 123 HB3 LEU 16 2HB LEU 16 29.937 12.311 -1.344 124 HG LEU 16 HG LEU 16 28.036 12.478 -3.700 125 HD11 LEU 16 1HD1 LEU 16 28.647 14.333 -1.404 126 HD12 LEU 16 2HD1 LEU 16 27.077 13.866 -2.058 127 HD13 LEU 16 3HD1 LEU 16 28.115 14.973 -2.958 128 HD21 LEU 16 1HD2 LEU 16 29.749 14.364 -4.257 129 HD22 LEU 16 2HD2 LEU 16 30.220 12.693 -4.566 130 HD23 LEU 16 3HD2 LEU 16 30.807 13.523 -3.125 131 H LEU 17 H LEU 17 28.316 8.953 -1.380 132 HA LEU 17 HA LEU 17 30.116 8.235 0.673 133 HB2 LEU 17 1HB LEU 17 27.957 6.473 -0.506 134 HB3 LEU 17 2HB LEU 17 28.712 6.298 1.074 135 HG LEU 17 HG LEU 17 27.135 8.731 0.190 136 HD11 LEU 17 1HD1 LEU 17 25.627 6.854 0.439 137 HD12 LEU 17 2HD1 LEU 17 25.473 7.863 1.878 138 HD13 LEU 17 3HD1 LEU 17 26.408 6.368 1.945 139 HD21 LEU 17 1HD2 LEU 17 28.639 9.454 1.858 140 HD22 LEU 17 2HD2 LEU 17 28.555 7.921 2.724 141 HD23 LEU 17 3HD2 LEU 17 27.192 9.040 2.778 142 H LEU 18 H LEU 18 29.709 6.944 -2.595 143 HA LEU 18 HA LEU 18 31.468 4.753 -2.371 144 HB2 LEU 18 1HB LEU 18 29.961 5.345 -4.329 145 HB3 LEU 18 2HB LEU 18 31.201 6.493 -4.825 146 HG LEU 18 HG LEU 18 32.055 3.683 -4.220 147 HD11 LEU 18 1HD1 LEU 18 30.883 4.470 -6.899 148 HD12 LEU 18 2HD1 LEU 18 29.981 3.568 -5.681 149 HD13 LEU 18 3HD1 LEU 18 31.438 2.875 -6.392 150 HD21 LEU 18 1HD2 LEU 18 33.418 4.363 -6.398 151 HD22 LEU 18 2HD2 LEU 18 33.884 4.993 -4.822 152 HD23 LEU 18 3HD2 LEU 18 32.938 5.992 -5.923 153 H LEU 19 H LEU 19 32.107 8.192 -2.977 154 HA LEU 19 HA LEU 19 34.896 8.017 -3.337 155 HB2 LEU 19 1HB LEU 19 33.396 10.067 -3.568 156 HB3 LEU 19 2HB LEU 19 33.520 10.234 -1.819 157 HG LEU 19 HG LEU 19 36.057 9.890 -3.379 158 HD11 LEU 19 1HD1 LEU 19 34.559 12.519 -3.148 159 HD12 LEU 19 2HD1 LEU 19 34.780 11.603 -4.639 160 HD13 LEU 19 3HD1 LEU 19 36.176 12.302 -3.820 161 HD21 LEU 19 1HD2 LEU 19 35.145 11.123 -0.801 162 HD22 LEU 19 2HD2 LEU 19 36.607 11.752 -1.558 163 HD23 LEU 19 3HD2 LEU 19 36.512 10.054 -1.103 164 H ALA 20 H ALA 20 32.941 8.024 -0.388 165 HA ALA 20 HA ALA 20 35.041 8.107 1.487 166 HB1 ALA 20 1HB ALA 20 32.406 8.094 1.771 167 HB2 ALA 20 2HB ALA 20 33.462 7.529 3.066 168 HB3 ALA 20 3HB ALA 20 32.669 6.366 2.004 169 H CYS 21 H CYS 21 33.618 5.389 -0.294 170 HA CYS 21 HA CYS 21 35.055 3.319 0.964 171 HB2 CYS 21 1HB CYS 21 34.228 3.452 -1.946 172 HB3 CYS 21 2HB CYS 21 34.594 1.996 -1.023 173 HG CYS 21 HG CYS 21 32.260 3.786 -0.015 174 H ILE 22 H ILE 22 35.927 5.452 -1.742 175 HA ILE 22 HA ILE 22 38.410 4.265 -2.355 176 HB ILE 22 HB ILE 22 37.677 7.203 -2.485 177 HG12 ILE 22 1HG1 ILE 22 37.504 5.062 -4.626 178 HG13 ILE 22 2HG1 ILE 22 36.120 5.635 -3.695 179 HG21 ILE 22 1HG2 ILE 22 39.429 7.341 -4.180 180 HG22 ILE 22 2HG2 ILE 22 39.746 5.612 -4.032 181 HG23 ILE 22 3HG2 ILE 22 40.118 6.694 -2.690 182 HD11 ILE 22 1HD1 ILE 22 36.672 7.973 -4.484 183 HD12 ILE 22 2HD1 ILE 22 36.151 6.874 -5.762 184 HD13 ILE 22 3HD1 ILE 22 37.862 7.255 -5.570 185 H PHE 23 H PHE 23 37.498 6.581 0.182 186 HA PHE 23 HA PHE 23 40.099 7.159 1.100 187 HB2 PHE 23 1HB PHE 23 37.989 8.309 1.821 188 HB3 PHE 23 2HB PHE 23 37.634 6.913 2.820 189 HD1 PHE 23 HD1 PHE 23 39.914 9.778 2.324 190 HD2 PHE 23 HD2 PHE 23 38.794 6.528 4.900 191 HE1 PHE 23 HE1 PHE 23 41.289 10.748 4.144 192 HE2 PHE 23 HE2 PHE 23 40.168 7.500 6.722 193 HZ PHE 23 HZ PHE 23 41.416 9.610 6.344 194 H LEU 24 H LEU 24 37.925 4.447 1.839 195 HA LEU 24 HA LEU 24 39.543 3.265 3.829 196 HB2 LEU 24 1HB LEU 24 37.540 2.123 1.900 197 HB3 LEU 24 2HB LEU 24 38.511 1.053 2.893 198 HG LEU 24 HG LEU 24 36.302 1.566 3.894 199 HD11 LEU 24 1HD1 LEU 24 38.593 1.240 5.185 200 HD12 LEU 24 2HD1 LEU 24 37.105 1.630 6.048 201 HD13 LEU 24 3HD1 LEU 24 38.278 2.898 5.695 202 HD21 LEU 24 1HD2 LEU 24 37.366 4.393 4.156 203 HD22 LEU 24 2HD2 LEU 24 35.827 3.791 4.773 204 HD23 LEU 24 3HD2 LEU 24 36.101 3.889 3.034 205 H ILE 25 H ILE 25 39.707 3.088 0.293 206 HA ILE 25 HA ILE 25 41.720 1.120 0.129 207 HB ILE 25 HB ILE 25 41.330 3.482 -1.727 208 HG12 ILE 25 1HG1 ILE 25 40.189 0.675 -1.893 209 HG13 ILE 25 2HG1 ILE 25 39.276 2.076 -1.333 210 HG21 ILE 25 1HG2 ILE 25 42.571 0.752 -2.186 211 HG22 ILE 25 2HG2 ILE 25 43.477 2.254 -2.000 212 HG23 ILE 25 3HG2 ILE 25 42.407 2.036 -3.385 213 HD11 ILE 25 1HD1 ILE 25 39.827 3.198 -3.534 214 HD12 ILE 25 2HD1 ILE 25 38.772 1.792 -3.671 215 HD13 ILE 25 3HD1 ILE 25 40.482 1.655 -4.078 216 H LYS 26 H LYS 26 41.933 4.619 0.702 217 HA LYS 26 HA LYS 26 44.742 4.830 0.556 218 HB2 LYS 26 1HB LYS 26 42.828 6.361 2.331 219 HB3 LYS 26 2HB LYS 26 44.507 6.800 2.034 220 HG2 LYS 26 1HG LYS 26 44.077 7.075 -0.339 221 HG3 LYS 26 2HG LYS 26 42.425 6.490 -0.145 222 HD2 LYS 26 1HD LYS 26 42.340 8.902 -0.228 223 HD3 LYS 26 2HD LYS 26 42.013 8.411 1.434 224 HE2 LYS 26 1HE LYS 26 44.204 8.995 2.150 225 HE3 LYS 26 2HE LYS 26 44.797 9.111 0.493 226 HZ1 LYS 26 1HZ LYS 26 43.432 11.066 2.084 227 HZ2 LYS 26 2HZ LYS 26 42.718 10.855 0.556 228 HZ3 LYS 26 3HZ LYS 26 44.361 11.271 0.678 229 H ILE 27 H ILE 27 42.633 3.769 3.203 230 HA ILE 27 HA ILE 27 44.652 3.479 5.156 231 HB ILE 27 HB ILE 27 42.179 1.764 4.812 232 HG12 ILE 27 1HG1 ILE 27 42.623 4.268 6.468 233 HG13 ILE 27 2HG1 ILE 27 41.763 4.238 4.929 234 HG21 ILE 27 1HG2 ILE 27 42.433 1.301 7.186 235 HG22 ILE 27 2HG2 ILE 27 43.830 2.374 7.282 236 HG23 ILE 27 3HG2 ILE 27 43.935 0.869 6.367 237 HD11 ILE 27 1HD1 ILE 27 40.949 3.073 7.573 238 HD12 ILE 27 2HD1 ILE 27 40.349 2.342 6.084 239 HD13 ILE 27 3HD1 ILE 27 40.000 4.034 6.439 240 H LEU 28 H LEU 28 43.656 1.335 2.512 241 HA LEU 28 HA LEU 28 45.301 -0.853 3.181 242 HB2 LEU 28 1HB LEU 28 44.690 0.086 0.371 243 HB3 LEU 28 2HB LEU 28 45.184 -1.526 0.866 244 HG LEU 28 HG LEU 28 42.633 -0.159 1.771 245 HD11 LEU 28 1HD1 LEU 28 43.150 -2.314 -0.300 246 HD12 LEU 28 2HD1 LEU 28 42.492 -0.705 -0.594 247 HD13 LEU 28 3HD1 LEU 28 41.551 -1.891 0.310 248 HD21 LEU 28 1HD2 LEU 28 43.238 -1.721 3.447 249 HD22 LEU 28 2HD2 LEU 28 43.880 -2.865 2.268 250 HD23 LEU 28 3HD2 LEU 28 42.138 -2.625 2.406 251 H ALA 29 H ALA 29 46.066 2.184 1.549 252 HA ALA 29 HA ALA 29 48.750 1.618 0.896 253 HB1 ALA 29 1HB ALA 29 47.890 4.321 1.883 254 HB2 ALA 29 2HB ALA 29 47.289 3.700 0.347 255 HB3 ALA 29 3HB ALA 29 49.022 3.918 0.592 256 H ALA 30 H ALA 30 47.275 2.757 3.913 257 HA ALA 30 HA ALA 30 49.636 3.155 5.389 258 HB1 ALA 30 1HB ALA 30 48.281 3.276 7.255 259 HB2 ALA 30 2HB ALA 30 47.248 1.948 6.723 260 HB3 ALA 30 3HB ALA 30 47.085 3.543 5.987 261 H SER 31 H SER 31 47.766 0.211 4.760 262 HA SER 31 HA SER 31 49.277 -1.573 6.325 263 HB2 SER 31 1HB SER 31 47.127 -2.093 5.091 264 HB3 SER 31 2HB SER 31 48.087 -2.208 3.622 265 HG SER 31 HG SER 31 48.554 -4.152 4.252 266 H ALA 32 H ALA 32 49.908 -0.182 3.127 267 HA ALA 32 HA ALA 32 52.084 -1.834 2.412 268 HB1 ALA 32 1HB ALA 32 52.019 1.093 1.740 269 HB2 ALA 32 2HB ALA 32 50.832 -0.004 1.037 270 HB3 ALA 32 3HB ALA 32 52.552 -0.264 0.747 271 H LEU 33 H LEU 33 51.923 1.164 4.325 272 HA LEU 33 HA LEU 33 54.686 1.464 4.777 273 HB2 LEU 33 1HB LEU 33 52.418 2.122 6.672 274 HB3 LEU 33 2HB LEU 33 54.055 2.773 6.745 275 HG LEU 33 HG LEU 33 52.160 3.125 4.402 276 HD11 LEU 33 1HD1 LEU 33 51.301 4.421 6.219 277 HD12 LEU 33 2HD1 LEU 33 52.221 5.545 5.220 278 HD13 LEU 33 3HD1 LEU 33 52.917 4.922 6.716 279 HD21 LEU 33 1HD2 LEU 33 54.399 3.255 3.594 280 HD22 LEU 33 2HD2 LEU 33 54.947 4.120 5.031 281 HD23 LEU 33 3HD2 LEU 33 53.912 4.929 3.855 282 H TRP 34 H TRP 34 52.263 -0.529 6.447 283 HA TRP 34 HA TRP 34 53.939 -1.556 8.467 284 HB2 TRP 34 1HB TRP 34 51.435 -1.928 8.164 285 HB3 TRP 34 2HB TRP 34 51.864 -3.183 7.017 286 HD1 TRP 34 HD1 TRP 34 51.815 -2.372 10.716 287 HE1 TRP 34 HE1 TRP 34 52.298 -4.520 12.054 288 HE3 TRP 34 HE3 TRP 34 53.133 -5.507 6.906 289 HZ2 TRP 34 HZ2 TRP 34 53.134 -7.218 11.573 290 HZ3 TRP 34 HZ3 TRP 34 53.766 -7.854 7.372 291 HH2 TRP 34 HH2 TRP 34 53.770 -8.715 9.695 292 H ALA 35 H ALA 35 53.629 -2.441 5.061 293 HA ALA 35 HA ALA 35 55.317 -4.693 5.069 294 HB1 ALA 35 1HB ALA 35 55.403 -2.766 2.784 295 HB2 ALA 35 2HB ALA 35 53.881 -3.575 3.156 296 HB3 ALA 35 3HB ALA 35 55.313 -4.528 2.766 297 H ALA 36 H ALA 36 56.059 -1.236 4.928 298 HA ALA 36 HA ALA 36 58.811 -1.440 4.386 299 HB1 ALA 36 1HB ALA 36 57.740 0.642 6.266 300 HB2 ALA 36 2HB ALA 36 57.271 0.660 4.565 301 HB3 ALA 36 3HB ALA 36 58.970 0.802 5.013 302 H ALA 37 H ALA 37 57.044 -1.547 7.461 303 HA ALA 37 HA ALA 37 59.288 -1.868 9.152 304 HB1 ALA 37 1HB ALA 37 56.638 -3.208 9.646 305 HB2 ALA 37 2HB ALA 37 56.828 -1.460 9.784 306 HB3 ALA 37 3HB ALA 37 57.767 -2.534 10.820 307 H TRP 38 H TRP 38 57.350 -4.231 7.373 308 HA TRP 38 HA TRP 38 58.490 -6.586 8.322 309 HB2 TRP 38 1HB TRP 38 56.498 -6.349 6.801 310 HB3 TRP 38 2HB TRP 38 57.623 -6.119 5.477 311 HD1 TRP 38 HD1 TRP 38 58.717 -8.212 4.438 312 HE1 TRP 38 HE1 TRP 38 58.483 -10.745 4.850 313 HE3 TRP 38 HE3 TRP 38 56.064 -8.155 8.800 314 HZ2 TRP 38 HZ2 TRP 38 57.322 -12.517 6.778 315 HZ3 TRP 38 HZ3 TRP 38 55.408 -10.273 9.900 316 HH2 TRP 38 HH2 TRP 38 56.032 -12.451 8.899 317 H HIS 39 H HIS 39 59.767 -4.331 5.917 318 HA HIS 39 HA HIS 39 62.018 -6.005 5.271 319 HB2 HIS 39 1HB HIS 39 61.560 -3.035 4.944 320 HB3 HIS 39 2HB HIS 39 62.971 -3.884 4.341 321 HD1 HIS 39 HD1 HIS 39 59.427 -3.140 3.587 322 HD2 HIS 39 HD2 HIS 39 62.376 -5.712 2.151 323 HE1 HIS 39 HE1 HIS 39 58.595 -4.008 1.360 324 H GLY 40 H GLY 40 61.939 -2.847 6.965 325 HA2 GLY 40 1HA GLY 40 63.254 -4.167 9.237 326 HA3 GLY 40 2HA GLY 40 63.997 -2.709 8.586 327 H GLN 41 H GLN 41 61.738 -3.858 10.829 328 HA GLN 41 HA GLN 41 60.284 -1.614 11.443 329 HB2 GLN 41 1HB GLN 41 61.854 -3.373 13.342 330 HB3 GLN 41 2HB GLN 41 60.600 -2.235 13.835 331 HG2 GLN 41 1HG GLN 41 58.944 -3.422 12.490 332 HG3 GLN 41 2HG GLN 41 60.182 -4.523 11.893 333 HE21 GLN 41 1HE2 GLN 41 57.877 -5.477 13.310 334 HE22 GLN 41 2HE2 GLN 41 58.396 -6.120 14.792 335 H LYS 42 H LYS 42 60.672 0.341 12.523 336 HA LYS 42 HA LYS 42 63.028 1.683 11.910 337 HB2 LYS 42 1HB LYS 42 60.942 2.253 14.022 338 HB3 LYS 42 2HB LYS 42 62.245 3.372 13.617 339 HG2 LYS 42 1HG LYS 42 61.484 3.468 11.293 340 HG3 LYS 42 2HG LYS 42 60.215 2.292 11.642 341 HD2 LYS 42 1HD LYS 42 59.467 3.972 13.477 342 HD3 LYS 42 2HD LYS 42 60.445 5.141 12.589 343 HE2 LYS 42 1HE LYS 42 59.171 4.650 10.533 344 HE3 LYS 42 2HE LYS 42 58.185 3.489 11.424 345 HZ1 LYS 42 1HZ LYS 42 56.946 5.440 11.451 346 HZ2 LYS 42 2HZ LYS 42 58.303 6.424 11.731 347 HZ3 LYS 42 3HZ LYS 42 57.699 5.432 12.972 348 HA PRO 43 HA PRO 43 65.978 0.218 14.885 349 HB2 PRO 43 1HB PRO 43 66.882 3.020 15.317 350 HB3 PRO 43 2HB PRO 43 67.807 1.599 14.795 351 HG2 PRO 43 1HG PRO 43 67.152 3.550 13.104 352 HG3 PRO 43 2HG PRO 43 67.220 1.851 12.600 353 HD2 PRO 43 1HD PRO 43 64.824 3.555 13.139 354 HD3 PRO 43 2HD PRO 43 65.042 2.250 11.952 355 H GLY 44 H GLY 44 66.114 -0.084 17.090 356 HA2 GLY 44 1HA GLY 44 64.053 0.762 18.778 357 HA3 GLY 44 2HA GLY 44 65.579 0.079 19.319 358 H THR 45 H THR 45 67.101 2.331 18.024 359 HA THR 45 HA THR 45 67.381 3.988 20.258 360 HB THR 45 HB THR 45 68.720 5.436 18.803 361 HG1 THR 45 HG1 THR 45 68.829 4.700 16.555 362 HG21 THR 45 1HG2 THR 45 69.155 2.543 18.034 363 HG22 THR 45 2HG2 THR 45 69.545 3.179 19.632 364 HG23 THR 45 3HG2 THR 45 70.373 3.808 18.207 365 H HIS 46 H HIS 46 65.095 4.213 17.626 366 HA HIS 46 HA HIS 46 64.522 6.949 17.669 367 HB2 HIS 46 1HB HIS 46 62.393 6.368 16.684 368 HB3 HIS 46 2HB HIS 46 63.656 5.376 15.986 369 HD1 HIS 46 HD1 HIS 46 63.414 3.650 18.910 370 HD2 HIS 46 HD2 HIS 46 60.644 4.158 15.836 371 HE1 HIS 46 HE1 HIS 46 61.785 1.722 19.091 Start of MODEL 14 1 H ARG 1 3H ARG 1 11.843 12.569 15.768 2 HA ARG 1 HA ARG 1 10.736 14.143 14.115 3 HB2 ARG 1 1HB ARG 1 13.083 15.800 15.089 4 HB3 ARG 1 2HB ARG 1 12.122 16.158 13.652 5 HG2 ARG 1 1HG ARG 1 10.086 16.275 15.085 6 HG3 ARG 1 2HG ARG 1 11.102 16.029 16.506 7 HD2 ARG 1 1HD ARG 1 12.416 18.066 15.823 8 HD3 ARG 1 2HD ARG 1 11.218 18.350 14.565 9 HE ARG 1 HE ARG 1 10.853 18.697 17.439 10 HH11 ARG 1 1HH1 ARG 1 9.298 18.541 14.293 11 HH12 ARG 1 2HH1 ARG 1 7.873 19.354 14.848 12 HH21 ARG 1 1HH2 ARG 1 8.993 19.739 18.093 13 HH22 ARG 1 2HH2 ARG 1 7.703 20.022 16.972 14 H SER 2 H SER 2 11.394 12.030 13.314 15 HA SER 2 HA SER 2 14.013 11.257 12.723 16 HB2 SER 2 1HB SER 2 13.058 9.625 11.276 17 HB3 SER 2 2HB SER 2 11.893 9.857 12.575 18 HG SER 2 HG SER 2 10.543 10.731 11.194 19 H LEU 3 H LEU 3 15.300 11.428 10.892 20 HA LEU 3 HA LEU 3 15.345 13.849 9.503 21 HB2 LEU 3 1HB LEU 3 17.260 12.273 9.787 22 HB3 LEU 3 2HB LEU 3 16.525 11.224 8.577 23 HG LEU 3 HG LEU 3 16.559 13.180 6.980 24 HD11 LEU 3 1HD1 LEU 3 18.343 14.932 7.694 25 HD12 LEU 3 2HD1 LEU 3 18.010 14.381 9.335 26 HD13 LEU 3 3HD1 LEU 3 16.718 15.085 8.362 27 HD21 LEU 3 1HD2 LEU 3 19.037 13.036 6.601 28 HD22 LEU 3 2HD2 LEU 3 18.275 11.462 6.830 29 HD23 LEU 3 3HD2 LEU 3 19.181 12.202 8.148 30 H LEU 4 H LEU 4 13.525 10.950 8.807 31 HA LEU 4 HA LEU 4 13.153 11.204 6.039 32 HB2 LEU 4 1HB LEU 4 12.491 9.256 7.484 33 HB3 LEU 4 2HB LEU 4 11.112 10.205 8.032 34 HG LEU 4 HG LEU 4 10.587 10.496 5.502 35 HD11 LEU 4 1HD1 LEU 4 12.924 9.394 5.007 36 HD12 LEU 4 2HD1 LEU 4 11.543 9.001 3.983 37 HD13 LEU 4 3HD1 LEU 4 12.049 7.883 5.250 38 HD21 LEU 4 1HD2 LEU 4 9.403 8.291 5.492 39 HD22 LEU 4 2HD2 LEU 4 9.185 9.181 6.998 40 HD23 LEU 4 3HD2 LEU 4 10.319 7.833 6.928 41 H GLU 5 H GLU 5 11.777 13.038 8.667 42 HA GLU 5 HA GLU 5 9.600 14.100 7.052 43 HB2 GLU 5 1HB GLU 5 9.388 13.594 9.496 44 HB3 GLU 5 2HB GLU 5 10.488 14.934 9.817 45 HG2 GLU 5 1HG GLU 5 8.920 16.467 8.643 46 HG3 GLU 5 2HG GLU 5 7.815 15.123 8.399 47 H GLY 6 H GLY 6 12.876 15.007 7.750 48 HA2 GLY 6 1HA GLY 6 12.423 17.796 7.007 49 HA3 GLY 6 2HA GLY 6 13.939 17.097 7.551 50 H GLU 7 H GLU 7 12.457 15.230 5.122 51 HA GLU 7 HA GLU 7 12.513 15.144 2.840 52 HB2 GLU 7 1HB GLU 7 12.689 17.649 2.717 53 HB3 GLU 7 2HB GLU 7 14.443 17.465 2.770 54 HG2 GLU 7 1HG GLU 7 14.321 15.981 0.779 55 HG3 GLU 7 2HG GLU 7 12.589 16.269 0.696 56 H ILE 8 H ILE 8 13.662 13.795 1.615 57 HA ILE 8 HA ILE 8 16.037 12.672 2.774 58 HB ILE 8 HB ILE 8 15.908 11.061 0.896 59 HG12 ILE 8 1HG1 ILE 8 13.467 12.657 0.053 60 HG13 ILE 8 2HG1 ILE 8 15.023 12.729 -0.773 61 HG21 ILE 8 1HG2 ILE 8 13.755 10.080 1.548 62 HG22 ILE 8 2HG2 ILE 8 13.242 11.624 2.227 63 HG23 ILE 8 3HG2 ILE 8 14.576 10.738 2.965 64 HD11 ILE 8 1HD1 ILE 8 13.887 11.102 -2.011 65 HD12 ILE 8 2HD1 ILE 8 13.094 10.433 -0.585 66 HD13 ILE 8 3HD1 ILE 8 14.807 10.125 -0.867 67 HA PRO 9 HA PRO 9 18.882 15.144 0.373 68 HB2 PRO 9 1HB PRO 9 21.051 13.472 0.199 69 HB3 PRO 9 2HB PRO 9 20.644 14.401 1.654 70 HG2 PRO 9 1HG PRO 9 20.147 11.537 1.043 71 HG3 PRO 9 2HG PRO 9 20.627 12.303 2.568 72 HD2 PRO 9 1HD PRO 9 18.066 11.512 2.071 73 HD3 PRO 9 2HD PRO 9 18.462 12.888 3.123 74 H PHE 10 H PHE 10 19.548 15.392 -1.781 75 HA PHE 10 HA PHE 10 18.068 14.033 -3.700 76 HB2 PHE 10 1HB PHE 10 20.657 15.528 -4.125 77 HB3 PHE 10 2HB PHE 10 19.467 15.154 -5.357 78 HD1 PHE 10 HD1 PHE 10 20.276 17.264 -2.457 79 HD2 PHE 10 HD2 PHE 10 17.347 16.370 -5.470 80 HE1 PHE 10 HE1 PHE 10 19.098 19.385 -1.942 81 HE2 PHE 10 HE2 PHE 10 16.170 18.492 -4.955 82 HZ PHE 10 HZ PHE 10 17.046 20.000 -3.191 83 HA PRO 11 HA PRO 11 20.168 10.211 -4.229 84 HB2 PRO 11 1HB PRO 11 19.995 9.839 -6.999 85 HB3 PRO 11 2HB PRO 11 18.795 9.374 -5.785 86 HG2 PRO 11 1HG PRO 11 18.830 11.687 -7.604 87 HG3 PRO 11 2HG PRO 11 17.465 10.797 -6.919 88 HD2 PRO 11 1HD PRO 11 18.240 13.275 -6.035 89 HD3 PRO 11 2HD PRO 11 17.386 12.089 -5.024 90 HA PRO 12 HA PRO 12 23.850 11.482 -7.238 91 HB2 PRO 12 1HB PRO 12 24.011 14.327 -6.350 92 HB3 PRO 12 2HB PRO 12 24.413 13.607 -7.922 93 HG2 PRO 12 1HG PRO 12 22.190 15.008 -7.586 94 HG3 PRO 12 2HG PRO 12 22.227 13.567 -8.620 95 HD2 PRO 12 1HD PRO 12 21.059 13.890 -5.892 96 HD3 PRO 12 2HD PRO 12 20.515 12.872 -7.241 97 H THR 13 H THR 13 23.048 12.648 -4.032 98 HA THR 13 HA THR 13 25.602 12.994 -2.950 99 HB THR 13 HB THR 13 23.181 11.886 -1.517 100 HG1 THR 13 HG1 THR 13 22.425 13.861 -1.516 101 HG21 THR 13 1HG2 THR 13 25.657 13.377 -0.613 102 HG22 THR 13 2HG2 THR 13 25.175 11.743 -0.162 103 HG23 THR 13 3HG2 THR 13 24.240 13.126 0.405 104 H SER 14 H SER 14 23.892 10.017 -3.709 105 HA SER 14 HA SER 14 25.264 8.250 -2.005 106 HB2 SER 14 1HB SER 14 24.263 7.699 -4.809 107 HB3 SER 14 2HB SER 14 24.614 6.500 -3.569 108 HG SER 14 HG SER 14 22.379 7.070 -3.685 109 H ILE 15 H ILE 15 26.187 9.661 -5.127 110 HA ILE 15 HA ILE 15 28.459 8.062 -5.623 111 HB ILE 15 HB ILE 15 28.049 10.992 -6.284 112 HG12 ILE 15 1HG1 ILE 15 27.492 8.525 -7.961 113 HG13 ILE 15 2HG1 ILE 15 26.248 9.424 -7.090 114 HG21 ILE 15 1HG2 ILE 15 29.814 8.903 -7.601 115 HG22 ILE 15 2HG2 ILE 15 30.400 10.156 -6.506 116 HG23 ILE 15 3HG2 ILE 15 29.681 10.603 -8.053 117 HD11 ILE 15 1HD1 ILE 15 27.011 11.493 -8.339 118 HD12 ILE 15 2HD1 ILE 15 26.254 10.258 -9.345 119 HD13 ILE 15 3HD1 ILE 15 28.009 10.433 -9.335 120 H LEU 16 H LEU 16 28.000 10.896 -3.524 121 HA LEU 16 HA LEU 16 30.701 11.280 -2.817 122 HB2 LEU 16 1HB LEU 16 28.460 12.582 -2.200 123 HB3 LEU 16 2HB LEU 16 28.550 11.581 -0.759 124 HG LEU 16 HG LEU 16 29.634 13.699 -0.315 125 HD11 LEU 16 1HD1 LEU 16 30.715 11.444 0.423 126 HD12 LEU 16 2HD1 LEU 16 31.642 12.934 0.598 127 HD13 LEU 16 3HD1 LEU 16 31.961 11.851 -0.757 128 HD21 LEU 16 1HD2 LEU 16 31.243 14.702 -1.674 129 HD22 LEU 16 2HD2 LEU 16 30.158 13.980 -2.861 130 HD23 LEU 16 3HD2 LEU 16 31.677 13.182 -2.455 131 H LEU 17 H LEU 17 28.249 9.027 -1.578 132 HA LEU 17 HA LEU 17 29.763 7.994 0.564 133 HB2 LEU 17 1HB LEU 17 27.790 6.482 -1.163 134 HB3 LEU 17 2HB LEU 17 28.330 6.028 0.450 135 HG LEU 17 HG LEU 17 26.881 8.608 -0.211 136 HD11 LEU 17 1HD1 LEU 17 25.001 7.518 1.052 137 HD12 LEU 17 2HD1 LEU 17 25.922 6.014 1.032 138 HD13 LEU 17 3HD1 LEU 17 25.367 6.728 -0.481 139 HD21 LEU 17 1HD2 LEU 17 26.602 8.529 2.359 140 HD22 LEU 17 2HD2 LEU 17 28.189 8.978 1.735 141 HD23 LEU 17 3HD2 LEU 17 27.907 7.344 2.335 142 H LEU 18 H LEU 18 29.758 7.158 -2.882 143 HA LEU 18 HA LEU 18 31.510 4.953 -2.698 144 HB2 LEU 18 1HB LEU 18 30.874 6.890 -4.900 145 HB3 LEU 18 2HB LEU 18 32.203 5.761 -5.094 146 HG LEU 18 HG LEU 18 30.064 4.931 -6.050 147 HD11 LEU 18 1HD1 LEU 18 31.918 3.463 -5.005 148 HD12 LEU 18 2HD1 LEU 18 30.354 2.717 -5.331 149 HD13 LEU 18 3HD1 LEU 18 30.773 3.206 -3.690 150 HD21 LEU 18 1HD2 LEU 18 28.230 4.268 -4.609 151 HD22 LEU 18 2HD2 LEU 18 28.570 5.975 -4.327 152 HD23 LEU 18 3HD2 LEU 18 29.125 4.763 -3.172 153 H LEU 19 H LEU 19 32.169 8.428 -2.839 154 HA LEU 19 HA LEU 19 34.973 8.278 -3.012 155 HB2 LEU 19 1HB LEU 19 33.624 10.384 -3.165 156 HB3 LEU 19 2HB LEU 19 33.417 10.317 -1.414 157 HG LEU 19 HG LEU 19 35.955 10.203 -1.242 158 HD11 LEU 19 1HD1 LEU 19 35.614 10.847 -4.177 159 HD12 LEU 19 2HD1 LEU 19 36.588 9.569 -3.452 160 HD13 LEU 19 3HD1 LEU 19 37.084 11.254 -3.292 161 HD21 LEU 19 1HD2 LEU 19 36.193 12.614 -1.444 162 HD22 LEU 19 2HD2 LEU 19 34.569 12.265 -0.851 163 HD23 LEU 19 3HD2 LEU 19 34.816 12.695 -2.543 164 H ALA 20 H ALA 20 32.819 7.932 -0.236 165 HA ALA 20 HA ALA 20 34.782 7.846 1.782 166 HB1 ALA 20 1HB ALA 20 32.274 6.166 1.757 167 HB2 ALA 20 2HB ALA 20 32.261 7.898 2.087 168 HB3 ALA 20 3HB ALA 20 33.137 6.803 3.156 169 H CYS 21 H CYS 21 33.518 5.304 -0.342 170 HA CYS 21 HA CYS 21 34.922 3.139 0.786 171 HB2 CYS 21 1HB CYS 21 34.158 3.605 -2.107 172 HB3 CYS 21 2HB CYS 21 34.659 2.060 -1.423 173 HG CYS 21 HG CYS 21 32.283 3.305 0.055 174 H ILE 22 H ILE 22 35.892 5.521 -1.661 175 HA ILE 22 HA ILE 22 38.399 4.394 -2.285 176 HB ILE 22 HB ILE 22 37.614 7.322 -2.259 177 HG12 ILE 22 1HG1 ILE 22 37.581 5.293 -4.514 178 HG13 ILE 22 2HG1 ILE 22 36.152 5.790 -3.616 179 HG21 ILE 22 1HG2 ILE 22 39.787 5.875 -3.811 180 HG22 ILE 22 2HG2 ILE 22 40.078 6.881 -2.392 181 HG23 ILE 22 3HG2 ILE 22 39.433 7.602 -3.866 182 HD11 ILE 22 1HD1 ILE 22 37.087 6.995 -5.918 183 HD12 ILE 22 2HD1 ILE 22 37.700 8.072 -4.667 184 HD13 ILE 22 3HD1 ILE 22 35.975 7.730 -4.770 185 H PHE 23 H PHE 23 37.405 6.524 0.387 186 HA PHE 23 HA PHE 23 39.972 6.966 1.460 187 HB2 PHE 23 1HB PHE 23 37.870 8.059 2.248 188 HB3 PHE 23 2HB PHE 23 37.426 6.553 3.027 189 HD1 PHE 23 HD1 PHE 23 38.589 5.779 5.033 190 HD2 PHE 23 HD2 PHE 23 39.668 9.463 3.107 191 HE1 PHE 23 HE1 PHE 23 39.881 6.450 7.040 192 HE2 PHE 23 HE2 PHE 23 40.961 10.134 5.114 193 HZ PHE 23 HZ PHE 23 41.067 8.627 7.081 194 H LEU 24 H LEU 24 37.788 4.194 1.742 195 HA LEU 24 HA LEU 24 39.178 2.840 3.787 196 HB2 LEU 24 1HB LEU 24 36.903 2.242 2.962 197 HB3 LEU 24 2HB LEU 24 37.642 1.594 1.499 198 HG LEU 24 HG LEU 24 39.050 0.104 3.001 199 HD11 LEU 24 1HD1 LEU 24 37.860 -0.267 5.278 200 HD12 LEU 24 2HD1 LEU 24 37.176 1.338 5.017 201 HD13 LEU 24 3HD1 LEU 24 38.924 1.130 5.123 202 HD21 LEU 24 1HD2 LEU 24 36.028 -0.174 3.063 203 HD22 LEU 24 2HD2 LEU 24 37.161 -1.476 3.423 204 HD23 LEU 24 3HD2 LEU 24 37.108 -0.776 1.805 205 H ILE 25 H ILE 25 39.575 2.745 0.245 206 HA ILE 25 HA ILE 25 41.603 0.773 0.330 207 HB ILE 25 HB ILE 25 40.400 1.363 -1.755 208 HG12 ILE 25 1HG1 ILE 25 43.402 1.535 -2.038 209 HG13 ILE 25 2HG1 ILE 25 42.573 0.060 -1.539 210 HG21 ILE 25 1HG2 ILE 25 40.363 3.605 -2.173 211 HG22 ILE 25 2HG2 ILE 25 41.832 3.228 -3.062 212 HG23 ILE 25 3HG2 ILE 25 41.934 3.900 -1.440 213 HD11 ILE 25 1HD1 ILE 25 41.336 -0.038 -3.600 214 HD12 ILE 25 2HD1 ILE 25 43.028 0.222 -4.024 215 HD13 ILE 25 3HD1 ILE 25 41.889 1.569 -4.073 216 H LYS 26 H LYS 26 41.773 4.258 0.776 217 HA LYS 26 HA LYS 26 44.575 4.515 0.715 218 HB2 LYS 26 1HB LYS 26 42.978 6.419 0.894 219 HB3 LYS 26 2HB LYS 26 42.671 5.963 2.570 220 HG2 LYS 26 1HG LYS 26 45.021 6.304 3.135 221 HG3 LYS 26 2HG LYS 26 45.400 6.663 1.450 222 HD2 LYS 26 1HD LYS 26 45.175 8.768 2.618 223 HD3 LYS 26 2HD LYS 26 43.767 8.579 1.571 224 HE2 LYS 26 1HE LYS 26 42.345 8.052 3.368 225 HE3 LYS 26 2HE LYS 26 43.690 7.637 4.431 226 HZ1 LYS 26 1HZ LYS 26 44.360 10.050 4.200 227 HZ2 LYS 26 2HZ LYS 26 42.972 9.734 5.127 228 HZ3 LYS 26 3HZ LYS 26 42.821 10.320 3.540 229 H ILE 27 H ILE 27 42.412 3.375 3.286 230 HA ILE 27 HA ILE 27 44.357 3.085 5.309 231 HB ILE 27 HB ILE 27 42.007 1.247 4.813 232 HG12 ILE 27 1HG1 ILE 27 41.240 3.579 4.854 233 HG13 ILE 27 2HG1 ILE 27 40.754 2.751 6.329 234 HG21 ILE 27 1HG2 ILE 27 43.532 0.378 6.476 235 HG22 ILE 27 2HG2 ILE 27 42.112 1.015 7.305 236 HG23 ILE 27 3HG2 ILE 27 43.612 1.943 7.284 237 HD11 ILE 27 1HD1 ILE 27 43.126 4.622 6.028 238 HD12 ILE 27 2HD1 ILE 27 42.710 3.754 7.506 239 HD13 ILE 27 3HD1 ILE 27 41.617 4.978 6.865 240 H LEU 28 H LEU 28 43.467 0.950 2.622 241 HA LEU 28 HA LEU 28 45.149 -1.210 3.288 242 HB2 LEU 28 1HB LEU 28 43.443 -1.218 1.450 243 HB3 LEU 28 2HB LEU 28 44.561 -0.257 0.482 244 HG LEU 28 HG LEU 28 46.295 -2.069 0.892 245 HD11 LEU 28 1HD1 LEU 28 45.401 -3.230 2.768 246 HD12 LEU 28 2HD1 LEU 28 45.193 -4.331 1.406 247 HD13 LEU 28 3HD1 LEU 28 43.820 -3.400 2.006 248 HD21 LEU 28 1HD2 LEU 28 45.231 -1.949 -1.262 249 HD22 LEU 28 2HD2 LEU 28 43.739 -2.648 -0.630 250 HD23 LEU 28 3HD2 LEU 28 45.188 -3.644 -0.773 251 H ALA 29 H ALA 29 45.865 1.846 1.677 252 HA ALA 29 HA ALA 29 48.529 1.285 0.945 253 HB1 ALA 29 1HB ALA 29 47.098 3.323 0.336 254 HB2 ALA 29 2HB ALA 29 48.804 3.615 0.670 255 HB3 ALA 29 3HB ALA 29 47.589 3.987 1.893 256 H ALA 30 H ALA 30 47.145 2.449 3.989 257 HA ALA 30 HA ALA 30 49.559 3.037 5.309 258 HB1 ALA 30 1HB ALA 30 48.267 2.729 7.399 259 HB2 ALA 30 2HB ALA 30 46.950 2.023 6.463 260 HB3 ALA 30 3HB ALA 30 47.398 3.712 6.220 261 H SER 31 H SER 31 47.749 -0.002 5.027 262 HA SER 31 HA SER 31 49.418 -1.571 6.670 263 HB2 SER 31 1HB SER 31 48.423 -3.471 5.676 264 HB3 SER 31 2HB SER 31 47.180 -2.227 5.621 265 HG SER 31 HG SER 31 47.350 -3.209 3.606 266 H ALA 32 H ALA 32 49.791 -0.527 3.312 267 HA ALA 32 HA ALA 32 51.913 -2.258 2.613 268 HB1 ALA 32 1HB ALA 32 52.356 -0.742 0.806 269 HB2 ALA 32 2HB ALA 32 51.547 0.582 1.644 270 HB3 ALA 32 3HB ALA 32 50.606 -0.781 1.036 271 H LEU 33 H LEU 33 51.888 0.960 4.139 272 HA LEU 33 HA LEU 33 54.679 1.319 4.238 273 HB2 LEU 33 1HB LEU 33 52.611 2.275 6.231 274 HB3 LEU 33 2HB LEU 33 54.241 2.919 6.038 275 HG LEU 33 HG LEU 33 52.117 2.916 3.871 276 HD11 LEU 33 1HD1 LEU 33 52.107 5.384 4.284 277 HD12 LEU 33 2HD1 LEU 33 53.141 5.120 5.687 278 HD13 LEU 33 3HD1 LEU 33 51.507 4.457 5.660 279 HD21 LEU 33 1HD2 LEU 33 53.829 4.663 2.952 280 HD22 LEU 33 2HD2 LEU 33 54.198 2.948 2.767 281 HD23 LEU 33 3HD2 LEU 33 54.968 3.883 4.050 282 H TRP 34 H TRP 34 52.477 -0.387 6.447 283 HA TRP 34 HA TRP 34 54.394 -1.045 8.409 284 HB2 TRP 34 1HB TRP 34 51.938 -2.520 7.488 285 HB3 TRP 34 2HB TRP 34 52.939 -3.078 8.807 286 HD1 TRP 34 HD1 TRP 34 53.389 0.068 9.853 287 HE1 TRP 34 HE1 TRP 34 51.475 1.085 11.245 288 HE3 TRP 34 HE3 TRP 34 49.567 -3.042 8.506 289 HZ2 TRP 34 HZ2 TRP 34 48.689 0.640 11.727 290 HZ3 TRP 34 HZ3 TRP 34 47.301 -2.723 9.445 291 HH2 TRP 34 HH2 TRP 34 46.854 -0.891 11.051 292 H ALA 35 H ALA 35 53.716 -2.516 5.271 293 HA ALA 35 HA ALA 35 55.433 -4.737 5.492 294 HB1 ALA 35 1HB ALA 35 53.795 -4.017 3.579 295 HB2 ALA 35 2HB ALA 35 55.241 -4.947 3.185 296 HB3 ALA 35 3HB ALA 35 55.217 -3.203 2.926 297 H ALA 36 H ALA 36 56.092 -1.369 4.634 298 HA ALA 36 HA ALA 36 58.796 -1.657 3.916 299 HB1 ALA 36 1HB ALA 36 58.959 0.667 4.098 300 HB2 ALA 36 2HB ALA 36 57.815 0.740 5.438 301 HB3 ALA 36 3HB ALA 36 57.238 0.426 3.802 302 H ALA 37 H ALA 37 57.275 -1.231 7.091 303 HA ALA 37 HA ALA 37 59.635 -1.144 8.629 304 HB1 ALA 37 1HB ALA 37 57.192 -0.750 9.354 305 HB2 ALA 37 2HB ALA 37 58.274 -1.542 10.500 306 HB3 ALA 37 3HB ALA 37 57.121 -2.499 9.571 307 H TRP 38 H TRP 38 57.742 -3.878 7.434 308 HA TRP 38 HA TRP 38 59.070 -5.975 8.694 309 HB2 TRP 38 1HB TRP 38 56.998 -6.048 7.219 310 HB3 TRP 38 2HB TRP 38 58.094 -6.085 5.852 311 HD1 TRP 38 HD1 TRP 38 59.287 -8.328 5.300 312 HE1 TRP 38 HE1 TRP 38 59.073 -10.724 6.226 313 HE3 TRP 38 HE3 TRP 38 56.521 -7.410 9.492 314 HZ2 TRP 38 HZ2 TRP 38 57.882 -12.076 8.454 315 HZ3 TRP 38 HZ3 TRP 38 55.861 -9.263 10.994 316 HH2 TRP 38 HH2 TRP 38 56.536 -11.592 10.484 317 H HIS 39 H HIS 39 60.070 -4.128 5.840 318 HA HIS 39 HA HIS 39 62.442 -5.711 5.430 319 HB2 HIS 39 1HB HIS 39 61.717 -2.906 4.563 320 HB3 HIS 39 2HB HIS 39 63.186 -3.734 4.081 321 HD1 HIS 39 HD1 HIS 39 59.510 -3.600 3.454 322 HD2 HIS 39 HD2 HIS 39 62.784 -5.840 2.172 323 HE1 HIS 39 HE1 HIS 39 58.733 -4.909 1.431 324 H GLY 40 H GLY 40 62.123 -2.312 6.488 325 HA2 GLY 40 1HA GLY 40 63.594 -3.034 8.925 326 HA3 GLY 40 2HA GLY 40 64.172 -1.662 7.979 327 H GLN 41 H GLN 41 62.184 -2.537 10.503 328 HA GLN 41 HA GLN 41 60.205 -0.657 10.588 329 HB2 GLN 41 1HB GLN 41 62.068 -1.424 12.849 330 HB3 GLN 41 2HB GLN 41 60.513 -0.613 13.044 331 HG2 GLN 41 1HG GLN 41 59.353 -2.502 12.025 332 HG3 GLN 41 2HG GLN 41 60.888 -3.313 11.723 333 HE21 GLN 41 1HE2 GLN 41 58.841 -4.524 13.318 334 HE22 GLN 41 2HE2 GLN 41 59.402 -4.624 14.918 335 H LYS 42 H LYS 42 60.009 1.494 11.243 336 HA LYS 42 HA LYS 42 61.809 3.212 10.015 337 HB2 LYS 42 1HB LYS 42 59.343 3.544 10.666 338 HB3 LYS 42 2HB LYS 42 59.980 4.139 12.199 339 HG2 LYS 42 1HG LYS 42 61.177 5.902 11.138 340 HG3 LYS 42 2HG LYS 42 60.957 5.189 9.539 341 HD2 LYS 42 1HD LYS 42 59.398 7.033 9.771 342 HD3 LYS 42 2HD LYS 42 58.483 5.525 9.793 343 HE2 LYS 42 1HE LYS 42 58.399 5.587 12.245 344 HE3 LYS 42 2HE LYS 42 59.359 7.066 12.254 345 HZ1 LYS 42 1HZ LYS 42 57.634 8.236 11.153 346 HZ2 LYS 42 2HZ LYS 42 56.915 7.404 12.448 347 HZ3 LYS 42 3HZ LYS 42 56.752 6.815 10.863 348 HA PRO 43 HA PRO 43 63.719 4.272 14.425 349 HB2 PRO 43 1HB PRO 43 64.099 1.397 15.165 350 HB3 PRO 43 2HB PRO 43 63.899 2.816 16.214 351 HG2 PRO 43 1HG PRO 43 61.901 1.127 15.831 352 HG3 PRO 43 2HG PRO 43 61.616 2.876 15.933 353 HD2 PRO 43 1HD PRO 43 61.590 1.109 13.530 354 HD3 PRO 43 2HD PRO 43 60.629 2.563 13.870 355 H GLY 44 H GLY 44 65.930 4.515 14.372 356 HA2 GLY 44 1HA GLY 44 68.042 4.464 13.466 357 HA3 GLY 44 2HA GLY 44 67.873 2.717 13.572 358 H THR 45 H THR 45 66.380 5.247 11.527 359 HA THR 45 HA THR 45 66.180 3.695 9.209 360 HB THR 45 HB THR 45 65.944 5.813 8.005 361 HG1 THR 45 HG1 THR 45 66.234 7.741 9.273 362 HG21 THR 45 1HG2 THR 45 64.024 6.615 9.170 363 HG22 THR 45 2HG2 THR 45 64.669 6.103 10.729 364 HG23 THR 45 3HG2 THR 45 64.135 4.898 9.558 365 H HIS 46 H HIS 46 68.984 5.295 10.556 366 HA HIS 46 HA HIS 46 70.472 5.101 8.050 367 HB2 HIS 46 1HB HIS 46 70.720 7.055 9.584 368 HB3 HIS 46 2HB HIS 46 71.408 5.977 10.784 369 HD1 HIS 46 HD1 HIS 46 73.846 5.252 10.467 370 HD2 HIS 46 HD2 HIS 46 72.410 7.575 7.318 371 HE1 HIS 46 HE1 HIS 46 75.857 5.872 9.062 Start of MODEL 15 1 H ARG 1 3H ARG 1 40.728 13.075 -23.108 2 HA ARG 1 HA ARG 1 39.342 11.568 -21.846 3 HB2 ARG 1 1HB ARG 1 40.242 13.670 -20.815 4 HB3 ARG 1 2HB ARG 1 38.717 14.466 -21.205 5 HG2 ARG 1 1HG ARG 1 37.486 12.865 -19.831 6 HG3 ARG 1 2HG ARG 1 38.972 11.975 -19.496 7 HD2 ARG 1 1HD ARG 1 38.545 13.401 -17.600 8 HD3 ARG 1 2HD ARG 1 39.911 14.080 -18.481 9 HE ARG 1 HE ARG 1 37.754 15.363 -19.553 10 HH11 ARG 1 1HH1 ARG 1 38.879 14.949 -16.252 11 HH12 ARG 1 2HH1 ARG 1 38.201 16.454 -15.727 12 HH21 ARG 1 1HH2 ARG 1 36.904 17.289 -18.819 13 HH22 ARG 1 2HH2 ARG 1 37.097 17.762 -17.163 14 H SER 2 H SER 2 37.516 10.463 -22.153 15 HA SER 2 HA SER 2 35.383 11.263 -23.768 16 HB2 SER 2 1HB SER 2 35.341 9.244 -21.511 17 HB3 SER 2 2HB SER 2 34.170 9.359 -22.822 18 HG SER 2 HG SER 2 36.857 8.545 -22.849 19 H LEU 3 H LEU 3 33.347 12.081 -23.357 20 HA LEU 3 HA LEU 3 33.065 14.041 -21.386 21 HB2 LEU 3 1HB LEU 3 30.870 12.568 -22.856 22 HB3 LEU 3 2HB LEU 3 30.708 14.120 -22.036 23 HG LEU 3 HG LEU 3 32.592 13.579 -24.351 24 HD11 LEU 3 1HD1 LEU 3 30.283 13.514 -25.116 25 HD12 LEU 3 2HD1 LEU 3 30.997 15.051 -25.604 26 HD13 LEU 3 3HD1 LEU 3 29.909 14.985 -24.218 27 HD21 LEU 3 1HD2 LEU 3 33.482 15.359 -23.026 28 HD22 LEU 3 2HD2 LEU 3 31.881 16.045 -22.745 29 HD23 LEU 3 3HD2 LEU 3 32.615 16.145 -24.345 30 H LEU 4 H LEU 4 32.484 10.611 -21.153 31 HA LEU 4 HA LEU 4 30.553 10.558 -19.113 32 HB2 LEU 4 1HB LEU 4 32.753 8.642 -19.864 33 HB3 LEU 4 2HB LEU 4 31.617 8.308 -18.558 34 HG LEU 4 HG LEU 4 29.798 8.914 -20.351 35 HD11 LEU 4 1HD1 LEU 4 31.093 9.676 -22.171 36 HD12 LEU 4 2HD1 LEU 4 30.681 8.023 -22.623 37 HD13 LEU 4 3HD1 LEU 4 32.281 8.387 -21.980 38 HD21 LEU 4 1HD2 LEU 4 29.842 6.516 -21.129 39 HD22 LEU 4 2HD2 LEU 4 29.982 6.701 -19.380 40 HD23 LEU 4 3HD2 LEU 4 31.414 6.348 -20.347 41 H GLU 5 H GLU 5 33.974 11.269 -18.968 42 HA GLU 5 HA GLU 5 34.081 10.975 -16.072 43 HB2 GLU 5 1HB GLU 5 36.122 11.974 -18.063 44 HB3 GLU 5 2HB GLU 5 36.420 11.757 -16.337 45 HG2 GLU 5 1HG GLU 5 35.778 9.361 -16.561 46 HG3 GLU 5 2HG GLU 5 35.591 9.596 -18.293 47 H GLY 6 H GLY 6 33.377 13.523 -18.314 48 HA2 GLY 6 1HA GLY 6 33.913 15.612 -16.344 49 HA3 GLY 6 2HA GLY 6 33.406 15.854 -18.007 50 H GLU 7 H GLU 7 31.425 13.523 -16.483 51 HA GLU 7 HA GLU 7 29.225 15.437 -16.481 52 HB2 GLU 7 1HB GLU 7 29.048 13.158 -17.533 53 HB3 GLU 7 2HB GLU 7 29.161 12.465 -15.916 54 HG2 GLU 7 1HG GLU 7 27.164 13.781 -15.240 55 HG3 GLU 7 2HG GLU 7 27.034 14.397 -16.880 56 H ILE 8 H ILE 8 27.850 15.772 -14.680 57 HA ILE 8 HA ILE 8 29.339 15.918 -12.230 58 HB ILE 8 HB ILE 8 27.400 17.151 -11.366 59 HG12 ILE 8 1HG1 ILE 8 25.660 17.606 -13.404 60 HG13 ILE 8 2HG1 ILE 8 26.115 15.950 -13.787 61 HG21 ILE 8 1HG2 ILE 8 28.063 17.997 -14.195 62 HG22 ILE 8 2HG2 ILE 8 29.154 18.210 -12.826 63 HG23 ILE 8 3HG2 ILE 8 27.598 19.038 -12.850 64 HD11 ILE 8 1HD1 ILE 8 25.091 15.100 -11.917 65 HD12 ILE 8 2HD1 ILE 8 24.117 16.556 -12.093 66 HD13 ILE 8 3HD1 ILE 8 25.446 16.522 -10.937 67 HA PRO 9 HA PRO 9 27.715 12.130 -10.501 68 HB2 PRO 9 1HB PRO 9 27.830 12.663 -7.812 69 HB3 PRO 9 2HB PRO 9 29.250 12.239 -8.788 70 HG2 PRO 9 1HG PRO 9 28.325 14.907 -7.862 71 HG3 PRO 9 2HG PRO 9 29.971 14.256 -7.980 72 HD2 PRO 9 1HD PRO 9 28.947 15.974 -9.829 73 HD3 PRO 9 2HD PRO 9 30.156 14.736 -10.233 74 H PHE 10 H PHE 10 25.763 11.288 -9.659 75 HA PHE 10 HA PHE 10 23.471 12.810 -10.087 76 HB2 PHE 10 1HB PHE 10 23.956 10.249 -8.594 77 HB3 PHE 10 2HB PHE 10 22.355 10.959 -8.674 78 HD1 PHE 10 HD1 PHE 10 25.143 9.597 -10.723 79 HD2 PHE 10 HD2 PHE 10 21.006 10.745 -10.621 80 HE1 PHE 10 HE1 PHE 10 24.796 8.542 -12.942 81 HE2 PHE 10 HE2 PHE 10 20.658 9.691 -12.838 82 HZ PHE 10 HZ PHE 10 22.553 8.590 -13.999 83 HA PRO 11 HA PRO 11 23.204 15.522 -6.793 84 HB2 PRO 11 1HB PRO 11 20.487 15.491 -6.098 85 HB3 PRO 11 2HB PRO 11 21.256 16.464 -7.359 86 HG2 PRO 11 1HG PRO 11 19.689 13.985 -7.591 87 HG3 PRO 11 2HG PRO 11 19.879 15.324 -8.731 88 HD2 PRO 11 1HD PRO 11 21.112 12.896 -9.048 89 HD3 PRO 11 2HD PRO 11 21.751 14.417 -9.705 90 HA PRO 12 HA PRO 12 21.543 12.859 -3.017 91 HB2 PRO 12 1HB PRO 12 22.576 10.231 -3.979 92 HB3 PRO 12 2HB PRO 12 21.158 10.589 -2.975 93 HG2 PRO 12 1HG PRO 12 20.897 9.912 -5.526 94 HG3 PRO 12 2HG PRO 12 19.842 11.126 -4.777 95 HD2 PRO 12 1HD PRO 12 22.117 11.527 -6.668 96 HD3 PRO 12 2HD PRO 12 20.610 12.451 -6.503 97 H THR 13 H THR 13 22.976 12.976 -1.377 98 HA THR 13 HA THR 13 25.725 13.382 -1.733 99 HB THR 13 HB THR 13 24.543 14.175 0.238 100 HG1 THR 13 HG1 THR 13 26.364 12.200 1.097 101 HG21 THR 13 1HG2 THR 13 22.969 12.294 0.471 102 HG22 THR 13 2HG2 THR 13 23.830 12.581 1.984 103 HG23 THR 13 3HG2 THR 13 24.299 11.235 0.943 104 H SER 14 H SER 14 23.966 10.388 -1.584 105 HA SER 14 HA SER 14 25.815 8.790 -0.196 106 HB2 SER 14 1HB SER 14 23.475 8.122 -0.747 107 HB3 SER 14 2HB SER 14 23.967 7.919 -2.425 108 HG SER 14 HG SER 14 24.177 5.943 -1.451 109 H ILE 15 H ILE 15 25.699 9.774 -3.604 110 HA ILE 15 HA ILE 15 27.600 7.925 -4.586 111 HB ILE 15 HB ILE 15 27.202 10.787 -5.486 112 HG12 ILE 15 1HG1 ILE 15 25.059 9.611 -5.492 113 HG13 ILE 15 2HG1 ILE 15 25.628 9.820 -7.142 114 HG21 ILE 15 1HG2 ILE 15 29.210 9.799 -6.423 115 HG22 ILE 15 2HG2 ILE 15 27.972 9.857 -7.677 116 HG23 ILE 15 3HG2 ILE 15 28.329 8.336 -6.862 117 HD11 ILE 15 1HD1 ILE 15 25.081 7.363 -5.667 118 HD12 ILE 15 2HD1 ILE 15 26.690 7.340 -6.385 119 HD13 ILE 15 3HD1 ILE 15 25.275 7.605 -7.400 120 H LEU 16 H LEU 16 27.999 11.071 -2.970 121 HA LEU 16 HA LEU 16 30.808 11.218 -3.116 122 HB2 LEU 16 1HB LEU 16 29.281 13.035 -2.306 123 HB3 LEU 16 2HB LEU 16 29.071 12.124 -0.811 124 HG LEU 16 HG LEU 16 31.671 12.129 -0.706 125 HD11 LEU 16 1HD1 LEU 16 31.386 14.670 -2.285 126 HD12 LEU 16 2HD1 LEU 16 31.636 13.146 -3.134 127 HD13 LEU 16 3HD1 LEU 16 32.832 13.711 -1.969 128 HD21 LEU 16 1HD2 LEU 16 30.329 13.352 0.898 129 HD22 LEU 16 2HD2 LEU 16 29.975 14.608 -0.288 130 HD23 LEU 16 3HD2 LEU 16 31.612 14.426 0.341 131 H LEU 17 H LEU 17 28.667 9.475 -0.883 132 HA LEU 17 HA LEU 17 30.648 8.608 0.920 133 HB2 LEU 17 1HB LEU 17 28.158 8.329 1.215 134 HB3 LEU 17 2HB LEU 17 28.250 6.970 0.094 135 HG LEU 17 HG LEU 17 30.054 5.999 1.598 136 HD11 LEU 17 1HD1 LEU 17 29.120 8.344 3.248 137 HD12 LEU 17 2HD1 LEU 17 30.771 7.821 2.909 138 HD13 LEU 17 3HD1 LEU 17 29.764 6.896 4.023 139 HD21 LEU 17 1HD2 LEU 17 28.418 5.096 3.192 140 HD22 LEU 17 2HD2 LEU 17 27.691 5.214 1.589 141 HD23 LEU 17 3HD2 LEU 17 27.306 6.414 2.822 142 H LEU 18 H LEU 18 29.682 7.329 -2.234 143 HA LEU 18 HA LEU 18 31.192 4.948 -2.159 144 HB2 LEU 18 1HB LEU 18 30.611 6.711 -4.551 145 HB3 LEU 18 2HB LEU 18 31.135 5.029 -4.612 146 HG LEU 18 HG LEU 18 28.594 5.977 -3.255 147 HD11 LEU 18 1HD1 LEU 18 27.417 5.058 -5.174 148 HD12 LEU 18 2HD1 LEU 18 28.935 4.519 -5.893 149 HD13 LEU 18 3HD1 LEU 18 28.589 6.243 -5.752 150 HD21 LEU 18 1HD2 LEU 18 28.132 3.438 -3.504 151 HD22 LEU 18 2HD2 LEU 18 29.259 3.940 -2.243 152 HD23 LEU 18 3HD2 LEU 18 29.869 3.286 -3.763 153 H LEU 19 H LEU 19 32.123 8.267 -3.033 154 HA LEU 19 HA LEU 19 34.815 7.714 -3.678 155 HB2 LEU 19 1HB LEU 19 33.776 10.178 -2.260 156 HB3 LEU 19 2HB LEU 19 35.294 10.035 -3.139 157 HG LEU 19 HG LEU 19 32.553 9.650 -4.376 158 HD11 LEU 19 1HD1 LEU 19 32.672 11.837 -5.188 159 HD12 LEU 19 2HD1 LEU 19 34.420 11.929 -4.976 160 HD13 LEU 19 3HD1 LEU 19 33.354 12.023 -3.573 161 HD21 LEU 19 1HD2 LEU 19 34.135 8.394 -5.636 162 HD22 LEU 19 2HD2 LEU 19 35.381 9.629 -5.450 163 HD23 LEU 19 3HD2 LEU 19 33.992 9.928 -6.496 164 H ALA 20 H ALA 20 33.220 8.077 -0.548 165 HA ALA 20 HA ALA 20 35.508 8.012 1.088 166 HB1 ALA 20 1HB ALA 20 34.063 7.666 2.850 167 HB2 ALA 20 2HB ALA 20 33.044 6.553 1.938 168 HB3 ALA 20 3HB ALA 20 32.934 8.289 1.646 169 H CYS 21 H CYS 21 33.652 5.391 -0.417 170 HA CYS 21 HA CYS 21 35.000 3.230 0.783 171 HB2 CYS 21 1HB CYS 21 32.953 3.384 -0.942 172 HB3 CYS 21 2HB CYS 21 34.233 2.993 -2.089 173 HG CYS 21 HG CYS 21 34.419 0.697 -1.126 174 H ILE 22 H ILE 22 35.790 5.165 -2.092 175 HA ILE 22 HA ILE 22 38.101 3.748 -2.870 176 HB ILE 22 HB ILE 22 37.662 6.737 -3.055 177 HG12 ILE 22 1HG1 ILE 22 35.749 5.545 -4.023 178 HG13 ILE 22 2HG1 ILE 22 36.727 6.264 -5.297 179 HG21 ILE 22 1HG2 ILE 22 39.518 4.781 -4.389 180 HG22 ILE 22 2HG2 ILE 22 39.891 6.341 -3.655 181 HG23 ILE 22 3HG2 ILE 22 39.053 6.274 -5.205 182 HD11 ILE 22 1HD1 ILE 22 37.827 4.051 -5.658 183 HD12 ILE 22 2HD1 ILE 22 36.089 3.993 -5.931 184 HD13 ILE 22 3HD1 ILE 22 36.766 3.354 -4.435 185 H PHE 23 H PHE 23 37.637 6.267 -0.407 186 HA PHE 23 HA PHE 23 40.348 6.601 0.286 187 HB2 PHE 23 1HB PHE 23 38.413 7.981 1.126 188 HB3 PHE 23 2HB PHE 23 38.040 6.666 2.224 189 HD1 PHE 23 HD1 PHE 23 40.502 9.286 1.371 190 HD2 PHE 23 HD2 PHE 23 39.362 6.260 4.197 191 HE1 PHE 23 HE1 PHE 23 42.130 10.198 3.003 192 HE2 PHE 23 HE2 PHE 23 40.991 7.171 5.830 193 HZ PHE 23 HZ PHE 23 42.375 9.141 5.233 194 H LEU 24 H LEU 24 38.005 4.116 1.232 195 HA LEU 24 HA LEU 24 39.562 2.839 3.200 196 HB2 LEU 24 1HB LEU 24 37.165 2.304 2.626 197 HB3 LEU 24 2HB LEU 24 37.766 1.433 1.215 198 HG LEU 24 HG LEU 24 39.299 0.203 2.929 199 HD11 LEU 24 1HD1 LEU 24 37.044 0.786 4.825 200 HD12 LEU 24 2HD1 LEU 24 38.398 1.911 4.728 201 HD13 LEU 24 3HD1 LEU 24 38.681 0.229 5.175 202 HD21 LEU 24 1HD2 LEU 24 36.311 -0.207 2.651 203 HD22 LEU 24 2HD2 LEU 24 37.362 -1.379 3.447 204 HD23 LEU 24 3HD2 LEU 24 37.598 -0.999 1.740 205 H ILE 25 H ILE 25 39.607 2.556 -0.339 206 HA ILE 25 HA ILE 25 41.516 0.482 -0.510 207 HB ILE 25 HB ILE 25 41.198 2.825 -2.406 208 HG12 ILE 25 1HG1 ILE 25 39.907 0.081 -2.496 209 HG13 ILE 25 2HG1 ILE 25 39.084 1.535 -1.928 210 HG21 ILE 25 1HG2 ILE 25 42.173 1.325 -4.059 211 HG22 ILE 25 2HG2 ILE 25 42.252 0.020 -2.875 212 HG23 ILE 25 3HG2 ILE 25 43.270 1.448 -2.683 213 HD11 ILE 25 1HD1 ILE 25 38.496 1.268 -4.243 214 HD12 ILE 25 2HD1 ILE 25 40.178 1.008 -4.701 215 HD13 ILE 25 3HD1 ILE 25 39.647 2.600 -4.159 216 H LYS 26 H LYS 26 41.913 3.985 -0.075 217 HA LYS 26 HA LYS 26 44.723 4.055 -0.264 218 HB2 LYS 26 1HB LYS 26 43.258 6.076 -0.152 219 HB3 LYS 26 2HB LYS 26 43.020 5.759 1.565 220 HG2 LYS 26 1HG LYS 26 44.790 7.335 1.479 221 HG3 LYS 26 2HG LYS 26 45.578 5.785 1.769 222 HD2 LYS 26 1HD LYS 26 46.120 5.576 -0.607 223 HD3 LYS 26 2HD LYS 26 45.249 7.070 -0.958 224 HE2 LYS 26 1HE LYS 26 46.820 8.248 0.637 225 HE3 LYS 26 2HE LYS 26 47.764 6.758 0.699 226 HZ1 LYS 26 1HZ LYS 26 48.199 6.887 -1.606 227 HZ2 LYS 26 2HZ LYS 26 48.517 8.432 -0.976 228 HZ3 LYS 26 3HZ LYS 26 47.078 8.141 -1.832 229 H ILE 27 H ILE 27 42.612 3.204 2.452 230 HA ILE 27 HA ILE 27 44.630 2.921 4.403 231 HB ILE 27 HB ILE 27 42.135 1.224 4.138 232 HG12 ILE 27 1HG1 ILE 27 42.580 3.817 5.653 233 HG13 ILE 27 2HG1 ILE 27 41.712 3.698 4.124 234 HG21 ILE 27 1HG2 ILE 27 43.798 1.963 6.563 235 HG22 ILE 27 2HG2 ILE 27 43.881 0.408 5.736 236 HG23 ILE 27 3HG2 ILE 27 42.390 0.901 6.538 237 HD11 ILE 27 1HD1 ILE 27 40.888 2.802 6.848 238 HD12 ILE 27 2HD1 ILE 27 40.356 1.824 5.480 239 HD13 ILE 27 3HD1 ILE 27 39.923 3.531 5.566 240 H LEU 28 H LEU 28 43.570 0.731 1.831 241 HA LEU 28 HA LEU 28 45.159 -1.492 2.500 242 HB2 LEU 28 1HB LEU 28 43.440 -0.979 0.506 243 HB3 LEU 28 2HB LEU 28 44.934 -0.691 -0.369 244 HG LEU 28 HG LEU 28 44.273 -2.998 -0.682 245 HD11 LEU 28 1HD1 LEU 28 46.746 -2.351 -0.125 246 HD12 LEU 28 2HD1 LEU 28 46.289 -4.052 -0.192 247 HD13 LEU 28 3HD1 LEU 28 46.451 -3.244 1.367 248 HD21 LEU 28 1HD2 LEU 28 42.961 -2.972 1.560 249 HD22 LEU 28 2HD2 LEU 28 44.482 -3.504 2.277 250 HD23 LEU 28 3HD2 LEU 28 43.701 -4.485 1.038 251 H ALA 29 H ALA 29 45.986 1.508 0.810 252 HA ALA 29 HA ALA 29 48.706 0.943 0.308 253 HB1 ALA 29 1HB ALA 29 47.194 3.011 -0.325 254 HB2 ALA 29 2HB ALA 29 48.940 3.194 -0.157 255 HB3 ALA 29 3HB ALA 29 47.872 3.686 1.157 256 H ALA 30 H ALA 30 47.066 2.102 3.218 257 HA ALA 30 HA ALA 30 49.323 2.713 4.769 258 HB1 ALA 30 1HB ALA 30 47.885 2.806 6.573 259 HB2 ALA 30 2HB ALA 30 46.963 1.397 6.047 260 HB3 ALA 30 3HB ALA 30 46.733 2.950 5.245 261 H SER 31 H SER 31 47.745 -0.385 4.124 262 HA SER 31 HA SER 31 49.221 -1.990 5.900 263 HB2 SER 31 1HB SER 31 48.263 -2.730 3.124 264 HB3 SER 31 2HB SER 31 48.686 -3.849 4.416 265 HG SER 31 HG SER 31 46.962 -3.068 5.608 266 H ALA 32 H ALA 32 50.048 -0.714 2.695 267 HA ALA 32 HA ALA 32 52.451 -2.156 2.327 268 HB1 ALA 32 1HB ALA 32 52.236 0.697 1.444 269 HB2 ALA 32 2HB ALA 32 51.146 -0.497 0.741 270 HB3 ALA 32 3HB ALA 32 52.891 -0.695 0.583 271 H LEU 33 H LEU 33 51.766 0.914 3.989 272 HA LEU 33 HA LEU 33 54.415 1.561 4.687 273 HB2 LEU 33 1HB LEU 33 51.906 2.082 6.299 274 HB3 LEU 33 2HB LEU 33 53.443 2.928 6.462 275 HG LEU 33 HG LEU 33 51.746 2.883 3.947 276 HD11 LEU 33 1HD1 LEU 33 51.331 5.271 4.513 277 HD12 LEU 33 2HD1 LEU 33 52.180 5.038 6.041 278 HD13 LEU 33 3HD1 LEU 33 50.673 4.177 5.729 279 HD21 LEU 33 1HD2 LEU 33 54.370 4.175 4.701 280 HD22 LEU 33 2HD2 LEU 33 53.351 4.859 3.435 281 HD23 LEU 33 3HD2 LEU 33 53.987 3.223 3.266 282 H TRP 34 H TRP 34 52.070 -0.601 6.247 283 HA TRP 34 HA TRP 34 53.585 -1.230 8.536 284 HB2 TRP 34 1HB TRP 34 51.220 -1.938 8.090 285 HB3 TRP 34 2HB TRP 34 51.848 -3.150 6.991 286 HD1 TRP 34 HD1 TRP 34 52.515 -5.395 7.992 287 HE1 TRP 34 HE1 TRP 34 52.729 -6.335 10.381 288 HE3 TRP 34 HE3 TRP 34 51.906 -1.100 10.684 289 HZ2 TRP 34 HZ2 TRP 34 52.651 -5.388 13.084 290 HZ3 TRP 34 HZ3 TRP 34 51.981 -1.146 13.158 291 HH2 TRP 34 HH2 TRP 34 52.352 -3.280 14.361 292 H ALA 35 H ALA 35 53.814 -2.431 5.220 293 HA ALA 35 HA ALA 35 55.721 -4.454 5.657 294 HB1 ALA 35 1HB ALA 35 56.033 -4.468 3.359 295 HB2 ALA 35 2HB ALA 35 55.872 -2.718 3.222 296 HB3 ALA 35 3HB ALA 35 54.442 -3.718 3.483 297 H ALA 36 H ALA 36 56.103 -0.965 5.203 298 HA ALA 36 HA ALA 36 58.915 -0.889 5.088 299 HB1 ALA 36 1HB ALA 36 58.737 1.408 5.419 300 HB2 ALA 36 2HB ALA 36 57.369 1.245 6.520 301 HB3 ALA 36 3HB ALA 36 57.139 1.011 4.787 302 H ALA 37 H ALA 37 56.709 -0.879 7.863 303 HA ALA 37 HA ALA 37 58.665 -0.681 9.888 304 HB1 ALA 37 1HB ALA 37 56.208 -2.346 10.276 305 HB2 ALA 37 2HB ALA 37 56.045 -0.612 9.998 306 HB3 ALA 37 3HB ALA 37 56.970 -1.201 11.379 307 H TRP 38 H TRP 38 57.362 -3.486 8.175 308 HA TRP 38 HA TRP 38 58.543 -5.525 9.653 309 HB2 TRP 38 1HB TRP 38 56.873 -5.841 7.850 310 HB3 TRP 38 2HB TRP 38 58.119 -5.491 6.668 311 HD1 TRP 38 HD1 TRP 38 59.507 -7.456 5.838 312 HE1 TRP 38 HE1 TRP 38 59.761 -9.929 6.514 313 HE3 TRP 38 HE3 TRP 38 56.774 -7.474 10.151 314 HZ2 TRP 38 HZ2 TRP 38 58.915 -11.687 8.611 315 HZ3 TRP 38 HZ3 TRP 38 56.515 -9.556 11.465 316 HH2 TRP 38 HH2 TRP 38 57.580 -11.660 10.705 317 H HIS 39 H HIS 39 60.012 -3.471 7.167 318 HA HIS 39 HA HIS 39 62.535 -4.867 7.295 319 HB2 HIS 39 1HB HIS 39 61.845 -2.083 6.337 320 HB3 HIS 39 2HB HIS 39 63.416 -2.838 6.153 321 HD1 HIS 39 HD1 HIS 39 63.341 -5.175 4.697 322 HD2 HIS 39 HD2 HIS 39 60.129 -2.557 4.237 323 HE1 HIS 39 HE1 HIS 39 62.182 -5.836 2.546 324 H GLY 40 H GLY 40 61.753 -1.512 8.264 325 HA2 GLY 40 1HA GLY 40 62.605 -2.207 10.985 326 HA3 GLY 40 2HA GLY 40 63.340 -0.796 10.227 327 H GLN 41 H GLN 41 60.737 -1.805 12.136 328 HA GLN 41 HA GLN 41 58.909 0.227 11.791 329 HB2 GLN 41 1HB GLN 41 58.793 -1.522 13.562 330 HB3 GLN 41 2HB GLN 41 60.044 -0.657 14.455 331 HG2 GLN 41 1HG GLN 41 58.608 1.330 14.584 332 HG3 GLN 41 2HG GLN 41 57.364 0.507 13.650 333 HE21 GLN 41 1HE2 GLN 41 56.572 1.415 16.115 334 HE22 GLN 41 2HE2 GLN 41 56.422 0.133 17.215 335 H LYS 42 H LYS 42 58.780 2.379 12.285 336 HA LYS 42 HA LYS 42 59.623 4.527 12.271 337 HB2 LYS 42 1HB LYS 42 60.271 3.307 14.935 338 HB3 LYS 42 2HB LYS 42 60.609 5.007 14.609 339 HG2 LYS 42 1HG LYS 42 58.191 5.204 13.821 340 HG3 LYS 42 2HG LYS 42 57.931 3.605 14.518 341 HD2 LYS 42 1HD LYS 42 57.318 5.146 16.230 342 HD3 LYS 42 2HD LYS 42 58.914 4.546 16.686 343 HE2 LYS 42 1HE LYS 42 59.990 6.532 15.925 344 HE3 LYS 42 2HE LYS 42 58.547 7.073 15.068 345 HZ1 LYS 42 1HZ LYS 42 58.269 6.593 17.927 346 HZ2 LYS 42 2HZ LYS 42 57.583 7.806 16.955 347 HZ3 LYS 42 3HZ LYS 42 59.195 7.942 17.476 348 HA PRO 43 HA PRO 43 64.042 3.042 11.264 349 HB2 PRO 43 1HB PRO 43 63.576 4.595 8.772 350 HB3 PRO 43 2HB PRO 43 64.271 2.979 8.986 351 HG2 PRO 43 1HG PRO 43 61.820 3.356 7.997 352 HG3 PRO 43 2HG PRO 43 62.237 1.954 8.996 353 HD2 PRO 43 1HD PRO 43 60.659 4.378 9.730 354 HD3 PRO 43 2HD PRO 43 60.500 2.703 10.302 355 H GLY 44 H GLY 44 65.850 4.257 11.643 356 HA2 GLY 44 1HA GLY 44 65.691 6.843 12.701 357 HA3 GLY 44 2HA GLY 44 67.170 6.067 12.153 358 H THR 45 H THR 45 66.031 5.807 9.370 359 HA THR 45 HA THR 45 67.227 8.065 8.240 360 HB THR 45 HB THR 45 65.078 6.344 6.982 361 HG1 THR 45 HG1 THR 45 66.538 4.851 6.846 362 HG21 THR 45 1HG2 THR 45 67.352 7.964 5.797 363 HG22 THR 45 2HG2 THR 45 65.644 8.399 5.735 364 HG23 THR 45 3HG2 THR 45 66.219 6.963 4.888 365 H HIS 46 H HIS 46 66.457 9.975 7.407 366 HA HIS 46 HA HIS 46 64.240 11.182 8.687 367 HB2 HIS 46 1HB HIS 46 64.618 13.033 7.095 368 HB3 HIS 46 2HB HIS 46 66.088 12.515 7.897 369 HD1 HIS 46 HD1 HIS 46 67.662 10.869 6.396 370 HD2 HIS 46 HD2 HIS 46 64.770 13.054 4.337 371 HE1 HIS 46 HE1 HIS 46 68.340 10.832 3.958 Start of MODEL 16 1 H ARG 1 3H ARG 1 39.660 30.226 -7.403 2 HA ARG 1 HA ARG 1 38.280 28.459 -7.426 3 HB2 ARG 1 1HB ARG 1 36.478 30.720 -8.347 4 HB3 ARG 1 2HB ARG 1 35.921 29.225 -7.594 5 HG2 ARG 1 1HG ARG 1 37.270 29.741 -5.585 6 HG3 ARG 1 2HG ARG 1 37.789 31.252 -6.331 7 HD2 ARG 1 1HD ARG 1 35.950 31.777 -4.870 8 HD3 ARG 1 2HD ARG 1 35.358 31.894 -6.525 9 HE ARG 1 HE ARG 1 34.916 29.274 -5.564 10 HH11 ARG 1 1HH1 ARG 1 33.701 32.532 -5.076 11 HH12 ARG 1 2HH1 ARG 1 32.136 31.980 -4.579 12 HH21 ARG 1 1HH2 ARG 1 32.883 28.625 -4.915 13 HH22 ARG 1 2HH2 ARG 1 31.681 29.796 -4.489 14 H SER 2 H SER 2 39.131 27.172 -9.128 15 HA SER 2 HA SER 2 38.592 27.454 -11.855 16 HB2 SER 2 1HB SER 2 40.248 25.869 -10.786 17 HB3 SER 2 2HB SER 2 38.888 24.820 -10.404 18 HG SER 2 HG SER 2 39.321 25.806 -13.016 19 H LEU 3 H LEU 3 37.018 26.641 -13.217 20 HA LEU 3 HA LEU 3 34.374 26.583 -12.319 21 HB2 LEU 3 1HB LEU 3 35.121 27.014 -14.658 22 HB3 LEU 3 2HB LEU 3 35.455 25.292 -14.829 23 HG LEU 3 HG LEU 3 33.051 24.845 -14.206 24 HD11 LEU 3 1HD1 LEU 3 32.418 26.837 -13.061 25 HD12 LEU 3 2HD1 LEU 3 31.537 26.883 -14.588 26 HD13 LEU 3 3HD1 LEU 3 32.988 27.863 -14.378 27 HD21 LEU 3 1HD2 LEU 3 33.763 24.825 -16.549 28 HD22 LEU 3 2HD2 LEU 3 33.588 26.578 -16.639 29 HD23 LEU 3 3HD2 LEU 3 32.164 25.559 -16.425 30 H LEU 4 H LEU 4 36.720 23.987 -12.443 31 HA LEU 4 HA LEU 4 35.000 21.770 -12.555 32 HB2 LEU 4 1HB LEU 4 37.723 22.162 -11.333 33 HB3 LEU 4 2HB LEU 4 36.892 20.606 -11.295 34 HG LEU 4 HG LEU 4 36.574 21.007 -13.862 35 HD11 LEU 4 1HD1 LEU 4 37.354 23.228 -14.121 36 HD12 LEU 4 2HD1 LEU 4 38.682 22.232 -14.716 37 HD13 LEU 4 3HD1 LEU 4 38.764 22.940 -13.103 38 HD21 LEU 4 1HD2 LEU 4 39.409 20.459 -12.999 39 HD22 LEU 4 2HD2 LEU 4 38.465 19.662 -14.257 40 HD23 LEU 4 3HD2 LEU 4 38.110 19.351 -12.557 41 H GLU 5 H GLU 5 35.698 23.944 -9.920 42 HA GLU 5 HA GLU 5 34.609 22.152 -7.904 43 HB2 GLU 5 1HB GLU 5 35.553 25.016 -7.736 44 HB3 GLU 5 2HB GLU 5 35.041 24.040 -6.359 45 HG2 GLU 5 1HG GLU 5 36.794 22.369 -6.930 46 HG3 GLU 5 2HG GLU 5 37.339 23.417 -8.232 47 H GLY 6 H GLY 6 33.334 24.570 -10.018 48 HA2 GLY 6 1HA GLY 6 31.061 25.134 -8.280 49 HA3 GLY 6 2HA GLY 6 31.404 25.888 -9.825 50 H GLU 7 H GLU 7 31.644 22.535 -10.252 51 HA GLU 7 HA GLU 7 29.043 22.499 -11.571 52 HB2 GLU 7 1HB GLU 7 31.108 21.578 -12.667 53 HB3 GLU 7 2HB GLU 7 31.135 20.316 -11.434 54 HG2 GLU 7 1HG GLU 7 28.833 19.650 -12.107 55 HG3 GLU 7 2HG GLU 7 28.880 20.854 -13.386 56 H ILE 8 H ILE 8 27.399 20.999 -11.077 57 HA ILE 8 HA ILE 8 27.227 20.484 -8.253 58 HB ILE 8 HB ILE 8 25.245 19.867 -10.457 59 HG12 ILE 8 1HG1 ILE 8 24.161 21.958 -9.175 60 HG13 ILE 8 2HG1 ILE 8 25.850 22.301 -8.809 61 HG21 ILE 8 1HG2 ILE 8 23.614 19.636 -8.684 62 HG22 ILE 8 2HG2 ILE 8 24.803 20.099 -7.466 63 HG23 ILE 8 3HG2 ILE 8 24.967 18.566 -8.318 64 HD11 ILE 8 1HD1 ILE 8 26.396 22.668 -11.031 65 HD12 ILE 8 2HD1 ILE 8 24.727 23.234 -11.015 66 HD13 ILE 8 3HD1 ILE 8 25.105 21.625 -11.629 67 HA PRO 9 HA PRO 9 28.342 16.079 -8.663 68 HB2 PRO 9 1HB PRO 9 27.124 15.108 -6.400 69 HB3 PRO 9 2HB PRO 9 28.706 15.910 -6.399 70 HG2 PRO 9 1HG PRO 9 26.034 17.008 -5.697 71 HG3 PRO 9 2HG PRO 9 27.609 17.285 -4.931 72 HD2 PRO 9 1HD PRO 9 26.496 19.097 -6.613 73 HD3 PRO 9 2HD PRO 9 28.253 18.872 -6.489 74 H PHE 10 H PHE 10 27.254 14.124 -9.311 75 HA PHE 10 HA PHE 10 24.832 14.424 -10.656 76 HB2 PHE 10 1HB PHE 10 25.983 11.864 -9.537 77 HB3 PHE 10 2HB PHE 10 24.764 11.979 -10.791 78 HD1 PHE 10 HD1 PHE 10 28.323 12.500 -9.966 79 HD2 PHE 10 HD2 PHE 10 25.352 12.560 -13.067 80 HE1 PHE 10 HE1 PHE 10 30.114 12.593 -11.680 81 HE2 PHE 10 HE2 PHE 10 27.142 12.654 -14.782 82 HZ PHE 10 HZ PHE 10 29.523 12.670 -14.088 83 HA PRO 11 HA PRO 11 21.848 14.924 -7.719 84 HB2 PRO 11 1HB PRO 11 20.033 12.853 -8.826 85 HB3 PRO 11 2HB PRO 11 19.783 14.596 -8.617 86 HG2 PRO 11 1HG PRO 11 20.214 13.491 -11.010 87 HG3 PRO 11 2HG PRO 11 20.786 15.117 -10.596 88 HD2 PRO 11 1HD PRO 11 22.343 12.583 -10.845 89 HD3 PRO 11 2HD PRO 11 22.832 14.259 -11.184 90 HA PRO 12 HA PRO 12 21.233 10.620 -5.512 91 HB2 PRO 12 1HB PRO 12 23.615 9.184 -6.568 92 HB3 PRO 12 2HB PRO 12 22.003 8.560 -6.168 93 HG2 PRO 12 1HG PRO 12 22.791 8.862 -8.689 94 HG3 PRO 12 2HG PRO 12 21.115 9.161 -8.192 95 HD2 PRO 12 1HD PRO 12 23.262 11.142 -8.842 96 HD3 PRO 12 2HD PRO 12 21.513 11.232 -9.148 97 H THR 13 H THR 13 21.975 10.993 -3.477 98 HA THR 13 HA THR 13 24.451 12.151 -2.793 99 HB THR 13 HB THR 13 22.577 12.095 -1.240 100 HG1 THR 13 HG1 THR 13 23.839 11.816 0.458 101 HG21 THR 13 1HG2 THR 13 21.950 9.966 -0.139 102 HG22 THR 13 2HG2 THR 13 23.060 9.102 -1.203 103 HG23 THR 13 3HG2 THR 13 21.646 9.915 -1.876 104 H SER 14 H SER 14 23.697 8.895 -3.747 105 HA SER 14 HA SER 14 25.415 7.471 -2.043 106 HB2 SER 14 1HB SER 14 24.577 6.743 -4.858 107 HB3 SER 14 2HB SER 14 25.190 5.638 -3.631 108 HG SER 14 HG SER 14 22.717 6.265 -4.027 109 H ILE 15 H ILE 15 26.055 9.155 -5.095 110 HA ILE 15 HA ILE 15 28.505 7.870 -5.669 111 HB ILE 15 HB ILE 15 29.010 9.750 -7.121 112 HG12 ILE 15 1HG1 ILE 15 26.618 11.126 -5.854 113 HG13 ILE 15 2HG1 ILE 15 28.296 11.550 -5.536 114 HG21 ILE 15 1HG2 ILE 15 27.314 8.095 -7.834 115 HG22 ILE 15 2HG2 ILE 15 26.983 9.693 -8.502 116 HG23 ILE 15 3HG2 ILE 15 26.049 9.100 -7.128 117 HD11 ILE 15 1HD1 ILE 15 26.701 12.626 -7.536 118 HD12 ILE 15 2HD1 ILE 15 27.721 11.489 -8.413 119 HD13 ILE 15 3HD1 ILE 15 28.452 12.754 -7.429 120 H LEU 16 H LEU 16 27.750 10.611 -3.544 121 HA LEU 16 HA LEU 16 30.407 11.282 -2.861 122 HB2 LEU 16 1HB LEU 16 28.409 12.616 -2.229 123 HB3 LEU 16 2HB LEU 16 27.958 11.354 -1.084 124 HG LEU 16 HG LEU 16 30.229 11.666 -0.001 125 HD11 LEU 16 1HD1 LEU 16 31.081 14.114 -0.526 126 HD12 LEU 16 2HD1 LEU 16 30.292 13.832 -2.077 127 HD13 LEU 16 3HD1 LEU 16 31.586 12.763 -1.538 128 HD21 LEU 16 1HD2 LEU 16 28.515 14.165 -0.040 129 HD22 LEU 16 2HD2 LEU 16 29.501 13.565 1.293 130 HD23 LEU 16 3HD2 LEU 16 28.051 12.688 0.805 131 H LEU 17 H LEU 17 28.206 8.791 -1.625 132 HA LEU 17 HA LEU 17 29.829 7.890 0.494 133 HB2 LEU 17 1HB LEU 17 27.448 7.207 0.078 134 HB3 LEU 17 2HB LEU 17 28.034 6.148 -1.205 135 HG LEU 17 HG LEU 17 29.581 5.101 0.513 136 HD11 LEU 17 1HD1 LEU 17 28.630 5.422 2.907 137 HD12 LEU 17 2HD1 LEU 17 27.922 6.906 2.271 138 HD13 LEU 17 3HD1 LEU 17 29.672 6.688 2.258 139 HD21 LEU 17 1HD2 LEU 17 27.686 3.817 1.605 140 HD22 LEU 17 2HD2 LEU 17 27.590 3.912 -0.153 141 HD23 LEU 17 3HD2 LEU 17 26.571 4.951 0.844 142 H LEU 18 H LEU 18 29.882 7.095 -2.956 143 HA LEU 18 HA LEU 18 31.748 4.986 -2.808 144 HB2 LEU 18 1HB LEU 18 30.955 6.918 -4.956 145 HB3 LEU 18 2HB LEU 18 32.373 5.911 -5.202 146 HG LEU 18 HG LEU 18 30.299 4.924 -6.150 147 HD11 LEU 18 1HD1 LEU 18 32.286 3.596 -5.125 148 HD12 LEU 18 2HD1 LEU 18 30.798 2.733 -5.517 149 HD13 LEU 18 3HD1 LEU 18 31.141 3.189 -3.848 150 HD21 LEU 18 1HD2 LEU 18 28.582 4.019 -4.640 151 HD22 LEU 18 2HD2 LEU 18 28.698 5.769 -4.476 152 HD23 LEU 18 3HD2 LEU 18 29.419 4.719 -3.254 153 H LEU 19 H LEU 19 32.219 8.497 -2.963 154 HA LEU 19 HA LEU 19 35.035 8.472 -3.099 155 HB2 LEU 19 1HB LEU 19 33.239 10.462 -1.689 156 HB3 LEU 19 2HB LEU 19 34.928 10.729 -2.124 157 HG LEU 19 HG LEU 19 32.743 10.071 -4.120 158 HD11 LEU 19 1HD1 LEU 19 32.173 12.237 -3.481 159 HD12 LEU 19 2HD1 LEU 19 33.336 12.565 -4.765 160 HD13 LEU 19 3HD1 LEU 19 33.834 12.667 -3.076 161 HD21 LEU 19 1HD2 LEU 19 34.833 9.405 -5.027 162 HD22 LEU 19 2HD2 LEU 19 35.671 10.786 -4.321 163 HD23 LEU 19 3HD2 LEU 19 34.571 11.023 -5.679 164 H ALA 20 H ALA 20 32.858 8.084 -0.344 165 HA ALA 20 HA ALA 20 34.803 8.109 1.695 166 HB1 ALA 20 1HB ALA 20 33.182 7.122 3.078 167 HB2 ALA 20 2HB ALA 20 32.437 6.250 1.738 168 HB3 ALA 20 3HB ALA 20 32.225 7.995 1.882 169 H CYS 21 H CYS 21 33.675 5.490 -0.413 170 HA CYS 21 HA CYS 21 35.157 3.399 0.749 171 HB2 CYS 21 1HB CYS 21 34.428 3.788 -2.164 172 HB3 CYS 21 2HB CYS 21 34.935 2.270 -1.424 173 HG CYS 21 HG CYS 21 32.734 2.680 0.201 174 H ILE 22 H ILE 22 36.062 5.821 -1.680 175 HA ILE 22 HA ILE 22 38.596 4.781 -2.330 176 HB ILE 22 HB ILE 22 37.746 7.687 -2.212 177 HG12 ILE 22 1HG1 ILE 22 37.723 5.746 -4.543 178 HG13 ILE 22 2HG1 ILE 22 36.292 6.174 -3.606 179 HG21 ILE 22 1HG2 ILE 22 39.945 6.313 -3.792 180 HG22 ILE 22 2HG2 ILE 22 40.200 7.355 -2.392 181 HG23 ILE 22 3HG2 ILE 22 39.525 8.024 -3.877 182 HD11 ILE 22 1HD1 ILE 22 36.863 8.618 -4.152 183 HD12 ILE 22 2HD1 ILE 22 36.254 7.634 -5.483 184 HD13 ILE 22 3HD1 ILE 22 37.980 7.971 -5.353 185 H PHE 23 H PHE 23 37.554 6.861 0.367 186 HA PHE 23 HA PHE 23 40.107 7.292 1.488 187 HB2 PHE 23 1HB PHE 23 37.984 8.365 2.253 188 HB3 PHE 23 2HB PHE 23 37.536 6.847 3.005 189 HD1 PHE 23 HD1 PHE 23 39.920 9.676 3.087 190 HD2 PHE 23 HD2 PHE 23 38.506 6.151 5.093 191 HE1 PHE 23 HE1 PHE 23 41.174 10.333 5.123 192 HE2 PHE 23 HE2 PHE 23 39.759 6.808 7.131 193 HZ PHE 23 HZ PHE 23 41.093 8.899 7.145 194 H LEU 24 H LEU 24 37.925 4.511 1.684 195 HA LEU 24 HA LEU 24 39.244 3.175 3.788 196 HB2 LEU 24 1HB LEU 24 36.982 2.597 2.896 197 HB3 LEU 24 2HB LEU 24 37.765 1.902 1.479 198 HG LEU 24 HG LEU 24 39.129 0.497 3.194 199 HD11 LEU 24 1HD1 LEU 24 36.699 1.054 4.901 200 HD12 LEU 24 2HD1 LEU 24 38.214 1.928 5.122 201 HD13 LEU 24 3HD1 LEU 24 38.165 0.180 5.344 202 HD21 LEU 24 1HD2 LEU 24 37.344 -1.202 3.245 203 HD22 LEU 24 2HD2 LEU 24 37.409 -0.415 1.668 204 HD23 LEU 24 3HD2 LEU 24 36.154 0.030 2.825 205 H ILE 25 H ILE 25 39.730 2.999 0.259 206 HA ILE 25 HA ILE 25 41.734 1.001 0.438 207 HB ILE 25 HB ILE 25 42.425 1.565 -1.817 208 HG12 ILE 25 1HG1 ILE 25 40.373 3.751 -1.912 209 HG13 ILE 25 2HG1 ILE 25 42.017 4.123 -1.387 210 HG21 ILE 25 1HG2 ILE 25 39.418 1.687 -1.471 211 HG22 ILE 25 2HG2 ILE 25 40.387 0.214 -1.413 212 HG23 ILE 25 3HG2 ILE 25 40.282 1.142 -2.909 213 HD11 ILE 25 1HD1 ILE 25 41.207 2.843 -4.014 214 HD12 ILE 25 2HD1 ILE 25 42.873 3.088 -3.489 215 HD13 ILE 25 3HD1 ILE 25 41.832 4.478 -3.795 216 H LYS 26 H LYS 26 41.924 4.506 0.788 217 HA LYS 26 HA LYS 26 44.725 4.737 0.762 218 HB2 LYS 26 1HB LYS 26 43.135 6.654 0.848 219 HB3 LYS 26 2HB LYS 26 42.794 6.255 2.531 220 HG2 LYS 26 1HG LYS 26 44.453 7.953 2.625 221 HG3 LYS 26 2HG LYS 26 45.324 6.452 2.927 222 HD2 LYS 26 1HD LYS 26 46.042 6.358 0.589 223 HD3 LYS 26 2HD LYS 26 45.105 7.808 0.225 224 HE2 LYS 26 1HE LYS 26 47.370 8.527 0.545 225 HE3 LYS 26 2HE LYS 26 46.482 9.005 1.991 226 HZ1 LYS 26 1HZ LYS 26 48.763 7.590 2.004 227 HZ2 LYS 26 2HZ LYS 26 47.606 6.349 2.095 228 HZ3 LYS 26 3HZ LYS 26 47.624 7.585 3.261 229 H ILE 27 H ILE 27 42.512 3.713 3.344 230 HA ILE 27 HA ILE 27 44.438 3.461 5.394 231 HB ILE 27 HB ILE 27 42.020 1.694 4.937 232 HG12 ILE 27 1HG1 ILE 27 42.282 4.221 6.592 233 HG13 ILE 27 2HG1 ILE 27 41.545 4.167 4.991 234 HG21 ILE 27 1HG2 ILE 27 43.543 2.380 7.468 235 HG22 ILE 27 2HG2 ILE 27 43.664 0.847 6.606 236 HG23 ILE 27 3HG2 ILE 27 42.138 1.321 7.352 237 HD11 ILE 27 1HD1 ILE 27 40.563 2.975 7.566 238 HD12 ILE 27 2HD1 ILE 27 40.100 2.233 6.035 239 HD13 ILE 27 3HD1 ILE 27 39.676 3.913 6.364 240 H LEU 28 H LEU 28 43.544 1.263 2.761 241 HA LEU 28 HA LEU 28 45.176 -0.910 3.491 242 HB2 LEU 28 1HB LEU 28 43.459 -0.768 1.608 243 HB3 LEU 28 2HB LEU 28 44.732 -0.028 0.641 244 HG LEU 28 HG LEU 28 45.386 -2.575 2.075 245 HD11 LEU 28 1HD1 LEU 28 44.372 -3.969 0.422 246 HD12 LEU 28 2HD1 LEU 28 43.934 -2.583 -0.578 247 HD13 LEU 28 3HD1 LEU 28 43.112 -2.858 0.957 248 HD21 LEU 28 1HD2 LEU 28 46.466 -2.840 -0.346 249 HD22 LEU 28 2HD2 LEU 28 47.224 -1.819 0.869 250 HD23 LEU 28 3HD2 LEU 28 46.231 -1.093 -0.391 251 H ALA 29 H ALA 29 45.967 2.103 1.832 252 HA ALA 29 HA ALA 29 48.615 1.475 1.103 253 HB1 ALA 29 1HB ALA 29 47.136 3.560 0.549 254 HB2 ALA 29 2HB ALA 29 48.887 3.740 0.660 255 HB3 ALA 29 3HB ALA 29 47.862 4.232 2.009 256 H ALA 30 H ALA 30 47.273 2.766 4.120 257 HA ALA 30 HA ALA 30 49.710 3.238 5.451 258 HB1 ALA 30 1HB ALA 30 47.368 2.151 6.964 259 HB2 ALA 30 2HB ALA 30 47.204 3.706 6.148 260 HB3 ALA 30 3HB ALA 30 48.450 3.482 7.376 261 H SER 31 H SER 31 47.758 0.292 5.157 262 HA SER 31 HA SER 31 49.347 -1.398 6.749 263 HB2 SER 31 1HB SER 31 47.869 -2.142 4.215 264 HB3 SER 31 2HB SER 31 48.377 -3.239 5.493 265 HG SER 31 HG SER 31 46.981 -2.160 6.899 266 H ALA 32 H ALA 32 49.771 -0.277 3.418 267 HA ALA 32 HA ALA 32 51.789 -2.099 2.655 268 HB1 ALA 32 1HB ALA 32 51.598 0.780 1.757 269 HB2 ALA 32 2HB ALA 32 50.536 -0.490 1.148 270 HB3 ALA 32 3HB ALA 32 52.275 -0.585 0.871 271 H LEU 33 H LEU 33 51.954 1.068 4.274 272 HA LEU 33 HA LEU 33 54.760 1.280 4.362 273 HB2 LEU 33 1HB LEU 33 52.754 2.249 6.413 274 HB3 LEU 33 2HB LEU 33 54.414 2.817 6.241 275 HG LEU 33 HG LEU 33 52.300 3.014 4.076 276 HD11 LEU 33 1HD1 LEU 33 51.897 4.456 6.110 277 HD12 LEU 33 2HD1 LEU 33 52.167 5.365 4.624 278 HD13 LEU 33 3HD1 LEU 33 53.463 5.211 5.810 279 HD21 LEU 33 1HD2 LEU 33 54.474 2.949 3.075 280 HD22 LEU 33 2HD2 LEU 33 55.158 3.977 4.334 281 HD23 LEU 33 3HD2 LEU 33 54.035 4.655 3.155 282 H TRP 34 H TRP 34 52.487 -0.393 6.524 283 HA TRP 34 HA TRP 34 54.356 -1.247 8.451 284 HB2 TRP 34 1HB TRP 34 51.873 -1.521 8.593 285 HB3 TRP 34 2HB TRP 34 51.999 -2.832 7.436 286 HD1 TRP 34 HD1 TRP 34 52.401 -5.158 8.383 287 HE1 TRP 34 HE1 TRP 34 53.028 -6.111 10.693 288 HE3 TRP 34 HE3 TRP 34 53.383 -0.818 10.888 289 HZ2 TRP 34 HZ2 TRP 34 53.840 -5.158 13.269 290 HZ3 TRP 34 HZ3 TRP 34 54.080 -0.869 13.263 291 HH2 TRP 34 HH2 TRP 34 54.309 -3.028 14.457 292 H ALA 35 H ALA 35 53.599 -2.535 5.253 293 HA ALA 35 HA ALA 35 55.140 -4.888 5.398 294 HB1 ALA 35 1HB ALA 35 53.521 -3.984 3.536 295 HB2 ALA 35 2HB ALA 35 54.859 -5.049 3.104 296 HB3 ALA 35 3HB ALA 35 55.003 -3.309 2.858 297 H ALA 36 H ALA 36 56.045 -1.563 4.603 298 HA ALA 36 HA ALA 36 58.664 -2.078 3.711 299 HB1 ALA 36 1HB ALA 36 57.363 0.126 3.619 300 HB2 ALA 36 2HB ALA 36 59.081 0.237 4.003 301 HB3 ALA 36 3HB ALA 36 57.879 0.371 5.287 302 H ALA 37 H ALA 37 57.399 -1.488 6.974 303 HA ALA 37 HA ALA 37 59.870 -1.637 8.336 304 HB1 ALA 37 1HB ALA 37 57.477 -0.987 9.179 305 HB2 ALA 37 2HB ALA 37 58.628 -1.725 10.293 306 HB3 ALA 37 3HB ALA 37 57.355 -2.703 9.566 307 H TRP 38 H TRP 38 57.568 -4.150 7.396 308 HA TRP 38 HA TRP 38 58.702 -6.340 8.684 309 HB2 TRP 38 1HB TRP 38 56.524 -6.332 7.515 310 HB3 TRP 38 2HB TRP 38 57.370 -6.316 5.980 311 HD1 TRP 38 HD1 TRP 38 58.238 -8.561 5.051 312 HE1 TRP 38 HE1 TRP 38 58.089 -11.007 5.847 313 HE3 TRP 38 HE3 TRP 38 56.482 -7.839 9.791 314 HZ2 TRP 38 HZ2 TRP 38 57.323 -12.468 8.189 315 HZ3 TRP 38 HZ3 TRP 38 56.052 -9.769 11.280 316 HH2 TRP 38 HH2 TRP 38 56.470 -12.080 10.488 317 H HIS 39 H HIS 39 59.701 -4.803 5.657 318 HA HIS 39 HA HIS 39 61.753 -6.771 5.155 319 HB2 HIS 39 1HB HIS 39 61.394 -3.956 4.111 320 HB3 HIS 39 2HB HIS 39 62.607 -5.085 3.538 321 HD1 HIS 39 HD1 HIS 39 61.513 -7.424 2.539 322 HD2 HIS 39 HD2 HIS 39 59.029 -4.080 2.711 323 HE1 HIS 39 HE1 HIS 39 59.582 -7.886 0.970 324 H GLY 40 H GLY 40 62.033 -3.292 5.909 325 HA2 GLY 40 1HA GLY 40 63.663 -4.016 8.239 326 HA3 GLY 40 2HA GLY 40 64.323 -2.847 7.097 327 H GLN 41 H GLN 41 62.454 -3.159 9.892 328 HA GLN 41 HA GLN 41 61.040 -0.816 10.004 329 HB2 GLN 41 1HB GLN 41 61.362 -2.410 11.899 330 HB3 GLN 41 2HB GLN 41 62.979 -1.746 12.136 331 HG2 GLN 41 1HG GLN 41 61.945 0.518 12.428 332 HG3 GLN 41 2HG GLN 41 60.357 -0.243 12.355 333 HE21 GLN 41 1HE2 GLN 41 59.524 -0.631 14.403 334 HE22 GLN 41 2HE2 GLN 41 60.446 -1.015 15.775 335 H LYS 42 H LYS 42 61.516 1.379 10.386 336 HA LYS 42 HA LYS 42 63.592 2.377 8.841 337 HB2 LYS 42 1HB LYS 42 61.855 3.632 10.951 338 HB3 LYS 42 2HB LYS 42 63.093 4.568 10.110 339 HG2 LYS 42 1HG LYS 42 62.001 3.536 7.951 340 HG3 LYS 42 2HG LYS 42 60.608 3.294 9.005 341 HD2 LYS 42 1HD LYS 42 60.291 5.579 9.340 342 HD3 LYS 42 2HD LYS 42 61.968 5.970 8.960 343 HE2 LYS 42 1HE LYS 42 61.348 5.035 6.580 344 HE3 LYS 42 2HE LYS 42 59.694 5.379 7.091 345 HZ1 LYS 42 1HZ LYS 42 61.073 7.204 5.916 346 HZ2 LYS 42 2HZ LYS 42 61.788 7.415 7.443 347 HZ3 LYS 42 3HZ LYS 42 60.112 7.619 7.252 348 HA PRO 43 HA PRO 43 67.178 2.115 11.506 349 HB2 PRO 43 1HB PRO 43 67.998 4.798 10.523 350 HB3 PRO 43 2HB PRO 43 68.874 3.256 10.469 351 HG2 PRO 43 1HG PRO 43 67.796 4.332 8.286 352 HG3 PRO 43 2HG PRO 43 67.840 2.578 8.543 353 HD2 PRO 43 1HD PRO 43 65.527 4.458 8.813 354 HD3 PRO 43 2HD PRO 43 65.558 2.776 8.236 355 H GLY 44 H GLY 44 67.765 2.785 13.556 356 HA2 GLY 44 1HA GLY 44 66.085 4.394 15.106 357 HA3 GLY 44 2HA GLY 44 67.739 3.965 15.535 358 H THR 45 H THR 45 66.234 6.533 15.841 359 HA THR 45 HA THR 45 67.011 8.464 13.976 360 HB THR 45 HB THR 45 66.716 8.869 16.960 361 HG1 THR 45 HG1 THR 45 64.854 7.958 16.308 362 HG21 THR 45 1HG2 THR 45 67.645 10.817 15.891 363 HG22 THR 45 2HG2 THR 45 65.933 11.138 16.169 364 HG23 THR 45 3HG2 THR 45 66.497 10.698 14.557 365 H HIS 46 H HIS 46 68.766 9.821 13.783 366 HA HIS 46 HA HIS 46 71.215 8.918 15.165 367 HB2 HIS 46 1HB HIS 46 71.179 8.793 12.692 368 HB3 HIS 46 2HB HIS 46 70.902 10.523 12.624 369 HD1 HIS 46 HD1 HIS 46 73.493 8.165 14.153 370 HD2 HIS 46 HD2 HIS 46 73.260 11.906 12.329 371 HE1 HIS 46 HE1 HIS 46 75.868 9.021 13.972 Start of MODEL 17 1 H ARG 1 3H ARG 1 40.749 26.433 -7.676 2 HA ARG 1 HA ARG 1 42.182 24.929 -6.371 3 HB2 ARG 1 1HB ARG 1 39.516 23.573 -5.863 4 HB3 ARG 1 2HB ARG 1 41.092 22.881 -5.474 5 HG2 ARG 1 1HG ARG 1 41.564 24.808 -3.994 6 HG3 ARG 1 2HG ARG 1 39.969 25.468 -4.359 7 HD2 ARG 1 1HD ARG 1 39.787 24.281 -2.272 8 HD3 ARG 1 2HD ARG 1 38.973 23.317 -3.500 9 HE ARG 1 HE ARG 1 41.774 22.667 -3.017 10 HH11 ARG 1 1HH1 ARG 1 38.429 21.874 -2.306 11 HH12 ARG 1 2HH1 ARG 1 38.820 20.277 -1.759 12 HH21 ARG 1 1HH2 ARG 1 42.215 20.601 -2.301 13 HH22 ARG 1 2HH2 ARG 1 40.937 19.567 -1.757 14 H SER 2 H SER 2 42.879 22.915 -7.375 15 HA SER 2 HA SER 2 42.565 22.871 -10.153 16 HB2 SER 2 1HB SER 2 43.808 20.794 -10.102 17 HB3 SER 2 2HB SER 2 44.476 21.894 -8.901 18 HG SER 2 HG SER 2 43.920 20.516 -7.414 19 H LEU 3 H LEU 3 40.603 21.352 -7.687 20 HA LEU 3 HA LEU 3 39.488 19.232 -9.124 21 HB2 LEU 3 1HB LEU 3 39.186 19.655 -6.694 22 HB3 LEU 3 2HB LEU 3 38.092 20.979 -7.091 23 HG LEU 3 HG LEU 3 36.693 19.324 -8.386 24 HD11 LEU 3 1HD1 LEU 3 37.141 16.894 -7.532 25 HD12 LEU 3 2HD1 LEU 3 38.773 17.487 -7.223 26 HD13 LEU 3 3HD1 LEU 3 38.117 17.521 -8.860 27 HD21 LEU 3 1HD2 LEU 3 35.828 18.184 -6.274 28 HD22 LEU 3 2HD2 LEU 3 35.931 19.943 -6.201 29 HD23 LEU 3 3HD2 LEU 3 37.165 18.953 -5.420 30 H LEU 4 H LEU 4 38.892 22.661 -9.447 31 HA LEU 4 HA LEU 4 36.292 22.633 -10.503 32 HB2 LEU 4 1HB LEU 4 38.565 24.510 -11.187 33 HB3 LEU 4 2HB LEU 4 36.851 24.814 -11.465 34 HG LEU 4 HG LEU 4 38.094 24.319 -8.742 35 HD11 LEU 4 1HD1 LEU 4 38.751 26.487 -9.861 36 HD12 LEU 4 2HD1 LEU 4 37.844 26.694 -8.363 37 HD13 LEU 4 3HD1 LEU 4 37.039 26.906 -9.919 38 HD21 LEU 4 1HD2 LEU 4 35.795 23.654 -8.699 39 HD22 LEU 4 2HD2 LEU 4 35.308 25.028 -9.690 40 HD23 LEU 4 3HD2 LEU 4 35.832 25.284 -8.027 41 H GLU 5 H GLU 5 39.314 21.713 -11.971 42 HA GLU 5 HA GLU 5 38.294 21.958 -14.684 43 HB2 GLU 5 1HB GLU 5 40.912 20.880 -13.629 44 HB3 GLU 5 2HB GLU 5 40.520 21.107 -15.334 45 HG2 GLU 5 1HG GLU 5 40.107 23.526 -14.876 46 HG3 GLU 5 2HG GLU 5 40.636 23.270 -13.213 47 H GLY 6 H GLY 6 38.339 19.476 -12.280 48 HA2 GLY 6 1HA GLY 6 38.202 17.334 -14.253 49 HA3 GLY 6 2HA GLY 6 38.240 17.144 -12.511 50 H GLU 7 H GLU 7 35.877 19.414 -13.227 51 HA GLU 7 HA GLU 7 33.666 19.413 -13.756 52 HB2 GLU 7 1HB GLU 7 33.687 16.384 -13.865 53 HB3 GLU 7 2HB GLU 7 32.393 17.463 -14.352 54 HG2 GLU 7 1HG GLU 7 33.876 18.497 -16.040 55 HG3 GLU 7 2HG GLU 7 35.145 17.361 -15.604 56 H ILE 8 H ILE 8 31.775 19.342 -12.524 57 HA ILE 8 HA ILE 8 32.280 18.991 -9.715 58 HB ILE 8 HB ILE 8 29.753 19.773 -11.195 59 HG12 ILE 8 1HG1 ILE 8 31.775 21.512 -9.754 60 HG13 ILE 8 2HG1 ILE 8 31.749 21.277 -11.502 61 HG21 ILE 8 1HG2 ILE 8 30.478 20.174 -8.278 62 HG22 ILE 8 2HG2 ILE 8 29.386 18.920 -8.865 63 HG23 ILE 8 3HG2 ILE 8 28.962 20.621 -9.062 64 HD11 ILE 8 1HD1 ILE 8 30.538 23.318 -10.984 65 HD12 ILE 8 2HD1 ILE 8 29.540 22.468 -9.804 66 HD13 ILE 8 3HD1 ILE 8 29.381 22.100 -11.521 67 HA PRO 9 HA PRO 9 30.506 14.827 -9.584 68 HB2 PRO 9 1HB PRO 9 29.681 14.737 -6.957 69 HB3 PRO 9 2HB PRO 9 31.356 14.469 -7.479 70 HG2 PRO 9 1HG PRO 9 30.100 16.914 -6.348 71 HG3 PRO 9 2HG PRO 9 31.704 16.223 -6.047 72 HD2 PRO 9 1HD PRO 9 31.362 18.348 -7.685 73 HD3 PRO 9 2HD PRO 9 32.620 17.130 -7.974 74 H PHE 10 H PHE 10 28.446 13.862 -9.695 75 HA PHE 10 HA PHE 10 26.322 15.488 -10.459 76 HB2 PHE 10 1HB PHE 10 26.442 12.626 -9.557 77 HB3 PHE 10 2HB PHE 10 24.925 13.374 -10.016 78 HD1 PHE 10 HD1 PHE 10 24.759 14.411 -12.364 79 HD2 PHE 10 HD2 PHE 10 27.904 11.742 -11.169 80 HE1 PHE 10 HE1 PHE 10 25.257 13.933 -14.745 81 HE2 PHE 10 HE2 PHE 10 28.404 11.263 -13.551 82 HZ PHE 10 HZ PHE 10 27.079 12.359 -15.339 83 HA PRO 11 HA PRO 11 24.792 17.280 -6.855 84 HB2 PRO 11 1HB PRO 11 21.984 16.606 -7.530 85 HB3 PRO 11 2HB PRO 11 22.749 18.183 -7.264 86 HG2 PRO 11 1HG PRO 11 22.064 17.320 -9.696 87 HG3 PRO 11 2HG PRO 11 23.485 18.343 -9.414 88 HD2 PRO 11 1HD PRO 11 23.363 15.422 -10.011 89 HD3 PRO 11 2HD PRO 11 24.594 16.626 -10.450 90 HA PRO 12 HA PRO 12 22.247 13.718 -4.630 91 HB2 PRO 12 1HB PRO 12 23.616 11.407 -5.925 92 HB3 PRO 12 2HB PRO 12 21.947 11.548 -5.339 93 HG2 PRO 12 1HG PRO 12 22.508 11.612 -7.933 94 HG3 PRO 12 2HG PRO 12 21.225 12.619 -7.236 95 HD2 PRO 12 1HD PRO 12 23.948 13.423 -8.162 96 HD3 PRO 12 2HD PRO 12 22.425 14.337 -8.203 97 H THR 13 H THR 13 23.121 13.355 -2.663 98 HA THR 13 HA THR 13 25.853 13.646 -2.081 99 HB THR 13 HB THR 13 25.270 12.844 0.160 100 HG1 THR 13 HG1 THR 13 23.842 11.186 -0.566 101 HG21 THR 13 1HG2 THR 13 24.721 15.142 -0.350 102 HG22 THR 13 2HG2 THR 13 23.388 14.459 0.581 103 HG23 THR 13 3HG2 THR 13 23.236 14.654 -1.165 104 H SER 14 H SER 14 24.126 10.835 -3.191 105 HA SER 14 HA SER 14 25.495 8.833 -1.768 106 HB2 SER 14 1HB SER 14 24.657 7.298 -3.442 107 HB3 SER 14 2HB SER 14 23.410 8.487 -3.086 108 HG SER 14 HG SER 14 23.464 8.863 -5.153 109 H ILE 15 H ILE 15 26.364 10.582 -4.728 110 HA ILE 15 HA ILE 15 28.455 8.878 -5.572 111 HB ILE 15 HB ILE 15 28.361 11.891 -5.819 112 HG12 ILE 15 1HG1 ILE 15 26.278 10.918 -6.678 113 HG13 ILE 15 2HG1 ILE 15 27.281 11.483 -8.009 114 HG21 ILE 15 1HG2 ILE 15 30.516 11.116 -6.451 115 HG22 ILE 15 2HG2 ILE 15 29.631 11.311 -7.963 116 HG23 ILE 15 3HG2 ILE 15 29.851 9.704 -7.273 117 HD11 ILE 15 1HD1 ILE 15 28.090 9.148 -8.353 118 HD12 ILE 15 2HD1 ILE 15 26.346 9.290 -8.550 119 HD13 ILE 15 3HD1 ILE 15 27.010 8.611 -7.067 120 H LEU 16 H LEU 16 28.395 11.517 -3.189 121 HA LEU 16 HA LEU 16 31.144 11.515 -2.572 122 HB2 LEU 16 1HB LEU 16 28.808 12.043 -0.721 123 HB3 LEU 16 2HB LEU 16 30.481 12.518 -0.435 124 HG LEU 16 HG LEU 16 28.809 13.433 -2.794 125 HD11 LEU 16 1HD1 LEU 16 27.889 14.519 -0.902 126 HD12 LEU 16 2HD1 LEU 16 29.066 15.674 -1.529 127 HD13 LEU 16 3HD1 LEU 16 29.464 14.682 -0.126 128 HD21 LEU 16 1HD2 LEU 16 31.624 13.962 -1.852 129 HD22 LEU 16 2HD2 LEU 16 30.761 15.167 -2.808 130 HD23 LEU 16 3HD2 LEU 16 31.061 13.561 -3.475 131 H LEU 17 H LEU 17 28.497 9.439 -1.455 132 HA LEU 17 HA LEU 17 29.900 8.122 0.602 133 HB2 LEU 17 1HB LEU 17 27.450 7.892 0.156 134 HB3 LEU 17 2HB LEU 17 27.841 6.872 -1.228 135 HG LEU 17 HG LEU 17 29.171 5.410 0.377 136 HD11 LEU 17 1HD1 LEU 17 27.748 7.230 2.330 137 HD12 LEU 17 2HD1 LEU 17 29.473 6.872 2.244 138 HD13 LEU 17 3HD1 LEU 17 28.341 5.633 2.786 139 HD21 LEU 17 1HD2 LEU 17 27.167 4.246 1.174 140 HD22 LEU 17 2HD2 LEU 17 26.897 4.839 -0.466 141 HD23 LEU 17 3HD2 LEU 17 26.197 5.694 0.909 142 H LEU 18 H LEU 18 29.815 7.522 -2.892 143 HA LEU 18 HA LEU 18 31.367 5.164 -2.884 144 HB2 LEU 18 1HB LEU 18 30.920 7.320 -4.927 145 HB3 LEU 18 2HB LEU 18 32.076 6.022 -5.229 146 HG LEU 18 HG LEU 18 30.208 4.395 -4.611 147 HD11 LEU 18 1HD1 LEU 18 28.731 7.012 -4.654 148 HD12 LEU 18 2HD1 LEU 18 28.584 5.674 -3.515 149 HD13 LEU 18 3HD1 LEU 18 27.904 5.533 -5.135 150 HD21 LEU 18 1HD2 LEU 18 30.816 4.621 -6.918 151 HD22 LEU 18 2HD2 LEU 18 30.038 6.199 -7.037 152 HD23 LEU 18 3HD2 LEU 18 29.058 4.743 -6.863 153 H LEU 19 H LEU 19 32.326 8.579 -2.851 154 HA LEU 19 HA LEU 19 35.106 8.177 -3.060 155 HB2 LEU 19 1HB LEU 19 33.701 10.308 -1.436 156 HB3 LEU 19 2HB LEU 19 35.367 10.353 -2.002 157 HG LEU 19 HG LEU 19 32.945 10.181 -3.819 158 HD11 LEU 19 1HD1 LEU 19 33.292 12.356 -2.502 159 HD12 LEU 19 2HD1 LEU 19 33.238 12.506 -4.258 160 HD13 LEU 19 3HD1 LEU 19 34.788 12.544 -3.415 161 HD21 LEU 19 1HD2 LEU 19 35.927 10.323 -4.244 162 HD22 LEU 19 2HD2 LEU 19 34.823 10.958 -5.465 163 HD23 LEU 19 3HD2 LEU 19 34.750 9.255 -5.011 164 H ALA 20 H ALA 20 32.946 7.909 -0.283 165 HA ALA 20 HA ALA 20 34.902 7.677 1.729 166 HB1 ALA 20 1HB ALA 20 32.414 7.913 2.073 167 HB2 ALA 20 2HB ALA 20 33.187 6.693 3.086 168 HB3 ALA 20 3HB ALA 20 32.264 6.204 1.665 169 H CYS 21 H CYS 21 33.434 5.235 -0.382 170 HA CYS 21 HA CYS 21 34.702 2.980 0.733 171 HB2 CYS 21 1HB CYS 21 33.878 3.498 -2.133 172 HB3 CYS 21 2HB CYS 21 34.322 1.921 -1.481 173 HG CYS 21 HG CYS 21 31.848 3.532 -0.432 174 H ILE 22 H ILE 22 35.780 5.268 -1.761 175 HA ILE 22 HA ILE 22 38.146 3.922 -2.487 176 HB ILE 22 HB ILE 22 37.656 6.912 -2.421 177 HG12 ILE 22 1HG1 ILE 22 37.274 4.934 -4.689 178 HG13 ILE 22 2HG1 ILE 22 35.956 5.558 -3.696 179 HG21 ILE 22 1HG2 ILE 22 39.383 7.003 -4.152 180 HG22 ILE 22 2HG2 ILE 22 39.569 5.249 -4.091 181 HG23 ILE 22 3HG2 ILE 22 40.041 6.235 -2.707 182 HD11 ILE 22 1HD1 ILE 22 36.751 7.895 -4.340 183 HD12 ILE 22 2HD1 ILE 22 36.024 6.950 -5.640 184 HD13 ILE 22 3HD1 ILE 22 37.777 7.114 -5.542 185 H PHE 23 H PHE 23 37.474 6.171 0.184 186 HA PHE 23 HA PHE 23 40.126 6.411 1.108 187 HB2 PHE 23 1HB PHE 23 37.478 6.589 2.509 188 HB3 PHE 23 2HB PHE 23 38.986 6.734 3.390 189 HD1 PHE 23 HD1 PHE 23 40.561 8.608 2.861 190 HD2 PHE 23 HD2 PHE 23 36.626 8.366 1.157 191 HE1 PHE 23 HE1 PHE 23 40.679 11.008 2.245 192 HE2 PHE 23 HE2 PHE 23 36.745 10.764 0.539 193 HZ PHE 23 HZ PHE 23 38.772 12.085 1.082 194 H LEU 24 H LEU 24 37.702 3.888 1.658 195 HA LEU 24 HA LEU 24 39.110 2.423 3.610 196 HB2 LEU 24 1HB LEU 24 36.762 1.970 2.842 197 HB3 LEU 24 2HB LEU 24 37.436 1.252 1.378 198 HG LEU 24 HG LEU 24 38.844 -0.202 3.013 199 HD11 LEU 24 1HD1 LEU 24 38.131 -0.401 5.222 200 HD12 LEU 24 2HD1 LEU 24 36.528 0.245 4.871 201 HD13 LEU 24 3HD1 LEU 24 37.917 1.327 4.950 202 HD21 LEU 24 1HD2 LEU 24 35.843 -0.555 2.736 203 HD22 LEU 24 2HD2 LEU 24 36.975 -1.834 3.178 204 HD23 LEU 24 3HD2 LEU 24 37.061 -1.092 1.580 205 H ILE 25 H ILE 25 39.373 2.422 0.072 206 HA ILE 25 HA ILE 25 41.286 0.360 -0.149 207 HB ILE 25 HB ILE 25 41.039 2.829 -1.887 208 HG12 ILE 25 1HG1 ILE 25 39.789 0.086 -2.230 209 HG13 ILE 25 2HG1 ILE 25 38.922 1.489 -1.602 210 HG21 ILE 25 1HG2 ILE 25 42.079 1.419 -3.605 211 HG22 ILE 25 2HG2 ILE 25 42.181 0.078 -2.465 212 HG23 ILE 25 3HG2 ILE 25 43.139 1.534 -2.200 213 HD11 ILE 25 1HD1 ILE 25 39.531 2.716 -3.717 214 HD12 ILE 25 2HD1 ILE 25 38.460 1.338 -3.970 215 HD13 ILE 25 3HD1 ILE 25 40.177 1.200 -4.344 216 H LYS 26 H LYS 26 41.656 3.813 0.573 217 HA LYS 26 HA LYS 26 44.467 3.918 0.483 218 HB2 LYS 26 1HB LYS 26 42.973 5.904 0.720 219 HB3 LYS 26 2HB LYS 26 42.689 5.441 2.397 220 HG2 LYS 26 1HG LYS 26 45.136 5.554 2.820 221 HG3 LYS 26 2HG LYS 26 45.374 6.111 1.163 222 HD2 LYS 26 1HD LYS 26 43.845 8.036 1.645 223 HD3 LYS 26 2HD LYS 26 43.788 7.515 3.330 224 HE2 LYS 26 1HE LYS 26 45.494 9.156 3.288 225 HE3 LYS 26 2HE LYS 26 46.364 7.623 3.259 226 HZ1 LYS 26 1HZ LYS 26 46.591 9.661 1.444 227 HZ2 LYS 26 2HZ LYS 26 45.663 8.489 0.637 228 HZ3 LYS 26 3HZ LYS 26 47.188 8.084 1.265 229 H ILE 27 H ILE 27 42.280 2.804 3.035 230 HA ILE 27 HA ILE 27 44.206 2.476 5.067 231 HB ILE 27 HB ILE 27 41.768 0.757 4.540 232 HG12 ILE 27 1HG1 ILE 27 42.078 3.208 6.301 233 HG13 ILE 27 2HG1 ILE 27 41.331 3.228 4.705 234 HG21 ILE 27 1HG2 ILE 27 43.288 1.303 7.109 235 HG22 ILE 27 2HG2 ILE 27 43.409 -0.186 6.173 236 HG23 ILE 27 3HG2 ILE 27 41.879 0.258 6.929 237 HD11 ILE 27 1HD1 ILE 27 39.457 2.942 6.046 238 HD12 ILE 27 2HD1 ILE 27 40.335 1.994 7.247 239 HD13 ILE 27 3HD1 ILE 27 39.872 1.262 5.711 240 H LEU 28 H LEU 28 43.272 0.347 2.385 241 HA LEU 28 HA LEU 28 44.933 -1.834 3.047 242 HB2 LEU 28 1HB LEU 28 44.264 -0.830 0.271 243 HB3 LEU 28 2HB LEU 28 44.838 -2.442 0.687 244 HG LEU 28 HG LEU 28 42.264 -1.218 1.723 245 HD11 LEU 28 1HD1 LEU 28 42.871 -3.110 -0.554 246 HD12 LEU 28 2HD1 LEU 28 41.912 -1.631 -0.590 247 HD13 LEU 28 3HD1 LEU 28 41.286 -3.068 0.218 248 HD21 LEU 28 1HD2 LEU 28 42.996 -2.836 3.297 249 HD22 LEU 28 2HD2 LEU 28 43.618 -3.901 2.038 250 HD23 LEU 28 3HD2 LEU 28 41.878 -3.720 2.258 251 H ALA 29 H ALA 29 45.663 1.196 1.386 252 HA ALA 29 HA ALA 29 48.343 0.633 0.712 253 HB1 ALA 29 1HB ALA 29 48.551 2.894 0.239 254 HB2 ALA 29 2HB ALA 29 47.505 3.376 1.575 255 HB3 ALA 29 3HB ALA 29 46.806 2.669 0.117 256 H ALA 30 H ALA 30 46.897 1.827 3.709 257 HA ALA 30 HA ALA 30 49.259 2.589 5.018 258 HB1 ALA 30 1HB ALA 30 46.905 3.051 5.790 259 HB2 ALA 30 2HB ALA 30 47.996 2.490 7.058 260 HB3 ALA 30 3HB ALA 30 46.828 1.379 6.344 261 H SER 31 H SER 31 47.660 -0.563 4.784 262 HA SER 31 HA SER 31 49.338 -1.987 6.539 263 HB2 SER 31 1HB SER 31 47.249 -2.885 5.496 264 HB3 SER 31 2HB SER 31 48.119 -3.029 3.973 265 HG SER 31 HG SER 31 49.274 -4.646 4.780 266 H ALA 32 H ALA 32 49.775 -1.072 3.144 267 HA ALA 32 HA ALA 32 52.082 -2.629 2.643 268 HB1 ALA 32 1HB ALA 32 51.742 0.082 1.413 269 HB2 ALA 32 2HB ALA 32 50.584 -1.193 1.031 270 HB3 ALA 32 3HB ALA 32 52.296 -1.420 0.674 271 H LEU 33 H LEU 33 51.675 0.660 3.933 272 HA LEU 33 HA LEU 33 54.401 1.331 4.098 273 HB2 LEU 33 1HB LEU 33 52.508 2.918 4.442 274 HB3 LEU 33 2HB LEU 33 52.210 2.167 6.009 275 HG LEU 33 HG LEU 33 54.630 2.682 6.594 276 HD11 LEU 33 1HD1 LEU 33 55.487 4.687 5.180 277 HD12 LEU 33 2HD1 LEU 33 54.361 4.110 3.951 278 HD13 LEU 33 3HD1 LEU 33 55.668 3.065 4.511 279 HD21 LEU 33 1HD2 LEU 33 52.995 4.080 7.590 280 HD22 LEU 33 2HD2 LEU 33 52.576 4.829 6.049 281 HD23 LEU 33 3HD2 LEU 33 54.115 5.207 6.823 282 H TRP 34 H TRP 34 52.323 -0.501 6.320 283 HA TRP 34 HA TRP 34 54.164 -0.794 8.428 284 HB2 TRP 34 1HB TRP 34 51.774 -1.494 8.484 285 HB3 TRP 34 2HB TRP 34 52.185 -2.854 7.457 286 HD1 TRP 34 HD1 TRP 34 52.969 -4.987 8.618 287 HE1 TRP 34 HE1 TRP 34 53.573 -5.630 11.038 288 HE3 TRP 34 HE3 TRP 34 52.912 -0.369 10.794 289 HZ2 TRP 34 HZ2 TRP 34 53.981 -4.352 13.569 290 HZ3 TRP 34 HZ3 TRP 34 53.411 -0.110 13.205 291 HH2 TRP 34 HH2 TRP 34 53.945 -2.090 14.595 292 H ALA 35 H ALA 35 53.867 -2.542 5.368 293 HA ALA 35 HA ALA 35 55.827 -4.507 5.855 294 HB1 ALA 35 1HB ALA 35 55.851 -4.874 3.524 295 HB2 ALA 35 2HB ALA 35 55.416 -3.202 3.171 296 HB3 ALA 35 3HB ALA 35 54.220 -4.296 3.863 297 H ALA 36 H ALA 36 56.108 -1.182 4.682 298 HA ALA 36 HA ALA 36 58.836 -1.246 3.998 299 HB1 ALA 36 1HB ALA 36 57.075 0.606 3.588 300 HB2 ALA 36 2HB ALA 36 58.738 1.096 3.910 301 HB3 ALA 36 3HB ALA 36 57.528 1.186 5.190 302 H ALA 37 H ALA 37 57.236 -0.547 7.083 303 HA ALA 37 HA ALA 37 59.565 0.031 8.569 304 HB1 ALA 37 1HB ALA 37 58.052 -0.930 10.501 305 HB2 ALA 37 2HB ALA 37 56.808 -0.904 9.251 306 HB3 ALA 37 3HB ALA 37 57.632 0.587 9.705 307 H TRP 38 H TRP 38 57.948 -3.033 7.864 308 HA TRP 38 HA TRP 38 59.419 -4.737 9.495 309 HB2 TRP 38 1HB TRP 38 57.400 -5.348 8.183 310 HB3 TRP 38 2HB TRP 38 58.383 -5.351 6.731 311 HD1 TRP 38 HD1 TRP 38 59.796 -7.457 6.232 312 HE1 TRP 38 HE1 TRP 38 60.056 -9.750 7.378 313 HE3 TRP 38 HE3 TRP 38 57.406 -6.514 10.644 314 HZ2 TRP 38 HZ2 TRP 38 59.343 -11.020 9.845 315 HZ3 TRP 38 HZ3 TRP 38 57.210 -8.277 12.369 316 HH2 TRP 38 HH2 TRP 38 58.173 -10.526 11.979 317 H HIS 39 H HIS 39 60.318 -3.389 6.343 318 HA HIS 39 HA HIS 39 62.811 -4.850 6.278 319 HB2 HIS 39 1HB HIS 39 61.855 -2.400 4.786 320 HB3 HIS 39 2HB HIS 39 63.411 -3.161 4.513 321 HD1 HIS 39 HD1 HIS 39 59.747 -3.583 3.896 322 HD2 HIS 39 HD2 HIS 39 63.280 -5.651 3.110 323 HE1 HIS 39 HE1 HIS 39 59.162 -5.386 2.218 324 H GLY 40 H GLY 40 62.221 -1.335 6.494 325 HA2 GLY 40 1HA GLY 40 63.711 -1.324 9.022 326 HA3 GLY 40 2HA GLY 40 64.215 -0.201 7.760 327 H GLN 41 H GLN 41 62.174 -0.545 10.427 328 HA GLN 41 HA GLN 41 60.252 1.372 10.031 329 HB2 GLN 41 1HB GLN 41 62.096 1.092 12.417 330 HB3 GLN 41 2HB GLN 41 60.599 2.026 12.407 331 HG2 GLN 41 1HG GLN 41 59.309 0.017 11.891 332 HG3 GLN 41 2HG GLN 41 60.787 -0.937 11.794 333 HE21 GLN 41 1HE2 GLN 41 58.705 -1.596 13.646 334 HE22 GLN 41 2HE2 GLN 41 59.287 -1.330 15.219 335 H LYS 42 H LYS 42 60.161 3.629 10.022 336 HA LYS 42 HA LYS 42 62.753 5.034 9.758 337 HB2 LYS 42 1HB LYS 42 61.678 6.423 7.958 338 HB3 LYS 42 2HB LYS 42 61.992 4.750 7.514 339 HG2 LYS 42 1HG LYS 42 59.620 4.197 8.036 340 HG3 LYS 42 2HG LYS 42 59.319 5.899 8.382 341 HD2 LYS 42 1HD LYS 42 58.661 5.740 6.146 342 HD3 LYS 42 2HD LYS 42 60.330 6.293 5.998 343 HE2 LYS 42 1HE LYS 42 61.115 4.083 5.512 344 HE3 LYS 42 2HE LYS 42 59.567 3.366 5.960 345 HZ1 LYS 42 1HZ LYS 42 59.802 3.533 3.562 346 HZ2 LYS 42 2HZ LYS 42 60.022 5.214 3.680 347 HZ3 LYS 42 3HZ LYS 42 58.533 4.517 4.109 348 HA PRO 43 HA PRO 43 59.923 7.138 12.882 349 HB2 PRO 43 1HB PRO 43 62.556 7.461 14.230 350 HB3 PRO 43 2HB PRO 43 60.983 7.007 14.913 351 HG2 PRO 43 1HG PRO 43 62.923 5.220 14.586 352 HG3 PRO 43 2HG PRO 43 61.217 4.800 14.342 353 HD2 PRO 43 1HD PRO 43 63.343 5.283 12.292 354 HD3 PRO 43 2HD PRO 43 61.981 4.139 12.261 355 H GLY 44 H GLY 44 62.937 7.887 11.258 356 HA2 GLY 44 1HA GLY 44 63.208 10.610 11.829 357 HA3 GLY 44 2HA GLY 44 63.745 9.835 10.341 358 H THR 45 H THR 45 62.436 12.481 10.865 359 HA THR 45 HA THR 45 59.783 12.543 9.985 360 HB THR 45 HB THR 45 61.929 14.595 9.393 361 HG1 THR 45 HG1 THR 45 61.938 14.869 11.456 362 HG21 THR 45 1HG2 THR 45 59.804 14.913 8.177 363 HG22 THR 45 2HG2 THR 45 60.028 16.161 9.403 364 HG23 THR 45 3HG2 THR 45 58.922 14.821 9.701 365 H HIS 46 H HIS 46 58.820 12.704 7.976 366 HA HIS 46 HA HIS 46 59.967 11.273 5.847 367 HB2 HIS 46 1HB HIS 46 57.679 13.243 5.850 368 HB3 HIS 46 2HB HIS 46 58.079 12.187 4.509 369 HD1 HIS 46 HD1 HIS 46 56.542 12.212 7.919 370 HD2 HIS 46 HD2 HIS 46 57.381 9.442 4.917 371 HE1 HIS 46 HE1 HIS 46 55.283 10.101 8.522 Start of MODEL 18 1 H ARG 1 3H ARG 1 32.998 8.831 -27.585 2 HA ARG 1 HA ARG 1 31.926 6.565 -26.004 3 HB2 ARG 1 1HB ARG 1 34.346 6.904 -27.802 4 HB3 ARG 1 2HB ARG 1 33.956 5.443 -26.893 5 HG2 ARG 1 1HG ARG 1 31.775 5.317 -28.091 6 HG3 ARG 1 2HG ARG 1 32.254 6.714 -29.056 7 HD2 ARG 1 1HD ARG 1 34.294 5.416 -29.774 8 HD3 ARG 1 2HD ARG 1 33.610 4.008 -28.966 9 HE ARG 1 HE ARG 1 31.594 4.793 -30.600 10 HH11 ARG 1 1HH1 ARG 1 34.992 4.172 -31.228 11 HH12 ARG 1 2HH1 ARG 1 34.703 3.682 -32.864 12 HH21 ARG 1 1HH2 ARG 1 31.284 4.154 -32.713 13 HH22 ARG 1 2HH2 ARG 1 32.628 3.673 -33.693 14 H SER 2 H SER 2 35.032 8.261 -26.493 15 HA SER 2 HA SER 2 36.059 7.784 -23.938 16 HB2 SER 2 1HB SER 2 36.631 10.144 -25.742 17 HB3 SER 2 2HB SER 2 37.645 9.575 -24.419 18 HG SER 2 HG SER 2 37.728 7.541 -25.575 19 H LEU 3 H LEU 3 33.739 10.187 -24.977 20 HA LEU 3 HA LEU 3 34.056 12.130 -22.997 21 HB2 LEU 3 1HB LEU 3 32.596 12.298 -25.015 22 HB3 LEU 3 2HB LEU 3 31.447 11.223 -24.224 23 HG LEU 3 HG LEU 3 31.360 12.864 -22.305 24 HD11 LEU 3 1HD1 LEU 3 32.101 15.238 -23.124 25 HD12 LEU 3 2HD1 LEU 3 33.161 14.341 -24.210 26 HD13 LEU 3 3HD1 LEU 3 33.317 14.145 -22.465 27 HD21 LEU 3 1HD2 LEU 3 30.082 14.614 -23.698 28 HD22 LEU 3 2HD2 LEU 3 29.537 12.941 -23.826 29 HD23 LEU 3 3HD2 LEU 3 30.529 13.646 -25.103 30 H LEU 4 H LEU 4 32.711 8.916 -22.718 31 HA LEU 4 HA LEU 4 30.984 9.265 -20.535 32 HB2 LEU 4 1HB LEU 4 31.160 7.205 -21.917 33 HB3 LEU 4 2HB LEU 4 32.701 6.849 -21.136 34 HG LEU 4 HG LEU 4 31.490 6.946 -18.915 35 HD11 LEU 4 1HD1 LEU 4 29.518 8.153 -19.349 36 HD12 LEU 4 2HD1 LEU 4 28.947 6.488 -19.247 37 HD13 LEU 4 3HD1 LEU 4 29.178 7.246 -20.823 38 HD21 LEU 4 1HD2 LEU 4 30.306 4.717 -19.321 39 HD22 LEU 4 2HD2 LEU 4 32.002 4.783 -19.801 40 HD23 LEU 4 3HD2 LEU 4 30.735 4.908 -21.022 41 H GLU 5 H GLU 5 34.486 9.115 -20.654 42 HA GLU 5 HA GLU 5 34.724 8.793 -17.766 43 HB2 GLU 5 1HB GLU 5 36.329 7.776 -19.397 44 HB3 GLU 5 2HB GLU 5 36.886 9.400 -19.788 45 HG2 GLU 5 1HG GLU 5 37.472 9.748 -17.398 46 HG3 GLU 5 2HG GLU 5 36.975 8.098 -17.053 47 H GLY 6 H GLY 6 34.539 11.440 -20.006 48 HA2 GLY 6 1HA GLY 6 35.656 13.340 -18.090 49 HA3 GLY 6 2HA GLY 6 35.137 13.696 -19.728 50 H GLU 7 H GLU 7 32.738 11.902 -18.078 51 HA GLU 7 HA GLU 7 31.055 14.281 -18.070 52 HB2 GLU 7 1HB GLU 7 30.315 12.100 -19.071 53 HB3 GLU 7 2HB GLU 7 30.305 11.417 -17.446 54 HG2 GLU 7 1HG GLU 7 28.692 13.174 -16.745 55 HG3 GLU 7 2HG GLU 7 28.666 13.785 -18.394 56 H ILE 8 H ILE 8 29.870 14.991 -16.279 57 HA ILE 8 HA ILE 8 31.327 14.782 -13.816 58 HB ILE 8 HB ILE 8 29.760 16.482 -12.989 59 HG12 ILE 8 1HG1 ILE 8 28.221 17.343 -15.052 60 HG13 ILE 8 2HG1 ILE 8 28.240 15.622 -15.420 61 HG21 ILE 8 1HG2 ILE 8 31.721 17.136 -14.324 62 HG22 ILE 8 2HG2 ILE 8 30.369 18.230 -14.618 63 HG23 ILE 8 3HG2 ILE 8 30.770 16.987 -15.802 64 HD11 ILE 8 1HD1 ILE 8 27.002 15.082 -13.567 65 HD12 ILE 8 2HD1 ILE 8 26.448 16.742 -13.752 66 HD13 ILE 8 3HD1 ILE 8 27.708 16.363 -12.581 67 HA PRO 9 HA PRO 9 28.766 11.567 -12.057 68 HB2 PRO 9 1HB PRO 9 28.992 12.096 -9.375 69 HB3 PRO 9 2HB PRO 9 30.260 11.298 -10.327 70 HG2 PRO 9 1HG PRO 9 30.058 14.129 -9.449 71 HG3 PRO 9 2HG PRO 9 31.477 13.071 -9.540 72 HD2 PRO 9 1HD PRO 9 30.951 14.967 -11.423 73 HD3 PRO 9 2HD PRO 9 31.795 13.449 -11.799 74 H PHE 10 H PHE 10 26.660 11.266 -11.225 75 HA PHE 10 HA PHE 10 24.845 13.302 -11.734 76 HB2 PHE 10 1HB PHE 10 24.572 10.794 -10.095 77 HB3 PHE 10 2HB PHE 10 23.222 11.866 -10.409 78 HD1 PHE 10 HD1 PHE 10 22.540 12.293 -12.827 79 HD2 PHE 10 HD2 PHE 10 25.283 9.192 -11.678 80 HE1 PHE 10 HE1 PHE 10 22.160 11.153 -14.996 81 HE2 PHE 10 HE2 PHE 10 24.902 8.053 -13.847 82 HZ PHE 10 HZ PHE 10 23.341 9.033 -15.507 83 HA PRO 11 HA PRO 11 25.084 16.051 -8.373 84 HB2 PRO 11 1HB PRO 11 22.132 16.126 -8.100 85 HB3 PRO 11 2HB PRO 11 23.287 17.435 -8.410 86 HG2 PRO 11 1HG PRO 11 21.691 16.469 -10.314 87 HG3 PRO 11 2HG PRO 11 23.330 17.050 -10.658 88 HD2 PRO 11 1HD PRO 11 22.327 14.242 -10.503 89 HD3 PRO 11 2HD PRO 11 23.598 14.946 -11.528 90 HA PRO 12 HA PRO 12 22.453 13.866 -4.836 91 HB2 PRO 12 1HB PRO 12 23.091 11.051 -5.614 92 HB3 PRO 12 2HB PRO 12 21.650 11.702 -4.805 93 HG2 PRO 12 1HG PRO 12 21.567 11.023 -7.356 94 HG3 PRO 12 2HG PRO 12 20.730 12.476 -6.773 95 HD2 PRO 12 1HD PRO 12 23.281 12.271 -8.319 96 HD3 PRO 12 2HD PRO 12 22.004 13.503 -8.412 97 H THR 13 H THR 13 23.543 13.733 -2.974 98 HA THR 13 HA THR 13 26.341 13.795 -2.866 99 HB THR 13 HB THR 13 26.062 13.692 -0.434 100 HG1 THR 13 HG1 THR 13 24.494 12.402 0.118 101 HG21 THR 13 1HG2 THR 13 25.518 15.769 -1.792 102 HG22 THR 13 2HG2 THR 13 24.751 15.686 -0.207 103 HG23 THR 13 3HG2 THR 13 23.819 15.313 -1.656 104 H SER 14 H SER 14 24.246 11.025 -2.964 105 HA SER 14 HA SER 14 25.607 9.321 -1.188 106 HB2 SER 14 1HB SER 14 24.093 8.544 -3.691 107 HB3 SER 14 2HB SER 14 24.467 7.496 -2.327 108 HG SER 14 HG SER 14 22.402 8.304 -2.052 109 H ILE 15 H ILE 15 26.195 10.063 -4.612 110 HA ILE 15 HA ILE 15 28.071 8.000 -5.088 111 HB ILE 15 HB ILE 15 27.943 10.763 -6.325 112 HG12 ILE 15 1HG1 ILE 15 26.836 8.110 -7.294 113 HG13 ILE 15 2HG1 ILE 15 25.870 9.331 -6.469 114 HG21 ILE 15 1HG2 ILE 15 29.252 8.198 -7.295 115 HG22 ILE 15 2HG2 ILE 15 30.112 9.624 -6.715 116 HG23 ILE 15 3HG2 ILE 15 29.162 9.711 -8.198 117 HD11 ILE 15 1HD1 ILE 15 26.290 10.941 -8.233 118 HD12 ILE 15 2HD1 ILE 15 25.707 9.447 -8.965 119 HD13 ILE 15 3HD1 ILE 15 27.421 9.844 -9.024 120 H LEU 16 H LEU 16 28.445 11.212 -3.619 121 HA LEU 16 HA LEU 16 31.250 11.199 -3.393 122 HB2 LEU 16 1HB LEU 16 29.829 13.164 -2.895 123 HB3 LEU 16 2HB LEU 16 29.237 12.353 -1.448 124 HG LEU 16 HG LEU 16 31.602 12.206 -0.630 125 HD11 LEU 16 1HD1 LEU 16 33.079 14.031 -1.870 126 HD12 LEU 16 2HD1 LEU 16 32.046 13.618 -3.238 127 HD13 LEU 16 3HD1 LEU 16 33.020 12.371 -2.458 128 HD21 LEU 16 1HD2 LEU 16 30.498 14.958 -1.272 129 HD22 LEU 16 2HD2 LEU 16 31.768 14.645 -0.089 130 HD23 LEU 16 3HD2 LEU 16 30.148 13.995 0.163 131 H LEU 17 H LEU 17 28.740 9.719 -1.364 132 HA LEU 17 HA LEU 17 30.450 8.810 0.688 133 HB2 LEU 17 1HB LEU 17 27.968 7.426 -0.353 134 HB3 LEU 17 2HB LEU 17 28.730 7.168 1.213 135 HG LEU 17 HG LEU 17 27.609 9.822 0.268 136 HD11 LEU 17 1HD1 LEU 17 25.797 9.392 1.866 137 HD12 LEU 17 2HD1 LEU 17 26.511 7.833 2.281 138 HD13 LEU 17 3HD1 LEU 17 25.857 8.102 0.665 139 HD21 LEU 17 1HD2 LEU 17 29.317 10.258 1.864 140 HD22 LEU 17 2HD2 LEU 17 28.882 8.850 2.833 141 HD23 LEU 17 3HD2 LEU 17 27.824 10.261 2.804 142 H LEU 18 H LEU 18 29.698 7.428 -2.485 143 HA LEU 18 HA LEU 18 31.037 4.969 -2.140 144 HB2 LEU 18 1HB LEU 18 30.806 6.602 -4.678 145 HB3 LEU 18 2HB LEU 18 31.188 4.885 -4.579 146 HG LEU 18 HG LEU 18 28.622 6.134 -3.553 147 HD11 LEU 18 1HD1 LEU 18 27.555 5.166 -5.502 148 HD12 LEU 18 2HD1 LEU 18 29.068 4.416 -6.011 149 HD13 LEU 18 3HD1 LEU 18 28.895 6.172 -6.056 150 HD21 LEU 18 1HD2 LEU 18 29.086 4.130 -2.326 151 HD22 LEU 18 2HD2 LEU 18 29.649 3.294 -3.773 152 HD23 LEU 18 3HD2 LEU 18 27.936 3.667 -3.580 153 H LEU 19 H LEU 19 32.258 8.163 -3.089 154 HA LEU 19 HA LEU 19 34.948 7.399 -3.469 155 HB2 LEU 19 1HB LEU 19 33.914 10.026 -2.373 156 HB3 LEU 19 2HB LEU 19 35.522 9.739 -3.032 157 HG LEU 19 HG LEU 19 32.953 9.329 -4.587 158 HD11 LEU 19 1HD1 LEU 19 34.044 11.399 -5.840 159 HD12 LEU 19 2HD1 LEU 19 34.780 11.687 -4.265 160 HD13 LEU 19 3HD1 LEU 19 33.025 11.645 -4.424 161 HD21 LEU 19 1HD2 LEU 19 34.642 7.957 -5.532 162 HD22 LEU 19 2HD2 LEU 19 35.897 9.164 -5.247 163 HD23 LEU 19 3HD2 LEU 19 34.686 9.429 -6.502 164 H ALA 20 H ALA 20 33.128 8.024 -0.513 165 HA ALA 20 HA ALA 20 35.274 7.960 1.307 166 HB1 ALA 20 1HB ALA 20 33.679 7.721 2.959 167 HB2 ALA 20 2HB ALA 20 32.699 6.610 2.002 168 HB3 ALA 20 3HB ALA 20 32.676 8.336 1.646 169 H CYS 21 H CYS 21 33.435 5.330 -0.209 170 HA CYS 21 HA CYS 21 34.670 3.184 1.143 171 HB2 CYS 21 1HB CYS 21 33.745 3.217 -1.740 172 HB3 CYS 21 2HB CYS 21 33.972 1.795 -0.724 173 HG CYS 21 HG CYS 21 31.653 2.144 0.051 174 H ILE 22 H ILE 22 35.653 4.996 -1.753 175 HA ILE 22 HA ILE 22 37.957 3.488 -2.357 176 HB ILE 22 HB ILE 22 37.577 6.473 -2.716 177 HG12 ILE 22 1HG1 ILE 22 37.018 4.205 -4.651 178 HG13 ILE 22 2HG1 ILE 22 35.770 5.025 -3.715 179 HG21 ILE 22 1HG2 ILE 22 39.917 5.620 -2.976 180 HG22 ILE 22 2HG2 ILE 22 39.241 6.246 -4.479 181 HG23 ILE 22 3HG2 ILE 22 39.334 4.505 -4.212 182 HD11 ILE 22 1HD1 ILE 22 37.537 6.172 -5.875 183 HD12 ILE 22 2HD1 ILE 22 36.696 7.209 -4.723 184 HD13 ILE 22 3HD1 ILE 22 35.776 6.156 -5.798 185 H PHE 23 H PHE 23 37.425 6.061 0.034 186 HA PHE 23 HA PHE 23 40.110 6.396 0.819 187 HB2 PHE 23 1HB PHE 23 38.147 7.785 1.580 188 HB3 PHE 23 2HB PHE 23 37.741 6.481 2.680 189 HD1 PHE 23 HD1 PHE 23 40.225 9.096 1.876 190 HD2 PHE 23 HD2 PHE 23 39.002 6.096 4.696 191 HE1 PHE 23 HE1 PHE 23 41.803 10.025 3.550 192 HE2 PHE 23 HE2 PHE 23 40.579 7.025 6.369 193 HZ PHE 23 HZ PHE 23 41.979 8.989 5.796 194 H LEU 24 H LEU 24 37.722 3.930 1.722 195 HA LEU 24 HA LEU 24 39.256 2.648 3.713 196 HB2 LEU 24 1HB LEU 24 37.422 1.295 1.722 197 HB3 LEU 24 2HB LEU 24 37.940 0.657 3.277 198 HG LEU 24 HG LEU 24 36.344 3.209 2.918 199 HD11 LEU 24 1HD1 LEU 24 34.862 1.443 2.366 200 HD12 LEU 24 2HD1 LEU 24 34.568 1.737 4.080 201 HD13 LEU 24 3HD1 LEU 24 35.560 0.369 3.577 202 HD21 LEU 24 1HD2 LEU 24 35.984 2.669 5.456 203 HD22 LEU 24 2HD2 LEU 24 37.494 3.432 4.955 204 HD23 LEU 24 3HD2 LEU 24 37.446 1.699 5.280 205 H ILE 25 H ILE 25 39.355 2.374 0.175 206 HA ILE 25 HA ILE 25 41.279 0.308 0.046 207 HB ILE 25 HB ILE 25 41.026 2.631 -1.881 208 HG12 ILE 25 1HG1 ILE 25 39.701 -0.097 -1.963 209 HG13 ILE 25 2HG1 ILE 25 38.880 1.378 -1.450 210 HG21 ILE 25 1HG2 ILE 25 42.080 -0.187 -2.247 211 HG22 ILE 25 2HG2 ILE 25 43.085 1.254 -2.095 212 HG23 ILE 25 3HG2 ILE 25 42.012 1.071 -3.482 213 HD11 ILE 25 1HD1 ILE 25 38.318 1.262 -3.721 214 HD12 ILE 25 2HD1 ILE 25 39.904 0.641 -4.181 215 HD13 ILE 25 3HD1 ILE 25 39.716 2.337 -3.734 216 H LYS 26 H LYS 26 41.649 3.800 0.553 217 HA LYS 26 HA LYS 26 44.462 3.894 0.413 218 HB2 LYS 26 1HB LYS 26 42.978 5.904 0.598 219 HB3 LYS 26 2HB LYS 26 42.756 5.523 2.304 220 HG2 LYS 26 1HG LYS 26 45.216 5.621 2.628 221 HG3 LYS 26 2HG LYS 26 45.396 6.105 0.941 222 HD2 LYS 26 1HD LYS 26 43.903 8.065 1.400 223 HD3 LYS 26 2HD LYS 26 43.907 7.617 3.106 224 HE2 LYS 26 1HE LYS 26 46.504 7.995 1.631 225 HE3 LYS 26 2HE LYS 26 45.637 9.386 2.282 226 HZ1 LYS 26 1HZ LYS 26 47.112 8.682 3.953 227 HZ2 LYS 26 2HZ LYS 26 46.692 7.047 3.760 228 HZ3 LYS 26 3HZ LYS 26 45.582 8.137 4.442 229 H ILE 27 H ILE 27 42.315 2.877 3.040 230 HA ILE 27 HA ILE 27 44.284 2.591 5.042 231 HB ILE 27 HB ILE 27 41.877 0.799 4.632 232 HG12 ILE 27 1HG1 ILE 27 42.128 3.340 6.272 233 HG13 ILE 27 2HG1 ILE 27 41.353 3.265 4.689 234 HG21 ILE 27 1HG2 ILE 27 42.064 0.395 7.019 235 HG22 ILE 27 2HG2 ILE 27 43.401 1.540 7.144 236 HG23 ILE 27 3HG2 ILE 27 43.615 0.026 6.265 237 HD11 ILE 27 1HD1 ILE 27 40.510 1.795 7.200 238 HD12 ILE 27 2HD1 ILE 27 39.820 1.490 5.606 239 HD13 ILE 27 3HD1 ILE 27 39.622 3.069 6.365 240 H LEU 28 H LEU 28 43.344 0.431 2.387 241 HA LEU 28 HA LEU 28 45.069 -1.711 3.017 242 HB2 LEU 28 1HB LEU 28 43.360 -1.687 1.156 243 HB3 LEU 28 2HB LEU 28 44.510 -0.739 0.212 244 HG LEU 28 HG LEU 28 46.212 -2.576 0.663 245 HD11 LEU 28 1HD1 LEU 28 45.330 -3.796 2.467 246 HD12 LEU 28 2HD1 LEU 28 44.962 -4.829 1.085 247 HD13 LEU 28 3HD1 LEU 28 43.704 -3.809 1.783 248 HD21 LEU 28 1HD2 LEU 28 45.289 -2.487 -1.522 249 HD22 LEU 28 2HD2 LEU 28 43.701 -3.012 -0.962 250 HD23 LEU 28 3HD2 LEU 28 45.043 -4.156 -1.010 251 H ALA 29 H ALA 29 45.714 1.372 1.413 252 HA ALA 29 HA ALA 29 48.446 0.969 0.841 253 HB1 ALA 29 1HB ALA 29 47.512 3.633 1.816 254 HB2 ALA 29 2HB ALA 29 46.809 2.984 0.333 255 HB3 ALA 29 3HB ALA 29 48.551 3.237 0.447 256 H ALA 30 H ALA 30 46.814 1.873 3.844 257 HA ALA 30 HA ALA 30 49.065 2.526 5.390 258 HB1 ALA 30 1HB ALA 30 46.492 2.562 5.950 259 HB2 ALA 30 2HB ALA 30 47.678 2.350 7.237 260 HB3 ALA 30 3HB ALA 30 46.819 0.953 6.592 261 H SER 31 H SER 31 47.641 -0.619 4.600 262 HA SER 31 HA SER 31 49.344 -2.250 6.139 263 HB2 SER 31 1HB SER 31 47.348 -3.044 4.843 264 HB3 SER 31 2HB SER 31 48.297 -2.872 3.370 265 HG SER 31 HG SER 31 48.266 -5.007 4.473 266 H ALA 32 H ALA 32 49.861 -0.664 3.014 267 HA ALA 32 HA ALA 32 52.301 -1.914 2.344 268 HB1 ALA 32 1HB ALA 32 51.836 0.986 1.747 269 HB2 ALA 32 2HB ALA 32 50.795 -0.228 1.004 270 HB3 ALA 32 3HB ALA 32 52.535 -0.268 0.723 271 H LEU 33 H LEU 33 51.585 0.935 4.350 272 HA LEU 33 HA LEU 33 54.252 1.697 4.845 273 HB2 LEU 33 1HB LEU 33 51.679 2.077 6.342 274 HB3 LEU 33 2HB LEU 33 53.208 2.578 7.067 275 HG LEU 33 HG LEU 33 53.681 3.851 4.919 276 HD11 LEU 33 1HD1 LEU 33 50.884 2.886 4.412 277 HD12 LEU 33 2HD1 LEU 33 52.246 2.983 3.298 278 HD13 LEU 33 3HD1 LEU 33 51.387 4.449 3.771 279 HD21 LEU 33 1HD2 LEU 33 52.437 5.761 5.639 280 HD22 LEU 33 2HD2 LEU 33 52.737 4.813 7.097 281 HD23 LEU 33 3HD2 LEU 33 51.155 4.758 6.318 282 H TRP 34 H TRP 34 52.190 -0.707 6.460 283 HA TRP 34 HA TRP 34 54.024 -1.419 8.483 284 HB2 TRP 34 1HB TRP 34 51.890 -2.989 7.073 285 HB3 TRP 34 2HB TRP 34 52.936 -3.740 8.258 286 HD1 TRP 34 HD1 TRP 34 49.884 -1.632 7.905 287 HE1 TRP 34 HE1 TRP 34 48.989 -0.986 10.233 288 HE3 TRP 34 HE3 TRP 34 53.825 -3.101 10.802 289 HZ2 TRP 34 HZ2 TRP 34 49.834 -1.081 12.970 290 HZ3 TRP 34 HZ3 TRP 34 53.754 -2.813 13.259 291 HH2 TRP 34 HH2 TRP 34 51.768 -1.806 14.348 292 H ALA 35 H ALA 35 53.886 -2.334 5.075 293 HA ALA 35 HA ALA 35 55.978 -4.218 5.079 294 HB1 ALA 35 1HB ALA 35 56.028 -3.971 2.769 295 HB2 ALA 35 2HB ALA 35 55.685 -2.242 2.843 296 HB3 ALA 35 3HB ALA 35 54.400 -3.411 3.151 297 H ALA 36 H ALA 36 56.045 -0.682 4.985 298 HA ALA 36 HA ALA 36 58.808 -0.342 4.577 299 HB1 ALA 36 1HB ALA 36 57.352 1.482 6.446 300 HB2 ALA 36 2HB ALA 36 56.827 1.400 4.763 301 HB3 ALA 36 3HB ALA 36 58.483 1.872 5.150 302 H ALA 37 H ALA 37 56.956 -0.893 7.550 303 HA ALA 37 HA ALA 37 59.113 -0.753 9.364 304 HB1 ALA 37 1HB ALA 37 56.688 -0.831 9.979 305 HB2 ALA 37 2HB ALA 37 57.695 -1.944 10.904 306 HB3 ALA 37 3HB ALA 37 56.692 -2.549 9.585 307 H TRP 38 H TRP 38 57.863 -3.444 7.437 308 HA TRP 38 HA TRP 38 59.434 -5.506 8.456 309 HB2 TRP 38 1HB TRP 38 57.580 -5.794 6.840 310 HB3 TRP 38 2HB TRP 38 58.611 -5.146 5.580 311 HD1 TRP 38 HD1 TRP 38 60.075 -6.795 4.317 312 HE1 TRP 38 HE1 TRP 38 60.683 -9.283 4.594 313 HE3 TRP 38 HE3 TRP 38 57.972 -7.713 8.880 314 HZ2 TRP 38 HZ2 TRP 38 60.325 -11.389 6.500 315 HZ3 TRP 38 HZ3 TRP 38 58.121 -9.963 9.900 316 HH2 TRP 38 HH2 TRP 38 59.292 -11.802 8.720 317 H HIS 39 H HIS 39 60.338 -2.988 6.134 318 HA HIS 39 HA HIS 39 62.985 -4.061 5.751 319 HB2 HIS 39 1HB HIS 39 61.925 -1.252 5.370 320 HB3 HIS 39 2HB HIS 39 63.500 -1.815 4.844 321 HD1 HIS 39 HD1 HIS 39 63.396 -3.850 3.014 322 HD2 HIS 39 HD2 HIS 39 59.926 -1.594 3.501 323 HE1 HIS 39 HE1 HIS 39 61.968 -4.286 0.970 324 H GLY 40 H GLY 40 61.969 -1.034 7.359 325 HA2 GLY 40 1HA GLY 40 63.290 -1.996 9.797 326 HA3 GLY 40 2HA GLY 40 63.721 -0.397 9.197 327 H GLN 41 H GLN 41 61.605 -2.049 11.226 328 HA GLN 41 HA GLN 41 59.473 -0.349 11.482 329 HB2 GLN 41 1HB GLN 41 59.498 -0.850 13.882 330 HB3 GLN 41 2HB GLN 41 59.857 -2.295 12.940 331 HG2 GLN 41 1HG GLN 41 62.275 -1.941 13.331 332 HG3 GLN 41 2HG GLN 41 61.902 -0.517 14.299 333 HE21 GLN 41 1HE2 GLN 41 61.195 -0.843 16.472 334 HE22 GLN 41 2HE2 GLN 41 61.055 -2.381 17.176 335 H LYS 42 H LYS 42 59.063 1.639 12.475 336 HA LYS 42 HA LYS 42 59.505 3.888 12.713 337 HB2 LYS 42 1HB LYS 42 61.220 2.447 14.703 338 HB3 LYS 42 2HB LYS 42 61.322 4.203 14.585 339 HG2 LYS 42 1HG LYS 42 59.648 3.806 16.220 340 HG3 LYS 42 2HG LYS 42 58.754 4.194 14.749 341 HD2 LYS 42 1HD LYS 42 58.304 1.873 14.313 342 HD3 LYS 42 2HD LYS 42 59.406 1.360 15.591 343 HE2 LYS 42 1HE LYS 42 57.968 2.342 17.292 344 HE3 LYS 42 2HE LYS 42 56.902 3.005 16.053 345 HZ1 LYS 42 1HZ LYS 42 56.186 0.850 17.117 346 HZ2 LYS 42 2HZ LYS 42 57.459 0.107 16.274 347 HZ3 LYS 42 3HZ LYS 42 56.206 0.874 15.420 348 HA PRO 43 HA PRO 43 63.374 3.379 9.992 349 HB2 PRO 43 1HB PRO 43 62.379 4.773 7.811 350 HB3 PRO 43 2HB PRO 43 62.310 3.013 8.010 351 HG2 PRO 43 1HG PRO 43 60.206 5.050 8.499 352 HG3 PRO 43 2HG PRO 43 60.069 3.419 7.814 353 HD2 PRO 43 1HD PRO 43 59.355 3.952 10.369 354 HD3 PRO 43 2HD PRO 43 60.058 2.391 9.897 355 H GLY 44 H GLY 44 61.372 6.099 10.892 356 HA2 GLY 44 1HA GLY 44 61.856 8.312 11.312 357 HA3 GLY 44 2HA GLY 44 63.513 7.775 11.586 358 H THR 45 H THR 45 65.050 8.104 10.033 359 HA THR 45 HA THR 45 64.713 10.064 8.071 360 HB THR 45 HB THR 45 66.915 9.443 8.927 361 HG1 THR 45 HG1 THR 45 67.871 9.013 6.738 362 HG21 THR 45 1HG2 THR 45 66.485 7.019 9.173 363 HG22 THR 45 2HG2 THR 45 67.964 7.324 8.263 364 HG23 THR 45 3HG2 THR 45 66.491 6.849 7.418 365 H HIS 46 H HIS 46 64.395 10.001 5.851 366 HA HIS 46 HA HIS 46 62.714 7.915 4.873 367 HB2 HIS 46 1HB HIS 46 62.814 9.129 2.745 368 HB3 HIS 46 2HB HIS 46 62.474 10.202 4.088 369 HD1 HIS 46 HD1 HIS 46 65.123 9.334 1.572 370 HD2 HIS 46 HD2 HIS 46 64.490 12.140 4.590 371 HE1 HIS 46 HE1 HIS 46 66.928 11.088 1.307 Start of MODEL 19 1 H ARG 1 3H ARG 1 19.194 38.903 3.030 2 HA ARG 1 HA ARG 1 20.718 37.210 3.526 3 HB2 ARG 1 1HB ARG 1 20.057 35.152 4.665 4 HB3 ARG 1 2HB ARG 1 19.639 36.546 5.656 5 HG2 ARG 1 1HG ARG 1 17.304 36.418 4.683 6 HG3 ARG 1 2HG ARG 1 17.770 34.884 3.947 7 HD2 ARG 1 1HD ARG 1 18.381 34.028 6.209 8 HD3 ARG 1 2HD ARG 1 17.777 35.528 6.905 9 HE ARG 1 HE ARG 1 16.207 33.311 6.009 10 HH11 ARG 1 1HH1 ARG 1 16.145 36.812 6.273 11 HH12 ARG 1 2HH1 ARG 1 14.415 36.876 6.333 12 HH21 ARG 1 1HH2 ARG 1 13.982 33.458 6.091 13 HH22 ARG 1 2HH2 ARG 1 13.207 35.000 6.231 14 H SER 2 H SER 2 21.235 36.295 1.658 15 HA SER 2 HA SER 2 19.476 36.043 -0.500 16 HB2 SER 2 1HB SER 2 22.093 34.589 -0.049 17 HB3 SER 2 2HB SER 2 21.275 34.787 -1.596 18 HG SER 2 HG SER 2 22.599 36.664 0.015 19 H LEU 3 H LEU 3 18.395 34.341 -1.426 20 HA LEU 3 HA LEU 3 17.291 32.343 0.184 21 HB2 LEU 3 1HB LEU 3 17.611 32.331 -2.824 22 HB3 LEU 3 2HB LEU 3 16.478 31.348 -1.899 23 HG LEU 3 HG LEU 3 16.511 34.382 -1.920 24 HD11 LEU 3 1HD1 LEU 3 15.775 33.654 -4.079 25 HD12 LEU 3 2HD1 LEU 3 14.312 34.014 -3.164 26 HD13 LEU 3 3HD1 LEU 3 14.824 32.342 -3.386 27 HD21 LEU 3 1HD2 LEU 3 14.131 33.846 -0.960 28 HD22 LEU 3 2HD2 LEU 3 15.525 33.757 0.118 29 HD23 LEU 3 3HD2 LEU 3 14.837 32.280 -0.560 30 H LEU 4 H LEU 4 20.372 32.373 -1.437 31 HA LEU 4 HA LEU 4 20.729 29.640 -1.956 32 HB2 LEU 4 1HB LEU 4 22.178 31.492 -2.757 33 HB3 LEU 4 2HB LEU 4 22.838 31.646 -1.134 34 HG LEU 4 HG LEU 4 22.876 28.899 -2.318 35 HD11 LEU 4 1HD1 LEU 4 24.988 30.892 -3.140 36 HD12 LEU 4 2HD1 LEU 4 23.583 30.565 -4.154 37 HD13 LEU 4 3HD1 LEU 4 24.711 29.266 -3.765 38 HD21 LEU 4 1HD2 LEU 4 23.906 29.019 -0.208 39 HD22 LEU 4 2HD2 LEU 4 24.608 30.602 -0.535 40 HD23 LEU 4 3HD2 LEU 4 25.281 29.163 -1.300 41 H GLU 5 H GLU 5 20.895 31.411 1.066 42 HA GLU 5 HA GLU 5 22.220 29.213 2.452 43 HB2 GLU 5 1HB GLU 5 22.642 31.621 2.988 44 HB3 GLU 5 2HB GLU 5 20.997 31.719 3.613 45 HG2 GLU 5 1HG GLU 5 21.526 29.893 5.217 46 HG3 GLU 5 2HG GLU 5 23.179 29.869 4.619 47 H GLY 6 H GLY 6 18.938 30.229 1.852 48 HA2 GLY 6 1HA GLY 6 17.889 28.481 3.943 49 HA3 GLY 6 2HA GLY 6 16.949 29.515 2.881 50 H GLU 7 H GLU 7 19.133 27.720 0.990 51 HA GLU 7 HA GLU 7 16.860 26.226 -0.056 52 HB2 GLU 7 1HB GLU 7 18.409 27.541 -1.528 53 HB3 GLU 7 2HB GLU 7 19.687 26.398 -1.119 54 HG2 GLU 7 1HG GLU 7 18.275 24.547 -1.993 55 HG3 GLU 7 2HG GLU 7 17.053 25.722 -2.459 56 H ILE 8 H ILE 8 16.801 24.010 -0.320 57 HA ILE 8 HA ILE 8 18.230 22.472 1.643 58 HB ILE 8 HB ILE 8 16.891 20.572 0.789 59 HG12 ILE 8 1HG1 ILE 8 15.740 22.606 -1.148 60 HG13 ILE 8 2HG1 ILE 8 16.891 21.350 -1.605 61 HG21 ILE 8 1HG2 ILE 8 15.956 22.113 2.479 62 HG22 ILE 8 2HG2 ILE 8 14.696 21.495 1.412 63 HG23 ILE 8 3HG2 ILE 8 15.313 23.132 1.192 64 HD11 ILE 8 1HD1 ILE 8 15.218 19.699 -0.529 65 HD12 ILE 8 2HD1 ILE 8 14.789 20.392 -2.093 66 HD13 ILE 8 3HD1 ILE 8 14.061 21.027 -0.617 67 HA PRO 9 HA PRO 9 21.589 21.358 -1.037 68 HB2 PRO 9 1HB PRO 9 22.329 18.907 -0.047 69 HB3 PRO 9 2HB PRO 9 22.728 20.446 0.740 70 HG2 PRO 9 1HG PRO 9 20.583 18.495 1.385 71 HG3 PRO 9 2HG PRO 9 21.604 19.456 2.469 72 HD2 PRO 9 1HD PRO 9 19.023 20.132 1.905 73 HD3 PRO 9 2HD PRO 9 20.272 21.334 2.295 74 H PHE 10 H PHE 10 22.053 20.103 -2.880 75 HA PHE 10 HA PHE 10 19.842 19.238 -4.313 76 HB2 PHE 10 1HB PHE 10 22.684 18.359 -4.810 77 HB3 PHE 10 2HB PHE 10 21.384 18.446 -5.984 78 HD1 PHE 10 HD1 PHE 10 20.196 21.089 -5.385 79 HD2 PHE 10 HD2 PHE 10 24.310 19.863 -5.544 80 HE1 PHE 10 HE1 PHE 10 20.868 23.414 -5.926 81 HE2 PHE 10 HE2 PHE 10 24.982 22.188 -6.085 82 HZ PHE 10 HZ PHE 10 23.261 23.964 -6.275 83 HA PRO 11 HA PRO 11 18.935 15.214 -2.762 84 HB2 PRO 11 1HB PRO 11 18.586 14.208 -5.533 85 HB3 PRO 11 2HB PRO 11 17.450 14.218 -4.172 86 HG2 PRO 11 1HG PRO 11 17.196 15.886 -6.231 87 HG3 PRO 11 2HG PRO 11 16.767 16.360 -4.577 88 HD2 PRO 11 1HD PRO 11 19.166 17.125 -6.187 89 HD3 PRO 11 2HD PRO 11 18.258 18.064 -4.981 90 HA PRO 12 HA PRO 12 22.362 12.511 -5.042 91 HB2 PRO 12 1HB PRO 12 24.232 14.775 -5.583 92 HB3 PRO 12 2HB PRO 12 23.991 13.270 -6.490 93 HG2 PRO 12 1HG PRO 12 23.043 15.583 -7.380 94 HG3 PRO 12 2HG PRO 12 22.149 14.067 -7.598 95 HD2 PRO 12 1HD PRO 12 21.602 16.313 -5.714 96 HD3 PRO 12 2HD PRO 12 20.467 15.198 -6.505 97 H THR 13 H THR 13 23.792 11.625 -3.592 98 HA THR 13 HA THR 13 25.389 13.190 -1.795 99 HB THR 13 HB THR 13 23.280 11.541 -0.423 100 HG1 THR 13 HG1 THR 13 21.911 13.003 -1.027 101 HG21 THR 13 1HG2 THR 13 25.394 12.251 0.737 102 HG22 THR 13 2HG2 THR 13 23.922 12.859 1.495 103 HG23 THR 13 3HG2 THR 13 24.902 13.927 0.492 104 H SER 14 H SER 14 23.777 10.021 -2.171 105 HA SER 14 HA SER 14 25.641 8.557 -0.659 106 HB2 SER 14 1HB SER 14 24.676 6.584 -1.684 107 HB3 SER 14 2HB SER 14 23.391 7.738 -1.346 108 HG SER 14 HG SER 14 23.365 8.301 -3.495 109 H ILE 15 H ILE 15 25.694 9.560 -4.057 110 HA ILE 15 HA ILE 15 27.758 7.839 -4.935 111 HB ILE 15 HB ILE 15 27.187 10.682 -5.824 112 HG12 ILE 15 1HG1 ILE 15 26.199 8.053 -6.974 113 HG13 ILE 15 2HG1 ILE 15 25.233 9.095 -5.929 114 HG21 ILE 15 1HG2 ILE 15 28.312 10.054 -7.881 115 HG22 ILE 15 2HG2 ILE 15 28.519 8.398 -7.312 116 HG23 ILE 15 3HG2 ILE 15 29.399 9.713 -6.535 117 HD11 ILE 15 1HD1 ILE 15 24.699 9.574 -8.264 118 HD12 ILE 15 2HD1 ILE 15 26.404 9.848 -8.623 119 HD13 ILE 15 3HD1 ILE 15 25.538 10.956 -7.559 120 H LEU 16 H LEU 16 27.867 10.976 -3.245 121 HA LEU 16 HA LEU 16 30.670 11.262 -3.166 122 HB2 LEU 16 1HB LEU 16 28.999 12.976 -2.422 123 HB3 LEU 16 2HB LEU 16 28.719 12.006 -0.976 124 HG LEU 16 HG LEU 16 31.301 12.128 -0.671 125 HD11 LEU 16 1HD1 LEU 16 31.016 14.707 -2.183 126 HD12 LEU 16 2HD1 LEU 16 31.396 13.228 -3.063 127 HD13 LEU 16 3HD1 LEU 16 32.477 13.801 -1.792 128 HD21 LEU 16 1HD2 LEU 16 29.903 13.225 0.912 129 HD22 LEU 16 2HD2 LEU 16 29.374 14.422 -0.271 130 HD23 LEU 16 3HD2 LEU 16 31.022 14.469 0.355 131 H LEU 17 H LEU 17 28.454 9.346 -1.171 132 HA LEU 17 HA LEU 17 30.302 8.468 0.759 133 HB2 LEU 17 1HB LEU 17 27.686 8.068 0.411 134 HB3 LEU 17 2HB LEU 17 28.253 6.562 -0.295 135 HG LEU 17 HG LEU 17 27.770 6.198 2.048 136 HD11 LEU 17 1HD1 LEU 17 29.977 5.307 0.931 137 HD12 LEU 17 2HD1 LEU 17 29.714 5.096 2.662 138 HD13 LEU 17 3HD1 LEU 17 30.760 6.393 2.081 139 HD21 LEU 17 1HD2 LEU 17 28.171 8.705 2.578 140 HD22 LEU 17 2HD2 LEU 17 29.852 8.231 2.824 141 HD23 LEU 17 3HD2 LEU 17 28.581 7.517 3.816 142 H LEU 18 H LEU 18 29.667 7.308 -2.528 143 HA LEU 18 HA LEU 18 31.270 4.989 -2.434 144 HB2 LEU 18 1HB LEU 18 30.821 6.827 -4.799 145 HB3 LEU 18 2HB LEU 18 31.386 5.159 -4.871 146 HG LEU 18 HG LEU 18 28.721 6.017 -3.706 147 HD11 LEU 18 1HD1 LEU 18 29.277 4.590 -6.321 148 HD12 LEU 18 2HD1 LEU 18 28.976 6.323 -6.206 149 HD13 LEU 18 3HD1 LEU 18 27.721 5.178 -5.735 150 HD21 LEU 18 1HD2 LEU 18 30.132 3.384 -4.103 151 HD22 LEU 18 2HD2 LEU 18 28.369 3.451 -4.107 152 HD23 LEU 18 3HD2 LEU 18 29.268 3.973 -2.683 153 H LEU 19 H LEU 19 32.118 8.378 -3.084 154 HA LEU 19 HA LEU 19 34.864 7.974 -3.591 155 HB2 LEU 19 1HB LEU 19 33.610 10.312 -2.133 156 HB3 LEU 19 2HB LEU 19 35.192 10.289 -2.906 157 HG LEU 19 HG LEU 19 32.560 9.841 -4.345 158 HD11 LEU 19 1HD1 LEU 19 34.370 12.215 -4.710 159 HD12 LEU 19 2HD1 LEU 19 33.200 12.201 -3.391 160 HD13 LEU 19 3HD1 LEU 19 32.648 12.066 -5.060 161 HD21 LEU 19 1HD2 LEU 19 34.151 10.311 -6.342 162 HD22 LEU 19 2HD2 LEU 19 34.234 8.718 -5.588 163 HD23 LEU 19 3HD2 LEU 19 35.452 9.936 -5.211 164 H ALA 20 H ALA 20 33.080 8.135 -0.548 165 HA ALA 20 HA ALA 20 35.277 8.129 1.212 166 HB1 ALA 20 1HB ALA 20 32.850 6.530 1.896 167 HB2 ALA 20 2HB ALA 20 32.659 8.262 1.623 168 HB3 ALA 20 3HB ALA 20 33.753 7.683 2.879 169 H CYS 21 H CYS 21 33.625 5.469 -0.447 170 HA CYS 21 HA CYS 21 34.985 3.339 0.796 171 HB2 CYS 21 1HB CYS 21 33.968 3.534 -2.050 172 HB3 CYS 21 2HB CYS 21 34.425 2.041 -1.231 173 HG CYS 21 HG CYS 21 32.095 2.019 -0.394 174 H ILE 22 H ILE 22 35.857 5.346 -2.004 175 HA ILE 22 HA ILE 22 38.212 3.975 -2.723 176 HB ILE 22 HB ILE 22 37.667 6.952 -2.903 177 HG12 ILE 22 1HG1 ILE 22 37.215 4.769 -4.960 178 HG13 ILE 22 2HG1 ILE 22 35.935 5.462 -3.963 179 HG21 ILE 22 1HG2 ILE 22 40.045 6.326 -3.252 180 HG22 ILE 22 2HG2 ILE 22 39.296 6.887 -4.748 181 HG23 ILE 22 3HG2 ILE 22 39.547 5.162 -4.480 182 HD11 ILE 22 1HD1 ILE 22 35.922 6.633 -6.072 183 HD12 ILE 22 2HD1 ILE 22 37.660 6.912 -5.986 184 HD13 ILE 22 3HD1 ILE 22 36.579 7.732 -4.859 185 H PHE 23 H PHE 23 37.629 6.459 -0.245 186 HA PHE 23 HA PHE 23 40.306 6.810 0.562 187 HB2 PHE 23 1HB PHE 23 38.347 8.165 1.343 188 HB3 PHE 23 2HB PHE 23 37.896 6.821 2.376 189 HD1 PHE 23 HD1 PHE 23 39.204 6.258 4.361 190 HD2 PHE 23 HD2 PHE 23 40.302 9.540 1.816 191 HE1 PHE 23 HE1 PHE 23 40.731 7.111 6.120 192 HE2 PHE 23 HE2 PHE 23 41.829 10.393 3.575 193 HZ PHE 23 HZ PHE 23 42.042 9.178 5.727 194 H LEU 24 H LEU 24 37.950 4.297 1.385 195 HA LEU 24 HA LEU 24 39.437 3.003 3.395 196 HB2 LEU 24 1HB LEU 24 37.050 2.530 2.673 197 HB3 LEU 24 2HB LEU 24 37.726 1.595 1.342 198 HG LEU 24 HG LEU 24 38.725 1.026 4.112 199 HD11 LEU 24 1HD1 LEU 24 36.169 1.156 4.157 200 HD12 LEU 24 2HD1 LEU 24 36.878 -0.377 4.664 201 HD13 LEU 24 3HD1 LEU 24 36.181 -0.219 3.051 202 HD21 LEU 24 1HD2 LEU 24 38.461 -1.359 2.975 203 HD22 LEU 24 2HD2 LEU 24 39.811 -0.314 2.548 204 HD23 LEU 24 3HD2 LEU 24 38.402 -0.404 1.493 205 H ILE 25 H ILE 25 39.609 2.754 -0.142 206 HA ILE 25 HA ILE 25 41.527 0.686 -0.268 207 HB ILE 25 HB ILE 25 41.276 3.055 -2.141 208 HG12 ILE 25 1HG1 ILE 25 40.002 0.307 -2.312 209 HG13 ILE 25 2HG1 ILE 25 39.151 1.755 -1.770 210 HG21 ILE 25 1HG2 ILE 25 42.363 0.263 -2.610 211 HG22 ILE 25 2HG2 ILE 25 43.366 1.691 -2.352 212 HG23 ILE 25 3HG2 ILE 25 42.328 1.588 -3.774 213 HD11 ILE 25 1HD1 ILE 25 40.360 1.247 -4.498 214 HD12 ILE 25 2HD1 ILE 25 39.802 2.834 -3.971 215 HD13 ILE 25 3HD1 ILE 25 38.659 1.498 -4.108 216 H LYS 26 H LYS 26 41.897 4.175 0.269 217 HA LYS 26 HA LYS 26 44.710 4.279 0.203 218 HB2 LYS 26 1HB LYS 26 43.093 6.235 0.402 219 HB3 LYS 26 2HB LYS 26 43.010 5.867 2.124 220 HG2 LYS 26 1HG LYS 26 45.589 5.945 2.075 221 HG3 LYS 26 2HG LYS 26 45.403 6.750 0.515 222 HD2 LYS 26 1HD LYS 26 44.010 7.689 3.034 223 HD3 LYS 26 2HD LYS 26 45.575 8.312 2.508 224 HE2 LYS 26 1HE LYS 26 44.358 8.711 0.224 225 HE3 LYS 26 2HE LYS 26 42.888 8.609 1.192 226 HZ1 LYS 26 1HZ LYS 26 43.594 10.877 1.073 227 HZ2 LYS 26 2HZ LYS 26 45.158 10.476 1.603 228 HZ3 LYS 26 3HZ LYS 26 43.836 10.326 2.659 229 H ILE 27 H ILE 27 42.497 3.276 2.782 230 HA ILE 27 HA ILE 27 44.417 2.975 4.827 231 HB ILE 27 HB ILE 27 42.009 1.200 4.385 232 HG12 ILE 27 1HG1 ILE 27 41.304 3.544 4.346 233 HG13 ILE 27 2HG1 ILE 27 40.819 2.799 5.863 234 HG21 ILE 27 1HG2 ILE 27 43.567 0.376 6.077 235 HG22 ILE 27 2HG2 ILE 27 42.103 0.984 6.849 236 HG23 ILE 27 3HG2 ILE 27 43.576 1.954 6.863 237 HD11 ILE 27 1HD1 ILE 27 43.360 3.843 6.419 238 HD12 ILE 27 2HD1 ILE 27 41.815 4.548 6.885 239 HD13 ILE 27 3HD1 ILE 27 42.601 5.061 5.395 240 H LEU 28 H LEU 28 43.500 0.813 2.174 241 HA LEU 28 HA LEU 28 45.094 -1.392 2.901 242 HB2 LEU 28 1HB LEU 28 43.443 -1.349 1.010 243 HB3 LEU 28 2HB LEU 28 44.625 -0.434 0.073 244 HG LEU 28 HG LEU 28 46.278 -2.305 0.539 245 HD11 LEU 28 1HD1 LEU 28 45.017 -4.525 1.008 246 HD12 LEU 28 2HD1 LEU 28 43.739 -3.494 1.650 247 HD13 LEU 28 3HD1 LEU 28 45.347 -3.460 2.374 248 HD21 LEU 28 1HD2 LEU 28 45.215 -2.122 -1.638 249 HD22 LEU 28 2HD2 LEU 28 43.741 -2.875 -1.025 250 HD23 LEU 28 3HD2 LEU 28 45.221 -3.822 -1.169 251 H ALA 29 H ALA 29 45.942 1.617 1.255 252 HA ALA 29 HA ALA 29 48.643 1.025 0.702 253 HB1 ALA 29 1HB ALA 29 47.716 3.750 1.578 254 HB2 ALA 29 2HB ALA 29 47.241 3.082 0.016 255 HB3 ALA 29 3HB ALA 29 48.947 3.332 0.386 256 H ALA 30 H ALA 30 47.077 2.195 3.651 257 HA ALA 30 HA ALA 30 49.382 2.738 5.161 258 HB1 ALA 30 1HB ALA 30 46.802 3.027 5.687 259 HB2 ALA 30 2HB ALA 30 47.981 2.868 6.990 260 HB3 ALA 30 3HB ALA 30 47.025 1.472 6.490 261 H SER 31 H SER 31 47.681 -0.308 4.563 262 HA SER 31 HA SER 31 49.188 -1.970 6.261 263 HB2 SER 31 1HB SER 31 48.088 -2.664 3.527 264 HB3 SER 31 2HB SER 31 48.531 -3.802 4.795 265 HG SER 31 HG SER 31 46.247 -3.213 4.664 266 H ALA 32 H ALA 32 49.907 -0.696 3.032 267 HA ALA 32 HA ALA 32 52.229 -2.229 2.534 268 HB1 ALA 32 1HB ALA 32 52.019 0.634 1.661 269 HB2 ALA 32 2HB ALA 32 50.915 -0.569 0.993 270 HB3 ALA 32 3HB ALA 32 52.656 -0.757 0.783 271 H LEU 33 H LEU 33 51.741 0.834 4.271 272 HA LEU 33 HA LEU 33 54.449 1.444 4.724 273 HB2 LEU 33 1HB LEU 33 52.474 2.934 5.167 274 HB3 LEU 33 2HB LEU 33 52.160 1.993 6.623 275 HG LEU 33 HG LEU 33 54.931 3.064 6.217 276 HD11 LEU 33 1HD1 LEU 33 52.797 4.786 7.471 277 HD12 LEU 33 2HD1 LEU 33 53.157 4.900 5.748 278 HD13 LEU 33 3HD1 LEU 33 54.414 5.247 6.936 279 HD21 LEU 33 1HD2 LEU 33 54.421 3.450 8.792 280 HD22 LEU 33 2HD2 LEU 33 54.786 1.835 8.193 281 HD23 LEU 33 3HD2 LEU 33 53.114 2.308 8.484 282 H TRP 34 H TRP 34 52.212 -0.656 6.522 283 HA TRP 34 HA TRP 34 53.974 -1.330 8.621 284 HB2 TRP 34 1HB TRP 34 51.772 -2.907 7.311 285 HB3 TRP 34 2HB TRP 34 52.698 -3.524 8.663 286 HD1 TRP 34 HD1 TRP 34 49.511 -2.190 8.165 287 HE1 TRP 34 HE1 TRP 34 48.646 -0.811 10.162 288 HE3 TRP 34 HE3 TRP 34 53.907 -1.351 10.624 289 HZ2 TRP 34 HZ2 TRP 34 49.684 0.481 12.500 290 HZ3 TRP 34 HZ3 TRP 34 53.941 -0.046 12.726 291 HH2 TRP 34 HH2 TRP 34 51.840 0.870 13.668 292 H ALA 35 H ALA 35 53.764 -2.546 5.311 293 HA ALA 35 HA ALA 35 55.683 -4.596 5.513 294 HB1 ALA 35 1HB ALA 35 54.185 -3.856 3.503 295 HB2 ALA 35 2HB ALA 35 55.767 -4.567 3.185 296 HB3 ALA 35 3HB ALA 35 55.553 -2.819 3.098 297 H ALA 36 H ALA 36 56.056 -1.106 5.073 298 HA ALA 36 HA ALA 36 58.834 -1.041 4.641 299 HB1 ALA 36 1HB ALA 36 58.716 1.248 5.059 300 HB2 ALA 36 2HB ALA 36 57.466 1.060 6.291 301 HB3 ALA 36 3HB ALA 36 57.059 0.874 4.584 302 H ALA 37 H ALA 37 56.961 -1.151 7.649 303 HA ALA 37 HA ALA 37 59.127 -0.984 9.449 304 HB1 ALA 37 1HB ALA 37 56.536 -1.006 9.857 305 HB2 ALA 37 2HB ALA 37 57.629 -1.621 11.095 306 HB3 ALA 37 3HB ALA 37 56.779 -2.743 10.034 307 H TRP 38 H TRP 38 57.691 -3.758 7.789 308 HA TRP 38 HA TRP 38 59.152 -5.814 8.971 309 HB2 TRP 38 1HB TRP 38 57.253 -6.036 7.331 310 HB3 TRP 38 2HB TRP 38 58.408 -5.700 6.056 311 HD1 TRP 38 HD1 TRP 38 57.260 -8.389 8.445 312 HE1 TRP 38 HE1 TRP 38 58.428 -10.608 7.854 313 HE3 TRP 38 HE3 TRP 38 60.667 -6.708 5.034 314 HZ2 TRP 38 HZ2 TRP 38 60.537 -11.548 6.157 315 HZ3 TRP 38 HZ3 TRP 38 62.240 -8.280 3.949 316 HH2 TRP 38 HH2 TRP 38 62.182 -10.695 4.504 317 H HIS 39 H HIS 39 60.168 -3.562 6.434 318 HA HIS 39 HA HIS 39 62.735 -4.819 6.089 319 HB2 HIS 39 1HB HIS 39 61.812 -3.331 4.374 320 HB3 HIS 39 2HB HIS 39 61.812 -1.996 5.511 321 HD1 HIS 39 HD1 HIS 39 64.376 -1.460 6.490 322 HD2 HIS 39 HD2 HIS 39 64.066 -3.400 2.813 323 HE1 HIS 39 HE1 HIS 39 66.604 -1.151 5.329 324 H GLY 40 H GLY 40 61.938 -1.630 7.496 325 HA2 GLY 40 1HA GLY 40 63.259 -2.503 9.968 326 HA3 GLY 40 2HA GLY 40 63.759 -0.970 9.255 327 H GLN 41 H GLN 41 61.634 -2.367 11.434 328 HA GLN 41 HA GLN 41 59.519 -0.640 11.576 329 HB2 GLN 41 1HB GLN 41 61.257 -1.598 13.862 330 HB3 GLN 41 2HB GLN 41 59.657 -0.878 14.050 331 HG2 GLN 41 1HG GLN 41 58.658 -2.667 12.719 332 HG3 GLN 41 2HG GLN 41 60.248 -3.367 12.424 333 HE21 GLN 41 1HE2 GLN 41 58.169 -4.865 13.703 334 HE22 GLN 41 2HE2 GLN 41 58.630 -5.149 15.310 335 H LYS 42 H LYS 42 59.123 1.414 12.389 336 HA LYS 42 HA LYS 42 60.998 3.379 11.816 337 HB2 LYS 42 1HB LYS 42 59.478 4.936 12.992 338 HB3 LYS 42 2HB LYS 42 58.606 3.846 11.915 339 HG2 LYS 42 1HG LYS 42 58.297 2.337 13.986 340 HG3 LYS 42 2HG LYS 42 58.791 3.745 14.927 341 HD2 LYS 42 1HD LYS 42 56.565 3.852 12.882 342 HD3 LYS 42 2HD LYS 42 56.279 3.480 14.584 343 HE2 LYS 42 1HE LYS 42 57.411 5.626 15.194 344 HE3 LYS 42 2HE LYS 42 57.532 6.009 13.477 345 HZ1 LYS 42 1HZ LYS 42 54.921 5.312 13.823 346 HZ2 LYS 42 2HZ LYS 42 55.523 6.896 13.698 347 HZ3 LYS 42 3HZ LYS 42 55.277 6.195 15.226 348 HA PRO 43 HA PRO 43 63.760 3.370 15.294 349 HB2 PRO 43 1HB PRO 43 63.672 6.340 15.327 350 HB3 PRO 43 2HB PRO 43 65.059 5.249 15.157 351 HG2 PRO 43 1HG PRO 43 64.103 6.637 13.096 352 HG3 PRO 43 2HG PRO 43 64.766 5.004 12.903 353 HD2 PRO 43 1HD PRO 43 61.907 5.882 12.897 354 HD3 PRO 43 2HD PRO 43 62.699 4.586 11.972 355 H GLY 44 H GLY 44 60.794 5.218 15.430 356 HA2 GLY 44 1HA GLY 44 60.809 6.123 18.068 357 HA3 GLY 44 2HA GLY 44 59.359 5.701 17.164 358 H THR 45 H THR 45 60.163 5.254 20.020 359 HA THR 45 HA THR 45 60.751 2.572 20.543 360 HB THR 45 HB THR 45 59.775 2.964 22.756 361 HG1 THR 45 HG1 THR 45 58.789 5.043 23.077 362 HG21 THR 45 1HG2 THR 45 61.115 5.521 21.878 363 HG22 THR 45 2HG2 THR 45 62.001 4.000 21.974 364 HG23 THR 45 3HG2 THR 45 61.262 4.682 23.423 365 H HIS 46 H HIS 46 57.746 3.998 19.461 366 HA HIS 46 HA HIS 46 56.291 1.511 20.066 367 HB2 HIS 46 1HB HIS 46 55.269 3.679 20.709 368 HB3 HIS 46 2HB HIS 46 55.263 4.152 19.020 369 HD1 HIS 46 HD1 HIS 46 53.933 1.239 21.109 370 HD2 HIS 46 HD2 HIS 46 52.849 3.579 17.833 371 HE1 HIS 46 HE1 HIS 46 51.627 0.465 20.409 Start of MODEL 20 1 H ARG 1 3H ARG 1 25.310 -8.742 13.687 2 HA ARG 1 HA ARG 1 26.297 -7.344 15.727 3 HB2 ARG 1 1HB ARG 1 27.072 -5.918 13.165 4 HB3 ARG 1 2HB ARG 1 27.066 -5.178 14.766 5 HG2 ARG 1 1HG ARG 1 28.676 -6.915 15.540 6 HG3 ARG 1 2HG ARG 1 28.738 -7.554 13.896 7 HD2 ARG 1 1HD ARG 1 29.461 -5.274 13.117 8 HD3 ARG 1 2HD ARG 1 29.574 -4.788 14.806 9 HE ARG 1 HE ARG 1 31.363 -6.598 13.380 10 HH11 ARG 1 1HH1 ARG 1 30.378 -5.321 16.498 11 HH12 ARG 1 2HH1 ARG 1 31.862 -5.779 17.266 12 HH21 ARG 1 1HH2 ARG 1 33.252 -7.163 14.424 13 HH22 ARG 1 2HH2 ARG 1 33.467 -6.808 16.105 14 H SER 2 H SER 2 25.234 -4.927 15.605 15 HA SER 2 HA SER 2 22.474 -5.359 15.523 16 HB2 SER 2 1HB SER 2 22.235 -3.030 15.948 17 HB3 SER 2 2HB SER 2 23.741 -3.507 16.725 18 HG SER 2 HG SER 2 23.623 -1.555 15.220 19 H LEU 3 H LEU 3 20.864 -4.810 14.076 20 HA LEU 3 HA LEU 3 21.339 -5.114 11.341 21 HB2 LEU 3 1HB LEU 3 19.155 -5.445 12.505 22 HB3 LEU 3 2HB LEU 3 18.992 -3.693 12.611 23 HG LEU 3 HG LEU 3 19.235 -3.602 10.098 24 HD11 LEU 3 1HD1 LEU 3 19.189 -6.586 10.532 25 HD12 LEU 3 2HD1 LEU 3 20.281 -5.637 9.523 26 HD13 LEU 3 3HD1 LEU 3 18.608 -5.884 9.023 27 HD21 LEU 3 1HD2 LEU 3 16.966 -5.020 11.481 28 HD22 LEU 3 2HD2 LEU 3 16.908 -4.729 9.743 29 HD23 LEU 3 3HD2 LEU 3 17.022 -3.370 10.861 30 H LEU 4 H LEU 4 21.547 -2.229 13.301 31 HA LEU 4 HA LEU 4 21.048 -0.251 11.374 32 HB2 LEU 4 1HB LEU 4 22.992 -0.156 13.691 33 HB3 LEU 4 2HB LEU 4 22.340 1.236 12.827 34 HG LEU 4 HG LEU 4 20.664 -0.797 14.329 35 HD11 LEU 4 1HD1 LEU 4 21.684 1.957 15.058 36 HD12 LEU 4 2HD1 LEU 4 21.884 0.455 15.960 37 HD13 LEU 4 3HD1 LEU 4 20.298 1.219 15.861 38 HD21 LEU 4 1HD2 LEU 4 19.289 0.149 12.655 39 HD22 LEU 4 2HD2 LEU 4 20.064 1.728 12.787 40 HD23 LEU 4 3HD2 LEU 4 18.981 1.166 14.062 41 H GLU 5 H GLU 5 23.823 -2.324 11.794 42 HA GLU 5 HA GLU 5 25.544 -0.642 10.153 43 HB2 GLU 5 1HB GLU 5 25.974 -3.381 11.354 44 HB3 GLU 5 2HB GLU 5 27.199 -2.461 10.479 45 HG2 GLU 5 1HG GLU 5 26.929 -0.602 12.110 46 HG3 GLU 5 2HG GLU 5 25.779 -1.583 13.008 47 H GLY 6 H GLY 6 23.371 -3.312 9.619 48 HA2 GLY 6 1HA GLY 6 24.519 -3.873 6.994 49 HA3 GLY 6 2HA GLY 6 23.170 -4.710 7.741 50 H GLU 7 H GLU 7 22.619 -1.370 7.973 51 HA GLU 7 HA GLU 7 20.574 -1.568 5.904 52 HB2 GLU 7 1HB GLU 7 20.105 -0.643 8.195 53 HB3 GLU 7 2HB GLU 7 21.156 0.717 7.801 54 HG2 GLU 7 1HG GLU 7 19.716 1.230 5.842 55 HG3 GLU 7 2HG GLU 7 18.647 -0.089 6.301 56 H ILE 8 H ILE 8 20.381 -0.076 4.186 57 HA ILE 8 HA ILE 8 22.913 0.708 3.079 58 HB ILE 8 HB ILE 8 20.115 1.165 2.015 59 HG12 ILE 8 1HG1 ILE 8 22.123 -0.997 1.313 60 HG13 ILE 8 2HG1 ILE 8 20.755 -1.241 2.400 61 HG21 ILE 8 1HG2 ILE 8 21.257 1.429 -0.153 62 HG22 ILE 8 2HG2 ILE 8 22.819 1.230 0.640 63 HG23 ILE 8 3HG2 ILE 8 21.822 2.638 1.001 64 HD11 ILE 8 1HD1 ILE 8 20.576 -0.371 -0.499 65 HD12 ILE 8 2HD1 ILE 8 19.205 -0.581 0.589 66 HD13 ILE 8 3HD1 ILE 8 20.182 -1.973 0.122 67 HA PRO 9 HA PRO 9 22.700 4.904 4.649 68 HB2 PRO 9 1HB PRO 9 24.185 5.938 2.335 69 HB3 PRO 9 2HB PRO 9 24.679 5.829 4.031 70 HG2 PRO 9 1HG PRO 9 25.712 4.303 2.045 71 HG3 PRO 9 2HG PRO 9 25.668 3.825 3.750 72 HD2 PRO 9 1HD PRO 9 23.957 2.894 1.491 73 HD3 PRO 9 2HD PRO 9 24.504 2.027 2.943 74 H PHE 10 H PHE 10 21.532 6.819 4.318 75 HA PHE 10 HA PHE 10 19.256 6.638 2.735 76 HB2 PHE 10 1HB PHE 10 20.544 9.174 3.746 77 HB3 PHE 10 2HB PHE 10 18.866 8.977 3.280 78 HD1 PHE 10 HD1 PHE 10 17.639 6.949 4.571 79 HD2 PHE 10 HD2 PHE 10 21.059 9.122 5.997 80 HE1 PHE 10 HE1 PHE 10 17.087 6.291 6.899 81 HE2 PHE 10 HE2 PHE 10 20.507 8.464 8.323 82 HZ PHE 10 HZ PHE 10 18.522 7.049 8.774 83 HA PRO 11 HA PRO 11 20.609 7.509 -1.320 84 HB2 PRO 11 1HB PRO 11 18.544 9.101 -2.327 85 HB3 PRO 11 2HB PRO 11 18.602 7.333 -2.294 86 HG2 PRO 11 1HG PRO 11 17.178 9.204 -0.514 87 HG3 PRO 11 2HG PRO 11 16.752 7.564 -1.020 88 HD2 PRO 11 1HD PRO 11 17.740 8.142 1.463 89 HD3 PRO 11 2HD PRO 11 17.961 6.572 0.665 90 HA PRO 12 HA PRO 12 20.889 12.422 -1.370 91 HB2 PRO 12 1HB PRO 12 21.479 12.737 1.540 92 HB3 PRO 12 2HB PRO 12 20.655 13.847 0.426 93 HG2 PRO 12 1HG PRO 12 19.289 12.439 2.204 94 HG3 PRO 12 2HG PRO 12 18.652 12.731 0.575 95 HD2 PRO 12 1HD PRO 12 19.827 10.231 1.710 96 HD3 PRO 12 2HD PRO 12 18.524 10.427 0.520 97 H THR 13 H THR 13 22.863 13.148 -1.880 98 HA THR 13 HA THR 13 25.068 12.885 -2.471 99 HB THR 13 HB THR 13 25.118 14.479 -0.656 100 HG1 THR 13 HG1 THR 13 27.220 12.717 -0.075 101 HG21 THR 13 1HG2 THR 13 24.057 13.337 1.140 102 HG22 THR 13 2HG2 THR 13 25.723 13.589 1.661 103 HG23 THR 13 3HG2 THR 13 25.213 12.006 1.075 104 H SER 14 H SER 14 23.780 10.210 -1.946 105 HA SER 14 HA SER 14 25.507 8.573 -0.441 106 HB2 SER 14 1HB SER 14 24.460 6.709 -1.575 107 HB3 SER 14 2HB SER 14 23.234 7.924 -1.235 108 HG SER 14 HG SER 14 23.086 8.366 -3.322 109 H ILE 15 H ILE 15 25.673 9.671 -3.811 110 HA ILE 15 HA ILE 15 27.628 7.831 -4.690 111 HB ILE 15 HB ILE 15 27.206 10.689 -5.608 112 HG12 ILE 15 1HG1 ILE 15 26.052 8.105 -6.703 113 HG13 ILE 15 2HG1 ILE 15 25.161 9.223 -5.671 114 HG21 ILE 15 1HG2 ILE 15 29.341 9.664 -6.363 115 HG22 ILE 15 2HG2 ILE 15 28.221 9.904 -7.705 116 HG23 ILE 15 3HG2 ILE 15 28.439 8.296 -7.014 117 HD11 ILE 15 1HD1 ILE 15 24.548 9.859 -7.865 118 HD12 ILE 15 2HD1 ILE 15 26.196 9.680 -8.468 119 HD13 ILE 15 3HD1 ILE 15 25.787 11.029 -7.409 120 H LEU 16 H LEU 16 27.924 10.971 -3.034 121 HA LEU 16 HA LEU 16 30.744 11.104 -3.131 122 HB2 LEU 16 1HB LEU 16 28.751 12.242 -1.177 123 HB3 LEU 16 2HB LEU 16 30.483 12.548 -1.057 124 HG LEU 16 HG LEU 16 28.914 13.060 -3.592 125 HD11 LEU 16 1HD1 LEU 16 29.248 14.744 -1.138 126 HD12 LEU 16 2HD1 LEU 16 27.895 14.652 -2.264 127 HD13 LEU 16 3HD1 LEU 16 29.343 15.548 -2.705 128 HD21 LEU 16 1HD2 LEU 16 31.678 13.695 -2.564 129 HD22 LEU 16 2HD2 LEU 16 30.947 14.671 -3.840 130 HD23 LEU 16 3HD2 LEU 16 31.214 12.947 -4.093 131 H LEU 17 H LEU 17 28.556 9.417 -0.911 132 HA LEU 17 HA LEU 17 30.501 8.596 0.950 133 HB2 LEU 17 1HB LEU 17 28.038 8.277 1.226 134 HB3 LEU 17 2HB LEU 17 28.116 6.971 0.042 135 HG LEU 17 HG LEU 17 29.870 5.879 1.501 136 HD11 LEU 17 1HD1 LEU 17 30.663 7.667 2.846 137 HD12 LEU 17 2HD1 LEU 17 29.707 6.676 3.948 138 HD13 LEU 17 3HD1 LEU 17 29.029 8.165 3.288 139 HD21 LEU 17 1HD2 LEU 17 28.164 5.160 3.241 140 HD22 LEU 17 2HD2 LEU 17 27.624 5.022 1.569 141 HD23 LEU 17 3HD2 LEU 17 27.075 6.371 2.563 142 H LEU 18 H LEU 18 29.616 7.257 -2.210 143 HA LEU 18 HA LEU 18 31.216 4.936 -2.089 144 HB2 LEU 18 1HB LEU 18 30.628 6.629 -4.528 145 HB3 LEU 18 2HB LEU 18 31.171 4.954 -4.527 146 HG LEU 18 HG LEU 18 28.588 5.923 -3.268 147 HD11 LEU 18 1HD1 LEU 18 28.632 6.068 -5.768 148 HD12 LEU 18 2HD1 LEU 18 27.476 4.880 -5.166 149 HD13 LEU 18 3HD1 LEU 18 29.024 4.349 -5.824 150 HD21 LEU 18 1HD2 LEU 18 29.241 3.947 -2.137 151 HD22 LEU 18 2HD2 LEU 18 29.905 3.225 -3.603 152 HD23 LEU 18 3HD2 LEU 18 28.159 3.369 -3.403 153 H LEU 19 H LEU 19 32.033 8.279 -2.954 154 HA LEU 19 HA LEU 19 34.731 7.838 -3.643 155 HB2 LEU 19 1HB LEU 19 33.508 10.015 -3.889 156 HB3 LEU 19 2HB LEU 19 33.676 10.245 -2.149 157 HG LEU 19 HG LEU 19 36.176 9.927 -2.459 158 HD11 LEU 19 1HD1 LEU 19 36.893 10.520 -4.866 159 HD12 LEU 19 2HD1 LEU 19 35.261 10.044 -5.335 160 HD13 LEU 19 3HD1 LEU 19 36.338 8.872 -4.577 161 HD21 LEU 19 1HD2 LEU 19 36.433 12.252 -3.503 162 HD22 LEU 19 2HD2 LEU 19 35.371 12.148 -2.098 163 HD23 LEU 19 3HD2 LEU 19 34.683 12.238 -3.721 164 H ALA 20 H ALA 20 33.177 8.146 -0.484 165 HA ALA 20 HA ALA 20 35.495 8.143 1.113 166 HB1 ALA 20 1HB ALA 20 33.035 6.646 1.950 167 HB2 ALA 20 2HB ALA 20 32.970 8.398 1.758 168 HB3 ALA 20 3HB ALA 20 34.094 7.678 2.911 169 H CYS 21 H CYS 21 33.690 5.476 -0.364 170 HA CYS 21 HA CYS 21 35.096 3.350 0.828 171 HB2 CYS 21 1HB CYS 21 33.025 3.444 -0.859 172 HB3 CYS 21 2HB CYS 21 34.292 3.102 -2.035 173 HG CYS 21 HG CYS 21 34.712 0.845 -0.966 174 H ILE 22 H ILE 22 35.816 5.285 -2.065 175 HA ILE 22 HA ILE 22 38.123 3.882 -2.880 176 HB ILE 22 HB ILE 22 37.666 6.865 -3.086 177 HG12 ILE 22 1HG1 ILE 22 35.734 5.660 -3.998 178 HG13 ILE 22 2HG1 ILE 22 36.680 6.368 -5.301 179 HG21 ILE 22 1HG2 ILE 22 39.063 6.555 -5.163 180 HG22 ILE 22 2HG2 ILE 22 39.390 4.909 -4.622 181 HG23 ILE 22 3HG2 ILE 22 39.930 6.280 -3.653 182 HD11 ILE 22 1HD1 ILE 22 36.755 3.468 -4.411 183 HD12 ILE 22 2HD1 ILE 22 37.776 4.158 -5.672 184 HD13 ILE 22 3HD1 ILE 22 36.030 4.086 -5.892 185 H PHE 23 H PHE 23 37.689 6.424 -0.439 186 HA PHE 23 HA PHE 23 40.407 6.797 0.200 187 HB2 PHE 23 1HB PHE 23 38.466 8.155 1.055 188 HB3 PHE 23 2HB PHE 23 38.121 6.844 2.166 189 HD1 PHE 23 HD1 PHE 23 40.447 9.564 1.315 190 HD2 PHE 23 HD2 PHE 23 39.551 6.408 4.088 191 HE1 PHE 23 HE1 PHE 23 42.070 10.521 2.927 192 HE2 PHE 23 HE2 PHE 23 41.176 7.364 5.700 193 HZ PHE 23 HZ PHE 23 42.435 9.421 5.120 194 H LEU 24 H LEU 24 38.102 4.313 1.240 195 HA LEU 24 HA LEU 24 39.724 3.070 3.177 196 HB2 LEU 24 1HB LEU 24 37.315 2.525 2.734 197 HB3 LEU 24 2HB LEU 24 37.834 1.650 1.293 198 HG LEU 24 HG LEU 24 39.396 0.328 2.812 199 HD11 LEU 24 1HD1 LEU 24 37.788 1.890 4.824 200 HD12 LEU 24 2HD1 LEU 24 39.526 1.591 4.791 201 HD13 LEU 24 3HD1 LEU 24 38.417 0.292 5.231 202 HD21 LEU 24 1HD2 LEU 24 37.464 -1.066 3.718 203 HD22 LEU 24 2HD2 LEU 24 37.408 -0.735 1.986 204 HD23 LEU 24 3HD2 LEU 24 36.384 0.180 3.092 205 H ILE 25 H ILE 25 39.672 2.747 -0.355 206 HA ILE 25 HA ILE 25 41.521 0.626 -0.554 207 HB ILE 25 HB ILE 25 41.232 2.969 -2.453 208 HG12 ILE 25 1HG1 ILE 25 39.859 0.265 -2.504 209 HG13 ILE 25 2HG1 ILE 25 39.090 1.746 -1.931 210 HG21 ILE 25 1HG2 ILE 25 42.230 0.138 -2.890 211 HG22 ILE 25 2HG2 ILE 25 43.255 1.570 -2.800 212 HG23 ILE 25 3HG2 ILE 25 42.101 1.394 -4.121 213 HD11 ILE 25 1HD1 ILE 25 39.694 2.770 -4.195 214 HD12 ILE 25 2HD1 ILE 25 38.437 1.532 -4.216 215 HD13 ILE 25 3HD1 ILE 25 40.079 1.132 -4.721 216 H LYS 26 H LYS 26 42.023 4.123 -0.161 217 HA LYS 26 HA LYS 26 44.837 4.106 -0.348 218 HB2 LYS 26 1HB LYS 26 43.435 6.171 -0.233 219 HB3 LYS 26 2HB LYS 26 43.193 5.859 1.486 220 HG2 LYS 26 1HG LYS 26 45.592 5.986 1.895 221 HG3 LYS 26 2HG LYS 26 45.903 6.181 0.171 222 HD2 LYS 26 1HD LYS 26 45.988 8.373 1.166 223 HD3 LYS 26 2HD LYS 26 44.494 8.273 0.235 224 HE2 LYS 26 1HE LYS 26 44.140 9.290 2.479 225 HE3 LYS 26 2HE LYS 26 43.217 7.805 2.266 226 HZ1 LYS 26 1HZ LYS 26 45.903 7.545 3.369 227 HZ2 LYS 26 2HZ LYS 26 44.483 6.693 3.750 228 HZ3 LYS 26 3HZ LYS 26 44.734 8.252 4.376 229 H ILE 27 H ILE 27 42.694 3.298 2.353 230 HA ILE 27 HA ILE 27 44.680 3.046 4.340 231 HB ILE 27 HB ILE 27 42.210 1.321 4.098 232 HG12 ILE 27 1HG1 ILE 27 41.583 3.693 3.930 233 HG13 ILE 27 2HG1 ILE 27 41.101 3.040 5.491 234 HG21 ILE 27 1HG2 ILE 27 42.426 1.444 6.636 235 HG22 ILE 27 2HG2 ILE 27 44.043 2.096 6.366 236 HG23 ILE 27 3HG2 ILE 27 43.639 0.477 5.797 237 HD11 ILE 27 1HD1 ILE 27 42.113 5.253 5.776 238 HD12 ILE 27 2HD1 ILE 27 43.570 4.718 4.944 239 HD13 ILE 27 3HD1 ILE 27 43.146 4.029 6.511 240 H LEU 28 H LEU 28 43.622 0.784 1.827 241 HA LEU 28 HA LEU 28 45.176 -1.427 2.631 242 HB2 LEU 28 1HB LEU 28 44.605 -0.571 -0.216 243 HB3 LEU 28 2HB LEU 28 45.076 -2.180 0.322 244 HG LEU 28 HG LEU 28 42.557 -0.749 1.215 245 HD11 LEU 28 1HD1 LEU 28 42.816 -3.104 -0.672 246 HD12 LEU 28 2HD1 LEU 28 42.647 -1.440 -1.229 247 HD13 LEU 28 3HD1 LEU 28 41.357 -2.190 -0.289 248 HD21 LEU 28 1HD2 LEU 28 43.135 -2.298 2.905 249 HD22 LEU 28 2HD2 LEU 28 43.769 -3.463 1.743 250 HD23 LEU 28 3HD2 LEU 28 42.030 -3.208 1.876 251 H ALA 29 H ALA 29 46.059 1.467 0.798 252 HA ALA 29 HA ALA 29 48.763 0.816 0.318 253 HB1 ALA 29 1HB ALA 29 47.940 3.605 1.049 254 HB2 ALA 29 2HB ALA 29 47.341 2.874 -0.440 255 HB3 ALA 29 3HB ALA 29 49.076 3.064 -0.187 256 H ALA 30 H ALA 30 47.162 2.136 3.182 257 HA ALA 30 HA ALA 30 49.440 2.733 4.708 258 HB1 ALA 30 1HB ALA 30 46.919 3.147 5.212 259 HB2 ALA 30 2HB ALA 30 48.018 2.841 6.558 260 HB3 ALA 30 3HB ALA 30 46.978 1.550 5.957 261 H SER 31 H SER 31 47.766 -0.337 4.173 262 HA SER 31 HA SER 31 49.202 -1.925 5.998 263 HB2 SER 31 1HB SER 31 48.217 -2.733 3.250 264 HB3 SER 31 2HB SER 31 48.612 -3.818 4.581 265 HG SER 31 HG SER 31 46.953 -2.750 5.784 266 H ALA 32 H ALA 32 50.053 -0.783 2.748 267 HA ALA 32 HA ALA 32 52.416 -2.301 2.426 268 HB1 ALA 32 1HB ALA 32 52.969 -0.824 0.683 269 HB2 ALA 32 2HB ALA 32 52.144 0.534 1.450 270 HB3 ALA 32 3HB ALA 32 51.207 -0.772 0.725 271 H LEU 33 H LEU 33 51.816 0.831 4.001 272 HA LEU 33 HA LEU 33 54.480 1.421 4.689 273 HB2 LEU 33 1HB LEU 33 51.979 2.044 6.276 274 HB3 LEU 33 2HB LEU 33 53.540 2.842 6.445 275 HG LEU 33 HG LEU 33 51.896 2.803 3.898 276 HD11 LEU 33 1HD1 LEU 33 52.327 5.000 5.947 277 HD12 LEU 33 2HD1 LEU 33 50.816 4.135 5.667 278 HD13 LEU 33 3HD1 LEU 33 51.475 5.187 4.414 279 HD21 LEU 33 1HD2 LEU 33 53.548 4.727 3.390 280 HD22 LEU 33 2HD2 LEU 33 54.174 3.081 3.296 281 HD23 LEU 33 3HD2 LEU 33 54.514 4.074 4.713 282 H TRP 34 H TRP 34 52.087 -0.667 6.275 283 HA TRP 34 HA TRP 34 53.592 -1.309 8.571 284 HB2 TRP 34 1HB TRP 34 51.198 -1.989 8.033 285 HB3 TRP 34 2HB TRP 34 51.886 -3.277 7.063 286 HD1 TRP 34 HD1 TRP 34 52.382 -5.457 8.267 287 HE1 TRP 34 HE1 TRP 34 52.519 -6.202 10.731 288 HE3 TRP 34 HE3 TRP 34 51.916 -0.931 10.585 289 HZ2 TRP 34 HZ2 TRP 34 52.441 -5.032 13.344 290 HZ3 TRP 34 HZ3 TRP 34 51.950 -0.773 13.055 291 HH2 TRP 34 HH2 TRP 34 52.211 -2.814 14.437 292 H ALA 35 H ALA 35 53.796 -2.538 5.261 293 HA ALA 35 HA ALA 35 55.733 -4.536 5.688 294 HB1 ALA 35 1HB ALA 35 54.443 -3.799 3.518 295 HB2 ALA 35 2HB ALA 35 56.038 -4.538 3.390 296 HB3 ALA 35 3HB ALA 35 55.866 -2.788 3.260 297 H ALA 36 H ALA 36 56.064 -1.038 5.270 298 HA ALA 36 HA ALA 36 58.873 -0.900 5.193 299 HB1 ALA 36 1HB ALA 36 58.635 1.378 5.542 300 HB2 ALA 36 2HB ALA 36 57.308 1.171 6.685 301 HB3 ALA 36 3HB ALA 36 57.023 0.965 4.957 302 H ALA 37 H ALA 37 56.640 -1.059 7.940 303 HA ALA 37 HA ALA 37 58.554 -0.879 10.004 304 HB1 ALA 37 1HB ALA 37 56.000 -0.845 10.186 305 HB2 ALA 37 2HB ALA 37 56.879 -1.712 11.446 306 HB3 ALA 37 3HB ALA 37 56.090 -2.606 10.145 307 H TRP 38 H TRP 38 57.399 -3.651 8.137 308 HA TRP 38 HA TRP 38 58.712 -5.708 9.480 309 HB2 TRP 38 1HB TRP 38 57.062 -5.882 7.560 310 HB3 TRP 38 2HB TRP 38 58.416 -5.578 6.490 311 HD1 TRP 38 HD1 TRP 38 60.169 -7.500 6.133 312 HE1 TRP 38 HE1 TRP 38 60.130 -10.017 6.685 313 HE3 TRP 38 HE3 TRP 38 56.195 -7.637 9.335 314 HZ2 TRP 38 HZ2 TRP 38 58.609 -11.851 8.276 315 HZ3 TRP 38 HZ3 TRP 38 55.473 -9.776 10.352 316 HH2 TRP 38 HH2 TRP 38 56.672 -11.881 9.829 317 H HIS 39 H HIS 39 60.037 -3.400 7.140 318 HA HIS 39 HA HIS 39 62.650 -4.610 7.153 319 HB2 HIS 39 1HB HIS 39 61.889 -3.076 5.361 320 HB3 HIS 39 2HB HIS 39 61.831 -1.766 6.524 321 HD1 HIS 39 HD1 HIS 39 64.431 -4.273 5.273 322 HD2 HIS 39 HD2 HIS 39 64.155 -0.296 6.493 323 HE1 HIS 39 HE1 HIS 39 66.738 -3.274 4.981 324 H GLY 40 H GLY 40 61.611 -1.450 8.474 325 HA2 GLY 40 1HA GLY 40 62.560 -2.355 11.101 326 HA3 GLY 40 2HA GLY 40 63.149 -0.808 10.495 327 H GLN 41 H GLN 41 60.730 -2.255 12.311 328 HA GLN 41 HA GLN 41 58.620 -0.514 12.176 329 HB2 GLN 41 1HB GLN 41 58.841 -2.398 13.792 330 HB3 GLN 41 2HB GLN 41 59.955 -1.413 14.741 331 HG2 GLN 41 1HG GLN 41 58.161 0.328 14.934 332 HG3 GLN 41 2HG GLN 41 57.054 -0.785 14.131 333 HE21 GLN 41 1HE2 GLN 41 55.800 -1.928 15.599 334 HE22 GLN 41 2HE2 GLN 41 56.297 -2.394 17.154 335 H LYS 42 H LYS 42 58.137 1.539 12.923 336 HA LYS 42 HA LYS 42 60.113 3.488 12.776 337 HB2 LYS 42 1HB LYS 42 57.368 3.550 14.036 338 HB3 LYS 42 2HB LYS 42 58.383 4.984 13.872 339 HG2 LYS 42 1HG LYS 42 58.371 4.850 11.495 340 HG3 LYS 42 2HG LYS 42 57.717 3.210 11.516 341 HD2 LYS 42 1HD LYS 42 55.582 3.963 12.266 342 HD3 LYS 42 2HD LYS 42 56.205 5.566 12.661 343 HE2 LYS 42 1HE LYS 42 56.770 5.813 10.185 344 HE3 LYS 42 2HE LYS 42 55.805 4.362 9.915 345 HZ1 LYS 42 1HZ LYS 42 54.822 6.810 11.276 346 HZ2 LYS 42 2HZ LYS 42 53.906 5.439 10.871 347 HZ3 LYS 42 3HZ LYS 42 54.535 6.435 9.647 348 HA PRO 43 HA PRO 43 62.176 3.306 16.716 349 HB2 PRO 43 1HB PRO 43 62.093 6.278 16.827 350 HB3 PRO 43 2HB PRO 43 63.486 5.181 16.903 351 HG2 PRO 43 1HG PRO 43 62.966 6.636 14.736 352 HG3 PRO 43 2HG PRO 43 63.641 4.999 14.628 353 HD2 PRO 43 1HD PRO 43 60.847 5.917 14.087 354 HD3 PRO 43 2HD PRO 43 61.791 4.635 13.295 355 H GLY 44 H GLY 44 61.649 3.329 18.894 356 HA2 GLY 44 1HA GLY 44 58.976 3.522 19.664 357 HA3 GLY 44 2HA GLY 44 60.339 3.513 20.775 358 H THR 45 H THR 45 61.419 6.030 19.516 359 HA THR 45 HA THR 45 61.438 8.240 20.145 360 HB THR 45 HB THR 45 59.400 9.457 19.358 361 HG1 THR 45 HG1 THR 45 58.465 6.933 18.537 362 HG21 THR 45 1HG2 THR 45 59.868 9.061 17.094 363 HG22 THR 45 2HG2 THR 45 60.137 7.337 17.354 364 HG23 THR 45 3HG2 THR 45 61.337 8.508 17.897 365 H HIS 46 H HIS 46 61.269 6.905 22.437 366 HA HIS 46 HA HIS 46 59.021 8.004 23.977 367 HB2 HIS 46 1HB HIS 46 61.188 6.063 24.789 368 HB3 HIS 46 2HB HIS 46 59.829 6.551 25.782 369 HD1 HIS 46 HD1 HIS 46 57.383 5.948 24.624 370 HD2 HIS 46 HD2 HIS 46 60.704 3.794 23.316 371 HE1 HIS 46 HE1 HIS 46 56.486 3.866 23.497
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