NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637989 | 5zpv | 36180 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 1 H GLN 1 0.031 -1.505 -4.673 2 HA GLN 1 HA GLN 1 2.418 -1.180 -4.699 3 HB2 GLN 1 2HB GLN 1 3.835 -3.250 -4.302 4 HB3 GLN 1 3HB GLN 1 3.027 -2.578 -2.892 5 HG2 GLN 1 2HG GLN 1 1.345 -4.529 -4.150 6 HG3 GLN 1 3HG GLN 1 2.938 -5.211 -3.830 7 HE21 GLN 1 1HE2 GLN 1 3.758 -5.034 -1.640 8 HE22 GLN 1 2HE2 GLN 1 2.645 -5.054 -0.319 9 H ALA 2 H ALA 2 0.531 -1.578 -6.691 10 HA ALA 2 HA ALA 2 2.200 -2.689 -8.768 11 HB1 ALA 2 1HB ALA 2 0.255 -4.113 -9.623 12 HB2 ALA 2 2HB ALA 2 1.181 -4.731 -8.255 13 HB3 ALA 2 3HB ALA 2 -0.393 -3.982 -7.988 14 H ALA 3 H ALA 3 2.087 -0.383 -9.251 15 HA ALA 3 HA ALA 3 1.329 1.408 -10.435 16 HB1 ALA 3 1HB ALA 3 -0.731 0.058 -11.963 17 HB2 ALA 3 2HB ALA 3 0.765 0.817 -12.507 18 HB3 ALA 3 3HB ALA 3 0.780 -0.851 -11.935 19 H SER 4 H SER 4 -1.034 2.271 -11.376 20 HA SER 4 HA SER 4 -3.312 1.813 -9.823 21 HB2 SER 4 2HB SER 4 -1.319 3.284 -8.427 22 HB3 SER 4 3HB SER 4 -2.622 4.405 -8.824 23 HG SER 4 HG SER 4 -3.047 1.871 -7.626 24 H VAL 5 H VAL 5 -4.623 2.229 -11.491 25 HA VAL 5 HA VAL 5 -4.389 4.857 -12.808 26 HB VAL 5 HB VAL 5 -5.459 3.844 -14.788 27 HG11 VAL 5 1HG1 VAL 5 -3.463 3.270 -15.643 28 HG12 VAL 5 2HG1 VAL 5 -2.845 3.716 -14.051 29 HG13 VAL 5 3HG1 VAL 5 -3.186 2.026 -14.424 30 HG21 VAL 5 1HG2 VAL 5 -5.314 1.360 -13.107 31 HG22 VAL 5 2HG2 VAL 5 -6.706 2.043 -13.946 32 HG23 VAL 5 3HG2 VAL 5 -5.404 1.290 -14.867 33 H GLU 6 H GLU 6 -6.293 5.988 -13.280 34 HA GLU 6 HA GLU 6 -8.770 4.937 -12.107 35 HB2 GLU 6 2HB GLU 6 -7.269 7.349 -11.303 36 HB3 GLU 6 3HB GLU 6 -9.000 7.574 -11.511 37 HG2 GLU 6 2HG GLU 6 -8.305 5.188 -9.983 38 HG3 GLU 6 3HG GLU 6 -7.770 6.695 -9.240 39 HA PRO 7 HA PRO 7 -10.130 6.260 -16.149 40 HB2 PRO 7 2HB PRO 7 -12.672 5.346 -15.878 41 HB3 PRO 7 3HB PRO 7 -11.304 4.287 -16.236 42 HG2 PRO 7 2HG PRO 7 -12.651 4.820 -13.617 43 HG3 PRO 7 3HG PRO 7 -12.100 3.279 -14.298 44 HD2 PRO 7 2HD PRO 7 -10.686 4.634 -12.429 45 HD3 PRO 7 3HD PRO 7 -9.909 3.645 -13.683 46 H TYR 8 H TYR 8 -10.273 8.448 -16.194 47 HA TYR 8 HA TYR 8 -11.037 10.571 -15.820 48 HB2 TYR 8 2HB TYR 8 -13.846 10.011 -15.666 49 HB3 TYR 8 3HB TYR 8 -12.931 10.711 -16.997 50 HD1 TYR 8 HD1 TYR 8 -11.769 9.101 -18.612 51 HD2 TYR 8 HD2 TYR 8 -14.769 7.870 -15.858 52 HE1 TYR 8 HE1 TYR 8 -12.161 7.077 -19.953 53 HE2 TYR 8 HE2 TYR 8 -15.168 5.841 -17.190 54 HH TYR 8 HH TYR 8 -13.141 4.631 -19.350 55 H SER 9 H SER 9 -10.300 11.000 -13.751 56 HA SER 9 HA SER 9 -12.380 11.204 -11.735 57 HB2 SER 9 2HB SER 9 -9.782 9.796 -11.083 58 HB3 SER 9 3HB SER 9 -11.149 10.059 -10.000 59 HG SER 9 HG SER 9 -12.388 8.742 -11.477 60 H ASP 10 H ASP 10 -11.989 13.442 -12.359 61 HA ASP 10 HA ASP 10 -9.573 14.792 -12.094 62 HB2 ASP 10 2HB ASP 10 -10.830 16.804 -12.079 63 HB3 ASP 10 3HB ASP 10 -11.758 15.669 -13.056 64 H ALA 11 H ALA 11 -11.798 13.675 -9.669 65 HA ALA 11 HA ALA 11 -10.839 15.298 -7.533 66 HB1 ALA 11 1HB ALA 11 -12.960 13.558 -7.899 67 HB2 ALA 11 2HB ALA 11 -11.955 12.762 -6.686 68 HB3 ALA 11 3HB ALA 11 -12.539 14.403 -6.409 69 H ALA 12 H ALA 12 -9.601 12.553 -9.127 70 HA ALA 12 HA ALA 12 -8.021 11.630 -6.875 71 HB1 ALA 12 1HB ALA 12 -9.041 10.158 -8.717 72 HB2 ALA 12 2HB ALA 12 -7.684 10.701 -9.705 73 HB3 ALA 12 3HB ALA 12 -7.386 9.824 -8.204 74 H PHE 13 H PHE 13 -7.576 13.432 -9.867 75 HA PHE 13 HA PHE 13 -4.848 13.496 -10.111 76 HB2 PHE 13 2HB PHE 13 -6.021 14.601 -11.802 77 HB3 PHE 13 3HB PHE 13 -6.960 15.555 -10.660 78 HD1 PHE 13 HD1 PHE 13 -3.308 15.032 -11.228 79 HD2 PHE 13 HD2 PHE 13 -6.529 17.792 -10.881 80 HE1 PHE 13 HE1 PHE 13 -1.731 16.901 -11.501 81 HE2 PHE 13 HE2 PHE 13 -4.958 19.665 -11.155 82 HZ PHE 13 HZ PHE 13 -2.556 19.221 -11.466 83 H THR 14 H THR 14 -6.850 15.207 -7.800 84 HA THR 14 HA THR 14 -4.658 16.796 -6.792 85 HB THR 14 HB THR 14 -6.402 17.307 -4.941 86 HG1 THR 14 HG1 THR 14 -7.686 15.391 -6.051 87 HG21 THR 14 1HG2 THR 14 -7.767 18.528 -6.998 88 HG22 THR 14 2HG2 THR 14 -6.181 18.216 -7.704 89 HG23 THR 14 3HG2 THR 14 -6.316 19.149 -6.214 90 H GLN 15 H GLN 15 -6.465 13.930 -5.807 91 HA GLN 15 HA GLN 15 -5.293 13.667 -3.246 92 HB2 GLN 15 2HB GLN 15 -6.413 11.460 -4.979 93 HB3 GLN 15 3HB GLN 15 -6.224 11.437 -3.230 94 HG2 GLN 15 2HG GLN 15 -7.805 13.695 -4.067 95 HG3 GLN 15 3HG GLN 15 -8.478 12.184 -4.677 96 HE21 GLN 15 1HE2 GLN 15 -7.583 13.977 -1.819 97 HE22 GLN 15 2HE2 GLN 15 -8.519 13.047 -0.704 98 H ALA 16 H ALA 16 -4.232 12.831 -6.436 99 HA ALA 16 HA ALA 16 -2.241 10.937 -5.628 100 HB1 ALA 16 1HB ALA 16 -2.440 10.481 -7.794 101 HB2 ALA 16 2HB ALA 16 -3.254 12.015 -8.107 102 HB3 ALA 16 3HB ALA 16 -1.492 11.933 -8.116 103 H GLN 17 H GLN 17 -2.344 14.399 -6.158 104 HA GLN 17 HA GLN 17 0.537 14.660 -5.897 105 HB2 GLN 17 2HB GLN 17 0.202 17.003 -6.324 106 HB3 GLN 17 3HB GLN 17 -0.767 16.087 -7.470 107 HG2 GLN 17 2HG GLN 17 -2.769 16.560 -6.277 108 HG3 GLN 17 3HG GLN 17 -1.868 17.255 -4.930 109 HE21 GLN 17 1HE2 GLN 17 -2.692 17.685 -8.321 110 HE22 GLN 17 2HE2 GLN 17 -2.506 19.402 -8.340 111 H ALA 18 H ALA 18 -2.305 14.896 -3.939 112 HA ALA 18 HA ALA 18 -1.023 16.386 -1.821 113 HB1 ALA 18 1HB ALA 18 -3.194 16.888 -1.588 114 HB2 ALA 18 2HB ALA 18 -3.723 15.421 -2.412 115 HB3 ALA 18 3HB ALA 18 -3.289 15.365 -0.704 116 H SER 19 H SER 19 -0.740 13.286 -2.867 117 HA SER 19 HA SER 19 -0.454 12.146 -0.177 118 HB2 SER 19 2HB SER 19 -0.843 10.951 -2.901 119 HB3 SER 19 3HB SER 19 -0.122 9.984 -1.614 120 HG SER 19 HG SER 19 -2.481 9.881 -1.830 121 H GLY 20 H GLY 20 1.363 13.566 -2.602 122 HA2 GLY 20 2HA GLY 20 3.629 13.838 -2.861 123 HA3 GLY 20 3HA GLY 20 3.823 13.069 -1.293 124 H ALA 21 H ALA 21 2.294 11.610 -4.109 125 HA ALA 21 HA ALA 21 4.555 9.724 -4.270 126 HB1 ALA 21 1HB ALA 21 3.202 7.963 -4.060 127 HB2 ALA 21 2HB ALA 21 1.992 9.105 -3.473 128 HB3 ALA 21 3HB ALA 21 2.012 8.639 -5.173 129 HA PRO 22 HA PRO 22 4.839 10.467 -8.585 130 HB2 PRO 22 2HB PRO 22 5.306 7.989 -9.591 131 HB3 PRO 22 3HB PRO 22 6.507 8.889 -8.658 132 HG2 PRO 22 2HG PRO 22 4.662 6.707 -7.766 133 HG3 PRO 22 3HG PRO 22 6.378 6.946 -7.386 134 HD2 PRO 22 2HD PRO 22 4.396 7.622 -5.668 135 HD3 PRO 22 3HD PRO 22 5.927 8.516 -5.759 136 H VAL 23 H VAL 23 2.981 11.126 -9.526 137 HA VAL 23 HA VAL 23 1.261 9.073 -10.692 138 HB VAL 23 HB VAL 23 0.016 11.434 -9.301 139 HG11 VAL 23 1HG1 VAL 23 -1.931 10.627 -10.038 140 HG12 VAL 23 2HG1 VAL 23 -0.973 9.624 -11.129 141 HG13 VAL 23 3HG1 VAL 23 -1.514 8.976 -9.580 142 HG21 VAL 23 1HG2 VAL 23 0.948 10.348 -7.472 143 HG22 VAL 23 2HG2 VAL 23 -0.657 9.626 -7.580 144 HG23 VAL 23 3HG2 VAL 23 0.747 8.750 -8.190 145 H LEU 24 H LEU 24 1.079 9.486 -12.785 146 HA LEU 24 HA LEU 24 1.386 12.259 -13.713 147 HB2 LEU 24 2HB LEU 24 3.047 10.934 -14.701 148 HB3 LEU 24 3HB LEU 24 1.931 9.602 -14.994 149 HG LEU 24 HG LEU 24 1.427 12.163 -16.413 150 HD11 LEU 24 1HD1 LEU 24 3.062 10.765 -18.142 151 HD12 LEU 24 2HD1 LEU 24 3.918 10.689 -16.603 152 HD13 LEU 24 3HD1 LEU 24 3.472 12.252 -17.286 153 HD21 LEU 24 1HD2 LEU 24 0.176 10.869 -17.745 154 HD22 LEU 24 2HD2 LEU 24 0.303 9.675 -16.453 155 HD23 LEU 24 3HD2 LEU 24 1.402 9.604 -17.831 156 H VAL 25 H VAL 25 -0.016 13.095 -15.297 157 HA VAL 25 HA VAL 25 -2.622 11.728 -15.413 158 HB VAL 25 HB VAL 25 -2.118 14.667 -15.870 159 HG11 VAL 25 1HG1 VAL 25 -4.632 13.084 -15.350 160 HG12 VAL 25 2HG1 VAL 25 -4.545 14.843 -15.469 161 HG13 VAL 25 3HG1 VAL 25 -4.163 13.843 -16.871 162 HG21 VAL 25 1HG2 VAL 25 -2.841 13.195 -13.347 163 HG22 VAL 25 2HG2 VAL 25 -1.479 14.282 -13.619 164 HG23 VAL 25 3HG2 VAL 25 -3.122 14.922 -13.568 165 H ASP 26 H ASP 26 -3.604 11.355 -17.343 166 HA ASP 26 HA ASP 26 -2.406 12.440 -19.780 167 HB2 ASP 26 2HB ASP 26 -1.656 9.967 -18.994 168 HB3 ASP 26 3HB ASP 26 -3.108 9.565 -19.907 169 H VAL 27 H VAL 27 -4.087 13.521 -20.596 170 HA VAL 27 HA VAL 27 -6.794 12.539 -20.316 171 HB VAL 27 HB VAL 27 -6.098 14.870 -22.053 172 HG11 VAL 27 1HG1 VAL 27 -8.313 14.494 -20.047 173 HG12 VAL 27 2HG1 VAL 27 -8.199 15.719 -21.312 174 HG13 VAL 27 3HG1 VAL 27 -8.437 14.024 -21.742 175 HG21 VAL 27 1HG2 VAL 27 -4.799 15.629 -20.348 176 HG22 VAL 27 2HG2 VAL 27 -6.370 16.140 -19.728 177 HG23 VAL 27 3HG2 VAL 27 -5.628 14.654 -19.134 178 H TYR 28 H TYR 28 -8.154 11.896 -21.978 179 HA TYR 28 HA TYR 28 -6.990 11.556 -24.643 180 HB2 TYR 28 2HB TYR 28 -7.286 9.271 -24.749 181 HB3 TYR 28 3HB TYR 28 -6.831 9.457 -23.059 182 HD1 TYR 28 HD1 TYR 28 -9.486 8.554 -25.373 183 HD2 TYR 28 HD2 TYR 28 -8.542 9.283 -21.289 184 HE1 TYR 28 HE1 TYR 28 -11.571 7.436 -24.698 185 HE2 TYR 28 HE2 TYR 28 -10.623 8.167 -20.602 186 HH TYR 28 HH TYR 28 -12.467 6.271 -22.687 187 H ALA 29 H ALA 29 -8.627 10.989 -26.282 188 HA ALA 29 HA ALA 29 -11.323 11.910 -25.534 189 HB1 ALA 29 1HB ALA 29 -9.508 13.223 -27.235 190 HB2 ALA 29 2HB ALA 29 -10.764 12.539 -28.267 191 HB3 ALA 29 3HB ALA 29 -11.202 13.618 -26.943 192 H ASP 30 H ASP 30 -12.923 11.377 -27.381 193 HA ASP 30 HA ASP 30 -13.222 8.644 -27.584 194 HB2 ASP 30 2HB ASP 30 -14.845 10.645 -28.148 195 HB3 ASP 30 3HB ASP 30 -14.270 10.370 -29.790 196 H TRP 31 H TRP 31 -11.748 10.865 -29.918 197 HA TRP 31 HA TRP 31 -10.045 8.810 -30.936 198 HB2 TRP 31 2HB TRP 31 -12.430 8.606 -32.075 199 HB3 TRP 31 3HB TRP 31 -11.817 9.929 -33.064 200 HD1 TRP 31 HD1 TRP 31 -8.739 8.720 -33.062 201 HE1 TRP 31 HE1 TRP 31 -8.252 6.760 -34.658 202 HE3 TRP 31 HE3 TRP 31 -13.520 7.066 -33.798 203 HZ2 TRP 31 HZ2 TRP 31 -9.703 4.776 -36.045 204 HZ3 TRP 31 HZ3 TRP 31 -13.885 5.132 -35.274 205 HH2 TRP 31 HH2 TRP 31 -12.015 4.012 -36.374 206 H CYS 32 H CYS 32 -9.221 11.038 -29.807 207 HA CYS 32 HA CYS 32 -8.911 13.227 -31.629 208 HB2 CYS 32 2HB CYS 32 -8.238 12.638 -28.853 209 HB3 CYS 32 3HB CYS 32 -6.962 13.527 -29.677 210 HG CYS 32 HG CYS 32 -10.216 14.575 -29.652 211 HA PRO 33 HA PRO 33 -5.275 12.110 -33.809 212 HB2 PRO 33 2HB PRO 33 -3.890 14.444 -33.887 213 HB3 PRO 33 3HB PRO 33 -5.362 14.169 -34.825 214 HG2 PRO 33 2HG PRO 33 -5.015 15.613 -32.226 215 HG3 PRO 33 3HG PRO 33 -5.988 16.068 -33.638 216 HD2 PRO 33 2HD PRO 33 -7.067 14.927 -31.431 217 HD3 PRO 33 3HD PRO 33 -7.714 14.653 -33.062 218 H VAL 34 H VAL 34 -4.937 13.498 -30.638 219 HA VAL 34 HA VAL 34 -2.117 12.968 -30.409 220 HB VAL 34 HB VAL 34 -4.161 13.676 -28.300 221 HG11 VAL 34 1HG1 VAL 34 -1.417 12.787 -28.086 222 HG12 VAL 34 2HG1 VAL 34 -1.636 14.398 -27.401 223 HG13 VAL 34 3HG1 VAL 34 -2.617 13.052 -26.822 224 HG21 VAL 34 1HG2 VAL 34 -3.503 15.314 -30.216 225 HG22 VAL 34 2HG2 VAL 34 -3.556 15.891 -28.550 226 HG23 VAL 34 3HG2 VAL 34 -2.009 15.493 -29.296 227 H CYS 35 H CYS 35 -5.033 11.606 -28.870 228 HA CYS 35 HA CYS 35 -3.642 9.460 -27.639 229 HB2 CYS 35 2HB CYS 35 -5.768 10.248 -26.752 230 HB3 CYS 35 3HB CYS 35 -6.585 9.807 -28.247 231 HG CYS 35 HG CYS 35 -7.393 7.620 -27.159 232 H LYS 36 H LYS 36 -4.931 9.960 -30.795 233 HA LYS 36 HA LYS 36 -5.068 7.157 -31.473 234 HB2 LYS 36 2HB LYS 36 -6.616 8.695 -32.536 235 HB3 LYS 36 3HB LYS 36 -5.282 9.651 -33.169 236 HG2 LYS 36 2HG LYS 36 -5.373 6.782 -33.904 237 HG3 LYS 36 3HG LYS 36 -6.569 7.856 -34.634 238 HD2 LYS 36 2HD LYS 36 -3.785 8.836 -34.627 239 HD3 LYS 36 3HD LYS 36 -4.108 7.437 -35.653 240 HE2 LYS 36 2HE LYS 36 -5.831 9.897 -35.722 241 HE3 LYS 36 3HE LYS 36 -4.368 9.756 -36.696 242 HZ1 LYS 36 1HZ LYS 36 -6.753 8.984 -37.545 243 HZ2 LYS 36 2HZ LYS 36 -6.238 7.533 -36.845 244 HZ3 LYS 36 3HZ LYS 36 -5.317 8.257 -38.065 245 H ARG 37 H ARG 37 -2.821 9.820 -31.877 246 HA ARG 37 HA ARG 37 -1.055 8.229 -33.552 247 HB2 ARG 37 2HB ARG 37 -0.919 11.060 -32.520 248 HB3 ARG 37 3HB ARG 37 0.396 10.310 -33.414 249 HG2 ARG 37 2HG ARG 37 -2.202 10.075 -34.726 250 HG3 ARG 37 3HG ARG 37 -1.651 11.738 -34.509 251 HD2 ARG 37 2HD ARG 37 0.402 9.869 -35.464 252 HD3 ARG 37 3HD ARG 37 -0.941 10.122 -36.578 253 HE ARG 37 HE ARG 37 1.138 11.968 -35.960 254 HH11 ARG 37 1HH1 ARG 37 -2.228 11.738 -36.818 255 HH12 ARG 37 2HH1 ARG 37 -2.283 13.308 -37.550 256 HH21 ARG 37 1HH2 ARG 37 1.078 14.036 -36.920 257 HH22 ARG 37 2HH2 ARG 37 -0.401 14.614 -37.608 258 H GLN 38 H GLN 38 -1.456 9.083 -30.237 259 HA GLN 38 HA GLN 38 1.264 8.482 -29.480 260 HB2 GLN 38 2HB GLN 38 0.106 10.139 -28.184 261 HB3 GLN 38 3HB GLN 38 -1.228 9.038 -27.870 262 HG2 GLN 38 2HG GLN 38 0.249 7.620 -26.543 263 HG3 GLN 38 3HG GLN 38 1.589 8.721 -26.860 264 HE21 GLN 38 1HE2 GLN 38 0.992 11.084 -26.315 265 HE22 GLN 38 2HE2 GLN 38 0.244 11.316 -24.776 266 H GLU 39 H GLU 39 -1.641 6.741 -29.971 267 HA GLU 39 HA GLU 39 -1.443 4.642 -28.174 268 HB2 GLU 39 2HB GLU 39 -2.859 3.408 -29.619 269 HB3 GLU 39 3HB GLU 39 -3.307 5.095 -29.825 270 HG2 GLU 39 2HG GLU 39 -1.765 5.104 -31.840 271 HG3 GLU 39 3HG GLU 39 -1.738 3.348 -31.690 272 H ARG 40 H ARG 40 0.525 5.382 -30.909 273 HA ARG 40 HA ARG 40 1.652 2.724 -31.113 274 HB2 ARG 40 2HB ARG 40 1.425 4.035 -33.142 275 HB3 ARG 40 3HB ARG 40 2.392 5.331 -32.449 276 HG2 ARG 40 2HG ARG 40 3.629 3.943 -34.068 277 HG3 ARG 40 3HG ARG 40 4.354 3.946 -32.460 278 HD2 ARG 40 2HD ARG 40 4.351 1.701 -33.389 279 HD3 ARG 40 3HD ARG 40 3.290 1.791 -31.984 280 HE ARG 40 HE ARG 40 1.761 2.250 -34.283 281 HH11 ARG 40 1HH1 ARG 40 3.541 -0.315 -32.742 282 HH12 ARG 40 2HH1 ARG 40 2.551 -1.574 -33.403 283 HH21 ARG 40 1HH2 ARG 40 0.451 0.601 -35.159 284 HH22 ARG 40 2HH2 ARG 40 0.795 -1.052 -34.778 285 H GLU 41 H GLU 41 2.460 5.811 -29.672 286 HA GLU 41 HA GLU 41 5.118 4.897 -28.918 287 HB2 GLU 41 2HB GLU 41 3.644 7.502 -28.577 288 HB3 GLU 41 3HB GLU 41 5.183 7.194 -27.786 289 HG2 GLU 41 2HG GLU 41 4.742 7.045 -30.758 290 HG3 GLU 41 3HG GLU 41 5.370 8.455 -29.908 291 H LEU 42 H LEU 42 2.040 4.558 -27.737 292 HA LEU 42 HA LEU 42 2.334 4.989 -24.979 293 HB2 LEU 42 2HB LEU 42 0.148 4.725 -25.750 294 HB3 LEU 42 3HB LEU 42 0.539 3.247 -26.626 295 HG LEU 42 HG LEU 42 0.784 2.083 -24.444 296 HD11 LEU 42 1HD1 LEU 42 0.664 3.120 -22.471 297 HD12 LEU 42 2HD1 LEU 42 -0.710 4.107 -22.968 298 HD13 LEU 42 3HD1 LEU 42 0.930 4.604 -23.386 299 HD21 LEU 42 1HD2 LEU 42 -1.477 1.658 -24.228 300 HD22 LEU 42 2HD2 LEU 42 -1.379 2.320 -25.861 301 HD23 LEU 42 3HD2 LEU 42 -1.929 3.337 -24.528 302 H THR 43 H THR 43 3.712 2.645 -27.005 303 HA THR 43 HA THR 43 4.007 0.595 -24.995 304 HB THR 43 HB THR 43 5.871 0.154 -27.073 305 HG1 THR 43 HG1 THR 43 3.321 0.955 -28.070 306 HG21 THR 43 1HG2 THR 43 4.134 -1.330 -25.722 307 HG22 THR 43 2HG2 THR 43 4.754 -1.830 -27.295 308 HG23 THR 43 3HG2 THR 43 3.165 -1.075 -27.172 309 HA PRO 44 HA PRO 44 8.618 1.987 -25.128 310 HB2 PRO 44 2HB PRO 44 9.243 4.172 -26.613 311 HB3 PRO 44 3HB PRO 44 9.237 2.531 -27.272 312 HG2 PRO 44 2HG PRO 44 7.144 4.662 -27.475 313 HG3 PRO 44 3HG PRO 44 7.743 3.559 -28.728 314 HD2 PRO 44 2HD PRO 44 5.415 3.140 -27.409 315 HD3 PRO 44 3HD PRO 44 6.437 1.809 -27.988 316 H LEU 45 H LEU 45 6.421 4.759 -25.520 317 HA LEU 45 HA LEU 45 7.745 6.446 -23.681 318 HB2 LEU 45 2HB LEU 45 5.905 6.922 -25.489 319 HB3 LEU 45 3HB LEU 45 4.804 6.639 -24.143 320 HG LEU 45 HG LEU 45 6.050 8.449 -22.899 321 HD11 LEU 45 1HD1 LEU 45 8.096 8.540 -24.114 322 HD12 LEU 45 2HD1 LEU 45 7.258 10.070 -24.373 323 HD13 LEU 45 3HD1 LEU 45 7.251 8.836 -25.633 324 HD21 LEU 45 1HD2 LEU 45 5.047 9.982 -25.103 325 HD22 LEU 45 2HD2 LEU 45 4.335 9.717 -23.511 326 HD23 LEU 45 3HD2 LEU 45 4.009 8.584 -24.824 327 H PHE 46 H PHE 46 5.634 3.773 -23.267 328 HA PHE 46 HA PHE 46 5.337 4.433 -20.410 329 HB2 PHE 46 2HB PHE 46 3.298 3.998 -22.160 330 HB3 PHE 46 3HB PHE 46 3.553 2.371 -21.538 331 HD1 PHE 46 HD1 PHE 46 3.555 5.800 -20.057 332 HD2 PHE 46 HD2 PHE 46 2.070 1.815 -19.890 333 HE1 PHE 46 HE1 PHE 46 2.258 6.372 -18.046 334 HE2 PHE 46 HE2 PHE 46 0.769 2.380 -17.879 335 HZ PHE 46 HZ PHE 46 0.861 4.661 -16.955 336 H ALA 47 H ALA 47 7.408 2.892 -22.104 337 HA ALA 47 HA ALA 47 7.254 0.278 -20.794 338 HB1 ALA 47 1HB ALA 47 7.984 -0.391 -22.786 339 HB2 ALA 47 2HB ALA 47 8.374 1.258 -23.276 340 HB3 ALA 47 3HB ALA 47 9.545 0.311 -22.357 341 H GLN 48 H GLN 48 8.557 3.289 -20.232 342 HA GLN 48 HA GLN 48 11.137 2.859 -19.340 343 HB2 GLN 48 2HB GLN 48 9.004 4.724 -18.302 344 HB3 GLN 48 3HB GLN 48 10.670 4.765 -17.740 345 HG2 GLN 48 2HG GLN 48 9.676 5.293 -20.527 346 HG3 GLN 48 3HG GLN 48 10.379 6.453 -19.401 347 HE21 GLN 48 1HE2 GLN 48 11.184 5.644 -22.118 348 HE22 GLN 48 2HE2 GLN 48 12.830 5.138 -21.980 349 HA PRO 49 HA PRO 49 10.890 0.315 -15.772 350 HB2 PRO 49 2HB PRO 49 12.980 1.267 -14.324 351 HB3 PRO 49 3HB PRO 49 13.188 0.293 -15.785 352 HG2 PRO 49 2HG PRO 49 13.348 3.264 -15.451 353 HG3 PRO 49 3HG PRO 49 14.402 2.184 -16.383 354 HD2 PRO 49 2HD PRO 49 12.453 3.669 -17.535 355 HD3 PRO 49 3HD PRO 49 12.934 2.077 -18.157 356 H ALA 50 H ALA 50 10.722 3.769 -15.475 357 HA ALA 50 HA ALA 50 9.941 3.672 -12.676 358 HB1 ALA 50 1HB ALA 50 10.964 5.673 -14.460 359 HB2 ALA 50 2HB ALA 50 9.491 6.250 -13.680 360 HB3 ALA 50 3HB ALA 50 10.849 5.697 -12.700 361 H GLN 51 H GLN 51 8.440 3.226 -15.616 362 HA GLN 51 HA GLN 51 5.971 4.567 -15.147 363 HB2 GLN 51 2HB GLN 51 6.603 4.008 -17.405 364 HB3 GLN 51 3HB GLN 51 6.707 2.300 -17.001 365 HG2 GLN 51 2HG GLN 51 4.119 3.708 -16.604 366 HG3 GLN 51 3HG GLN 51 4.619 3.283 -18.240 367 HE21 GLN 51 1HE2 GLN 51 5.784 0.901 -17.993 368 HE22 GLN 51 2HE2 GLN 51 4.680 -0.275 -17.373 369 H ARG 52 H ARG 52 7.359 1.749 -13.877 370 HA ARG 52 HA ARG 52 4.876 0.369 -13.355 371 HB2 ARG 52 2HB ARG 52 6.790 -1.013 -13.699 372 HB3 ARG 52 3HB ARG 52 7.728 -0.122 -12.507 373 HG2 ARG 52 2HG ARG 52 5.338 -1.198 -11.319 374 HG3 ARG 52 3HG ARG 52 6.275 -2.465 -12.113 375 HD2 ARG 52 2HD ARG 52 7.317 -0.496 -10.079 376 HD3 ARG 52 3HD ARG 52 6.940 -2.192 -9.777 377 HE ARG 52 HE ARG 52 9.306 -1.143 -11.000 378 HH11 ARG 52 1HH1 ARG 52 7.182 -3.897 -10.844 379 HH12 ARG 52 2HH1 ARG 52 8.399 -5.028 -11.336 380 HH21 ARG 52 1HH2 ARG 52 10.917 -2.622 -11.648 381 HH22 ARG 52 2HH2 ARG 52 10.523 -4.302 -11.792 382 H ASP 53 H ASP 53 7.211 2.301 -11.536 383 HA ASP 53 HA ASP 53 5.549 2.123 -9.140 384 HB2 ASP 53 2HB ASP 53 8.363 2.741 -9.703 385 HB3 ASP 53 3HB ASP 53 7.630 3.794 -8.496 386 H LEU 54 H LEU 54 5.211 3.788 -11.790 387 HA LEU 54 HA LEU 54 4.586 6.327 -10.431 388 HB2 LEU 54 2HB LEU 54 6.251 6.786 -12.032 389 HB3 LEU 54 3HB LEU 54 5.482 5.760 -13.240 390 HG LEU 54 HG LEU 54 3.711 7.382 -13.542 391 HD11 LEU 54 1HD1 LEU 54 3.866 9.589 -12.404 392 HD12 LEU 54 2HD1 LEU 54 5.110 8.910 -11.356 393 HD13 LEU 54 3HD1 LEU 54 3.475 8.250 -11.325 394 HD21 LEU 54 1HD2 LEU 54 5.145 9.343 -14.300 395 HD22 LEU 54 2HD2 LEU 54 5.527 7.762 -14.981 396 HD23 LEU 54 3HD2 LEU 54 6.523 8.429 -13.686 397 H ARG 55 H ARG 55 2.481 6.480 -10.053 398 HA ARG 55 HA ARG 55 0.500 4.935 -11.317 399 HB2 ARG 55 2HB ARG 55 0.357 7.435 -9.639 400 HB3 ARG 55 3HB ARG 55 -1.081 6.626 -10.249 401 HG2 ARG 55 2HG ARG 55 -0.999 5.554 -8.282 402 HG3 ARG 55 3HG ARG 55 0.194 4.545 -9.103 403 HD2 ARG 55 2HD ARG 55 1.981 6.007 -8.231 404 HD3 ARG 55 3HD ARG 55 0.765 6.938 -7.358 405 HE ARG 55 HE ARG 55 0.694 5.289 -5.774 406 HH11 ARG 55 1HH1 ARG 55 2.243 4.051 -8.636 407 HH12 ARG 55 2HH1 ARG 55 2.717 2.560 -7.892 408 HH21 ARG 55 1HH2 ARG 55 1.313 3.330 -4.784 409 HH22 ARG 55 2HH2 ARG 55 2.187 2.150 -5.701 410 H VAL 56 H VAL 56 -1.210 5.594 -12.718 411 HA VAL 56 HA VAL 56 -0.849 8.073 -14.209 412 HB VAL 56 HB VAL 56 -0.388 5.362 -15.332 413 HG11 VAL 56 1HG1 VAL 56 -2.345 5.831 -16.556 414 HG12 VAL 56 2HG1 VAL 56 -1.912 7.531 -16.750 415 HG13 VAL 56 3HG1 VAL 56 -1.010 6.286 -17.614 416 HG21 VAL 56 1HG2 VAL 56 1.074 7.698 -15.042 417 HG22 VAL 56 2HG2 VAL 56 1.518 6.296 -16.016 418 HG23 VAL 56 3HG2 VAL 56 0.669 7.652 -16.758 419 H PHE 57 H PHE 57 -2.777 8.999 -14.268 420 HA PHE 57 HA PHE 57 -5.171 7.293 -14.292 421 HB2 PHE 57 2HB PHE 57 -4.949 10.214 -13.539 422 HB3 PHE 57 3HB PHE 57 -6.379 9.200 -13.380 423 HD1 PHE 57 HD1 PHE 57 -4.773 6.736 -12.398 424 HD2 PHE 57 HD2 PHE 57 -4.871 10.827 -11.226 425 HE1 PHE 57 HE1 PHE 57 -4.068 6.099 -10.128 426 HE2 PHE 57 HE2 PHE 57 -4.165 10.196 -8.955 427 HZ PHE 57 HZ PHE 57 -3.762 7.830 -8.403 428 H LYS 58 H LYS 58 -6.430 7.241 -16.034 429 HA LYS 58 HA LYS 58 -5.862 9.112 -18.217 430 HB2 LYS 58 2HB LYS 58 -7.208 7.468 -19.582 431 HB3 LYS 58 3HB LYS 58 -5.701 6.847 -18.921 432 HG2 LYS 58 2HG LYS 58 -7.990 6.421 -17.168 433 HG3 LYS 58 3HG LYS 58 -8.148 5.636 -18.741 434 HD2 LYS 58 2HD LYS 58 -5.502 5.334 -17.533 435 HD3 LYS 58 3HD LYS 58 -6.803 4.616 -16.581 436 HE2 LYS 58 2HE LYS 58 -6.141 2.893 -18.004 437 HE3 LYS 58 3HE LYS 58 -7.566 3.563 -18.796 438 HZ1 LYS 58 1HZ LYS 58 -4.988 4.694 -19.549 439 HZ2 LYS 58 2HZ LYS 58 -6.351 4.379 -20.499 440 HZ3 LYS 58 3HZ LYS 58 -5.306 3.118 -20.075 441 H VAL 59 H VAL 59 -7.086 10.887 -18.132 442 HA VAL 59 HA VAL 59 -9.897 10.646 -17.318 443 HB VAL 59 HB VAL 59 -8.757 12.319 -16.056 444 HG11 VAL 59 1HG1 VAL 59 -6.826 12.857 -17.215 445 HG12 VAL 59 2HG1 VAL 59 -7.694 13.180 -18.717 446 HG13 VAL 59 3HG1 VAL 59 -7.786 14.327 -17.380 447 HG21 VAL 59 1HG2 VAL 59 -11.033 12.871 -16.811 448 HG22 VAL 59 2HG2 VAL 59 -10.039 14.311 -16.587 449 HG23 VAL 59 3HG2 VAL 59 -10.354 13.701 -18.211 450 H ASN 60 H ASN 60 -11.567 11.291 -18.625 451 HA ASN 60 HA ASN 60 -10.860 11.788 -21.437 452 HB2 ASN 60 2HB ASN 60 -12.263 9.728 -20.682 453 HB3 ASN 60 3HB ASN 60 -13.578 10.889 -20.527 454 HD21 ASN 60 1HD2 ASN 60 -13.979 8.927 -22.240 455 HD22 ASN 60 2HD2 ASN 60 -13.833 9.462 -23.876 456 H PHE 61 H PHE 61 -12.110 13.298 -22.652 457 HA PHE 61 HA PHE 61 -12.616 15.717 -21.284 458 HB2 PHE 61 2HB PHE 61 -13.102 16.647 -23.389 459 HB3 PHE 61 3HB PHE 61 -11.938 15.374 -23.739 460 HD1 PHE 61 HD1 PHE 61 -12.731 13.216 -24.690 461 HD2 PHE 61 HD2 PHE 61 -15.283 16.598 -24.282 462 HE1 PHE 61 HE1 PHE 61 -14.303 12.220 -26.300 463 HE2 PHE 61 HE2 PHE 61 -16.859 15.607 -25.891 464 HZ PHE 61 HZ PHE 61 -16.371 13.415 -26.901 465 H ASP 62 H ASP 62 -14.488 12.956 -21.606 466 HA ASP 62 HA ASP 62 -17.061 14.287 -21.596 467 HB2 ASP 62 2HB ASP 62 -16.406 11.364 -21.171 468 HB3 ASP 62 3HB ASP 62 -18.003 12.041 -21.479 469 H THR 63 H THR 63 -14.714 13.431 -19.319 470 HA THR 63 HA THR 63 -16.687 13.506 -17.131 471 HB THR 63 HB THR 63 -13.853 12.483 -16.927 472 HG1 THR 63 HG1 THR 63 -15.176 11.217 -18.388 473 HG21 THR 63 1HG2 THR 63 -15.547 13.217 -14.943 474 HG22 THR 63 2HG2 THR 63 -14.317 11.964 -14.777 475 HG23 THR 63 3HG2 THR 63 -15.985 11.520 -15.136 476 H GLN 64 H GLN 64 -13.736 14.892 -18.403 477 HA GLN 64 HA GLN 64 -13.478 16.682 -16.115 478 HB2 GLN 64 2HB GLN 64 -11.388 17.396 -17.135 479 HB3 GLN 64 3HB GLN 64 -11.450 15.640 -17.048 480 HG2 GLN 64 2HG GLN 64 -11.354 15.406 -19.265 481 HG3 GLN 64 3HG GLN 64 -12.477 16.733 -19.552 482 HE21 GLN 64 1HE2 GLN 64 -9.132 15.929 -18.861 483 HE22 GLN 64 2HE2 GLN 64 -8.452 17.372 -19.522 484 H LYS 65 H LYS 65 -15.676 16.766 -18.202 485 HA LYS 65 HA LYS 65 -15.499 18.866 -19.951 486 HB2 LYS 65 2HB LYS 65 -17.475 17.333 -19.563 487 HB3 LYS 65 3HB LYS 65 -17.915 18.368 -18.211 488 HG2 LYS 65 2HG LYS 65 -18.905 19.817 -19.560 489 HG3 LYS 65 3HG LYS 65 -17.464 19.944 -20.571 490 HD2 LYS 65 2HD LYS 65 -18.146 18.189 -21.962 491 HD3 LYS 65 3HD LYS 65 -19.323 17.597 -20.788 492 HE2 LYS 65 2HE LYS 65 -19.957 20.298 -21.447 493 HE3 LYS 65 3HE LYS 65 -19.730 19.390 -22.941 494 HZ1 LYS 65 1HZ LYS 65 -21.728 18.518 -22.653 495 HZ2 LYS 65 2HZ LYS 65 -21.924 19.350 -21.194 496 HZ3 LYS 65 3HZ LYS 65 -21.230 17.807 -21.201 497 H ALA 66 H ALA 66 -16.210 19.026 -16.481 498 HA ALA 66 HA ALA 66 -16.668 21.795 -16.338 499 HB1 ALA 66 1HB ALA 66 -17.368 20.490 -14.506 500 HB2 ALA 66 2HB ALA 66 -15.763 19.790 -14.289 501 HB3 ALA 66 3HB ALA 66 -16.045 21.486 -13.899 502 H ALA 67 H ALA 67 -13.748 19.947 -16.571 503 HA ALA 67 HA ALA 67 -12.033 22.089 -15.663 504 HB1 ALA 67 1HB ALA 67 -11.764 19.297 -16.089 505 HB2 ALA 67 2HB ALA 67 -10.556 20.120 -17.076 506 HB3 ALA 67 3HB ALA 67 -10.622 20.411 -15.338 507 H LEU 68 H LEU 68 -12.698 20.472 -18.764 508 HA LEU 68 HA LEU 68 -11.052 22.228 -20.283 509 HB2 LEU 68 2HB LEU 68 -12.366 21.243 -22.225 510 HB3 LEU 68 3HB LEU 68 -11.413 20.133 -21.242 511 HG LEU 68 HG LEU 68 -13.751 19.845 -20.003 512 HD11 LEU 68 1HD1 LEU 68 -14.493 20.590 -22.828 513 HD12 LEU 68 2HD1 LEU 68 -14.946 21.455 -21.360 514 HD13 LEU 68 3HD1 LEU 68 -15.570 19.833 -21.654 515 HD21 LEU 68 1HD2 LEU 68 -13.730 18.327 -22.500 516 HD22 LEU 68 2HD2 LEU 68 -13.637 17.768 -20.829 517 HD23 LEU 68 3HD2 LEU 68 -12.182 18.331 -21.654 518 H GLN 69 H GLN 69 -14.308 22.360 -19.135 519 HA GLN 69 HA GLN 69 -15.116 24.425 -20.997 520 HB2 GLN 69 2HB GLN 69 -16.735 22.748 -20.178 521 HB3 GLN 69 3HB GLN 69 -16.527 23.363 -18.544 522 HG2 GLN 69 2HG GLN 69 -18.526 24.297 -19.369 523 HG3 GLN 69 3HG GLN 69 -17.324 25.587 -19.388 524 HE21 GLN 69 1HE2 GLN 69 -18.064 26.831 -21.001 525 HE22 GLN 69 2HE2 GLN 69 -18.271 26.307 -22.633 526 H GLN 70 H GLN 70 -13.799 24.182 -17.798 527 HA GLN 70 HA GLN 70 -14.390 26.963 -17.178 528 HB2 GLN 70 2HB GLN 70 -14.584 25.307 -15.390 529 HB3 GLN 70 3HB GLN 70 -12.898 24.856 -15.605 530 HG2 GLN 70 2HG GLN 70 -12.148 26.598 -14.420 531 HG3 GLN 70 3HG GLN 70 -13.335 27.707 -15.105 532 HE21 GLN 70 1HE2 GLN 70 -13.589 28.574 -12.991 533 HE22 GLN 70 2HE2 GLN 70 -14.570 27.765 -11.822 534 H PHE 71 H PHE 71 -11.670 24.924 -18.062 535 HA PHE 71 HA PHE 71 -9.874 27.239 -17.956 536 HB2 PHE 71 2HB PHE 71 -9.427 24.748 -17.053 537 HB3 PHE 71 3HB PHE 71 -8.837 24.559 -18.700 538 HD1 PHE 71 HD1 PHE 71 -6.736 25.375 -19.330 539 HD2 PHE 71 HD2 PHE 71 -8.440 26.564 -15.615 540 HE1 PHE 71 HE1 PHE 71 -4.598 26.406 -18.683 541 HE2 PHE 71 HE2 PHE 71 -6.305 27.598 -14.963 542 HZ PHE 71 HZ PHE 71 -4.380 27.521 -16.498 543 H ARG 72 H ARG 72 -11.887 25.780 -20.104 544 HA ARG 72 HA ARG 72 -12.146 25.888 -22.361 545 HB2 ARG 72 2HB ARG 72 -11.149 28.281 -21.725 546 HB3 ARG 72 3HB ARG 72 -9.809 27.698 -22.703 547 HG2 ARG 72 2HG ARG 72 -11.652 27.140 -24.440 548 HG3 ARG 72 3HG ARG 72 -12.622 28.282 -23.508 549 HD2 ARG 72 2HD ARG 72 -9.933 29.249 -24.107 550 HD3 ARG 72 3HD ARG 72 -10.900 28.927 -25.546 551 HE ARG 72 HE ARG 72 -11.217 31.092 -23.744 552 HH11 ARG 72 1HH1 ARG 72 -13.018 28.873 -25.732 553 HH12 ARG 72 2HH1 ARG 72 -14.355 29.952 -25.954 554 HH21 ARG 72 1HH2 ARG 72 -12.971 32.522 -24.028 555 HH22 ARG 72 2HH2 ARG 72 -14.327 32.028 -24.985 556 H VAL 73 H VAL 73 -10.845 23.697 -21.576 557 HA VAL 73 HA VAL 73 -8.394 23.429 -23.139 558 HB VAL 73 HB VAL 73 -9.748 21.312 -21.467 559 HG11 VAL 73 1HG1 VAL 73 -7.762 21.027 -23.288 560 HG12 VAL 73 2HG1 VAL 73 -6.831 21.336 -21.821 561 HG13 VAL 73 3HG1 VAL 73 -7.973 19.993 -21.875 562 HG21 VAL 73 1HG2 VAL 73 -7.485 22.273 -20.126 563 HG22 VAL 73 2HG2 VAL 73 -8.386 23.702 -20.630 564 HG23 VAL 73 3HG2 VAL 73 -9.173 22.463 -19.653 565 H SER 74 H SER 74 -8.974 23.358 -25.266 566 HA SER 74 HA SER 74 -11.090 21.538 -26.114 567 HB2 SER 74 2HB SER 74 -9.525 22.989 -28.160 568 HB3 SER 74 3HB SER 74 -11.271 22.805 -27.994 569 HG SER 74 HG SER 74 -10.875 24.287 -26.067 570 H GLN 75 H GLN 75 -8.727 20.384 -25.000 571 HA GLN 75 HA GLN 75 -8.128 18.496 -27.060 572 HB2 GLN 75 2HB GLN 75 -6.370 20.740 -26.739 573 HB3 GLN 75 3HB GLN 75 -5.529 19.271 -26.262 574 HG2 GLN 75 2HG GLN 75 -5.382 18.529 -28.360 575 HG3 GLN 75 3HG GLN 75 -7.035 19.006 -28.746 576 HE21 GLN 75 1HE2 GLN 75 -6.040 19.609 -30.802 577 HE22 GLN 75 2HE2 GLN 75 -5.320 21.172 -30.950 578 H GLN 76 H GLN 76 -7.237 16.596 -26.260 579 HA GLN 76 HA GLN 76 -6.955 16.496 -23.329 580 HB2 GLN 76 2HB GLN 76 -8.004 14.412 -25.246 581 HB3 GLN 76 3HB GLN 76 -7.657 14.094 -23.551 582 HG2 GLN 76 2HG GLN 76 -9.993 14.470 -23.767 583 HG3 GLN 76 3HG GLN 76 -9.291 15.865 -22.948 584 HE21 GLN 76 1HE2 GLN 76 -9.460 14.968 -26.371 585 HE22 GLN 76 2HE2 GLN 76 -10.272 16.403 -26.886 586 H SER 77 H SER 77 -4.683 17.034 -23.701 587 HA SER 77 HA SER 77 -3.113 14.607 -24.070 588 HB2 SER 77 2HB SER 77 -1.451 15.976 -25.472 589 HB3 SER 77 3HB SER 77 -2.926 15.437 -26.274 590 HG SER 77 HG SER 77 -3.677 17.454 -26.296 591 H THR 78 H THR 78 -3.916 16.758 -22.005 592 HA THR 78 HA THR 78 -1.561 18.109 -21.225 593 HB THR 78 HB THR 78 -4.194 18.138 -20.387 594 HG1 THR 78 HG1 THR 78 -2.183 19.310 -18.798 595 HG21 THR 78 1HG2 THR 78 -4.244 17.633 -18.053 596 HG22 THR 78 2HG2 THR 78 -2.514 17.288 -18.031 597 HG23 THR 78 3HG2 THR 78 -3.618 16.208 -18.881 598 H LEU 79 H LEU 79 -0.175 17.694 -19.434 599 HA LEU 79 HA LEU 79 -0.201 15.049 -18.243 600 HB2 LEU 79 2HB LEU 79 1.042 14.442 -20.116 601 HB3 LEU 79 3HB LEU 79 1.890 15.986 -20.169 602 HG LEU 79 HG LEU 79 2.369 14.201 -17.837 603 HD11 LEU 79 1HD1 LEU 79 2.491 12.659 -19.709 604 HD12 LEU 79 2HD1 LEU 79 4.102 12.990 -19.073 605 HD13 LEU 79 3HD1 LEU 79 3.568 13.760 -20.567 606 HD21 LEU 79 1HD2 LEU 79 3.560 16.155 -17.630 607 HD22 LEU 79 2HD2 LEU 79 3.813 16.315 -19.369 608 HD23 LEU 79 3HD2 LEU 79 4.738 15.128 -18.448 609 H ILE 80 H ILE 80 0.648 15.043 -16.233 610 HA ILE 80 HA ILE 80 2.594 16.975 -15.378 611 HB ILE 80 HB ILE 80 0.935 17.640 -13.427 612 HG12 ILE 80 2HG1 ILE 80 -0.911 17.200 -15.785 613 HG13 ILE 80 3HG1 ILE 80 -0.930 16.281 -14.283 614 HG21 ILE 80 1HG2 ILE 80 0.730 19.734 -14.417 615 HG22 ILE 80 2HG2 ILE 80 2.143 19.045 -15.215 616 HG23 ILE 80 3HG2 ILE 80 0.585 19.060 -16.040 617 HD11 ILE 80 1HD1 ILE 80 -1.309 18.584 -13.171 618 HD12 ILE 80 2HD1 ILE 80 -1.788 19.092 -14.791 619 HD13 ILE 80 3HD1 ILE 80 -2.651 17.781 -13.987 620 H LEU 81 H LEU 81 3.905 15.727 -14.229 621 HA LEU 81 HA LEU 81 2.735 13.657 -12.496 622 HB2 LEU 81 2HB LEU 81 4.142 12.550 -13.961 623 HB3 LEU 81 3HB LEU 81 5.317 13.863 -13.983 624 HG LEU 81 HG LEU 81 6.163 13.224 -11.831 625 HD11 LEU 81 1HD1 LEU 81 3.690 11.599 -11.742 626 HD12 LEU 81 2HD1 LEU 81 4.513 12.489 -10.462 627 HD13 LEU 81 3HD1 LEU 81 5.130 10.922 -10.982 628 HD21 LEU 81 1HD2 LEU 81 6.291 11.616 -14.125 629 HD22 LEU 81 2HD2 LEU 81 6.122 10.510 -12.762 630 HD23 LEU 81 3HD2 LEU 81 7.440 11.682 -12.789 631 H TYR 82 H TYR 82 2.674 14.152 -10.415 632 HA TYR 82 HA TYR 82 4.478 16.182 -9.350 633 HB2 TYR 82 2HB TYR 82 1.823 15.152 -8.655 634 HB3 TYR 82 3HB TYR 82 2.865 15.407 -7.260 635 HD1 TYR 82 HD1 TYR 82 3.037 17.530 -6.331 636 HD2 TYR 82 HD2 TYR 82 1.642 17.133 -10.331 637 HE1 TYR 82 HE1 TYR 82 2.531 19.936 -6.386 638 HE2 TYR 82 HE2 TYR 82 1.133 19.538 -10.398 639 HH TYR 82 HH TYR 82 1.985 21.673 -7.720 640 H ARG 83 H ARG 83 6.204 15.724 -8.153 641 HA ARG 83 HA ARG 83 6.506 12.971 -7.150 642 HB2 ARG 83 2HB ARG 83 8.138 13.608 -8.884 643 HB3 ARG 83 3HB ARG 83 8.658 14.961 -7.889 644 HG2 ARG 83 2HG ARG 83 10.216 13.115 -7.716 645 HG3 ARG 83 3HG ARG 83 9.420 13.402 -6.167 646 HD2 ARG 83 2HD ARG 83 7.981 11.527 -6.473 647 HD3 ARG 83 3HD ARG 83 8.499 11.330 -8.147 648 HE ARG 83 HE ARG 83 10.794 11.040 -6.736 649 HH11 ARG 83 1HH1 ARG 83 7.651 9.555 -6.553 650 HH12 ARG 83 2HH1 ARG 83 8.255 8.046 -5.953 651 HH21 ARG 83 1HH2 ARG 83 11.602 9.058 -5.947 652 HH22 ARG 83 2HH2 ARG 83 10.503 7.765 -5.608 653 H ASN 84 H ASN 84 5.785 13.089 -5.085 654 HA ASN 84 HA ASN 84 5.838 13.516 -2.850 655 HB2 ASN 84 2HB ASN 84 8.439 13.604 -3.548 656 HB3 ASN 84 3HB ASN 84 8.233 15.261 -2.989 657 HD21 ASN 84 1HD2 ASN 84 6.470 14.975 -0.943 658 HD22 ASN 84 2HD2 ASN 84 7.178 14.033 0.320 659 H GLY 85 H GLY 85 4.392 15.228 -4.620 660 HA2 GLY 85 2HA GLY 85 3.039 17.079 -4.275 661 HA3 GLY 85 3HA GLY 85 3.963 17.442 -2.824 662 H GLN 86 H GLN 86 5.465 16.975 -5.947 663 HA GLN 86 HA GLN 86 5.812 19.870 -6.244 664 HB2 GLN 86 2HB GLN 86 7.782 18.583 -5.072 665 HB3 GLN 86 3HB GLN 86 8.162 18.079 -6.714 666 HG2 GLN 86 2HG GLN 86 9.468 19.959 -6.437 667 HG3 GLN 86 3HG GLN 86 8.050 20.590 -7.274 668 HE21 GLN 86 1HE2 GLN 86 8.957 22.611 -6.344 669 HE22 GLN 86 2HE2 GLN 86 8.437 23.068 -4.761 670 H GLU 87 H GLU 87 5.674 20.571 -8.296 671 HA GLU 87 HA GLU 87 4.887 18.737 -10.337 672 HB2 GLU 87 2HB GLU 87 4.853 20.776 -11.787 673 HB3 GLU 87 3HB GLU 87 3.883 20.910 -10.327 674 HG2 GLU 87 2HG GLU 87 4.991 22.714 -9.699 675 HG3 GLU 87 3HG GLU 87 6.527 21.855 -9.799 676 H VAL 88 H VAL 88 6.302 17.455 -11.321 677 HA VAL 88 HA VAL 88 9.085 18.116 -11.551 678 HB VAL 88 HB VAL 88 7.525 15.833 -12.771 679 HG11 VAL 88 1HG1 VAL 88 9.597 16.307 -13.988 680 HG12 VAL 88 2HG1 VAL 88 10.506 16.198 -12.479 681 HG13 VAL 88 3HG1 VAL 88 9.689 14.773 -13.123 682 HG21 VAL 88 1HG2 VAL 88 9.326 15.810 -10.356 683 HG22 VAL 88 2HG2 VAL 88 7.571 15.952 -10.268 684 HG23 VAL 88 3HG2 VAL 88 8.305 14.501 -10.950 685 H ARG 89 H ARG 89 6.737 17.204 -14.078 686 HA ARG 89 HA ARG 89 7.643 19.415 -15.738 687 HB2 ARG 89 2HB ARG 89 8.565 16.716 -16.105 688 HB3 ARG 89 3HB ARG 89 7.588 17.198 -17.485 689 HG2 ARG 89 2HG ARG 89 9.525 18.025 -18.249 690 HG3 ARG 89 3HG ARG 89 9.140 19.387 -17.195 691 HD2 ARG 89 2HD ARG 89 10.543 18.553 -15.467 692 HD3 ARG 89 3HD ARG 89 10.741 17.006 -16.289 693 HE ARG 89 HE ARG 89 11.704 18.953 -18.007 694 HH11 ARG 89 1HH1 ARG 89 12.446 17.715 -14.839 695 HH12 ARG 89 2HH1 ARG 89 14.137 18.075 -14.952 696 HH21 ARG 89 1HH2 ARG 89 13.929 19.432 -18.168 697 HH22 ARG 89 2HH2 ARG 89 14.979 19.052 -16.845 698 H ARG 90 H ARG 90 6.355 19.501 -17.816 699 HA ARG 90 HA ARG 90 3.835 18.114 -17.861 700 HB2 ARG 90 2HB ARG 90 2.413 19.728 -17.144 701 HB3 ARG 90 3HB ARG 90 3.819 20.256 -16.230 702 HG2 ARG 90 2HG ARG 90 3.000 21.333 -18.920 703 HG3 ARG 90 3HG ARG 90 2.672 22.105 -17.367 704 HD2 ARG 90 2HD ARG 90 5.482 21.367 -17.941 705 HD3 ARG 90 3HD ARG 90 4.801 22.702 -18.869 706 HE ARG 90 HE ARG 90 4.294 22.981 -16.078 707 HH11 ARG 90 1HH1 ARG 90 6.725 23.397 -18.535 708 HH12 ARG 90 2HH1 ARG 90 7.572 24.638 -17.671 709 HH21 ARG 90 1HH2 ARG 90 5.400 24.613 -14.931 710 HH22 ARG 90 2HH2 ARG 90 6.817 25.328 -15.621 711 H SER 91 H SER 91 2.706 18.387 -19.813 712 HA SER 91 HA SER 91 3.553 20.263 -21.800 713 HB2 SER 91 2HB SER 91 5.140 19.076 -22.840 714 HB3 SER 91 3HB SER 91 4.964 17.787 -21.650 715 HG SER 91 HG SER 91 3.820 18.041 -24.191 716 H ILE 92 H ILE 92 2.096 20.436 -23.469 717 HA ILE 92 HA ILE 92 -0.116 18.495 -23.515 718 HB ILE 92 HB ILE 92 -0.717 20.627 -22.299 719 HG12 ILE 92 2HG1 ILE 92 -2.245 19.944 -24.820 720 HG13 ILE 92 3HG1 ILE 92 -2.421 19.157 -23.255 721 HG21 ILE 92 1HG2 ILE 92 0.602 22.083 -23.868 722 HG22 ILE 92 2HG2 ILE 92 -0.690 21.855 -25.045 723 HG23 ILE 92 3HG2 ILE 92 -1.029 22.647 -23.507 724 HD11 ILE 92 1HD1 ILE 92 -4.156 20.568 -23.067 725 HD12 ILE 92 2HD1 ILE 92 -2.906 21.701 -22.552 726 HD13 ILE 92 3HD1 ILE 92 -3.483 21.723 -24.218 727 H GLY 93 H GLY 93 -1.070 18.117 -25.512 728 HA2 GLY 93 2HA GLY 93 -1.411 18.432 -27.819 729 HA3 GLY 93 3HA GLY 93 -0.101 19.603 -27.831 730 H GLU 94 H GLU 94 -0.820 16.147 -27.627 731 HA GLU 94 HA GLU 94 0.310 14.316 -28.365 732 HB2 GLU 94 2HB GLU 94 1.016 14.550 -30.473 733 HB3 GLU 94 3HB GLU 94 0.730 16.276 -30.295 734 HG2 GLU 94 2HG GLU 94 3.079 16.464 -29.420 735 HG3 GLU 94 3HG GLU 94 3.313 14.791 -29.921 736 H THR 95 H THR 95 2.440 13.216 -28.304 737 HA THR 95 HA THR 95 3.734 13.539 -25.898 738 HB THR 95 HB THR 95 5.567 12.157 -26.818 739 HG1 THR 95 HG1 THR 95 5.686 12.972 -28.921 740 HG21 THR 95 1HG2 THR 95 4.311 10.223 -26.992 741 HG22 THR 95 2HG2 THR 95 3.042 11.007 -27.932 742 HG23 THR 95 3HG2 THR 95 3.171 11.310 -26.200 743 H SER 96 H SER 96 6.130 13.996 -25.612 744 HA SER 96 HA SER 96 7.557 15.710 -27.292 745 HB2 SER 96 2HB SER 96 6.849 17.800 -26.856 746 HB3 SER 96 3HB SER 96 5.419 17.059 -26.138 747 HG SER 96 HG SER 96 6.695 18.592 -24.802 748 HA PRO 97 HA PRO 97 10.739 14.957 -24.369 749 HB2 PRO 97 2HB PRO 97 12.199 17.245 -24.418 750 HB3 PRO 97 3HB PRO 97 12.181 16.088 -25.754 751 HG2 PRO 97 2HG PRO 97 10.669 18.654 -25.450 752 HG3 PRO 97 3HG PRO 97 11.508 18.011 -26.874 753 HD2 PRO 97 2HD PRO 97 8.824 17.840 -26.564 754 HD3 PRO 97 3HD PRO 97 9.767 16.603 -27.421 755 H SER 98 H SER 98 8.630 17.636 -23.853 756 HA SER 98 HA SER 98 9.638 18.148 -21.169 757 HB2 SER 98 2HB SER 98 8.543 19.813 -23.019 758 HB3 SER 98 3HB SER 98 7.130 19.451 -22.029 759 HG SER 98 HG SER 98 9.010 21.178 -21.498 760 H ALA 99 H ALA 99 7.246 16.275 -22.736 761 HA ALA 99 HA ALA 99 5.529 16.048 -20.410 762 HB1 ALA 99 1HB ALA 99 4.019 15.539 -21.951 763 HB2 ALA 99 2HB ALA 99 5.266 15.544 -23.199 764 HB3 ALA 99 3HB ALA 99 4.903 14.058 -22.321 765 H LEU 100 H LEU 100 7.939 14.118 -22.116 766 HA LEU 100 HA LEU 100 7.588 11.870 -20.319 767 HB2 LEU 100 2HB LEU 100 8.056 11.332 -22.589 768 HB3 LEU 100 3HB LEU 100 9.454 12.404 -22.618 769 HG LEU 100 HG LEU 100 10.597 10.874 -21.031 770 HD11 LEU 100 1HD1 LEU 100 8.306 9.000 -21.588 771 HD12 LEU 100 2HD1 LEU 100 8.504 9.906 -20.088 772 HD13 LEU 100 3HD1 LEU 100 9.708 8.707 -20.559 773 HD21 LEU 100 1HD2 LEU 100 10.074 10.513 -23.794 774 HD22 LEU 100 2HD2 LEU 100 10.132 8.919 -23.041 775 HD23 LEU 100 3HD2 LEU 100 11.496 10.026 -22.871 776 H SER 101 H SER 101 9.525 14.695 -20.549 777 HA SER 101 HA SER 101 11.850 13.923 -19.222 778 HB2 SER 101 2HB SER 101 10.491 16.440 -19.841 779 HB3 SER 101 3HB SER 101 11.425 16.509 -18.346 780 HG SER 101 HG SER 101 12.346 16.713 -20.778 781 H ASP 102 H ASP 102 8.657 14.184 -18.055 782 HA ASP 102 HA ASP 102 9.314 14.674 -15.303 783 HB2 ASP 102 2HB ASP 102 6.990 14.399 -14.858 784 HB3 ASP 102 3HB ASP 102 7.103 15.232 -16.406 785 H PHE 103 H PHE 103 9.190 11.921 -17.356 786 HA PHE 103 HA PHE 103 8.735 9.943 -15.362 787 HB2 PHE 103 2HB PHE 103 8.586 8.625 -17.161 788 HB3 PHE 103 3HB PHE 103 9.034 9.998 -18.167 789 HD1 PHE 103 HD1 PHE 103 11.168 10.138 -19.177 790 HD2 PHE 103 HD2 PHE 103 10.334 7.066 -16.352 791 HE1 PHE 103 HE1 PHE 103 13.252 8.995 -19.810 792 HE2 PHE 103 HE2 PHE 103 12.417 5.918 -16.979 793 HZ PHE 103 HZ PHE 103 13.880 6.883 -18.710 794 H LEU 104 H LEU 104 11.504 11.733 -16.390 795 HA LEU 104 HA LEU 104 13.481 9.930 -15.385 796 HB2 LEU 104 2HB LEU 104 15.039 11.485 -16.037 797 HB3 LEU 104 3HB LEU 104 13.696 11.852 -17.118 798 HG LEU 104 HG LEU 104 13.120 13.593 -15.197 799 HD11 LEU 104 1HD1 LEU 104 15.686 14.455 -14.799 800 HD12 LEU 104 2HD1 LEU 104 15.837 12.709 -14.611 801 HD13 LEU 104 3HD1 LEU 104 14.694 13.607 -13.613 802 HD21 LEU 104 1HD2 LEU 104 13.771 13.869 -17.691 803 HD22 LEU 104 2HD2 LEU 104 15.358 14.300 -17.053 804 HD23 LEU 104 3HD2 LEU 104 13.938 15.244 -16.598 805 H THR 105 H THR 105 11.242 11.863 -13.862 806 HA THR 105 HA THR 105 12.879 11.961 -11.413 807 HB THR 105 HB THR 105 10.640 13.882 -11.622 808 HG1 THR 105 HG1 THR 105 11.751 13.944 -13.719 809 HG21 THR 105 1HG2 THR 105 12.589 15.339 -10.693 810 HG22 THR 105 2HG2 THR 105 13.402 13.790 -10.469 811 HG23 THR 105 3HG2 THR 105 11.864 14.104 -9.665 812 H ARG 106 H ARG 106 10.290 10.550 -12.883 813 HA ARG 106 HA ARG 106 8.425 9.437 -12.186 814 HB2 ARG 106 2HB ARG 106 10.599 8.767 -10.496 815 HB3 ARG 106 3HB ARG 106 9.172 8.887 -9.475 816 HG2 ARG 106 2HG ARG 106 8.057 7.190 -10.630 817 HG3 ARG 106 3HG ARG 106 9.149 7.295 -12.013 818 HD2 ARG 106 2HD ARG 106 9.728 5.327 -10.814 819 HD3 ARG 106 3HD ARG 106 10.989 6.518 -10.495 820 HE ARG 106 HE ARG 106 8.898 6.494 -8.524 821 HH11 ARG 106 1HH1 ARG 106 11.915 5.067 -9.515 822 HH12 ARG 106 2HH1 ARG 106 12.341 4.544 -7.919 823 HH21 ARG 106 1HH2 ARG 106 9.448 5.811 -6.419 824 HH22 ARG 106 2HH2 ARG 106 10.937 4.967 -6.159 Start of MODEL 2 1 H GLN 1 H GLN 1 1.807 0.000 0.855 2 HA GLN 1 HA GLN 1 2.362 1.022 -1.465 3 HB2 GLN 1 2HB GLN 1 3.249 -1.492 -0.240 4 HB3 GLN 1 3HB GLN 1 3.519 -1.413 -1.976 5 HG2 GLN 1 2HG GLN 1 4.479 0.974 -1.328 6 HG3 GLN 1 3HG GLN 1 4.744 0.158 0.212 7 HE21 GLN 1 1HE2 GLN 1 6.900 -0.071 0.194 8 HE22 GLN 1 2HE2 GLN 1 7.785 -0.951 -1.001 9 H ALA 2 H ALA 2 0.884 1.303 -3.048 10 HA ALA 2 HA ALA 2 0.418 -0.844 -4.870 11 HB1 ALA 2 1HB ALA 2 -1.298 -1.173 -2.993 12 HB2 ALA 2 2HB ALA 2 -2.093 0.256 -3.655 13 HB3 ALA 2 3HB ALA 2 -1.881 -1.179 -4.658 14 H ALA 3 H ALA 3 -0.856 -0.135 -6.768 15 HA ALA 3 HA ALA 3 -0.060 2.471 -7.583 16 HB1 ALA 3 1HB ALA 3 -0.595 0.216 -8.926 17 HB2 ALA 3 2HB ALA 3 -2.125 1.063 -9.157 18 HB3 ALA 3 3HB ALA 3 -0.615 1.813 -9.674 19 H SER 4 H SER 4 -2.069 3.554 -9.017 20 HA SER 4 HA SER 4 -4.468 3.807 -7.437 21 HB2 SER 4 2HB SER 4 -2.512 6.107 -7.639 22 HB3 SER 4 3HB SER 4 -4.184 6.275 -7.107 23 HG SER 4 HG SER 4 -2.124 5.672 -5.626 24 H VAL 5 H VAL 5 -4.662 2.891 -9.808 25 HA VAL 5 HA VAL 5 -4.811 4.947 -11.841 26 HB VAL 5 HB VAL 5 -5.689 3.106 -13.284 27 HG11 VAL 5 1HG1 VAL 5 -3.493 3.129 -13.719 28 HG12 VAL 5 2HG1 VAL 5 -3.061 3.237 -12.012 29 HG13 VAL 5 3HG1 VAL 5 -3.429 1.669 -12.732 30 HG21 VAL 5 1HG2 VAL 5 -6.494 1.243 -12.384 31 HG22 VAL 5 2HG2 VAL 5 -4.921 0.893 -11.666 32 HG23 VAL 5 3HG2 VAL 5 -6.102 1.853 -10.776 33 H GLU 6 H GLU 6 -6.506 6.232 -12.084 34 HA GLU 6 HA GLU 6 -9.148 5.257 -11.213 35 HB2 GLU 6 2HB GLU 6 -7.745 7.533 -10.366 36 HB3 GLU 6 3HB GLU 6 -8.996 8.135 -11.444 37 HG2 GLU 6 2HG GLU 6 -10.004 8.174 -9.360 38 HG3 GLU 6 3HG GLU 6 -10.602 6.680 -10.079 39 HA PRO 7 HA PRO 7 -9.953 5.625 -15.608 40 HB2 PRO 7 2HB PRO 7 -12.426 4.511 -15.490 41 HB3 PRO 7 3HB PRO 7 -10.939 3.555 -15.462 42 HG2 PRO 7 2HG PRO 7 -12.689 4.405 -13.186 43 HG3 PRO 7 3HG PRO 7 -11.924 2.833 -13.483 44 HD2 PRO 7 2HD PRO 7 -10.907 4.643 -11.745 45 HD3 PRO 7 3HD PRO 7 -9.881 3.533 -12.677 46 H TYR 8 H TYR 8 -10.193 7.805 -15.949 47 HA TYR 8 HA TYR 8 -11.193 9.844 -16.140 48 HB2 TYR 8 2HB TYR 8 -13.928 8.755 -16.177 49 HB3 TYR 8 3HB TYR 8 -13.090 9.741 -17.370 50 HD1 TYR 8 HD1 TYR 8 -11.099 8.414 -18.601 51 HD2 TYR 8 HD2 TYR 8 -14.521 6.625 -16.815 52 HE1 TYR 8 HE1 TYR 8 -10.805 6.437 -20.034 53 HE2 TYR 8 HE2 TYR 8 -14.236 4.642 -18.241 54 HH TYR 8 HH TYR 8 -11.414 4.212 -20.249 55 H SER 9 H SER 9 -10.774 10.697 -14.111 56 HA SER 9 HA SER 9 -12.999 11.452 -12.565 57 HB2 SER 9 2HB SER 9 -11.593 8.995 -11.726 58 HB3 SER 9 3HB SER 9 -11.843 10.186 -10.450 59 HG SER 9 HG SER 9 -14.096 10.199 -11.159 60 H ASP 10 H ASP 10 -12.069 13.473 -12.800 61 HA ASP 10 HA ASP 10 -9.439 14.202 -12.344 62 HB2 ASP 10 2HB ASP 10 -11.098 15.711 -13.336 63 HB3 ASP 10 3HB ASP 10 -11.930 15.828 -11.788 64 H ALA 11 H ALA 11 -11.896 13.348 -10.073 65 HA ALA 11 HA ALA 11 -10.952 14.632 -7.770 66 HB1 ALA 11 1HB ALA 11 -12.680 12.289 -8.323 67 HB2 ALA 11 2HB ALA 11 -12.026 12.450 -6.693 68 HB3 ALA 11 3HB ALA 11 -13.006 13.744 -7.381 69 H ALA 12 H ALA 12 -9.622 12.058 -9.578 70 HA ALA 12 HA ALA 12 -8.070 10.977 -7.375 71 HB1 ALA 12 1HB ALA 12 -7.124 10.012 -9.867 72 HB2 ALA 12 2HB ALA 12 -8.069 9.160 -8.645 73 HB3 ALA 12 3HB ALA 12 -8.887 10.046 -9.932 74 H PHE 13 H PHE 13 -7.614 13.044 -10.184 75 HA PHE 13 HA PHE 13 -4.873 13.159 -10.366 76 HB2 PHE 13 2HB PHE 13 -5.809 14.427 -12.015 77 HB3 PHE 13 3HB PHE 13 -7.082 15.042 -10.967 78 HD1 PHE 13 HD1 PHE 13 -7.035 17.275 -10.470 79 HD2 PHE 13 HD2 PHE 13 -3.372 15.275 -11.309 80 HE1 PHE 13 HE1 PHE 13 -5.824 19.406 -10.249 81 HE2 PHE 13 HE2 PHE 13 -2.156 17.403 -11.088 82 HZ PHE 13 HZ PHE 13 -3.382 19.472 -10.557 83 H THR 14 H THR 14 -6.971 14.656 -7.993 84 HA THR 14 HA THR 14 -4.842 16.220 -6.820 85 HB THR 14 HB THR 14 -6.616 16.609 -4.999 86 HG1 THR 14 HG1 THR 14 -7.825 14.680 -6.233 87 HG21 THR 14 1HG2 THR 14 -7.875 17.599 -7.432 88 HG22 THR 14 2HG2 THR 14 -6.127 17.833 -7.425 89 HG23 THR 14 3HG2 THR 14 -7.110 18.487 -6.115 90 H GLN 15 H GLN 15 -6.573 13.232 -6.119 91 HA GLN 15 HA GLN 15 -5.488 12.814 -3.539 92 HB2 GLN 15 2HB GLN 15 -6.470 10.720 -5.484 93 HB3 GLN 15 3HB GLN 15 -6.324 10.550 -3.739 94 HG2 GLN 15 2HG GLN 15 -7.971 12.814 -4.444 95 HG3 GLN 15 3HG GLN 15 -8.573 11.322 -5.163 96 HE21 GLN 15 1HE2 GLN 15 -8.228 13.159 -2.314 97 HE22 GLN 15 2HE2 GLN 15 -8.977 12.046 -1.226 98 H ALA 16 H ALA 16 -4.302 12.219 -6.748 99 HA ALA 16 HA ALA 16 -2.240 10.384 -5.959 100 HB1 ALA 16 1HB ALA 16 -2.440 9.972 -8.138 101 HB2 ALA 16 2HB ALA 16 -3.243 11.514 -8.436 102 HB3 ALA 16 3HB ALA 16 -1.482 11.429 -8.402 103 H GLN 17 H GLN 17 -2.515 13.848 -6.403 104 HA GLN 17 HA GLN 17 0.346 14.248 -6.090 105 HB2 GLN 17 2HB GLN 17 0.005 16.429 -6.756 106 HB3 GLN 17 3HB GLN 17 -1.322 15.618 -7.576 107 HG2 GLN 17 2HG GLN 17 -2.563 16.234 -5.302 108 HG3 GLN 17 3HG GLN 17 -1.364 17.525 -5.321 109 HE21 GLN 17 1HE2 GLN 17 -3.813 18.390 -5.431 110 HE22 GLN 17 2HE2 GLN 17 -4.278 18.875 -7.023 111 H ALA 18 H ALA 18 -2.509 14.219 -4.164 112 HA ALA 18 HA ALA 18 -1.336 15.743 -1.994 113 HB1 ALA 18 1HB ALA 18 -3.990 14.504 -2.522 114 HB2 ALA 18 2HB ALA 18 -3.527 14.842 -0.853 115 HB3 ALA 18 3HB ALA 18 -3.588 16.151 -2.033 116 H SER 19 H SER 19 -0.881 12.705 -3.112 117 HA SER 19 HA SER 19 -0.651 11.483 -0.453 118 HB2 SER 19 2HB SER 19 -1.328 10.476 -3.084 119 HB3 SER 19 3HB SER 19 0.007 9.561 -2.383 120 HG SER 19 HG SER 19 -2.629 9.854 -1.478 121 H GLY 20 H GLY 20 1.193 13.075 -2.744 122 HA2 GLY 20 2HA GLY 20 3.453 13.462 -2.896 123 HA3 GLY 20 3HA GLY 20 3.619 12.644 -1.350 124 H ALA 21 H ALA 21 2.099 10.906 -3.900 125 HA ALA 21 HA ALA 21 4.527 9.264 -4.184 126 HB1 ALA 21 1HB ALA 21 3.258 7.478 -3.837 127 HB2 ALA 21 2HB ALA 21 1.890 8.548 -3.527 128 HB3 ALA 21 3HB ALA 21 2.182 7.940 -5.156 129 HA PRO 22 HA PRO 22 4.812 10.041 -8.492 130 HB2 PRO 22 2HB PRO 22 5.439 7.599 -9.499 131 HB3 PRO 22 3HB PRO 22 6.574 8.568 -8.551 132 HG2 PRO 22 2HG PRO 22 4.856 6.274 -7.685 133 HG3 PRO 22 3HG PRO 22 6.549 6.617 -7.285 134 HD2 PRO 22 2HD PRO 22 4.513 7.165 -5.587 135 HD3 PRO 22 3HD PRO 22 5.987 8.152 -5.660 136 H VAL 23 H VAL 23 3.050 10.547 -9.639 137 HA VAL 23 HA VAL 23 1.390 8.386 -10.686 138 HB VAL 23 HB VAL 23 0.097 10.824 -9.471 139 HG11 VAL 23 1HG1 VAL 23 -0.836 8.952 -11.278 140 HG12 VAL 23 2HG1 VAL 23 -1.475 8.398 -9.729 141 HG13 VAL 23 3HG1 VAL 23 -1.819 10.034 -10.292 142 HG21 VAL 23 1HG2 VAL 23 0.958 9.761 -7.581 143 HG22 VAL 23 2HG2 VAL 23 -0.677 9.112 -7.714 144 HG23 VAL 23 3HG2 VAL 23 0.701 8.151 -8.252 145 H LEU 24 H LEU 24 1.143 8.646 -12.800 146 HA LEU 24 HA LEU 24 1.629 11.296 -13.960 147 HB2 LEU 24 2HB LEU 24 2.430 10.277 -15.836 148 HB3 LEU 24 3HB LEU 24 2.849 9.073 -14.619 149 HG LEU 24 HG LEU 24 0.371 8.236 -15.431 150 HD11 LEU 24 1HD1 LEU 24 1.819 9.046 -17.937 151 HD12 LEU 24 2HD1 LEU 24 0.516 10.004 -17.235 152 HD13 LEU 24 3HD1 LEU 24 0.204 8.355 -17.779 153 HD21 LEU 24 1HD2 LEU 24 2.014 6.797 -17.036 154 HD22 LEU 24 2HD2 LEU 24 1.801 6.507 -15.309 155 HD23 LEU 24 3HD2 LEU 24 3.169 7.464 -15.882 156 H VAL 25 H VAL 25 0.243 12.164 -15.542 157 HA VAL 25 HA VAL 25 -2.493 11.071 -15.460 158 HB VAL 25 HB VAL 25 -1.724 13.930 -16.042 159 HG11 VAL 25 1HG1 VAL 25 -4.329 13.723 -15.029 160 HG12 VAL 25 2HG1 VAL 25 -3.844 14.108 -16.682 161 HG13 VAL 25 3HG1 VAL 25 -4.168 12.435 -16.223 162 HG21 VAL 25 1HG2 VAL 25 -2.767 14.243 -13.686 163 HG22 VAL 25 2HG2 VAL 25 -2.340 12.546 -13.462 164 HG23 VAL 25 3HG2 VAL 25 -1.085 13.731 -13.824 165 H ASP 26 H ASP 26 -3.633 10.807 -17.337 166 HA ASP 26 HA ASP 26 -2.440 11.660 -19.860 167 HB2 ASP 26 2HB ASP 26 -2.102 9.049 -18.922 168 HB3 ASP 26 3HB ASP 26 -3.407 8.936 -20.101 169 H VAL 27 H VAL 27 -4.048 12.863 -20.648 170 HA VAL 27 HA VAL 27 -6.818 12.183 -20.193 171 HB VAL 27 HB VAL 27 -5.951 14.318 -22.105 172 HG11 VAL 27 1HG1 VAL 27 -8.150 14.275 -20.046 173 HG12 VAL 27 2HG1 VAL 27 -7.936 15.425 -21.368 174 HG13 VAL 27 3HG1 VAL 27 -8.354 13.746 -21.716 175 HG21 VAL 27 1HG2 VAL 27 -4.524 14.984 -20.445 176 HG22 VAL 27 2HG2 VAL 27 -6.006 15.772 -19.904 177 HG23 VAL 27 3HG2 VAL 27 -5.493 14.255 -19.165 178 H TYR 28 H TYR 28 -8.235 11.317 -21.616 179 HA TYR 28 HA TYR 28 -7.194 10.597 -24.278 180 HB2 TYR 28 2HB TYR 28 -7.763 8.797 -22.368 181 HB3 TYR 28 3HB TYR 28 -9.364 8.962 -23.079 182 HD1 TYR 28 HD1 TYR 28 -9.914 7.767 -25.004 183 HD2 TYR 28 HD2 TYR 28 -5.816 8.275 -23.977 184 HE1 TYR 28 HE1 TYR 28 -9.276 6.220 -26.807 185 HE2 TYR 28 HE2 TYR 28 -5.167 6.730 -25.778 186 HH TYR 28 HH TYR 28 -7.327 5.719 -28.200 187 H ALA 29 H ALA 29 -8.816 10.362 -25.968 188 HA ALA 29 HA ALA 29 -11.261 11.926 -25.484 189 HB1 ALA 29 1HB ALA 29 -9.553 12.189 -27.952 190 HB2 ALA 29 2HB ALA 29 -10.990 13.125 -27.539 191 HB3 ALA 29 3HB ALA 29 -9.514 13.311 -26.592 192 H ASP 30 H ASP 30 -12.781 11.703 -27.453 193 HA ASP 30 HA ASP 30 -13.494 8.998 -27.707 194 HB2 ASP 30 2HB ASP 30 -14.916 11.166 -28.005 195 HB3 ASP 30 3HB ASP 30 -14.395 11.067 -29.685 196 H TRP 31 H TRP 31 -12.211 11.228 -30.179 197 HA TRP 31 HA TRP 31 -10.601 9.144 -31.330 198 HB2 TRP 31 2HB TRP 31 -13.022 8.885 -32.241 199 HB3 TRP 31 3HB TRP 31 -12.648 10.323 -33.187 200 HD1 TRP 31 HD1 TRP 31 -10.702 7.015 -32.521 201 HE1 TRP 31 HE1 TRP 31 -9.851 6.139 -34.787 202 HE3 TRP 31 HE3 TRP 31 -12.602 10.657 -35.564 203 HZ2 TRP 31 HZ2 TRP 31 -9.970 6.892 -37.504 204 HZ3 TRP 31 HZ3 TRP 31 -12.188 10.506 -37.985 205 HH2 TRP 31 HH2 TRP 31 -10.898 8.662 -38.933 206 H CYS 32 H CYS 32 -9.977 11.618 -30.198 207 HA CYS 32 HA CYS 32 -9.545 13.532 -32.317 208 HB2 CYS 32 2HB CYS 32 -9.102 13.449 -29.378 209 HB3 CYS 32 3HB CYS 32 -8.076 14.532 -30.312 210 HG CYS 32 HG CYS 32 -10.529 15.639 -31.552 211 HA PRO 33 HA PRO 33 -5.510 12.390 -33.597 212 HB2 PRO 33 2HB PRO 33 -4.251 14.784 -33.832 213 HB3 PRO 33 3HB PRO 33 -5.508 14.246 -34.952 214 HG2 PRO 33 2HG PRO 33 -5.721 16.110 -32.619 215 HG3 PRO 33 3HG PRO 33 -6.436 16.254 -34.236 216 HD2 PRO 33 2HD PRO 33 -7.848 15.399 -32.090 217 HD3 PRO 33 3HD PRO 33 -8.167 14.817 -33.736 218 H VAL 34 H VAL 34 -5.843 14.273 -30.697 219 HA VAL 34 HA VAL 34 -3.098 14.076 -29.886 220 HB VAL 34 HB VAL 34 -3.907 14.894 -27.696 221 HG11 VAL 34 1HG1 VAL 34 -3.393 16.388 -29.676 222 HG12 VAL 34 2HG1 VAL 34 -5.137 16.515 -29.911 223 HG13 VAL 34 3HG1 VAL 34 -4.404 17.088 -28.412 224 HG21 VAL 34 1HG2 VAL 34 -6.508 14.199 -28.902 225 HG22 VAL 34 2HG2 VAL 34 -6.000 14.185 -27.214 226 HG23 VAL 34 3HG2 VAL 34 -6.455 15.704 -27.985 227 H CYS 35 H CYS 35 -6.085 12.333 -29.164 228 HA CYS 35 HA CYS 35 -4.794 10.600 -27.253 229 HB2 CYS 35 2HB CYS 35 -6.928 9.584 -26.959 230 HB3 CYS 35 3HB CYS 35 -7.221 11.309 -27.142 231 HG CYS 35 HG CYS 35 -7.461 10.366 -30.132 232 H LYS 36 H LYS 36 -5.353 10.641 -30.643 233 HA LYS 36 HA LYS 36 -5.029 7.784 -30.984 234 HB2 LYS 36 2HB LYS 36 -6.498 8.991 -32.506 235 HB3 LYS 36 3HB LYS 36 -5.171 10.036 -32.997 236 HG2 LYS 36 2HG LYS 36 -4.542 7.229 -33.357 237 HG3 LYS 36 3HG LYS 36 -5.987 7.717 -34.247 238 HD2 LYS 36 2HD LYS 36 -3.380 9.225 -34.351 239 HD3 LYS 36 3HD LYS 36 -3.819 7.958 -35.500 240 HE2 LYS 36 2HE LYS 36 -6.015 9.723 -35.335 241 HE3 LYS 36 3HE LYS 36 -4.568 10.719 -35.480 242 HZ1 LYS 36 1HZ LYS 36 -4.587 8.469 -37.266 243 HZ2 LYS 36 2HZ LYS 36 -4.275 10.100 -37.587 244 HZ3 LYS 36 3HZ LYS 36 -5.870 9.538 -37.537 245 H ARG 37 H ARG 37 -3.086 10.683 -31.186 246 HA ARG 37 HA ARG 37 -0.833 9.264 -32.347 247 HB2 ARG 37 2HB ARG 37 -1.339 11.599 -33.008 248 HB3 ARG 37 3HB ARG 37 -1.019 12.114 -31.357 249 HG2 ARG 37 2HG ARG 37 1.101 12.401 -31.917 250 HG3 ARG 37 3HG ARG 37 1.236 10.657 -32.152 251 HD2 ARG 37 2HD ARG 37 1.756 11.168 -34.268 252 HD3 ARG 37 3HD ARG 37 0.028 11.458 -34.469 253 HE ARG 37 HE ARG 37 1.199 13.808 -33.515 254 HH11 ARG 37 1HH1 ARG 37 1.239 11.802 -36.361 255 HH12 ARG 37 2HH1 ARG 37 1.595 13.111 -37.438 256 HH21 ARG 37 1HH2 ARG 37 1.668 15.540 -34.923 257 HH22 ARG 37 2HH2 ARG 37 1.840 15.237 -36.619 258 H GLN 38 H GLN 38 -2.005 10.215 -29.242 259 HA GLN 38 HA GLN 38 0.554 9.947 -27.925 260 HB2 GLN 38 2HB GLN 38 -0.985 11.560 -27.021 261 HB3 GLN 38 3HB GLN 38 -2.248 10.346 -26.872 262 HG2 GLN 38 2HG GLN 38 -1.474 9.603 -24.915 263 HG3 GLN 38 3HG GLN 38 0.207 9.681 -25.438 264 HE21 GLN 38 1HE2 GLN 38 1.256 10.830 -23.977 265 HE22 GLN 38 2HE2 GLN 38 0.767 12.367 -23.357 266 H GLU 39 H GLU 39 -2.044 7.906 -28.826 267 HA GLU 39 HA GLU 39 -1.680 5.915 -26.807 268 HB2 GLU 39 2HB GLU 39 -3.811 6.020 -27.882 269 HB3 GLU 39 3HB GLU 39 -3.083 5.894 -29.478 270 HG2 GLU 39 2HG GLU 39 -2.660 3.631 -29.252 271 HG3 GLU 39 3HG GLU 39 -2.752 3.687 -27.492 272 H ARG 40 H ARG 40 -0.108 6.695 -29.763 273 HA ARG 40 HA ARG 40 0.987 4.082 -30.243 274 HB2 ARG 40 2HB ARG 40 2.077 5.027 -32.089 275 HB3 ARG 40 3HB ARG 40 0.583 5.946 -31.965 276 HG2 ARG 40 2HG ARG 40 2.004 7.679 -32.228 277 HG3 ARG 40 3HG ARG 40 2.150 7.508 -30.477 278 HD2 ARG 40 2HD ARG 40 4.206 6.412 -30.637 279 HD3 ARG 40 3HD ARG 40 3.963 6.011 -32.337 280 HE ARG 40 HE ARG 40 5.058 8.438 -31.274 281 HH11 ARG 40 1HH1 ARG 40 3.354 7.024 -33.960 282 HH12 ARG 40 2HH1 ARG 40 3.879 8.224 -35.094 283 HH21 ARG 40 1HH2 ARG 40 5.756 10.024 -32.757 284 HH22 ARG 40 2HH2 ARG 40 5.247 9.929 -34.408 285 H GLU 41 H GLU 41 1.900 6.909 -28.439 286 HA GLU 41 HA GLU 41 4.626 5.966 -28.054 287 HB2 GLU 41 2HB GLU 41 4.815 8.039 -26.627 288 HB3 GLU 41 3HB GLU 41 4.449 8.320 -28.323 289 HG2 GLU 41 2HG GLU 41 2.174 8.792 -27.842 290 HG3 GLU 41 3HG GLU 41 2.347 8.237 -26.178 291 H LEU 42 H LEU 42 1.706 5.220 -26.768 292 HA LEU 42 HA LEU 42 2.106 5.262 -23.995 293 HB2 LEU 42 2HB LEU 42 0.128 4.206 -23.875 294 HB3 LEU 42 3HB LEU 42 0.051 4.596 -25.592 295 HG LEU 42 HG LEU 42 1.207 2.226 -25.817 296 HD11 LEU 42 1HD1 LEU 42 -0.513 1.297 -23.690 297 HD12 LEU 42 2HD1 LEU 42 0.783 2.323 -23.075 298 HD13 LEU 42 3HD1 LEU 42 1.170 0.897 -24.038 299 HD21 LEU 42 1HD2 LEU 42 -1.422 1.463 -25.463 300 HD22 LEU 42 2HD2 LEU 42 -0.714 2.111 -26.942 301 HD23 LEU 42 3HD2 LEU 42 -1.534 3.188 -25.811 302 H THR 43 H THR 43 3.610 3.402 -26.399 303 HA THR 43 HA THR 43 4.231 1.138 -24.712 304 HB THR 43 HB THR 43 5.979 1.179 -26.935 305 HG1 THR 43 HG1 THR 43 4.813 1.920 -28.562 306 HG21 THR 43 1HG2 THR 43 4.666 -0.706 -25.743 307 HG22 THR 43 2HG2 THR 43 4.943 -0.837 -27.481 308 HG23 THR 43 3HG2 THR 43 3.374 -0.306 -26.874 309 HA PRO 44 HA PRO 44 8.660 3.027 -24.912 310 HB2 PRO 44 2HB PRO 44 8.954 5.448 -26.106 311 HB3 PRO 44 3HB PRO 44 9.066 3.921 -26.990 312 HG2 PRO 44 2HG PRO 44 6.760 5.817 -26.768 313 HG3 PRO 44 3HG PRO 44 7.375 4.965 -28.197 314 HD2 PRO 44 2HD PRO 44 5.201 4.120 -26.820 315 HD3 PRO 44 3HD PRO 44 6.308 3.000 -27.639 316 H LEU 45 H LEU 45 6.166 5.561 -24.775 317 HA LEU 45 HA LEU 45 7.414 7.179 -22.854 318 HB2 LEU 45 2HB LEU 45 5.356 7.628 -24.347 319 HB3 LEU 45 3HB LEU 45 4.438 6.876 -23.043 320 HG LEU 45 HG LEU 45 5.951 8.777 -21.736 321 HD11 LEU 45 1HD1 LEU 45 6.572 9.657 -24.004 322 HD12 LEU 45 2HD1 LEU 45 5.786 10.818 -22.934 323 HD13 LEU 45 3HD1 LEU 45 4.870 10.058 -24.235 324 HD21 LEU 45 1HD2 LEU 45 3.128 8.814 -22.779 325 HD22 LEU 45 2HD2 LEU 45 3.767 10.032 -21.675 326 HD23 LEU 45 3HD2 LEU 45 3.690 8.342 -21.175 327 H PHE 46 H PHE 46 5.804 4.160 -22.568 328 HA PHE 46 HA PHE 46 5.785 4.430 -19.634 329 HB2 PHE 46 2HB PHE 46 4.075 2.680 -21.411 330 HB3 PHE 46 3HB PHE 46 4.088 2.598 -19.653 331 HD1 PHE 46 HD1 PHE 46 2.635 3.914 -18.427 332 HD2 PHE 46 HD2 PHE 46 3.502 4.967 -22.458 333 HE1 PHE 46 HE1 PHE 46 0.920 5.676 -18.332 334 HE2 PHE 46 HE2 PHE 46 1.790 6.731 -22.370 335 HZ PHE 46 HZ PHE 46 0.496 7.088 -20.305 336 H ALA 47 H ALA 47 7.779 3.416 -21.830 337 HA ALA 47 HA ALA 47 8.232 0.691 -20.938 338 HB1 ALA 47 1HB ALA 47 9.486 0.424 -22.792 339 HB2 ALA 47 2HB ALA 47 8.638 1.877 -23.322 340 HB3 ALA 47 3HB ALA 47 10.255 2.003 -22.630 341 H GLN 48 H GLN 48 9.064 3.760 -19.884 342 HA GLN 48 HA GLN 48 11.724 3.517 -19.095 343 HB2 GLN 48 2HB GLN 48 9.540 4.971 -17.598 344 HB3 GLN 48 3HB GLN 48 11.267 5.286 -17.502 345 HG2 GLN 48 2HG GLN 48 9.435 5.776 -19.832 346 HG3 GLN 48 3HG GLN 48 10.305 6.967 -18.866 347 HE21 GLN 48 1HE2 GLN 48 12.802 5.995 -18.743 348 HE22 GLN 48 2HE2 GLN 48 13.499 5.889 -20.321 349 HA PRO 49 HA PRO 49 11.774 0.595 -15.820 350 HB2 PRO 49 2HB PRO 49 13.762 1.601 -14.268 351 HB3 PRO 49 3HB PRO 49 14.061 0.818 -15.824 352 HG2 PRO 49 2HG PRO 49 13.909 3.735 -15.170 353 HG3 PRO 49 3HG PRO 49 15.065 2.880 -16.208 354 HD2 PRO 49 2HD PRO 49 12.962 4.266 -17.202 355 HD3 PRO 49 3HD PRO 49 13.604 2.811 -17.990 356 H ALA 50 H ALA 50 10.997 3.878 -15.275 357 HA ALA 50 HA ALA 50 10.414 3.506 -12.446 358 HB1 ALA 50 1HB ALA 50 9.470 5.958 -12.933 359 HB2 ALA 50 2HB ALA 50 11.176 5.632 -12.626 360 HB3 ALA 50 3HB ALA 50 10.599 5.818 -14.282 361 H GLN 51 H GLN 51 8.876 2.944 -15.359 362 HA GLN 51 HA GLN 51 6.231 3.757 -14.789 363 HB2 GLN 51 2HB GLN 51 5.585 2.513 -16.682 364 HB3 GLN 51 3HB GLN 51 7.212 3.074 -17.043 365 HG2 GLN 51 2HG GLN 51 7.656 0.967 -17.579 366 HG3 GLN 51 3HG GLN 51 7.662 0.649 -15.845 367 HE21 GLN 51 1HE2 GLN 51 6.834 -0.903 -18.319 368 HE22 GLN 51 2HE2 GLN 51 5.264 -1.507 -17.923 369 H ARG 52 H ARG 52 8.145 1.298 -13.478 370 HA ARG 52 HA ARG 52 5.979 -0.504 -12.842 371 HB2 ARG 52 2HB ARG 52 8.105 -1.522 -13.199 372 HB3 ARG 52 3HB ARG 52 8.894 -0.424 -12.075 373 HG2 ARG 52 2HG ARG 52 8.623 -2.662 -11.134 374 HG3 ARG 52 3HG ARG 52 7.730 -1.450 -10.213 375 HD2 ARG 52 2HD ARG 52 5.732 -2.351 -10.727 376 HD3 ARG 52 3HD ARG 52 6.214 -2.721 -12.383 377 HE ARG 52 HE ARG 52 7.561 -4.465 -10.661 378 HH11 ARG 52 1HH1 ARG 52 4.325 -3.791 -11.753 379 HH12 ARG 52 2HH1 ARG 52 3.776 -5.421 -11.547 380 HH21 ARG 52 1HH2 ARG 52 6.850 -6.615 -10.386 381 HH22 ARG 52 2HH2 ARG 52 5.212 -7.026 -10.768 382 H ASP 53 H ASP 53 7.647 2.155 -11.351 383 HA ASP 53 HA ASP 53 6.110 1.718 -8.875 384 HB2 ASP 53 2HB ASP 53 8.861 2.666 -9.381 385 HB3 ASP 53 3HB ASP 53 7.967 3.568 -8.160 386 H LEU 54 H LEU 54 5.808 3.312 -11.614 387 HA LEU 54 HA LEU 54 4.913 5.827 -10.372 388 HB2 LEU 54 2HB LEU 54 6.462 6.408 -12.003 389 HB3 LEU 54 3HB LEU 54 5.911 5.153 -13.110 390 HG LEU 54 HG LEU 54 3.966 6.429 -13.689 391 HD11 LEU 54 1HD1 LEU 54 3.972 8.865 -12.658 392 HD12 LEU 54 2HD1 LEU 54 4.742 8.028 -11.311 393 HD13 LEU 54 3HD1 LEU 54 3.147 7.522 -11.867 394 HD21 LEU 54 1HD2 LEU 54 5.887 7.016 -14.964 395 HD22 LEU 54 2HD2 LEU 54 6.502 8.054 -13.678 396 HD23 LEU 54 3HD2 LEU 54 5.049 8.515 -14.565 397 H ARG 55 H ARG 55 2.802 5.925 -10.026 398 HA ARG 55 HA ARG 55 0.928 4.124 -11.112 399 HB2 ARG 55 2HB ARG 55 0.749 6.655 -9.530 400 HB3 ARG 55 3HB ARG 55 -0.713 5.993 -10.249 401 HG2 ARG 55 2HG ARG 55 -0.635 5.162 -8.052 402 HG3 ARG 55 3HG ARG 55 -0.146 3.821 -9.090 403 HD2 ARG 55 2HD ARG 55 1.868 3.701 -8.139 404 HD3 ARG 55 3HD ARG 55 2.113 5.442 -8.270 405 HE ARG 55 HE ARG 55 0.394 5.223 -6.198 406 HH11 ARG 55 1HH1 ARG 55 3.441 3.710 -6.938 407 HH12 ARG 55 2HH1 ARG 55 3.900 3.525 -5.277 408 HH21 ARG 55 1HH2 ARG 55 0.988 4.985 -4.008 409 HH22 ARG 55 2HH2 ARG 55 2.504 4.249 -3.612 410 H VAL 56 H VAL 56 -1.196 5.162 -12.114 411 HA VAL 56 HA VAL 56 -0.641 7.192 -14.106 412 HB VAL 56 HB VAL 56 0.172 5.357 -15.364 413 HG11 VAL 56 1HG1 VAL 56 -1.641 3.847 -13.796 414 HG12 VAL 56 2HG1 VAL 56 -2.027 3.559 -15.493 415 HG13 VAL 56 3HG1 VAL 56 -0.393 3.263 -14.897 416 HG21 VAL 56 1HG2 VAL 56 -1.536 6.898 -16.438 417 HG22 VAL 56 2HG2 VAL 56 -1.251 5.356 -17.245 418 HG23 VAL 56 3HG2 VAL 56 -2.692 5.579 -16.253 419 H PHE 57 H PHE 57 -2.373 8.449 -14.180 420 HA PHE 57 HA PHE 57 -5.002 7.259 -13.589 421 HB2 PHE 57 2HB PHE 57 -4.699 8.784 -11.870 422 HB3 PHE 57 3HB PHE 57 -3.789 9.901 -12.883 423 HD1 PHE 57 HD1 PHE 57 -7.211 8.464 -12.551 424 HD2 PHE 57 HD2 PHE 57 -4.821 11.820 -13.619 425 HE1 PHE 57 HE1 PHE 57 -9.248 9.801 -12.896 426 HE2 PHE 57 HE2 PHE 57 -6.853 13.162 -13.965 427 HZ PHE 57 HZ PHE 57 -9.071 12.153 -13.603 428 H LYS 58 H LYS 58 -6.491 7.306 -15.139 429 HA LYS 58 HA LYS 58 -5.931 8.860 -17.560 430 HB2 LYS 58 2HB LYS 58 -6.343 6.375 -17.687 431 HB3 LYS 58 3HB LYS 58 -7.999 6.691 -17.187 432 HG2 LYS 58 2HG LYS 58 -8.399 6.754 -19.388 433 HG3 LYS 58 3HG LYS 58 -7.768 8.399 -19.272 434 HD2 LYS 58 2HD LYS 58 -6.227 7.813 -20.770 435 HD3 LYS 58 3HD LYS 58 -5.512 6.783 -19.527 436 HE2 LYS 58 2HE LYS 58 -7.588 5.251 -20.464 437 HE3 LYS 58 3HE LYS 58 -7.025 6.069 -21.921 438 HZ1 LYS 58 1HZ LYS 58 -4.990 5.064 -21.810 439 HZ2 LYS 58 2HZ LYS 58 -5.955 3.837 -21.160 440 HZ3 LYS 58 3HZ LYS 58 -5.050 4.834 -20.135 441 H VAL 59 H VAL 59 -7.174 10.518 -18.197 442 HA VAL 59 HA VAL 59 -9.718 10.971 -16.782 443 HB VAL 59 HB VAL 59 -8.282 12.572 -15.824 444 HG11 VAL 59 1HG1 VAL 59 -6.787 14.015 -17.098 445 HG12 VAL 59 2HG1 VAL 59 -6.417 12.314 -17.391 446 HG13 VAL 59 3HG1 VAL 59 -7.305 13.245 -18.598 447 HG21 VAL 59 1HG2 VAL 59 -9.555 14.392 -16.170 448 HG22 VAL 59 2HG2 VAL 59 -9.239 14.409 -17.905 449 HG23 VAL 59 3HG2 VAL 59 -10.470 13.333 -17.243 450 H ASN 60 H ASN 60 -11.309 10.768 -18.208 451 HA ASN 60 HA ASN 60 -10.861 11.323 -21.022 452 HB2 ASN 60 2HB ASN 60 -12.803 9.803 -19.439 453 HB3 ASN 60 3HB ASN 60 -13.533 10.699 -20.768 454 HD21 ASN 60 1HD2 ASN 60 -10.372 9.135 -20.490 455 HD22 ASN 60 2HD2 ASN 60 -10.592 8.063 -21.827 456 H PHE 61 H PHE 61 -12.171 12.754 -22.259 457 HA PHE 61 HA PHE 61 -12.509 15.294 -21.141 458 HB2 PHE 61 2HB PHE 61 -13.433 15.953 -23.239 459 HB3 PHE 61 3HB PHE 61 -12.215 14.731 -23.589 460 HD1 PHE 61 HD1 PHE 61 -15.692 15.635 -23.821 461 HD2 PHE 61 HD2 PHE 61 -12.935 12.407 -24.136 462 HE1 PHE 61 HE1 PHE 61 -17.368 14.329 -25.061 463 HE2 PHE 61 HE2 PHE 61 -14.606 11.097 -25.377 464 HZ PHE 61 HZ PHE 61 -16.826 12.057 -25.842 465 H ASP 62 H ASP 62 -14.501 12.557 -20.960 466 HA ASP 62 HA ASP 62 -17.000 13.958 -20.655 467 HB2 ASP 62 2HB ASP 62 -16.351 11.101 -19.907 468 HB3 ASP 62 3HB ASP 62 -17.951 11.793 -20.163 469 H THR 63 H THR 63 -14.336 13.286 -18.668 470 HA THR 63 HA THR 63 -15.939 13.699 -16.232 471 HB THR 63 HB THR 63 -13.095 12.701 -16.282 472 HG1 THR 63 HG1 THR 63 -14.599 11.310 -17.483 473 HG21 THR 63 1HG2 THR 63 -15.229 13.039 -14.254 474 HG22 THR 63 2HG2 THR 63 -13.479 13.187 -14.093 475 HG23 THR 63 3HG2 THR 63 -14.230 11.592 -14.125 476 H GLN 64 H GLN 64 -13.441 14.995 -18.235 477 HA GLN 64 HA GLN 64 -12.923 17.109 -16.252 478 HB2 GLN 64 2HB GLN 64 -11.168 15.576 -17.931 479 HB3 GLN 64 3HB GLN 64 -11.035 17.280 -18.346 480 HG2 GLN 64 2HG GLN 64 -10.677 17.756 -15.919 481 HG3 GLN 64 3HG GLN 64 -10.600 16.015 -15.654 482 HE21 GLN 64 1HE2 GLN 64 -8.473 16.197 -14.905 483 HE22 GLN 64 2HE2 GLN 64 -7.149 16.449 -15.986 484 H LYS 65 H LYS 65 -15.124 16.811 -18.305 485 HA LYS 65 HA LYS 65 -14.781 18.574 -20.434 486 HB2 LYS 65 2HB LYS 65 -17.140 18.592 -20.644 487 HB3 LYS 65 3HB LYS 65 -16.728 17.004 -20.011 488 HG2 LYS 65 2HG LYS 65 -18.322 17.394 -18.505 489 HG3 LYS 65 3HG LYS 65 -17.136 18.443 -17.725 490 HD2 LYS 65 2HD LYS 65 -19.062 19.768 -17.923 491 HD3 LYS 65 3HD LYS 65 -18.025 20.289 -19.253 492 HE2 LYS 65 2HE LYS 65 -19.304 19.109 -20.843 493 HE3 LYS 65 3HE LYS 65 -20.141 18.182 -19.599 494 HZ1 LYS 65 1HZ LYS 65 -21.325 20.113 -18.920 495 HZ2 LYS 65 2HZ LYS 65 -21.480 19.995 -20.600 496 HZ3 LYS 65 3HZ LYS 65 -20.409 21.119 -19.927 497 H ALA 66 H ALA 66 -15.058 19.204 -17.075 498 HA ALA 66 HA ALA 66 -15.977 21.920 -17.337 499 HB1 ALA 66 1HB ALA 66 -15.663 22.073 -14.954 500 HB2 ALA 66 2HB ALA 66 -16.451 20.542 -15.338 501 HB3 ALA 66 3HB ALA 66 -14.732 20.575 -14.944 502 H ALA 67 H ALA 67 -13.033 20.369 -17.805 503 HA ALA 67 HA ALA 67 -11.354 22.569 -16.948 504 HB1 ALA 67 1HB ALA 67 -10.932 19.870 -17.286 505 HB2 ALA 67 2HB ALA 67 -10.089 20.586 -18.661 506 HB3 ALA 67 3HB ALA 67 -9.686 21.090 -17.019 507 H LEU 68 H LEU 68 -12.376 21.100 -20.014 508 HA LEU 68 HA LEU 68 -10.996 23.088 -21.582 509 HB2 LEU 68 2HB LEU 68 -13.101 21.367 -22.770 510 HB3 LEU 68 3HB LEU 68 -11.528 21.835 -23.413 511 HG LEU 68 HG LEU 68 -10.734 20.242 -21.400 512 HD11 LEU 68 1HD1 LEU 68 -12.166 18.567 -20.849 513 HD12 LEU 68 2HD1 LEU 68 -13.037 18.653 -22.380 514 HD13 LEU 68 3HD1 LEU 68 -13.346 19.850 -21.122 515 HD21 LEU 68 1HD2 LEU 68 -10.208 18.653 -23.039 516 HD22 LEU 68 2HD2 LEU 68 -10.265 20.186 -23.909 517 HD23 LEU 68 3HD2 LEU 68 -11.619 19.060 -24.015 518 H GLN 69 H GLN 69 -14.252 22.512 -20.431 519 HA GLN 69 HA GLN 69 -15.486 24.493 -22.082 520 HB2 GLN 69 2HB GLN 69 -16.782 22.633 -21.184 521 HB3 GLN 69 3HB GLN 69 -16.443 23.163 -19.542 522 HG2 GLN 69 2HG GLN 69 -17.769 25.111 -19.803 523 HG3 GLN 69 3HG GLN 69 -17.918 24.851 -21.541 524 HE21 GLN 69 1HE2 GLN 69 -19.450 23.480 -22.309 525 HE22 GLN 69 2HE2 GLN 69 -20.627 22.699 -21.314 526 H GLN 70 H GLN 70 -13.805 24.514 -19.063 527 HA GLN 70 HA GLN 70 -14.794 27.163 -18.358 528 HB2 GLN 70 2HB GLN 70 -14.534 25.489 -16.579 529 HB3 GLN 70 3HB GLN 70 -12.818 25.365 -16.943 530 HG2 GLN 70 2HG GLN 70 -12.325 27.162 -15.732 531 HG3 GLN 70 3HG GLN 70 -13.650 28.096 -16.424 532 HE21 GLN 70 1HE2 GLN 70 -12.483 27.274 -13.612 533 HE22 GLN 70 2HE2 GLN 70 -13.922 27.036 -12.687 534 H PHE 71 H PHE 71 -11.829 25.570 -19.407 535 HA PHE 71 HA PHE 71 -10.386 28.099 -19.416 536 HB2 PHE 71 2HB PHE 71 -9.524 25.278 -20.079 537 HB3 PHE 71 3HB PHE 71 -8.462 26.679 -20.174 538 HD1 PHE 71 HD1 PHE 71 -9.212 28.175 -17.772 539 HD2 PHE 71 HD2 PHE 71 -8.687 23.991 -18.350 540 HE1 PHE 71 HE1 PHE 71 -8.661 27.919 -15.388 541 HE2 PHE 71 HE2 PHE 71 -8.136 23.728 -15.966 542 HZ PHE 71 HZ PHE 71 -8.123 25.693 -14.482 543 H ARG 72 H ARG 72 -12.469 26.546 -21.442 544 HA ARG 72 HA ARG 72 -13.042 26.810 -23.627 545 HB2 ARG 72 2HB ARG 72 -12.527 29.240 -22.974 546 HB3 ARG 72 3HB ARG 72 -10.999 29.013 -23.815 547 HG2 ARG 72 2HG ARG 72 -13.177 28.132 -25.465 548 HG3 ARG 72 3HG ARG 72 -13.452 29.784 -24.906 549 HD2 ARG 72 2HD ARG 72 -10.860 29.958 -25.583 550 HD3 ARG 72 3HD ARG 72 -11.374 28.702 -26.708 551 HE ARG 72 HE ARG 72 -13.169 30.901 -26.738 552 HH11 ARG 72 1HH1 ARG 72 -10.035 29.870 -27.848 553 HH12 ARG 72 2HH1 ARG 72 -10.031 30.925 -29.223 554 HH21 ARG 72 1HH2 ARG 72 -13.176 32.294 -28.544 555 HH22 ARG 72 2HH2 ARG 72 -11.817 32.304 -29.617 556 H VAL 73 H VAL 73 -11.365 24.771 -23.224 557 HA VAL 73 HA VAL 73 -9.462 24.944 -25.471 558 HB VAL 73 HB VAL 73 -8.972 22.802 -23.526 559 HG11 VAL 73 1HG1 VAL 73 -7.585 24.240 -25.507 560 HG12 VAL 73 2HG1 VAL 73 -6.779 24.585 -23.976 561 HG13 VAL 73 3HG1 VAL 73 -6.985 22.916 -24.509 562 HG21 VAL 73 1HG2 VAL 73 -8.615 25.686 -22.718 563 HG22 VAL 73 2HG2 VAL 73 -9.656 24.492 -21.942 564 HG23 VAL 73 3HG2 VAL 73 -7.903 24.308 -21.879 565 H SER 74 H SER 74 -8.832 22.319 -25.780 566 HA SER 74 HA SER 74 -10.965 20.499 -25.756 567 HB2 SER 74 2HB SER 74 -12.071 21.932 -27.351 568 HB3 SER 74 3HB SER 74 -10.617 22.026 -28.345 569 HG SER 74 HG SER 74 -12.150 20.514 -29.153 570 H GLN 75 H GLN 75 -8.607 19.885 -25.016 571 HA GLN 75 HA GLN 75 -7.597 18.107 -27.077 572 HB2 GLN 75 2HB GLN 75 -6.194 20.520 -26.209 573 HB3 GLN 75 3HB GLN 75 -5.228 19.061 -26.028 574 HG2 GLN 75 2HG GLN 75 -4.759 19.098 -28.183 575 HG3 GLN 75 3HG GLN 75 -6.473 18.956 -28.566 576 HE21 GLN 75 1HE2 GLN 75 -4.161 21.413 -27.463 577 HE22 GLN 75 2HE2 GLN 75 -4.755 22.675 -28.482 578 H GLN 76 H GLN 76 -7.146 16.180 -26.230 579 HA GLN 76 HA GLN 76 -6.756 16.010 -23.315 580 HB2 GLN 76 2HB GLN 76 -8.018 14.052 -25.235 581 HB3 GLN 76 3HB GLN 76 -7.625 13.659 -23.567 582 HG2 GLN 76 2HG GLN 76 -9.865 14.205 -23.464 583 HG3 GLN 76 3HG GLN 76 -9.070 15.699 -22.970 584 HE21 GLN 76 1HE2 GLN 76 -11.024 14.146 -25.333 585 HE22 GLN 76 2HE2 GLN 76 -11.349 15.540 -26.300 586 H SER 77 H SER 77 -4.463 16.404 -23.771 587 HA SER 77 HA SER 77 -3.081 13.876 -24.224 588 HB2 SER 77 2HB SER 77 -3.145 15.947 -26.178 589 HB3 SER 77 3HB SER 77 -1.518 15.898 -25.500 590 HG SER 77 HG SER 77 -1.952 13.449 -25.840 591 H THR 78 H THR 78 -3.668 16.071 -22.111 592 HA THR 78 HA THR 78 -1.167 17.180 -21.374 593 HB THR 78 HB THR 78 -2.210 18.032 -19.496 594 HG1 THR 78 HG1 THR 78 -3.127 16.645 -18.199 595 HG21 THR 78 1HG2 THR 78 -4.075 19.032 -20.315 596 HG22 THR 78 2HG2 THR 78 -4.811 17.505 -20.802 597 HG23 THR 78 3HG2 THR 78 -3.566 18.244 -21.808 598 H LEU 79 H LEU 79 0.317 16.549 -19.820 599 HA LEU 79 HA LEU 79 -0.037 14.067 -18.379 600 HB2 LEU 79 2HB LEU 79 0.973 12.789 -19.889 601 HB3 LEU 79 3HB LEU 79 1.420 14.187 -20.864 602 HG LEU 79 HG LEU 79 3.411 14.484 -19.377 603 HD11 LEU 79 1HD1 LEU 79 3.471 13.372 -17.459 604 HD12 LEU 79 2HD1 LEU 79 3.702 11.888 -18.383 605 HD13 LEU 79 3HD1 LEU 79 2.077 12.395 -17.921 606 HD21 LEU 79 1HD2 LEU 79 4.509 12.285 -20.264 607 HD22 LEU 79 2HD2 LEU 79 3.969 13.528 -21.393 608 HD23 LEU 79 3HD2 LEU 79 2.975 12.097 -21.114 609 H ILE 80 H ILE 80 0.955 14.170 -16.462 610 HA ILE 80 HA ILE 80 3.421 15.596 -16.081 611 HB ILE 80 HB ILE 80 2.049 17.526 -15.935 612 HG12 ILE 80 2HG1 ILE 80 2.486 16.566 -13.100 613 HG13 ILE 80 3HG1 ILE 80 3.749 17.223 -14.134 614 HG21 ILE 80 1HG2 ILE 80 -0.137 17.156 -15.647 615 HG22 ILE 80 2HG2 ILE 80 0.142 15.669 -14.743 616 HG23 ILE 80 3HG2 ILE 80 0.216 17.227 -13.920 617 HD11 ILE 80 1HD1 ILE 80 2.153 18.633 -12.386 618 HD12 ILE 80 2HD1 ILE 80 3.163 19.309 -13.664 619 HD13 ILE 80 3HD1 ILE 80 1.457 18.981 -13.968 620 H LEU 81 H LEU 81 4.545 14.394 -14.711 621 HA LEU 81 HA LEU 81 3.127 12.628 -12.861 622 HB2 LEU 81 2HB LEU 81 4.666 11.367 -14.019 623 HB3 LEU 81 3HB LEU 81 5.853 12.669 -14.066 624 HG LEU 81 HG LEU 81 6.442 12.271 -11.757 625 HD11 LEU 81 1HD1 LEU 81 3.952 10.744 -11.781 626 HD12 LEU 81 2HD1 LEU 81 4.798 11.519 -10.442 627 HD13 LEU 81 3HD1 LEU 81 5.291 9.916 -10.987 628 HD21 LEU 81 1HD2 LEU 81 6.519 10.074 -13.739 629 HD22 LEU 81 2HD2 LEU 81 6.963 9.672 -12.080 630 HD23 LEU 81 3HD2 LEU 81 7.837 10.937 -12.946 631 H TYR 82 H TYR 82 2.983 13.074 -10.768 632 HA TYR 82 HA TYR 82 4.716 15.177 -9.664 633 HB2 TYR 82 2HB TYR 82 2.357 14.265 -8.123 634 HB3 TYR 82 3HB TYR 82 2.977 15.892 -8.378 635 HD1 TYR 82 HD1 TYR 82 0.868 13.225 -9.784 636 HD2 TYR 82 HD2 TYR 82 2.200 17.244 -10.206 637 HE1 TYR 82 HE1 TYR 82 -0.903 13.631 -11.442 638 HE2 TYR 82 HE2 TYR 82 0.432 17.662 -11.864 639 HH TYR 82 HH TYR 82 -1.407 16.846 -12.841 640 H ARG 83 H ARG 83 6.195 14.674 -8.190 641 HA ARG 83 HA ARG 83 5.924 12.125 -6.738 642 HB2 ARG 83 2HB ARG 83 8.251 11.686 -6.966 643 HB3 ARG 83 3HB ARG 83 7.657 12.089 -8.571 644 HG2 ARG 83 2HG ARG 83 8.506 14.400 -8.242 645 HG3 ARG 83 3HG ARG 83 9.217 13.871 -6.715 646 HD2 ARG 83 2HD ARG 83 10.440 12.104 -8.033 647 HD3 ARG 83 3HD ARG 83 9.886 12.923 -9.493 648 HE ARG 83 HE ARG 83 11.075 14.897 -8.059 649 HH11 ARG 83 1HH1 ARG 83 12.084 11.747 -9.143 650 HH12 ARG 83 2HH1 ARG 83 13.754 12.185 -9.278 651 HH21 ARG 83 1HH2 ARG 83 13.271 15.486 -8.233 652 HH22 ARG 83 2HH2 ARG 83 14.429 14.312 -8.759 653 H ASN 84 H ASN 84 5.947 12.328 -4.600 654 HA ASN 84 HA ASN 84 6.239 13.167 -2.507 655 HB2 ASN 84 2HB ASN 84 8.678 13.352 -3.602 656 HB3 ASN 84 3HB ASN 84 8.366 15.067 -3.349 657 HD21 ASN 84 1HD2 ASN 84 8.704 15.891 -1.399 658 HD22 ASN 84 2HD2 ASN 84 9.012 14.977 0.034 659 H GLY 85 H GLY 85 4.490 14.487 -4.487 660 HA2 GLY 85 2HA GLY 85 2.985 16.237 -4.319 661 HA3 GLY 85 3HA GLY 85 3.869 16.813 -2.914 662 H GLN 86 H GLN 86 5.433 16.214 -5.978 663 HA GLN 86 HA GLN 86 5.390 19.042 -6.672 664 HB2 GLN 86 2HB GLN 86 7.698 17.658 -5.512 665 HB3 GLN 86 3HB GLN 86 8.057 18.476 -7.027 666 HG2 GLN 86 2HG GLN 86 7.234 20.568 -6.123 667 HG3 GLN 86 3HG GLN 86 6.793 19.763 -4.618 668 HE21 GLN 86 1HE2 GLN 86 8.119 20.659 -3.176 669 HE22 GLN 86 2HE2 GLN 86 9.843 20.678 -3.286 670 H GLU 87 H GLU 87 5.451 19.385 -8.825 671 HA GLU 87 HA GLU 87 5.411 17.064 -10.550 672 HB2 GLU 87 2HB GLU 87 4.821 18.695 -12.321 673 HB3 GLU 87 3HB GLU 87 3.752 18.780 -10.928 674 HG2 GLU 87 2HG GLU 87 5.859 20.599 -10.472 675 HG3 GLU 87 3HG GLU 87 5.303 20.841 -12.127 676 H VAL 88 H VAL 88 7.095 16.302 -11.633 677 HA VAL 88 HA VAL 88 9.606 17.738 -11.610 678 HB VAL 88 HB VAL 88 10.539 15.724 -12.672 679 HG11 VAL 88 1HG1 VAL 88 8.833 14.669 -10.474 680 HG12 VAL 88 2HG1 VAL 88 10.567 14.486 -10.746 681 HG13 VAL 88 3HG1 VAL 88 9.925 16.008 -10.126 682 HG21 VAL 88 1HG2 VAL 88 8.668 15.064 -14.049 683 HG22 VAL 88 2HG2 VAL 88 9.093 13.738 -12.967 684 HG23 VAL 88 3HG2 VAL 88 7.686 14.744 -12.620 685 H ARG 89 H ARG 89 7.139 16.821 -13.937 686 HA ARG 89 HA ARG 89 8.037 18.820 -15.782 687 HB2 ARG 89 2HB ARG 89 9.152 16.250 -16.062 688 HB3 ARG 89 3HB ARG 89 7.934 16.388 -17.324 689 HG2 ARG 89 2HG ARG 89 9.730 17.235 -18.428 690 HG3 ARG 89 3HG ARG 89 9.100 18.720 -17.714 691 HD2 ARG 89 2HD ARG 89 10.773 18.827 -16.130 692 HD3 ARG 89 3HD ARG 89 11.088 17.093 -16.197 693 HE ARG 89 HE ARG 89 11.817 17.981 -18.658 694 HH11 ARG 89 1HH1 ARG 89 12.655 18.891 -15.404 695 HH12 ARG 89 2HH1 ARG 89 14.255 19.410 -15.822 696 HH21 ARG 89 1HH2 ARG 89 13.921 18.660 -19.221 697 HH22 ARG 89 2HH2 ARG 89 14.973 19.279 -17.993 698 H ARG 90 H ARG 90 6.572 19.107 -17.573 699 HA ARG 90 HA ARG 90 4.168 17.530 -17.709 700 HB2 ARG 90 2HB ARG 90 2.604 19.177 -17.015 701 HB3 ARG 90 3HB ARG 90 3.818 19.085 -15.745 702 HG2 ARG 90 2HG ARG 90 4.073 21.276 -15.901 703 HG3 ARG 90 3HG ARG 90 4.718 21.050 -17.528 704 HD2 ARG 90 2HD ARG 90 2.911 22.619 -17.642 705 HD3 ARG 90 3HD ARG 90 2.389 21.112 -18.394 706 HE ARG 90 HE ARG 90 0.770 20.934 -16.796 707 HH11 ARG 90 1HH1 ARG 90 3.214 23.144 -15.671 708 HH12 ARG 90 2HH1 ARG 90 2.333 23.600 -14.251 709 HH21 ARG 90 1HH2 ARG 90 -0.400 21.528 -14.930 710 HH22 ARG 90 2HH2 ARG 90 0.278 22.680 -13.830 711 H SER 91 H SER 91 2.964 17.922 -19.572 712 HA SER 91 HA SER 91 3.511 20.145 -21.294 713 HB2 SER 91 2HB SER 91 5.281 18.005 -21.520 714 HB3 SER 91 3HB SER 91 4.132 17.755 -22.835 715 HG SER 91 HG SER 91 4.853 19.493 -23.806 716 H ILE 92 H ILE 92 2.178 20.144 -23.208 717 HA ILE 92 HA ILE 92 0.057 18.120 -23.254 718 HB ILE 92 HB ILE 92 -0.710 20.111 -21.932 719 HG12 ILE 92 2HG1 ILE 92 -2.111 18.528 -23.545 720 HG13 ILE 92 3HG1 ILE 92 -2.857 19.886 -22.709 721 HG21 ILE 92 1HG2 ILE 92 -1.307 22.143 -23.234 722 HG22 ILE 92 2HG2 ILE 92 0.430 21.874 -23.091 723 HG23 ILE 92 3HG2 ILE 92 -0.401 21.483 -24.596 724 HD11 ILE 92 1HD1 ILE 92 -3.010 21.150 -24.626 725 HD12 ILE 92 2HD1 ILE 92 -1.721 20.262 -25.440 726 HD13 ILE 92 3HD1 ILE 92 -3.306 19.519 -25.228 727 H GLY 93 H GLY 93 -0.760 17.661 -25.259 728 HA2 GLY 93 2HA GLY 93 -1.064 18.909 -27.540 729 HA3 GLY 93 3HA GLY 93 0.693 18.855 -27.508 730 H GLU 94 H GLU 94 1.478 16.495 -26.863 731 HA GLU 94 HA GLU 94 0.047 14.231 -27.536 732 HB2 GLU 94 2HB GLU 94 1.094 13.856 -29.873 733 HB3 GLU 94 3HB GLU 94 -0.336 14.871 -29.740 734 HG2 GLU 94 2HG GLU 94 1.895 16.559 -29.424 735 HG3 GLU 94 3HG GLU 94 2.231 15.508 -30.799 736 H THR 95 H THR 95 3.200 15.663 -28.385 737 HA THR 95 HA THR 95 4.559 13.825 -26.619 738 HB THR 95 HB THR 95 5.371 13.761 -29.520 739 HG1 THR 95 HG1 THR 95 3.869 12.318 -29.875 740 HG21 THR 95 1HG2 THR 95 7.168 12.845 -28.514 741 HG22 THR 95 2HG2 THR 95 6.144 11.418 -28.361 742 HG23 THR 95 3HG2 THR 95 6.295 12.544 -27.013 743 H SER 96 H SER 96 6.461 14.637 -25.894 744 HA SER 96 HA SER 96 8.024 16.535 -27.326 745 HB2 SER 96 2HB SER 96 5.925 17.531 -25.538 746 HB3 SER 96 3HB SER 96 7.526 18.165 -25.161 747 HG SER 96 HG SER 96 6.488 19.468 -26.701 748 HA PRO 97 HA PRO 97 11.118 15.262 -24.492 749 HB2 PRO 97 2HB PRO 97 12.619 17.503 -24.178 750 HB3 PRO 97 3HB PRO 97 12.611 16.553 -25.669 751 HG2 PRO 97 2HG PRO 97 11.137 19.077 -25.023 752 HG3 PRO 97 3HG PRO 97 11.995 18.632 -26.510 753 HD2 PRO 97 2HD PRO 97 9.302 18.472 -26.280 754 HD3 PRO 97 3HD PRO 97 10.243 17.354 -27.289 755 H SER 98 H SER 98 9.114 17.958 -23.639 756 HA SER 98 HA SER 98 10.039 17.987 -20.878 757 HB2 SER 98 2HB SER 98 9.407 20.083 -22.199 758 HB3 SER 98 3HB SER 98 7.731 19.567 -22.014 759 HG SER 98 HG SER 98 9.349 20.789 -20.232 760 H ALA 99 H ALA 99 7.632 16.497 -22.781 761 HA ALA 99 HA ALA 99 5.799 16.038 -20.581 762 HB1 ALA 99 1HB ALA 99 5.581 16.046 -23.379 763 HB2 ALA 99 2HB ALA 99 5.255 14.391 -22.863 764 HB3 ALA 99 3HB ALA 99 4.312 15.724 -22.197 765 H LEU 100 H LEU 100 8.150 14.215 -22.487 766 HA LEU 100 HA LEU 100 7.625 11.774 -21.017 767 HB2 LEU 100 2HB LEU 100 8.127 11.454 -23.296 768 HB3 LEU 100 3HB LEU 100 9.527 12.522 -23.217 769 HG LEU 100 HG LEU 100 10.642 10.807 -21.769 770 HD11 LEU 100 1HD1 LEU 100 8.326 9.087 -22.644 771 HD12 LEU 100 2HD1 LEU 100 8.611 9.669 -21.004 772 HD13 LEU 100 3HD1 LEU 100 9.750 8.550 -21.752 773 HD21 LEU 100 1HD2 LEU 100 10.405 9.121 -23.981 774 HD22 LEU 100 2HD2 LEU 100 11.610 10.383 -23.724 775 HD23 LEU 100 3HD2 LEU 100 10.123 10.747 -24.602 776 H SER 101 H SER 101 9.688 14.494 -20.779 777 HA SER 101 HA SER 101 11.950 13.432 -19.550 778 HB2 SER 101 2HB SER 101 10.689 16.068 -19.768 779 HB3 SER 101 3HB SER 101 11.608 15.856 -18.278 780 HG SER 101 HG SER 101 12.798 14.997 -20.644 781 H ASP 102 H ASP 102 8.741 13.652 -18.403 782 HA ASP 102 HA ASP 102 9.442 13.549 -15.597 783 HB2 ASP 102 2HB ASP 102 7.159 13.722 -15.146 784 HB3 ASP 102 3HB ASP 102 7.328 14.622 -16.650 785 H PHE 103 H PHE 103 8.824 11.341 -18.171 786 HA PHE 103 HA PHE 103 8.309 9.101 -16.396 787 HB2 PHE 103 2HB PHE 103 7.750 9.686 -19.109 788 HB3 PHE 103 3HB PHE 103 8.819 8.287 -19.099 789 HD1 PHE 103 HD1 PHE 103 5.487 9.360 -18.883 790 HD2 PHE 103 HD2 PHE 103 8.161 6.399 -17.403 791 HE1 PHE 103 HE1 PHE 103 3.574 7.912 -18.337 792 HE2 PHE 103 HE2 PHE 103 6.253 4.945 -16.856 793 HZ PHE 103 HZ PHE 103 3.957 5.700 -17.324 794 H LEU 104 H LEU 104 10.949 10.532 -18.125 795 HA LEU 104 HA LEU 104 12.649 8.197 -17.834 796 HB2 LEU 104 2HB LEU 104 13.037 9.340 -19.831 797 HB3 LEU 104 3HB LEU 104 12.986 10.916 -19.044 798 HG LEU 104 HG LEU 104 15.162 10.392 -17.969 799 HD11 LEU 104 1HD1 LEU 104 16.379 8.486 -18.422 800 HD12 LEU 104 2HD1 LEU 104 15.473 8.127 -19.892 801 HD13 LEU 104 3HD1 LEU 104 14.737 7.852 -18.314 802 HD21 LEU 104 1HD2 LEU 104 16.423 11.036 -19.803 803 HD22 LEU 104 2HD2 LEU 104 14.798 11.554 -20.254 804 HD23 LEU 104 3HD2 LEU 104 15.470 10.068 -20.928 805 H THR 105 H THR 105 11.797 10.937 -16.023 806 HA THR 105 HA THR 105 14.145 10.556 -14.280 807 HB THR 105 HB THR 105 12.635 13.119 -14.161 808 HG1 THR 105 HG1 THR 105 13.259 12.443 -16.466 809 HG21 THR 105 1HG2 THR 105 14.468 12.668 -12.606 810 HG22 THR 105 2HG2 THR 105 14.871 14.006 -13.682 811 HG23 THR 105 3HG2 THR 105 15.564 12.409 -13.962 812 H ARG 106 H ARG 106 11.019 9.810 -14.510 813 HA ARG 106 HA ARG 106 9.253 9.540 -13.067 814 HB2 ARG 106 2HB ARG 106 9.784 8.145 -11.238 815 HB3 ARG 106 3HB ARG 106 11.011 7.806 -12.451 816 HG2 ARG 106 2HG ARG 106 12.630 9.116 -11.275 817 HG3 ARG 106 3HG ARG 106 11.407 9.692 -10.140 818 HD2 ARG 106 2HD ARG 106 12.078 6.778 -10.464 819 HD3 ARG 106 3HD ARG 106 12.930 7.828 -9.332 820 HE ARG 106 HE ARG 106 10.298 6.737 -9.030 821 HH11 ARG 106 1HH1 ARG 106 12.393 9.380 -8.165 822 HH12 ARG 106 2HH1 ARG 106 11.538 9.752 -6.705 823 HH21 ARG 106 1HH2 ARG 106 9.164 7.217 -7.110 824 HH22 ARG 106 2HH2 ARG 106 9.701 8.520 -6.105 Start of MODEL 3 1 H GLN 1 H GLN 1 5.802 -3.937 -8.181 2 HA GLN 1 HA GLN 1 4.473 -4.172 -10.329 3 HB2 GLN 1 2HB GLN 1 4.002 -6.553 -9.926 4 HB3 GLN 1 3HB GLN 1 3.009 -6.121 -8.540 5 HG2 GLN 1 2HG GLN 1 2.016 -4.637 -10.700 6 HG3 GLN 1 3HG GLN 1 2.302 -6.266 -11.309 7 HE21 GLN 1 1HE2 GLN 1 1.644 -7.947 -9.465 8 HE22 GLN 1 2HE2 GLN 1 0.027 -7.733 -8.895 9 H ALA 2 H ALA 2 4.268 -1.993 -9.716 10 HA ALA 2 HA ALA 2 2.022 -1.419 -7.896 11 HB1 ALA 2 1HB ALA 2 4.586 -0.503 -7.694 12 HB2 ALA 2 2HB ALA 2 3.786 0.821 -8.543 13 HB3 ALA 2 3HB ALA 2 3.170 0.273 -6.984 14 H ALA 3 H ALA 3 1.780 -2.102 -10.709 15 HA ALA 3 HA ALA 3 1.099 0.424 -12.000 16 HB1 ALA 3 1HB ALA 3 2.001 -0.782 -13.672 17 HB2 ALA 3 2HB ALA 3 1.627 -2.325 -12.904 18 HB3 ALA 3 3HB ALA 3 0.377 -1.459 -13.798 19 H SER 4 H SER 4 -0.936 1.127 -12.365 20 HA SER 4 HA SER 4 -3.254 -0.432 -12.433 21 HB2 SER 4 2HB SER 4 -2.333 0.267 -9.752 22 HB3 SER 4 3HB SER 4 -3.970 0.838 -10.075 23 HG SER 4 HG SER 4 -4.088 -1.252 -9.293 24 H VAL 5 H VAL 5 -4.041 0.844 -14.010 25 HA VAL 5 HA VAL 5 -4.053 3.738 -13.696 26 HB VAL 5 HB VAL 5 -4.705 3.886 -15.963 27 HG11 VAL 5 1HG1 VAL 5 -2.447 2.441 -15.186 28 HG12 VAL 5 2HG1 VAL 5 -3.113 1.560 -16.562 29 HG13 VAL 5 3HG1 VAL 5 -2.708 3.269 -16.720 30 HG21 VAL 5 1HG2 VAL 5 -5.197 1.637 -17.197 31 HG22 VAL 5 2HG2 VAL 5 -5.625 1.070 -15.583 32 HG23 VAL 5 3HG2 VAL 5 -6.475 2.444 -16.289 33 H GLU 6 H GLU 6 -5.914 5.012 -13.674 34 HA GLU 6 HA GLU 6 -8.517 3.736 -13.561 35 HB2 GLU 6 2HB GLU 6 -7.067 4.598 -11.177 36 HB3 GLU 6 3HB GLU 6 -8.648 5.352 -11.320 37 HG2 GLU 6 2HG GLU 6 -9.258 3.493 -10.192 38 HG3 GLU 6 3HG GLU 6 -9.374 2.855 -11.831 39 HA PRO 7 HA PRO 7 -9.989 7.533 -15.190 40 HB2 PRO 7 2HB PRO 7 -12.360 7.891 -13.918 41 HB3 PRO 7 3HB PRO 7 -12.108 6.647 -15.148 42 HG2 PRO 7 2HG PRO 7 -12.085 6.394 -12.165 43 HG3 PRO 7 3HG PRO 7 -12.820 5.324 -13.373 44 HD2 PRO 7 2HD PRO 7 -10.446 4.774 -12.194 45 HD3 PRO 7 3HD PRO 7 -10.819 4.290 -13.861 46 H TYR 8 H TYR 8 -9.475 9.604 -14.867 47 HA TYR 8 HA TYR 8 -8.822 10.520 -12.203 48 HB2 TYR 8 2HB TYR 8 -7.994 11.161 -14.843 49 HB3 TYR 8 3HB TYR 8 -8.670 12.624 -14.136 50 HD1 TYR 8 HD1 TYR 8 -6.745 13.923 -13.779 51 HD2 TYR 8 HD2 TYR 8 -6.851 9.908 -12.374 52 HE1 TYR 8 HE1 TYR 8 -4.647 14.303 -12.554 53 HE2 TYR 8 HE2 TYR 8 -4.753 10.277 -11.144 54 HH TYR 8 HH TYR 8 -3.067 11.683 -10.761 55 H SER 9 H SER 9 -9.401 13.148 -12.171 56 HA SER 9 HA SER 9 -11.957 13.942 -12.962 57 HB2 SER 9 2HB SER 9 -13.408 13.209 -11.395 58 HB3 SER 9 3HB SER 9 -12.180 11.997 -11.031 59 HG SER 9 HG SER 9 -13.122 13.765 -9.390 60 H ASP 10 H ASP 10 -12.636 15.959 -11.968 61 HA ASP 10 HA ASP 10 -10.620 17.799 -11.633 62 HB2 ASP 10 2HB ASP 10 -12.435 19.178 -10.419 63 HB3 ASP 10 3HB ASP 10 -12.739 18.688 -12.083 64 H ALA 11 H ALA 11 -12.402 16.060 -9.106 65 HA ALA 11 HA ALA 11 -10.815 17.259 -7.006 66 HB1 ALA 11 1HB ALA 11 -12.816 16.886 -6.055 67 HB2 ALA 11 2HB ALA 11 -13.215 15.573 -7.163 68 HB3 ALA 11 3HB ALA 11 -12.175 15.268 -5.772 69 H ALA 12 H ALA 12 -10.557 14.582 -9.079 70 HA ALA 12 HA ALA 12 -9.031 12.908 -7.296 71 HB1 ALA 12 1HB ALA 12 -9.057 12.580 -10.269 72 HB2 ALA 12 2HB ALA 12 -8.968 11.350 -9.008 73 HB3 ALA 12 3HB ALA 12 -10.488 12.192 -9.314 74 H PHE 13 H PHE 13 -8.355 15.149 -9.940 75 HA PHE 13 HA PHE 13 -5.678 14.662 -10.371 76 HB2 PHE 13 2HB PHE 13 -7.428 16.487 -11.314 77 HB3 PHE 13 3HB PHE 13 -6.458 17.518 -10.267 78 HD1 PHE 13 HD1 PHE 13 -6.791 16.356 -13.504 79 HD2 PHE 13 HD2 PHE 13 -3.821 17.052 -10.535 80 HE1 PHE 13 HE1 PHE 13 -5.076 16.514 -15.261 81 HE2 PHE 13 HE2 PHE 13 -2.101 17.212 -12.288 82 HZ PHE 13 HZ PHE 13 -2.728 16.944 -14.655 83 H THR 14 H THR 14 -7.207 16.301 -7.696 84 HA THR 14 HA THR 14 -4.710 17.303 -6.632 85 HB THR 14 HB THR 14 -6.346 17.714 -4.582 86 HG1 THR 14 HG1 THR 14 -8.002 16.476 -5.942 87 HG21 THR 14 1HG2 THR 14 -7.209 19.625 -6.490 88 HG22 THR 14 2HG2 THR 14 -5.543 19.200 -6.880 89 HG23 THR 14 3HG2 THR 14 -5.948 19.793 -5.270 90 H GLN 15 H GLN 15 -7.095 14.818 -5.764 91 HA GLN 15 HA GLN 15 -5.865 13.914 -3.424 92 HB2 GLN 15 2HB GLN 15 -7.456 12.294 -3.413 93 HB3 GLN 15 3HB GLN 15 -8.164 13.305 -4.666 94 HG2 GLN 15 2HG GLN 15 -7.087 11.904 -6.375 95 HG3 GLN 15 3HG GLN 15 -6.450 10.869 -5.097 96 HE21 GLN 15 1HE2 GLN 15 -9.622 12.382 -5.524 97 HE22 GLN 15 2HE2 GLN 15 -10.524 10.909 -5.488 98 H ALA 16 H ALA 16 -5.006 13.475 -6.727 99 HA ALA 16 HA ALA 16 -3.435 11.106 -6.364 100 HB1 ALA 16 1HB ALA 16 -2.482 11.899 -8.644 101 HB2 ALA 16 2HB ALA 16 -4.156 11.349 -8.547 102 HB3 ALA 16 3HB ALA 16 -3.796 13.075 -8.584 103 H GLN 17 H GLN 17 -2.751 14.576 -6.544 104 HA GLN 17 HA GLN 17 0.086 14.142 -6.143 105 HB2 GLN 17 2HB GLN 17 0.346 16.481 -6.445 106 HB3 GLN 17 3HB GLN 17 -0.873 15.969 -7.605 107 HG2 GLN 17 2HG GLN 17 -2.633 16.798 -6.156 108 HG3 GLN 17 3HG GLN 17 -1.438 17.263 -4.947 109 HE21 GLN 17 1HE2 GLN 17 0.265 18.789 -5.749 110 HE22 GLN 17 2HE2 GLN 17 -0.249 20.060 -6.799 111 H ALA 18 H ALA 18 -2.691 14.598 -4.223 112 HA ALA 18 HA ALA 18 -1.279 15.724 -1.956 113 HB1 ALA 18 1HB ALA 18 -3.573 16.404 -2.351 114 HB2 ALA 18 2HB ALA 18 -4.115 14.731 -2.216 115 HB3 ALA 18 3HB ALA 18 -3.446 15.556 -0.809 116 H SER 19 H SER 19 -1.155 12.801 -3.270 117 HA SER 19 HA SER 19 -1.347 11.300 -0.757 118 HB2 SER 19 2HB SER 19 -2.335 10.593 -3.132 119 HB3 SER 19 3HB SER 19 -0.709 9.943 -3.334 120 HG SER 19 HG SER 19 -1.632 8.309 -2.328 121 H GLY 20 H GLY 20 0.896 13.065 -2.293 122 HA2 GLY 20 2HA GLY 20 3.192 13.123 -2.310 123 HA3 GLY 20 3HA GLY 20 3.074 12.189 -0.826 124 H ALA 21 H ALA 21 1.793 10.892 -3.775 125 HA ALA 21 HA ALA 21 4.120 9.093 -3.971 126 HB1 ALA 21 1HB ALA 21 2.817 7.332 -3.631 127 HB2 ALA 21 2HB ALA 21 1.455 8.415 -3.341 128 HB3 ALA 21 3HB ALA 21 1.773 7.814 -4.968 129 HA PRO 22 HA PRO 22 4.388 9.960 -8.264 130 HB2 PRO 22 2HB PRO 22 4.924 7.527 -9.342 131 HB3 PRO 22 3HB PRO 22 6.099 8.431 -8.380 132 HG2 PRO 22 2HG PRO 22 4.314 6.173 -7.557 133 HG3 PRO 22 3HG PRO 22 6.021 6.449 -7.166 134 HD2 PRO 22 2HD PRO 22 4.020 7.018 -5.434 135 HD3 PRO 22 3HD PRO 22 5.526 7.957 -5.495 136 H VAL 23 H VAL 23 2.824 10.441 -9.660 137 HA VAL 23 HA VAL 23 0.995 8.390 -10.595 138 HB VAL 23 HB VAL 23 -0.030 10.896 -9.255 139 HG11 VAL 23 1HG1 VAL 23 -2.256 10.086 -9.820 140 HG12 VAL 23 2HG1 VAL 23 -1.298 10.344 -11.279 141 HG13 VAL 23 3HG1 VAL 23 -1.554 8.709 -10.668 142 HG21 VAL 23 1HG2 VAL 23 -0.321 7.981 -8.536 143 HG22 VAL 23 2HG2 VAL 23 0.595 9.198 -7.647 144 HG23 VAL 23 3HG2 VAL 23 -1.162 9.311 -7.739 145 H LEU 24 H LEU 24 0.760 8.605 -12.717 146 HA LEU 24 HA LEU 24 1.475 11.162 -13.958 147 HB2 LEU 24 2HB LEU 24 2.342 8.682 -14.536 148 HB3 LEU 24 3HB LEU 24 0.966 8.784 -15.632 149 HG LEU 24 HG LEU 24 2.435 11.169 -15.957 150 HD11 LEU 24 1HD1 LEU 24 4.355 10.162 -14.928 151 HD12 LEU 24 2HD1 LEU 24 4.623 10.240 -16.670 152 HD13 LEU 24 3HD1 LEU 24 4.178 8.710 -15.914 153 HD21 LEU 24 1HD2 LEU 24 1.817 8.731 -17.557 154 HD22 LEU 24 2HD2 LEU 24 2.978 9.899 -18.188 155 HD23 LEU 24 3HD2 LEU 24 1.329 10.406 -17.817 156 H VAL 25 H VAL 25 0.177 12.087 -15.596 157 HA VAL 25 HA VAL 25 -2.627 11.177 -15.591 158 HB VAL 25 HB VAL 25 -1.741 14.053 -15.815 159 HG11 VAL 25 1HG1 VAL 25 -3.818 14.090 -16.731 160 HG12 VAL 25 2HG1 VAL 25 -4.340 12.633 -15.883 161 HG13 VAL 25 3HG1 VAL 25 -4.285 14.178 -15.033 162 HG21 VAL 25 1HG2 VAL 25 -2.798 14.179 -13.479 163 HG22 VAL 25 2HG2 VAL 25 -2.562 12.432 -13.426 164 HG23 VAL 25 3HG2 VAL 25 -1.174 13.504 -13.614 165 H ASP 26 H ASP 26 -3.611 10.972 -17.522 166 HA ASP 26 HA ASP 26 -2.437 12.203 -19.892 167 HB2 ASP 26 2HB ASP 26 -1.749 9.627 -19.293 168 HB3 ASP 26 3HB ASP 26 -3.162 9.382 -20.314 169 H VAL 27 H VAL 27 -4.100 13.310 -20.684 170 HA VAL 27 HA VAL 27 -6.823 12.500 -20.293 171 HB VAL 27 HB VAL 27 -5.921 14.637 -22.209 172 HG11 VAL 27 1HG1 VAL 27 -8.370 14.374 -20.467 173 HG12 VAL 27 2HG1 VAL 27 -8.043 15.669 -21.620 174 HG13 VAL 27 3HG1 VAL 27 -8.298 14.020 -22.193 175 HG21 VAL 27 1HG2 VAL 27 -5.520 14.528 -19.335 176 HG22 VAL 27 2HG2 VAL 27 -4.888 15.670 -20.521 177 HG23 VAL 27 3HG2 VAL 27 -6.490 15.917 -19.826 178 H TYR 28 H TYR 28 -8.221 11.583 -21.716 179 HA TYR 28 HA TYR 28 -7.198 10.922 -24.395 180 HB2 TYR 28 2HB TYR 28 -7.964 9.120 -22.257 181 HB3 TYR 28 3HB TYR 28 -8.942 8.852 -23.695 182 HD1 TYR 28 HD1 TYR 28 -8.161 6.991 -24.815 183 HD2 TYR 28 HD2 TYR 28 -5.344 9.751 -23.216 184 HE1 TYR 28 HE1 TYR 28 -6.329 5.696 -25.823 185 HE2 TYR 28 HE2 TYR 28 -3.505 8.464 -24.221 186 HH TYR 28 HH TYR 28 -3.563 5.536 -25.078 187 H ALA 29 H ALA 29 -8.891 10.420 -25.971 188 HA ALA 29 HA ALA 29 -11.506 11.591 -25.317 189 HB1 ALA 29 1HB ALA 29 -10.808 13.410 -26.456 190 HB2 ALA 29 2HB ALA 29 -9.565 12.519 -27.334 191 HB3 ALA 29 3HB ALA 29 -11.247 12.431 -27.856 192 H ASP 30 H ASP 30 -13.058 11.202 -27.255 193 HA ASP 30 HA ASP 30 -13.607 8.534 -27.492 194 HB2 ASP 30 2HB ASP 30 -14.532 10.963 -28.736 195 HB3 ASP 30 3HB ASP 30 -14.478 9.663 -29.922 196 H TRP 31 H TRP 31 -11.587 10.500 -29.618 197 HA TRP 31 HA TRP 31 -9.910 8.408 -30.376 198 HB2 TRP 31 2HB TRP 31 -10.668 8.231 -32.812 199 HB3 TRP 31 3HB TRP 31 -11.641 7.382 -31.614 200 HD1 TRP 31 HD1 TRP 31 -11.930 11.149 -32.404 201 HE1 TRP 31 HE1 TRP 31 -14.311 11.607 -33.267 202 HE3 TRP 31 HE3 TRP 31 -13.657 6.342 -32.614 203 HZ2 TRP 31 HZ2 TRP 31 -16.617 10.127 -33.945 204 HZ3 TRP 31 HZ3 TRP 31 -15.962 5.949 -33.380 205 HH2 TRP 31 HH2 TRP 31 -17.410 7.804 -34.031 206 H CYS 32 H CYS 32 -9.301 10.863 -29.590 207 HA CYS 32 HA CYS 32 -8.968 12.704 -31.765 208 HB2 CYS 32 2HB CYS 32 -8.331 12.649 -28.875 209 HB3 CYS 32 3HB CYS 32 -7.286 13.652 -29.873 210 HG CYS 32 HG CYS 32 -10.693 13.951 -29.753 211 HA PRO 33 HA PRO 33 -5.064 11.533 -33.379 212 HB2 PRO 33 2HB PRO 33 -3.767 13.902 -33.657 213 HB3 PRO 33 3HB PRO 33 -5.122 13.422 -34.686 214 HG2 PRO 33 2HG PRO 33 -5.103 15.231 -32.300 215 HG3 PRO 33 3HG PRO 33 -5.939 15.433 -33.851 216 HD2 PRO 33 2HD PRO 33 -7.198 14.557 -31.619 217 HD3 PRO 33 3HD PRO 33 -7.661 14.024 -33.248 218 H VAL 34 H VAL 34 -5.050 13.484 -30.475 219 HA VAL 34 HA VAL 34 -2.277 13.137 -29.880 220 HB VAL 34 HB VAL 34 -4.547 13.883 -28.031 221 HG11 VAL 34 1HG1 VAL 34 -3.076 13.915 -26.368 222 HG12 VAL 34 2HG1 VAL 34 -1.879 13.203 -27.452 223 HG13 VAL 34 3HG1 VAL 34 -1.997 14.956 -27.296 224 HG21 VAL 34 1HG2 VAL 34 -2.924 15.411 -29.977 225 HG22 VAL 34 2HG2 VAL 34 -4.583 15.665 -29.438 226 HG23 VAL 34 3HG2 VAL 34 -3.237 16.179 -28.421 227 H CYS 35 H CYS 35 -5.253 11.695 -28.552 228 HA CYS 35 HA CYS 35 -3.841 9.831 -26.917 229 HB2 CYS 35 2HB CYS 35 -5.986 8.936 -26.358 230 HB3 CYS 35 3HB CYS 35 -6.173 10.681 -26.482 231 HG CYS 35 HG CYS 35 -7.129 8.399 -28.848 232 H LYS 36 H LYS 36 -4.823 9.891 -30.208 233 HA LYS 36 HA LYS 36 -4.714 7.015 -30.546 234 HB2 LYS 36 2HB LYS 36 -6.309 8.309 -31.868 235 HB3 LYS 36 3HB LYS 36 -4.997 9.248 -32.566 236 HG2 LYS 36 2HG LYS 36 -4.101 7.103 -33.514 237 HG3 LYS 36 3HG LYS 36 -5.603 6.335 -32.992 238 HD2 LYS 36 2HD LYS 36 -5.575 8.782 -34.739 239 HD3 LYS 36 3HD LYS 36 -5.493 7.150 -35.405 240 HE2 LYS 36 2HE LYS 36 -7.613 7.504 -33.428 241 HE3 LYS 36 3HE LYS 36 -7.792 8.538 -34.844 242 HZ1 LYS 36 1HZ LYS 36 -8.878 6.613 -35.458 243 HZ2 LYS 36 2HZ LYS 36 -7.761 5.596 -34.697 244 HZ3 LYS 36 3HZ LYS 36 -7.346 6.378 -36.138 245 H ARG 37 H ARG 37 -2.658 9.796 -31.030 246 HA ARG 37 HA ARG 37 -0.669 8.258 -32.484 247 HB2 ARG 37 2HB ARG 37 -1.097 10.602 -33.102 248 HB3 ARG 37 3HB ARG 37 -0.598 11.114 -31.495 249 HG2 ARG 37 2HG ARG 37 1.647 10.464 -31.888 250 HG3 ARG 37 3HG ARG 37 1.209 9.620 -33.375 251 HD2 ARG 37 2HD ARG 37 0.290 12.090 -33.937 252 HD3 ARG 37 3HD ARG 37 1.637 12.495 -32.874 253 HE ARG 37 HE ARG 37 2.521 10.633 -34.771 254 HH11 ARG 37 1HH1 ARG 37 1.445 13.939 -34.583 255 HH12 ARG 37 2HH1 ARG 37 2.379 14.457 -35.947 256 HH21 ARG 37 1HH2 ARG 37 3.756 11.303 -36.568 257 HH22 ARG 37 2HH2 ARG 37 3.693 12.957 -37.076 258 H GLN 38 H GLN 38 -1.351 9.257 -29.250 259 HA GLN 38 HA GLN 38 1.338 8.865 -28.283 260 HB2 GLN 38 2HB GLN 38 0.531 9.506 -26.173 261 HB3 GLN 38 3HB GLN 38 -0.409 10.464 -27.309 262 HG2 GLN 38 2HG GLN 38 -2.087 9.765 -25.965 263 HG3 GLN 38 3HG GLN 38 -2.067 8.414 -27.097 264 HE21 GLN 38 1HE2 GLN 38 -1.103 9.501 -23.916 265 HE22 GLN 38 2HE2 GLN 38 -0.900 7.929 -23.228 266 H GLU 39 H GLU 39 -1.442 6.927 -28.830 267 HA GLU 39 HA GLU 39 -1.094 4.918 -26.911 268 HB2 GLU 39 2HB GLU 39 -3.121 5.063 -28.232 269 HB3 GLU 39 3HB GLU 39 -2.220 4.756 -29.710 270 HG2 GLU 39 2HG GLU 39 -2.100 2.533 -29.345 271 HG3 GLU 39 3HG GLU 39 -1.998 2.713 -27.595 272 H ARG 40 H ARG 40 0.643 5.623 -29.818 273 HA ARG 40 HA ARG 40 1.849 3.021 -30.061 274 HB2 ARG 40 2HB ARG 40 1.514 4.423 -32.038 275 HB3 ARG 40 3HB ARG 40 2.562 5.658 -31.355 276 HG2 ARG 40 2HG ARG 40 3.655 4.272 -33.084 277 HG3 ARG 40 3HG ARG 40 4.469 4.216 -31.519 278 HD2 ARG 40 2HD ARG 40 3.401 2.081 -31.028 279 HD3 ARG 40 3HD ARG 40 2.545 2.144 -32.568 280 HE ARG 40 HE ARG 40 5.152 2.325 -33.286 281 HH11 ARG 40 1HH1 ARG 40 3.344 0.098 -31.312 282 HH12 ARG 40 2HH1 ARG 40 4.360 -1.256 -31.680 283 HH21 ARG 40 1HH2 ARG 40 6.497 0.549 -33.778 284 HH22 ARG 40 2HH2 ARG 40 6.154 -0.998 -33.082 285 H GLU 41 H GLU 41 2.601 6.044 -28.498 286 HA GLU 41 HA GLU 41 5.342 5.284 -27.944 287 HB2 GLU 41 2HB GLU 41 3.652 7.678 -27.271 288 HB3 GLU 41 3HB GLU 41 5.217 7.429 -26.510 289 HG2 GLU 41 2HG GLU 41 5.163 7.222 -29.448 290 HG3 GLU 41 3HG GLU 41 4.860 8.822 -28.772 291 H LEU 42 H LEU 42 2.399 4.474 -26.678 292 HA LEU 42 HA LEU 42 2.769 4.625 -23.906 293 HB2 LEU 42 2HB LEU 42 0.604 4.148 -24.637 294 HB3 LEU 42 3HB LEU 42 1.149 2.835 -25.680 295 HG LEU 42 HG LEU 42 1.643 1.496 -23.646 296 HD11 LEU 42 1HD1 LEU 42 1.912 3.469 -22.140 297 HD12 LEU 42 2HD1 LEU 42 0.877 2.194 -21.498 298 HD13 LEU 42 3HD1 LEU 42 0.159 3.659 -22.167 299 HD21 LEU 42 1HD2 LEU 42 -1.213 2.389 -23.538 300 HD22 LEU 42 2HD2 LEU 42 -0.544 0.765 -23.377 301 HD23 LEU 42 3HD2 LEU 42 -0.582 1.551 -24.956 302 H THR 43 H THR 43 4.320 2.692 -26.235 303 HA THR 43 HA THR 43 4.979 0.499 -24.490 304 HB THR 43 HB THR 43 6.815 0.573 -26.637 305 HG1 THR 43 HG1 THR 43 5.267 0.742 -28.391 306 HG21 THR 43 1HG2 THR 43 5.846 -1.471 -27.222 307 HG22 THR 43 2HG2 THR 43 4.248 -0.981 -26.659 308 HG23 THR 43 3HG2 THR 43 5.521 -1.343 -25.494 309 HA PRO 44 HA PRO 44 9.353 2.519 -24.525 310 HB2 PRO 44 2HB PRO 44 9.629 4.932 -25.740 311 HB3 PRO 44 3HB PRO 44 9.822 3.397 -26.596 312 HG2 PRO 44 2HG PRO 44 7.455 5.228 -26.500 313 HG3 PRO 44 3HG PRO 44 8.156 4.376 -27.889 314 HD2 PRO 44 2HD PRO 44 5.950 3.485 -26.594 315 HD3 PRO 44 3HD PRO 44 7.123 2.387 -27.350 316 H LEU 45 H LEU 45 6.722 4.900 -24.475 317 HA LEU 45 HA LEU 45 7.879 6.568 -22.498 318 HB2 LEU 45 2HB LEU 45 6.112 7.296 -24.048 319 HB3 LEU 45 3HB LEU 45 4.976 6.220 -23.236 320 HG LEU 45 HG LEU 45 6.208 8.040 -21.359 321 HD11 LEU 45 1HD1 LEU 45 5.424 10.114 -22.150 322 HD12 LEU 45 2HD1 LEU 45 4.550 9.366 -23.486 323 HD13 LEU 45 3HD1 LEU 45 6.313 9.399 -23.495 324 HD21 LEU 45 1HD2 LEU 45 3.805 8.555 -20.923 325 HD22 LEU 45 2HD2 LEU 45 4.209 6.840 -20.834 326 HD23 LEU 45 3HD2 LEU 45 3.387 7.481 -22.258 327 H PHE 46 H PHE 46 6.165 3.585 -22.362 328 HA PHE 46 HA PHE 46 5.922 3.842 -19.437 329 HB2 PHE 46 2HB PHE 46 3.824 3.446 -20.920 330 HB3 PHE 46 3HB PHE 46 4.425 1.796 -21.047 331 HD1 PHE 46 HD1 PHE 46 3.245 4.373 -18.684 332 HD2 PHE 46 HD2 PHE 46 4.171 0.261 -19.276 333 HE1 PHE 46 HE1 PHE 46 2.187 3.828 -16.530 334 HE2 PHE 46 HE2 PHE 46 3.115 -0.291 -17.124 335 HZ PHE 46 HZ PHE 46 2.120 1.494 -15.748 336 H ALA 47 H ALA 47 8.084 2.808 -21.447 337 HA ALA 47 HA ALA 47 8.421 0.088 -20.448 338 HB1 ALA 47 1HB ALA 47 9.206 -0.196 -22.508 339 HB2 ALA 47 2HB ALA 47 9.273 1.544 -22.791 340 HB3 ALA 47 3HB ALA 47 10.629 0.724 -22.017 341 H GLN 48 H GLN 48 9.202 3.145 -19.444 342 HA GLN 48 HA GLN 48 11.880 2.864 -18.600 343 HB2 GLN 48 2HB GLN 48 9.781 4.557 -17.248 344 HB3 GLN 48 3HB GLN 48 11.519 4.824 -17.283 345 HG2 GLN 48 2HG GLN 48 9.561 5.129 -19.540 346 HG3 GLN 48 3HG GLN 48 10.536 6.379 -18.769 347 HE21 GLN 48 1HE2 GLN 48 10.427 5.800 -21.551 348 HE22 GLN 48 2HE2 GLN 48 12.008 5.307 -22.041 349 HA PRO 49 HA PRO 49 11.621 0.252 -15.082 350 HB2 PRO 49 2HB PRO 49 13.620 1.267 -13.550 351 HB3 PRO 49 3HB PRO 49 13.916 0.325 -15.017 352 HG2 PRO 49 2HG PRO 49 13.941 3.294 -14.634 353 HG3 PRO 49 3HG PRO 49 15.069 2.274 -15.546 354 HD2 PRO 49 2HD PRO 49 13.098 3.696 -16.741 355 HD3 PRO 49 3HD PRO 49 13.666 2.136 -17.370 356 H ALA 50 H ALA 50 10.900 3.551 -14.929 357 HA ALA 50 HA ALA 50 10.327 3.581 -12.078 358 HB1 ALA 50 1HB ALA 50 11.243 5.542 -13.518 359 HB2 ALA 50 2HB ALA 50 9.549 5.779 -13.947 360 HB3 ALA 50 3HB ALA 50 10.052 5.866 -12.258 361 H GLN 51 H GLN 51 8.737 2.824 -14.994 362 HA GLN 51 HA GLN 51 6.090 3.559 -14.334 363 HB2 GLN 51 2HB GLN 51 5.412 2.253 -16.188 364 HB3 GLN 51 3HB GLN 51 6.982 2.917 -16.621 365 HG2 GLN 51 2HG GLN 51 7.513 0.837 -17.194 366 HG3 GLN 51 3HG GLN 51 7.659 0.537 -15.463 367 HE21 GLN 51 1HE2 GLN 51 6.423 -0.684 -18.184 368 HE22 GLN 51 2HE2 GLN 51 5.065 -1.547 -17.556 369 H ARG 52 H ARG 52 8.124 1.182 -13.067 370 HA ARG 52 HA ARG 52 6.043 -0.694 -12.356 371 HB2 ARG 52 2HB ARG 52 8.191 -1.640 -12.770 372 HB3 ARG 52 3HB ARG 52 8.975 -0.504 -11.681 373 HG2 ARG 52 2HG ARG 52 8.813 -2.742 -10.715 374 HG3 ARG 52 3HG ARG 52 7.910 -1.553 -9.774 375 HD2 ARG 52 2HD ARG 52 6.046 -2.734 -10.014 376 HD3 ARG 52 3HD ARG 52 6.196 -2.658 -11.769 377 HE ARG 52 HE ARG 52 6.891 -4.869 -10.056 378 HH11 ARG 52 1HH1 ARG 52 7.366 -3.361 -13.158 379 HH12 ARG 52 2HH1 ARG 52 7.864 -4.825 -13.939 380 HH21 ARG 52 1HH2 ARG 52 7.544 -6.803 -11.074 381 HH22 ARG 52 2HH2 ARG 52 7.964 -6.783 -12.753 382 H ASP 53 H ASP 53 7.618 2.058 -10.953 383 HA ASP 53 HA ASP 53 6.149 1.595 -8.440 384 HB2 ASP 53 2HB ASP 53 8.900 2.515 -8.969 385 HB3 ASP 53 3HB ASP 53 8.025 3.453 -7.762 386 H LEU 54 H LEU 54 5.808 3.181 -11.173 387 HA LEU 54 HA LEU 54 4.807 5.636 -9.887 388 HB2 LEU 54 2HB LEU 54 6.751 5.773 -11.581 389 HB3 LEU 54 3HB LEU 54 5.512 5.455 -12.794 390 HG LEU 54 HG LEU 54 4.487 7.562 -11.301 391 HD11 LEU 54 1HD1 LEU 54 6.102 9.000 -10.695 392 HD12 LEU 54 2HD1 LEU 54 7.136 8.579 -12.060 393 HD13 LEU 54 3HD1 LEU 54 7.107 7.552 -10.627 394 HD21 LEU 54 1HD2 LEU 54 4.536 7.045 -13.815 395 HD22 LEU 54 2HD2 LEU 54 6.062 7.929 -13.827 396 HD23 LEU 54 3HD2 LEU 54 4.579 8.736 -13.315 397 H ARG 55 H ARG 55 2.687 5.981 -10.004 398 HA ARG 55 HA ARG 55 0.982 4.100 -11.319 399 HB2 ARG 55 2HB ARG 55 0.462 6.642 -9.784 400 HB3 ARG 55 3HB ARG 55 -0.833 5.712 -10.528 401 HG2 ARG 55 2HG ARG 55 -0.086 3.742 -9.193 402 HG3 ARG 55 3HG ARG 55 1.042 4.811 -8.356 403 HD2 ARG 55 2HD ARG 55 -0.573 5.468 -6.983 404 HD3 ARG 55 3HD ARG 55 -1.526 6.034 -8.355 405 HE ARG 55 HE ARG 55 -1.912 3.314 -8.261 406 HH11 ARG 55 1HH1 ARG 55 -2.414 6.003 -6.108 407 HH12 ARG 55 2HH1 ARG 55 -3.764 5.275 -5.303 408 HH21 ARG 55 1HH2 ARG 55 -3.689 2.345 -7.209 409 HH22 ARG 55 2HH2 ARG 55 -4.488 3.194 -5.930 410 H VAL 56 H VAL 56 -0.631 4.606 -12.912 411 HA VAL 56 HA VAL 56 -0.058 6.966 -14.564 412 HB VAL 56 HB VAL 56 1.109 5.321 -15.768 413 HG11 VAL 56 1HG1 VAL 56 -0.881 3.538 -14.637 414 HG12 VAL 56 2HG1 VAL 56 -0.584 3.212 -16.346 415 HG13 VAL 56 3HG1 VAL 56 0.755 3.195 -15.197 416 HG21 VAL 56 1HG2 VAL 56 0.010 5.270 -17.829 417 HG22 VAL 56 2HG2 VAL 56 -1.583 5.147 -17.083 418 HG23 VAL 56 3HG2 VAL 56 -0.691 6.667 -17.011 419 H PHE 57 H PHE 57 -1.911 8.065 -14.254 420 HA PHE 57 HA PHE 57 -4.454 6.627 -14.583 421 HB2 PHE 57 2HB PHE 57 -3.727 9.174 -13.156 422 HB3 PHE 57 3HB PHE 57 -5.396 8.812 -13.584 423 HD1 PHE 57 HD1 PHE 57 -6.644 8.000 -11.852 424 HD2 PHE 57 HD2 PHE 57 -2.530 6.936 -12.092 425 HE1 PHE 57 HE1 PHE 57 -6.876 6.653 -9.806 426 HE2 PHE 57 HE2 PHE 57 -2.756 5.587 -10.047 427 HZ PHE 57 HZ PHE 57 -4.931 5.443 -8.902 428 H LYS 58 H LYS 58 -6.214 7.887 -15.654 429 HA LYS 58 HA LYS 58 -5.284 9.803 -17.652 430 HB2 LYS 58 2HB LYS 58 -6.596 7.162 -18.278 431 HB3 LYS 58 3HB LYS 58 -6.608 8.510 -19.407 432 HG2 LYS 58 2HG LYS 58 -4.698 7.695 -20.190 433 HG3 LYS 58 3HG LYS 58 -3.952 8.292 -18.706 434 HD2 LYS 58 2HD LYS 58 -3.785 6.220 -17.800 435 HD3 LYS 58 3HD LYS 58 -5.287 5.660 -18.538 436 HE2 LYS 58 2HE LYS 58 -2.804 6.159 -20.154 437 HE3 LYS 58 3HE LYS 58 -3.102 4.615 -19.357 438 HZ1 LYS 58 1HZ LYS 58 -5.028 5.859 -21.236 439 HZ2 LYS 58 2HZ LYS 58 -5.038 4.276 -20.642 440 HZ3 LYS 58 3HZ LYS 58 -3.837 4.763 -21.729 441 H VAL 59 H VAL 59 -6.759 11.343 -18.126 442 HA VAL 59 HA VAL 59 -9.376 11.120 -16.808 443 HB VAL 59 HB VAL 59 -8.242 13.035 -16.008 444 HG11 VAL 59 1HG1 VAL 59 -6.472 13.288 -17.559 445 HG12 VAL 59 2HG1 VAL 59 -7.588 13.593 -18.892 446 HG13 VAL 59 3HG1 VAL 59 -7.392 14.791 -17.612 447 HG21 VAL 59 1HG2 VAL 59 -9.888 14.330 -18.129 448 HG22 VAL 59 2HG2 VAL 59 -10.670 13.240 -16.984 449 HG23 VAL 59 3HG2 VAL 59 -9.813 14.666 -16.399 450 H ASN 60 H ASN 60 -11.251 11.293 -17.925 451 HA ASN 60 HA ASN 60 -11.041 11.293 -20.843 452 HB2 ASN 60 2HB ASN 60 -13.446 10.632 -19.132 453 HB3 ASN 60 3HB ASN 60 -13.254 10.316 -20.854 454 HD21 ASN 60 1HD2 ASN 60 -13.285 8.872 -17.972 455 HD22 ASN 60 2HD2 ASN 60 -12.229 7.539 -18.273 456 H PHE 61 H PHE 61 -12.335 12.622 -22.153 457 HA PHE 61 HA PHE 61 -12.599 15.277 -21.329 458 HB2 PHE 61 2HB PHE 61 -13.620 15.698 -23.447 459 HB3 PHE 61 3HB PHE 61 -12.417 14.438 -23.703 460 HD1 PHE 61 HD1 PHE 61 -15.881 15.341 -23.951 461 HD2 PHE 61 HD2 PHE 61 -13.179 12.053 -23.888 462 HE1 PHE 61 HE1 PHE 61 -17.607 13.907 -24.960 463 HE2 PHE 61 HE2 PHE 61 -14.900 10.614 -24.897 464 HZ PHE 61 HZ PHE 61 -17.117 11.541 -25.436 465 H ASP 62 H ASP 62 -14.606 12.614 -20.731 466 HA ASP 62 HA ASP 62 -17.068 14.100 -20.473 467 HB2 ASP 62 2HB ASP 62 -16.416 11.299 -19.531 468 HB3 ASP 62 3HB ASP 62 -18.024 12.003 -19.686 469 H THR 63 H THR 63 -14.317 13.719 -18.600 470 HA THR 63 HA THR 63 -15.784 14.220 -16.097 471 HB THR 63 HB THR 63 -12.856 13.552 -16.217 472 HG1 THR 63 HG1 THR 63 -14.186 11.930 -17.343 473 HG21 THR 63 1HG2 THR 63 -13.721 14.342 -14.091 474 HG22 THR 63 2HG2 THR 63 -13.336 12.625 -13.977 475 HG23 THR 63 3HG2 THR 63 -15.013 13.144 -14.143 476 H GLN 64 H GLN 64 -13.588 15.573 -18.390 477 HA GLN 64 HA GLN 64 -13.176 17.904 -16.636 478 HB2 GLN 64 2HB GLN 64 -11.442 16.606 -18.694 479 HB3 GLN 64 3HB GLN 64 -11.291 18.338 -18.430 480 HG2 GLN 64 2HG GLN 64 -10.761 17.978 -16.104 481 HG3 GLN 64 3HG GLN 64 -11.023 16.244 -16.286 482 HE21 GLN 64 1HE2 GLN 64 -8.688 17.002 -15.265 483 HE22 GLN 64 2HE2 GLN 64 -7.408 16.806 -16.407 484 H LYS 65 H LYS 65 -15.402 17.168 -18.568 485 HA LYS 65 HA LYS 65 -15.307 18.782 -20.846 486 HB2 LYS 65 2HB LYS 65 -17.145 17.069 -19.717 487 HB3 LYS 65 3HB LYS 65 -17.948 18.628 -19.589 488 HG2 LYS 65 2HG LYS 65 -17.157 18.800 -22.122 489 HG3 LYS 65 3HG LYS 65 -17.246 17.043 -21.986 490 HD2 LYS 65 2HD LYS 65 -19.438 17.209 -22.339 491 HD3 LYS 65 3HD LYS 65 -19.570 17.990 -20.762 492 HE2 LYS 65 2HE LYS 65 -20.405 19.728 -21.898 493 HE3 LYS 65 3HE LYS 65 -18.734 20.046 -22.360 494 HZ1 LYS 65 1HZ LYS 65 -19.280 18.392 -24.262 495 HZ2 LYS 65 2HZ LYS 65 -19.782 20.003 -24.382 496 HZ3 LYS 65 3HZ LYS 65 -20.886 18.804 -23.928 497 H ALA 66 H ALA 66 -15.479 19.656 -17.567 498 HA ALA 66 HA ALA 66 -16.777 22.207 -18.015 499 HB1 ALA 66 1HB ALA 66 -16.916 20.754 -15.891 500 HB2 ALA 66 2HB ALA 66 -15.343 21.449 -15.497 501 HB3 ALA 66 3HB ALA 66 -16.743 22.500 -15.709 502 H ALA 67 H ALA 67 -13.713 20.994 -18.493 503 HA ALA 67 HA ALA 67 -12.226 23.343 -17.708 504 HB1 ALA 67 1HB ALA 67 -10.944 21.438 -19.539 505 HB2 ALA 67 2HB ALA 67 -10.385 22.088 -17.998 506 HB3 ALA 67 3HB ALA 67 -11.527 20.745 -18.025 507 H LEU 68 H LEU 68 -13.022 21.763 -20.804 508 HA LEU 68 HA LEU 68 -12.084 24.040 -22.310 509 HB2 LEU 68 2HB LEU 68 -13.172 22.659 -24.220 510 HB3 LEU 68 3HB LEU 68 -11.682 22.097 -23.464 511 HG LEU 68 HG LEU 68 -13.490 20.366 -23.956 512 HD11 LEU 68 1HD1 LEU 68 -11.727 20.702 -21.707 513 HD12 LEU 68 2HD1 LEU 68 -12.123 19.244 -22.617 514 HD13 LEU 68 3HD1 LEU 68 -13.136 19.739 -21.261 515 HD21 LEU 68 1HD2 LEU 68 -15.289 21.905 -22.978 516 HD22 LEU 68 2HD2 LEU 68 -14.710 21.364 -21.402 517 HD23 LEU 68 3HD2 LEU 68 -15.353 20.194 -22.556 518 H GLN 69 H GLN 69 -14.990 23.097 -20.824 519 HA GLN 69 HA GLN 69 -16.702 24.617 -22.609 520 HB2 GLN 69 2HB GLN 69 -17.523 22.527 -21.598 521 HB3 GLN 69 3HB GLN 69 -17.338 23.231 -19.998 522 HG2 GLN 69 2HG GLN 69 -19.634 23.348 -20.589 523 HG3 GLN 69 3HG GLN 69 -18.978 24.982 -20.650 524 HE21 GLN 69 1HE2 GLN 69 -19.398 26.132 -22.394 525 HE22 GLN 69 2HE2 GLN 69 -19.920 25.510 -23.919 526 H GLN 70 H GLN 70 -15.057 25.007 -19.573 527 HA GLN 70 HA GLN 70 -16.499 27.474 -18.978 528 HB2 GLN 70 2HB GLN 70 -16.069 25.919 -17.133 529 HB3 GLN 70 3HB GLN 70 -14.340 26.033 -17.429 530 HG2 GLN 70 2HG GLN 70 -14.303 27.657 -15.925 531 HG3 GLN 70 3HG GLN 70 -15.133 28.661 -17.113 532 HE21 GLN 70 1HE2 GLN 70 -17.565 28.327 -17.140 533 HE22 GLN 70 2HE2 GLN 70 -18.342 28.243 -15.599 534 H PHE 71 H PHE 71 -13.267 26.344 -19.831 535 HA PHE 71 HA PHE 71 -12.309 29.105 -19.960 536 HB2 PHE 71 2HB PHE 71 -11.096 26.601 -19.326 537 HB3 PHE 71 3HB PHE 71 -10.293 27.255 -20.750 538 HD1 PHE 71 HD1 PHE 71 -9.172 29.444 -20.642 539 HD2 PHE 71 HD2 PHE 71 -10.835 27.598 -17.186 540 HE1 PHE 71 HE1 PHE 71 -7.857 30.951 -19.209 541 HE2 PHE 71 HE2 PHE 71 -9.524 29.103 -15.747 542 HZ PHE 71 HZ PHE 71 -8.033 30.783 -16.758 543 H ARG 72 H ARG 72 -13.818 26.947 -21.941 544 HA ARG 72 HA ARG 72 -14.184 26.845 -24.184 545 HB2 ARG 72 2HB ARG 72 -12.617 29.409 -24.429 546 HB3 ARG 72 3HB ARG 72 -13.881 28.809 -25.493 547 HG2 ARG 72 2HG ARG 72 -15.180 28.970 -23.095 548 HG3 ARG 72 3HG ARG 72 -14.078 30.346 -23.023 549 HD2 ARG 72 2HD ARG 72 -15.567 29.929 -25.551 550 HD3 ARG 72 3HD ARG 72 -16.492 30.481 -24.155 551 HE ARG 72 HE ARG 72 -14.276 32.113 -24.284 552 HH11 ARG 72 1HH1 ARG 72 -16.961 31.317 -26.353 553 HH12 ARG 72 2HH1 ARG 72 -16.990 32.866 -27.130 554 HH21 ARG 72 1HH2 ARG 72 -14.305 34.155 -25.300 555 HH22 ARG 72 2HH2 ARG 72 -15.478 34.479 -26.530 556 H VAL 73 H VAL 73 -11.486 26.110 -22.830 557 HA VAL 73 HA VAL 73 -10.285 25.057 -25.211 558 HB VAL 73 HB VAL 73 -9.296 27.258 -25.332 559 HG11 VAL 73 1HG1 VAL 73 -9.334 27.100 -22.510 560 HG12 VAL 73 2HG1 VAL 73 -7.651 27.300 -23.005 561 HG13 VAL 73 3HG1 VAL 73 -8.869 28.467 -23.521 562 HG21 VAL 73 1HG2 VAL 73 -7.001 26.658 -25.432 563 HG22 VAL 73 2HG2 VAL 73 -7.206 25.405 -24.207 564 HG23 VAL 73 3HG2 VAL 73 -7.921 25.200 -25.806 565 H SER 74 H SER 74 -9.457 23.131 -24.731 566 HA SER 74 HA SER 74 -7.749 22.442 -22.707 567 HB2 SER 74 2HB SER 74 -10.495 22.711 -21.747 568 HB3 SER 74 3HB SER 74 -9.813 21.118 -21.422 569 HG SER 74 HG SER 74 -8.936 23.643 -20.545 570 H GLN 75 H GLN 75 -7.138 21.287 -24.623 571 HA GLN 75 HA GLN 75 -8.775 19.227 -25.713 572 HB2 GLN 75 2HB GLN 75 -6.942 18.705 -27.108 573 HB3 GLN 75 3HB GLN 75 -6.874 20.447 -26.881 574 HG2 GLN 75 2HG GLN 75 -5.260 19.810 -24.916 575 HG3 GLN 75 3HG GLN 75 -5.067 18.325 -25.846 576 HE21 GLN 75 1HE2 GLN 75 -4.922 21.843 -26.122 577 HE22 GLN 75 2HE2 GLN 75 -3.682 21.876 -27.324 578 H GLN 76 H GLN 76 -7.074 17.058 -25.953 579 HA GLN 76 HA GLN 76 -6.898 16.100 -23.172 580 HB2 GLN 76 2HB GLN 76 -7.341 13.818 -24.162 581 HB3 GLN 76 3HB GLN 76 -8.695 14.939 -24.202 582 HG2 GLN 76 2HG GLN 76 -6.865 14.611 -26.550 583 HG3 GLN 76 3HG GLN 76 -8.233 13.532 -26.281 584 HE21 GLN 76 1HE2 GLN 76 -7.229 16.367 -27.697 585 HE22 GLN 76 2HE2 GLN 76 -8.772 17.081 -28.000 586 H SER 77 H SER 77 -4.672 17.020 -23.390 587 HA SER 77 HA SER 77 -2.858 14.896 -24.206 588 HB2 SER 77 2HB SER 77 -2.966 16.310 -26.200 589 HB3 SER 77 3HB SER 77 -2.585 17.733 -25.231 590 HG SER 77 HG SER 77 -0.897 15.467 -25.496 591 H THR 78 H THR 78 -3.882 16.669 -21.830 592 HA THR 78 HA THR 78 -1.526 17.906 -20.796 593 HB THR 78 HB THR 78 -4.146 17.163 -19.495 594 HG1 THR 78 HG1 THR 78 -2.990 19.656 -20.263 595 HG21 THR 78 1HG2 THR 78 -3.155 18.915 -17.763 596 HG22 THR 78 2HG2 THR 78 -1.630 18.227 -18.321 597 HG23 THR 78 3HG2 THR 78 -2.859 17.185 -17.606 598 H LEU 79 H LEU 79 -0.032 17.153 -19.370 599 HA LEU 79 HA LEU 79 -0.381 14.625 -18.020 600 HB2 LEU 79 2HB LEU 79 0.513 13.431 -19.686 601 HB3 LEU 79 3HB LEU 79 1.144 14.864 -20.496 602 HG LEU 79 HG LEU 79 3.089 14.834 -18.985 603 HD11 LEU 79 1HD1 LEU 79 1.465 13.020 -17.520 604 HD12 LEU 79 2HD1 LEU 79 3.041 13.687 -17.092 605 HD13 LEU 79 3HD1 LEU 79 2.939 12.183 -18.007 606 HD21 LEU 79 1HD2 LEU 79 3.478 13.798 -21.046 607 HD22 LEU 79 2HD2 LEU 79 2.469 12.409 -20.643 608 HD23 LEU 79 3HD2 LEU 79 4.033 12.622 -19.856 609 H ILE 80 H ILE 80 0.559 14.748 -16.091 610 HA ILE 80 HA ILE 80 3.089 16.073 -15.711 611 HB ILE 80 HB ILE 80 1.698 18.025 -15.569 612 HG12 ILE 80 2HG1 ILE 80 2.332 17.126 -12.752 613 HG13 ILE 80 3HG1 ILE 80 3.532 17.726 -13.891 614 HG21 ILE 80 1HG2 ILE 80 0.085 16.680 -13.414 615 HG22 ILE 80 2HG2 ILE 80 -0.228 18.227 -14.199 616 HG23 ILE 80 3HG2 ILE 80 -0.408 16.726 -15.107 617 HD11 ILE 80 1HD1 ILE 80 2.699 19.887 -13.816 618 HD12 ILE 80 2HD1 ILE 80 1.139 19.369 -13.177 619 HD13 ILE 80 3HD1 ILE 80 2.570 19.337 -12.146 620 H LEU 81 H LEU 81 4.157 14.723 -14.439 621 HA LEU 81 HA LEU 81 2.686 13.058 -12.538 622 HB2 LEU 81 2HB LEU 81 4.058 11.599 -13.570 623 HB3 LEU 81 3HB LEU 81 5.223 12.845 -14.010 624 HG LEU 81 HG LEU 81 6.079 12.779 -11.670 625 HD11 LEU 81 1HD1 LEU 81 5.370 11.233 -10.112 626 HD12 LEU 81 2HD1 LEU 81 4.630 10.189 -11.325 627 HD13 LEU 81 3HD1 LEU 81 3.852 11.706 -10.874 628 HD21 LEU 81 1HD2 LEU 81 7.207 11.567 -13.454 629 HD22 LEU 81 2HD2 LEU 81 6.149 10.179 -13.201 630 HD23 LEU 81 3HD2 LEU 81 7.285 10.663 -11.941 631 H TYR 82 H TYR 82 2.659 13.496 -10.438 632 HA TYR 82 HA TYR 82 4.479 15.544 -9.405 633 HB2 TYR 82 2HB TYR 82 1.837 14.453 -8.472 634 HB3 TYR 82 3HB TYR 82 2.871 15.371 -7.382 635 HD1 TYR 82 HD1 TYR 82 2.785 17.703 -7.375 636 HD2 TYR 82 HD2 TYR 82 1.183 15.577 -10.694 637 HE1 TYR 82 HE1 TYR 82 1.873 19.803 -8.272 638 HE2 TYR 82 HE2 TYR 82 0.267 17.672 -11.601 639 HH TYR 82 HH TYR 82 -0.408 20.138 -10.208 640 H ARG 83 H ARG 83 6.105 15.065 -8.082 641 HA ARG 83 HA ARG 83 6.250 12.335 -6.997 642 HB2 ARG 83 2HB ARG 83 8.057 13.543 -8.584 643 HB3 ARG 83 3HB ARG 83 8.663 14.057 -7.016 644 HG2 ARG 83 2HG ARG 83 8.185 11.355 -6.685 645 HG3 ARG 83 3HG ARG 83 8.838 11.480 -8.319 646 HD2 ARG 83 2HD ARG 83 10.787 11.319 -7.144 647 HD3 ARG 83 3HD ARG 83 10.574 13.069 -7.121 648 HE ARG 83 HE ARG 83 9.299 12.154 -4.869 649 HH11 ARG 83 1HH1 ARG 83 12.523 11.973 -6.171 650 HH12 ARG 83 2HH1 ARG 83 13.287 11.904 -4.617 651 HH21 ARG 83 1HH2 ARG 83 10.293 12.064 -2.818 652 HH22 ARG 83 2HH2 ARG 83 12.017 11.955 -2.711 653 H ASN 84 H ASN 84 5.292 12.484 -5.026 654 HA ASN 84 HA ASN 84 5.115 12.911 -2.798 655 HB2 ASN 84 2HB ASN 84 7.706 12.795 -3.062 656 HB3 ASN 84 3HB ASN 84 7.633 14.545 -2.872 657 HD21 ASN 84 1HD2 ASN 84 6.998 11.468 -1.347 658 HD22 ASN 84 2HD2 ASN 84 6.952 12.062 0.275 659 H GLY 85 H GLY 85 3.823 14.603 -4.638 660 HA2 GLY 85 2HA GLY 85 2.494 16.488 -4.449 661 HA3 GLY 85 3HA GLY 85 3.289 16.850 -2.924 662 H GLN 86 H GLN 86 5.061 16.336 -5.894 663 HA GLN 86 HA GLN 86 5.478 19.225 -6.175 664 HB2 GLN 86 2HB GLN 86 7.409 17.341 -5.190 665 HB3 GLN 86 3HB GLN 86 7.957 17.989 -6.731 666 HG2 GLN 86 2HG GLN 86 8.609 19.848 -5.739 667 HG3 GLN 86 3HG GLN 86 6.968 20.140 -5.166 668 HE21 GLN 86 1HE2 GLN 86 6.538 19.935 -3.057 669 HE22 GLN 86 2HE2 GLN 86 7.662 19.382 -1.868 670 H GLU 87 H GLU 87 5.350 19.885 -8.222 671 HA GLU 87 HA GLU 87 4.936 17.955 -10.314 672 HB2 GLU 87 2HB GLU 87 4.622 19.975 -11.748 673 HB3 GLU 87 3HB GLU 87 3.572 19.929 -10.339 674 HG2 GLU 87 2HG GLU 87 5.945 21.299 -9.615 675 HG3 GLU 87 3HG GLU 87 5.372 21.961 -11.144 676 H VAL 88 H VAL 88 6.588 16.974 -11.267 677 HA VAL 88 HA VAL 88 9.213 18.187 -11.355 678 HB VAL 88 HB VAL 88 8.237 15.542 -12.441 679 HG11 VAL 88 1HG1 VAL 88 10.951 15.343 -12.091 680 HG12 VAL 88 2HG1 VAL 88 10.130 15.592 -13.633 681 HG13 VAL 88 3HG1 VAL 88 10.762 16.974 -12.736 682 HG21 VAL 88 1HG2 VAL 88 10.089 15.761 -10.134 683 HG22 VAL 88 2HG2 VAL 88 8.391 16.148 -9.859 684 HG23 VAL 88 3HG2 VAL 88 8.844 14.560 -10.477 685 H ARG 89 H ARG 89 7.233 16.633 -13.885 686 HA ARG 89 HA ARG 89 8.007 18.800 -15.715 687 HB2 ARG 89 2HB ARG 89 8.639 15.959 -15.917 688 HB3 ARG 89 3HB ARG 89 7.801 16.566 -17.339 689 HG2 ARG 89 2HG ARG 89 10.009 16.899 -17.892 690 HG3 ARG 89 3HG ARG 89 9.549 18.476 -17.246 691 HD2 ARG 89 2HD ARG 89 10.749 18.181 -15.303 692 HD3 ARG 89 3HD ARG 89 10.676 16.422 -15.402 693 HE ARG 89 HE ARG 89 12.577 16.442 -16.689 694 HH11 ARG 89 1HH1 ARG 89 11.300 19.672 -16.449 695 HH12 ARG 89 2HH1 ARG 89 12.687 20.414 -17.176 696 HH21 ARG 89 1HH2 ARG 89 14.408 17.407 -17.647 697 HH22 ARG 89 2HH2 ARG 89 14.454 19.124 -17.858 698 H ARG 90 H ARG 90 6.526 19.255 -17.384 699 HA ARG 90 HA ARG 90 4.057 17.795 -17.595 700 HB2 ARG 90 2HB ARG 90 3.429 19.029 -15.665 701 HB3 ARG 90 3HB ARG 90 4.138 20.511 -16.293 702 HG2 ARG 90 2HG ARG 90 1.966 19.285 -17.883 703 HG3 ARG 90 3HG ARG 90 1.525 20.026 -16.343 704 HD2 ARG 90 2HD ARG 90 2.926 22.031 -17.174 705 HD3 ARG 90 3HD ARG 90 2.759 21.288 -18.764 706 HE ARG 90 HE ARG 90 0.240 21.533 -17.477 707 HH11 ARG 90 1HH1 ARG 90 2.671 23.355 -19.177 708 HH12 ARG 90 2HH1 ARG 90 1.557 24.548 -19.757 709 HH21 ARG 90 1HH2 ARG 90 -1.237 23.097 -18.235 710 HH22 ARG 90 2HH2 ARG 90 -0.666 24.400 -19.221 711 H SER 91 H SER 91 2.917 18.282 -19.458 712 HA SER 91 HA SER 91 3.514 20.589 -21.051 713 HB2 SER 91 2HB SER 91 5.278 19.728 -22.153 714 HB3 SER 91 3HB SER 91 5.000 18.117 -21.492 715 HG SER 91 HG SER 91 3.543 17.716 -23.128 716 H ILE 92 H ILE 92 1.822 21.059 -22.319 717 HA ILE 92 HA ILE 92 -0.178 18.941 -22.770 718 HB ILE 92 HB ILE 92 -0.924 20.722 -21.199 719 HG12 ILE 92 2HG1 ILE 92 -2.361 19.441 -23.039 720 HG13 ILE 92 3HG1 ILE 92 -3.076 20.658 -21.987 721 HG21 ILE 92 1HG2 ILE 92 -1.482 22.942 -22.178 722 HG22 ILE 92 2HG2 ILE 92 0.248 22.620 -22.070 723 HG23 ILE 92 3HG2 ILE 92 -0.580 22.480 -23.621 724 HD11 ILE 92 1HD1 ILE 92 -3.210 22.221 -23.672 725 HD12 ILE 92 2HD1 ILE 92 -1.946 21.450 -24.631 726 HD13 ILE 92 3HD1 ILE 92 -3.546 20.716 -24.527 727 H GLY 93 H GLY 93 -1.026 18.692 -24.790 728 HA2 GLY 93 2HA GLY 93 -1.500 20.052 -26.915 729 HA3 GLY 93 3HA GLY 93 0.240 20.302 -26.909 730 H GLU 94 H GLU 94 1.343 17.956 -26.405 731 HA GLU 94 HA GLU 94 0.251 15.644 -27.472 732 HB2 GLU 94 2HB GLU 94 1.525 15.685 -29.715 733 HB3 GLU 94 3HB GLU 94 -0.006 16.543 -29.610 734 HG2 GLU 94 2HG GLU 94 0.940 18.533 -29.970 735 HG3 GLU 94 3HG GLU 94 2.319 18.176 -28.932 736 H THR 95 H THR 95 2.149 14.198 -28.463 737 HA THR 95 HA THR 95 3.929 13.645 -26.454 738 HB THR 95 HB THR 95 4.732 13.183 -29.312 739 HG1 THR 95 HG1 THR 95 3.318 11.287 -29.151 740 HG21 THR 95 1HG2 THR 95 4.794 11.115 -27.177 741 HG22 THR 95 2HG2 THR 95 5.960 12.435 -27.077 742 HG23 THR 95 3HG2 THR 95 5.917 11.402 -28.506 743 H SER 96 H SER 96 5.537 14.771 -25.600 744 HA SER 96 HA SER 96 7.377 16.216 -27.344 745 HB2 SER 96 2HB SER 96 7.150 18.008 -25.279 746 HB3 SER 96 3HB SER 96 6.367 18.177 -26.850 747 HG SER 96 HG SER 96 4.487 17.585 -26.001 748 HA PRO 97 HA PRO 97 10.490 14.799 -24.598 749 HB2 PRO 97 2HB PRO 97 12.225 16.886 -24.537 750 HB3 PRO 97 3HB PRO 97 12.029 15.841 -25.949 751 HG2 PRO 97 2HG PRO 97 10.860 18.545 -25.417 752 HG3 PRO 97 3HG PRO 97 11.576 17.909 -26.910 753 HD2 PRO 97 2HD PRO 97 8.900 18.050 -26.522 754 HD3 PRO 97 3HD PRO 97 9.658 16.772 -27.494 755 H SER 98 H SER 98 8.772 17.695 -23.832 756 HA SER 98 HA SER 98 9.897 17.880 -21.156 757 HB2 SER 98 2HB SER 98 9.512 20.026 -21.929 758 HB3 SER 98 3HB SER 98 8.055 19.562 -22.807 759 HG SER 98 HG SER 98 8.096 20.743 -20.536 760 H ALA 99 H ALA 99 7.200 16.487 -22.765 761 HA ALA 99 HA ALA 99 5.591 16.253 -20.362 762 HB1 ALA 99 1HB ALA 99 5.007 16.299 -23.065 763 HB2 ALA 99 2HB ALA 99 4.732 14.620 -22.598 764 HB3 ALA 99 3HB ALA 99 3.887 15.919 -21.756 765 H LEU 100 H LEU 100 7.569 14.193 -22.437 766 HA LEU 100 HA LEU 100 6.993 11.831 -20.866 767 HB2 LEU 100 2HB LEU 100 7.274 11.369 -23.135 768 HB3 LEU 100 3HB LEU 100 8.688 12.412 -23.266 769 HG LEU 100 HG LEU 100 9.988 10.763 -21.968 770 HD11 LEU 100 1HD1 LEU 100 7.554 9.808 -21.163 771 HD12 LEU 100 2HD1 LEU 100 9.097 8.977 -20.966 772 HD13 LEU 100 3HD1 LEU 100 8.064 8.601 -22.345 773 HD21 LEU 100 1HD2 LEU 100 10.520 10.218 -24.065 774 HD22 LEU 100 2HD2 LEU 100 8.852 10.365 -24.619 775 HD23 LEU 100 3HD2 LEU 100 9.405 8.865 -23.873 776 H SER 101 H SER 101 9.263 14.387 -20.847 777 HA SER 101 HA SER 101 11.546 13.190 -19.811 778 HB2 SER 101 2HB SER 101 10.444 15.891 -19.949 779 HB3 SER 101 3HB SER 101 11.426 15.633 -18.507 780 HG SER 101 HG SER 101 12.440 14.693 -20.922 781 H ASP 102 H ASP 102 8.471 13.627 -18.375 782 HA ASP 102 HA ASP 102 9.428 13.422 -15.648 783 HB2 ASP 102 2HB ASP 102 7.218 14.571 -16.691 784 HB3 ASP 102 3HB ASP 102 6.555 13.005 -16.235 785 H PHE 103 H PHE 103 8.292 11.335 -18.163 786 HA PHE 103 HA PHE 103 7.803 9.115 -16.354 787 HB2 PHE 103 2HB PHE 103 6.809 9.804 -18.848 788 HB3 PHE 103 3HB PHE 103 7.899 8.466 -19.197 789 HD1 PHE 103 HD1 PHE 103 4.694 8.888 -19.112 790 HD2 PHE 103 HD2 PHE 103 7.584 6.838 -16.755 791 HE1 PHE 103 HE1 PHE 103 2.965 7.297 -18.383 792 HE2 PHE 103 HE2 PHE 103 5.860 5.243 -16.023 793 HZ PHE 103 HZ PHE 103 3.547 5.470 -16.837 794 H LEU 104 H LEU 104 10.312 10.326 -18.415 795 HA LEU 104 HA LEU 104 11.816 7.831 -18.281 796 HB2 LEU 104 2HB LEU 104 11.941 8.812 -20.400 797 HB3 LEU 104 3HB LEU 104 12.187 10.426 -19.735 798 HG LEU 104 HG LEU 104 14.454 9.730 -19.009 799 HD11 LEU 104 1HD1 LEU 104 15.415 7.680 -19.746 800 HD12 LEU 104 2HD1 LEU 104 13.975 7.269 -20.676 801 HD13 LEU 104 3HD1 LEU 104 13.910 7.290 -18.914 802 HD21 LEU 104 1HD2 LEU 104 13.838 9.424 -21.946 803 HD22 LEU 104 2HD2 LEU 104 15.439 9.718 -21.266 804 HD23 LEU 104 3HD2 LEU 104 14.170 10.931 -21.092 805 H THR 105 H THR 105 11.586 10.858 -16.688 806 HA THR 105 HA THR 105 14.127 10.339 -15.286 807 HB THR 105 HB THR 105 12.833 13.034 -15.216 808 HG1 THR 105 HG1 THR 105 13.195 12.080 -17.486 809 HG21 THR 105 1HG2 THR 105 14.923 12.220 -13.898 810 HG22 THR 105 2HG2 THR 105 14.956 13.802 -14.678 811 HG23 THR 105 3HG2 THR 105 15.756 12.426 -15.438 812 H ARG 106 H ARG 106 10.977 9.841 -14.923 813 HA ARG 106 HA ARG 106 11.093 9.580 -12.112 814 HB2 ARG 106 2HB ARG 106 10.776 12.122 -12.518 815 HB3 ARG 106 3HB ARG 106 9.128 11.689 -12.954 816 HG2 ARG 106 2HG ARG 106 8.987 12.265 -10.708 817 HG3 ARG 106 3HG ARG 106 9.042 10.501 -10.688 818 HD2 ARG 106 2HD ARG 106 10.627 10.869 -9.117 819 HD3 ARG 106 3HD ARG 106 11.663 11.022 -10.535 820 HE ARG 106 HE ARG 106 10.464 13.499 -9.706 821 HH11 ARG 106 1HH1 ARG 106 13.142 11.321 -9.256 822 HH12 ARG 106 2HH1 ARG 106 14.205 12.546 -8.648 823 HH21 ARG 106 1HH2 ARG 106 11.854 15.121 -8.907 824 HH22 ARG 106 2HH2 ARG 106 13.471 14.707 -8.449 Start of MODEL 4 1 H GLN 1 H GLN 1 4.442 -1.159 -1.997 2 HA GLN 1 HA GLN 1 2.535 -1.228 -3.627 3 HB2 GLN 1 2HB GLN 1 2.843 0.632 -1.392 4 HB3 GLN 1 3HB GLN 1 1.638 1.152 -2.562 5 HG2 GLN 1 2HG GLN 1 0.848 -1.356 -2.329 6 HG3 GLN 1 3HG GLN 1 1.649 -1.207 -0.766 7 HE21 GLN 1 1HE2 GLN 1 -1.184 -0.725 -2.451 8 HE22 GLN 1 2HE2 GLN 1 -1.997 0.297 -1.321 9 H ALA 2 H ALA 2 1.845 -0.516 -5.544 10 HA ALA 2 HA ALA 2 2.057 2.149 -6.452 11 HB1 ALA 2 1HB ALA 2 4.030 2.255 -7.461 12 HB2 ALA 2 2HB ALA 2 4.433 0.696 -6.741 13 HB3 ALA 2 3HB ALA 2 3.711 0.764 -8.348 14 H ALA 3 H ALA 3 1.979 1.943 -9.127 15 HA ALA 3 HA ALA 3 0.660 1.392 -10.899 16 HB1 ALA 3 1HB ALA 3 1.679 -0.860 -10.471 17 HB2 ALA 3 2HB ALA 3 0.231 -1.265 -9.549 18 HB3 ALA 3 3HB ALA 3 0.106 -0.892 -11.268 19 H SER 4 H SER 4 -1.122 2.615 -10.897 20 HA SER 4 HA SER 4 -3.574 1.539 -9.853 21 HB2 SER 4 2HB SER 4 -2.772 4.242 -8.784 22 HB3 SER 4 3HB SER 4 -4.107 3.212 -8.267 23 HG SER 4 HG SER 4 -2.797 2.209 -6.973 24 H VAL 5 H VAL 5 -4.330 1.649 -11.946 25 HA VAL 5 HA VAL 5 -4.571 4.343 -13.114 26 HB VAL 5 HB VAL 5 -4.784 3.322 -15.287 27 HG11 VAL 5 1HG1 VAL 5 -2.489 3.498 -13.930 28 HG12 VAL 5 2HG1 VAL 5 -2.494 1.762 -14.248 29 HG13 VAL 5 3HG1 VAL 5 -2.575 2.905 -15.588 30 HG21 VAL 5 1HG2 VAL 5 -4.722 0.717 -13.777 31 HG22 VAL 5 2HG2 VAL 5 -6.010 1.339 -14.809 32 HG23 VAL 5 3HG2 VAL 5 -4.475 0.837 -15.519 33 H GLU 6 H GLU 6 -6.543 5.170 -13.524 34 HA GLU 6 HA GLU 6 -8.883 3.447 -13.575 35 HB2 GLU 6 2HB GLU 6 -8.137 4.985 -11.253 36 HB3 GLU 6 3HB GLU 6 -9.660 5.574 -11.904 37 HG2 GLU 6 2HG GLU 6 -9.962 2.836 -11.954 38 HG3 GLU 6 3HG GLU 6 -9.071 3.129 -10.461 39 HA PRO 7 HA PRO 7 -10.302 6.358 -16.539 40 HB2 PRO 7 2HB PRO 7 -12.991 6.137 -16.238 41 HB3 PRO 7 3HB PRO 7 -12.002 4.881 -16.993 42 HG2 PRO 7 2HG PRO 7 -13.058 5.035 -14.196 43 HG3 PRO 7 3HG PRO 7 -13.002 3.645 -15.296 44 HD2 PRO 7 2HD PRO 7 -11.200 4.002 -13.307 45 HD3 PRO 7 3HD PRO 7 -10.783 3.217 -14.844 46 H TYR 8 H TYR 8 -10.113 8.492 -16.326 47 HA TYR 8 HA TYR 8 -10.466 10.642 -15.672 48 HB2 TYR 8 2HB TYR 8 -12.690 10.889 -15.886 49 HB3 TYR 8 3HB TYR 8 -13.016 9.306 -15.191 50 HD1 TYR 8 HD1 TYR 8 -12.521 12.873 -14.441 51 HD2 TYR 8 HD2 TYR 8 -13.554 9.060 -12.861 52 HE1 TYR 8 HE1 TYR 8 -13.342 13.952 -12.389 53 HE2 TYR 8 HE2 TYR 8 -14.379 10.129 -10.805 54 HH TYR 8 HH TYR 8 -15.277 12.992 -10.453 55 H SER 9 H SER 9 -10.142 12.030 -13.890 56 HA SER 9 HA SER 9 -10.275 11.265 -11.196 57 HB2 SER 9 2HB SER 9 -7.768 10.565 -12.627 58 HB3 SER 9 3HB SER 9 -7.590 11.306 -11.036 59 HG SER 9 HG SER 9 -7.913 9.332 -10.373 60 H ASP 10 H ASP 10 -10.931 13.523 -12.690 61 HA ASP 10 HA ASP 10 -9.134 15.617 -12.743 62 HB2 ASP 10 2HB ASP 10 -11.572 15.541 -13.555 63 HB3 ASP 10 3HB ASP 10 -12.004 15.998 -11.910 64 H ALA 11 H ALA 11 -11.274 14.670 -10.062 65 HA ALA 11 HA ALA 11 -10.079 16.609 -8.287 66 HB1 ALA 11 1HB ALA 11 -12.005 14.397 -7.597 67 HB2 ALA 11 2HB ALA 11 -11.650 15.843 -6.651 68 HB3 ALA 11 3HB ALA 11 -12.490 15.983 -8.196 69 H ALA 12 H ALA 12 -9.382 13.442 -9.270 70 HA ALA 12 HA ALA 12 -8.145 12.576 -6.814 71 HB1 ALA 12 1HB ALA 12 -9.006 11.335 -9.186 72 HB2 ALA 12 2HB ALA 12 -7.266 11.062 -9.077 73 HB3 ALA 12 3HB ALA 12 -8.321 10.573 -7.751 74 H PHE 13 H PHE 13 -7.111 13.969 -9.876 75 HA PHE 13 HA PHE 13 -4.388 13.572 -9.770 76 HB2 PHE 13 2HB PHE 13 -5.802 16.083 -10.692 77 HB3 PHE 13 3HB PHE 13 -4.168 15.598 -11.132 78 HD1 PHE 13 HD1 PHE 13 -6.923 16.092 -12.729 79 HD2 PHE 13 HD2 PHE 13 -4.590 12.706 -11.629 80 HE1 PHE 13 HE1 PHE 13 -7.816 14.853 -14.658 81 HE2 PHE 13 HE2 PHE 13 -5.479 11.462 -13.557 82 HZ PHE 13 HZ PHE 13 -7.093 12.536 -15.075 83 H THR 14 H THR 14 -6.351 15.826 -7.953 84 HA THR 14 HA THR 14 -4.062 17.222 -6.863 85 HB THR 14 HB THR 14 -6.024 18.122 -5.306 86 HG1 THR 14 HG1 THR 14 -7.433 16.484 -6.489 87 HG21 THR 14 1HG2 THR 14 -6.563 19.430 -7.726 88 HG22 THR 14 2HG2 THR 14 -4.883 18.903 -7.833 89 HG23 THR 14 3HG2 THR 14 -5.407 19.911 -6.484 90 H GLN 15 H GLN 15 -6.562 14.999 -5.667 91 HA GLN 15 HA GLN 15 -5.650 14.879 -3.010 92 HB2 GLN 15 2HB GLN 15 -7.278 13.316 -2.688 93 HB3 GLN 15 3HB GLN 15 -7.841 13.965 -4.223 94 HG2 GLN 15 2HG GLN 15 -6.584 12.129 -5.362 95 HG3 GLN 15 3HG GLN 15 -6.276 11.439 -3.769 96 HE21 GLN 15 1HE2 GLN 15 -7.607 10.037 -5.731 97 HE22 GLN 15 2HE2 GLN 15 -9.255 9.822 -5.261 98 H ALA 16 H ALA 16 -4.485 13.425 -5.909 99 HA ALA 16 HA ALA 16 -2.991 11.344 -4.572 100 HB1 ALA 16 1HB ALA 16 -3.943 11.119 -6.882 101 HB2 ALA 16 2HB ALA 16 -2.706 12.252 -7.429 102 HB3 ALA 16 3HB ALA 16 -2.236 10.701 -6.734 103 H GLN 17 H GLN 17 -2.386 14.539 -5.906 104 HA GLN 17 HA GLN 17 0.471 14.336 -5.478 105 HB2 GLN 17 2HB GLN 17 0.656 16.404 -6.556 106 HB3 GLN 17 3HB GLN 17 -0.700 15.632 -7.368 107 HG2 GLN 17 2HG GLN 17 -1.816 17.511 -6.991 108 HG3 GLN 17 3HG GLN 17 -1.901 16.999 -5.307 109 HE21 GLN 17 1HE2 GLN 17 -1.549 18.703 -4.079 110 HE22 GLN 17 2HE2 GLN 17 -0.288 19.865 -4.290 111 H ALA 18 H ALA 18 -2.303 15.365 -3.743 112 HA ALA 18 HA ALA 18 -0.921 17.160 -1.968 113 HB1 ALA 18 1HB ALA 18 -3.229 16.575 -0.671 114 HB2 ALA 18 2HB ALA 18 -3.066 17.822 -1.908 115 HB3 ALA 18 3HB ALA 18 -3.678 16.226 -2.340 116 H SER 19 H SER 19 -0.918 13.867 -2.296 117 HA SER 19 HA SER 19 -0.619 13.364 0.582 118 HB2 SER 19 2HB SER 19 -1.882 11.902 -1.449 119 HB3 SER 19 3HB SER 19 -0.415 10.998 -1.076 120 HG SER 19 HG SER 19 -2.542 11.706 0.640 121 H GLY 20 H GLY 20 1.150 13.693 -2.332 122 HA2 GLY 20 2HA GLY 20 3.473 13.898 -2.502 123 HA3 GLY 20 3HA GLY 20 3.629 13.197 -0.898 124 H ALA 21 H ALA 21 1.855 11.832 -3.626 125 HA ALA 21 HA ALA 21 3.825 9.640 -3.712 126 HB1 ALA 21 1HB ALA 21 1.103 8.926 -4.508 127 HB2 ALA 21 2HB ALA 21 2.242 8.077 -3.461 128 HB3 ALA 21 3HB ALA 21 1.260 9.390 -2.813 129 HA PRO 22 HA PRO 22 4.149 10.197 -8.053 130 HB2 PRO 22 2HB PRO 22 4.415 7.643 -8.932 131 HB3 PRO 22 3HB PRO 22 5.690 8.493 -8.052 132 HG2 PRO 22 2HG PRO 22 3.690 6.509 -7.040 133 HG3 PRO 22 3HG PRO 22 5.422 6.635 -6.680 134 HD2 PRO 22 2HD PRO 22 3.514 7.548 -4.991 135 HD3 PRO 22 3HD PRO 22 5.108 8.316 -5.135 136 H VAL 23 H VAL 23 2.590 10.762 -9.423 137 HA VAL 23 HA VAL 23 0.599 8.840 -10.269 138 HB VAL 23 HB VAL 23 -1.140 10.845 -9.885 139 HG11 VAL 23 1HG1 VAL 23 -1.064 8.351 -9.115 140 HG12 VAL 23 2HG1 VAL 23 -0.625 9.051 -7.555 141 HG13 VAL 23 3HG1 VAL 23 -2.152 9.489 -8.322 142 HG21 VAL 23 1HG2 VAL 23 -0.798 12.110 -7.992 143 HG22 VAL 23 2HG2 VAL 23 0.356 10.967 -7.305 144 HG23 VAL 23 3HG2 VAL 23 0.841 12.015 -8.638 145 H LEU 24 H LEU 24 0.486 9.014 -12.400 146 HA LEU 24 HA LEU 24 1.198 11.568 -13.657 147 HB2 LEU 24 2HB LEU 24 2.334 9.320 -14.206 148 HB3 LEU 24 3HB LEU 24 0.857 8.962 -15.099 149 HG LEU 24 HG LEU 24 2.056 11.540 -15.791 150 HD11 LEU 24 1HD1 LEU 24 3.617 8.998 -16.056 151 HD12 LEU 24 2HD1 LEU 24 4.161 10.590 -15.529 152 HD13 LEU 24 3HD1 LEU 24 3.792 10.303 -17.230 153 HD21 LEU 24 1HD2 LEU 24 1.850 10.161 -18.075 154 HD22 LEU 24 2HD2 LEU 24 0.480 10.969 -17.312 155 HD23 LEU 24 3HD2 LEU 24 0.724 9.237 -17.081 156 H VAL 25 H VAL 25 -0.071 12.440 -15.343 157 HA VAL 25 HA VAL 25 -2.863 11.491 -15.368 158 HB VAL 25 HB VAL 25 -1.959 14.347 -15.747 159 HG11 VAL 25 1HG1 VAL 25 -3.994 14.350 -16.751 160 HG12 VAL 25 2HG1 VAL 25 -4.562 12.939 -15.856 161 HG13 VAL 25 3HG1 VAL 25 -4.537 14.524 -15.083 162 HG21 VAL 25 1HG2 VAL 25 -1.529 14.092 -13.511 163 HG22 VAL 25 2HG2 VAL 25 -3.243 14.505 -13.451 164 HG23 VAL 25 3HG2 VAL 25 -2.736 12.821 -13.310 165 H ASP 26 H ASP 26 -3.766 11.076 -17.293 166 HA ASP 26 HA ASP 26 -2.575 12.177 -19.723 167 HB2 ASP 26 2HB ASP 26 -1.857 9.666 -18.935 168 HB3 ASP 26 3HB ASP 26 -3.259 9.319 -19.943 169 H VAL 27 H VAL 27 -4.200 13.141 -20.730 170 HA VAL 27 HA VAL 27 -6.928 12.199 -20.372 171 HB VAL 27 HB VAL 27 -6.146 14.518 -22.109 172 HG11 VAL 27 1HG1 VAL 27 -8.316 15.357 -21.535 173 HG12 VAL 27 2HG1 VAL 27 -8.492 13.679 -22.052 174 HG13 VAL 27 3HG1 VAL 27 -8.544 14.085 -20.336 175 HG21 VAL 27 1HG2 VAL 27 -6.220 14.415 -19.107 176 HG22 VAL 27 2HG2 VAL 27 -4.945 15.037 -20.155 177 HG23 VAL 27 3HG2 VAL 27 -6.467 15.915 -20.001 178 H TYR 28 H TYR 28 -8.286 11.529 -22.028 179 HA TYR 28 HA TYR 28 -7.108 11.127 -24.678 180 HB2 TYR 28 2HB TYR 28 -8.179 8.984 -22.865 181 HB3 TYR 28 3HB TYR 28 -8.233 8.789 -24.613 182 HD1 TYR 28 HD1 TYR 28 -6.419 7.835 -25.693 183 HD2 TYR 28 HD2 TYR 28 -5.836 9.614 -21.873 184 HE1 TYR 28 HE1 TYR 28 -4.096 7.028 -25.679 185 HE2 TYR 28 HE2 TYR 28 -3.510 8.813 -21.849 186 HH TYR 28 HH TYR 28 -1.796 8.090 -23.357 187 H ALA 29 H ALA 29 -8.746 10.506 -26.309 188 HA ALA 29 HA ALA 29 -11.473 11.333 -25.594 189 HB1 ALA 29 1HB ALA 29 -9.830 12.417 -27.873 190 HB2 ALA 29 2HB ALA 29 -11.580 12.604 -27.753 191 HB3 ALA 29 3HB ALA 29 -10.532 13.311 -26.524 192 H ASP 30 H ASP 30 -12.964 10.929 -27.581 193 HA ASP 30 HA ASP 30 -13.208 8.243 -28.030 194 HB2 ASP 30 2HB ASP 30 -14.686 8.796 -29.907 195 HB3 ASP 30 3HB ASP 30 -14.978 9.867 -28.539 196 H TRP 31 H TRP 31 -11.316 10.564 -29.869 197 HA TRP 31 HA TRP 31 -9.490 8.685 -30.821 198 HB2 TRP 31 2HB TRP 31 -11.844 8.397 -32.195 199 HB3 TRP 31 3HB TRP 31 -10.955 9.510 -33.232 200 HD1 TRP 31 HD1 TRP 31 -8.060 8.052 -32.403 201 HE1 TRP 31 HE1 TRP 31 -7.488 5.868 -33.640 202 HE3 TRP 31 HE3 TRP 31 -12.744 6.776 -34.007 203 HZ2 TRP 31 HZ2 TRP 31 -8.843 3.870 -35.102 204 HZ3 TRP 31 HZ3 TRP 31 -13.020 4.713 -35.319 205 HH2 TRP 31 HH2 TRP 31 -11.108 3.292 -35.855 206 H CYS 32 H CYS 32 -9.135 11.096 -29.702 207 HA CYS 32 HA CYS 32 -8.912 13.276 -31.475 208 HB2 CYS 32 2HB CYS 32 -8.081 12.645 -28.735 209 HB3 CYS 32 3HB CYS 32 -6.986 13.743 -29.565 210 HG CYS 32 HG CYS 32 -9.519 15.236 -30.342 211 HA PRO 33 HA PRO 33 -5.203 12.615 -33.717 212 HB2 PRO 33 2HB PRO 33 -3.978 15.036 -33.620 213 HB3 PRO 33 3HB PRO 33 -5.435 14.734 -34.574 214 HG2 PRO 33 2HG PRO 33 -5.168 15.997 -31.873 215 HG3 PRO 33 3HG PRO 33 -6.178 16.491 -33.245 216 HD2 PRO 33 2HD PRO 33 -7.163 15.117 -31.129 217 HD3 PRO 33 3HD PRO 33 -7.802 14.924 -32.775 218 H VAL 34 H VAL 34 -4.936 13.782 -30.452 219 HA VAL 34 HA VAL 34 -2.086 13.432 -30.266 220 HB VAL 34 HB VAL 34 -4.154 13.804 -28.094 221 HG11 VAL 34 1HG1 VAL 34 -1.414 13.032 -27.938 222 HG12 VAL 34 2HG1 VAL 34 -1.586 14.661 -27.281 223 HG13 VAL 34 3HG1 VAL 34 -2.554 13.338 -26.628 224 HG21 VAL 34 1HG2 VAL 34 -3.373 15.614 -29.981 225 HG22 VAL 34 2HG2 VAL 34 -3.991 16.024 -28.381 226 HG23 VAL 34 3HG2 VAL 34 -2.251 15.956 -28.664 227 H CYS 35 H CYS 35 -4.899 11.733 -28.880 228 HA CYS 35 HA CYS 35 -3.348 9.603 -27.813 229 HB2 CYS 35 2HB CYS 35 -5.483 8.526 -27.354 230 HB3 CYS 35 3HB CYS 35 -5.568 10.230 -26.926 231 HG CYS 35 HG CYS 35 -6.752 10.721 -29.613 232 H LYS 36 H LYS 36 -4.839 10.213 -30.891 233 HA LYS 36 HA LYS 36 -4.786 7.509 -31.817 234 HB2 LYS 36 2HB LYS 36 -6.344 8.957 -32.869 235 HB3 LYS 36 3HB LYS 36 -5.111 10.167 -33.199 236 HG2 LYS 36 2HG LYS 36 -5.728 9.009 -35.229 237 HG3 LYS 36 3HG LYS 36 -4.055 8.646 -34.801 238 HD2 LYS 36 2HD LYS 36 -5.534 6.675 -33.522 239 HD3 LYS 36 3HD LYS 36 -6.324 6.864 -35.089 240 HE2 LYS 36 2HE LYS 36 -3.386 6.801 -35.168 241 HE3 LYS 36 3HE LYS 36 -4.150 5.305 -34.635 242 HZ1 LYS 36 1HZ LYS 36 -3.737 5.688 -37.135 243 HZ2 LYS 36 2HZ LYS 36 -5.113 6.668 -37.060 244 HZ3 LYS 36 3HZ LYS 36 -5.217 5.032 -36.643 245 H ARG 37 H ARG 37 -2.599 10.256 -31.994 246 HA ARG 37 HA ARG 37 -0.747 8.809 -33.705 247 HB2 ARG 37 2HB ARG 37 -1.041 11.181 -34.127 248 HB3 ARG 37 3HB ARG 37 -0.609 11.562 -32.465 249 HG2 ARG 37 2HG ARG 37 1.650 10.864 -32.822 250 HG3 ARG 37 3HG ARG 37 1.253 10.240 -34.424 251 HD2 ARG 37 2HD ARG 37 1.041 13.130 -33.589 252 HD3 ARG 37 3HD ARG 37 2.390 12.436 -34.488 253 HE ARG 37 HE ARG 37 -0.050 11.908 -35.815 254 HH11 ARG 37 1HH1 ARG 37 2.200 14.480 -35.148 255 HH12 ARG 37 2HH1 ARG 37 1.812 15.368 -36.585 256 HH21 ARG 37 1HH2 ARG 37 -0.569 13.068 -37.710 257 HH22 ARG 37 2HH2 ARG 37 0.236 14.564 -38.041 258 H GLN 38 H GLN 38 -1.267 9.430 -30.361 259 HA GLN 38 HA GLN 38 1.453 8.874 -29.564 260 HB2 GLN 38 2HB GLN 38 0.197 10.416 -28.210 261 HB3 GLN 38 3HB GLN 38 -1.095 9.243 -27.987 262 HG2 GLN 38 2HG GLN 38 0.102 8.004 -26.468 263 HG3 GLN 38 3HG GLN 38 1.658 8.570 -27.072 264 HE21 GLN 38 1HE2 GLN 38 1.559 11.202 -26.976 265 HE22 GLN 38 2HE2 GLN 38 1.264 11.777 -25.374 266 H GLU 39 H GLU 39 -1.399 7.086 -30.214 267 HA GLU 39 HA GLU 39 -1.171 4.886 -28.551 268 HB2 GLU 39 2HB GLU 39 -3.094 5.122 -29.960 269 HB3 GLU 39 3HB GLU 39 -2.106 5.076 -31.414 270 HG2 GLU 39 2HG GLU 39 -1.787 2.800 -31.292 271 HG3 GLU 39 3HG GLU 39 -2.103 2.743 -29.558 272 H ARG 40 H ARG 40 0.784 5.814 -31.257 273 HA ARG 40 HA ARG 40 2.002 3.220 -31.584 274 HB2 ARG 40 2HB ARG 40 1.757 4.735 -33.499 275 HB3 ARG 40 3HB ARG 40 2.788 5.916 -32.702 276 HG2 ARG 40 2HG ARG 40 3.922 4.581 -34.464 277 HG3 ARG 40 3HG ARG 40 4.687 4.486 -32.877 278 HD2 ARG 40 2HD ARG 40 4.579 2.292 -33.943 279 HD3 ARG 40 3HD ARG 40 3.605 2.339 -32.474 280 HE ARG 40 HE ARG 40 2.037 2.942 -34.762 281 HH11 ARG 40 1HH1 ARG 40 3.536 0.309 -33.049 282 HH12 ARG 40 2HH1 ARG 40 2.403 -0.875 -33.612 283 HH21 ARG 40 1HH2 ARG 40 0.539 1.394 -35.511 284 HH22 ARG 40 2HH2 ARG 40 0.700 -0.257 -35.014 285 H GLU 41 H GLU 41 2.672 6.187 -29.869 286 HA GLU 41 HA GLU 41 5.355 5.326 -29.152 287 HB2 GLU 41 2HB GLU 41 3.798 7.782 -28.323 288 HB3 GLU 41 3HB GLU 41 5.492 7.477 -27.964 289 HG2 GLU 41 2HG GLU 41 5.164 7.200 -30.754 290 HG3 GLU 41 3HG GLU 41 4.340 8.680 -30.266 291 H LEU 42 H LEU 42 2.394 4.481 -28.145 292 HA LEU 42 HA LEU 42 2.418 4.758 -25.360 293 HB2 LEU 42 2HB LEU 42 0.545 3.515 -25.397 294 HB3 LEU 42 3HB LEU 42 0.656 3.789 -27.134 295 HG LEU 42 HG LEU 42 1.632 1.322 -25.696 296 HD11 LEU 42 1HD1 LEU 42 -0.827 1.574 -25.690 297 HD12 LEU 42 2HD1 LEU 42 -0.274 0.200 -26.648 298 HD13 LEU 42 3HD1 LEU 42 -0.793 1.682 -27.450 299 HD21 LEU 42 1HD2 LEU 42 2.264 2.378 -28.243 300 HD22 LEU 42 2HD2 LEU 42 1.211 0.985 -28.493 301 HD23 LEU 42 3HD2 LEU 42 2.703 0.808 -27.568 302 H THR 43 H THR 43 4.349 2.835 -27.399 303 HA THR 43 HA THR 43 4.924 0.753 -25.504 304 HB THR 43 HB THR 43 7.028 0.910 -27.386 305 HG1 THR 43 HG1 THR 43 6.023 1.269 -29.296 306 HG21 THR 43 1HG2 THR 43 6.419 -1.240 -27.833 307 HG22 THR 43 2HG2 THR 43 4.700 -0.852 -27.912 308 HG23 THR 43 3HG2 THR 43 5.496 -1.016 -26.347 309 HA PRO 44 HA PRO 44 9.116 3.080 -25.014 310 HB2 PRO 44 2HB PRO 44 9.386 5.482 -26.250 311 HB3 PRO 44 3HB PRO 44 9.799 3.950 -27.028 312 HG2 PRO 44 2HG PRO 44 7.320 5.606 -27.302 313 HG3 PRO 44 3HG PRO 44 8.259 4.780 -28.560 314 HD2 PRO 44 2HD PRO 44 5.965 3.758 -27.547 315 HD3 PRO 44 3HD PRO 44 7.302 2.733 -28.107 316 H LEU 45 H LEU 45 6.241 5.107 -25.286 317 HA LEU 45 HA LEU 45 7.008 6.994 -23.305 318 HB2 LEU 45 2HB LEU 45 4.330 6.238 -24.452 319 HB3 LEU 45 3HB LEU 45 4.552 7.542 -23.287 320 HG LEU 45 HG LEU 45 5.831 7.448 -26.018 321 HD11 LEU 45 1HD1 LEU 45 4.196 9.083 -26.692 322 HD12 LEU 45 2HD1 LEU 45 3.465 9.066 -25.088 323 HD13 LEU 45 3HD1 LEU 45 3.369 7.636 -26.114 324 HD21 LEU 45 1HD2 LEU 45 6.542 8.897 -23.773 325 HD22 LEU 45 2HD2 LEU 45 5.550 10.020 -24.704 326 HD23 LEU 45 3HD2 LEU 45 6.969 9.275 -25.443 327 H PHE 46 H PHE 46 5.622 3.832 -23.195 328 HA PHE 46 HA PHE 46 5.207 4.127 -20.292 329 HB2 PHE 46 2HB PHE 46 3.797 2.240 -22.191 330 HB3 PHE 46 3HB PHE 46 3.539 2.323 -20.451 331 HD1 PHE 46 HD1 PHE 46 1.687 2.810 -23.014 332 HD2 PHE 46 HD2 PHE 46 3.563 5.294 -20.111 333 HE1 PHE 46 HE1 PHE 46 -0.049 4.518 -23.359 334 HE2 PHE 46 HE2 PHE 46 1.829 7.006 -20.450 335 HZ PHE 46 HZ PHE 46 0.020 6.619 -22.075 336 H ALA 47 H ALA 47 7.565 3.279 -22.047 337 HA ALA 47 HA ALA 47 7.969 0.549 -21.070 338 HB1 ALA 47 1HB ALA 47 10.219 1.242 -22.514 339 HB2 ALA 47 2HB ALA 47 8.835 0.326 -23.111 340 HB3 ALA 47 3HB ALA 47 8.909 2.071 -23.356 341 H GLN 48 H GLN 48 8.551 3.664 -20.076 342 HA GLN 48 HA GLN 48 11.171 3.616 -19.113 343 HB2 GLN 48 2HB GLN 48 8.801 4.986 -17.833 344 HB3 GLN 48 3HB GLN 48 10.495 5.402 -17.613 345 HG2 GLN 48 2HG GLN 48 9.086 5.528 -20.265 346 HG3 GLN 48 3HG GLN 48 9.210 6.892 -19.156 347 HE21 GLN 48 1HE2 GLN 48 10.195 7.114 -21.674 348 HE22 GLN 48 2HE2 GLN 48 11.921 7.157 -21.637 349 HA PRO 49 HA PRO 49 11.083 0.689 -15.829 350 HB2 PRO 49 2HB PRO 49 13.171 1.620 -14.365 351 HB3 PRO 49 3HB PRO 49 13.378 0.767 -15.900 352 HG2 PRO 49 2HG PRO 49 13.426 3.708 -15.346 353 HG3 PRO 49 3HG PRO 49 14.497 2.747 -16.383 354 HD2 PRO 49 2HD PRO 49 12.458 4.229 -17.371 355 HD3 PRO 49 3HD PRO 49 12.986 2.710 -18.123 356 H ALA 50 H ALA 50 10.390 3.978 -15.435 357 HA ALA 50 HA ALA 50 10.027 3.885 -12.562 358 HB1 ALA 50 1HB ALA 50 10.794 5.945 -13.663 359 HB2 ALA 50 2HB ALA 50 9.258 6.042 -14.524 360 HB3 ALA 50 3HB ALA 50 9.294 6.187 -12.767 361 H GLN 51 H GLN 51 8.292 2.819 -15.190 362 HA GLN 51 HA GLN 51 5.651 3.551 -14.529 363 HB2 GLN 51 2HB GLN 51 6.465 2.559 -16.713 364 HB3 GLN 51 3HB GLN 51 6.481 0.997 -15.905 365 HG2 GLN 51 2HG GLN 51 4.036 1.423 -15.366 366 HG3 GLN 51 3HG GLN 51 4.126 2.746 -16.528 367 HE21 GLN 51 1HE2 GLN 51 4.781 -0.714 -16.192 368 HE22 GLN 51 2HE2 GLN 51 4.359 -1.131 -17.815 369 H ARG 52 H ARG 52 7.831 1.434 -13.020 370 HA ARG 52 HA ARG 52 5.816 -0.288 -11.858 371 HB2 ARG 52 2HB ARG 52 7.904 -1.337 -12.301 372 HB3 ARG 52 3HB ARG 52 8.799 -0.053 -11.500 373 HG2 ARG 52 2HG ARG 52 8.710 -2.113 -10.173 374 HG3 ARG 52 3HG ARG 52 7.951 -0.749 -9.350 375 HD2 ARG 52 2HD ARG 52 6.003 -1.817 -9.234 376 HD3 ARG 52 3HD ARG 52 6.030 -2.162 -10.963 377 HE ARG 52 HE ARG 52 7.749 -3.983 -9.941 378 HH11 ARG 52 1HH1 ARG 52 4.472 -3.089 -9.178 379 HH12 ARG 52 2HH1 ARG 52 4.029 -4.673 -8.633 380 HH21 ARG 52 1HH2 ARG 52 7.178 -6.073 -9.226 381 HH22 ARG 52 2HH2 ARG 52 5.569 -6.369 -8.660 382 H ASP 53 H ASP 53 7.599 2.580 -11.013 383 HA ASP 53 HA ASP 53 6.416 2.523 -8.318 384 HB2 ASP 53 2HB ASP 53 8.996 3.498 -9.378 385 HB3 ASP 53 3HB ASP 53 8.223 4.544 -8.191 386 H LEU 54 H LEU 54 5.602 3.603 -11.191 387 HA LEU 54 HA LEU 54 4.443 6.087 -10.128 388 HB2 LEU 54 2HB LEU 54 5.113 7.353 -11.871 389 HB3 LEU 54 3HB LEU 54 6.425 6.176 -11.906 390 HG LEU 54 HG LEU 54 4.703 4.972 -13.578 391 HD11 LEU 54 1HD1 LEU 54 4.252 7.445 -14.871 392 HD12 LEU 54 2HD1 LEU 54 3.624 7.581 -13.229 393 HD13 LEU 54 3HD1 LEU 54 3.063 6.282 -14.283 394 HD21 LEU 54 1HD2 LEU 54 6.327 5.334 -15.077 395 HD22 LEU 54 2HD2 LEU 54 7.156 6.151 -13.752 396 HD23 LEU 54 3HD2 LEU 54 6.219 7.088 -14.917 397 H ARG 55 H ARG 55 2.365 6.585 -10.818 398 HA ARG 55 HA ARG 55 0.970 4.392 -12.200 399 HB2 ARG 55 2HB ARG 55 -0.115 6.429 -10.246 400 HB3 ARG 55 3HB ARG 55 -1.065 5.183 -11.044 401 HG2 ARG 55 2HG ARG 55 -0.684 4.064 -9.133 402 HG3 ARG 55 3HG ARG 55 0.839 3.656 -9.926 403 HD2 ARG 55 2HD ARG 55 1.518 4.396 -7.832 404 HD3 ARG 55 3HD ARG 55 1.722 5.824 -8.845 405 HE ARG 55 HE ARG 55 -0.759 6.164 -7.876 406 HH11 ARG 55 1HH1 ARG 55 2.265 5.383 -6.338 407 HH12 ARG 55 2HH1 ARG 55 1.854 6.158 -4.844 408 HH21 ARG 55 1HH2 ARG 55 -1.311 7.187 -5.914 409 HH22 ARG 55 2HH2 ARG 55 -0.181 7.183 -4.603 410 H VAL 56 H VAL 56 -1.216 5.297 -13.164 411 HA VAL 56 HA VAL 56 -1.050 7.928 -14.310 412 HB VAL 56 HB VAL 56 0.467 6.883 -15.840 413 HG11 VAL 56 1HG1 VAL 56 -0.019 4.867 -17.060 414 HG12 VAL 56 2HG1 VAL 56 -0.204 4.547 -15.334 415 HG13 VAL 56 3HG1 VAL 56 -1.630 4.776 -16.348 416 HG21 VAL 56 1HG2 VAL 56 -1.997 6.748 -17.481 417 HG22 VAL 56 2HG2 VAL 56 -1.678 8.257 -16.626 418 HG23 VAL 56 3HG2 VAL 56 -0.492 7.622 -17.766 419 H PHE 57 H PHE 57 -3.057 8.661 -14.520 420 HA PHE 57 HA PHE 57 -5.246 6.703 -14.689 421 HB2 PHE 57 2HB PHE 57 -5.159 9.511 -13.582 422 HB3 PHE 57 3HB PHE 57 -6.660 8.625 -13.834 423 HD1 PHE 57 HD1 PHE 57 -7.503 7.324 -12.129 424 HD2 PHE 57 HD2 PHE 57 -3.361 8.305 -12.136 425 HE1 PHE 57 HE1 PHE 57 -7.253 6.271 -9.920 426 HE2 PHE 57 HE2 PHE 57 -3.105 7.253 -9.927 427 HZ PHE 57 HZ PHE 57 -5.052 6.233 -8.816 428 H LYS 58 H LYS 58 -6.498 6.647 -16.440 429 HA LYS 58 HA LYS 58 -6.015 8.592 -18.558 430 HB2 LYS 58 2HB LYS 58 -6.880 5.807 -18.416 431 HB3 LYS 58 3HB LYS 58 -7.856 6.764 -19.523 432 HG2 LYS 58 2HG LYS 58 -6.257 6.191 -20.991 433 HG3 LYS 58 3HG LYS 58 -5.401 7.558 -20.273 434 HD2 LYS 58 2HD LYS 58 -3.815 6.227 -19.445 435 HD3 LYS 58 3HD LYS 58 -5.010 5.140 -18.734 436 HE2 LYS 58 2HE LYS 58 -5.246 4.501 -21.350 437 HE3 LYS 58 3HE LYS 58 -3.542 4.949 -21.282 438 HZ1 LYS 58 1HZ LYS 58 -3.511 2.713 -20.780 439 HZ2 LYS 58 2HZ LYS 58 -4.940 2.770 -19.877 440 HZ3 LYS 58 3HZ LYS 58 -3.510 3.407 -19.237 441 H VAL 59 H VAL 59 -7.191 10.397 -18.387 442 HA VAL 59 HA VAL 59 -10.000 10.192 -17.555 443 HB VAL 59 HB VAL 59 -8.807 11.781 -16.232 444 HG11 VAL 59 1HG1 VAL 59 -7.897 12.990 -18.840 445 HG12 VAL 59 2HG1 VAL 59 -7.649 13.722 -17.253 446 HG13 VAL 59 3HG1 VAL 59 -6.894 12.175 -17.640 447 HG21 VAL 59 1HG2 VAL 59 -11.080 12.411 -16.939 448 HG22 VAL 59 2HG2 VAL 59 -10.054 13.818 -16.656 449 HG23 VAL 59 3HG2 VAL 59 -10.395 13.292 -18.304 450 H ASN 60 H ASN 60 -11.661 10.957 -18.817 451 HA ASN 60 HA ASN 60 -10.966 11.495 -21.621 452 HB2 ASN 60 2HB ASN 60 -13.700 10.726 -20.617 453 HB3 ASN 60 3HB ASN 60 -13.056 10.587 -22.251 454 HD21 ASN 60 1HD2 ASN 60 -10.725 9.338 -21.964 455 HD22 ASN 60 2HD2 ASN 60 -10.936 7.774 -21.259 456 H PHE 61 H PHE 61 -12.101 13.126 -22.780 457 HA PHE 61 HA PHE 61 -12.439 15.533 -21.333 458 HB2 PHE 61 2HB PHE 61 -12.927 16.554 -23.430 459 HB3 PHE 61 3HB PHE 61 -11.722 15.312 -23.750 460 HD1 PHE 61 HD1 PHE 61 -14.994 16.541 -24.519 461 HD2 PHE 61 HD2 PHE 61 -12.492 13.102 -24.693 462 HE1 PHE 61 HE1 PHE 61 -16.472 15.557 -26.222 463 HE2 PHE 61 HE2 PHE 61 -13.965 12.112 -26.397 464 HZ PHE 61 HZ PHE 61 -15.957 13.340 -27.165 465 H ASP 62 H ASP 62 -14.494 12.924 -21.761 466 HA ASP 62 HA ASP 62 -16.955 14.473 -21.666 467 HB2 ASP 62 2HB ASP 62 -16.720 11.476 -21.441 468 HB3 ASP 62 3HB ASP 62 -18.108 12.423 -21.971 469 H THR 63 H THR 63 -14.696 13.260 -19.498 470 HA THR 63 HA THR 63 -16.674 13.190 -17.315 471 HB THR 63 HB THR 63 -13.891 12.082 -17.071 472 HG1 THR 63 HG1 THR 63 -15.189 11.155 -18.901 473 HG21 THR 63 1HG2 THR 63 -16.515 11.497 -15.695 474 HG22 THR 63 2HG2 THR 63 -15.128 12.344 -15.009 475 HG23 THR 63 3HG2 THR 63 -15.010 10.628 -15.401 476 H GLN 64 H GLN 64 -13.834 14.729 -18.547 477 HA GLN 64 HA GLN 64 -13.543 16.273 -16.061 478 HB2 GLN 64 2HB GLN 64 -11.638 15.082 -17.768 479 HB3 GLN 64 3HB GLN 64 -11.479 16.820 -17.986 480 HG2 GLN 64 2HG GLN 64 -11.507 16.849 -15.373 481 HG3 GLN 64 3HG GLN 64 -11.021 15.164 -15.556 482 HE21 GLN 64 1HE2 GLN 64 -9.435 15.328 -17.798 483 HE22 GLN 64 2HE2 GLN 64 -8.027 16.261 -17.436 484 H LYS 65 H LYS 65 -15.525 16.607 -18.325 485 HA LYS 65 HA LYS 65 -15.066 18.728 -19.974 486 HB2 LYS 65 2HB LYS 65 -17.167 17.587 -20.062 487 HB3 LYS 65 3HB LYS 65 -17.553 18.044 -18.408 488 HG2 LYS 65 2HG LYS 65 -18.381 20.022 -19.025 489 HG3 LYS 65 3HG LYS 65 -17.065 20.324 -20.162 490 HD2 LYS 65 2HD LYS 65 -18.997 20.181 -21.492 491 HD3 LYS 65 3HD LYS 65 -18.202 18.615 -21.675 492 HE2 LYS 65 2HE LYS 65 -19.997 17.564 -20.893 493 HE3 LYS 65 3HE LYS 65 -19.977 18.542 -19.426 494 HZ1 LYS 65 1HZ LYS 65 -21.375 19.102 -21.973 495 HZ2 LYS 65 2HZ LYS 65 -21.114 20.303 -20.811 496 HZ3 LYS 65 3HZ LYS 65 -22.041 18.942 -20.426 497 H ALA 66 H ALA 66 -15.556 18.801 -16.512 498 HA ALA 66 HA ALA 66 -16.103 21.497 -16.117 499 HB1 ALA 66 1HB ALA 66 -16.257 19.894 -14.318 500 HB2 ALA 66 2HB ALA 66 -14.516 19.617 -14.374 501 HB3 ALA 66 3HB ALA 66 -15.144 21.185 -13.865 502 H ALA 67 H ALA 67 -13.023 19.863 -16.637 503 HA ALA 67 HA ALA 67 -11.367 22.090 -16.064 504 HB1 ALA 67 1HB ALA 67 -10.052 20.265 -16.033 505 HB2 ALA 67 2HB ALA 67 -11.021 19.415 -17.238 506 HB3 ALA 67 3HB ALA 67 -9.846 20.627 -17.747 507 H LEU 68 H LEU 68 -12.233 20.635 -19.209 508 HA LEU 68 HA LEU 68 -11.155 22.695 -20.778 509 HB2 LEU 68 2HB LEU 68 -12.815 21.787 -22.517 510 HB3 LEU 68 3HB LEU 68 -11.544 20.722 -21.920 511 HG LEU 68 HG LEU 68 -13.462 19.996 -20.235 512 HD11 LEU 68 1HD1 LEU 68 -14.932 21.038 -22.647 513 HD12 LEU 68 2HD1 LEU 68 -15.150 21.518 -20.965 514 HD13 LEU 68 3HD1 LEU 68 -15.617 19.900 -21.487 515 HD21 LEU 68 1HD2 LEU 68 -12.553 19.070 -22.850 516 HD22 LEU 68 2HD2 LEU 68 -14.156 18.480 -22.408 517 HD23 LEU 68 3HD2 LEU 68 -12.780 18.179 -21.345 518 H GLN 69 H GLN 69 -14.170 22.419 -19.089 519 HA GLN 69 HA GLN 69 -15.420 24.598 -20.522 520 HB2 GLN 69 2HB GLN 69 -16.698 22.652 -19.581 521 HB3 GLN 69 3HB GLN 69 -16.335 23.263 -17.972 522 HG2 GLN 69 2HG GLN 69 -18.579 23.883 -18.732 523 HG3 GLN 69 3HG GLN 69 -17.562 25.288 -18.416 524 HE21 GLN 69 1HE2 GLN 69 -18.565 23.140 -21.046 525 HE22 GLN 69 2HE2 GLN 69 -18.625 24.368 -22.260 526 H GLN 70 H GLN 70 -13.437 24.174 -17.742 527 HA GLN 70 HA GLN 70 -14.149 26.755 -16.606 528 HB2 GLN 70 2HB GLN 70 -13.735 24.950 -15.049 529 HB3 GLN 70 3HB GLN 70 -12.150 24.658 -15.751 530 HG2 GLN 70 2HG GLN 70 -11.217 26.507 -14.764 531 HG3 GLN 70 3HG GLN 70 -12.763 27.342 -14.619 532 HE21 GLN 70 1HE2 GLN 70 -13.397 27.554 -12.608 533 HE22 GLN 70 2HE2 GLN 70 -13.128 26.431 -11.324 534 H PHE 71 H PHE 71 -11.502 25.227 -18.346 535 HA PHE 71 HA PHE 71 -10.000 27.742 -18.319 536 HB2 PHE 71 2HB PHE 71 -9.143 25.161 -18.017 537 HB3 PHE 71 3HB PHE 71 -8.828 25.441 -19.726 538 HD1 PHE 71 HD1 PHE 71 -7.056 26.835 -20.437 539 HD2 PHE 71 HD2 PHE 71 -8.091 26.625 -16.314 540 HE1 PHE 71 HE1 PHE 71 -4.986 28.033 -19.860 541 HE2 PHE 71 HE2 PHE 71 -6.024 27.824 -15.731 542 HZ PHE 71 HZ PHE 71 -4.468 28.531 -17.505 543 H ARG 72 H ARG 72 -12.263 26.188 -20.182 544 HA ARG 72 HA ARG 72 -13.066 26.508 -22.285 545 HB2 ARG 72 2HB ARG 72 -11.177 28.863 -22.406 546 HB3 ARG 72 3HB ARG 72 -12.606 28.603 -23.398 547 HG2 ARG 72 2HG ARG 72 -13.904 29.576 -21.891 548 HG3 ARG 72 3HG ARG 72 -13.296 28.526 -20.610 549 HD2 ARG 72 2HD ARG 72 -12.577 30.518 -19.788 550 HD3 ARG 72 3HD ARG 72 -11.198 30.145 -20.822 551 HE ARG 72 HE ARG 72 -11.773 31.906 -22.167 552 HH11 ARG 72 1HH1 ARG 72 -14.455 31.133 -20.085 553 HH12 ARG 72 2HH1 ARG 72 -15.380 32.525 -20.543 554 HH21 ARG 72 1HH2 ARG 72 -12.981 33.742 -22.777 555 HH22 ARG 72 2HH2 ARG 72 -14.541 34.008 -22.075 556 H VAL 73 H VAL 73 -11.330 24.529 -22.222 557 HA VAL 73 HA VAL 73 -9.583 24.950 -24.561 558 HB VAL 73 HB VAL 73 -8.634 24.278 -22.161 559 HG11 VAL 73 1HG1 VAL 73 -8.557 22.030 -21.684 560 HG12 VAL 73 2HG1 VAL 73 -10.175 22.173 -22.371 561 HG13 VAL 73 3HG1 VAL 73 -8.849 21.553 -23.356 562 HG21 VAL 73 1HG2 VAL 73 -7.128 22.690 -23.948 563 HG22 VAL 73 2HG2 VAL 73 -7.759 24.055 -24.868 564 HG23 VAL 73 3HG2 VAL 73 -6.801 24.339 -23.415 565 H SER 74 H SER 74 -9.054 22.685 -25.581 566 HA SER 74 HA SER 74 -11.229 20.796 -25.537 567 HB2 SER 74 2HB SER 74 -11.870 22.809 -27.080 568 HB3 SER 74 3HB SER 74 -10.734 22.071 -28.209 569 HG SER 74 HG SER 74 -13.257 21.343 -27.620 570 H GLN 75 H GLN 75 -9.065 19.831 -24.841 571 HA GLN 75 HA GLN 75 -8.111 18.192 -26.979 572 HB2 GLN 75 2HB GLN 75 -6.663 20.596 -26.371 573 HB3 GLN 75 3HB GLN 75 -5.680 19.201 -25.950 574 HG2 GLN 75 2HG GLN 75 -5.788 18.350 -28.163 575 HG3 GLN 75 3HG GLN 75 -7.017 19.529 -28.620 576 HE21 GLN 75 1HE2 GLN 75 -6.336 21.259 -29.655 577 HE22 GLN 75 2HE2 GLN 75 -4.722 21.876 -29.656 578 H GLN 76 H GLN 76 -7.073 16.347 -26.249 579 HA GLN 76 HA GLN 76 -6.932 16.065 -23.320 580 HB2 GLN 76 2HB GLN 76 -7.204 13.530 -24.016 581 HB3 GLN 76 3HB GLN 76 -8.602 14.580 -23.830 582 HG2 GLN 76 2HG GLN 76 -8.670 13.163 -25.856 583 HG3 GLN 76 3HG GLN 76 -8.772 14.891 -26.190 584 HE21 GLN 76 1HE2 GLN 76 -6.754 12.052 -26.349 585 HE22 GLN 76 2HE2 GLN 76 -5.614 12.683 -27.483 586 H SER 77 H SER 77 -4.711 16.870 -23.561 587 HA SER 77 HA SER 77 -2.883 14.641 -24.046 588 HB2 SER 77 2HB SER 77 -2.740 15.820 -26.128 589 HB3 SER 77 3HB SER 77 -2.635 17.378 -25.308 590 HG SER 77 HG SER 77 -0.704 15.454 -24.708 591 H THR 78 H THR 78 -4.029 16.510 -21.833 592 HA THR 78 HA THR 78 -1.847 17.926 -20.734 593 HB THR 78 HB THR 78 -4.377 16.862 -19.481 594 HG1 THR 78 HG1 THR 78 -3.480 19.446 -20.281 595 HG21 THR 78 1HG2 THR 78 -3.773 18.456 -17.594 596 HG22 THR 78 2HG2 THR 78 -2.133 18.442 -18.242 597 HG23 THR 78 3HG2 THR 78 -2.866 16.946 -17.664 598 H LEU 79 H LEU 79 -0.225 17.330 -19.404 599 HA LEU 79 HA LEU 79 -0.271 14.674 -18.184 600 HB2 LEU 79 2HB LEU 79 0.990 14.933 -20.520 601 HB3 LEU 79 3HB LEU 79 2.277 15.498 -19.457 602 HG LEU 79 HG LEU 79 0.997 12.778 -19.545 603 HD11 LEU 79 1HD1 LEU 79 2.827 13.239 -21.116 604 HD12 LEU 79 2HD1 LEU 79 3.270 12.028 -19.913 605 HD13 LEU 79 3HD1 LEU 79 3.865 13.682 -19.761 606 HD21 LEU 79 1HD2 LEU 79 1.129 13.080 -17.251 607 HD22 LEU 79 2HD2 LEU 79 2.570 14.090 -17.363 608 HD23 LEU 79 3HD2 LEU 79 2.688 12.351 -17.633 609 H ILE 80 H ILE 80 0.491 14.689 -16.164 610 HA ILE 80 HA ILE 80 2.557 16.498 -15.313 611 HB ILE 80 HB ILE 80 0.785 18.071 -15.101 612 HG12 ILE 80 2HG1 ILE 80 0.740 18.478 -12.687 613 HG13 ILE 80 3HG1 ILE 80 1.243 16.819 -12.383 614 HG21 ILE 80 1HG2 ILE 80 -1.315 17.368 -14.967 615 HG22 ILE 80 2HG2 ILE 80 -0.786 15.744 -14.531 616 HG23 ILE 80 3HG2 ILE 80 -1.032 16.957 -13.275 617 HD11 ILE 80 1HD1 ILE 80 3.118 18.292 -12.127 618 HD12 ILE 80 2HD1 ILE 80 3.359 17.290 -13.559 619 HD13 ILE 80 3HD1 ILE 80 2.853 18.970 -13.733 620 H LEU 81 H LEU 81 3.773 14.998 -14.339 621 HA LEU 81 HA LEU 81 2.489 13.054 -12.558 622 HB2 LEU 81 2HB LEU 81 3.891 12.032 -14.184 623 HB3 LEU 81 3HB LEU 81 5.207 13.153 -13.844 624 HG LEU 81 HG LEU 81 5.660 12.097 -11.749 625 HD11 LEU 81 1HD1 LEU 81 3.434 11.640 -10.979 626 HD12 LEU 81 2HD1 LEU 81 4.345 10.131 -10.999 627 HD13 LEU 81 3HD1 LEU 81 3.177 10.472 -12.276 628 HD21 LEU 81 1HD2 LEU 81 6.645 11.024 -13.685 629 HD22 LEU 81 2HD2 LEU 81 5.199 10.039 -13.907 630 HD23 LEU 81 3HD2 LEU 81 6.210 9.812 -12.479 631 H TYR 82 H TYR 82 2.316 13.762 -10.532 632 HA TYR 82 HA TYR 82 4.214 15.629 -9.413 633 HB2 TYR 82 2HB TYR 82 1.829 14.245 -8.168 634 HB3 TYR 82 3HB TYR 82 2.773 15.518 -7.403 635 HD1 TYR 82 HD1 TYR 82 2.690 17.826 -8.292 636 HD2 TYR 82 HD2 TYR 82 0.189 14.749 -9.835 637 HE1 TYR 82 HE1 TYR 82 1.251 19.526 -9.334 638 HE2 TYR 82 HE2 TYR 82 -1.256 16.441 -10.882 639 HH TYR 82 HH TYR 82 -1.696 19.140 -10.233 640 H ARG 83 H ARG 83 5.946 15.140 -8.239 641 HA ARG 83 HA ARG 83 6.220 12.377 -7.252 642 HB2 ARG 83 2HB ARG 83 7.826 12.935 -9.020 643 HB3 ARG 83 3HB ARG 83 8.383 14.318 -8.086 644 HG2 ARG 83 2HG ARG 83 8.899 12.542 -6.260 645 HG3 ARG 83 3HG ARG 83 8.835 11.409 -7.611 646 HD2 ARG 83 2HD ARG 83 11.112 12.105 -7.293 647 HD3 ARG 83 3HD ARG 83 10.509 12.806 -8.794 648 HE ARG 83 HE ARG 83 10.082 14.680 -6.794 649 HH11 ARG 83 1HH1 ARG 83 12.777 13.084 -8.315 650 HH12 ARG 83 2HH1 ARG 83 13.869 14.405 -8.063 651 HH21 ARG 83 1HH2 ARG 83 11.511 16.426 -6.457 652 HH22 ARG 83 2HH2 ARG 83 13.148 16.305 -7.005 653 H ASN 84 H ASN 84 5.539 12.538 -5.173 654 HA ASN 84 HA ASN 84 5.657 12.974 -2.942 655 HB2 ASN 84 2HB ASN 84 8.232 12.938 -3.667 656 HB3 ASN 84 3HB ASN 84 8.117 14.630 -3.192 657 HD21 ASN 84 1HD2 ASN 84 9.213 14.641 -1.331 658 HD22 ASN 84 2HD2 ASN 84 8.814 13.690 0.055 659 H GLY 85 H GLY 85 4.250 14.735 -4.718 660 HA2 GLY 85 2HA GLY 85 2.972 16.636 -4.382 661 HA3 GLY 85 3HA GLY 85 3.888 16.951 -2.916 662 H GLN 86 H GLN 86 5.425 16.460 -6.016 663 HA GLN 86 HA GLN 86 5.855 19.342 -6.304 664 HB2 GLN 86 2HB GLN 86 7.949 17.253 -5.877 665 HB3 GLN 86 3HB GLN 86 8.311 18.614 -6.930 666 HG2 GLN 86 2HG GLN 86 7.792 20.160 -5.109 667 HG3 GLN 86 3HG GLN 86 7.442 18.792 -4.054 668 HE21 GLN 86 1HE2 GLN 86 9.345 17.092 -4.215 669 HE22 GLN 86 2HE2 GLN 86 10.909 17.770 -3.936 670 H GLU 87 H GLU 87 5.732 20.022 -8.355 671 HA GLU 87 HA GLU 87 5.137 18.103 -10.419 672 HB2 GLU 87 2HB GLU 87 4.836 20.125 -11.846 673 HB3 GLU 87 3HB GLU 87 3.859 20.138 -10.385 674 HG2 GLU 87 2HG GLU 87 4.658 22.153 -9.958 675 HG3 GLU 87 3HG GLU 87 6.231 21.410 -9.674 676 H VAL 88 H VAL 88 6.693 17.062 -11.461 677 HA VAL 88 HA VAL 88 9.360 18.178 -11.670 678 HB VAL 88 HB VAL 88 8.257 15.546 -12.664 679 HG11 VAL 88 1HG1 VAL 88 10.970 15.258 -12.414 680 HG12 VAL 88 2HG1 VAL 88 10.104 15.524 -13.928 681 HG13 VAL 88 3HG1 VAL 88 10.818 16.888 -13.068 682 HG21 VAL 88 1HG2 VAL 88 8.195 15.453 -10.327 683 HG22 VAL 88 2HG2 VAL 88 9.732 14.697 -10.748 684 HG23 VAL 88 3HG2 VAL 88 9.699 16.359 -10.160 685 H ARG 89 H ARG 89 7.218 16.638 -14.074 686 HA ARG 89 HA ARG 89 7.900 18.774 -15.965 687 HB2 ARG 89 2HB ARG 89 8.633 15.951 -16.157 688 HB3 ARG 89 3HB ARG 89 7.761 16.531 -17.570 689 HG2 ARG 89 2HG ARG 89 9.976 16.906 -18.121 690 HG3 ARG 89 3HG ARG 89 9.439 18.482 -17.537 691 HD2 ARG 89 2HD ARG 89 10.710 18.372 -15.655 692 HD3 ARG 89 3HD ARG 89 10.576 16.618 -15.537 693 HE ARG 89 HE ARG 89 12.115 17.162 -17.778 694 HH11 ARG 89 1HH1 ARG 89 12.294 17.655 -14.337 695 HH12 ARG 89 2HH1 ARG 89 14.025 17.591 -14.286 696 HH21 ARG 89 1HH2 ARG 89 14.394 17.077 -17.725 697 HH22 ARG 89 2HH2 ARG 89 15.218 17.264 -16.214 698 H ARG 90 H ARG 90 6.317 19.262 -17.470 699 HA ARG 90 HA ARG 90 3.953 17.649 -17.742 700 HB2 ARG 90 2HB ARG 90 2.372 19.277 -16.869 701 HB3 ARG 90 3HB ARG 90 3.500 18.797 -15.608 702 HG2 ARG 90 2HG ARG 90 4.313 20.867 -15.378 703 HG3 ARG 90 3HG ARG 90 4.332 21.159 -17.118 704 HD2 ARG 90 2HD ARG 90 1.829 21.418 -16.985 705 HD3 ARG 90 3HD ARG 90 1.999 21.398 -15.230 706 HE ARG 90 HE ARG 90 3.726 23.335 -16.320 707 HH11 ARG 90 1HH1 ARG 90 0.340 22.730 -15.782 708 HH12 ARG 90 2HH1 ARG 90 -0.076 24.409 -15.672 709 HH21 ARG 90 1HH2 ARG 90 3.191 25.548 -16.177 710 HH22 ARG 90 2HH2 ARG 90 1.546 26.010 -15.898 711 H SER 91 H SER 91 2.708 18.222 -19.518 712 HA SER 91 HA SER 91 3.092 20.688 -20.920 713 HB2 SER 91 2HB SER 91 4.737 18.379 -21.619 714 HB3 SER 91 3HB SER 91 3.792 18.974 -22.983 715 HG SER 91 HG SER 91 5.159 20.820 -21.382 716 H ILE 92 H ILE 92 1.724 20.869 -22.803 717 HA ILE 92 HA ILE 92 -0.286 18.750 -23.086 718 HB ILE 92 HB ILE 92 -1.086 20.582 -21.520 719 HG12 ILE 92 2HG1 ILE 92 -2.625 20.062 -24.073 720 HG13 ILE 92 3HG1 ILE 92 -2.631 19.052 -22.632 721 HG21 ILE 92 1HG2 ILE 92 -1.670 22.701 -22.364 722 HG22 ILE 92 2HG2 ILE 92 -0.033 22.399 -22.942 723 HG23 ILE 92 3HG2 ILE 92 -1.404 22.198 -24.033 724 HD11 ILE 92 1HD1 ILE 92 -4.033 21.584 -23.182 725 HD12 ILE 92 2HD1 ILE 92 -4.533 20.185 -22.231 726 HD13 ILE 92 3HD1 ILE 92 -3.414 21.364 -21.546 727 H GLY 93 H GLY 93 -1.226 18.581 -25.112 728 HA2 GLY 93 2HA GLY 93 -1.672 19.231 -27.331 729 HA3 GLY 93 3HA GLY 93 -0.525 20.550 -27.152 730 H GLU 94 H GLU 94 -0.183 17.048 -26.628 731 HA GLU 94 HA GLU 94 1.243 15.513 -27.513 732 HB2 GLU 94 2HB GLU 94 0.194 16.313 -29.654 733 HB3 GLU 94 3HB GLU 94 1.546 17.422 -29.833 734 HG2 GLU 94 2HG GLU 94 2.015 15.538 -31.176 735 HG3 GLU 94 3HG GLU 94 3.068 15.436 -29.765 736 H THR 95 H THR 95 3.109 15.264 -26.494 737 HA THR 95 HA THR 95 5.377 16.929 -27.189 738 HB THR 95 HB THR 95 5.707 16.923 -24.469 739 HG1 THR 95 HG1 THR 95 2.981 16.975 -25.068 740 HG21 THR 95 1HG2 THR 95 5.895 18.752 -26.343 741 HG22 THR 95 2HG2 THR 95 5.698 19.222 -24.654 742 HG23 THR 95 3HG2 THR 95 4.310 19.236 -25.741 743 H SER 96 H SER 96 7.294 16.172 -25.599 744 HA SER 96 HA SER 96 7.164 13.346 -24.979 745 HB2 SER 96 2HB SER 96 8.323 14.331 -27.469 746 HB3 SER 96 3HB SER 96 9.480 13.410 -26.508 747 HG SER 96 HG SER 96 8.401 11.649 -26.916 748 HA PRO 97 HA PRO 97 11.445 15.005 -23.551 749 HB2 PRO 97 2HB PRO 97 12.216 17.465 -24.403 750 HB3 PRO 97 3HB PRO 97 12.553 15.985 -25.309 751 HG2 PRO 97 2HG PRO 97 10.383 18.006 -25.721 752 HG3 PRO 97 3HG PRO 97 11.403 17.197 -26.926 753 HD2 PRO 97 2HD PRO 97 8.863 16.415 -26.405 754 HD3 PRO 97 3HD PRO 97 10.133 15.274 -26.894 755 H SER 98 H SER 98 8.620 16.935 -23.700 756 HA SER 98 HA SER 98 9.392 18.493 -21.340 757 HB2 SER 98 2HB SER 98 6.862 18.758 -22.974 758 HB3 SER 98 3HB SER 98 7.514 19.913 -21.812 759 HG SER 98 HG SER 98 8.643 20.722 -23.374 760 H ALA 99 H ALA 99 6.651 16.524 -22.487 761 HA ALA 99 HA ALA 99 5.665 16.222 -19.775 762 HB1 ALA 99 1HB ALA 99 4.476 16.213 -22.291 763 HB2 ALA 99 2HB ALA 99 4.346 14.549 -21.722 764 HB3 ALA 99 3HB ALA 99 3.697 15.867 -20.747 765 H LEU 100 H LEU 100 6.371 13.877 -22.374 766 HA LEU 100 HA LEU 100 6.444 11.596 -20.838 767 HB2 LEU 100 2HB LEU 100 6.591 11.030 -23.015 768 HB3 LEU 100 3HB LEU 100 7.585 12.427 -23.420 769 HG LEU 100 HG LEU 100 9.532 11.212 -22.392 770 HD11 LEU 100 1HD1 LEU 100 7.633 9.543 -21.369 771 HD12 LEU 100 2HD1 LEU 100 9.352 9.171 -21.495 772 HD13 LEU 100 3HD1 LEU 100 8.237 8.615 -22.742 773 HD21 LEU 100 1HD2 LEU 100 9.999 10.762 -24.511 774 HD22 LEU 100 2HD2 LEU 100 8.289 10.904 -24.920 775 HD23 LEU 100 3HD2 LEU 100 8.957 9.340 -24.451 776 H SER 101 H SER 101 8.772 14.146 -21.020 777 HA SER 101 HA SER 101 11.093 12.869 -20.184 778 HB2 SER 101 2HB SER 101 10.162 15.571 -20.430 779 HB3 SER 101 3HB SER 101 11.015 15.395 -18.896 780 HG SER 101 HG SER 101 12.157 14.298 -21.205 781 H ASP 102 H ASP 102 8.188 13.471 -18.468 782 HA ASP 102 HA ASP 102 9.402 13.219 -15.845 783 HB2 ASP 102 2HB ASP 102 7.201 14.539 -16.652 784 HB3 ASP 102 3HB ASP 102 6.458 13.020 -16.160 785 H PHE 103 H PHE 103 7.907 11.210 -18.223 786 HA PHE 103 HA PHE 103 7.213 9.068 -16.451 787 HB2 PHE 103 2HB PHE 103 6.552 9.718 -19.037 788 HB3 PHE 103 3HB PHE 103 7.654 8.364 -19.266 789 HD1 PHE 103 HD1 PHE 103 4.346 9.137 -19.066 790 HD2 PHE 103 HD2 PHE 103 7.158 6.434 -17.362 791 HE1 PHE 103 HE1 PHE 103 2.521 7.571 -18.545 792 HE2 PHE 103 HE2 PHE 103 5.338 4.864 -16.839 793 HZ PHE 103 HZ PHE 103 3.016 5.431 -17.431 794 H LEU 104 H LEU 104 10.064 10.062 -18.128 795 HA LEU 104 HA LEU 104 11.357 7.472 -17.782 796 HB2 LEU 104 2HB LEU 104 13.114 8.302 -19.111 797 HB3 LEU 104 3HB LEU 104 11.622 8.874 -19.856 798 HG LEU 104 HG LEU 104 12.168 11.024 -18.392 799 HD11 LEU 104 1HD1 LEU 104 14.745 9.542 -18.629 800 HD12 LEU 104 2HD1 LEU 104 14.116 10.505 -17.292 801 HD13 LEU 104 3HD1 LEU 104 14.743 11.303 -18.734 802 HD21 LEU 104 1HD2 LEU 104 13.018 12.038 -20.354 803 HD22 LEU 104 2HD2 LEU 104 11.909 10.775 -20.890 804 HD23 LEU 104 3HD2 LEU 104 13.652 10.507 -20.958 805 H THR 105 H THR 105 10.920 10.326 -16.055 806 HA THR 105 HA THR 105 13.310 9.789 -14.414 807 HB THR 105 HB THR 105 11.906 12.414 -14.225 808 HG1 THR 105 HG1 THR 105 12.417 11.735 -16.544 809 HG21 THR 105 1HG2 THR 105 14.126 13.221 -13.723 810 HG22 THR 105 2HG2 THR 105 14.832 11.668 -14.171 811 HG23 THR 105 3HG2 THR 105 13.802 11.791 -12.745 812 H ARG 106 H ARG 106 10.109 9.253 -14.486 813 HA ARG 106 HA ARG 106 9.904 8.615 -11.754 814 HB2 ARG 106 2HB ARG 106 9.767 11.119 -11.608 815 HB3 ARG 106 3HB ARG 106 8.282 11.036 -12.546 816 HG2 ARG 106 2HG ARG 106 7.783 11.246 -10.191 817 HG3 ARG 106 3HG ARG 106 7.259 9.670 -10.788 818 HD2 ARG 106 2HD ARG 106 8.428 9.657 -8.557 819 HD3 ARG 106 3HD ARG 106 9.098 8.574 -9.776 820 HE ARG 106 HE ARG 106 10.394 11.117 -9.760 821 HH11 ARG 106 1HH1 ARG 106 10.247 8.026 -8.165 822 HH12 ARG 106 2HH1 ARG 106 11.879 8.100 -7.587 823 HH21 ARG 106 1HH2 ARG 106 12.544 11.227 -9.005 824 HH22 ARG 106 2HH2 ARG 106 13.184 9.922 -8.064 Start of MODEL 5 1 H GLN 1 H GLN 1 3.639 -1.986 -2.254 2 HA GLN 1 HA GLN 1 1.367 -2.058 -4.086 3 HB2 GLN 1 2HB GLN 1 1.920 -0.809 -1.450 4 HB3 GLN 1 3HB GLN 1 0.816 0.046 -2.518 5 HG2 GLN 1 2HG GLN 1 -0.775 -1.243 -1.666 6 HG3 GLN 1 3HG GLN 1 -0.092 -2.540 -2.645 7 HE21 GLN 1 1HE2 GLN 1 -0.762 -1.440 0.478 8 HE22 GLN 1 2HE2 GLN 1 0.038 -2.693 1.358 9 H ALA 2 H ALA 2 1.663 -1.080 -5.976 10 HA ALA 2 HA ALA 2 2.423 1.697 -6.054 11 HB1 ALA 2 1HB ALA 2 4.633 0.905 -6.114 12 HB2 ALA 2 2HB ALA 2 4.220 -0.416 -7.209 13 HB3 ALA 2 3HB ALA 2 4.223 1.248 -7.795 14 H ALA 3 H ALA 3 0.145 1.526 -6.776 15 HA ALA 3 HA ALA 3 -0.052 1.807 -9.571 16 HB1 ALA 3 1HB ALA 3 -0.720 -0.858 -8.455 17 HB2 ALA 3 2HB ALA 3 -1.788 -0.198 -9.694 18 HB3 ALA 3 3HB ALA 3 -0.072 -0.419 -10.036 19 H SER 4 H SER 4 -1.709 3.131 -9.964 20 HA SER 4 HA SER 4 -4.203 2.942 -8.552 21 HB2 SER 4 2HB SER 4 -2.161 4.722 -7.561 22 HB3 SER 4 3HB SER 4 -3.551 5.650 -8.125 23 HG SER 4 HG SER 4 -4.555 5.032 -6.400 24 H VAL 5 H VAL 5 -5.081 2.744 -10.609 25 HA VAL 5 HA VAL 5 -4.858 5.104 -12.355 26 HB VAL 5 HB VAL 5 -5.609 3.692 -14.189 27 HG11 VAL 5 1HG1 VAL 5 -3.483 2.027 -12.946 28 HG12 VAL 5 2HG1 VAL 5 -3.587 2.701 -14.574 29 HG13 VAL 5 3HG1 VAL 5 -3.153 3.738 -13.215 30 HG21 VAL 5 1HG2 VAL 5 -5.835 1.591 -12.051 31 HG22 VAL 5 2HG2 VAL 5 -7.078 2.155 -13.167 32 HG23 VAL 5 3HG2 VAL 5 -5.728 1.191 -13.765 33 H GLU 6 H GLU 6 -6.592 6.341 -12.720 34 HA GLU 6 HA GLU 6 -9.215 5.341 -11.819 35 HB2 GLU 6 2HB GLU 6 -7.772 7.802 -11.175 36 HB3 GLU 6 3HB GLU 6 -9.413 8.092 -11.735 37 HG2 GLU 6 2HG GLU 6 -10.051 7.725 -9.645 38 HG3 GLU 6 3HG GLU 6 -9.714 6.021 -9.948 39 HA PRO 7 HA PRO 7 -10.088 5.999 -16.168 40 HB2 PRO 7 2HB PRO 7 -12.556 4.872 -16.086 41 HB3 PRO 7 3HB PRO 7 -11.068 3.921 -16.147 42 HG2 PRO 7 2HG PRO 7 -12.781 4.608 -13.790 43 HG3 PRO 7 3HG PRO 7 -12.018 3.062 -14.206 44 HD2 PRO 7 2HD PRO 7 -10.975 4.753 -12.366 45 HD3 PRO 7 3HD PRO 7 -9.963 3.713 -13.388 46 H TYR 8 H TYR 8 -10.343 8.192 -16.366 47 HA TYR 8 HA TYR 8 -11.331 10.253 -16.326 48 HB2 TYR 8 2HB TYR 8 -14.069 9.398 -16.612 49 HB3 TYR 8 3HB TYR 8 -13.014 10.158 -17.797 50 HD1 TYR 8 HD1 TYR 8 -14.747 7.187 -16.898 51 HD2 TYR 8 HD2 TYR 8 -11.359 8.613 -19.041 52 HE1 TYR 8 HE1 TYR 8 -14.673 5.083 -18.169 53 HE2 TYR 8 HE2 TYR 8 -11.276 6.513 -20.319 54 HH TYR 8 HH TYR 8 -13.816 4.239 -20.284 55 H SER 9 H SER 9 -10.978 10.813 -14.166 56 HA SER 9 HA SER 9 -13.382 11.177 -12.624 57 HB2 SER 9 2HB SER 9 -11.794 8.898 -12.087 58 HB3 SER 9 3HB SER 9 -11.494 10.042 -10.779 59 HG SER 9 HG SER 9 -13.454 9.736 -10.074 60 H ASP 10 H ASP 10 -13.068 13.344 -12.579 61 HA ASP 10 HA ASP 10 -10.658 14.701 -12.306 62 HB2 ASP 10 2HB ASP 10 -13.234 15.460 -12.692 63 HB3 ASP 10 3HB ASP 10 -13.000 15.967 -11.021 64 H ALA 11 H ALA 11 -12.821 13.411 -9.849 65 HA ALA 11 HA ALA 11 -11.657 14.637 -7.604 66 HB1 ALA 11 1HB ALA 11 -12.613 12.497 -6.445 67 HB2 ALA 11 2HB ALA 11 -13.703 13.699 -7.136 68 HB3 ALA 11 3HB ALA 11 -13.349 12.216 -8.023 69 H ALA 12 H ALA 12 -10.487 12.194 -9.667 70 HA ALA 12 HA ALA 12 -8.724 11.000 -7.695 71 HB1 ALA 12 1HB ALA 12 -8.705 10.530 -10.667 72 HB2 ALA 12 2HB ALA 12 -8.066 9.487 -9.396 73 HB3 ALA 12 3HB ALA 12 -9.808 9.706 -9.564 74 H PHE 13 H PHE 13 -8.565 13.290 -10.351 75 HA PHE 13 HA PHE 13 -5.852 13.459 -10.792 76 HB2 PHE 13 2HB PHE 13 -7.634 14.709 -12.033 77 HB3 PHE 13 3HB PHE 13 -7.731 15.825 -10.674 78 HD1 PHE 13 HD1 PHE 13 -5.674 14.668 -13.477 79 HD2 PHE 13 HD2 PHE 13 -6.022 17.463 -10.286 80 HE1 PHE 13 HE1 PHE 13 -3.854 16.004 -14.454 81 HE2 PHE 13 HE2 PHE 13 -4.204 18.804 -11.258 82 HZ PHE 13 HZ PHE 13 -3.117 18.076 -13.345 83 H THR 14 H THR 14 -7.733 14.770 -8.137 84 HA THR 14 HA THR 14 -5.494 16.241 -7.048 85 HB THR 14 HB THR 14 -7.295 16.229 -5.023 86 HG1 THR 14 HG1 THR 14 -8.691 14.909 -6.462 87 HG21 THR 14 1HG2 THR 14 -6.334 18.044 -6.857 88 HG22 THR 14 2HG2 THR 14 -7.407 18.416 -5.508 89 HG23 THR 14 3HG2 THR 14 -8.077 18.114 -7.111 90 H GLN 15 H GLN 15 -7.505 13.519 -5.915 91 HA GLN 15 HA GLN 15 -6.046 12.866 -3.656 92 HB2 GLN 15 2HB GLN 15 -7.439 10.906 -5.486 93 HB3 GLN 15 3HB GLN 15 -7.067 10.669 -3.783 94 HG2 GLN 15 2HG GLN 15 -8.623 13.070 -4.236 95 HG3 GLN 15 3HG GLN 15 -9.430 11.624 -4.840 96 HE21 GLN 15 1HE2 GLN 15 -11.019 11.724 -3.262 97 HE22 GLN 15 2HE2 GLN 15 -10.706 11.327 -1.610 98 H ALA 16 H ALA 16 -5.292 12.333 -6.988 99 HA ALA 16 HA ALA 16 -3.338 10.281 -6.547 100 HB1 ALA 16 1HB ALA 16 -4.105 10.140 -8.690 101 HB2 ALA 16 2HB ALA 16 -4.254 11.888 -8.871 102 HB3 ALA 16 3HB ALA 16 -2.667 11.124 -8.962 103 H GLN 17 H GLN 17 -3.341 13.768 -6.646 104 HA GLN 17 HA GLN 17 -0.440 13.918 -6.696 105 HB2 GLN 17 2HB GLN 17 -0.670 16.175 -7.098 106 HB3 GLN 17 3HB GLN 17 -2.168 15.564 -7.788 107 HG2 GLN 17 2HG GLN 17 -3.122 17.169 -6.566 108 HG3 GLN 17 3HG GLN 17 -2.936 16.026 -5.236 109 HE21 GLN 17 1HE2 GLN 17 -2.785 17.627 -3.690 110 HE22 GLN 17 2HE2 GLN 17 -1.400 18.647 -3.537 111 H ALA 18 H ALA 18 -2.993 13.837 -4.402 112 HA ALA 18 HA ALA 18 -1.402 15.023 -2.276 113 HB1 ALA 18 1HB ALA 18 -4.215 14.389 -2.694 114 HB2 ALA 18 2HB ALA 18 -3.641 13.975 -1.078 115 HB3 ALA 18 3HB ALA 18 -3.469 15.624 -1.679 116 H SER 19 H SER 19 -1.110 12.232 -3.743 117 HA SER 19 HA SER 19 -1.101 10.478 -1.419 118 HB2 SER 19 2HB SER 19 -0.517 9.983 -4.344 119 HB3 SER 19 3HB SER 19 -0.384 8.741 -3.099 120 HG SER 19 HG SER 19 -2.570 9.604 -4.378 121 H GLY 20 H GLY 20 1.121 12.201 -3.493 122 HA2 GLY 20 2HA GLY 20 3.293 12.846 -2.852 123 HA3 GLY 20 3HA GLY 20 3.279 11.591 -1.622 124 H ALA 21 H ALA 21 2.275 9.648 -3.706 125 HA ALA 21 HA ALA 21 4.883 8.772 -4.564 126 HB1 ALA 21 1HB ALA 21 2.363 7.556 -4.076 127 HB2 ALA 21 2HB ALA 21 2.848 7.179 -5.730 128 HB3 ALA 21 3HB ALA 21 3.919 6.784 -4.385 129 HA PRO 22 HA PRO 22 4.911 10.116 -8.741 130 HB2 PRO 22 2HB PRO 22 5.739 7.923 -10.111 131 HB3 PRO 22 3HB PRO 22 6.808 8.860 -9.060 132 HG2 PRO 22 2HG PRO 22 5.366 6.298 -8.495 133 HG3 PRO 22 3HG PRO 22 7.032 6.757 -8.094 134 HD2 PRO 22 2HD PRO 22 5.021 6.839 -6.282 135 HD3 PRO 22 3HD PRO 22 6.385 7.975 -6.247 136 H VAL 23 H VAL 23 3.168 10.571 -9.920 137 HA VAL 23 HA VAL 23 1.570 8.369 -11.009 138 HB VAL 23 HB VAL 23 0.370 10.792 -9.658 139 HG11 VAL 23 1HG1 VAL 23 -0.861 10.056 -11.664 140 HG12 VAL 23 2HG1 VAL 23 -0.999 8.442 -10.963 141 HG13 VAL 23 3HG1 VAL 23 -1.781 9.815 -10.180 142 HG21 VAL 23 1HG2 VAL 23 -0.347 9.395 -7.928 143 HG22 VAL 23 2HG2 VAL 23 -0.025 7.928 -8.853 144 HG23 VAL 23 3HG2 VAL 23 1.316 8.885 -8.223 145 H LEU 24 H LEU 24 1.191 8.614 -13.115 146 HA LEU 24 HA LEU 24 1.797 11.208 -14.339 147 HB2 LEU 24 2HB LEU 24 2.999 9.160 -15.100 148 HB3 LEU 24 3HB LEU 24 1.456 8.527 -15.673 149 HG LEU 24 HG LEU 24 1.663 11.007 -16.898 150 HD11 LEU 24 1HD1 LEU 24 3.886 11.458 -16.553 151 HD12 LEU 24 2HD1 LEU 24 3.958 10.558 -18.067 152 HD13 LEU 24 3HD1 LEU 24 4.345 9.754 -16.546 153 HD21 LEU 24 1HD2 LEU 24 2.228 9.554 -18.919 154 HD22 LEU 24 2HD2 LEU 24 0.739 9.186 -18.048 155 HD23 LEU 24 3HD2 LEU 24 2.174 8.190 -17.803 156 H VAL 25 H VAL 25 0.407 12.152 -15.868 157 HA VAL 25 HA VAL 25 -2.377 11.189 -15.740 158 HB VAL 25 HB VAL 25 -1.524 14.056 -16.136 159 HG11 VAL 25 1HG1 VAL 25 -4.119 13.807 -15.055 160 HG12 VAL 25 2HG1 VAL 25 -3.657 14.381 -16.659 161 HG13 VAL 25 3HG1 VAL 25 -4.007 12.672 -16.400 162 HG21 VAL 25 1HG2 VAL 25 -1.862 12.463 -13.681 163 HG22 VAL 25 2HG2 VAL 25 -0.921 13.927 -13.964 164 HG23 VAL 25 3HG2 VAL 25 -2.659 14.036 -13.688 165 H ASP 26 H ASP 26 -3.553 11.080 -17.605 166 HA ASP 26 HA ASP 26 -2.401 12.097 -20.085 167 HB2 ASP 26 2HB ASP 26 -2.123 9.399 -19.339 168 HB3 ASP 26 3HB ASP 26 -3.399 9.430 -20.553 169 H VAL 27 H VAL 27 -3.969 13.246 -20.983 170 HA VAL 27 HA VAL 27 -6.755 12.632 -20.428 171 HB VAL 27 HB VAL 27 -5.878 14.836 -22.257 172 HG11 VAL 27 1HG1 VAL 27 -7.849 15.921 -21.509 173 HG12 VAL 27 2HG1 VAL 27 -8.294 14.244 -21.833 174 HG13 VAL 27 3HG1 VAL 27 -8.049 14.788 -20.173 175 HG21 VAL 27 1HG2 VAL 27 -5.298 14.585 -19.373 176 HG22 VAL 27 2HG2 VAL 27 -4.469 15.516 -20.621 177 HG23 VAL 27 3HG2 VAL 27 -5.959 16.131 -19.906 178 H TYR 28 H TYR 28 -8.173 11.765 -21.828 179 HA TYR 28 HA TYR 28 -7.359 11.433 -24.631 180 HB2 TYR 28 2HB TYR 28 -7.418 9.185 -24.571 181 HB3 TYR 28 3HB TYR 28 -7.297 9.357 -22.823 182 HD1 TYR 28 HD1 TYR 28 -9.165 7.949 -25.445 183 HD2 TYR 28 HD2 TYR 28 -9.604 9.680 -21.583 184 HE1 TYR 28 HE1 TYR 28 -11.335 6.818 -25.191 185 HE2 TYR 28 HE2 TYR 28 -11.774 8.553 -21.318 186 HH TYR 28 HH TYR 28 -13.032 6.375 -23.823 187 H ALA 29 H ALA 29 -9.220 10.775 -26.031 188 HA ALA 29 HA ALA 29 -11.788 11.777 -25.004 189 HB1 ALA 29 1HB ALA 29 -10.146 12.981 -27.027 190 HB2 ALA 29 2HB ALA 29 -11.692 12.481 -27.714 191 HB3 ALA 29 3HB ALA 29 -11.654 13.560 -26.319 192 H ASP 30 H ASP 30 -13.555 11.313 -26.763 193 HA ASP 30 HA ASP 30 -14.053 8.639 -26.886 194 HB2 ASP 30 2HB ASP 30 -15.196 10.988 -28.015 195 HB3 ASP 30 3HB ASP 30 -15.111 9.771 -29.286 196 H TRP 31 H TRP 31 -12.106 10.534 -29.098 197 HA TRP 31 HA TRP 31 -10.609 8.357 -30.004 198 HB2 TRP 31 2HB TRP 31 -13.125 8.759 -31.411 199 HB3 TRP 31 3HB TRP 31 -11.740 8.875 -32.492 200 HD1 TRP 31 HD1 TRP 31 -14.078 6.397 -31.468 201 HE1 TRP 31 HE1 TRP 31 -13.117 4.013 -31.594 202 HE3 TRP 31 HE3 TRP 31 -9.104 7.542 -31.766 203 HZ2 TRP 31 HZ2 TRP 31 -10.585 2.780 -31.793 204 HZ3 TRP 31 HZ3 TRP 31 -7.478 5.702 -31.921 205 HH2 TRP 31 HH2 TRP 31 -8.205 3.371 -31.934 206 H CYS 32 H CYS 32 -9.815 10.741 -29.124 207 HA CYS 32 HA CYS 32 -9.415 12.658 -31.210 208 HB2 CYS 32 2HB CYS 32 -8.799 12.427 -28.360 209 HB3 CYS 32 3HB CYS 32 -7.531 13.233 -29.275 210 HG CYS 32 HG CYS 32 -8.678 15.514 -29.101 211 HA PRO 33 HA PRO 33 -5.708 11.265 -33.093 212 HB2 PRO 33 2HB PRO 33 -4.262 13.547 -33.358 213 HB3 PRO 33 3HB PRO 33 -5.702 13.205 -34.324 214 HG2 PRO 33 2HG PRO 33 -5.422 14.910 -31.880 215 HG3 PRO 33 3HG PRO 33 -6.325 15.233 -33.371 216 HD2 PRO 33 2HD PRO 33 -7.521 14.357 -31.105 217 HD3 PRO 33 3HD PRO 33 -8.109 13.924 -32.723 218 H VAL 34 H VAL 34 -5.444 13.009 -30.089 219 HA VAL 34 HA VAL 34 -2.667 12.581 -29.652 220 HB VAL 34 HB VAL 34 -4.804 13.029 -27.566 221 HG11 VAL 34 1HG1 VAL 34 -2.261 12.309 -27.121 222 HG12 VAL 34 2HG1 VAL 34 -2.053 14.057 -27.248 223 HG13 VAL 34 3HG1 VAL 34 -3.161 13.384 -26.052 224 HG21 VAL 34 1HG2 VAL 34 -4.355 15.393 -27.776 225 HG22 VAL 34 2HG2 VAL 34 -3.141 15.087 -29.018 226 HG23 VAL 34 3HG2 VAL 34 -4.841 14.749 -29.344 227 H CYS 35 H CYS 35 -5.559 10.988 -28.305 228 HA CYS 35 HA CYS 35 -4.059 8.954 -26.990 229 HB2 CYS 35 2HB CYS 35 -6.260 9.600 -26.173 230 HB3 CYS 35 3HB CYS 35 -6.998 9.102 -27.690 231 HG CYS 35 HG CYS 35 -5.353 6.540 -26.529 232 H LYS 36 H LYS 36 -5.234 9.379 -30.191 233 HA LYS 36 HA LYS 36 -5.149 6.561 -30.859 234 HB2 LYS 36 2HB LYS 36 -6.818 7.882 -31.973 235 HB3 LYS 36 3HB LYS 36 -5.613 9.044 -32.514 236 HG2 LYS 36 2HG LYS 36 -5.134 6.281 -33.377 237 HG3 LYS 36 3HG LYS 36 -6.597 7.027 -34.024 238 HD2 LYS 36 2HD LYS 36 -4.017 8.534 -34.079 239 HD3 LYS 36 3HD LYS 36 -4.326 7.285 -35.287 240 HE2 LYS 36 2HE LYS 36 -6.495 9.238 -34.813 241 HE3 LYS 36 3HE LYS 36 -5.041 9.852 -35.599 242 HZ1 LYS 36 1HZ LYS 36 -5.743 7.410 -36.787 243 HZ2 LYS 36 2HZ LYS 36 -5.713 8.949 -37.487 244 HZ3 LYS 36 3HZ LYS 36 -7.123 8.387 -36.741 245 H ARG 37 H ARG 37 -3.135 9.406 -31.199 246 HA ARG 37 HA ARG 37 -1.215 7.998 -32.869 247 HB2 ARG 37 2HB ARG 37 -1.742 10.384 -33.290 248 HB3 ARG 37 3HB ARG 37 -1.087 10.786 -31.708 249 HG2 ARG 37 2HG ARG 37 1.067 10.528 -32.376 250 HG3 ARG 37 3HG ARG 37 0.666 9.286 -33.564 251 HD2 ARG 37 2HD ARG 37 -0.025 12.204 -33.865 252 HD3 ARG 37 3HD ARG 37 1.422 11.458 -34.543 253 HE ARG 37 HE ARG 37 -1.254 11.268 -35.551 254 HH11 ARG 37 1HH1 ARG 37 1.838 9.677 -35.379 255 HH12 ARG 37 2HH1 ARG 37 1.597 8.767 -36.833 256 HH21 ARG 37 1HH2 ARG 37 -1.583 10.074 -37.467 257 HH22 ARG 37 2HH2 ARG 37 -0.348 8.994 -38.021 258 H GLN 38 H GLN 38 -1.747 8.737 -29.551 259 HA GLN 38 HA GLN 38 0.965 8.510 -28.684 260 HB2 GLN 38 2HB GLN 38 -0.652 9.730 -27.344 261 HB3 GLN 38 3HB GLN 38 -1.634 8.283 -27.159 262 HG2 GLN 38 2HG GLN 38 -0.288 7.399 -25.573 263 HG3 GLN 38 3HG GLN 38 1.173 8.106 -26.261 264 HE21 GLN 38 1HE2 GLN 38 1.370 10.489 -26.022 265 HE22 GLN 38 2HE2 GLN 38 0.834 11.192 -24.538 266 H GLU 39 H GLU 39 -1.512 6.270 -29.490 267 HA GLU 39 HA GLU 39 -0.868 4.073 -27.913 268 HB2 GLU 39 2HB GLU 39 -1.707 3.912 -30.807 269 HB3 GLU 39 3HB GLU 39 -1.989 2.725 -29.542 270 HG2 GLU 39 2HG GLU 39 -3.355 4.539 -28.382 271 HG3 GLU 39 3HG GLU 39 -3.295 5.394 -29.922 272 H ARG 40 H ARG 40 0.853 5.499 -30.539 273 HA ARG 40 HA ARG 40 2.499 3.161 -31.018 274 HB2 ARG 40 2HB ARG 40 1.891 4.639 -32.886 275 HB3 ARG 40 3HB ARG 40 2.721 5.975 -32.100 276 HG2 ARG 40 2HG ARG 40 4.015 4.919 -33.929 277 HG3 ARG 40 3HG ARG 40 4.842 4.902 -32.370 278 HD2 ARG 40 2HD ARG 40 4.209 2.590 -32.024 279 HD3 ARG 40 3HD ARG 40 3.276 2.596 -33.520 280 HE ARG 40 HE ARG 40 6.003 3.294 -33.965 281 HH11 ARG 40 1HH1 ARG 40 3.851 0.610 -33.432 282 HH12 ARG 40 2HH1 ARG 40 4.861 -0.532 -34.256 283 HH21 ARG 40 1HH2 ARG 40 7.342 1.800 -35.052 284 HH22 ARG 40 2HH2 ARG 40 6.846 0.146 -35.176 285 H GLU 41 H GLU 41 2.623 6.134 -29.211 286 HA GLU 41 HA GLU 41 5.457 5.815 -28.623 287 HB2 GLU 41 2HB GLU 41 3.485 7.895 -27.660 288 HB3 GLU 41 3HB GLU 41 5.221 7.924 -27.383 289 HG2 GLU 41 2HG GLU 41 3.729 8.312 -29.950 290 HG3 GLU 41 3HG GLU 41 4.863 9.401 -29.154 291 H LEU 42 H LEU 42 2.605 4.591 -27.464 292 HA LEU 42 HA LEU 42 2.893 4.734 -24.677 293 HB2 LEU 42 2HB LEU 42 1.095 3.384 -24.596 294 HB3 LEU 42 3HB LEU 42 1.003 3.773 -26.313 295 HG LEU 42 HG LEU 42 2.501 1.596 -26.512 296 HD11 LEU 42 1HD1 LEU 42 1.449 1.537 -23.774 297 HD12 LEU 42 2HD1 LEU 42 2.812 0.677 -24.490 298 HD13 LEU 42 3HD1 LEU 42 1.171 0.068 -24.709 299 HD21 LEU 42 1HD2 LEU 42 -0.189 0.690 -26.071 300 HD22 LEU 42 2HD2 LEU 42 0.690 0.894 -27.587 301 HD23 LEU 42 3HD2 LEU 42 -0.195 2.252 -26.891 302 H THR 43 H THR 43 4.737 3.087 -26.996 303 HA THR 43 HA THR 43 5.598 0.925 -25.298 304 HB THR 43 HB THR 43 7.476 1.297 -27.380 305 HG1 THR 43 HG1 THR 43 6.262 1.711 -29.143 306 HG21 THR 43 1HG2 THR 43 6.808 -0.866 -26.581 307 HG22 THR 43 2HG2 THR 43 6.374 -0.758 -28.287 308 HG23 THR 43 3HG2 THR 43 5.133 -0.575 -27.048 309 HA PRO 44 HA PRO 44 9.691 3.464 -25.123 310 HB2 PRO 44 2HB PRO 44 9.695 5.940 -26.238 311 HB3 PRO 44 3HB PRO 44 10.102 4.477 -27.143 312 HG2 PRO 44 2HG PRO 44 7.523 5.995 -27.056 313 HG3 PRO 44 3HG PRO 44 8.362 5.294 -28.452 314 HD2 PRO 44 2HD PRO 44 6.251 4.086 -27.262 315 HD3 PRO 44 3HD PRO 44 7.571 3.172 -28.020 316 H LEU 45 H LEU 45 6.743 5.425 -25.026 317 HA LEU 45 HA LEU 45 7.620 7.198 -22.998 318 HB2 LEU 45 2HB LEU 45 4.857 6.405 -23.896 319 HB3 LEU 45 3HB LEU 45 5.184 7.688 -22.733 320 HG LEU 45 HG LEU 45 6.070 7.661 -25.618 321 HD11 LEU 45 1HD1 LEU 45 3.931 9.280 -24.242 322 HD12 LEU 45 2HD1 LEU 45 3.652 7.944 -25.358 323 HD13 LEU 45 3HD1 LEU 45 4.426 9.422 -25.929 324 HD21 LEU 45 1HD2 LEU 45 6.631 10.047 -25.133 325 HD22 LEU 45 2HD2 LEU 45 7.662 8.873 -24.315 326 HD23 LEU 45 3HD2 LEU 45 6.385 9.698 -23.421 327 H PHE 46 H PHE 46 6.332 3.989 -22.956 328 HA PHE 46 HA PHE 46 6.178 4.101 -20.015 329 HB2 PHE 46 2HB PHE 46 4.707 2.208 -21.861 330 HB3 PHE 46 3HB PHE 46 4.553 2.284 -20.109 331 HD1 PHE 46 HD1 PHE 46 4.592 5.346 -19.947 332 HD2 PHE 46 HD2 PHE 46 2.423 2.604 -22.375 333 HE1 PHE 46 HE1 PHE 46 2.777 6.992 -20.179 334 HE2 PHE 46 HE2 PHE 46 0.606 4.245 -22.612 335 HZ PHE 46 HZ PHE 46 0.782 6.443 -21.514 336 H ALA 47 H ALA 47 8.400 3.452 -22.024 337 HA ALA 47 HA ALA 47 8.990 0.683 -21.317 338 HB1 ALA 47 1HB ALA 47 9.695 2.438 -23.482 339 HB2 ALA 47 2HB ALA 47 11.143 1.742 -22.754 340 HB3 ALA 47 3HB ALA 47 9.865 0.687 -23.357 341 H GLN 48 H GLN 48 9.530 3.741 -20.068 342 HA GLN 48 HA GLN 48 12.168 3.674 -19.181 343 HB2 GLN 48 2HB GLN 48 9.690 4.937 -18.028 344 HB3 GLN 48 3HB GLN 48 11.267 5.130 -17.274 345 HG2 GLN 48 2HG GLN 48 10.592 5.914 -20.101 346 HG3 GLN 48 3HG GLN 48 10.661 7.015 -18.726 347 HE21 GLN 48 1HE2 GLN 48 12.297 6.142 -21.340 348 HE22 GLN 48 2HE2 GLN 48 13.922 6.392 -20.809 349 HA PRO 49 HA PRO 49 12.375 0.608 -16.049 350 HB2 PRO 49 2HB PRO 49 14.116 1.742 -14.302 351 HB3 PRO 49 3HB PRO 49 14.611 1.103 -15.874 352 HG2 PRO 49 2HG PRO 49 14.056 3.933 -15.069 353 HG3 PRO 49 3HG PRO 49 15.374 3.292 -16.067 354 HD2 PRO 49 2HD PRO 49 13.185 4.477 -17.131 355 HD3 PRO 49 3HD PRO 49 14.054 3.164 -17.951 356 H ALA 50 H ALA 50 11.561 3.886 -15.114 357 HA ALA 50 HA ALA 50 10.594 3.067 -12.502 358 HB1 ALA 50 1HB ALA 50 10.760 5.222 -11.941 359 HB2 ALA 50 2HB ALA 50 11.612 5.424 -13.472 360 HB3 ALA 50 3HB ALA 50 9.882 5.756 -13.374 361 H GLN 51 H GLN 51 9.413 2.733 -15.512 362 HA GLN 51 HA GLN 51 6.762 3.708 -15.287 363 HB2 GLN 51 2HB GLN 51 7.794 3.185 -17.450 364 HB3 GLN 51 3HB GLN 51 7.859 1.482 -17.013 365 HG2 GLN 51 2HG GLN 51 5.210 2.785 -16.900 366 HG3 GLN 51 3HG GLN 51 5.914 2.536 -18.497 367 HE21 GLN 51 1HE2 GLN 51 7.143 0.194 -18.366 368 HE22 GLN 51 2HE2 GLN 51 6.045 -1.080 -17.973 369 H ARG 52 H ARG 52 8.340 1.139 -13.784 370 HA ARG 52 HA ARG 52 6.035 -0.585 -13.537 371 HB2 ARG 52 2HB ARG 52 7.437 -2.101 -12.491 372 HB3 ARG 52 3HB ARG 52 8.561 -1.239 -13.533 373 HG2 ARG 52 2HG ARG 52 9.770 -1.160 -11.631 374 HG3 ARG 52 3HG ARG 52 8.780 0.273 -11.346 375 HD2 ARG 52 2HD ARG 52 8.260 -0.706 -9.401 376 HD3 ARG 52 3HD ARG 52 7.191 -1.721 -10.368 377 HE ARG 52 HE ARG 52 9.674 -2.933 -10.416 378 HH11 ARG 52 1HH1 ARG 52 7.298 -2.057 -8.027 379 HH12 ARG 52 2HH1 ARG 52 7.707 -3.355 -6.955 380 HH21 ARG 52 1HH2 ARG 52 10.222 -4.646 -9.013 381 HH22 ARG 52 2HH2 ARG 52 9.371 -4.826 -7.516 382 H ASP 53 H ASP 53 7.436 2.056 -11.819 383 HA ASP 53 HA ASP 53 5.589 1.585 -9.571 384 HB2 ASP 53 2HB ASP 53 7.949 1.562 -8.889 385 HB3 ASP 53 3HB ASP 53 8.171 3.163 -9.590 386 H LEU 54 H LEU 54 5.929 3.338 -12.312 387 HA LEU 54 HA LEU 54 4.964 5.872 -11.262 388 HB2 LEU 54 2HB LEU 54 6.165 4.925 -13.735 389 HB3 LEU 54 3HB LEU 54 4.791 5.992 -14.016 390 HG LEU 54 HG LEU 54 5.857 7.765 -12.774 391 HD11 LEU 54 1HD1 LEU 54 8.479 6.793 -12.395 392 HD12 LEU 54 2HD1 LEU 54 7.377 5.627 -11.664 393 HD13 LEU 54 3HD1 LEU 54 7.320 7.320 -11.174 394 HD21 LEU 54 1HD2 LEU 54 7.334 6.430 -14.983 395 HD22 LEU 54 2HD2 LEU 54 8.101 7.792 -14.165 396 HD23 LEU 54 3HD2 LEU 54 6.532 8.000 -14.943 397 H ARG 55 H ARG 55 2.882 6.073 -10.796 398 HA ARG 55 HA ARG 55 0.868 4.324 -11.737 399 HB2 ARG 55 2HB ARG 55 1.004 6.729 -10.037 400 HB3 ARG 55 3HB ARG 55 -0.533 6.486 -10.857 401 HG2 ARG 55 2HG ARG 55 -1.091 5.109 -9.216 402 HG3 ARG 55 3HG ARG 55 0.126 3.987 -9.829 403 HD2 ARG 55 2HD ARG 55 0.986 4.184 -7.757 404 HD3 ARG 55 3HD ARG 55 1.683 5.670 -8.403 405 HE ARG 55 HE ARG 55 -0.698 6.505 -7.476 406 HH11 ARG 55 1HH1 ARG 55 1.834 4.587 -6.051 407 HH12 ARG 55 2HH1 ARG 55 1.507 5.120 -4.435 408 HH21 ARG 55 1HH2 ARG 55 -1.137 7.215 -5.353 409 HH22 ARG 55 2HH2 ARG 55 -0.184 6.614 -4.039 410 H VAL 56 H VAL 56 -1.250 5.435 -12.652 411 HA VAL 56 HA VAL 56 -0.743 7.449 -14.660 412 HB VAL 56 HB VAL 56 0.037 5.540 -15.895 413 HG11 VAL 56 1HG1 VAL 56 -2.612 4.185 -15.465 414 HG12 VAL 56 2HG1 VAL 56 -1.134 3.510 -16.152 415 HG13 VAL 56 3HG1 VAL 56 -1.216 3.886 -14.431 416 HG21 VAL 56 1HG2 VAL 56 -2.753 5.925 -16.914 417 HG22 VAL 56 2HG2 VAL 56 -1.599 7.260 -16.918 418 HG23 VAL 56 3HG2 VAL 56 -1.245 5.785 -17.819 419 H PHE 57 H PHE 57 -2.467 8.718 -14.637 420 HA PHE 57 HA PHE 57 -5.083 7.528 -13.989 421 HB2 PHE 57 2HB PHE 57 -4.643 9.039 -12.258 422 HB3 PHE 57 3HB PHE 57 -3.876 10.199 -13.337 423 HD1 PHE 57 HD1 PHE 57 -5.039 12.130 -13.714 424 HD2 PHE 57 HD2 PHE 57 -7.204 8.540 -12.981 425 HE1 PHE 57 HE1 PHE 57 -7.154 13.376 -13.878 426 HE2 PHE 57 HE2 PHE 57 -9.322 9.780 -13.144 427 HZ PHE 57 HZ PHE 57 -9.300 12.201 -13.594 428 H LYS 58 H LYS 58 -6.606 7.584 -15.502 429 HA LYS 58 HA LYS 58 -6.106 9.115 -17.940 430 HB2 LYS 58 2HB LYS 58 -6.795 6.579 -17.761 431 HB3 LYS 58 3HB LYS 58 -8.417 7.244 -17.624 432 HG2 LYS 58 2HG LYS 58 -8.474 7.920 -19.783 433 HG3 LYS 58 3HG LYS 58 -6.743 8.260 -19.839 434 HD2 LYS 58 2HD LYS 58 -6.595 6.373 -21.037 435 HD3 LYS 58 3HD LYS 58 -6.797 5.542 -19.493 436 HE2 LYS 58 2HE LYS 58 -9.170 6.398 -21.113 437 HE3 LYS 58 3HE LYS 58 -8.327 4.890 -21.466 438 HZ1 LYS 58 1HZ LYS 58 -8.722 4.194 -19.174 439 HZ2 LYS 58 2HZ LYS 58 -10.175 4.503 -19.983 440 HZ3 LYS 58 3HZ LYS 58 -9.571 5.626 -18.871 441 H VAL 59 H VAL 59 -7.141 10.946 -18.373 442 HA VAL 59 HA VAL 59 -9.647 11.516 -16.927 443 HB VAL 59 HB VAL 59 -8.071 13.005 -16.004 444 HG11 VAL 59 1HG1 VAL 59 -7.155 13.674 -18.799 445 HG12 VAL 59 2HG1 VAL 59 -6.514 14.344 -17.298 446 HG13 VAL 59 3HG1 VAL 59 -6.296 12.633 -17.665 447 HG21 VAL 59 1HG2 VAL 59 -10.206 14.031 -16.756 448 HG22 VAL 59 2HG2 VAL 59 -8.868 15.176 -16.661 449 HG23 VAL 59 3HG2 VAL 59 -9.389 14.557 -18.228 450 H ASN 60 H ASN 60 -11.298 11.455 -18.294 451 HA ASN 60 HA ASN 60 -10.896 12.053 -21.115 452 HB2 ASN 60 2HB ASN 60 -12.278 10.078 -20.131 453 HB3 ASN 60 3HB ASN 60 -13.534 11.291 -19.897 454 HD21 ASN 60 1HD2 ASN 60 -14.170 9.275 -21.471 455 HD22 ASN 60 2HD2 ASN 60 -14.174 9.737 -23.136 456 H PHE 61 H PHE 61 -12.185 13.569 -22.265 457 HA PHE 61 HA PHE 61 -12.479 16.055 -20.969 458 HB2 PHE 61 2HB PHE 61 -13.175 16.907 -23.055 459 HB3 PHE 61 3HB PHE 61 -12.070 15.596 -23.457 460 HD1 PHE 61 HD1 PHE 61 -15.438 16.854 -23.717 461 HD2 PHE 61 HD2 PHE 61 -12.982 13.416 -24.228 462 HE1 PHE 61 HE1 PHE 61 -17.181 15.820 -25.113 463 HE2 PHE 61 HE2 PHE 61 -14.720 12.377 -25.626 464 HZ PHE 61 HZ PHE 61 -16.823 13.580 -26.070 465 H ASP 62 H ASP 62 -14.471 13.354 -20.976 466 HA ASP 62 HA ASP 62 -16.972 14.804 -20.728 467 HB2 ASP 62 2HB ASP 62 -16.444 11.858 -20.291 468 HB3 ASP 62 3HB ASP 62 -18.011 12.628 -20.525 469 H THR 63 H THR 63 -14.434 13.840 -18.707 470 HA THR 63 HA THR 63 -16.148 14.012 -16.318 471 HB THR 63 HB THR 63 -13.327 12.946 -16.372 472 HG1 THR 63 HG1 THR 63 -14.817 11.726 -17.747 473 HG21 THR 63 1HG2 THR 63 -14.896 13.656 -14.265 474 HG22 THR 63 2HG2 THR 63 -13.628 12.432 -14.197 475 HG23 THR 63 3HG2 THR 63 -15.306 11.950 -14.441 476 H GLN 64 H GLN 64 -13.501 15.446 -18.025 477 HA GLN 64 HA GLN 64 -12.985 17.270 -15.779 478 HB2 GLN 64 2HB GLN 64 -10.898 17.842 -16.919 479 HB3 GLN 64 3HB GLN 64 -11.011 16.109 -16.645 480 HG2 GLN 64 2HG GLN 64 -10.951 15.644 -18.823 481 HG3 GLN 64 3HG GLN 64 -12.074 16.942 -19.226 482 HE21 GLN 64 1HE2 GLN 64 -8.901 17.028 -17.665 483 HE22 GLN 64 2HE2 GLN 64 -8.158 18.059 -18.834 484 H LYS 65 H LYS 65 -15.209 17.289 -17.859 485 HA LYS 65 HA LYS 65 -14.962 19.286 -19.725 486 HB2 LYS 65 2HB LYS 65 -16.992 18.127 -19.747 487 HB3 LYS 65 3HB LYS 65 -17.271 18.388 -18.030 488 HG2 LYS 65 2HG LYS 65 -18.277 20.363 -18.363 489 HG3 LYS 65 3HG LYS 65 -17.158 20.836 -19.643 490 HD2 LYS 65 2HD LYS 65 -19.044 18.637 -20.256 491 HD3 LYS 65 3HD LYS 65 -19.730 20.256 -20.100 492 HE2 LYS 65 2HE LYS 65 -17.983 21.044 -21.720 493 HE3 LYS 65 3HE LYS 65 -17.552 19.354 -21.977 494 HZ1 LYS 65 1HZ LYS 65 -20.065 19.106 -22.470 495 HZ2 LYS 65 2HZ LYS 65 -19.044 19.739 -23.661 496 HZ3 LYS 65 3HZ LYS 65 -20.011 20.775 -22.738 497 H ALA 66 H ALA 66 -15.301 19.589 -16.255 498 HA ALA 66 HA ALA 66 -15.986 22.293 -16.077 499 HB1 ALA 66 1HB ALA 66 -14.328 20.628 -14.188 500 HB2 ALA 66 2HB ALA 66 -15.037 22.198 -13.808 501 HB3 ALA 66 3HB ALA 66 -16.081 20.820 -14.158 502 H ALA 67 H ALA 67 -12.889 20.728 -16.594 503 HA ALA 67 HA ALA 67 -11.291 23.046 -16.164 504 HB1 ALA 67 1HB ALA 67 -9.865 21.327 -16.030 505 HB2 ALA 67 2HB ALA 67 -10.868 20.290 -17.045 506 HB3 ALA 67 3HB ALA 67 -9.775 21.459 -17.786 507 H LEU 68 H LEU 68 -12.235 21.341 -19.155 508 HA LEU 68 HA LEU 68 -11.206 23.311 -20.897 509 HB2 LEU 68 2HB LEU 68 -12.787 22.193 -22.563 510 HB3 LEU 68 3HB LEU 68 -11.507 21.213 -21.851 511 HG LEU 68 HG LEU 68 -13.402 20.539 -20.158 512 HD11 LEU 68 1HD1 LEU 68 -15.559 20.819 -20.784 513 HD12 LEU 68 2HD1 LEU 68 -15.181 20.799 -22.506 514 HD13 LEU 68 3HD1 LEU 68 -14.889 22.256 -21.557 515 HD21 LEU 68 1HD2 LEU 68 -13.765 18.579 -21.415 516 HD22 LEU 68 2HD2 LEU 68 -12.146 19.129 -21.850 517 HD23 LEU 68 3HD2 LEU 68 -13.500 19.416 -22.945 518 H GLN 69 H GLN 69 -14.185 23.031 -19.155 519 HA GLN 69 HA GLN 69 -15.566 25.009 -20.750 520 HB2 GLN 69 2HB GLN 69 -16.739 23.107 -19.623 521 HB3 GLN 69 3HB GLN 69 -16.361 23.852 -18.075 522 HG2 GLN 69 2HG GLN 69 -17.562 25.862 -19.599 523 HG3 GLN 69 3HG GLN 69 -18.509 24.405 -19.896 524 HE21 GLN 69 1HE2 GLN 69 -19.886 23.717 -18.378 525 HE22 GLN 69 2HE2 GLN 69 -20.059 24.419 -16.809 526 H GLN 70 H GLN 70 -13.554 24.927 -17.947 527 HA GLN 70 HA GLN 70 -14.361 27.580 -17.069 528 HB2 GLN 70 2HB GLN 70 -13.881 25.931 -15.353 529 HB3 GLN 70 3HB GLN 70 -12.273 25.666 -16.014 530 HG2 GLN 70 2HG GLN 70 -12.087 27.033 -14.067 531 HG3 GLN 70 3HG GLN 70 -11.715 28.016 -15.482 532 HE21 GLN 70 1HE2 GLN 70 -12.224 29.967 -14.608 533 HE22 GLN 70 2HE2 GLN 70 -13.826 30.424 -14.150 534 H PHE 71 H PHE 71 -11.577 25.974 -18.538 535 HA PHE 71 HA PHE 71 -10.225 28.555 -18.828 536 HB2 PHE 71 2HB PHE 71 -9.350 25.704 -18.923 537 HB3 PHE 71 3HB PHE 71 -8.428 26.886 -19.845 538 HD1 PHE 71 HD1 PHE 71 -7.371 28.807 -18.662 539 HD2 PHE 71 HD2 PHE 71 -9.156 25.551 -16.581 540 HE1 PHE 71 HE1 PHE 71 -6.150 29.445 -16.624 541 HE2 PHE 71 HE2 PHE 71 -7.938 26.185 -14.539 542 HZ PHE 71 HZ PHE 71 -6.433 28.134 -14.559 543 H ARG 72 H ARG 72 -12.577 27.257 -20.427 544 HA ARG 72 HA ARG 72 -13.258 27.053 -22.605 545 HB2 ARG 72 2HB ARG 72 -12.776 29.039 -23.964 546 HB3 ARG 72 3HB ARG 72 -13.206 29.477 -22.317 547 HG2 ARG 72 2HG ARG 72 -10.939 29.952 -21.768 548 HG3 ARG 72 3HG ARG 72 -10.370 29.271 -23.294 549 HD2 ARG 72 2HD ARG 72 -10.448 31.345 -24.106 550 HD3 ARG 72 3HD ARG 72 -12.204 31.189 -24.069 551 HE ARG 72 HE ARG 72 -11.499 32.003 -21.546 552 HH11 ARG 72 1HH1 ARG 72 -11.077 33.223 -24.780 553 HH12 ARG 72 2HH1 ARG 72 -11.071 34.886 -24.292 554 HH21 ARG 72 1HH2 ARG 72 -11.493 34.188 -20.891 555 HH22 ARG 72 2HH2 ARG 72 -11.307 35.434 -22.080 556 H VAL 73 H VAL 73 -11.296 25.244 -22.206 557 HA VAL 73 HA VAL 73 -9.441 25.523 -24.466 558 HB VAL 73 HB VAL 73 -9.166 23.156 -22.742 559 HG11 VAL 73 1HG1 VAL 73 -6.917 24.986 -23.003 560 HG12 VAL 73 2HG1 VAL 73 -7.051 23.284 -23.449 561 HG13 VAL 73 3HG1 VAL 73 -7.620 24.534 -24.556 562 HG21 VAL 73 1HG2 VAL 73 -9.848 24.720 -21.033 563 HG22 VAL 73 2HG2 VAL 73 -8.114 24.428 -20.900 564 HG23 VAL 73 3HG2 VAL 73 -8.704 25.922 -21.629 565 H SER 74 H SER 74 -8.885 22.926 -25.045 566 HA SER 74 HA SER 74 -11.018 21.163 -25.344 567 HB2 SER 74 2HB SER 74 -11.324 21.590 -27.905 568 HB3 SER 74 3HB SER 74 -12.230 22.569 -26.751 569 HG SER 74 HG SER 74 -11.189 24.268 -27.410 570 H GLN 75 H GLN 75 -9.036 20.010 -24.772 571 HA GLN 75 HA GLN 75 -7.967 18.604 -26.967 572 HB2 GLN 75 2HB GLN 75 -6.661 21.027 -26.508 573 HB3 GLN 75 3HB GLN 75 -5.624 19.818 -25.763 574 HG2 GLN 75 2HG GLN 75 -5.257 18.711 -27.774 575 HG3 GLN 75 3HG GLN 75 -6.658 19.452 -28.545 576 HE21 GLN 75 1HE2 GLN 75 -5.099 19.909 -30.253 577 HE22 GLN 75 2HE2 GLN 75 -4.126 21.331 -30.136 578 H GLN 76 H GLN 76 -7.080 16.700 -26.319 579 HA GLN 76 HA GLN 76 -6.691 16.349 -23.420 580 HB2 GLN 76 2HB GLN 76 -7.186 13.832 -24.239 581 HB3 GLN 76 3HB GLN 76 -8.441 14.933 -23.687 582 HG2 GLN 76 2HG GLN 76 -7.711 14.908 -26.571 583 HG3 GLN 76 3HG GLN 76 -8.700 13.601 -25.921 584 HE21 GLN 76 1HE2 GLN 76 -8.723 16.661 -27.236 585 HE22 GLN 76 2HE2 GLN 76 -10.335 17.121 -26.818 586 H SER 77 H SER 77 -4.453 16.981 -23.838 587 HA SER 77 HA SER 77 -2.849 14.643 -24.542 588 HB2 SER 77 2HB SER 77 -1.260 16.193 -25.803 589 HB3 SER 77 3HB SER 77 -2.776 15.800 -26.615 590 HG SER 77 HG SER 77 -3.507 17.804 -26.262 591 H THR 78 H THR 78 -3.634 16.569 -22.213 592 HA THR 78 HA THR 78 -1.140 17.666 -21.337 593 HB THR 78 HB THR 78 -3.771 17.239 -19.922 594 HG1 THR 78 HG1 THR 78 -2.415 19.602 -20.768 595 HG21 THR 78 1HG2 THR 78 -2.667 18.880 -18.238 596 HG22 THR 78 2HG2 THR 78 -1.150 18.255 -18.885 597 HG23 THR 78 3HG2 THR 78 -2.302 17.160 -18.122 598 H LEU 79 H LEU 79 0.316 16.873 -19.884 599 HA LEU 79 HA LEU 79 -0.202 14.451 -18.404 600 HB2 LEU 79 2HB LEU 79 1.019 12.972 -19.563 601 HB3 LEU 79 3HB LEU 79 0.704 14.059 -20.914 602 HG LEU 79 HG LEU 79 2.954 15.172 -20.089 603 HD11 LEU 79 1HD1 LEU 79 4.143 14.040 -18.601 604 HD12 LEU 79 2HD1 LEU 79 4.048 12.578 -19.581 605 HD13 LEU 79 3HD1 LEU 79 2.786 12.931 -18.401 606 HD21 LEU 79 1HD2 LEU 79 3.046 14.485 -22.252 607 HD22 LEU 79 2HD2 LEU 79 2.398 12.885 -21.891 608 HD23 LEU 79 3HD2 LEU 79 4.088 13.252 -21.542 609 H ILE 80 H ILE 80 1.058 14.292 -16.612 610 HA ILE 80 HA ILE 80 3.586 15.606 -16.365 611 HB ILE 80 HB ILE 80 2.372 17.608 -16.049 612 HG12 ILE 80 2HG1 ILE 80 3.984 16.596 -14.094 613 HG13 ILE 80 3HG1 ILE 80 3.369 18.245 -14.123 614 HG21 ILE 80 1HG2 ILE 80 0.513 17.763 -14.376 615 HG22 ILE 80 2HG2 ILE 80 0.150 16.790 -15.801 616 HG23 ILE 80 3HG2 ILE 80 0.546 16.003 -14.274 617 HD11 ILE 80 1HD1 ILE 80 3.126 17.009 -11.951 618 HD12 ILE 80 2HD1 ILE 80 1.647 17.722 -12.596 619 HD13 ILE 80 3HD1 ILE 80 1.934 15.989 -12.757 620 H LEU 81 H LEU 81 4.752 14.353 -15.076 621 HA LEU 81 HA LEU 81 3.376 12.591 -13.184 622 HB2 LEU 81 2HB LEU 81 4.802 11.420 -14.677 623 HB3 LEU 81 3HB LEU 81 6.128 12.546 -14.395 624 HG LEU 81 HG LEU 81 6.171 11.675 -12.011 625 HD11 LEU 81 1HD1 LEU 81 4.373 9.610 -13.263 626 HD12 LEU 81 2HD1 LEU 81 4.028 10.634 -11.870 627 HD13 LEU 81 3HD1 LEU 81 5.252 9.370 -11.753 628 HD21 LEU 81 1HD2 LEU 81 7.968 10.950 -13.227 629 HD22 LEU 81 2HD2 LEU 81 6.968 10.177 -14.457 630 HD23 LEU 81 3HD2 LEU 81 7.185 9.407 -12.885 631 H TYR 82 H TYR 82 3.102 13.575 -11.273 632 HA TYR 82 HA TYR 82 5.101 15.374 -10.206 633 HB2 TYR 82 2HB TYR 82 3.488 16.090 -8.759 634 HB3 TYR 82 3HB TYR 82 2.435 15.383 -9.978 635 HD1 TYR 82 HD1 TYR 82 3.085 15.539 -6.559 636 HD2 TYR 82 HD2 TYR 82 1.983 12.771 -9.596 637 HE1 TYR 82 HE1 TYR 82 2.114 14.059 -4.850 638 HE2 TYR 82 HE2 TYR 82 1.008 11.285 -7.897 639 HH TYR 82 HH TYR 82 0.761 10.899 -5.711 640 H ARG 83 H ARG 83 6.129 15.097 -8.160 641 HA ARG 83 HA ARG 83 6.196 12.375 -7.091 642 HB2 ARG 83 2HB ARG 83 8.023 12.542 -8.753 643 HB3 ARG 83 3HB ARG 83 8.681 13.911 -7.868 644 HG2 ARG 83 2HG ARG 83 8.505 12.025 -5.912 645 HG3 ARG 83 3HG ARG 83 8.886 11.046 -7.330 646 HD2 ARG 83 2HD ARG 83 11.016 11.621 -7.044 647 HD3 ARG 83 3HD ARG 83 10.564 13.259 -7.518 648 HE ARG 83 HE ARG 83 10.001 13.031 -4.818 649 HH11 ARG 83 1HH1 ARG 83 12.796 12.843 -6.885 650 HH12 ARG 83 2HH1 ARG 83 13.894 13.410 -5.671 651 HH21 ARG 83 1HH2 ARG 83 11.436 13.779 -3.211 652 HH22 ARG 83 2HH2 ARG 83 13.120 13.941 -3.581 653 H ASN 84 H ASN 84 5.754 12.569 -5.004 654 HA ASN 84 HA ASN 84 5.901 13.219 -2.822 655 HB2 ASN 84 2HB ASN 84 8.394 13.588 -3.571 656 HB3 ASN 84 3HB ASN 84 7.966 15.293 -3.464 657 HD21 ASN 84 1HD2 ASN 84 9.913 14.259 -1.869 658 HD22 ASN 84 2HD2 ASN 84 9.370 14.216 -0.229 659 H GLY 85 H GLY 85 3.877 14.244 -4.249 660 HA2 GLY 85 2HA GLY 85 2.331 15.940 -4.301 661 HA3 GLY 85 3HA GLY 85 3.071 16.484 -2.802 662 H GLN 86 H GLN 86 4.743 16.288 -5.885 663 HA GLN 86 HA GLN 86 4.518 19.162 -6.288 664 HB2 GLN 86 2HB GLN 86 6.939 17.800 -5.299 665 HB3 GLN 86 3HB GLN 86 7.200 18.896 -6.650 666 HG2 GLN 86 2HG GLN 86 6.498 20.751 -5.446 667 HG3 GLN 86 3HG GLN 86 5.649 19.773 -4.249 668 HE21 GLN 86 1HE2 GLN 86 6.848 21.163 -2.755 669 HE22 GLN 86 2HE2 GLN 86 8.452 20.706 -2.307 670 H GLU 87 H GLU 87 4.783 19.790 -8.396 671 HA GLU 87 HA GLU 87 4.829 17.642 -10.351 672 HB2 GLU 87 2HB GLU 87 4.246 19.459 -11.963 673 HB3 GLU 87 3HB GLU 87 3.102 19.281 -10.640 674 HG2 GLU 87 2HG GLU 87 3.447 21.356 -9.929 675 HG3 GLU 87 3HG GLU 87 5.198 21.187 -10.029 676 H VAL 88 H VAL 88 6.516 17.131 -11.588 677 HA VAL 88 HA VAL 88 8.944 18.741 -11.362 678 HB VAL 88 HB VAL 88 8.574 16.011 -12.603 679 HG11 VAL 88 1HG1 VAL 88 11.207 16.289 -11.853 680 HG12 VAL 88 2HG1 VAL 88 10.577 16.441 -13.494 681 HG13 VAL 88 3HG1 VAL 88 10.803 17.879 -12.497 682 HG21 VAL 88 1HG2 VAL 88 8.202 15.556 -10.388 683 HG22 VAL 88 2HG2 VAL 88 9.962 15.445 -10.440 684 HG23 VAL 88 3HG2 VAL 88 9.188 16.908 -9.830 685 H ARG 89 H ARG 89 7.430 16.907 -14.023 686 HA ARG 89 HA ARG 89 8.019 19.182 -15.799 687 HB2 ARG 89 2HB ARG 89 8.834 16.380 -16.007 688 HB3 ARG 89 3HB ARG 89 8.038 16.979 -17.457 689 HG2 ARG 89 2HG ARG 89 10.439 18.213 -16.122 690 HG3 ARG 89 3HG ARG 89 10.449 17.245 -17.598 691 HD2 ARG 89 2HD ARG 89 10.173 19.133 -18.739 692 HD3 ARG 89 3HD ARG 89 8.552 19.234 -18.053 693 HE ARG 89 HE ARG 89 10.575 20.311 -16.330 694 HH11 ARG 89 1HH1 ARG 89 8.482 20.986 -19.029 695 HH12 ARG 89 2HH1 ARG 89 8.469 22.698 -18.758 696 HH21 ARG 89 1HH2 ARG 89 10.565 22.562 -15.963 697 HH22 ARG 89 2HH2 ARG 89 9.655 23.593 -17.014 698 H ARG 90 H ARG 90 6.563 19.539 -17.515 699 HA ARG 90 HA ARG 90 4.195 17.908 -17.764 700 HB2 ARG 90 2HB ARG 90 3.572 19.264 -15.844 701 HB3 ARG 90 3HB ARG 90 4.011 20.733 -16.705 702 HG2 ARG 90 2HG ARG 90 2.008 19.022 -18.022 703 HG3 ARG 90 3HG ARG 90 1.503 19.799 -16.520 704 HD2 ARG 90 2HD ARG 90 2.758 21.845 -17.815 705 HD3 ARG 90 3HD ARG 90 2.042 20.956 -19.159 706 HE ARG 90 HE ARG 90 0.186 21.396 -17.032 707 HH11 ARG 90 1HH1 ARG 90 1.685 22.861 -19.812 708 HH12 ARG 90 2HH1 ARG 90 0.383 23.970 -20.092 709 HH21 ARG 90 1HH2 ARG 90 -1.534 22.851 -17.390 710 HH22 ARG 90 2HH2 ARG 90 -1.446 23.964 -18.713 711 H SER 91 H SER 91 3.105 18.243 -19.684 712 HA SER 91 HA SER 91 3.618 20.521 -21.350 713 HB2 SER 91 2HB SER 91 5.358 19.748 -22.529 714 HB3 SER 91 3HB SER 91 5.367 18.266 -21.572 715 HG SER 91 HG SER 91 4.005 18.796 -23.991 716 H ILE 92 H ILE 92 2.012 20.807 -22.802 717 HA ILE 92 HA ILE 92 0.083 18.600 -23.117 718 HB ILE 92 HB ILE 92 -0.728 20.587 -21.799 719 HG12 ILE 92 2HG1 ILE 92 -2.085 18.949 -23.392 720 HG13 ILE 92 3HG1 ILE 92 -2.868 20.300 -22.579 721 HG21 ILE 92 1HG2 ILE 92 -1.372 22.589 -23.119 722 HG22 ILE 92 2HG2 ILE 92 0.371 22.364 -22.983 723 HG23 ILE 92 3HG2 ILE 92 -0.459 21.938 -24.480 724 HD11 ILE 92 1HD1 ILE 92 -1.731 20.667 -25.311 725 HD12 ILE 92 2HD1 ILE 92 -3.297 19.884 -25.095 726 HD13 ILE 92 3HD1 ILE 92 -3.047 21.530 -24.515 727 H GLY 93 H GLY 93 -0.686 18.128 -25.136 728 HA2 GLY 93 2HA GLY 93 -0.955 19.424 -27.415 729 HA3 GLY 93 3HA GLY 93 0.798 19.317 -27.358 730 H GLU 94 H GLU 94 1.498 16.929 -26.708 731 HA GLU 94 HA GLU 94 -0.004 14.722 -27.440 732 HB2 GLU 94 2HB GLU 94 -0.258 15.436 -29.655 733 HB3 GLU 94 3HB GLU 94 1.379 16.072 -29.736 734 HG2 GLU 94 2HG GLU 94 2.317 13.941 -29.970 735 HG3 GLU 94 3HG GLU 94 0.841 13.140 -29.437 736 H THR 95 H THR 95 3.241 15.912 -28.330 737 HA THR 95 HA THR 95 4.476 14.129 -26.418 738 HB THR 95 HB THR 95 4.146 12.643 -28.363 739 HG1 THR 95 HG1 THR 95 5.951 12.157 -27.189 740 HG21 THR 95 1HG2 THR 95 4.397 14.651 -29.995 741 HG22 THR 95 2HG2 THR 95 4.997 13.066 -30.483 742 HG23 THR 95 3HG2 THR 95 6.120 14.292 -29.897 743 H SER 96 H SER 96 6.358 14.938 -25.689 744 HA SER 96 HA SER 96 8.035 16.634 -27.287 745 HB2 SER 96 2HB SER 96 5.988 17.846 -25.681 746 HB3 SER 96 3HB SER 96 7.567 18.259 -25.012 747 HG SER 96 HG SER 96 6.622 18.696 -27.647 748 HA PRO 97 HA PRO 97 11.142 15.255 -24.516 749 HB2 PRO 97 2HB PRO 97 12.804 17.396 -24.362 750 HB3 PRO 97 3HB PRO 97 12.671 16.386 -25.806 751 HG2 PRO 97 2HG PRO 97 11.400 19.033 -25.224 752 HG3 PRO 97 3HG PRO 97 12.166 18.464 -26.718 753 HD2 PRO 97 2HD PRO 97 9.480 18.503 -26.382 754 HD3 PRO 97 3HD PRO 97 10.300 17.280 -27.373 755 H SER 98 H SER 98 9.294 18.051 -23.703 756 HA SER 98 HA SER 98 10.371 18.224 -21.007 757 HB2 SER 98 2HB SER 98 8.915 19.978 -22.766 758 HB3 SER 98 3HB SER 98 8.061 19.835 -21.229 759 HG SER 98 HG SER 98 10.770 20.583 -21.622 760 H ALA 99 H ALA 99 7.764 16.738 -22.685 761 HA ALA 99 HA ALA 99 6.151 16.351 -20.304 762 HB1 ALA 99 1HB ALA 99 5.288 14.716 -22.478 763 HB2 ALA 99 2HB ALA 99 4.501 16.127 -21.769 764 HB3 ALA 99 3HB ALA 99 5.661 16.331 -23.082 765 H LEU 100 H LEU 100 8.298 14.489 -22.386 766 HA LEU 100 HA LEU 100 7.805 12.033 -20.933 767 HB2 LEU 100 2HB LEU 100 8.185 11.762 -23.246 768 HB3 LEU 100 3HB LEU 100 9.620 12.785 -23.206 769 HG LEU 100 HG LEU 100 10.724 10.990 -21.823 770 HD11 LEU 100 1HD1 LEU 100 9.647 9.146 -21.203 771 HD12 LEU 100 2HD1 LEU 100 8.988 8.896 -22.819 772 HD13 LEU 100 3HD1 LEU 100 8.159 9.962 -21.685 773 HD21 LEU 100 1HD2 LEU 100 11.630 10.728 -23.844 774 HD22 LEU 100 2HD2 LEU 100 10.091 10.999 -24.661 775 HD23 LEU 100 3HD2 LEU 100 10.497 9.393 -24.056 776 H SER 101 H SER 101 9.957 14.699 -20.777 777 HA SER 101 HA SER 101 12.239 13.555 -19.662 778 HB2 SER 101 2HB SER 101 12.465 15.807 -20.249 779 HB3 SER 101 3HB SER 101 10.973 16.271 -19.431 780 HG SER 101 HG SER 101 12.005 16.026 -17.464 781 H ASP 102 H ASP 102 9.098 13.914 -18.353 782 HA ASP 102 HA ASP 102 9.947 13.742 -15.588 783 HB2 ASP 102 2HB ASP 102 7.742 14.813 -16.739 784 HB3 ASP 102 3HB ASP 102 7.114 13.234 -16.276 785 H PHE 103 H PHE 103 9.003 11.614 -18.142 786 HA PHE 103 HA PHE 103 8.292 9.397 -16.475 787 HB2 PHE 103 2HB PHE 103 8.282 10.007 -19.280 788 HB3 PHE 103 3HB PHE 103 9.078 8.457 -19.026 789 HD1 PHE 103 HD1 PHE 103 6.111 9.733 -19.941 790 HD2 PHE 103 HD2 PHE 103 7.697 7.140 -16.961 791 HE1 PHE 103 HE1 PHE 103 3.914 8.647 -19.722 792 HE2 PHE 103 HE2 PHE 103 5.503 6.050 -16.737 793 HZ PHE 103 HZ PHE 103 3.608 6.802 -18.119 794 H LEU 104 H LEU 104 11.236 10.723 -17.654 795 HA LEU 104 HA LEU 104 12.723 8.263 -17.126 796 HB2 LEU 104 2HB LEU 104 14.516 9.204 -18.271 797 HB3 LEU 104 3HB LEU 104 13.099 9.755 -19.162 798 HG LEU 104 HG LEU 104 13.410 11.859 -17.548 799 HD11 LEU 104 1HD1 LEU 104 15.936 10.376 -17.409 800 HD12 LEU 104 2HD1 LEU 104 15.282 11.616 -16.339 801 HD13 LEU 104 3HD1 LEU 104 16.100 12.081 -17.831 802 HD21 LEU 104 1HD2 LEU 104 15.107 11.488 -20.008 803 HD22 LEU 104 2HD2 LEU 104 14.422 12.988 -19.381 804 HD23 LEU 104 3HD2 LEU 104 13.363 11.748 -20.055 805 H THR 105 H THR 105 11.601 10.796 -15.377 806 HA THR 105 HA THR 105 13.890 10.711 -13.520 807 HB THR 105 HB THR 105 12.741 12.936 -12.677 808 HG1 THR 105 HG1 THR 105 11.987 12.798 -15.425 809 HG21 THR 105 1HG2 THR 105 14.117 13.751 -15.038 810 HG22 THR 105 2HG2 THR 105 14.908 12.312 -14.395 811 HG23 THR 105 3HG2 THR 105 14.699 13.734 -13.374 812 H ARG 106 H ARG 106 10.741 9.754 -13.992 813 HA ARG 106 HA ARG 106 9.111 8.907 -12.650 814 HB2 ARG 106 2HB ARG 106 10.771 7.417 -11.812 815 HB3 ARG 106 3HB ARG 106 11.492 8.674 -10.815 816 HG2 ARG 106 2HG ARG 106 8.718 8.294 -10.139 817 HG3 ARG 106 3HG ARG 106 9.613 6.776 -10.040 818 HD2 ARG 106 2HD ARG 106 11.050 9.043 -8.898 819 HD3 ARG 106 3HD ARG 106 9.511 8.721 -8.099 820 HE ARG 106 HE ARG 106 10.835 6.289 -8.382 821 HH11 ARG 106 1HH1 ARG 106 11.253 9.314 -6.710 822 HH12 ARG 106 2HH1 ARG 106 12.129 8.613 -5.390 823 HH21 ARG 106 1HH2 ARG 106 11.988 5.355 -6.649 824 HH22 ARG 106 2HH2 ARG 106 12.548 6.361 -5.357 Start of MODEL 6 1 H GLN 1 H GLN 1 6.067 1.080 -5.799 2 HA GLN 1 HA GLN 1 5.589 -1.389 -5.386 3 HB2 GLN 1 2HB GLN 1 6.753 -1.147 -3.133 4 HB3 GLN 1 3HB GLN 1 5.276 -0.382 -2.562 5 HG2 GLN 1 2HG GLN 1 4.199 -2.326 -2.375 6 HG3 GLN 1 3HG GLN 1 4.828 -2.931 -3.907 7 HE21 GLN 1 1HE2 GLN 1 5.741 -4.819 -3.536 8 HE22 GLN 1 2HE2 GLN 1 6.844 -5.180 -2.256 9 H ALA 2 H ALA 2 3.428 -2.025 -5.387 10 HA ALA 2 HA ALA 2 1.179 -1.787 -5.642 11 HB1 ALA 2 1HB ALA 2 1.646 -0.831 -3.209 12 HB2 ALA 2 2HB ALA 2 1.067 0.655 -3.963 13 HB3 ALA 2 3HB ALA 2 0.045 -0.782 -3.947 14 H ALA 3 H ALA 3 -0.556 0.150 -6.039 15 HA ALA 3 HA ALA 3 0.472 2.372 -7.523 16 HB1 ALA 3 1HB ALA 3 -1.149 0.799 -9.365 17 HB2 ALA 3 2HB ALA 3 0.370 1.654 -9.636 18 HB3 ALA 3 3HB ALA 3 0.382 0.029 -8.950 19 H SER 4 H SER 4 -1.556 3.209 -8.979 20 HA SER 4 HA SER 4 -4.129 2.762 -7.825 21 HB2 SER 4 2HB SER 4 -2.553 4.455 -6.334 22 HB3 SER 4 3HB SER 4 -3.445 5.578 -7.359 23 HG SER 4 HG SER 4 -4.894 5.295 -5.835 24 H VAL 5 H VAL 5 -4.873 2.559 -9.901 25 HA VAL 5 HA VAL 5 -4.521 4.830 -11.724 26 HB VAL 5 HB VAL 5 -5.504 3.300 -13.443 27 HG11 VAL 5 1HG1 VAL 5 -2.962 3.528 -12.632 28 HG12 VAL 5 2HG1 VAL 5 -3.200 1.802 -12.354 29 HG13 VAL 5 3HG1 VAL 5 -3.458 2.482 -13.962 30 HG21 VAL 5 1HG2 VAL 5 -6.489 1.402 -12.846 31 HG22 VAL 5 2HG2 VAL 5 -4.986 0.826 -12.125 32 HG23 VAL 5 3HG2 VAL 5 -6.130 1.756 -11.156 33 H GLU 6 H GLU 6 -6.076 6.297 -11.838 34 HA GLU 6 HA GLU 6 -8.794 5.549 -11.008 35 HB2 GLU 6 2HB GLU 6 -7.157 7.784 -10.413 36 HB3 GLU 6 3HB GLU 6 -8.491 8.373 -11.394 37 HG2 GLU 6 2HG GLU 6 -9.512 8.539 -9.403 38 HG3 GLU 6 3HG GLU 6 -9.850 6.831 -9.676 39 HA PRO 7 HA PRO 7 -9.579 5.745 -15.443 40 HB2 PRO 7 2HB PRO 7 -12.022 4.574 -15.283 41 HB3 PRO 7 3HB PRO 7 -10.513 3.655 -15.257 42 HG2 PRO 7 2HG PRO 7 -12.259 4.495 -12.975 43 HG3 PRO 7 3HG PRO 7 -11.459 2.938 -13.257 44 HD2 PRO 7 2HD PRO 7 -10.468 4.798 -11.556 45 HD3 PRO 7 3HD PRO 7 -9.426 3.700 -12.483 46 H TYR 8 H TYR 8 -9.858 7.931 -15.772 47 HA TYR 8 HA TYR 8 -10.915 9.936 -15.997 48 HB2 TYR 8 2HB TYR 8 -13.625 8.788 -15.983 49 HB3 TYR 8 3HB TYR 8 -12.822 9.770 -17.203 50 HD1 TYR 8 HD1 TYR 8 -14.190 6.640 -16.586 51 HD2 TYR 8 HD2 TYR 8 -10.811 8.458 -18.426 52 HE1 TYR 8 HE1 TYR 8 -13.882 4.640 -17.983 53 HE2 TYR 8 HE2 TYR 8 -10.495 6.463 -19.829 54 HH TYR 8 HH TYR 8 -12.789 4.155 -20.289 55 H SER 9 H SER 9 -10.514 10.863 -14.008 56 HA SER 9 HA SER 9 -12.750 11.528 -12.425 57 HB2 SER 9 2HB SER 9 -11.345 9.118 -11.656 58 HB3 SER 9 3HB SER 9 -11.235 10.336 -10.386 59 HG SER 9 HG SER 9 -13.424 10.388 -10.236 60 H ASP 10 H ASP 10 -11.955 13.597 -12.778 61 HA ASP 10 HA ASP 10 -9.359 14.496 -12.382 62 HB2 ASP 10 2HB ASP 10 -11.834 15.653 -12.998 63 HB3 ASP 10 3HB ASP 10 -11.286 16.490 -11.548 64 H ALA 11 H ALA 11 -11.802 13.681 -10.071 65 HA ALA 11 HA ALA 11 -10.900 15.141 -7.851 66 HB1 ALA 11 1HB ALA 11 -12.694 14.205 -6.948 67 HB2 ALA 11 2HB ALA 11 -12.863 13.176 -8.371 68 HB3 ALA 11 3HB ALA 11 -11.915 12.623 -6.991 69 H ALA 12 H ALA 12 -9.509 12.490 -9.487 70 HA ALA 12 HA ALA 12 -7.958 11.571 -7.212 71 HB1 ALA 12 1HB ALA 12 -8.102 9.691 -8.393 72 HB2 ALA 12 2HB ALA 12 -8.618 10.555 -9.842 73 HB3 ALA 12 3HB ALA 12 -6.900 10.386 -9.481 74 H PHE 13 H PHE 13 -7.518 13.482 -10.130 75 HA PHE 13 HA PHE 13 -4.784 13.637 -10.315 76 HB2 PHE 13 2HB PHE 13 -6.068 14.718 -11.988 77 HB3 PHE 13 3HB PHE 13 -6.905 15.721 -10.806 78 HD1 PHE 13 HD1 PHE 13 -6.416 17.914 -11.320 79 HD2 PHE 13 HD2 PHE 13 -3.276 15.040 -11.291 80 HE1 PHE 13 HE1 PHE 13 -4.774 19.709 -11.682 81 HE2 PHE 13 HE2 PHE 13 -1.629 16.831 -11.652 82 HZ PHE 13 HZ PHE 13 -2.376 19.170 -11.847 83 H THR 14 H THR 14 -6.900 15.218 -8.013 84 HA THR 14 HA THR 14 -4.785 16.853 -6.912 85 HB THR 14 HB THR 14 -6.596 17.269 -5.100 86 HG1 THR 14 HG1 THR 14 -7.791 15.345 -6.291 87 HG21 THR 14 1HG2 THR 14 -7.412 18.134 -7.854 88 HG22 THR 14 2HG2 THR 14 -5.913 18.716 -7.130 89 HG23 THR 14 3HG2 THR 14 -7.458 19.044 -6.345 90 H GLN 15 H GLN 15 -6.540 13.918 -6.036 91 HA GLN 15 HA GLN 15 -5.429 13.630 -3.452 92 HB2 GLN 15 2HB GLN 15 -6.441 11.434 -5.262 93 HB3 GLN 15 3HB GLN 15 -6.294 11.373 -3.511 94 HG2 GLN 15 2HG GLN 15 -7.921 13.603 -4.360 95 HG3 GLN 15 3HG GLN 15 -8.539 12.071 -4.975 96 HE21 GLN 15 1HE2 GLN 15 -10.353 12.208 -3.643 97 HE22 GLN 15 2HE2 GLN 15 -10.263 11.907 -1.945 98 H ALA 16 H ALA 16 -4.262 12.885 -6.629 99 HA ALA 16 HA ALA 16 -2.226 11.050 -5.780 100 HB1 ALA 16 1HB ALA 16 -3.214 12.115 -8.291 101 HB2 ALA 16 2HB ALA 16 -1.454 12.008 -8.256 102 HB3 ALA 16 3HB ALA 16 -2.431 10.572 -7.946 103 H GLN 17 H GLN 17 -2.441 14.502 -6.364 104 HA GLN 17 HA GLN 17 0.423 14.863 -6.038 105 HB2 GLN 17 2HB GLN 17 0.126 17.032 -6.782 106 HB3 GLN 17 3HB GLN 17 -1.180 16.195 -7.610 107 HG2 GLN 17 2HG GLN 17 -2.468 16.911 -5.377 108 HG3 GLN 17 3HG GLN 17 -1.276 18.208 -5.457 109 HE21 GLN 17 1HE2 GLN 17 -2.951 19.699 -5.833 110 HE22 GLN 17 2HE2 GLN 17 -3.700 19.836 -7.384 111 H ALA 18 H ALA 18 -2.453 14.975 -4.146 112 HA ALA 18 HA ALA 18 -1.226 16.534 -2.018 113 HB1 ALA 18 1HB ALA 18 -3.494 15.873 -0.889 114 HB2 ALA 18 2HB ALA 18 -3.446 17.104 -2.151 115 HB3 ALA 18 3HB ALA 18 -3.958 15.462 -2.540 116 H SER 19 H SER 19 -1.001 13.422 -3.012 117 HA SER 19 HA SER 19 -0.904 12.299 -0.301 118 HB2 SER 19 2HB SER 19 -2.246 11.052 -1.946 119 HB3 SER 19 3HB SER 19 -0.828 10.891 -2.982 120 HG SER 19 HG SER 19 0.068 9.505 -1.571 121 H GLY 20 H GLY 20 1.107 13.872 -2.286 122 HA2 GLY 20 2HA GLY 20 3.386 13.961 -2.571 123 HA3 GLY 20 3HA GLY 20 3.453 13.263 -0.959 124 H ALA 21 H ALA 21 2.063 11.679 -3.773 125 HA ALA 21 HA ALA 21 4.308 9.769 -3.728 126 HB1 ALA 21 1HB ALA 21 1.708 9.216 -3.000 127 HB2 ALA 21 2HB ALA 21 1.800 8.639 -4.664 128 HB3 ALA 21 3HB ALA 21 2.935 8.034 -3.457 129 HA PRO 22 HA PRO 22 4.760 10.250 -8.066 130 HB2 PRO 22 2HB PRO 22 5.238 7.713 -8.906 131 HB3 PRO 22 3HB PRO 22 6.413 8.657 -7.983 132 HG2 PRO 22 2HG PRO 22 4.513 6.547 -7.034 133 HG3 PRO 22 3HG PRO 22 6.216 6.794 -6.605 134 HD2 PRO 22 2HD PRO 22 4.179 7.587 -5.005 135 HD3 PRO 22 3HD PRO 22 5.722 8.461 -5.092 136 H VAL 23 H VAL 23 3.098 10.789 -9.334 137 HA VAL 23 HA VAL 23 1.339 8.704 -10.337 138 HB VAL 23 HB VAL 23 0.128 11.205 -9.166 139 HG11 VAL 23 1HG1 VAL 23 -1.580 8.890 -9.453 140 HG12 VAL 23 2HG1 VAL 23 -1.785 10.527 -10.081 141 HG13 VAL 23 3HG1 VAL 23 -0.842 9.344 -10.990 142 HG21 VAL 23 1HG2 VAL 23 1.008 9.979 -7.313 143 HG22 VAL 23 2HG2 VAL 23 -0.731 9.691 -7.369 144 HG23 VAL 23 3HG2 VAL 23 0.387 8.458 -7.953 145 H LEU 24 H LEU 24 1.089 8.954 -12.456 146 HA LEU 24 HA LEU 24 1.754 11.552 -13.645 147 HB2 LEU 24 2HB LEU 24 3.102 9.912 -14.598 148 HB3 LEU 24 3HB LEU 24 1.792 8.734 -14.653 149 HG LEU 24 HG LEU 24 1.532 11.159 -16.348 150 HD11 LEU 24 1HD1 LEU 24 3.935 10.106 -16.471 151 HD12 LEU 24 2HD1 LEU 24 3.069 10.567 -17.935 152 HD13 LEU 24 3HD1 LEU 24 3.108 8.878 -17.430 153 HD21 LEU 24 1HD2 LEU 24 0.409 8.503 -16.126 154 HD22 LEU 24 2HD2 LEU 24 0.963 8.841 -17.766 155 HD23 LEU 24 3HD2 LEU 24 -0.199 9.916 -16.987 156 H VAL 25 H VAL 25 0.428 12.506 -15.217 157 HA VAL 25 HA VAL 25 -2.358 11.543 -15.205 158 HB VAL 25 HB VAL 25 -1.402 14.390 -15.538 159 HG11 VAL 25 1HG1 VAL 25 -4.078 13.078 -15.658 160 HG12 VAL 25 2HG1 VAL 25 -3.948 14.724 -15.034 161 HG13 VAL 25 3HG1 VAL 25 -3.403 14.354 -16.671 162 HG21 VAL 25 1HG2 VAL 25 -1.146 14.276 -13.310 163 HG22 VAL 25 2HG2 VAL 25 -2.908 14.345 -13.271 164 HG23 VAL 25 3HG2 VAL 25 -2.084 12.789 -13.177 165 H ASP 26 H ASP 26 -3.328 11.149 -17.103 166 HA ASP 26 HA ASP 26 -2.208 12.254 -19.564 167 HB2 ASP 26 2HB ASP 26 -1.394 9.792 -18.860 168 HB3 ASP 26 3HB ASP 26 -2.897 9.368 -19.674 169 H VAL 27 H VAL 27 -3.906 13.314 -20.356 170 HA VAL 27 HA VAL 27 -6.608 12.393 -19.940 171 HB VAL 27 HB VAL 27 -5.888 14.617 -21.816 172 HG11 VAL 27 1HG1 VAL 27 -8.137 14.370 -19.828 173 HG12 VAL 27 2HG1 VAL 27 -7.985 15.531 -21.148 174 HG13 VAL 27 3HG1 VAL 27 -8.244 13.822 -21.500 175 HG21 VAL 27 1HG2 VAL 27 -6.161 16.007 -19.573 176 HG22 VAL 27 2HG2 VAL 27 -5.484 14.535 -18.875 177 HG23 VAL 27 3HG2 VAL 27 -4.592 15.414 -20.117 178 H TYR 28 H TYR 28 -7.934 11.415 -21.375 179 HA TYR 28 HA TYR 28 -6.870 10.892 -24.072 180 HB2 TYR 28 2HB TYR 28 -8.112 9.014 -22.093 181 HB3 TYR 28 3HB TYR 28 -8.280 8.701 -23.817 182 HD1 TYR 28 HD1 TYR 28 -5.526 9.738 -21.500 183 HD2 TYR 28 HD2 TYR 28 -6.779 7.180 -24.661 184 HE1 TYR 28 HE1 TYR 28 -3.304 8.683 -21.519 185 HE2 TYR 28 HE2 TYR 28 -4.561 6.117 -24.687 186 HH TYR 28 HH TYR 28 -2.638 5.824 -22.858 187 H ALA 29 H ALA 29 -8.367 10.779 -25.763 188 HA ALA 29 HA ALA 29 -11.098 11.671 -25.113 189 HB1 ALA 29 1HB ALA 29 -10.438 12.687 -27.657 190 HB2 ALA 29 2HB ALA 29 -10.744 13.587 -26.171 191 HB3 ALA 29 3HB ALA 29 -9.101 13.092 -26.580 192 H ASP 30 H ASP 30 -12.624 11.328 -26.979 193 HA ASP 30 HA ASP 30 -12.802 8.658 -27.656 194 HB2 ASP 30 2HB ASP 30 -14.771 9.948 -27.838 195 HB3 ASP 30 3HB ASP 30 -14.006 11.118 -28.909 196 H TRP 31 H TRP 31 -12.240 11.171 -30.116 197 HA TRP 31 HA TRP 31 -10.224 9.424 -31.349 198 HB2 TRP 31 2HB TRP 31 -12.606 9.381 -32.422 199 HB3 TRP 31 3HB TRP 31 -12.147 10.954 -33.069 200 HD1 TRP 31 HD1 TRP 31 -10.804 7.313 -33.083 201 HE1 TRP 31 HE1 TRP 31 -9.621 6.916 -35.335 202 HE3 TRP 31 HE3 TRP 31 -11.239 12.005 -35.066 203 HZ2 TRP 31 HZ2 TRP 31 -8.960 8.397 -37.645 204 HZ3 TRP 31 HZ3 TRP 31 -10.305 12.432 -37.302 205 HH2 TRP 31 HH2 TRP 31 -9.189 10.664 -38.563 206 H CYS 32 H CYS 32 -9.248 11.312 -29.865 207 HA CYS 32 HA CYS 32 -8.937 13.785 -31.362 208 HB2 CYS 32 2HB CYS 32 -8.483 12.906 -28.598 209 HB3 CYS 32 3HB CYS 32 -7.231 13.975 -29.218 210 HG CYS 32 HG CYS 32 -9.810 15.510 -30.156 211 HA PRO 33 HA PRO 33 -5.060 12.922 -33.219 212 HB2 PRO 33 2HB PRO 33 -3.695 15.243 -32.874 213 HB3 PRO 33 3HB PRO 33 -5.049 15.083 -33.999 214 HG2 PRO 33 2HG PRO 33 -5.011 16.221 -31.230 215 HG3 PRO 33 3HG PRO 33 -5.821 16.837 -32.682 216 HD2 PRO 33 2HD PRO 33 -7.133 15.458 -30.755 217 HD3 PRO 33 3HD PRO 33 -7.589 15.374 -32.469 218 H VAL 34 H VAL 34 -5.223 13.631 -29.881 219 HA VAL 34 HA VAL 34 -2.420 13.330 -29.315 220 HB VAL 34 HB VAL 34 -4.848 13.366 -27.524 221 HG11 VAL 34 1HG1 VAL 34 -3.269 11.997 -26.397 222 HG12 VAL 34 2HG1 VAL 34 -1.935 13.072 -26.821 223 HG13 VAL 34 3HG1 VAL 34 -3.163 13.600 -25.669 224 HG21 VAL 34 1HG2 VAL 34 -4.015 15.464 -28.732 225 HG22 VAL 34 2HG2 VAL 34 -4.249 15.565 -26.987 226 HG23 VAL 34 3HG2 VAL 34 -2.625 15.380 -27.651 227 H CYS 35 H CYS 35 -5.215 11.394 -28.233 228 HA CYS 35 HA CYS 35 -3.685 9.142 -27.537 229 HB2 CYS 35 2HB CYS 35 -5.909 9.489 -26.622 230 HB3 CYS 35 3HB CYS 35 -6.621 9.365 -28.226 231 HG CYS 35 HG CYS 35 -7.327 6.998 -27.201 232 H LYS 36 H LYS 36 -4.879 10.259 -30.567 233 HA LYS 36 HA LYS 36 -4.759 7.711 -31.898 234 HB2 LYS 36 2HB LYS 36 -6.283 9.539 -32.617 235 HB3 LYS 36 3HB LYS 36 -4.879 10.487 -33.089 236 HG2 LYS 36 2HG LYS 36 -5.016 7.792 -34.251 237 HG3 LYS 36 3HG LYS 36 -6.286 8.907 -34.763 238 HD2 LYS 36 2HD LYS 36 -3.369 9.645 -34.799 239 HD3 LYS 36 3HD LYS 36 -4.169 8.868 -36.167 240 HE2 LYS 36 2HE LYS 36 -5.597 11.188 -35.087 241 HE3 LYS 36 3HE LYS 36 -4.010 11.562 -35.758 242 HZ1 LYS 36 1HZ LYS 36 -4.713 11.175 -37.830 243 HZ2 LYS 36 2HZ LYS 36 -6.271 11.352 -37.196 244 HZ3 LYS 36 3HZ LYS 36 -5.610 9.808 -37.397 245 H ARG 37 H ARG 37 -2.658 10.500 -31.503 246 HA ARG 37 HA ARG 37 -0.669 9.387 -33.313 247 HB2 ARG 37 2HB ARG 37 -0.805 11.945 -31.721 248 HB3 ARG 37 3HB ARG 37 0.624 11.465 -32.626 249 HG2 ARG 37 2HG ARG 37 -2.070 11.692 -33.924 250 HG3 ARG 37 3HG ARG 37 -0.993 13.078 -33.745 251 HD2 ARG 37 2HD ARG 37 -0.022 10.526 -34.976 252 HD3 ARG 37 3HD ARG 37 -0.917 11.705 -35.933 253 HE ARG 37 HE ARG 37 1.789 11.932 -34.984 254 HH11 ARG 37 1HH1 ARG 37 -1.028 13.665 -36.069 255 HH12 ARG 37 2HH1 ARG 37 -0.136 15.064 -36.569 256 HH21 ARG 37 1HH2 ARG 37 2.975 13.767 -35.638 257 HH22 ARG 37 2HH2 ARG 37 2.141 15.120 -36.325 258 H GLN 38 H GLN 38 -1.388 9.480 -29.950 259 HA GLN 38 HA GLN 38 1.297 8.917 -29.068 260 HB2 GLN 38 2HB GLN 38 -0.510 10.127 -27.727 261 HB3 GLN 38 3HB GLN 38 -1.224 8.542 -27.462 262 HG2 GLN 38 2HG GLN 38 1.353 8.090 -26.742 263 HG3 GLN 38 3HG GLN 38 1.142 9.772 -26.257 264 HE21 GLN 38 1HE2 GLN 38 -0.209 6.537 -25.935 265 HE22 GLN 38 2HE2 GLN 38 -0.923 6.791 -24.383 266 H GLU 39 H GLU 39 -1.373 7.114 -30.229 267 HA GLU 39 HA GLU 39 -1.065 4.672 -28.931 268 HB2 GLU 39 2HB GLU 39 -2.302 3.701 -30.707 269 HB3 GLU 39 3HB GLU 39 -2.904 5.344 -30.533 270 HG2 GLU 39 2HG GLU 39 -1.268 5.953 -32.394 271 HG3 GLU 39 3HG GLU 39 -1.139 4.218 -32.675 272 H ARG 40 H ARG 40 0.937 6.207 -31.277 273 HA ARG 40 HA ARG 40 2.316 3.768 -32.024 274 HB2 ARG 40 2HB ARG 40 1.978 5.557 -33.681 275 HB3 ARG 40 3HB ARG 40 2.935 6.651 -32.691 276 HG2 ARG 40 2HG ARG 40 4.169 5.696 -34.612 277 HG3 ARG 40 3HG ARG 40 4.911 5.348 -33.049 278 HD2 ARG 40 2HD ARG 40 3.923 3.120 -33.065 279 HD3 ARG 40 3HD ARG 40 3.140 3.467 -34.606 280 HE ARG 40 HE ARG 40 5.947 3.837 -34.786 281 HH11 ARG 40 1HH1 ARG 40 3.486 1.378 -34.664 282 HH12 ARG 40 2HH1 ARG 40 4.423 0.212 -35.539 283 HH21 ARG 40 1HH2 ARG 40 7.191 2.311 -35.938 284 HH22 ARG 40 2HH2 ARG 40 6.530 0.744 -36.262 285 H GLU 41 H GLU 41 2.780 6.524 -29.910 286 HA GLU 41 HA GLU 41 5.487 5.710 -29.235 287 HB2 GLU 41 2HB GLU 41 3.739 8.024 -28.439 288 HB3 GLU 41 3HB GLU 41 5.239 7.680 -27.588 289 HG2 GLU 41 2HG GLU 41 5.260 7.929 -30.557 290 HG3 GLU 41 3HG GLU 41 5.198 9.379 -29.557 291 H LEU 42 H LEU 42 2.444 4.787 -28.336 292 HA LEU 42 HA LEU 42 2.582 4.615 -25.539 293 HB2 LEU 42 2HB LEU 42 0.477 4.278 -26.485 294 HB3 LEU 42 3HB LEU 42 1.084 3.092 -27.638 295 HG LEU 42 HG LEU 42 1.396 1.500 -25.757 296 HD11 LEU 42 1HD1 LEU 42 -0.387 2.953 -23.963 297 HD12 LEU 42 2HD1 LEU 42 1.192 3.714 -24.160 298 HD13 LEU 42 3HD1 LEU 42 1.082 2.041 -23.614 299 HD21 LEU 42 1HD2 LEU 42 -1.150 1.295 -25.306 300 HD22 LEU 42 2HD2 LEU 42 -0.543 1.094 -26.950 301 HD23 LEU 42 3HD2 LEU 42 -1.286 2.619 -26.464 302 H THR 43 H THR 43 4.317 2.958 -27.937 303 HA THR 43 HA THR 43 4.795 0.554 -26.417 304 HB THR 43 HB THR 43 6.789 0.826 -28.401 305 HG1 THR 43 HG1 THR 43 4.222 1.419 -29.471 306 HG21 THR 43 1HG2 THR 43 4.326 -0.661 -29.066 307 HG22 THR 43 2HG2 THR 43 5.097 -1.090 -27.538 308 HG23 THR 43 3HG2 THR 43 6.005 -1.199 -29.046 309 HA PRO 44 HA PRO 44 9.188 2.467 -25.902 310 HB2 PRO 44 2HB PRO 44 9.588 4.993 -26.812 311 HB3 PRO 44 3HB PRO 44 9.823 3.560 -27.820 312 HG2 PRO 44 2HG PRO 44 7.482 5.421 -27.691 313 HG3 PRO 44 3HG PRO 44 8.273 4.715 -29.113 314 HD2 PRO 44 2HD PRO 44 5.964 3.735 -28.092 315 HD3 PRO 44 3HD PRO 44 7.175 2.702 -28.879 316 H LEU 45 H LEU 45 6.617 4.916 -25.790 317 HA LEU 45 HA LEU 45 7.645 6.297 -23.538 318 HB2 LEU 45 2HB LEU 45 5.894 7.034 -25.293 319 HB3 LEU 45 3HB LEU 45 4.736 6.212 -24.249 320 HG LEU 45 HG LEU 45 6.101 7.863 -22.508 321 HD11 LEU 45 1HD1 LEU 45 7.215 9.055 -24.263 322 HD12 LEU 45 2HD1 LEU 45 5.954 10.091 -23.594 323 HD13 LEU 45 3HD1 LEU 45 5.699 9.277 -25.138 324 HD21 LEU 45 1HD2 LEU 45 3.629 8.820 -23.876 325 HD22 LEU 45 2HD2 LEU 45 4.041 8.820 -22.160 326 HD23 LEU 45 3HD2 LEU 45 3.582 7.314 -22.957 327 H PHE 46 H PHE 46 5.886 3.372 -23.897 328 HA PHE 46 HA PHE 46 5.394 3.299 -20.993 329 HB2 PHE 46 2HB PHE 46 3.467 3.115 -22.868 330 HB3 PHE 46 3HB PHE 46 3.918 1.418 -22.745 331 HD1 PHE 46 HD1 PHE 46 3.001 4.332 -20.617 332 HD2 PHE 46 HD2 PHE 46 2.948 0.105 -21.117 333 HE1 PHE 46 HE1 PHE 46 1.607 4.114 -18.601 334 HE2 PHE 46 HE2 PHE 46 1.553 -0.119 -19.102 335 HZ PHE 46 HZ PHE 46 0.881 1.887 -17.842 336 H ALA 47 H ALA 47 7.652 2.399 -22.953 337 HA ALA 47 HA ALA 47 7.767 -0.448 -22.395 338 HB1 ALA 47 1HB ALA 47 10.214 0.394 -23.478 339 HB2 ALA 47 2HB ALA 47 8.893 -0.431 -24.307 340 HB3 ALA 47 3HB ALA 47 8.965 1.331 -24.298 341 H GLN 48 H GLN 48 8.584 2.364 -20.784 342 HA GLN 48 HA GLN 48 10.888 1.201 -19.414 343 HB2 GLN 48 2HB GLN 48 9.681 3.910 -18.890 344 HB3 GLN 48 3HB GLN 48 11.311 3.357 -18.527 345 HG2 GLN 48 2HG GLN 48 12.034 4.107 -20.472 346 HG3 GLN 48 3HG GLN 48 10.861 3.106 -21.327 347 HE21 GLN 48 1HE2 GLN 48 8.500 4.236 -20.532 348 HE22 GLN 48 2HE2 GLN 48 8.394 5.851 -21.136 349 HA PRO 49 HA PRO 49 8.387 -0.227 -16.065 350 HB2 PRO 49 2HB PRO 49 10.383 -0.634 -14.270 351 HB3 PRO 49 3HB PRO 49 10.089 -1.711 -15.640 352 HG2 PRO 49 2HG PRO 49 12.106 0.483 -15.353 353 HG3 PRO 49 3HG PRO 49 12.307 -1.139 -16.042 354 HD2 PRO 49 2HD PRO 49 11.970 1.065 -17.578 355 HD3 PRO 49 3HD PRO 49 11.370 -0.535 -18.059 356 H ALA 50 H ALA 50 7.905 2.353 -16.227 357 HA ALA 50 HA ALA 50 8.825 3.661 -13.776 358 HB1 ALA 50 1HB ALA 50 7.152 5.437 -15.066 359 HB2 ALA 50 2HB ALA 50 8.913 5.401 -15.167 360 HB3 ALA 50 3HB ALA 50 7.942 4.576 -16.386 361 H GLN 51 H GLN 51 5.944 2.374 -15.299 362 HA GLN 51 HA GLN 51 4.086 3.438 -13.428 363 HB2 GLN 51 2HB GLN 51 3.442 2.669 -15.685 364 HB3 GLN 51 3HB GLN 51 3.819 1.016 -15.218 365 HG2 GLN 51 2HG GLN 51 1.921 2.423 -13.468 366 HG3 GLN 51 3HG GLN 51 1.358 2.104 -15.108 367 HE21 GLN 51 1HE2 GLN 51 2.302 -0.265 -15.756 368 HE22 GLN 51 2HE2 GLN 51 1.772 -1.493 -14.663 369 H ARG 52 H ARG 52 6.450 1.112 -13.102 370 HA ARG 52 HA ARG 52 5.038 -0.657 -11.318 371 HB2 ARG 52 2HB ARG 52 6.878 -1.493 -12.706 372 HB3 ARG 52 3HB ARG 52 7.993 -0.396 -11.903 373 HG2 ARG 52 2HG ARG 52 7.266 -1.608 -9.742 374 HG3 ARG 52 3HG ARG 52 6.678 -2.859 -10.840 375 HD2 ARG 52 2HD ARG 52 8.896 -3.078 -11.809 376 HD3 ARG 52 3HD ARG 52 9.494 -1.780 -10.777 377 HE ARG 52 HE ARG 52 8.496 -3.611 -9.029 378 HH11 ARG 52 1HH1 ARG 52 10.816 -3.722 -11.622 379 HH12 ARG 52 2HH1 ARG 52 11.754 -4.988 -10.903 380 HH21 ARG 52 1HH2 ARG 52 9.723 -5.279 -8.072 381 HH22 ARG 52 2HH2 ARG 52 11.131 -5.874 -8.884 382 H ASP 53 H ASP 53 6.955 2.225 -11.064 383 HA ASP 53 HA ASP 53 6.809 2.037 -8.126 384 HB2 ASP 53 2HB ASP 53 9.013 2.731 -9.904 385 HB3 ASP 53 3HB ASP 53 8.720 3.969 -8.686 386 H LEU 54 H LEU 54 5.438 3.481 -10.719 387 HA LEU 54 HA LEU 54 4.597 5.784 -9.112 388 HB2 LEU 54 2HB LEU 54 6.139 6.838 -10.493 389 HB3 LEU 54 3HB LEU 54 5.741 5.820 -11.875 390 HG LEU 54 HG LEU 54 3.504 7.478 -11.023 391 HD11 LEU 54 1HD1 LEU 54 5.066 9.351 -12.370 392 HD12 LEU 54 2HD1 LEU 54 6.112 8.698 -11.110 393 HD13 LEU 54 3HD1 LEU 54 4.553 9.403 -10.684 394 HD21 LEU 54 1HD2 LEU 54 4.997 6.976 -13.587 395 HD22 LEU 54 2HD2 LEU 54 3.626 8.080 -13.471 396 HD23 LEU 54 3HD2 LEU 54 3.412 6.366 -13.111 397 H ARG 55 H ARG 55 2.466 6.283 -9.267 398 HA ARG 55 HA ARG 55 0.745 4.371 -10.535 399 HB2 ARG 55 2HB ARG 55 -0.006 6.964 -9.176 400 HB3 ARG 55 3HB ARG 55 -1.072 5.609 -9.520 401 HG2 ARG 55 2HG ARG 55 -0.071 4.262 -7.883 402 HG3 ARG 55 3HG ARG 55 1.333 5.322 -7.753 403 HD2 ARG 55 2HD ARG 55 0.094 6.989 -6.633 404 HD3 ARG 55 3HD ARG 55 -1.443 6.239 -7.060 405 HE ARG 55 HE ARG 55 0.029 4.423 -5.524 406 HH11 ARG 55 1HH1 ARG 55 -1.572 7.497 -5.190 407 HH12 ARG 55 2HH1 ARG 55 -1.932 7.274 -3.510 408 HH21 ARG 55 1HH2 ARG 55 -0.439 4.119 -3.312 409 HH22 ARG 55 2HH2 ARG 55 -1.286 5.353 -2.442 410 H VAL 56 H VAL 56 -0.998 4.943 -12.007 411 HA VAL 56 HA VAL 56 -0.436 7.290 -13.685 412 HB VAL 56 HB VAL 56 0.564 5.586 -14.961 413 HG11 VAL 56 1HG1 VAL 56 -1.863 3.867 -14.453 414 HG12 VAL 56 2HG1 VAL 56 -0.445 3.418 -15.404 415 HG13 VAL 56 3HG1 VAL 56 -0.295 3.686 -13.667 416 HG21 VAL 56 1HG2 VAL 56 -1.334 7.032 -16.027 417 HG22 VAL 56 2HG2 VAL 56 -0.605 5.713 -16.944 418 HG23 VAL 56 3HG2 VAL 56 -2.168 5.484 -16.160 419 H PHE 57 H PHE 57 -2.199 8.509 -13.481 420 HA PHE 57 HA PHE 57 -4.831 7.195 -13.462 421 HB2 PHE 57 2HB PHE 57 -5.257 8.526 -11.716 422 HB3 PHE 57 3HB PHE 57 -3.710 9.342 -11.915 423 HD1 PHE 57 HD1 PHE 57 -7.237 9.343 -13.032 424 HD2 PHE 57 HD2 PHE 57 -3.596 11.529 -12.748 425 HE1 PHE 57 HE1 PHE 57 -8.413 11.387 -13.735 426 HE2 PHE 57 HE2 PHE 57 -4.766 13.576 -13.450 427 HZ PHE 57 HZ PHE 57 -7.178 13.507 -13.943 428 H LYS 58 H LYS 58 -6.136 7.431 -15.152 429 HA LYS 58 HA LYS 58 -5.408 9.402 -17.206 430 HB2 LYS 58 2HB LYS 58 -6.537 6.677 -17.267 431 HB3 LYS 58 3HB LYS 58 -7.256 7.806 -18.407 432 HG2 LYS 58 2HG LYS 58 -5.165 8.210 -19.457 433 HG3 LYS 58 3HG LYS 58 -4.293 7.349 -18.186 434 HD2 LYS 58 2HD LYS 58 -6.136 5.497 -19.107 435 HD3 LYS 58 3HD LYS 58 -5.598 6.324 -20.570 436 HE2 LYS 58 2HE LYS 58 -3.242 5.925 -19.818 437 HE3 LYS 58 3HE LYS 58 -3.890 4.924 -18.519 438 HZ1 LYS 58 1HZ LYS 58 -5.034 3.637 -20.360 439 HZ2 LYS 58 2HZ LYS 58 -3.360 3.442 -20.223 440 HZ3 LYS 58 3HZ LYS 58 -3.999 4.437 -21.433 441 H VAL 59 H VAL 59 -6.844 10.904 -17.937 442 HA VAL 59 HA VAL 59 -9.478 10.978 -16.613 443 HB VAL 59 HB VAL 59 -8.291 12.739 -15.608 444 HG11 VAL 59 1HG1 VAL 59 -7.028 14.430 -16.951 445 HG12 VAL 59 2HG1 VAL 59 -6.329 12.810 -16.970 446 HG13 VAL 59 3HG1 VAL 59 -7.248 13.391 -18.359 447 HG21 VAL 59 1HG2 VAL 59 -9.540 14.624 -16.179 448 HG22 VAL 59 2HG2 VAL 59 -9.577 14.200 -17.891 449 HG23 VAL 59 3HG2 VAL 59 -10.541 13.282 -16.733 450 H ASN 60 H ASN 60 -11.114 10.841 -17.988 451 HA ASN 60 HA ASN 60 -10.662 11.332 -20.824 452 HB2 ASN 60 2HB ASN 60 -12.594 9.780 -19.220 453 HB3 ASN 60 3HB ASN 60 -13.259 10.537 -20.664 454 HD21 ASN 60 1HD2 ASN 60 -13.596 8.381 -21.433 455 HD22 ASN 60 2HD2 ASN 60 -12.291 7.506 -22.153 456 H PHE 61 H PHE 61 -12.027 12.679 -22.086 457 HA PHE 61 HA PHE 61 -12.526 15.204 -21.007 458 HB2 PHE 61 2HB PHE 61 -13.496 15.772 -23.116 459 HB3 PHE 61 3HB PHE 61 -12.188 14.640 -23.442 460 HD1 PHE 61 HD1 PHE 61 -12.740 12.250 -23.933 461 HD2 PHE 61 HD2 PHE 61 -15.711 15.292 -23.736 462 HE1 PHE 61 HE1 PHE 61 -14.300 10.802 -25.168 463 HE2 PHE 61 HE2 PHE 61 -17.276 13.848 -24.969 464 HZ PHE 61 HZ PHE 61 -16.571 11.600 -25.686 465 H ASP 62 H ASP 62 -14.369 12.356 -20.820 466 HA ASP 62 HA ASP 62 -16.947 13.593 -20.554 467 HB2 ASP 62 2HB ASP 62 -16.055 10.815 -19.750 468 HB3 ASP 62 3HB ASP 62 -17.721 11.367 -19.901 469 H THR 63 H THR 63 -14.264 13.150 -18.514 470 HA THR 63 HA THR 63 -15.916 13.583 -16.115 471 HB THR 63 HB THR 63 -13.027 12.724 -16.098 472 HG1 THR 63 HG1 THR 63 -14.455 11.211 -17.245 473 HG21 THR 63 1HG2 THR 63 -15.208 13.009 -14.100 474 HG22 THR 63 2HG2 THR 63 -13.480 13.323 -13.941 475 HG23 THR 63 3HG2 THR 63 -14.083 11.667 -13.897 476 H GLN 64 H GLN 64 -13.456 14.916 -18.142 477 HA GLN 64 HA GLN 64 -13.075 17.136 -16.245 478 HB2 GLN 64 2HB GLN 64 -10.972 17.604 -17.407 479 HB3 GLN 64 3HB GLN 64 -11.002 15.956 -16.794 480 HG2 GLN 64 2HG GLN 64 -11.103 15.029 -18.880 481 HG3 GLN 64 3HG GLN 64 -11.869 16.448 -19.593 482 HE21 GLN 64 1HE2 GLN 64 -8.921 16.133 -17.664 483 HE22 GLN 64 2HE2 GLN 64 -7.860 16.794 -18.856 484 H LYS 65 H LYS 65 -15.241 16.667 -18.278 485 HA LYS 65 HA LYS 65 -14.960 18.321 -20.499 486 HB2 LYS 65 2HB LYS 65 -17.449 18.478 -20.449 487 HB3 LYS 65 3HB LYS 65 -16.840 16.833 -20.324 488 HG2 LYS 65 2HG LYS 65 -17.442 16.640 -18.097 489 HG3 LYS 65 3HG LYS 65 -17.505 18.388 -17.860 490 HD2 LYS 65 2HD LYS 65 -19.622 18.545 -18.630 491 HD3 LYS 65 3HD LYS 65 -19.373 17.311 -19.867 492 HE2 LYS 65 2HE LYS 65 -19.711 15.558 -18.319 493 HE3 LYS 65 3HE LYS 65 -19.582 16.649 -16.941 494 HZ1 LYS 65 1HZ LYS 65 -21.798 16.656 -17.015 495 HZ2 LYS 65 2HZ LYS 65 -21.861 16.037 -18.588 496 HZ3 LYS 65 3HZ LYS 65 -21.640 17.696 -18.340 497 H ALA 66 H ALA 66 -15.145 19.140 -17.197 498 HA ALA 66 HA ALA 66 -16.126 21.834 -17.654 499 HB1 ALA 66 1HB ALA 66 -16.571 20.351 -15.583 500 HB2 ALA 66 2HB ALA 66 -14.969 20.878 -15.064 501 HB3 ALA 66 3HB ALA 66 -16.239 22.068 -15.350 502 H ALA 67 H ALA 67 -13.205 20.276 -17.974 503 HA ALA 67 HA ALA 67 -11.497 22.387 -17.003 504 HB1 ALA 67 1HB ALA 67 -10.287 20.481 -18.850 505 HB2 ALA 67 2HB ALA 67 -9.846 20.892 -17.192 506 HB3 ALA 67 3HB ALA 67 -11.125 19.718 -17.499 507 H LEU 68 H LEU 68 -12.312 21.070 -20.213 508 HA LEU 68 HA LEU 68 -10.990 23.248 -21.560 509 HB2 LEU 68 2HB LEU 68 -12.210 22.142 -23.574 510 HB3 LEU 68 3HB LEU 68 -10.843 21.332 -22.810 511 HG LEU 68 HG LEU 68 -12.866 19.910 -23.436 512 HD11 LEU 68 1HD1 LEU 68 -11.150 19.879 -21.127 513 HD12 LEU 68 2HD1 LEU 68 -11.723 18.539 -22.119 514 HD13 LEU 68 3HD1 LEU 68 -12.698 19.114 -20.767 515 HD21 LEU 68 1HD2 LEU 68 -14.456 21.649 -22.432 516 HD22 LEU 68 2HD2 LEU 68 -14.013 20.960 -20.869 517 HD23 LEU 68 3HD2 LEU 68 -14.780 19.948 -22.094 518 H GLN 69 H GLN 69 -14.083 22.681 -20.254 519 HA GLN 69 HA GLN 69 -15.461 24.530 -22.008 520 HB2 GLN 69 2HB GLN 69 -16.264 22.846 -19.661 521 HB3 GLN 69 3HB GLN 69 -17.312 24.146 -20.212 522 HG2 GLN 69 2HG GLN 69 -16.337 22.279 -22.277 523 HG3 GLN 69 3HG GLN 69 -17.484 21.635 -21.104 524 HE21 GLN 69 1HE2 GLN 69 -19.302 21.484 -22.256 525 HE22 GLN 69 2HE2 GLN 69 -20.070 22.796 -23.075 526 H GLN 70 H GLN 70 -13.890 24.547 -18.910 527 HA GLN 70 HA GLN 70 -14.967 27.171 -18.235 528 HB2 GLN 70 2HB GLN 70 -14.776 25.477 -16.463 529 HB3 GLN 70 3HB GLN 70 -13.039 25.397 -16.725 530 HG2 GLN 70 2HG GLN 70 -13.021 27.891 -16.183 531 HG3 GLN 70 3HG GLN 70 -14.654 27.638 -15.567 532 HE21 GLN 70 1HE2 GLN 70 -11.694 28.054 -14.529 533 HE22 GLN 70 2HE2 GLN 70 -11.662 27.022 -13.145 534 H PHE 71 H PHE 71 -11.944 25.643 -19.189 535 HA PHE 71 HA PHE 71 -10.510 28.170 -19.036 536 HB2 PHE 71 2HB PHE 71 -9.662 25.360 -19.734 537 HB3 PHE 71 3HB PHE 71 -8.582 26.742 -19.881 538 HD1 PHE 71 HD1 PHE 71 -7.179 27.173 -18.123 539 HD2 PHE 71 HD2 PHE 71 -10.884 25.219 -17.369 540 HE1 PHE 71 HE1 PHE 71 -6.575 26.953 -15.748 541 HE2 PHE 71 HE2 PHE 71 -10.287 24.996 -14.992 542 HZ PHE 71 HZ PHE 71 -8.131 25.865 -14.179 543 H ARG 72 H ARG 72 -12.530 26.734 -21.202 544 HA ARG 72 HA ARG 72 -13.039 27.126 -23.385 545 HB2 ARG 72 2HB ARG 72 -12.326 29.519 -22.513 546 HB3 ARG 72 3HB ARG 72 -10.965 29.263 -23.597 547 HG2 ARG 72 2HG ARG 72 -12.638 28.796 -25.415 548 HG3 ARG 72 3HG ARG 72 -13.886 29.353 -24.298 549 HD2 ARG 72 2HD ARG 72 -11.530 31.108 -24.681 550 HD3 ARG 72 3HD ARG 72 -12.659 30.975 -26.030 551 HE ARG 72 HE ARG 72 -14.248 31.456 -23.870 552 HH11 ARG 72 1HH1 ARG 72 -11.503 33.053 -25.295 553 HH12 ARG 72 2HH1 ARG 72 -11.997 34.636 -24.792 554 HH21 ARG 72 1HH2 ARG 72 -14.910 33.534 -23.201 555 HH22 ARG 72 2HH2 ARG 72 -13.935 34.907 -23.600 556 H VAL 73 H VAL 73 -11.233 25.104 -22.877 557 HA VAL 73 HA VAL 73 -9.295 25.339 -25.084 558 HB VAL 73 HB VAL 73 -8.984 23.062 -23.252 559 HG11 VAL 73 1HG1 VAL 73 -6.969 23.140 -24.178 560 HG12 VAL 73 2HG1 VAL 73 -7.435 24.596 -25.060 561 HG13 VAL 73 3HG1 VAL 73 -6.689 24.729 -23.467 562 HG21 VAL 73 1HG2 VAL 73 -7.949 24.424 -21.472 563 HG22 VAL 73 2HG2 VAL 73 -8.547 25.880 -22.267 564 HG23 VAL 73 3HG2 VAL 73 -9.685 24.700 -21.616 565 H SER 74 H SER 74 -8.719 22.692 -25.489 566 HA SER 74 HA SER 74 -10.905 20.960 -25.731 567 HB2 SER 74 2HB SER 74 -10.606 22.952 -27.896 568 HB3 SER 74 3HB SER 74 -10.816 21.283 -28.426 569 HG SER 74 HG SER 74 -12.648 22.983 -27.457 570 H GLN 75 H GLN 75 -8.989 19.813 -24.931 571 HA GLN 75 HA GLN 75 -7.867 18.154 -26.905 572 HB2 GLN 75 2HB GLN 75 -6.477 20.595 -26.553 573 HB3 GLN 75 3HB GLN 75 -5.498 19.340 -25.806 574 HG2 GLN 75 2HG GLN 75 -5.003 18.362 -27.771 575 HG3 GLN 75 3HG GLN 75 -6.586 18.705 -28.466 576 HE21 GLN 75 1HE2 GLN 75 -3.757 20.508 -27.300 577 HE22 GLN 75 2HE2 GLN 75 -3.694 21.605 -28.633 578 H GLN 76 H GLN 76 -6.976 16.332 -26.019 579 HA GLN 76 HA GLN 76 -6.797 16.281 -23.078 580 HB2 GLN 76 2HB GLN 76 -7.695 14.131 -24.999 581 HB3 GLN 76 3HB GLN 76 -7.371 13.840 -23.295 582 HG2 GLN 76 2HG GLN 76 -9.690 14.106 -23.455 583 HG3 GLN 76 3HG GLN 76 -9.088 15.629 -22.802 584 HE21 GLN 76 1HE2 GLN 76 -11.096 16.533 -23.530 585 HE22 GLN 76 2HE2 GLN 76 -11.285 16.997 -25.183 586 H SER 77 H SER 77 -4.545 16.909 -23.356 587 HA SER 77 HA SER 77 -2.855 14.554 -23.709 588 HB2 SER 77 2HB SER 77 -1.303 16.554 -24.840 589 HB3 SER 77 3HB SER 77 -2.133 15.268 -25.717 590 HG SER 77 HG SER 77 -3.434 17.682 -25.041 591 H THR 78 H THR 78 -3.854 16.616 -21.619 592 HA THR 78 HA THR 78 -1.592 18.013 -20.666 593 HB THR 78 HB THR 78 -4.115 17.127 -19.262 594 HG1 THR 78 HG1 THR 78 -3.199 19.582 -20.373 595 HG21 THR 78 1HG2 THR 78 -1.741 18.648 -18.243 596 HG22 THR 78 2HG2 THR 78 -2.656 17.358 -17.464 597 HG23 THR 78 3HG2 THR 78 -3.353 18.971 -17.606 598 H LEU 79 H LEU 79 0.017 17.458 -19.295 599 HA LEU 79 HA LEU 79 -0.092 14.871 -17.935 600 HB2 LEU 79 2HB LEU 79 1.185 15.013 -20.287 601 HB3 LEU 79 3HB LEU 79 2.484 15.547 -19.222 602 HG LEU 79 HG LEU 79 1.049 12.897 -19.175 603 HD11 LEU 79 1HD1 LEU 79 3.485 12.141 -19.421 604 HD12 LEU 79 2HD1 LEU 79 3.810 13.804 -19.908 605 HD13 LEU 79 3HD1 LEU 79 2.681 12.818 -20.837 606 HD21 LEU 79 1HD2 LEU 79 1.357 13.252 -16.918 607 HD22 LEU 79 2HD2 LEU 79 2.809 14.223 -17.159 608 HD23 LEU 79 3HD2 LEU 79 2.874 12.472 -17.366 609 H ILE 80 H ILE 80 0.816 14.889 -15.954 610 HA ILE 80 HA ILE 80 2.854 16.766 -15.206 611 HB ILE 80 HB ILE 80 1.127 18.340 -14.935 612 HG12 ILE 80 2HG1 ILE 80 1.154 17.219 -12.158 613 HG13 ILE 80 3HG1 ILE 80 2.665 17.749 -12.887 614 HG21 ILE 80 1HG2 ILE 80 -0.862 17.544 -13.345 615 HG22 ILE 80 2HG2 ILE 80 -0.912 17.364 -15.098 616 HG23 ILE 80 3HG2 ILE 80 -0.461 15.994 -14.084 617 HD11 ILE 80 1HD1 ILE 80 1.431 19.945 -13.356 618 HD12 ILE 80 2HD1 ILE 80 0.252 19.364 -12.180 619 HD13 ILE 80 3HD1 ILE 80 1.932 19.600 -11.701 620 H LEU 81 H LEU 81 4.132 15.338 -14.211 621 HA LEU 81 HA LEU 81 2.960 13.340 -12.426 622 HB2 LEU 81 2HB LEU 81 4.471 12.118 -13.533 623 HB3 LEU 81 3HB LEU 81 5.373 13.539 -14.054 624 HG LEU 81 HG LEU 81 6.501 13.587 -11.855 625 HD11 LEU 81 1HD1 LEU 81 5.399 12.555 -10.202 626 HD12 LEU 81 2HD1 LEU 81 6.192 11.098 -10.798 627 HD13 LEU 81 3HD1 LEU 81 4.547 11.477 -11.308 628 HD21 LEU 81 1HD2 LEU 81 7.686 12.533 -13.611 629 HD22 LEU 81 2HD2 LEU 81 6.686 11.083 -13.514 630 HD23 LEU 81 3HD2 LEU 81 7.818 11.464 -12.215 631 H TYR 82 H TYR 82 2.911 13.650 -10.308 632 HA TYR 82 HA TYR 82 4.540 15.786 -9.147 633 HB2 TYR 82 2HB TYR 82 1.992 14.435 -8.387 634 HB3 TYR 82 3HB TYR 82 2.984 15.114 -7.101 635 HD1 TYR 82 HD1 TYR 82 3.545 17.568 -7.167 636 HD2 TYR 82 HD2 TYR 82 0.655 15.820 -9.754 637 HE1 TYR 82 HE1 TYR 82 2.603 19.797 -7.611 638 HE2 TYR 82 HE2 TYR 82 -0.294 18.044 -10.207 639 HH TYR 82 HH TYR 82 -0.260 20.205 -9.662 640 H ARG 83 H ARG 83 6.273 15.370 -7.952 641 HA ARG 83 HA ARG 83 6.648 12.625 -6.949 642 HB2 ARG 83 2HB ARG 83 8.229 13.564 -8.755 643 HB3 ARG 83 3HB ARG 83 8.885 14.567 -7.468 644 HG2 ARG 83 2HG ARG 83 8.805 11.948 -6.459 645 HG3 ARG 83 3HG ARG 83 9.445 11.837 -8.100 646 HD2 ARG 83 2HD ARG 83 11.408 12.360 -7.152 647 HD3 ARG 83 3HD ARG 83 10.778 14.007 -7.131 648 HE ARG 83 HE ARG 83 10.661 13.881 -4.855 649 HH11 ARG 83 1HH1 ARG 83 10.870 10.655 -6.147 650 HH12 ARG 83 2HH1 ARG 83 11.021 9.902 -4.594 651 HH21 ARG 83 1HH2 ARG 83 10.859 12.902 -2.804 652 HH22 ARG 83 2HH2 ARG 83 11.014 11.181 -2.693 653 H ASN 84 H ASN 84 5.906 12.774 -4.887 654 HA ASN 84 HA ASN 84 5.961 13.224 -2.657 655 HB2 ASN 84 2HB ASN 84 8.522 13.201 -3.237 656 HB3 ASN 84 3HB ASN 84 8.397 14.938 -2.978 657 HD21 ASN 84 1HD2 ASN 84 8.625 15.653 -0.983 658 HD22 ASN 84 2HD2 ASN 84 8.516 14.697 0.453 659 H GLY 85 H GLY 85 4.581 14.953 -4.534 660 HA2 GLY 85 2HA GLY 85 3.184 16.780 -4.175 661 HA3 GLY 85 3HA GLY 85 4.111 17.174 -2.735 662 H GLN 86 H GLN 86 5.585 16.662 -5.868 663 HA GLN 86 HA GLN 86 5.909 19.550 -6.228 664 HB2 GLN 86 2HB GLN 86 7.891 18.289 -5.014 665 HB3 GLN 86 3HB GLN 86 8.299 17.813 -6.657 666 HG2 GLN 86 2HG GLN 86 9.507 19.815 -5.921 667 HG3 GLN 86 3HG GLN 86 8.490 20.115 -7.329 668 HE21 GLN 86 1HE2 GLN 86 8.698 22.358 -6.716 669 HE22 GLN 86 2HE2 GLN 86 7.654 23.010 -5.505 670 H GLU 87 H GLU 87 5.871 20.203 -8.314 671 HA GLU 87 HA GLU 87 5.101 18.296 -10.307 672 HB2 GLU 87 2HB GLU 87 5.028 20.282 -11.811 673 HB3 GLU 87 3HB GLU 87 4.072 20.468 -10.348 674 HG2 GLU 87 2HG GLU 87 6.529 21.493 -9.640 675 HG3 GLU 87 3HG GLU 87 6.325 22.017 -11.311 676 H VAL 88 H VAL 88 6.518 17.037 -11.308 677 HA VAL 88 HA VAL 88 9.304 17.746 -11.512 678 HB VAL 88 HB VAL 88 7.813 15.370 -12.637 679 HG11 VAL 88 1HG1 VAL 88 10.502 14.730 -12.280 680 HG12 VAL 88 2HG1 VAL 88 9.662 14.981 -13.812 681 HG13 VAL 88 3HG1 VAL 88 10.508 16.322 -13.038 682 HG21 VAL 88 1HG2 VAL 88 9.615 15.466 -10.227 683 HG22 VAL 88 2HG2 VAL 88 7.862 15.633 -10.129 684 HG23 VAL 88 3HG2 VAL 88 8.572 14.144 -10.752 685 H ARG 89 H ARG 89 6.979 16.674 -13.998 686 HA ARG 89 HA ARG 89 7.960 18.780 -15.776 687 HB2 ARG 89 2HB ARG 89 8.248 15.849 -16.186 688 HB3 ARG 89 3HB ARG 89 7.803 16.817 -17.585 689 HG2 ARG 89 2HG ARG 89 10.098 17.708 -15.920 690 HG3 ARG 89 3HG ARG 89 10.315 16.328 -16.998 691 HD2 ARG 89 2HD ARG 89 9.557 17.681 -18.887 692 HD3 ARG 89 3HD ARG 89 9.322 19.057 -17.811 693 HE ARG 89 HE ARG 89 11.789 18.156 -18.934 694 HH11 ARG 89 1HH1 ARG 89 10.358 19.754 -16.192 695 HH12 ARG 89 2HH1 ARG 89 11.797 20.628 -15.785 696 HH21 ARG 89 1HH2 ARG 89 13.691 19.301 -18.408 697 HH22 ARG 89 2HH2 ARG 89 13.692 20.370 -17.047 698 H ARG 90 H ARG 90 6.563 19.148 -17.633 699 HA ARG 90 HA ARG 90 3.978 17.888 -17.717 700 HB2 ARG 90 2HB ARG 90 3.448 19.356 -15.929 701 HB3 ARG 90 3HB ARG 90 4.294 20.700 -16.684 702 HG2 ARG 90 2HG ARG 90 2.073 19.569 -18.245 703 HG3 ARG 90 3HG ARG 90 1.623 20.370 -16.738 704 HD2 ARG 90 2HD ARG 90 3.590 21.832 -18.343 705 HD3 ARG 90 3HD ARG 90 2.026 21.623 -19.130 706 HE ARG 90 HE ARG 90 1.540 22.489 -16.533 707 HH11 ARG 90 1HH1 ARG 90 3.058 23.673 -19.434 708 HH12 ARG 90 2HH1 ARG 90 2.716 25.336 -19.090 709 HH21 ARG 90 1HH2 ARG 90 1.083 24.676 -16.070 710 HH22 ARG 90 2HH2 ARG 90 1.593 25.905 -17.176 711 H SER 91 H SER 91 2.949 18.199 -19.656 712 HA SER 91 HA SER 91 3.666 20.310 -21.457 713 HB2 SER 91 2HB SER 91 5.244 19.312 -22.696 714 HB3 SER 91 3HB SER 91 5.279 17.999 -21.520 715 HG SER 91 HG SER 91 3.708 18.182 -23.871 716 H ILE 92 H ILE 92 2.003 20.720 -22.775 717 HA ILE 92 HA ILE 92 -0.050 18.626 -23.087 718 HB ILE 92 HB ILE 92 -0.759 20.572 -21.692 719 HG12 ILE 92 2HG1 ILE 92 -2.200 19.151 -23.443 720 HG13 ILE 92 3HG1 ILE 92 -2.902 20.446 -22.480 721 HG21 ILE 92 1HG2 ILE 92 -0.317 22.065 -24.269 722 HG22 ILE 92 2HG2 ILE 92 -1.275 22.689 -22.927 723 HG23 ILE 92 3HG2 ILE 92 0.443 22.362 -22.706 724 HD11 ILE 92 1HD1 ILE 92 -3.006 21.894 -24.270 725 HD12 ILE 92 2HD1 ILE 92 -1.761 21.032 -25.174 726 HD13 ILE 92 3HD1 ILE 92 -3.375 20.339 -25.014 727 H GLY 93 H GLY 93 -1.071 18.411 -25.089 728 HA2 GLY 93 2HA GLY 93 -1.484 19.077 -27.347 729 HA3 GLY 93 3HA GLY 93 -0.008 20.029 -27.301 730 H GLU 94 H GLU 94 -1.208 16.692 -27.252 731 HA GLU 94 HA GLU 94 -0.346 14.752 -28.069 732 HB2 GLU 94 2HB GLU 94 -0.236 16.455 -30.102 733 HB3 GLU 94 3HB GLU 94 1.495 16.231 -29.890 734 HG2 GLU 94 2HG GLU 94 1.438 14.044 -30.544 735 HG3 GLU 94 3HG GLU 94 -0.236 13.821 -30.039 736 H THR 95 H THR 95 1.838 13.601 -28.590 737 HA THR 95 HA THR 95 3.378 13.521 -26.309 738 HB THR 95 HB THR 95 3.466 11.701 -27.880 739 HG1 THR 95 HG1 THR 95 5.441 11.339 -27.234 740 HG21 THR 95 1HG2 THR 95 3.629 12.015 -30.079 741 HG22 THR 95 2HG2 THR 95 5.227 12.735 -29.883 742 HG23 THR 95 3HG2 THR 95 3.787 13.748 -29.799 743 H SER 96 H SER 96 5.528 14.192 -25.832 744 HA SER 96 HA SER 96 6.949 16.041 -27.458 745 HB2 SER 96 2HB SER 96 4.975 17.104 -25.572 746 HB3 SER 96 3HB SER 96 6.594 17.762 -25.330 747 HG SER 96 HG SER 96 5.190 17.704 -27.798 748 HA PRO 97 HA PRO 97 10.263 14.921 -24.814 749 HB2 PRO 97 2HB PRO 97 11.763 17.183 -24.727 750 HB3 PRO 97 3HB PRO 97 11.649 16.161 -26.164 751 HG2 PRO 97 2HG PRO 97 10.206 18.706 -25.530 752 HG3 PRO 97 3HG PRO 97 10.952 18.193 -27.055 753 HD2 PRO 97 2HD PRO 97 8.286 18.030 -26.610 754 HD3 PRO 97 3HD PRO 97 9.156 16.869 -27.634 755 H SER 98 H SER 98 8.248 17.578 -23.927 756 HA SER 98 HA SER 98 9.412 17.823 -21.271 757 HB2 SER 98 2HB SER 98 7.627 19.423 -22.949 758 HB3 SER 98 3HB SER 98 7.100 19.336 -21.268 759 HG SER 98 HG SER 98 8.523 20.892 -21.073 760 H ALA 99 H ALA 99 6.898 16.125 -22.856 761 HA ALA 99 HA ALA 99 5.342 15.676 -20.450 762 HB1 ALA 99 1HB ALA 99 4.983 15.239 -23.312 763 HB2 ALA 99 2HB ALA 99 4.380 13.914 -22.316 764 HB3 ALA 99 3HB ALA 99 3.789 15.554 -22.052 765 H LEU 100 H LEU 100 7.585 13.905 -22.520 766 HA LEU 100 HA LEU 100 7.325 11.485 -20.950 767 HB2 LEU 100 2HB LEU 100 7.645 11.190 -23.287 768 HB3 LEU 100 3HB LEU 100 9.051 12.253 -23.291 769 HG LEU 100 HG LEU 100 10.304 10.573 -22.004 770 HD11 LEU 100 1HD1 LEU 100 8.094 8.621 -22.502 771 HD12 LEU 100 2HD1 LEU 100 8.113 9.602 -21.038 772 HD13 LEU 100 3HD1 LEU 100 9.454 8.511 -21.385 773 HD21 LEU 100 1HD2 LEU 100 9.679 8.744 -24.036 774 HD22 LEU 100 2HD2 LEU 100 10.965 9.951 -24.029 775 HD23 LEU 100 3HD2 LEU 100 9.388 10.346 -24.713 776 H SER 101 H SER 101 9.272 14.309 -20.981 777 HA SER 101 HA SER 101 11.669 13.386 -19.902 778 HB2 SER 101 2HB SER 101 11.713 15.618 -20.591 779 HB3 SER 101 3HB SER 101 10.213 16.009 -19.750 780 HG SER 101 HG SER 101 12.817 15.870 -18.784 781 H ASP 102 H ASP 102 8.561 13.498 -18.516 782 HA ASP 102 HA ASP 102 9.429 13.637 -15.770 783 HB2 ASP 102 2HB ASP 102 7.191 13.661 -15.201 784 HB3 ASP 102 3HB ASP 102 7.121 14.317 -16.834 785 H PHE 103 H PHE 103 8.953 11.182 -18.143 786 HA PHE 103 HA PHE 103 8.428 8.958 -16.543 787 HB2 PHE 103 2HB PHE 103 8.494 7.905 -18.517 788 HB3 PHE 103 3HB PHE 103 8.979 9.431 -19.249 789 HD1 PHE 103 HD1 PHE 103 10.211 6.259 -17.838 790 HD2 PHE 103 HD2 PHE 103 11.188 9.773 -20.031 791 HE1 PHE 103 HE1 PHE 103 12.371 5.262 -18.468 792 HE2 PHE 103 HE2 PHE 103 13.348 8.782 -20.665 793 HZ PHE 103 HZ PHE 103 13.942 6.523 -19.884 794 H LEU 104 H LEU 104 11.372 10.725 -17.089 795 HA LEU 104 HA LEU 104 13.187 8.752 -16.169 796 HB2 LEU 104 2HB LEU 104 14.812 10.336 -16.408 797 HB3 LEU 104 3HB LEU 104 13.566 10.996 -17.466 798 HG LEU 104 HG LEU 104 12.911 12.299 -15.243 799 HD11 LEU 104 1HD1 LEU 104 15.617 12.816 -14.653 800 HD12 LEU 104 2HD1 LEU 104 15.399 11.068 -14.578 801 HD13 LEU 104 3HD1 LEU 104 14.384 12.126 -13.598 802 HD21 LEU 104 1HD2 LEU 104 13.850 14.173 -16.206 803 HD22 LEU 104 2HD2 LEU 104 13.758 13.071 -17.580 804 HD23 LEU 104 3HD2 LEU 104 15.291 13.308 -16.740 805 H THR 105 H THR 105 10.905 10.668 -14.562 806 HA THR 105 HA THR 105 12.172 10.049 -11.974 807 HB THR 105 HB THR 105 10.341 12.283 -11.788 808 HG1 THR 105 HG1 THR 105 11.350 12.470 -14.014 809 HG21 THR 105 1HG2 THR 105 12.438 11.358 -10.379 810 HG22 THR 105 2HG2 THR 105 11.863 13.022 -10.276 811 HG23 THR 105 3HG2 THR 105 13.238 12.626 -11.306 812 H ARG 106 H ARG 106 9.772 9.177 -13.930 813 HA ARG 106 HA ARG 106 7.408 9.320 -12.465 814 HB2 ARG 106 2HB ARG 106 8.447 7.660 -14.669 815 HB3 ARG 106 3HB ARG 106 7.154 6.923 -13.731 816 HG2 ARG 106 2HG ARG 106 5.726 8.847 -14.164 817 HG3 ARG 106 3HG ARG 106 7.027 9.614 -15.077 818 HD2 ARG 106 2HD ARG 106 6.308 8.576 -16.903 819 HD3 ARG 106 3HD ARG 106 6.710 7.033 -16.149 820 HE ARG 106 HE ARG 106 4.141 8.116 -15.399 821 HH11 ARG 106 1HH1 ARG 106 5.898 6.087 -17.616 822 HH12 ARG 106 2HH1 ARG 106 4.506 5.165 -18.080 823 HH21 ARG 106 1HH2 ARG 106 2.301 6.910 -16.001 824 HH22 ARG 106 2HH2 ARG 106 2.460 5.635 -17.161 Start of MODEL 7 1 H GLN 1 H GLN 1 5.777 -1.539 -2.643 2 HA GLN 1 HA GLN 1 5.460 0.881 -3.569 3 HB2 GLN 1 2HB GLN 1 7.007 1.188 -5.535 4 HB3 GLN 1 3HB GLN 1 7.765 1.332 -3.954 5 HG2 GLN 1 2HG GLN 1 7.790 -1.310 -5.319 6 HG3 GLN 1 3HG GLN 1 8.883 -0.047 -5.880 7 HE21 GLN 1 1HE2 GLN 1 9.239 -2.664 -4.415 8 HE22 GLN 1 2HE2 GLN 1 10.237 -2.259 -3.064 9 H ALA 2 H ALA 2 4.389 1.090 -5.621 10 HA ALA 2 HA ALA 2 4.160 -0.974 -7.508 11 HB1 ALA 2 1HB ALA 2 2.603 -2.364 -6.742 12 HB2 ALA 2 2HB ALA 2 2.818 -1.606 -5.163 13 HB3 ALA 2 3HB ALA 2 1.555 -1.032 -6.253 14 H ALA 3 H ALA 3 1.695 -0.708 -8.527 15 HA ALA 3 HA ALA 3 1.520 2.175 -9.086 16 HB1 ALA 3 1HB ALA 3 1.887 0.131 -10.845 17 HB2 ALA 3 2HB ALA 3 0.139 0.355 -10.920 18 HB3 ALA 3 3HB ALA 3 1.217 1.709 -11.258 19 H SER 4 H SER 4 -0.800 2.726 -9.973 20 HA SER 4 HA SER 4 -3.035 1.373 -8.911 21 HB2 SER 4 2HB SER 4 -1.638 3.112 -7.071 22 HB3 SER 4 3HB SER 4 -3.273 3.704 -7.363 23 HG SER 4 HG SER 4 -2.743 1.929 -5.676 24 H VAL 5 H VAL 5 -3.701 1.826 -11.047 25 HA VAL 5 HA VAL 5 -3.884 4.451 -12.102 26 HB VAL 5 HB VAL 5 -5.332 1.918 -12.878 27 HG11 VAL 5 1HG1 VAL 5 -6.722 3.322 -13.952 28 HG12 VAL 5 2HG1 VAL 5 -5.607 4.684 -13.828 29 HG13 VAL 5 3HG1 VAL 5 -5.387 3.476 -15.094 30 HG21 VAL 5 1HG2 VAL 5 -3.362 1.369 -13.754 31 HG22 VAL 5 2HG2 VAL 5 -3.563 2.710 -14.880 32 HG23 VAL 5 3HG2 VAL 5 -2.683 2.951 -13.371 33 H GLU 6 H GLU 6 -5.541 5.904 -12.137 34 HA GLU 6 HA GLU 6 -7.930 5.235 -10.546 35 HB2 GLU 6 2HB GLU 6 -6.022 7.434 -10.270 36 HB3 GLU 6 3HB GLU 6 -7.691 7.978 -10.360 37 HG2 GLU 6 2HG GLU 6 -7.681 7.635 -8.154 38 HG3 GLU 6 3HG GLU 6 -7.917 5.944 -8.593 39 HA PRO 7 HA PRO 7 -10.169 6.324 -14.195 40 HB2 PRO 7 2HB PRO 7 -12.629 6.523 -13.064 41 HB3 PRO 7 3HB PRO 7 -11.838 4.974 -13.376 42 HG2 PRO 7 2HG PRO 7 -12.022 6.526 -10.824 43 HG3 PRO 7 3HG PRO 7 -12.214 4.784 -11.089 44 HD2 PRO 7 2HD PRO 7 -9.926 5.867 -10.129 45 HD3 PRO 7 3HD PRO 7 -9.939 4.415 -11.150 46 H TYR 8 H TYR 8 -11.052 8.127 -15.181 47 HA TYR 8 HA TYR 8 -10.298 10.599 -14.772 48 HB2 TYR 8 2HB TYR 8 -12.664 11.382 -15.510 49 HB3 TYR 8 3HB TYR 8 -11.732 10.354 -16.592 50 HD1 TYR 8 HD1 TYR 8 -12.624 8.334 -17.363 51 HD2 TYR 8 HD2 TYR 8 -14.408 10.253 -14.011 52 HE1 TYR 8 HE1 TYR 8 -14.478 6.719 -17.433 53 HE2 TYR 8 HE2 TYR 8 -16.266 8.643 -14.071 54 HH TYR 8 HH TYR 8 -16.793 6.468 -14.896 55 H SER 9 H SER 9 -10.460 12.243 -13.365 56 HA SER 9 HA SER 9 -12.601 12.806 -11.674 57 HB2 SER 9 2HB SER 9 -10.682 10.814 -10.625 58 HB3 SER 9 3HB SER 9 -11.097 12.126 -9.523 59 HG SER 9 HG SER 9 -12.477 10.108 -9.626 60 H ASP 10 H ASP 10 -12.054 14.880 -12.351 61 HA ASP 10 HA ASP 10 -9.550 16.081 -12.212 62 HB2 ASP 10 2HB ASP 10 -10.675 18.177 -12.437 63 HB3 ASP 10 3HB ASP 10 -11.611 16.994 -13.346 64 H ALA 11 H ALA 11 -11.820 15.359 -9.705 65 HA ALA 11 HA ALA 11 -10.653 17.170 -7.781 66 HB1 ALA 11 1HB ALA 11 -12.906 16.857 -7.370 67 HB2 ALA 11 2HB ALA 11 -12.832 15.125 -7.699 68 HB3 ALA 11 3HB ALA 11 -12.159 15.767 -6.200 69 H ALA 12 H ALA 12 -10.017 14.022 -8.932 70 HA ALA 12 HA ALA 12 -8.679 13.132 -6.514 71 HB1 ALA 12 1HB ALA 12 -8.894 11.841 -9.231 72 HB2 ALA 12 2HB ALA 12 -8.189 11.097 -7.795 73 HB3 ALA 12 3HB ALA 12 -9.906 11.498 -7.827 74 H PHE 13 H PHE 13 -7.853 14.312 -9.729 75 HA PHE 13 HA PHE 13 -5.175 13.757 -9.885 76 HB2 PHE 13 2HB PHE 13 -6.236 14.827 -11.731 77 HB3 PHE 13 3HB PHE 13 -6.692 16.217 -10.752 78 HD1 PHE 13 HD1 PHE 13 -3.417 14.480 -11.039 79 HD2 PHE 13 HD2 PHE 13 -5.654 18.033 -11.741 80 HE1 PHE 13 HE1 PHE 13 -1.358 15.636 -11.731 81 HE2 PHE 13 HE2 PHE 13 -3.599 19.194 -12.434 82 HZ PHE 13 HZ PHE 13 -1.448 17.996 -12.430 83 H THR 14 H THR 14 -6.765 16.189 -7.926 84 HA THR 14 HA THR 14 -4.283 17.414 -7.096 85 HB THR 14 HB THR 14 -5.888 18.554 -5.397 86 HG1 THR 14 HG1 THR 14 -7.549 16.819 -6.264 87 HG21 THR 14 1HG2 THR 14 -4.992 19.263 -7.840 88 HG22 THR 14 2HG2 THR 14 -6.039 20.283 -6.853 89 HG23 THR 14 3HG2 THR 14 -6.731 19.285 -8.131 90 H GLN 15 H GLN 15 -6.678 15.202 -5.737 91 HA GLN 15 HA GLN 15 -5.583 15.088 -3.134 92 HB2 GLN 15 2HB GLN 15 -7.161 12.934 -4.546 93 HB3 GLN 15 3HB GLN 15 -6.977 13.141 -2.810 94 HG2 GLN 15 2HG GLN 15 -8.032 15.527 -4.038 95 HG3 GLN 15 3HG GLN 15 -9.023 14.118 -4.411 96 HE21 GLN 15 1HE2 GLN 15 -10.695 15.018 -3.146 97 HE22 GLN 15 2HE2 GLN 15 -10.650 14.936 -1.421 98 H ALA 16 H ALA 16 -4.759 13.529 -6.122 99 HA ALA 16 HA ALA 16 -3.215 11.415 -4.964 100 HB1 ALA 16 1HB ALA 16 -2.300 11.266 -7.352 101 HB2 ALA 16 2HB ALA 16 -4.019 10.953 -7.108 102 HB3 ALA 16 3HB ALA 16 -3.488 12.510 -7.743 103 H GLN 17 H GLN 17 -2.572 14.684 -6.044 104 HA GLN 17 HA GLN 17 0.300 14.360 -5.757 105 HB2 GLN 17 2HB GLN 17 0.392 16.744 -6.424 106 HB3 GLN 17 3HB GLN 17 -0.479 15.746 -7.580 107 HG2 GLN 17 2HG GLN 17 -2.600 16.524 -6.661 108 HG3 GLN 17 3HG GLN 17 -1.731 17.518 -5.494 109 HE21 GLN 17 1HE2 GLN 17 -2.606 17.115 -8.833 110 HE22 GLN 17 2HE2 GLN 17 -2.173 18.706 -9.349 111 H ALA 18 H ALA 18 -2.401 15.479 -3.920 112 HA ALA 18 HA ALA 18 -0.804 16.989 -2.039 113 HB1 ALA 18 1HB ALA 18 -2.809 17.983 -1.941 114 HB2 ALA 18 2HB ALA 18 -3.655 16.555 -2.540 115 HB3 ALA 18 3HB ALA 18 -3.229 16.676 -0.833 116 H SER 19 H SER 19 -0.989 13.822 -2.584 117 HA SER 19 HA SER 19 -1.123 13.028 0.238 118 HB2 SER 19 2HB SER 19 -2.397 11.849 -1.747 119 HB3 SER 19 3HB SER 19 -0.844 11.048 -1.990 120 HG SER 19 HG SER 19 -2.000 9.795 -0.581 121 H GLY 20 H GLY 20 1.073 13.600 -2.315 122 HA2 GLY 20 2HA GLY 20 3.393 13.674 -2.185 123 HA3 GLY 20 3HA GLY 20 3.301 12.904 -0.607 124 H ALA 21 H ALA 21 1.722 11.567 -3.419 125 HA ALA 21 HA ALA 21 3.760 9.439 -3.501 126 HB1 ALA 21 1HB ALA 21 1.150 9.137 -2.665 127 HB2 ALA 21 2HB ALA 21 1.113 8.583 -4.340 128 HB3 ALA 21 3HB ALA 21 2.231 7.846 -3.192 129 HA PRO 22 HA PRO 22 4.081 9.993 -7.841 130 HB2 PRO 22 2HB PRO 22 4.356 7.444 -8.735 131 HB3 PRO 22 3HB PRO 22 5.627 8.293 -7.847 132 HG2 PRO 22 2HG PRO 22 3.630 6.298 -6.851 133 HG3 PRO 22 3HG PRO 22 5.361 6.426 -6.487 134 HD2 PRO 22 2HD PRO 22 3.447 7.324 -4.796 135 HD3 PRO 22 3HD PRO 22 5.039 8.097 -4.933 136 H VAL 23 H VAL 23 2.636 10.436 -9.380 137 HA VAL 23 HA VAL 23 0.564 8.546 -10.089 138 HB VAL 23 HB VAL 23 -1.118 10.590 -9.921 139 HG11 VAL 23 1HG1 VAL 23 -0.605 8.246 -8.428 140 HG12 VAL 23 2HG1 VAL 23 -1.046 9.514 -7.283 141 HG13 VAL 23 3HG1 VAL 23 -2.130 9.110 -8.614 142 HG21 VAL 23 1HG2 VAL 23 0.922 11.873 -8.845 143 HG22 VAL 23 2HG2 VAL 23 -0.729 12.143 -8.287 144 HG23 VAL 23 3HG2 VAL 23 0.346 11.081 -7.378 145 H LEU 24 H LEU 24 0.258 8.607 -12.219 146 HA LEU 24 HA LEU 24 1.309 10.903 -13.709 147 HB2 LEU 24 2HB LEU 24 1.927 8.376 -14.080 148 HB3 LEU 24 3HB LEU 24 0.435 8.371 -15.017 149 HG LEU 24 HG LEU 24 2.330 10.528 -15.675 150 HD11 LEU 24 1HD1 LEU 24 3.797 8.543 -15.205 151 HD12 LEU 24 2HD1 LEU 24 3.884 9.176 -16.848 152 HD13 LEU 24 3HD1 LEU 24 2.962 7.710 -16.517 153 HD21 LEU 24 1HD2 LEU 24 1.697 9.795 -17.969 154 HD22 LEU 24 2HD2 LEU 24 0.326 10.256 -16.960 155 HD23 LEU 24 3HD2 LEU 24 0.680 8.551 -17.242 156 H VAL 25 H VAL 25 0.116 11.866 -15.394 157 HA VAL 25 HA VAL 25 -2.791 11.391 -15.253 158 HB VAL 25 HB VAL 25 -1.348 14.013 -15.667 159 HG11 VAL 25 1HG1 VAL 25 -3.182 14.343 -16.991 160 HG12 VAL 25 2HG1 VAL 25 -4.178 13.197 -16.091 161 HG13 VAL 25 3HG1 VAL 25 -3.854 14.799 -15.426 162 HG21 VAL 25 1HG2 VAL 25 -1.400 14.093 -13.440 163 HG22 VAL 25 2HG2 VAL 25 -3.153 14.241 -13.572 164 HG23 VAL 25 3HG2 VAL 25 -2.417 12.655 -13.341 165 H ASP 26 H ASP 26 -3.819 10.990 -17.113 166 HA ASP 26 HA ASP 26 -2.614 11.789 -19.649 167 HB2 ASP 26 2HB ASP 26 -2.426 9.145 -18.654 168 HB3 ASP 26 3HB ASP 26 -3.614 9.117 -19.954 169 H VAL 27 H VAL 27 -4.164 12.908 -20.618 170 HA VAL 27 HA VAL 27 -6.966 12.219 -20.157 171 HB VAL 27 HB VAL 27 -6.097 14.539 -21.838 172 HG11 VAL 27 1HG1 VAL 27 -8.150 15.458 -21.275 173 HG12 VAL 27 2HG1 VAL 27 -8.520 13.737 -21.396 174 HG13 VAL 27 3HG1 VAL 27 -8.300 14.483 -19.813 175 HG21 VAL 27 1HG2 VAL 27 -5.626 14.177 -18.941 176 HG22 VAL 27 2HG2 VAL 27 -4.765 15.172 -20.116 177 HG23 VAL 27 3HG2 VAL 27 -6.299 15.727 -19.446 178 H TYR 28 H TYR 28 -8.145 11.141 -21.593 179 HA TYR 28 HA TYR 28 -7.152 10.957 -24.362 180 HB2 TYR 28 2HB TYR 28 -8.365 8.872 -22.570 181 HB3 TYR 28 3HB TYR 28 -8.456 8.713 -24.321 182 HD1 TYR 28 HD1 TYR 28 -5.793 9.705 -21.881 183 HD2 TYR 28 HD2 TYR 28 -6.908 7.237 -25.163 184 HE1 TYR 28 HE1 TYR 28 -3.537 8.726 -21.904 185 HE2 TYR 28 HE2 TYR 28 -4.656 6.251 -25.194 186 HH TYR 28 HH TYR 28 -2.655 6.199 -24.242 187 H ALA 29 H ALA 29 -8.797 10.627 -26.009 188 HA ALA 29 HA ALA 29 -11.443 11.667 -25.236 189 HB1 ALA 29 1HB ALA 29 -11.409 13.320 -26.769 190 HB2 ALA 29 2HB ALA 29 -9.662 13.174 -26.577 191 HB3 ALA 29 3HB ALA 29 -10.470 12.377 -27.927 192 H ASP 30 H ASP 30 -13.042 11.345 -27.129 193 HA ASP 30 HA ASP 30 -13.410 8.619 -27.542 194 HB2 ASP 30 2HB ASP 30 -14.767 11.041 -28.231 195 HB3 ASP 30 3HB ASP 30 -14.717 10.001 -29.652 196 H TRP 31 H TRP 31 -11.709 10.993 -29.464 197 HA TRP 31 HA TRP 31 -10.217 9.053 -30.856 198 HB2 TRP 31 2HB TRP 31 -12.535 8.897 -31.969 199 HB3 TRP 31 3HB TRP 31 -12.159 10.470 -32.669 200 HD1 TRP 31 HD1 TRP 31 -10.680 6.886 -32.598 201 HE1 TRP 31 HE1 TRP 31 -9.473 6.484 -34.836 202 HE3 TRP 31 HE3 TRP 31 -11.253 11.523 -34.675 203 HZ2 TRP 31 HZ2 TRP 31 -8.847 7.939 -37.172 204 HZ3 TRP 31 HZ3 TRP 31 -10.321 11.935 -36.914 205 HH2 TRP 31 HH2 TRP 31 -9.142 10.180 -38.135 206 H CYS 32 H CYS 32 -9.263 11.079 -29.504 207 HA CYS 32 HA CYS 32 -8.863 13.399 -31.198 208 HB2 CYS 32 2HB CYS 32 -7.562 14.284 -29.311 209 HB3 CYS 32 3HB CYS 32 -9.143 13.718 -28.787 210 HG CYS 32 HG CYS 32 -7.152 13.132 -26.854 211 HA PRO 33 HA PRO 33 -5.064 12.209 -33.038 212 HB2 PRO 33 2HB PRO 33 -3.737 14.576 -33.127 213 HB3 PRO 33 3HB PRO 33 -5.116 14.207 -34.170 214 HG2 PRO 33 2HG PRO 33 -5.030 15.796 -31.634 215 HG3 PRO 33 3HG PRO 33 -5.889 16.146 -33.145 216 HD2 PRO 33 2HD PRO 33 -7.124 15.092 -30.978 217 HD3 PRO 33 3HD PRO 33 -7.622 14.712 -32.640 218 H VAL 34 H VAL 34 -5.211 13.287 -29.844 219 HA VAL 34 HA VAL 34 -2.392 13.280 -29.280 220 HB VAL 34 HB VAL 34 -4.621 13.031 -27.264 221 HG11 VAL 34 1HG1 VAL 34 -2.016 12.786 -26.815 222 HG12 VAL 34 2HG1 VAL 34 -2.116 14.547 -26.786 223 HG13 VAL 34 3HG1 VAL 34 -3.092 13.589 -25.672 224 HG21 VAL 34 1HG2 VAL 34 -4.652 15.460 -27.131 225 HG22 VAL 34 2HG2 VAL 34 -3.464 15.563 -28.431 226 HG23 VAL 34 3HG2 VAL 34 -5.076 14.926 -28.757 227 H CYS 35 H CYS 35 -5.069 11.162 -28.232 228 HA CYS 35 HA CYS 35 -3.318 9.137 -27.268 229 HB2 CYS 35 2HB CYS 35 -5.312 7.831 -26.890 230 HB3 CYS 35 3HB CYS 35 -5.640 9.498 -26.434 231 HG CYS 35 HG CYS 35 -7.948 9.117 -27.602 232 H LYS 36 H LYS 36 -4.689 9.871 -30.349 233 HA LYS 36 HA LYS 36 -4.357 7.240 -31.460 234 HB2 LYS 36 2HB LYS 36 -6.065 8.650 -32.395 235 HB3 LYS 36 3HB LYS 36 -4.905 9.932 -32.716 236 HG2 LYS 36 2HG LYS 36 -4.352 7.327 -33.985 237 HG3 LYS 36 3HG LYS 36 -5.760 8.211 -34.577 238 HD2 LYS 36 2HD LYS 36 -3.982 10.214 -34.519 239 HD3 LYS 36 3HD LYS 36 -2.879 8.860 -34.780 240 HE2 LYS 36 2HE LYS 36 -5.260 8.759 -36.464 241 HE3 LYS 36 3HE LYS 36 -4.280 10.200 -36.729 242 HZ1 LYS 36 1HZ LYS 36 -2.360 8.792 -37.100 243 HZ2 LYS 36 2HZ LYS 36 -3.604 8.377 -38.167 244 HZ3 LYS 36 3HZ LYS 36 -3.285 7.403 -36.821 245 H ARG 37 H ARG 37 -2.500 10.219 -31.350 246 HA ARG 37 HA ARG 37 -0.463 9.142 -33.125 247 HB2 ARG 37 2HB ARG 37 -1.119 11.524 -33.278 248 HB3 ARG 37 3HB ARG 37 -0.543 11.771 -31.635 249 HG2 ARG 37 2HG ARG 37 1.418 10.578 -33.463 250 HG3 ARG 37 3HG ARG 37 0.921 12.224 -33.861 251 HD2 ARG 37 2HD ARG 37 1.689 13.075 -31.830 252 HD3 ARG 37 3HD ARG 37 1.709 11.486 -31.066 253 HE ARG 37 HE ARG 37 3.806 11.130 -31.926 254 HH11 ARG 37 1HH1 ARG 37 2.361 13.882 -33.496 255 HH12 ARG 37 2HH1 ARG 37 3.819 14.348 -34.309 256 HH21 ARG 37 1HH2 ARG 37 5.731 11.734 -32.991 257 HH22 ARG 37 2HH2 ARG 37 5.734 13.125 -34.021 258 H GLN 38 H GLN 38 -1.110 9.440 -29.758 259 HA GLN 38 HA GLN 38 1.638 9.147 -28.926 260 HB2 GLN 38 2HB GLN 38 0.155 10.397 -27.494 261 HB3 GLN 38 3HB GLN 38 -0.966 9.046 -27.399 262 HG2 GLN 38 2HG GLN 38 0.177 8.063 -25.759 263 HG3 GLN 38 3HG GLN 38 1.731 8.368 -26.533 264 HE21 GLN 38 1HE2 GLN 38 2.290 10.813 -26.523 265 HE22 GLN 38 2HE2 GLN 38 2.110 11.594 -24.993 266 H GLU 39 H GLU 39 -0.951 7.079 -29.810 267 HA GLU 39 HA GLU 39 -0.433 4.788 -28.322 268 HB2 GLU 39 2HB GLU 39 -1.665 3.586 -29.952 269 HB3 GLU 39 3HB GLU 39 -2.364 5.199 -29.906 270 HG2 GLU 39 2HG GLU 39 -0.828 5.726 -31.876 271 HG3 GLU 39 3HG GLU 39 -0.605 3.982 -32.003 272 H ARG 40 H ARG 40 1.378 6.229 -30.877 273 HA ARG 40 HA ARG 40 2.860 3.848 -31.545 274 HB2 ARG 40 2HB ARG 40 2.615 5.392 -33.319 275 HB3 ARG 40 3HB ARG 40 3.108 6.748 -32.314 276 HG2 ARG 40 2HG ARG 40 5.111 4.618 -32.632 277 HG3 ARG 40 3HG ARG 40 4.710 5.520 -34.095 278 HD2 ARG 40 2HD ARG 40 4.991 7.589 -32.492 279 HD3 ARG 40 3HD ARG 40 5.972 6.456 -31.564 280 HE ARG 40 HE ARG 40 6.655 7.694 -34.055 281 HH11 ARG 40 1HH1 ARG 40 7.164 4.900 -32.041 282 HH12 ARG 40 2HH1 ARG 40 8.718 4.535 -32.716 283 HH21 ARG 40 1HH2 ARG 40 8.700 7.223 -34.951 284 HH22 ARG 40 2HH2 ARG 40 9.590 5.858 -34.370 285 H GLU 41 H GLU 41 3.262 6.640 -29.466 286 HA GLU 41 HA GLU 41 6.014 6.015 -28.847 287 HB2 GLU 41 2HB GLU 41 4.059 8.078 -27.866 288 HB3 GLU 41 3HB GLU 41 5.604 7.837 -27.063 289 HG2 GLU 41 2HG GLU 41 5.574 8.252 -30.007 290 HG3 GLU 41 3HG GLU 41 5.312 9.635 -28.947 291 H LEU 42 H LEU 42 3.134 4.684 -27.968 292 HA LEU 42 HA LEU 42 3.285 4.369 -25.198 293 HB2 LEU 42 2HB LEU 42 1.491 3.061 -25.457 294 HB3 LEU 42 3HB LEU 42 1.564 3.577 -27.141 295 HG LEU 42 HG LEU 42 2.780 1.031 -26.072 296 HD11 LEU 42 1HD1 LEU 42 0.077 1.690 -27.058 297 HD12 LEU 42 2HD1 LEU 42 0.608 0.427 -25.948 298 HD13 LEU 42 3HD1 LEU 42 0.807 0.213 -27.687 299 HD21 LEU 42 1HD2 LEU 42 3.684 0.728 -28.085 300 HD22 LEU 42 2HD2 LEU 42 3.354 2.434 -28.384 301 HD23 LEU 42 3HD2 LEU 42 2.200 1.207 -28.909 302 H THR 43 H THR 43 5.279 3.109 -27.648 303 HA THR 43 HA THR 43 6.140 0.768 -26.197 304 HB THR 43 HB THR 43 8.051 1.413 -28.179 305 HG1 THR 43 HG1 THR 43 5.395 1.646 -29.181 306 HG21 THR 43 1HG2 THR 43 5.881 -0.441 -28.904 307 HG22 THR 43 2HG2 THR 43 6.668 -0.771 -27.361 308 HG23 THR 43 3HG2 THR 43 7.623 -0.703 -28.842 309 HA PRO 44 HA PRO 44 10.171 3.349 -25.638 310 HB2 PRO 44 2HB PRO 44 10.150 5.932 -26.473 311 HB3 PRO 44 3HB PRO 44 10.607 4.586 -27.524 312 HG2 PRO 44 2HG PRO 44 7.996 6.039 -27.334 313 HG3 PRO 44 3HG PRO 44 8.881 5.511 -28.778 314 HD2 PRO 44 2HD PRO 44 6.768 4.141 -27.782 315 HD3 PRO 44 3HD PRO 44 8.124 3.341 -28.602 316 H LEU 45 H LEU 45 7.065 4.901 -25.244 317 HA LEU 45 HA LEU 45 7.879 6.585 -23.067 318 HB2 LEU 45 2HB LEU 45 6.023 7.216 -24.500 319 HB3 LEU 45 3HB LEU 45 5.144 5.762 -24.032 320 HG LEU 45 HG LEU 45 5.868 7.425 -21.752 321 HD11 LEU 45 1HD1 LEU 45 3.722 8.633 -23.406 322 HD12 LEU 45 2HD1 LEU 45 5.394 9.006 -23.824 323 HD13 LEU 45 3HD1 LEU 45 4.787 9.373 -22.209 324 HD21 LEU 45 1HD2 LEU 45 4.274 5.928 -21.175 325 HD22 LEU 45 2HD2 LEU 45 3.579 5.875 -22.796 326 HD23 LEU 45 3HD2 LEU 45 3.197 7.216 -21.715 327 H PHE 46 H PHE 46 6.740 3.338 -23.420 328 HA PHE 46 HA PHE 46 6.462 3.105 -20.498 329 HB2 PHE 46 2HB PHE 46 4.632 1.859 -20.831 330 HB3 PHE 46 3HB PHE 46 4.732 2.279 -22.538 331 HD1 PHE 46 HD1 PHE 46 4.820 -0.347 -20.157 332 HD2 PHE 46 HD2 PHE 46 6.198 0.780 -24.023 333 HE1 PHE 46 HE1 PHE 46 5.194 -2.716 -20.711 334 HE2 PHE 46 HE2 PHE 46 6.572 -1.586 -24.584 335 HZ PHE 46 HZ PHE 46 6.070 -3.337 -22.927 336 H ALA 47 H ALA 47 8.623 2.592 -22.895 337 HA ALA 47 HA ALA 47 9.565 -0.018 -22.479 338 HB1 ALA 47 1HB ALA 47 10.250 2.090 -24.113 339 HB2 ALA 47 2HB ALA 47 11.668 1.899 -23.082 340 HB3 ALA 47 3HB ALA 47 11.075 0.533 -24.027 341 H GLN 48 H GLN 48 9.684 2.723 -20.464 342 HA GLN 48 HA GLN 48 11.891 1.596 -18.886 343 HB2 GLN 48 2HB GLN 48 10.641 4.307 -18.489 344 HB3 GLN 48 3HB GLN 48 12.205 3.738 -17.921 345 HG2 GLN 48 2HG GLN 48 11.457 4.215 -20.797 346 HG3 GLN 48 3HG GLN 48 12.410 5.301 -19.787 347 HE21 GLN 48 1HE2 GLN 48 14.228 3.920 -18.595 348 HE22 GLN 48 2HE2 GLN 48 15.207 2.998 -19.680 349 HA PRO 49 HA PRO 49 9.131 0.224 -15.752 350 HB2 PRO 49 2HB PRO 49 10.786 0.326 -13.602 351 HB3 PRO 49 3HB PRO 49 10.926 -0.903 -14.865 352 HG2 PRO 49 2HG PRO 49 12.495 1.619 -14.496 353 HG3 PRO 49 3HG PRO 49 13.067 0.001 -14.941 354 HD2 PRO 49 2HD PRO 49 12.699 1.968 -16.764 355 HD3 PRO 49 3HD PRO 49 12.451 0.253 -17.148 356 H ALA 50 H ALA 50 8.114 2.507 -16.209 357 HA ALA 50 HA ALA 50 8.470 4.310 -13.932 358 HB1 ALA 50 1HB ALA 50 8.401 5.673 -15.747 359 HB2 ALA 50 2HB ALA 50 7.360 4.585 -16.666 360 HB3 ALA 50 3HB ALA 50 6.672 5.604 -15.401 361 H GLN 51 H GLN 51 5.961 2.405 -15.554 362 HA GLN 51 HA GLN 51 3.905 3.126 -13.708 363 HB2 GLN 51 2HB GLN 51 3.699 2.227 -16.139 364 HB3 GLN 51 3HB GLN 51 3.840 0.642 -15.391 365 HG2 GLN 51 2HG GLN 51 1.926 1.616 -13.843 366 HG3 GLN 51 3HG GLN 51 1.634 2.615 -15.266 367 HE21 GLN 51 1HE2 GLN 51 0.440 1.793 -16.839 368 HE22 GLN 51 2HE2 GLN 51 0.006 0.130 -17.012 369 H ARG 52 H ARG 52 6.584 1.190 -13.394 370 HA ARG 52 HA ARG 52 5.407 -0.877 -11.761 371 HB2 ARG 52 2HB ARG 52 7.393 -1.345 -13.125 372 HB3 ARG 52 3HB ARG 52 8.304 -0.142 -12.221 373 HG2 ARG 52 2HG ARG 52 7.706 -1.574 -10.159 374 HG3 ARG 52 3HG ARG 52 7.343 -2.831 -11.342 375 HD2 ARG 52 2HD ARG 52 9.926 -1.381 -11.584 376 HD3 ARG 52 3HD ARG 52 9.755 -2.557 -10.282 377 HE ARG 52 HE ARG 52 8.923 -3.609 -12.801 378 HH11 ARG 52 1HH1 ARG 52 11.705 -2.917 -10.826 379 HH12 ARG 52 2HH1 ARG 52 12.694 -4.134 -11.564 380 HH21 ARG 52 1HH2 ARG 52 10.215 -5.214 -13.780 381 HH22 ARG 52 2HH2 ARG 52 11.845 -5.439 -13.244 382 H ASP 53 H ASP 53 6.910 2.226 -11.295 383 HA ASP 53 HA ASP 53 6.537 1.919 -8.389 384 HB2 ASP 53 2HB ASP 53 8.915 2.714 -9.889 385 HB3 ASP 53 3HB ASP 53 8.465 3.884 -8.652 386 H LEU 54 H LEU 54 5.275 3.306 -10.989 387 HA LEU 54 HA LEU 54 4.374 5.651 -9.478 388 HB2 LEU 54 2HB LEU 54 6.198 6.152 -11.223 389 HB3 LEU 54 3HB LEU 54 4.942 5.833 -12.417 390 HG LEU 54 HG LEU 54 3.817 7.680 -10.646 391 HD11 LEU 54 1HD1 LEU 54 6.255 9.047 -11.518 392 HD12 LEU 54 2HD1 LEU 54 6.497 7.875 -10.223 393 HD13 LEU 54 3HD1 LEU 54 5.343 9.192 -10.015 394 HD21 LEU 54 1HD2 LEU 54 3.489 8.910 -12.545 395 HD22 LEU 54 2HD2 LEU 54 3.836 7.334 -13.256 396 HD23 LEU 54 3HD2 LEU 54 5.097 8.565 -13.182 397 H ARG 55 H ARG 55 2.247 6.185 -9.756 398 HA ARG 55 HA ARG 55 0.583 4.186 -11.017 399 HB2 ARG 55 2HB ARG 55 -0.332 6.732 -9.684 400 HB3 ARG 55 3HB ARG 55 -1.256 5.258 -9.942 401 HG2 ARG 55 2HG ARG 55 0.022 4.082 -8.310 402 HG3 ARG 55 3HG ARG 55 1.172 5.413 -8.174 403 HD2 ARG 55 2HD ARG 55 -0.384 6.790 -7.084 404 HD3 ARG 55 3HD ARG 55 -1.745 5.779 -7.568 405 HE ARG 55 HE ARG 55 -1.392 4.520 -5.703 406 HH11 ARG 55 1HH1 ARG 55 1.539 6.246 -6.443 407 HH12 ARG 55 2HH1 ARG 55 2.367 5.714 -5.017 408 HH21 ARG 55 1HH2 ARG 55 -0.314 3.812 -3.822 409 HH22 ARG 55 2HH2 ARG 55 1.312 4.329 -3.527 410 H VAL 56 H VAL 56 -1.438 5.105 -12.207 411 HA VAL 56 HA VAL 56 -0.889 7.407 -13.878 412 HB VAL 56 HB VAL 56 0.303 5.745 -15.142 413 HG11 VAL 56 1HG1 VAL 56 -2.182 4.074 -15.346 414 HG12 VAL 56 2HG1 VAL 56 -0.521 3.640 -15.752 415 HG13 VAL 56 3HG1 VAL 56 -0.997 3.824 -14.064 416 HG21 VAL 56 1HG2 VAL 56 -0.675 6.083 -17.218 417 HG22 VAL 56 2HG2 VAL 56 -2.314 5.942 -16.583 418 HG23 VAL 56 3HG2 VAL 56 -1.362 7.388 -16.251 419 H PHE 57 H PHE 57 -2.751 8.464 -13.705 420 HA PHE 57 HA PHE 57 -5.263 6.939 -13.749 421 HB2 PHE 57 2HB PHE 57 -5.978 8.301 -12.126 422 HB3 PHE 57 3HB PHE 57 -4.371 9.019 -12.081 423 HD1 PHE 57 HD1 PHE 57 -3.910 11.113 -13.230 424 HD2 PHE 57 HD2 PHE 57 -7.813 9.415 -13.200 425 HE1 PHE 57 HE1 PHE 57 -4.847 13.262 -13.977 426 HE2 PHE 57 HE2 PHE 57 -8.756 11.561 -13.947 427 HZ PHE 57 HZ PHE 57 -7.273 13.488 -14.337 428 H LYS 58 H LYS 58 -6.675 7.162 -15.375 429 HA LYS 58 HA LYS 58 -5.973 9.012 -17.537 430 HB2 LYS 58 2HB LYS 58 -6.756 6.325 -17.523 431 HB3 LYS 58 3HB LYS 58 -8.155 7.200 -18.133 432 HG2 LYS 58 2HG LYS 58 -6.963 8.057 -19.960 433 HG3 LYS 58 3HG LYS 58 -5.404 7.645 -19.243 434 HD2 LYS 58 2HD LYS 58 -5.488 5.815 -20.530 435 HD3 LYS 58 3HD LYS 58 -6.671 5.212 -19.367 436 HE2 LYS 58 2HE LYS 58 -8.196 6.786 -21.018 437 HE3 LYS 58 3HE LYS 58 -7.026 6.084 -22.133 438 HZ1 LYS 58 1HZ LYS 58 -8.544 4.432 -22.149 439 HZ2 LYS 58 2HZ LYS 58 -9.145 4.792 -20.610 440 HZ3 LYS 58 3HZ LYS 58 -7.701 3.925 -20.772 441 H VAL 59 H VAL 59 -7.314 10.601 -18.230 442 HA VAL 59 HA VAL 59 -9.919 10.862 -16.877 443 HB VAL 59 HB VAL 59 -8.660 12.526 -15.829 444 HG11 VAL 59 1HG1 VAL 59 -7.471 13.210 -18.516 445 HG12 VAL 59 2HG1 VAL 59 -7.131 14.047 -17.000 446 HG13 VAL 59 3HG1 VAL 59 -6.660 12.359 -17.203 447 HG21 VAL 59 1HG2 VAL 59 -10.784 13.334 -16.864 448 HG22 VAL 59 2HG2 VAL 59 -9.592 14.602 -16.574 449 HG23 VAL 59 3HG2 VAL 59 -9.828 13.970 -18.204 450 H ASN 60 H ASN 60 -11.546 10.838 -18.268 451 HA ASN 60 HA ASN 60 -11.048 11.389 -21.087 452 HB2 ASN 60 2HB ASN 60 -12.534 9.460 -19.874 453 HB3 ASN 60 3HB ASN 60 -13.776 10.655 -20.234 454 HD21 ASN 60 1HD2 ASN 60 -11.237 8.677 -21.633 455 HD22 ASN 60 2HD2 ASN 60 -11.898 8.630 -23.229 456 H PHE 61 H PHE 61 -12.299 12.858 -22.308 457 HA PHE 61 HA PHE 61 -12.709 15.357 -21.147 458 HB2 PHE 61 2HB PHE 61 -13.603 16.049 -23.245 459 HB3 PHE 61 3HB PHE 61 -12.376 14.838 -23.604 460 HD1 PHE 61 HD1 PHE 61 -13.094 12.510 -24.175 461 HD2 PHE 61 HD2 PHE 61 -15.841 15.749 -23.891 462 HE1 PHE 61 HE1 PHE 61 -14.745 11.219 -25.463 463 HE2 PHE 61 HE2 PHE 61 -17.496 14.462 -25.177 464 HZ PHE 61 HZ PHE 61 -16.950 12.194 -25.965 465 H ASP 62 H ASP 62 -14.690 12.593 -21.095 466 HA ASP 62 HA ASP 62 -17.232 13.851 -20.889 467 HB2 ASP 62 2HB ASP 62 -16.362 11.141 -19.860 468 HB3 ASP 62 3HB ASP 62 -18.024 11.678 -20.091 469 H THR 63 H THR 63 -14.606 13.541 -18.745 470 HA THR 63 HA THR 63 -16.310 14.075 -16.410 471 HB THR 63 HB THR 63 -13.368 13.392 -16.386 472 HG1 THR 63 HG1 THR 63 -14.731 11.693 -17.276 473 HG21 THR 63 1HG2 THR 63 -15.401 13.987 -14.350 474 HG22 THR 63 2HG2 THR 63 -13.643 14.097 -14.264 475 HG23 THR 63 3HG2 THR 63 -14.441 12.542 -14.032 476 H GLN 64 H GLN 64 -13.536 15.296 -18.221 477 HA GLN 64 HA GLN 64 -13.431 17.685 -16.549 478 HB2 GLN 64 2HB GLN 64 -11.427 18.251 -17.885 479 HB3 GLN 64 3HB GLN 64 -11.302 16.677 -17.111 480 HG2 GLN 64 2HG GLN 64 -11.498 15.531 -19.104 481 HG3 GLN 64 3HG GLN 64 -12.282 16.882 -19.922 482 HE21 GLN 64 1HE2 GLN 64 -11.079 18.154 -21.157 483 HE22 GLN 64 2HE2 GLN 64 -9.352 18.169 -21.203 484 H LYS 65 H LYS 65 -15.626 16.995 -18.514 485 HA LYS 65 HA LYS 65 -15.521 18.640 -20.763 486 HB2 LYS 65 2HB LYS 65 -17.894 18.401 -20.892 487 HB3 LYS 65 3HB LYS 65 -17.252 16.887 -20.268 488 HG2 LYS 65 2HG LYS 65 -17.826 17.667 -17.974 489 HG3 LYS 65 3HG LYS 65 -18.615 19.068 -18.704 490 HD2 LYS 65 2HD LYS 65 -19.327 16.210 -19.349 491 HD3 LYS 65 3HD LYS 65 -20.155 17.178 -18.127 492 HE2 LYS 65 2HE LYS 65 -20.922 18.728 -19.760 493 HE3 LYS 65 3HE LYS 65 -19.882 18.032 -21.001 494 HZ1 LYS 65 1HZ LYS 65 -21.204 16.109 -21.108 495 HZ2 LYS 65 2HZ LYS 65 -22.300 17.397 -21.091 496 HZ3 LYS 65 3HZ LYS 65 -22.041 16.488 -19.688 497 H ALA 66 H ALA 66 -15.660 19.483 -17.482 498 HA ALA 66 HA ALA 66 -16.974 22.031 -17.869 499 HB1 ALA 66 1HB ALA 66 -17.043 20.575 -15.755 500 HB2 ALA 66 2HB ALA 66 -15.448 21.244 -15.411 501 HB3 ALA 66 3HB ALA 66 -16.840 22.316 -15.559 502 H ALA 67 H ALA 67 -13.922 20.849 -18.472 503 HA ALA 67 HA ALA 67 -12.447 23.232 -17.741 504 HB1 ALA 67 1HB ALA 67 -10.574 22.016 -18.971 505 HB2 ALA 67 2HB ALA 67 -11.201 21.259 -17.506 506 HB3 ALA 67 3HB ALA 67 -11.692 20.657 -19.088 507 H LEU 68 H LEU 68 -13.256 21.553 -20.781 508 HA LEU 68 HA LEU 68 -12.374 23.794 -22.367 509 HB2 LEU 68 2HB LEU 68 -13.503 22.350 -24.211 510 HB3 LEU 68 3HB LEU 68 -11.986 21.829 -23.482 511 HG LEU 68 HG LEU 68 -13.782 20.061 -23.872 512 HD11 LEU 68 1HD1 LEU 68 -13.348 19.542 -21.158 513 HD12 LEU 68 2HD1 LEU 68 -11.957 20.482 -21.696 514 HD13 LEU 68 3HD1 LEU 68 -12.384 18.987 -22.527 515 HD21 LEU 68 1HD2 LEU 68 -15.607 19.908 -22.422 516 HD22 LEU 68 2HD2 LEU 68 -15.578 21.606 -22.899 517 HD23 LEU 68 3HD2 LEU 68 -14.952 21.122 -21.322 518 H GLN 69 H GLN 69 -15.245 22.880 -20.796 519 HA GLN 69 HA GLN 69 -17.001 24.340 -22.588 520 HB2 GLN 69 2HB GLN 69 -17.797 22.282 -21.504 521 HB3 GLN 69 3HB GLN 69 -17.568 23.023 -19.926 522 HG2 GLN 69 2HG GLN 69 -19.520 24.078 -20.024 523 HG3 GLN 69 3HG GLN 69 -19.232 24.634 -21.672 524 HE21 GLN 69 1HE2 GLN 69 -21.109 22.693 -19.749 525 HE22 GLN 69 2HE2 GLN 69 -21.804 21.685 -20.969 526 H GLN 70 H GLN 70 -15.258 24.848 -19.636 527 HA GLN 70 HA GLN 70 -16.717 27.309 -19.056 528 HB2 GLN 70 2HB GLN 70 -16.130 25.739 -17.216 529 HB3 GLN 70 3HB GLN 70 -14.429 26.044 -17.540 530 HG2 GLN 70 2HG GLN 70 -15.091 28.534 -17.175 531 HG3 GLN 70 3HG GLN 70 -16.479 27.841 -16.338 532 HE21 GLN 70 1HE2 GLN 70 -15.167 29.246 -14.705 533 HE22 GLN 70 2HE2 GLN 70 -14.079 28.353 -13.702 534 H PHE 71 H PHE 71 -13.533 26.196 -20.066 535 HA PHE 71 HA PHE 71 -12.630 28.974 -20.320 536 HB2 PHE 71 2HB PHE 71 -11.228 27.173 -19.153 537 HB3 PHE 71 3HB PHE 71 -10.944 26.515 -20.761 538 HD1 PHE 71 HD1 PHE 71 -9.059 27.190 -21.877 539 HD2 PHE 71 HD2 PHE 71 -10.765 29.778 -18.960 540 HE1 PHE 71 HE1 PHE 71 -7.199 28.770 -22.195 541 HE2 PHE 71 HE2 PHE 71 -8.909 31.362 -19.274 542 HZ PHE 71 HZ PHE 71 -7.123 30.859 -20.894 543 H ARG 72 H ARG 72 -14.136 26.675 -22.141 544 HA ARG 72 HA ARG 72 -14.579 26.470 -24.363 545 HB2 ARG 72 2HB ARG 72 -13.007 29.004 -24.803 546 HB3 ARG 72 3HB ARG 72 -14.312 28.355 -25.786 547 HG2 ARG 72 2HG ARG 72 -15.396 28.703 -23.231 548 HG3 ARG 72 3HG ARG 72 -14.430 30.145 -23.549 549 HD2 ARG 72 2HD ARG 72 -16.488 29.018 -25.441 550 HD3 ARG 72 3HD ARG 72 -16.798 30.322 -24.295 551 HE ARG 72 HE ARG 72 -14.664 31.221 -25.693 552 HH11 ARG 72 1HH1 ARG 72 -17.778 29.970 -26.619 553 HH12 ARG 72 2HH1 ARG 72 -17.868 30.909 -28.072 554 HH21 ARG 72 1HH2 ARG 72 -14.771 32.462 -27.603 555 HH22 ARG 72 2HH2 ARG 72 -16.157 32.325 -28.632 556 H VAL 73 H VAL 73 -11.812 25.857 -23.035 557 HA VAL 73 HA VAL 73 -10.694 24.631 -25.378 558 HB VAL 73 HB VAL 73 -9.413 27.051 -24.192 559 HG11 VAL 73 1HG1 VAL 73 -7.237 26.236 -25.231 560 HG12 VAL 73 2HG1 VAL 73 -7.706 25.511 -23.692 561 HG13 VAL 73 3HG1 VAL 73 -7.952 24.625 -25.198 562 HG21 VAL 73 1HG2 VAL 73 -10.177 27.627 -26.248 563 HG22 VAL 73 2HG2 VAL 73 -8.622 26.959 -26.745 564 HG23 VAL 73 3HG2 VAL 73 -10.083 25.978 -26.867 565 H SER 74 H SER 74 -9.788 22.761 -24.808 566 HA SER 74 HA SER 74 -8.033 22.227 -22.781 567 HB2 SER 74 2HB SER 74 -9.452 22.751 -21.014 568 HB3 SER 74 3HB SER 74 -10.883 22.150 -21.852 569 HG SER 74 HG SER 74 -9.060 20.810 -20.283 570 H GLN 75 H GLN 75 -7.415 20.946 -24.596 571 HA GLN 75 HA GLN 75 -9.052 18.786 -25.510 572 HB2 GLN 75 2HB GLN 75 -6.828 20.097 -26.481 573 HB3 GLN 75 3HB GLN 75 -6.182 18.529 -26.014 574 HG2 GLN 75 2HG GLN 75 -7.098 17.530 -27.767 575 HG3 GLN 75 3HG GLN 75 -8.671 18.261 -27.452 576 HE21 GLN 75 1HE2 GLN 75 -9.281 20.068 -28.559 577 HE22 GLN 75 2HE2 GLN 75 -8.374 20.734 -29.870 578 H GLN 76 H GLN 76 -7.367 16.633 -25.679 579 HA GLN 76 HA GLN 76 -7.024 15.874 -22.853 580 HB2 GLN 76 2HB GLN 76 -7.449 13.823 -24.981 581 HB3 GLN 76 3HB GLN 76 -7.877 13.770 -23.276 582 HG2 GLN 76 2HG GLN 76 -9.258 15.467 -25.343 583 HG3 GLN 76 3HG GLN 76 -9.828 13.899 -24.774 584 HE21 GLN 76 1HE2 GLN 76 -9.975 17.199 -24.329 585 HE22 GLN 76 2HE2 GLN 76 -10.713 17.225 -22.767 586 H SER 77 H SER 77 -4.835 16.799 -23.154 587 HA SER 77 HA SER 77 -3.002 14.696 -23.998 588 HB2 SER 77 2HB SER 77 -3.150 16.090 -25.986 589 HB3 SER 77 3HB SER 77 -2.840 17.538 -25.029 590 HG SER 77 HG SER 77 -1.031 15.364 -25.227 591 H THR 78 H THR 78 -3.995 16.347 -21.560 592 HA THR 78 HA THR 78 -1.645 17.654 -20.578 593 HB THR 78 HB THR 78 -4.261 16.887 -19.302 594 HG1 THR 78 HG1 THR 78 -2.995 19.390 -19.821 595 HG21 THR 78 1HG2 THR 78 -3.005 16.701 -17.398 596 HG22 THR 78 2HG2 THR 78 -3.237 18.450 -17.418 597 HG23 THR 78 3HG2 THR 78 -1.728 17.753 -18.008 598 H LEU 79 H LEU 79 0.018 16.819 -19.484 599 HA LEU 79 HA LEU 79 -0.278 14.276 -18.087 600 HB2 LEU 79 2HB LEU 79 0.538 13.282 -19.962 601 HB3 LEU 79 3HB LEU 79 1.373 14.738 -20.501 602 HG LEU 79 HG LEU 79 3.200 14.314 -19.000 603 HD11 LEU 79 1HD1 LEU 79 2.748 11.763 -17.973 604 HD12 LEU 79 2HD1 LEU 79 1.261 12.658 -17.661 605 HD13 LEU 79 3HD1 LEU 79 2.804 13.281 -17.077 606 HD21 LEU 79 1HD2 LEU 79 3.839 11.963 -19.809 607 HD22 LEU 79 2HD2 LEU 79 3.546 13.208 -21.024 608 HD23 LEU 79 3HD2 LEU 79 2.308 11.998 -20.684 609 H ILE 80 H ILE 80 0.435 14.649 -16.103 610 HA ILE 80 HA ILE 80 3.050 15.778 -15.665 611 HB ILE 80 HB ILE 80 1.921 17.861 -15.739 612 HG12 ILE 80 2HG1 ILE 80 2.118 17.014 -12.840 613 HG13 ILE 80 3HG1 ILE 80 3.458 17.575 -13.835 614 HG21 ILE 80 1HG2 ILE 80 -0.123 18.353 -14.534 615 HG22 ILE 80 2HG2 ILE 80 -0.366 16.969 -15.599 616 HG23 ILE 80 3HG2 ILE 80 -0.149 16.721 -13.867 617 HD11 ILE 80 1HD1 ILE 80 1.120 19.133 -12.799 618 HD12 ILE 80 2HD1 ILE 80 2.842 19.417 -12.544 619 HD13 ILE 80 3HD1 ILE 80 2.123 19.720 -14.125 620 H LEU 81 H LEU 81 3.914 14.455 -14.221 621 HA LEU 81 HA LEU 81 2.178 13.172 -12.235 622 HB2 LEU 81 2HB LEU 81 3.522 11.365 -12.303 623 HB3 LEU 81 3HB LEU 81 3.928 12.020 -13.888 624 HG LEU 81 HG LEU 81 5.822 13.236 -12.471 625 HD11 LEU 81 1HD1 LEU 81 6.586 11.180 -10.935 626 HD12 LEU 81 2HD1 LEU 81 4.837 11.046 -10.755 627 HD13 LEU 81 3HD1 LEU 81 5.654 12.549 -10.327 628 HD21 LEU 81 1HD2 LEU 81 7.238 11.875 -13.576 629 HD22 LEU 81 2HD2 LEU 81 5.757 11.299 -14.342 630 HD23 LEU 81 3HD2 LEU 81 6.457 10.406 -12.990 631 H TYR 82 H TYR 82 2.710 13.155 -10.036 632 HA TYR 82 HA TYR 82 4.634 15.236 -9.225 633 HB2 TYR 82 2HB TYR 82 1.947 14.485 -8.101 634 HB3 TYR 82 3HB TYR 82 3.136 15.340 -7.124 635 HD1 TYR 82 HD1 TYR 82 1.481 15.575 -10.467 636 HD2 TYR 82 HD2 TYR 82 3.093 17.650 -7.121 637 HE1 TYR 82 HE1 TYR 82 0.734 17.708 -11.438 638 HE2 TYR 82 HE2 TYR 82 2.349 19.789 -8.082 639 HH TYR 82 HH TYR 82 0.126 20.061 -10.462 640 H ARG 83 H ARG 83 6.263 14.629 -7.958 641 HA ARG 83 HA ARG 83 6.142 11.952 -6.737 642 HB2 ARG 83 2HB ARG 83 7.987 12.893 -8.505 643 HB3 ARG 83 3HB ARG 83 8.767 13.271 -6.975 644 HG2 ARG 83 2HG ARG 83 7.645 10.545 -7.364 645 HG3 ARG 83 3HG ARG 83 9.154 10.970 -8.174 646 HD2 ARG 83 2HD ARG 83 8.937 11.684 -5.313 647 HD3 ARG 83 3HD ARG 83 9.044 9.965 -5.690 648 HE ARG 83 HE ARG 83 11.029 11.459 -7.073 649 HH11 ARG 83 1HH1 ARG 83 10.219 10.122 -3.963 650 HH12 ARG 83 2HH1 ARG 83 11.868 9.970 -3.453 651 HH21 ARG 83 1HH2 ARG 83 13.204 11.264 -6.414 652 HH22 ARG 83 2HH2 ARG 83 13.565 10.621 -4.848 653 H ASN 84 H ASN 84 5.354 12.350 -4.724 654 HA ASN 84 HA ASN 84 5.399 12.924 -2.522 655 HB2 ASN 84 2HB ASN 84 7.975 12.498 -3.051 656 HB3 ASN 84 3HB ASN 84 8.071 14.228 -2.737 657 HD21 ASN 84 1HD2 ASN 84 8.312 14.841 -0.712 658 HD22 ASN 84 2HD2 ASN 84 8.000 13.871 0.684 659 H GLY 85 H GLY 85 4.015 14.606 -4.082 660 HA2 GLY 85 2HA GLY 85 3.058 16.694 -4.033 661 HA3 GLY 85 3HA GLY 85 4.007 17.012 -2.588 662 H GLN 86 H GLN 86 5.470 16.128 -5.637 663 HA GLN 86 HA GLN 86 6.258 18.918 -6.087 664 HB2 GLN 86 2HB GLN 86 8.019 16.612 -5.491 665 HB3 GLN 86 3HB GLN 86 8.544 17.674 -6.791 666 HG2 GLN 86 2HG GLN 86 8.469 19.582 -5.294 667 HG3 GLN 86 3HG GLN 86 7.880 18.552 -3.990 668 HE21 GLN 86 1HE2 GLN 86 9.316 16.692 -3.438 669 HE22 GLN 86 2HE2 GLN 86 11.020 16.977 -3.440 670 H GLU 87 H GLU 87 6.016 19.523 -8.138 671 HA GLU 87 HA GLU 87 5.169 17.606 -10.105 672 HB2 GLU 87 2HB GLU 87 5.017 19.611 -11.595 673 HB3 GLU 87 3HB GLU 87 4.083 19.740 -10.111 674 HG2 GLU 87 2HG GLU 87 6.598 20.812 -9.521 675 HG3 GLU 87 3HG GLU 87 6.163 21.440 -11.109 676 H VAL 88 H VAL 88 6.582 16.379 -11.153 677 HA VAL 88 HA VAL 88 9.339 17.142 -11.459 678 HB VAL 88 HB VAL 88 7.916 14.777 -12.686 679 HG11 VAL 88 1HG1 VAL 88 10.469 14.001 -12.225 680 HG12 VAL 88 2HG1 VAL 88 9.889 14.649 -13.761 681 HG13 VAL 88 3HG1 VAL 88 10.704 15.706 -12.606 682 HG21 VAL 88 1HG2 VAL 88 7.557 14.399 -10.442 683 HG22 VAL 88 2HG2 VAL 88 9.124 13.623 -10.675 684 HG23 VAL 88 3HG2 VAL 88 9.034 15.231 -9.955 685 H ARG 89 H ARG 89 6.944 16.074 -13.881 686 HA ARG 89 HA ARG 89 7.939 18.167 -15.686 687 HB2 ARG 89 2HB ARG 89 8.106 15.270 -16.040 688 HB3 ARG 89 3HB ARG 89 7.316 16.081 -17.386 689 HG2 ARG 89 2HG ARG 89 9.518 16.097 -18.043 690 HG3 ARG 89 3HG ARG 89 9.358 17.681 -17.281 691 HD2 ARG 89 2HD ARG 89 10.357 16.849 -15.248 692 HD3 ARG 89 3HD ARG 89 10.402 15.212 -15.902 693 HE ARG 89 HE ARG 89 11.854 16.614 -17.692 694 HH11 ARG 89 1HH1 ARG 89 11.968 16.360 -14.222 695 HH12 ARG 89 2HH1 ARG 89 13.675 16.638 -14.127 696 HH21 ARG 89 1HH2 ARG 89 14.102 16.982 -17.580 697 HH22 ARG 89 2HH2 ARG 89 14.888 16.993 -16.038 698 H ARG 90 H ARG 90 6.451 18.821 -17.325 699 HA ARG 90 HA ARG 90 3.764 17.786 -17.320 700 HB2 ARG 90 2HB ARG 90 3.577 19.188 -15.374 701 HB3 ARG 90 3HB ARG 90 4.356 20.528 -16.203 702 HG2 ARG 90 2HG ARG 90 2.091 19.746 -17.725 703 HG3 ARG 90 3HG ARG 90 1.600 19.914 -16.039 704 HD2 ARG 90 2HD ARG 90 3.296 22.016 -17.320 705 HD3 ARG 90 3HD ARG 90 1.559 21.983 -17.623 706 HE ARG 90 HE ARG 90 1.701 21.866 -14.932 707 HH11 ARG 90 1HH1 ARG 90 3.140 23.980 -17.294 708 HH12 ARG 90 2HH1 ARG 90 3.184 25.349 -16.234 709 HH21 ARG 90 1HH2 ARG 90 1.754 23.661 -13.526 710 HH22 ARG 90 2HH2 ARG 90 2.396 25.167 -14.090 711 H SER 91 H SER 91 2.823 18.101 -19.250 712 HA SER 91 HA SER 91 3.385 20.365 -20.910 713 HB2 SER 91 2HB SER 91 5.104 18.112 -21.162 714 HB3 SER 91 3HB SER 91 4.073 18.156 -22.592 715 HG SER 91 HG SER 91 5.591 20.339 -21.595 716 H ILE 92 H ILE 92 1.632 20.773 -22.088 717 HA ILE 92 HA ILE 92 -0.207 18.544 -22.670 718 HB ILE 92 HB ILE 92 -1.086 20.094 -20.936 719 HG12 ILE 92 2HG1 ILE 92 -2.431 18.883 -22.892 720 HG13 ILE 92 3HG1 ILE 92 -3.234 19.924 -21.721 721 HG21 ILE 92 1HG2 ILE 92 -0.108 22.166 -21.586 722 HG22 ILE 92 2HG2 ILE 92 -0.875 22.098 -23.172 723 HG23 ILE 92 3HG2 ILE 92 -1.857 22.343 -21.728 724 HD11 ILE 92 1HD1 ILE 92 -3.726 20.193 -24.249 725 HD12 ILE 92 2HD1 ILE 92 -3.526 21.625 -23.240 726 HD13 ILE 92 3HD1 ILE 92 -2.202 21.079 -24.268 727 H GLY 93 H GLY 93 -1.203 18.499 -24.671 728 HA2 GLY 93 2HA GLY 93 -1.692 20.164 -26.620 729 HA3 GLY 93 3HA GLY 93 0.063 20.205 -26.696 730 H GLU 94 H GLU 94 0.954 17.769 -26.548 731 HA GLU 94 HA GLU 94 -0.555 15.755 -27.833 732 HB2 GLU 94 2HB GLU 94 1.154 15.921 -29.913 733 HB3 GLU 94 3HB GLU 94 -0.462 16.613 -29.925 734 HG2 GLU 94 2HG GLU 94 0.299 18.759 -29.715 735 HG3 GLU 94 3HG GLU 94 1.790 18.268 -28.913 736 H THR 95 H THR 95 2.816 16.726 -28.393 737 HA THR 95 HA THR 95 3.779 14.733 -26.516 738 HB THR 95 HB THR 95 4.940 14.493 -29.250 739 HG1 THR 95 HG1 THR 95 3.275 12.776 -29.565 740 HG21 THR 95 1HG2 THR 95 4.443 12.019 -27.943 741 HG22 THR 95 2HG2 THR 95 5.108 13.138 -26.753 742 HG23 THR 95 3HG2 THR 95 5.990 12.808 -28.244 743 H SER 96 H SER 96 5.866 15.100 -25.822 744 HA SER 96 HA SER 96 7.658 16.877 -27.151 745 HB2 SER 96 2HB SER 96 7.392 18.249 -24.713 746 HB3 SER 96 3HB SER 96 6.951 18.835 -26.317 747 HG SER 96 HG SER 96 4.912 18.537 -25.864 748 HA PRO 97 HA PRO 97 10.624 14.868 -24.620 749 HB2 PRO 97 2HB PRO 97 12.456 16.819 -24.160 750 HB3 PRO 97 3HB PRO 97 12.251 16.046 -25.736 751 HG2 PRO 97 2HG PRO 97 11.199 18.675 -24.765 752 HG3 PRO 97 3HG PRO 97 11.928 18.270 -26.331 753 HD2 PRO 97 2HD PRO 97 9.251 18.483 -25.981 754 HD3 PRO 97 3HD PRO 97 9.976 17.354 -27.144 755 H SER 98 H SER 98 9.079 17.721 -23.399 756 HA SER 98 HA SER 98 10.097 17.320 -20.700 757 HB2 SER 98 2HB SER 98 9.188 19.556 -22.138 758 HB3 SER 98 3HB SER 98 7.974 19.276 -20.890 759 HG SER 98 HG SER 98 10.454 20.291 -20.647 760 H ALA 99 H ALA 99 7.424 16.411 -22.618 761 HA ALA 99 HA ALA 99 5.635 15.978 -20.373 762 HB1 ALA 99 1HB ALA 99 5.308 16.334 -23.147 763 HB2 ALA 99 2HB ALA 99 4.722 14.714 -22.769 764 HB3 ALA 99 3HB ALA 99 4.056 16.113 -21.925 765 H LEU 100 H LEU 100 7.635 14.086 -22.578 766 HA LEU 100 HA LEU 100 6.765 11.569 -21.460 767 HB2 LEU 100 2HB LEU 100 7.302 11.521 -23.756 768 HB3 LEU 100 3HB LEU 100 8.836 12.347 -23.491 769 HG LEU 100 HG LEU 100 9.607 10.281 -22.268 770 HD11 LEU 100 1HD1 LEU 100 7.055 9.536 -22.189 771 HD12 LEU 100 2HD1 LEU 100 8.381 8.375 -22.185 772 HD13 LEU 100 3HD1 LEU 100 7.522 8.727 -23.685 773 HD21 LEU 100 1HD2 LEU 100 10.576 10.442 -24.333 774 HD22 LEU 100 2HD2 LEU 100 9.029 10.462 -25.181 775 HD23 LEU 100 3HD2 LEU 100 9.665 8.946 -24.539 776 H SER 101 H SER 101 9.197 13.905 -20.824 777 HA SER 101 HA SER 101 11.223 12.354 -19.704 778 HB2 SER 101 2HB SER 101 10.387 15.167 -19.590 779 HB3 SER 101 3HB SER 101 11.244 14.620 -18.148 780 HG SER 101 HG SER 101 12.460 15.447 -20.128 781 H ASP 102 H ASP 102 8.051 12.974 -18.581 782 HA ASP 102 HA ASP 102 8.656 12.346 -15.811 783 HB2 ASP 102 2HB ASP 102 6.575 13.134 -15.304 784 HB3 ASP 102 3HB ASP 102 6.776 13.941 -16.857 785 H PHE 103 H PHE 103 7.598 10.745 -18.680 786 HA PHE 103 HA PHE 103 6.574 8.434 -17.253 787 HB2 PHE 103 2HB PHE 103 6.122 9.534 -19.787 788 HB3 PHE 103 3HB PHE 103 6.973 8.023 -20.092 789 HD1 PHE 103 HD1 PHE 103 6.059 5.995 -18.601 790 HD2 PHE 103 HD2 PHE 103 3.838 9.450 -19.718 791 HE1 PHE 103 HE1 PHE 103 3.962 4.748 -18.277 792 HE2 PHE 103 HE2 PHE 103 1.738 8.209 -19.394 793 HZ PHE 103 HZ PHE 103 1.798 5.856 -18.672 794 H LEU 104 H LEU 104 9.500 9.492 -18.766 795 HA LEU 104 HA LEU 104 10.630 6.796 -18.726 796 HB2 LEU 104 2HB LEU 104 12.433 7.660 -20.005 797 HB3 LEU 104 3HB LEU 104 10.940 8.285 -20.702 798 HG LEU 104 HG LEU 104 11.556 10.340 -19.099 799 HD11 LEU 104 1HD1 LEU 104 14.181 9.044 -19.802 800 HD12 LEU 104 2HD1 LEU 104 13.571 9.437 -18.195 801 HD13 LEU 104 3HD1 LEU 104 14.012 10.730 -19.311 802 HD21 LEU 104 1HD2 LEU 104 12.985 11.058 -21.260 803 HD22 LEU 104 2HD2 LEU 104 11.222 11.012 -21.227 804 HD23 LEU 104 3HD2 LEU 104 12.128 9.662 -21.912 805 H THR 105 H THR 105 10.421 9.529 -16.771 806 HA THR 105 HA THR 105 12.724 8.614 -15.175 807 HB THR 105 HB THR 105 11.829 11.461 -15.016 808 HG1 THR 105 HG1 THR 105 12.242 10.810 -17.295 809 HG21 THR 105 1HG2 THR 105 14.467 11.559 -14.820 810 HG22 THR 105 2HG2 THR 105 14.261 9.859 -14.396 811 HG23 THR 105 3HG2 THR 105 13.460 11.109 -13.445 812 H ARG 106 H ARG 106 9.491 8.657 -15.277 813 HA ARG 106 HA ARG 106 7.776 8.783 -13.754 814 HB2 ARG 106 2HB ARG 106 8.028 7.236 -11.973 815 HB3 ARG 106 3HB ARG 106 9.026 6.631 -13.289 816 HG2 ARG 106 2HG ARG 106 11.020 7.424 -12.221 817 HG3 ARG 106 3HG ARG 106 10.076 8.234 -10.969 818 HD2 ARG 106 2HD ARG 106 9.137 5.918 -10.434 819 HD3 ARG 106 3HD ARG 106 10.454 5.289 -11.423 820 HE ARG 106 HE ARG 106 11.282 7.114 -9.349 821 HH11 ARG 106 1HH1 ARG 106 10.626 3.800 -10.189 822 HH12 ARG 106 2HH1 ARG 106 11.625 3.147 -8.933 823 HH21 ARG 106 1HH2 ARG 106 12.601 6.268 -7.692 824 HH22 ARG 106 2HH2 ARG 106 12.748 4.552 -7.513 Start of MODEL 8 1 H GLN 1 H GLN 1 0.028 -7.008 -6.046 2 HA GLN 1 HA GLN 1 -0.527 -4.730 -5.120 3 HB2 GLN 1 2HB GLN 1 0.886 -5.659 -3.013 4 HB3 GLN 1 3HB GLN 1 2.131 -4.715 -3.820 5 HG2 GLN 1 2HG GLN 1 -0.387 -3.287 -3.617 6 HG3 GLN 1 3HG GLN 1 0.251 -3.770 -2.046 7 HE21 GLN 1 1HE2 GLN 1 0.369 -1.488 -4.480 8 HE22 GLN 1 2HE2 GLN 1 1.810 -0.663 -4.000 9 H ALA 2 H ALA 2 -0.290 -4.007 -7.168 10 HA ALA 2 HA ALA 2 2.258 -2.951 -7.939 11 HB1 ALA 2 1HB ALA 2 1.179 -5.383 -9.309 12 HB2 ALA 2 2HB ALA 2 2.157 -4.212 -10.195 13 HB3 ALA 2 3HB ALA 2 2.827 -5.033 -8.786 14 H ALA 3 H ALA 3 2.127 -1.532 -9.745 15 HA ALA 3 HA ALA 3 1.135 0.073 -11.019 16 HB1 ALA 3 1HB ALA 3 -1.343 -0.989 -11.744 17 HB2 ALA 3 2HB ALA 3 0.159 -1.051 -12.668 18 HB3 ALA 3 3HB ALA 3 -0.266 -2.378 -11.586 19 H SER 4 H SER 4 -1.041 1.335 -11.290 20 HA SER 4 HA SER 4 -2.948 1.345 -9.233 21 HB2 SER 4 2HB SER 4 -0.465 2.430 -8.423 22 HB3 SER 4 3HB SER 4 -1.560 3.794 -8.647 23 HG SER 4 HG SER 4 -2.877 3.012 -7.112 24 H VAL 5 H VAL 5 -4.464 1.852 -10.720 25 HA VAL 5 HA VAL 5 -4.176 4.443 -12.099 26 HB VAL 5 HB VAL 5 -5.480 3.603 -13.946 27 HG11 VAL 5 1HG1 VAL 5 -3.884 1.413 -14.320 28 HG12 VAL 5 2HG1 VAL 5 -3.422 3.082 -14.660 29 HG13 VAL 5 3HG1 VAL 5 -2.977 2.338 -13.123 30 HG21 VAL 5 1HG2 VAL 5 -7.008 2.122 -12.915 31 HG22 VAL 5 2HG2 VAL 5 -6.042 1.137 -14.014 32 HG23 VAL 5 3HG2 VAL 5 -5.712 1.107 -12.282 33 H GLU 6 H GLU 6 -5.930 5.811 -12.133 34 HA GLU 6 HA GLU 6 -8.464 4.960 -11.010 35 HB2 GLU 6 2HB GLU 6 -6.613 6.875 -9.626 36 HB3 GLU 6 3HB GLU 6 -8.354 7.024 -9.433 37 HG2 GLU 6 2HG GLU 6 -7.945 5.689 -7.664 38 HG3 GLU 6 3HG GLU 6 -8.115 4.433 -8.889 39 HA PRO 7 HA PRO 7 -10.085 7.937 -13.796 40 HB2 PRO 7 2HB PRO 7 -12.359 8.686 -12.516 41 HB3 PRO 7 3HB PRO 7 -12.166 7.107 -13.289 42 HG2 PRO 7 2HG PRO 7 -11.902 7.848 -10.400 43 HG3 PRO 7 3HG PRO 7 -12.697 6.438 -11.126 44 HD2 PRO 7 2HD PRO 7 -10.222 6.314 -10.035 45 HD3 PRO 7 3HD PRO 7 -10.708 5.309 -11.414 46 H TYR 8 H TYR 8 -9.979 10.090 -14.222 47 HA TYR 8 HA TYR 8 -8.471 11.847 -12.876 48 HB2 TYR 8 2HB TYR 8 -9.324 12.423 -15.043 49 HB3 TYR 8 3HB TYR 8 -10.980 12.452 -14.447 50 HD1 TYR 8 HD1 TYR 8 -11.917 14.441 -13.645 51 HD2 TYR 8 HD2 TYR 8 -7.698 14.171 -14.124 52 HE1 TYR 8 HE1 TYR 8 -11.717 16.850 -13.191 53 HE2 TYR 8 HE2 TYR 8 -7.486 16.579 -13.670 54 HH TYR 8 HH TYR 8 -9.589 18.367 -12.210 55 H SER 9 H SER 9 -11.933 12.554 -12.757 56 HA SER 9 HA SER 9 -13.282 13.318 -11.092 57 HB2 SER 9 2HB SER 9 -11.570 11.299 -9.789 58 HB3 SER 9 3HB SER 9 -12.330 12.449 -8.689 59 HG SER 9 HG SER 9 -13.428 10.358 -9.943 60 H ASP 10 H ASP 10 -13.095 15.471 -10.972 61 HA ASP 10 HA ASP 10 -10.889 17.003 -10.436 62 HB2 ASP 10 2HB ASP 10 -12.354 18.827 -10.032 63 HB3 ASP 10 3HB ASP 10 -13.196 17.780 -11.170 64 H ALA 11 H ALA 11 -12.835 15.208 -8.196 65 HA ALA 11 HA ALA 11 -11.766 16.540 -5.859 66 HB1 ALA 11 1HB ALA 11 -14.094 15.285 -6.263 67 HB2 ALA 11 2HB ALA 11 -13.167 13.953 -5.571 68 HB3 ALA 11 3HB ALA 11 -13.358 15.457 -4.670 69 H ALA 12 H ALA 12 -11.062 13.745 -7.793 70 HA ALA 12 HA ALA 12 -9.297 12.589 -5.795 71 HB1 ALA 12 1HB ALA 12 -9.260 11.528 -8.545 72 HB2 ALA 12 2HB ALA 12 -9.372 10.683 -7.001 73 HB3 ALA 12 3HB ALA 12 -10.806 11.435 -7.700 74 H PHE 13 H PHE 13 -9.113 14.462 -8.746 75 HA PHE 13 HA PHE 13 -6.487 14.137 -9.492 76 HB2 PHE 13 2HB PHE 13 -8.121 15.503 -10.737 77 HB3 PHE 13 3HB PHE 13 -8.041 16.733 -9.480 78 HD1 PHE 13 HD1 PHE 13 -6.471 18.437 -9.606 79 HD2 PHE 13 HD2 PHE 13 -5.949 14.933 -11.965 80 HE1 PHE 13 HE1 PHE 13 -4.588 19.507 -10.772 81 HE2 PHE 13 HE2 PHE 13 -4.064 15.997 -13.135 82 HZ PHE 13 HZ PHE 13 -3.381 18.287 -12.539 83 H THR 14 H THR 14 -7.773 15.858 -6.751 84 HA THR 14 HA THR 14 -5.270 17.170 -6.137 85 HB THR 14 HB THR 14 -6.423 17.927 -4.076 86 HG1 THR 14 HG1 THR 14 -7.938 15.874 -4.434 87 HG21 THR 14 1HG2 THR 14 -6.600 19.176 -6.226 88 HG22 THR 14 2HG2 THR 14 -7.982 19.411 -5.156 89 HG23 THR 14 3HG2 THR 14 -8.115 18.331 -6.544 90 H GLN 15 H GLN 15 -7.036 14.319 -5.129 91 HA GLN 15 HA GLN 15 -5.542 13.762 -2.793 92 HB2 GLN 15 2HB GLN 15 -6.827 11.896 -2.619 93 HB3 GLN 15 3HB GLN 15 -7.796 12.739 -3.821 94 HG2 GLN 15 2HG GLN 15 -7.644 10.682 -4.783 95 HG3 GLN 15 3HG GLN 15 -6.244 11.471 -5.506 96 HE21 GLN 15 1HE2 GLN 15 -7.014 9.748 -2.496 97 HE22 GLN 15 2HE2 GLN 15 -5.611 8.740 -2.515 98 H ALA 16 H ALA 16 -4.879 13.363 -6.146 99 HA ALA 16 HA ALA 16 -2.908 11.300 -5.863 100 HB1 ALA 16 1HB ALA 16 -2.294 12.060 -8.226 101 HB2 ALA 16 2HB ALA 16 -3.910 11.396 -7.975 102 HB3 ALA 16 3HB ALA 16 -3.683 13.140 -8.103 103 H GLN 17 H GLN 17 -2.842 14.827 -6.164 104 HA GLN 17 HA GLN 17 0.050 14.893 -6.008 105 HB2 GLN 17 2HB GLN 17 -0.943 16.527 -7.437 106 HB3 GLN 17 3HB GLN 17 -2.054 17.047 -6.177 107 HG2 GLN 17 2HG GLN 17 -0.120 17.876 -4.876 108 HG3 GLN 17 3HG GLN 17 0.926 17.453 -6.231 109 HE21 GLN 17 1HE2 GLN 17 -0.652 18.232 -8.351 110 HE22 GLN 17 2HE2 GLN 17 -0.835 19.949 -8.326 111 H ALA 18 H ALA 18 -2.632 15.047 -3.870 112 HA ALA 18 HA ALA 18 -1.126 16.332 -1.739 113 HB1 ALA 18 1HB ALA 18 -3.956 15.356 -1.976 114 HB2 ALA 18 2HB ALA 18 -3.270 15.878 -0.436 115 HB3 ALA 18 3HB ALA 18 -3.371 17.009 -1.786 116 H SER 19 H SER 19 -0.994 13.381 -3.002 117 HA SER 19 HA SER 19 -0.912 11.948 -0.441 118 HB2 SER 19 2HB SER 19 -1.514 11.180 -3.210 119 HB3 SER 19 3HB SER 19 -0.442 10.054 -2.379 120 HG SER 19 HG SER 19 -2.708 10.964 -1.021 121 H GLY 20 H GLY 20 1.111 13.664 -2.364 122 HA2 GLY 20 2HA GLY 20 3.392 13.777 -2.603 123 HA3 GLY 20 3HA GLY 20 3.456 12.923 -1.069 124 H ALA 21 H ALA 21 1.861 11.377 -3.704 125 HA ALA 21 HA ALA 21 4.162 9.557 -3.984 126 HB1 ALA 21 1HB ALA 21 1.630 8.489 -4.916 127 HB2 ALA 21 2HB ALA 21 2.791 7.814 -3.772 128 HB3 ALA 21 3HB ALA 21 1.574 8.964 -3.219 129 HA PRO 22 HA PRO 22 4.460 10.311 -8.296 130 HB2 PRO 22 2HB PRO 22 4.830 7.829 -9.332 131 HB3 PRO 22 3HB PRO 22 6.067 8.672 -8.391 132 HG2 PRO 22 2HG PRO 22 4.142 6.551 -7.521 133 HG3 PRO 22 3HG PRO 22 5.866 6.721 -7.142 134 HD2 PRO 22 2HD PRO 22 3.915 7.451 -5.412 135 HD3 PRO 22 3HD PRO 22 5.478 8.288 -5.496 136 H VAL 23 H VAL 23 2.993 10.801 -9.798 137 HA VAL 23 HA VAL 23 0.963 8.874 -10.576 138 HB VAL 23 HB VAL 23 0.179 11.609 -9.557 139 HG11 VAL 23 1HG1 VAL 23 -2.095 10.945 -10.005 140 HG12 VAL 23 2HG1 VAL 23 -1.144 10.787 -11.483 141 HG13 VAL 23 3HG1 VAL 23 -1.562 9.353 -10.544 142 HG21 VAL 23 1HG2 VAL 23 -0.313 8.866 -8.400 143 HG22 VAL 23 2HG2 VAL 23 0.722 10.121 -7.719 144 HG23 VAL 23 3HG2 VAL 23 -1.022 10.366 -7.801 145 H LEU 24 H LEU 24 0.762 8.914 -12.713 146 HA LEU 24 HA LEU 24 1.766 11.246 -14.176 147 HB2 LEU 24 2HB LEU 24 2.440 9.849 -15.803 148 HB3 LEU 24 3HB LEU 24 2.359 8.653 -14.512 149 HG LEU 24 HG LEU 24 -0.108 8.362 -15.420 150 HD11 LEU 24 1HD1 LEU 24 0.437 8.469 -18.070 151 HD12 LEU 24 2HD1 LEU 24 1.270 9.913 -17.496 152 HD13 LEU 24 3HD1 LEU 24 -0.453 9.707 -17.183 153 HD21 LEU 24 1HD2 LEU 24 2.340 7.213 -16.758 154 HD22 LEU 24 2HD2 LEU 24 0.713 6.537 -16.836 155 HD23 LEU 24 3HD2 LEU 24 1.568 6.603 -15.294 156 H VAL 25 H VAL 25 0.584 12.178 -15.885 157 HA VAL 25 HA VAL 25 -2.322 11.713 -15.715 158 HB VAL 25 HB VAL 25 -1.039 14.249 -16.707 159 HG11 VAL 25 1HG1 VAL 25 -3.456 14.851 -15.563 160 HG12 VAL 25 2HG1 VAL 25 -3.170 14.605 -17.287 161 HG13 VAL 25 3HG1 VAL 25 -3.757 13.273 -16.290 162 HG21 VAL 25 1HG2 VAL 25 -0.326 14.623 -14.623 163 HG22 VAL 25 2HG2 VAL 25 -2.027 14.820 -14.200 164 HG23 VAL 25 3HG2 VAL 25 -1.238 13.259 -13.977 165 H ASP 26 H ASP 26 -3.346 11.027 -17.478 166 HA ASP 26 HA ASP 26 -2.208 11.559 -20.119 167 HB2 ASP 26 2HB ASP 26 -1.955 9.065 -18.854 168 HB3 ASP 26 3HB ASP 26 -3.249 8.865 -20.033 169 H VAL 27 H VAL 27 -3.846 12.836 -20.807 170 HA VAL 27 HA VAL 27 -6.605 12.193 -20.308 171 HB VAL 27 HB VAL 27 -5.682 14.218 -22.324 172 HG11 VAL 27 1HG1 VAL 27 -7.705 15.333 -21.808 173 HG12 VAL 27 2HG1 VAL 27 -8.115 13.626 -21.984 174 HG13 VAL 27 3HG1 VAL 27 -7.973 14.338 -20.377 175 HG21 VAL 27 1HG2 VAL 27 -5.043 14.172 -19.507 176 HG22 VAL 27 2HG2 VAL 27 -4.507 15.288 -20.763 177 HG23 VAL 27 3HG2 VAL 27 -6.028 15.575 -19.919 178 H TYR 28 H TYR 28 -8.127 11.452 -21.751 179 HA TYR 28 HA TYR 28 -7.183 10.632 -24.409 180 HB2 TYR 28 2HB TYR 28 -7.860 8.890 -22.231 181 HB3 TYR 28 3HB TYR 28 -9.030 8.676 -23.528 182 HD1 TYR 28 HD1 TYR 28 -5.323 9.126 -23.240 183 HD2 TYR 28 HD2 TYR 28 -8.547 6.976 -24.999 184 HE1 TYR 28 HE1 TYR 28 -3.714 7.714 -24.450 185 HE2 TYR 28 HE2 TYR 28 -6.946 5.557 -26.212 186 HH TYR 28 HH TYR 28 -4.812 5.101 -26.595 187 H ALA 29 H ALA 29 -8.628 10.884 -26.036 188 HA ALA 29 HA ALA 29 -11.283 11.927 -25.297 189 HB1 ALA 29 1HB ALA 29 -10.903 13.657 -26.629 190 HB2 ALA 29 2HB ALA 29 -9.275 13.048 -26.927 191 HB3 ALA 29 3HB ALA 29 -10.600 12.578 -27.991 192 H ASP 30 H ASP 30 -12.902 11.650 -27.170 193 HA ASP 30 HA ASP 30 -13.481 8.963 -27.501 194 HB2 ASP 30 2HB ASP 30 -14.609 11.452 -28.326 195 HB3 ASP 30 3HB ASP 30 -14.597 10.366 -29.713 196 H TRP 31 H TRP 31 -11.883 11.180 -29.764 197 HA TRP 31 HA TRP 31 -10.304 9.111 -30.894 198 HB2 TRP 31 2HB TRP 31 -12.652 8.781 -31.925 199 HB3 TRP 31 3HB TRP 31 -12.298 10.243 -32.841 200 HD1 TRP 31 HD1 TRP 31 -10.761 10.008 -34.931 201 HE1 TRP 31 HE1 TRP 31 -9.593 8.025 -36.084 202 HE3 TRP 31 HE3 TRP 31 -11.469 6.445 -31.334 203 HZ2 TRP 31 HZ2 TRP 31 -9.045 5.310 -35.541 204 HZ3 TRP 31 HZ3 TRP 31 -10.593 4.180 -31.728 205 HH2 TRP 31 HH2 TRP 31 -9.407 3.626 -33.789 206 H CYS 32 H CYS 32 -9.509 11.414 -29.789 207 HA CYS 32 HA CYS 32 -9.176 13.487 -31.764 208 HB2 CYS 32 2HB CYS 32 -8.466 13.110 -28.904 209 HB3 CYS 32 3HB CYS 32 -7.466 14.223 -29.830 210 HG CYS 32 HG CYS 32 -9.706 15.781 -30.646 211 HA PRO 33 HA PRO 33 -5.345 12.319 -33.546 212 HB2 PRO 33 2HB PRO 33 -3.998 14.672 -33.682 213 HB3 PRO 33 3HB PRO 33 -5.383 14.296 -34.715 214 HG2 PRO 33 2HG PRO 33 -5.277 15.931 -32.209 215 HG3 PRO 33 3HG PRO 33 -6.137 16.261 -33.724 216 HD2 PRO 33 2HD PRO 33 -7.374 15.257 -31.535 217 HD3 PRO 33 3HD PRO 33 -7.880 14.851 -33.188 218 H VAL 34 H VAL 34 -5.231 14.058 -30.513 219 HA VAL 34 HA VAL 34 -2.457 13.616 -29.998 220 HB VAL 34 HB VAL 34 -3.004 14.273 -27.668 221 HG11 VAL 34 1HG1 VAL 34 -4.356 16.467 -28.774 222 HG12 VAL 34 2HG1 VAL 34 -2.621 16.297 -28.500 223 HG13 VAL 34 3HG1 VAL 34 -3.319 15.839 -30.054 224 HG21 VAL 34 1HG2 VAL 34 -5.180 13.361 -27.375 225 HG22 VAL 34 2HG2 VAL 34 -5.340 15.114 -27.262 226 HG23 VAL 34 3HG2 VAL 34 -5.819 14.278 -28.739 227 H CYS 35 H CYS 35 -5.451 11.982 -29.057 228 HA CYS 35 HA CYS 35 -4.057 10.022 -27.465 229 HB2 CYS 35 2HB CYS 35 -6.198 9.113 -26.976 230 HB3 CYS 35 3HB CYS 35 -6.406 10.860 -27.010 231 HG CYS 35 HG CYS 35 -8.576 9.294 -28.185 232 H LYS 36 H LYS 36 -5.037 10.376 -30.745 233 HA LYS 36 HA LYS 36 -4.900 7.539 -31.331 234 HB2 LYS 36 2HB LYS 36 -6.501 9.098 -32.478 235 HB3 LYS 36 3HB LYS 36 -5.120 9.850 -33.265 236 HG2 LYS 36 2HG LYS 36 -5.211 6.945 -33.564 237 HG3 LYS 36 3HG LYS 36 -6.588 7.789 -34.278 238 HD2 LYS 36 2HD LYS 36 -5.281 8.916 -35.798 239 HD3 LYS 36 3HD LYS 36 -3.841 8.833 -34.781 240 HE2 LYS 36 2HE LYS 36 -4.369 6.190 -35.302 241 HE3 LYS 36 3HE LYS 36 -4.819 6.978 -36.814 242 HZ1 LYS 36 1HZ LYS 36 -2.679 7.060 -37.315 243 HZ2 LYS 36 2HZ LYS 36 -2.242 6.430 -35.808 244 HZ3 LYS 36 3HZ LYS 36 -2.415 8.101 -36.008 245 H ARG 37 H ARG 37 -2.888 10.381 -31.584 246 HA ARG 37 HA ARG 37 -0.893 9.004 -33.186 247 HB2 ARG 37 2HB ARG 37 -1.363 11.385 -33.601 248 HB3 ARG 37 3HB ARG 37 -0.856 11.768 -31.961 249 HG2 ARG 37 2HG ARG 37 0.923 12.304 -33.467 250 HG3 ARG 37 3HG ARG 37 1.399 10.902 -32.507 251 HD2 ARG 37 2HD ARG 37 0.881 9.418 -34.336 252 HD3 ARG 37 3HD ARG 37 0.242 10.759 -35.287 253 HE ARG 37 HE ARG 37 2.993 10.029 -34.963 254 HH11 ARG 37 1HH1 ARG 37 0.811 12.664 -35.606 255 HH12 ARG 37 2HH1 ARG 37 1.991 13.607 -36.454 256 HH21 ARG 37 1HH2 ARG 37 4.557 11.261 -36.077 257 HH22 ARG 37 2HH2 ARG 37 4.122 12.808 -36.722 258 H GLN 38 H GLN 38 -1.577 9.658 -29.878 259 HA GLN 38 HA GLN 38 1.127 9.285 -28.952 260 HB2 GLN 38 2HB GLN 38 -0.284 10.727 -27.656 261 HB3 GLN 38 3HB GLN 38 -1.518 9.482 -27.512 262 HG2 GLN 38 2HG GLN 38 1.189 8.885 -26.455 263 HG3 GLN 38 3HG GLN 38 0.174 10.014 -25.559 264 HE21 GLN 38 1HE2 GLN 38 0.756 7.925 -24.168 265 HE22 GLN 38 2HE2 GLN 38 -0.526 6.769 -24.104 266 H GLU 39 H GLU 39 -1.555 7.287 -29.719 267 HA GLU 39 HA GLU 39 -1.142 5.106 -28.024 268 HB2 GLU 39 2HB GLU 39 -3.136 5.304 -29.401 269 HB3 GLU 39 3HB GLU 39 -2.172 5.164 -30.865 270 HG2 GLU 39 2HG GLU 39 -1.620 2.890 -30.359 271 HG3 GLU 39 3HG GLU 39 -2.392 3.009 -28.779 272 H ARG 40 H ARG 40 0.638 6.199 -30.780 273 HA ARG 40 HA ARG 40 1.980 3.700 -31.261 274 HB2 ARG 40 2HB ARG 40 3.195 4.845 -32.944 275 HB3 ARG 40 3HB ARG 40 1.565 5.501 -32.993 276 HG2 ARG 40 2HG ARG 40 2.706 7.448 -33.081 277 HG3 ARG 40 3HG ARG 40 2.659 7.265 -31.326 278 HD2 ARG 40 2HD ARG 40 4.887 7.643 -31.580 279 HD3 ARG 40 3HD ARG 40 4.882 5.893 -31.798 280 HE ARG 40 HE ARG 40 4.516 7.076 -34.299 281 HH11 ARG 40 1HH1 ARG 40 6.960 6.833 -31.832 282 HH12 ARG 40 2HH1 ARG 40 8.281 6.985 -32.942 283 HH21 ARG 40 1HH2 ARG 40 6.247 7.278 -35.771 284 HH22 ARG 40 2HH2 ARG 40 7.874 7.240 -35.182 285 H GLU 41 H GLU 41 2.521 6.547 -29.330 286 HA GLU 41 HA GLU 41 5.280 5.848 -28.765 287 HB2 GLU 41 2HB GLU 41 3.470 8.097 -27.932 288 HB3 GLU 41 3HB GLU 41 5.005 7.827 -27.118 289 HG2 GLU 41 2HG GLU 41 5.881 7.810 -29.627 290 HG3 GLU 41 3HG GLU 41 4.450 8.815 -29.850 291 H LEU 42 H LEU 42 2.420 4.653 -27.774 292 HA LEU 42 HA LEU 42 2.523 4.593 -24.987 293 HB2 LEU 42 2HB LEU 42 0.794 3.152 -25.115 294 HB3 LEU 42 3HB LEU 42 0.785 3.687 -26.794 295 HG LEU 42 HG LEU 42 2.055 1.147 -25.772 296 HD11 LEU 42 1HD1 LEU 42 0.183 0.168 -27.242 297 HD12 LEU 42 2HD1 LEU 42 -0.586 1.744 -27.050 298 HD13 LEU 42 3HD1 LEU 42 -0.231 0.758 -25.632 299 HD21 LEU 42 1HD2 LEU 42 2.414 2.629 -28.189 300 HD22 LEU 42 2HD2 LEU 42 1.610 1.102 -28.554 301 HD23 LEU 42 3HD2 LEU 42 3.153 1.104 -27.699 302 H THR 43 H THR 43 4.569 3.125 -27.271 303 HA THR 43 HA THR 43 5.411 0.931 -25.598 304 HB THR 43 HB THR 43 7.362 1.402 -27.587 305 HG1 THR 43 HG1 THR 43 6.183 1.765 -29.412 306 HG21 THR 43 1HG2 THR 43 5.940 -0.593 -28.636 307 HG22 THR 43 2HG2 THR 43 5.220 -0.576 -27.027 308 HG23 THR 43 3HG2 THR 43 6.957 -0.812 -27.213 309 HA PRO 44 HA PRO 44 9.420 3.571 -25.190 310 HB2 PRO 44 2HB PRO 44 9.414 6.064 -26.264 311 HB3 PRO 44 3HB PRO 44 9.898 4.627 -27.173 312 HG2 PRO 44 2HG PRO 44 7.281 6.081 -27.181 313 HG3 PRO 44 3HG PRO 44 8.200 5.424 -28.548 314 HD2 PRO 44 2HD PRO 44 6.067 4.145 -27.475 315 HD3 PRO 44 3HD PRO 44 7.443 3.277 -28.186 316 H LEU 45 H LEU 45 6.303 5.137 -25.011 317 HA LEU 45 HA LEU 45 7.064 7.024 -22.986 318 HB2 LEU 45 2HB LEU 45 5.177 7.293 -24.643 319 HB3 LEU 45 3HB LEU 45 4.279 6.120 -23.681 320 HG LEU 45 HG LEU 45 5.233 8.225 -21.984 321 HD11 LEU 45 1HD1 LEU 45 4.119 10.121 -22.906 322 HD12 LEU 45 2HD1 LEU 45 3.502 9.172 -24.259 323 HD13 LEU 45 3HD1 LEU 45 5.229 9.503 -24.129 324 HD21 LEU 45 1HD2 LEU 45 2.657 8.504 -21.808 325 HD22 LEU 45 2HD2 LEU 45 3.413 7.022 -21.222 326 HD23 LEU 45 3HD2 LEU 45 2.610 7.042 -22.793 327 H PHE 46 H PHE 46 6.000 3.744 -23.052 328 HA PHE 46 HA PHE 46 5.618 3.789 -20.132 329 HB2 PHE 46 2HB PHE 46 3.820 2.483 -20.402 330 HB3 PHE 46 3HB PHE 46 3.973 2.734 -22.138 331 HD1 PHE 46 HD1 PHE 46 4.100 0.368 -19.476 332 HD2 PHE 46 HD2 PHE 46 5.435 1.115 -23.448 333 HE1 PHE 46 HE1 PHE 46 4.531 -2.036 -19.780 334 HE2 PHE 46 HE2 PHE 46 5.867 -1.287 -23.759 335 HZ PHE 46 HZ PHE 46 5.415 -2.866 -21.924 336 H ALA 47 H ALA 47 7.844 3.056 -22.429 337 HA ALA 47 HA ALA 47 8.824 0.532 -21.751 338 HB1 ALA 47 1HB ALA 47 10.362 0.998 -23.291 339 HB2 ALA 47 2HB ALA 47 9.568 2.561 -23.482 340 HB3 ALA 47 3HB ALA 47 10.945 2.399 -22.392 341 H GLN 48 H GLN 48 8.857 3.452 -19.974 342 HA GLN 48 HA GLN 48 11.046 2.556 -18.252 343 HB2 GLN 48 2HB GLN 48 9.621 5.059 -17.602 344 HB3 GLN 48 3HB GLN 48 11.346 4.722 -17.644 345 HG2 GLN 48 2HG GLN 48 9.574 5.250 -20.019 346 HG3 GLN 48 3HG GLN 48 10.751 6.360 -19.320 347 HE21 GLN 48 1HE2 GLN 48 12.867 4.674 -18.869 348 HE22 GLN 48 2HE2 GLN 48 13.482 4.101 -20.378 349 HA PRO 49 HA PRO 49 8.505 1.136 -14.972 350 HB2 PRO 49 2HB PRO 49 9.798 2.067 -12.773 351 HB3 PRO 49 3HB PRO 49 10.426 0.751 -13.771 352 HG2 PRO 49 2HG PRO 49 11.167 3.651 -13.776 353 HG3 PRO 49 3HG PRO 49 12.220 2.227 -13.872 354 HD2 PRO 49 2HD PRO 49 11.532 3.680 -16.051 355 HD3 PRO 49 3HD PRO 49 11.824 1.930 -16.123 356 H ALA 50 H ALA 50 6.993 2.967 -15.950 357 HA ALA 50 HA ALA 50 6.529 5.087 -13.988 358 HB1 ALA 50 1HB ALA 50 6.097 4.802 -16.829 359 HB2 ALA 50 2HB ALA 50 4.630 5.335 -16.006 360 HB3 ALA 50 3HB ALA 50 6.123 6.258 -15.833 361 H GLN 51 H GLN 51 5.657 1.967 -14.317 362 HA GLN 51 HA GLN 51 3.024 2.433 -13.082 363 HB2 GLN 51 2HB GLN 51 2.249 0.327 -14.094 364 HB3 GLN 51 3HB GLN 51 2.705 1.512 -15.311 365 HG2 GLN 51 2HG GLN 51 4.551 0.329 -15.976 366 HG3 GLN 51 3HG GLN 51 4.721 -0.488 -14.423 367 HE21 GLN 51 1HE2 GLN 51 3.605 -0.727 -17.582 368 HE22 GLN 51 2HE2 GLN 51 2.730 -2.208 -17.433 369 H ARG 52 H ARG 52 6.095 0.959 -12.901 370 HA ARG 52 HA ARG 52 5.346 -1.036 -10.948 371 HB2 ARG 52 2HB ARG 52 8.127 -0.124 -11.688 372 HB3 ARG 52 3HB ARG 52 7.671 -1.632 -10.907 373 HG2 ARG 52 2HG ARG 52 6.646 -2.440 -12.903 374 HG3 ARG 52 3HG ARG 52 6.831 -0.873 -13.693 375 HD2 ARG 52 2HD ARG 52 9.336 -1.178 -13.339 376 HD3 ARG 52 3HD ARG 52 8.963 -2.856 -12.948 377 HE ARG 52 HE ARG 52 8.971 -1.647 -15.549 378 HH11 ARG 52 1HH1 ARG 52 7.643 -4.210 -13.603 379 HH12 ARG 52 2HH1 ARG 52 7.297 -5.235 -14.956 380 HH21 ARG 52 1HH2 ARG 52 8.520 -2.987 -17.339 381 HH22 ARG 52 2HH2 ARG 52 7.797 -4.539 -17.080 382 H ASP 53 H ASP 53 6.942 2.112 -10.987 383 HA ASP 53 HA ASP 53 6.683 2.189 -8.053 384 HB2 ASP 53 2HB ASP 53 9.013 2.787 -9.779 385 HB3 ASP 53 3HB ASP 53 8.710 3.930 -8.473 386 H LEU 54 H LEU 54 5.309 3.295 -10.689 387 HA LEU 54 HA LEU 54 4.681 5.886 -9.477 388 HB2 LEU 54 2HB LEU 54 6.323 6.368 -11.184 389 HB3 LEU 54 3HB LEU 54 5.402 5.445 -12.370 390 HG LEU 54 HG LEU 54 3.716 7.487 -11.325 391 HD11 LEU 54 1HD1 LEU 54 6.156 8.400 -10.887 392 HD12 LEU 54 2HD1 LEU 54 4.871 9.443 -11.497 393 HD13 LEU 54 3HD1 LEU 54 6.065 8.773 -12.609 394 HD21 LEU 54 1HD2 LEU 54 3.166 6.877 -13.439 395 HD22 LEU 54 2HD2 LEU 54 4.842 6.616 -13.922 396 HD23 LEU 54 3HD2 LEU 54 4.194 8.255 -13.835 397 H ARG 55 H ARG 55 2.583 6.574 -9.762 398 HA ARG 55 HA ARG 55 0.699 4.533 -10.553 399 HB2 ARG 55 2HB ARG 55 0.201 7.344 -9.558 400 HB3 ARG 55 3HB ARG 55 -1.005 6.073 -9.713 401 HG2 ARG 55 2HG ARG 55 0.052 4.780 -7.992 402 HG3 ARG 55 3HG ARG 55 1.402 5.913 -7.914 403 HD2 ARG 55 2HD ARG 55 0.238 7.419 -6.696 404 HD3 ARG 55 3HD ARG 55 -1.275 7.084 -7.536 405 HE ARG 55 HE ARG 55 -0.845 4.854 -6.039 406 HH11 ARG 55 1HH1 ARG 55 -1.018 8.261 -5.344 407 HH12 ARG 55 2HH1 ARG 55 -1.629 8.035 -3.738 408 HH21 ARG 55 1HH2 ARG 55 -1.648 4.543 -3.927 409 HH22 ARG 55 2HH2 ARG 55 -1.986 5.920 -2.933 410 H VAL 56 H VAL 56 -0.881 4.730 -12.164 411 HA VAL 56 HA VAL 56 -0.367 6.820 -14.179 412 HB VAL 56 HB VAL 56 0.484 4.933 -15.239 413 HG11 VAL 56 1HG1 VAL 56 -1.437 3.511 -13.558 414 HG12 VAL 56 2HG1 VAL 56 -1.274 2.838 -15.181 415 HG13 VAL 56 3HG1 VAL 56 0.146 3.007 -14.149 416 HG21 VAL 56 1HG2 VAL 56 -1.503 6.135 -16.404 417 HG22 VAL 56 2HG2 VAL 56 -0.877 4.636 -17.088 418 HG23 VAL 56 3HG2 VAL 56 -2.355 4.616 -16.126 419 H PHE 57 H PHE 57 -2.063 8.155 -13.873 420 HA PHE 57 HA PHE 57 -4.753 6.974 -13.735 421 HB2 PHE 57 2HB PHE 57 -5.235 8.519 -12.189 422 HB3 PHE 57 3HB PHE 57 -3.541 9.000 -12.216 423 HD1 PHE 57 HD1 PHE 57 -2.896 11.094 -13.036 424 HD2 PHE 57 HD2 PHE 57 -6.844 9.670 -13.747 425 HE1 PHE 57 HE1 PHE 57 -3.539 13.311 -13.888 426 HE2 PHE 57 HE2 PHE 57 -7.493 11.885 -14.601 427 HZ PHE 57 HZ PHE 57 -5.839 13.708 -14.673 428 H LYS 58 H LYS 58 -6.372 7.632 -15.127 429 HA LYS 58 HA LYS 58 -5.479 9.209 -17.451 430 HB2 LYS 58 2HB LYS 58 -6.864 6.632 -17.245 431 HB3 LYS 58 3HB LYS 58 -7.632 7.760 -18.355 432 HG2 LYS 58 2HG LYS 58 -6.197 6.944 -19.856 433 HG3 LYS 58 3HG LYS 58 -5.015 7.990 -19.067 434 HD2 LYS 58 2HD LYS 58 -3.817 6.157 -18.655 435 HD3 LYS 58 3HD LYS 58 -5.071 5.687 -17.506 436 HE2 LYS 58 2HE LYS 58 -5.245 3.850 -18.783 437 HE3 LYS 58 3HE LYS 58 -6.176 4.892 -19.857 438 HZ1 LYS 58 1HZ LYS 58 -3.259 4.809 -20.153 439 HZ2 LYS 58 2HZ LYS 58 -4.451 5.082 -21.321 440 HZ3 LYS 58 3HZ LYS 58 -4.169 3.514 -20.751 441 H VAL 59 H VAL 59 -6.781 10.822 -18.210 442 HA VAL 59 HA VAL 59 -9.245 11.352 -16.678 443 HB VAL 59 HB VAL 59 -7.756 13.050 -16.027 444 HG11 VAL 59 1HG1 VAL 59 -6.360 14.327 -17.543 445 HG12 VAL 59 2HG1 VAL 59 -6.038 12.602 -17.733 446 HG13 VAL 59 3HG1 VAL 59 -7.021 13.454 -18.924 447 HG21 VAL 59 1HG2 VAL 59 -10.059 13.661 -17.320 448 HG22 VAL 59 2HG2 VAL 59 -9.057 14.834 -16.466 449 HG23 VAL 59 3HG2 VAL 59 -8.900 14.646 -18.212 450 H ASN 60 H ASN 60 -10.925 10.899 -17.947 451 HA ASN 60 HA ASN 60 -10.755 11.297 -20.824 452 HB2 ASN 60 2HB ASN 60 -12.863 10.063 -19.046 453 HB3 ASN 60 3HB ASN 60 -13.068 10.266 -20.784 454 HD21 ASN 60 1HD2 ASN 60 -13.288 7.800 -19.950 455 HD22 ASN 60 2HD2 ASN 60 -11.881 6.860 -20.301 456 H PHE 61 H PHE 61 -12.166 12.613 -22.013 457 HA PHE 61 HA PHE 61 -12.700 15.136 -20.956 458 HB2 PHE 61 2HB PHE 61 -13.781 15.637 -23.025 459 HB3 PHE 61 3HB PHE 61 -12.466 14.526 -23.396 460 HD1 PHE 61 HD1 PHE 61 -13.037 12.060 -23.668 461 HD2 PHE 61 HD2 PHE 61 -15.962 15.153 -23.668 462 HE1 PHE 61 HE1 PHE 61 -14.625 10.554 -24.793 463 HE2 PHE 61 HE2 PHE 61 -17.555 13.651 -24.792 464 HZ PHE 61 HZ PHE 61 -16.887 11.349 -25.355 465 H ASP 62 H ASP 62 -14.443 12.238 -20.630 466 HA ASP 62 HA ASP 62 -17.040 13.408 -20.252 467 HB2 ASP 62 2HB ASP 62 -16.096 10.671 -19.384 468 HB3 ASP 62 3HB ASP 62 -17.759 11.194 -19.634 469 H THR 63 H THR 63 -14.248 13.002 -18.334 470 HA THR 63 HA THR 63 -15.793 13.474 -15.871 471 HB THR 63 HB THR 63 -12.916 12.580 -15.961 472 HG1 THR 63 HG1 THR 63 -14.408 11.074 -17.036 473 HG21 THR 63 1HG2 THR 63 -15.070 12.422 -13.849 474 HG22 THR 63 2HG2 THR 63 -13.670 13.494 -13.841 475 HG23 THR 63 3HG2 THR 63 -13.447 11.751 -13.696 476 H GLN 64 H GLN 64 -13.424 14.763 -18.024 477 HA GLN 64 HA GLN 64 -12.833 16.947 -16.147 478 HB2 GLN 64 2HB GLN 64 -11.161 15.438 -17.816 479 HB3 GLN 64 3HB GLN 64 -11.279 17.017 -18.583 480 HG2 GLN 64 2HG GLN 64 -10.729 17.981 -16.288 481 HG3 GLN 64 3HG GLN 64 -10.259 16.340 -15.849 482 HE21 GLN 64 1HE2 GLN 64 -9.842 18.232 -18.816 483 HE22 GLN 64 2HE2 GLN 64 -8.122 18.084 -18.875 484 H LYS 65 H LYS 65 -15.256 16.548 -17.899 485 HA LYS 65 HA LYS 65 -15.274 18.275 -20.074 486 HB2 LYS 65 2HB LYS 65 -17.156 16.756 -18.686 487 HB3 LYS 65 3HB LYS 65 -17.754 18.406 -18.567 488 HG2 LYS 65 2HG LYS 65 -17.644 18.618 -21.003 489 HG3 LYS 65 3HG LYS 65 -17.064 16.954 -21.114 490 HD2 LYS 65 2HD LYS 65 -19.539 17.300 -19.569 491 HD3 LYS 65 3HD LYS 65 -19.674 17.697 -21.283 492 HE2 LYS 65 2HE LYS 65 -19.532 15.550 -21.897 493 HE3 LYS 65 3HE LYS 65 -18.196 15.234 -20.792 494 HZ1 LYS 65 1HZ LYS 65 -20.964 15.500 -19.800 495 HZ2 LYS 65 2HZ LYS 65 -19.643 14.746 -19.060 496 HZ3 LYS 65 3HZ LYS 65 -20.389 14.024 -20.396 497 H ALA 66 H ALA 66 -14.993 18.993 -16.751 498 HA ALA 66 HA ALA 66 -15.988 21.707 -16.980 499 HB1 ALA 66 1HB ALA 66 -16.168 20.204 -14.912 500 HB2 ALA 66 2HB ALA 66 -14.475 20.614 -14.632 501 HB3 ALA 66 3HB ALA 66 -15.696 21.887 -14.671 502 H ALA 67 H ALA 67 -13.160 20.139 -17.771 503 HA ALA 67 HA ALA 67 -11.325 22.247 -17.033 504 HB1 ALA 67 1HB ALA 67 -9.732 20.729 -17.394 505 HB2 ALA 67 2HB ALA 67 -11.040 19.562 -17.590 506 HB3 ALA 67 3HB ALA 67 -10.343 20.351 -19.005 507 H LEU 68 H LEU 68 -12.529 20.887 -20.103 508 HA LEU 68 HA LEU 68 -11.421 23.069 -21.623 509 HB2 LEU 68 2HB LEU 68 -12.863 21.926 -23.460 510 HB3 LEU 68 3HB LEU 68 -11.403 21.140 -22.862 511 HG LEU 68 HG LEU 68 -13.480 19.695 -23.222 512 HD11 LEU 68 1HD1 LEU 68 -12.138 18.352 -22.072 513 HD12 LEU 68 2HD1 LEU 68 -12.961 18.894 -20.609 514 HD13 LEU 68 3HD1 LEU 68 -11.484 19.699 -21.139 515 HD21 LEU 68 1HD2 LEU 68 -15.200 19.721 -21.642 516 HD22 LEU 68 2HD2 LEU 68 -14.940 21.424 -22.021 517 HD23 LEU 68 3HD2 LEU 68 -14.289 20.742 -20.529 518 H GLN 69 H GLN 69 -14.311 22.482 -19.926 519 HA GLN 69 HA GLN 69 -15.936 24.279 -21.514 520 HB2 GLN 69 2HB GLN 69 -17.006 22.357 -20.481 521 HB3 GLN 69 3HB GLN 69 -16.476 22.883 -18.889 522 HG2 GLN 69 2HG GLN 69 -18.281 24.132 -18.648 523 HG3 GLN 69 3HG GLN 69 -17.936 24.991 -20.149 524 HE21 GLN 69 1HE2 GLN 69 -19.560 24.942 -21.509 525 HE22 GLN 69 2HE2 GLN 69 -20.670 23.638 -21.735 526 H GLN 70 H GLN 70 -13.963 24.384 -18.657 527 HA GLN 70 HA GLN 70 -14.979 27.013 -17.905 528 HB2 GLN 70 2HB GLN 70 -13.006 25.128 -16.621 529 HB3 GLN 70 3HB GLN 70 -13.287 26.758 -16.023 530 HG2 GLN 70 2HG GLN 70 -15.599 26.243 -15.577 531 HG3 GLN 70 3HG GLN 70 -15.409 24.641 -16.289 532 HE21 GLN 70 1HE2 GLN 70 -16.382 24.950 -13.749 533 HE22 GLN 70 2HE2 GLN 70 -15.229 24.356 -12.609 534 H PHE 71 H PHE 71 -12.086 25.482 -19.196 535 HA PHE 71 HA PHE 71 -10.732 28.069 -19.351 536 HB2 PHE 71 2HB PHE 71 -9.805 25.233 -19.789 537 HB3 PHE 71 3HB PHE 71 -8.811 26.623 -20.212 538 HD1 PHE 71 HD1 PHE 71 -10.715 25.206 -17.341 539 HD2 PHE 71 HD2 PHE 71 -7.362 27.483 -18.643 540 HE1 PHE 71 HE1 PHE 71 -9.896 25.318 -15.024 541 HE2 PHE 71 HE2 PHE 71 -6.537 27.597 -16.328 542 HZ PHE 71 HZ PHE 71 -7.803 26.514 -14.515 543 H ARG 72 H ARG 72 -12.807 26.266 -21.191 544 HA ARG 72 HA ARG 72 -13.468 26.327 -23.366 545 HB2 ARG 72 2HB ARG 72 -13.215 28.830 -22.833 546 HB3 ARG 72 3HB ARG 72 -11.709 28.741 -23.736 547 HG2 ARG 72 2HG ARG 72 -13.384 27.594 -25.502 548 HG3 ARG 72 3HG ARG 72 -14.493 28.694 -24.683 549 HD2 ARG 72 2HD ARG 72 -13.655 30.428 -25.789 550 HD3 ARG 72 3HD ARG 72 -12.030 30.047 -25.219 551 HE ARG 72 HE ARG 72 -12.735 28.334 -27.349 552 HH11 ARG 72 1HH1 ARG 72 -11.847 31.634 -26.687 553 HH12 ARG 72 2HH1 ARG 72 -11.154 31.899 -28.252 554 HH21 ARG 72 1HH2 ARG 72 -11.826 28.670 -29.414 555 HH22 ARG 72 2HH2 ARG 72 -11.143 30.212 -29.803 556 H VAL 73 H VAL 73 -11.413 24.595 -22.844 557 HA VAL 73 HA VAL 73 -9.561 24.915 -25.108 558 HB VAL 73 HB VAL 73 -9.078 22.688 -23.252 559 HG11 VAL 73 1HG1 VAL 73 -7.663 24.090 -25.153 560 HG12 VAL 73 2HG1 VAL 73 -6.993 24.682 -23.632 561 HG13 VAL 73 3HG1 VAL 73 -6.987 22.954 -23.987 562 HG21 VAL 73 1HG2 VAL 73 -9.884 24.278 -21.626 563 HG22 VAL 73 2HG2 VAL 73 -8.130 24.153 -21.496 564 HG23 VAL 73 3HG2 VAL 73 -8.857 25.542 -22.302 565 H SER 74 H SER 74 -8.793 22.336 -25.524 566 HA SER 74 HA SER 74 -10.812 20.414 -25.712 567 HB2 SER 74 2HB SER 74 -10.953 20.687 -28.362 568 HB3 SER 74 3HB SER 74 -12.086 21.501 -27.283 569 HG SER 74 HG SER 74 -9.672 22.738 -28.052 570 H GLN 75 H GLN 75 -8.775 19.441 -24.996 571 HA GLN 75 HA GLN 75 -7.523 18.012 -27.114 572 HB2 GLN 75 2HB GLN 75 -6.299 20.472 -26.324 573 HB3 GLN 75 3HB GLN 75 -5.263 19.143 -25.820 574 HG2 GLN 75 2HG GLN 75 -4.477 19.035 -27.880 575 HG3 GLN 75 3HG GLN 75 -6.076 18.532 -28.427 576 HE21 GLN 75 1HE2 GLN 75 -4.435 21.526 -27.445 577 HE22 GLN 75 2HE2 GLN 75 -5.043 22.486 -28.746 578 H GLN 76 H GLN 76 -6.770 16.102 -26.387 579 HA GLN 76 HA GLN 76 -6.544 15.771 -23.468 580 HB2 GLN 76 2HB GLN 76 -7.456 13.768 -25.540 581 HB3 GLN 76 3HB GLN 76 -7.229 13.414 -23.833 582 HG2 GLN 76 2HG GLN 76 -9.520 13.749 -24.061 583 HG3 GLN 76 3HG GLN 76 -8.919 15.267 -23.394 584 HE21 GLN 76 1HE2 GLN 76 -10.995 16.044 -24.247 585 HE22 GLN 76 2HE2 GLN 76 -11.065 16.559 -25.895 586 H SER 77 H SER 77 -4.277 16.421 -23.824 587 HA SER 77 HA SER 77 -2.639 14.058 -24.285 588 HB2 SER 77 2HB SER 77 -2.905 15.787 -26.363 589 HB3 SER 77 3HB SER 77 -1.525 16.499 -25.527 590 HG SER 77 HG SER 77 -0.630 14.301 -25.562 591 H THR 78 H THR 78 -3.497 16.104 -22.144 592 HA THR 78 HA THR 78 -1.106 17.429 -21.334 593 HB THR 78 HB THR 78 -2.283 18.218 -19.501 594 HG1 THR 78 HG1 THR 78 -2.890 16.446 -18.386 595 HG21 THR 78 1HG2 THR 78 -3.533 18.335 -21.895 596 HG22 THR 78 2HG2 THR 78 -4.123 19.140 -20.441 597 HG23 THR 78 3HG2 THR 78 -4.790 17.579 -20.917 598 H LEU 79 H LEU 79 0.324 16.914 -19.680 599 HA LEU 79 HA LEU 79 0.068 14.363 -18.315 600 HB2 LEU 79 2HB LEU 79 1.177 13.563 -20.218 601 HB3 LEU 79 3HB LEU 79 2.212 14.987 -20.317 602 HG LEU 79 HG LEU 79 3.323 12.835 -19.596 603 HD11 LEU 79 1HD1 LEU 79 3.773 15.454 -18.873 604 HD12 LEU 79 2HD1 LEU 79 4.893 14.109 -18.663 605 HD13 LEU 79 3HD1 LEU 79 3.835 14.589 -17.337 606 HD21 LEU 79 1HD2 LEU 79 1.233 12.982 -17.621 607 HD22 LEU 79 2HD2 LEU 79 2.819 12.945 -16.851 608 HD23 LEU 79 3HD2 LEU 79 2.353 11.667 -17.974 609 H ILE 80 H ILE 80 0.979 14.385 -16.332 610 HA ILE 80 HA ILE 80 3.070 16.276 -15.670 611 HB ILE 80 HB ILE 80 0.308 16.485 -14.488 612 HG12 ILE 80 2HG1 ILE 80 1.158 19.009 -14.894 613 HG13 ILE 80 3HG1 ILE 80 2.092 18.188 -16.139 614 HG21 ILE 80 1HG2 ILE 80 2.940 17.366 -13.346 615 HG22 ILE 80 2HG2 ILE 80 1.428 18.167 -12.923 616 HG23 ILE 80 3HG2 ILE 80 1.648 16.454 -12.567 617 HD11 ILE 80 1HD1 ILE 80 0.283 18.514 -17.401 618 HD12 ILE 80 2HD1 ILE 80 -0.385 17.136 -16.525 619 HD13 ILE 80 3HD1 ILE 80 -0.763 18.778 -16.006 620 H LEU 81 H LEU 81 4.479 15.083 -14.585 621 HA LEU 81 HA LEU 81 3.538 12.830 -12.978 622 HB2 LEU 81 2HB LEU 81 5.659 13.123 -14.704 623 HB3 LEU 81 3HB LEU 81 6.419 13.265 -13.120 624 HG LEU 81 HG LEU 81 5.430 11.073 -12.504 625 HD11 LEU 81 1HD1 LEU 81 4.101 11.460 -15.062 626 HD12 LEU 81 2HD1 LEU 81 3.692 10.391 -13.721 627 HD13 LEU 81 3HD1 LEU 81 4.881 9.884 -14.922 628 HD21 LEU 81 1HD2 LEU 81 7.631 11.627 -14.133 629 HD22 LEU 81 2HD2 LEU 81 6.844 10.229 -14.865 630 HD23 LEU 81 3HD2 LEU 81 7.346 10.174 -13.175 631 H TYR 82 H TYR 82 2.930 13.490 -10.999 632 HA TYR 82 HA TYR 82 4.311 15.591 -9.597 633 HB2 TYR 82 2HB TYR 82 2.103 13.719 -8.721 634 HB3 TYR 82 3HB TYR 82 2.713 15.063 -7.761 635 HD1 TYR 82 HD1 TYR 82 0.097 14.120 -9.767 636 HD2 TYR 82 HD2 TYR 82 2.826 17.349 -9.285 637 HE1 TYR 82 HE1 TYR 82 -1.499 15.627 -10.875 638 HE2 TYR 82 HE2 TYR 82 1.237 18.865 -10.391 639 HH TYR 82 HH TYR 82 -0.944 19.087 -11.047 640 H ARG 83 H ARG 83 5.990 15.373 -8.278 641 HA ARG 83 HA ARG 83 6.616 12.686 -7.241 642 HB2 ARG 83 2HB ARG 83 8.151 14.092 -8.998 643 HB3 ARG 83 3HB ARG 83 8.836 14.611 -7.463 644 HG2 ARG 83 2HG ARG 83 8.734 11.959 -7.046 645 HG3 ARG 83 3HG ARG 83 8.943 11.990 -8.798 646 HD2 ARG 83 2HD ARG 83 11.032 12.884 -8.672 647 HD3 ARG 83 3HD ARG 83 10.678 13.775 -7.193 648 HE ARG 83 HE ARG 83 10.687 11.028 -6.622 649 HH11 ARG 83 1HH1 ARG 83 12.876 13.587 -7.507 650 HH12 ARG 83 2HH1 ARG 83 14.241 12.869 -6.717 651 HH21 ARG 83 1HH2 ARG 83 12.477 10.073 -5.579 652 HH22 ARG 83 2HH2 ARG 83 14.013 10.870 -5.621 653 H ASN 84 H ASN 84 5.782 12.833 -5.213 654 HA ASN 84 HA ASN 84 5.718 13.350 -2.997 655 HB2 ASN 84 2HB ASN 84 8.328 13.674 -3.631 656 HB3 ASN 84 3HB ASN 84 7.936 15.308 -3.104 657 HD21 ASN 84 1HD2 ASN 84 6.138 14.860 -1.115 658 HD22 ASN 84 2HD2 ASN 84 6.897 14.013 0.186 659 H GLY 85 H GLY 85 4.270 14.903 -4.976 660 HA2 GLY 85 2HA GLY 85 2.715 16.616 -4.728 661 HA3 GLY 85 3HA GLY 85 3.545 17.122 -3.264 662 H GLN 86 H GLN 86 5.209 16.657 -6.303 663 HA GLN 86 HA GLN 86 5.220 19.519 -6.847 664 HB2 GLN 86 2HB GLN 86 7.371 18.192 -5.513 665 HB3 GLN 86 3HB GLN 86 7.917 18.668 -7.116 666 HG2 GLN 86 2HG GLN 86 7.467 20.944 -6.702 667 HG3 GLN 86 3HG GLN 86 6.548 20.573 -5.244 668 HE21 GLN 86 1HE2 GLN 86 7.609 21.268 -3.540 669 HE22 GLN 86 2HE2 GLN 86 9.306 21.107 -3.258 670 H GLU 87 H GLU 87 5.035 19.862 -8.959 671 HA GLU 87 HA GLU 87 5.148 17.663 -10.800 672 HB2 GLU 87 2HB GLU 87 4.535 19.379 -12.494 673 HB3 GLU 87 3HB GLU 87 3.446 19.337 -11.115 674 HG2 GLU 87 2HG GLU 87 3.726 21.525 -10.952 675 HG3 GLU 87 3HG GLU 87 5.369 21.199 -10.404 676 H VAL 88 H VAL 88 6.956 16.933 -11.681 677 HA VAL 88 HA VAL 88 9.361 18.530 -11.716 678 HB VAL 88 HB VAL 88 8.853 15.742 -12.763 679 HG11 VAL 88 1HG1 VAL 88 11.494 15.814 -12.360 680 HG12 VAL 88 2HG1 VAL 88 10.751 16.225 -13.907 681 HG13 VAL 88 3HG1 VAL 88 11.230 17.503 -12.790 682 HG21 VAL 88 1HG2 VAL 88 10.104 15.051 -10.735 683 HG22 VAL 88 2HG2 VAL 88 10.074 16.728 -10.187 684 HG23 VAL 88 3HG2 VAL 88 8.565 15.834 -10.374 685 H ARG 89 H ARG 89 7.186 17.085 -14.118 686 HA ARG 89 HA ARG 89 8.076 19.083 -16.054 687 HB2 ARG 89 2HB ARG 89 8.547 16.181 -16.246 688 HB3 ARG 89 3HB ARG 89 7.844 16.910 -17.684 689 HG2 ARG 89 2HG ARG 89 10.379 17.812 -16.331 690 HG3 ARG 89 3HG ARG 89 10.284 16.825 -17.791 691 HD2 ARG 89 2HD ARG 89 10.280 18.718 -18.959 692 HD3 ARG 89 3HD ARG 89 8.666 19.025 -18.318 693 HE ARG 89 HE ARG 89 10.377 19.941 -16.388 694 HH11 ARG 89 1HH1 ARG 89 9.875 20.584 -19.773 695 HH12 ARG 89 2HH1 ARG 89 10.400 22.232 -19.672 696 HH21 ARG 89 1HH2 ARG 89 11.071 22.110 -16.242 697 HH22 ARG 89 2HH2 ARG 89 11.081 23.098 -17.663 698 H ARG 90 H ARG 90 6.595 19.395 -17.815 699 HA ARG 90 HA ARG 90 4.059 18.033 -17.802 700 HB2 ARG 90 2HB ARG 90 2.687 19.975 -17.304 701 HB3 ARG 90 3HB ARG 90 3.766 19.643 -15.956 702 HG2 ARG 90 2HG ARG 90 4.816 21.607 -16.152 703 HG3 ARG 90 3HG ARG 90 4.844 21.528 -17.915 704 HD2 ARG 90 2HD ARG 90 3.438 23.318 -17.555 705 HD3 ARG 90 3HD ARG 90 2.289 21.989 -17.698 706 HE ARG 90 HE ARG 90 3.131 22.532 -14.999 707 HH11 ARG 90 1HH1 ARG 90 0.856 23.311 -17.516 708 HH12 ARG 90 2HH1 ARG 90 -0.354 23.894 -16.422 709 HH21 ARG 90 1HH2 ARG 90 1.546 23.297 -13.548 710 HH22 ARG 90 2HH2 ARG 90 0.040 23.886 -14.165 711 H SER 91 H SER 91 2.871 18.376 -19.675 712 HA SER 91 HA SER 91 3.541 20.436 -21.549 713 HB2 SER 91 2HB SER 91 5.338 18.506 -21.710 714 HB3 SER 91 3HB SER 91 4.070 17.696 -22.629 715 HG SER 91 HG SER 91 4.012 19.568 -23.985 716 H ILE 92 H ILE 92 2.190 20.382 -23.458 717 HA ILE 92 HA ILE 92 0.003 18.457 -23.466 718 HB ILE 92 HB ILE 92 -0.724 20.333 -21.985 719 HG12 ILE 92 2HG1 ILE 92 -2.270 20.144 -24.578 720 HG13 ILE 92 3HG1 ILE 92 -2.311 18.928 -23.306 721 HG21 ILE 92 1HG2 ILE 92 -0.906 22.040 -24.438 722 HG22 ILE 92 2HG2 ILE 92 -0.993 22.512 -22.742 723 HG23 ILE 92 3HG2 ILE 92 0.551 22.035 -23.445 724 HD11 ILE 92 1HD1 ILE 92 -3.258 21.775 -23.120 725 HD12 ILE 92 2HD1 ILE 92 -4.247 20.314 -23.123 726 HD13 ILE 92 3HD1 ILE 92 -3.181 20.656 -21.760 727 H GLY 93 H GLY 93 -1.171 18.395 -25.436 728 HA2 GLY 93 2HA GLY 93 -1.571 18.822 -27.684 729 HA3 GLY 93 3HA GLY 93 -0.438 20.163 -27.600 730 H GLU 94 H GLU 94 -0.030 16.696 -26.912 731 HA GLU 94 HA GLU 94 1.398 15.139 -27.757 732 HB2 GLU 94 2HB GLU 94 0.272 15.818 -29.904 733 HB3 GLU 94 3HB GLU 94 1.609 16.925 -30.182 734 HG2 GLU 94 2HG GLU 94 2.971 14.651 -29.741 735 HG3 GLU 94 3HG GLU 94 1.489 13.997 -30.435 736 H THR 95 H THR 95 3.267 15.022 -26.710 737 HA THR 95 HA THR 95 5.509 16.630 -27.596 738 HB THR 95 HB THR 95 5.601 16.702 -24.734 739 HG1 THR 95 HG1 THR 95 3.194 16.743 -25.242 740 HG21 THR 95 1HG2 THR 95 6.018 18.428 -27.026 741 HG22 THR 95 2HG2 THR 95 6.803 18.446 -25.446 742 HG23 THR 95 3HG2 THR 95 5.276 19.295 -25.682 743 H SER 96 H SER 96 7.432 16.043 -25.893 744 HA SER 96 HA SER 96 7.339 13.270 -25.072 745 HB2 SER 96 2HB SER 96 9.687 13.376 -26.635 746 HB3 SER 96 3HB SER 96 8.246 12.402 -26.927 747 HG SER 96 HG SER 96 9.134 14.244 -28.477 748 HA PRO 97 HA PRO 97 11.577 15.134 -23.751 749 HB2 PRO 97 2HB PRO 97 12.256 17.573 -24.731 750 HB3 PRO 97 3HB PRO 97 12.648 16.062 -25.560 751 HG2 PRO 97 2HG PRO 97 10.405 17.976 -26.072 752 HG3 PRO 97 3HG PRO 97 11.454 17.145 -27.235 753 HD2 PRO 97 2HD PRO 97 8.945 16.297 -26.670 754 HD3 PRO 97 3HD PRO 97 10.257 15.180 -27.102 755 H SER 98 H SER 98 8.665 16.901 -23.963 756 HA SER 98 HA SER 98 9.381 18.674 -21.749 757 HB2 SER 98 2HB SER 98 8.219 19.699 -23.644 758 HB3 SER 98 3HB SER 98 6.881 18.565 -23.456 759 HG SER 98 HG SER 98 7.687 20.636 -21.705 760 H ALA 99 H ALA 99 6.680 16.504 -22.602 761 HA ALA 99 HA ALA 99 5.946 16.266 -19.803 762 HB1 ALA 99 1HB ALA 99 4.682 15.656 -22.387 763 HB2 ALA 99 2HB ALA 99 4.293 14.546 -21.073 764 HB3 ALA 99 3HB ALA 99 3.977 16.272 -20.892 765 H LEU 100 H LEU 100 6.519 13.879 -22.397 766 HA LEU 100 HA LEU 100 6.785 11.639 -20.819 767 HB2 LEU 100 2HB LEU 100 6.730 11.108 -23.032 768 HB3 LEU 100 3HB LEU 100 7.790 12.439 -23.490 769 HG LEU 100 HG LEU 100 9.706 11.127 -22.560 770 HD11 LEU 100 1HD1 LEU 100 8.688 8.533 -22.709 771 HD12 LEU 100 2HD1 LEU 100 7.548 9.428 -21.704 772 HD13 LEU 100 3HD1 LEU 100 9.257 9.380 -21.270 773 HD21 LEU 100 1HD2 LEU 100 8.684 9.279 -24.556 774 HD22 LEU 100 2HD2 LEU 100 10.070 10.368 -24.625 775 HD23 LEU 100 3HD2 LEU 100 8.456 10.968 -25.012 776 H SER 101 H SER 101 8.966 14.278 -21.180 777 HA SER 101 HA SER 101 11.411 13.110 -20.548 778 HB2 SER 101 2HB SER 101 11.775 15.292 -21.083 779 HB3 SER 101 3HB SER 101 10.251 15.827 -20.373 780 HG SER 101 HG SER 101 12.627 15.153 -18.971 781 H ASP 102 H ASP 102 8.627 13.533 -18.611 782 HA ASP 102 HA ASP 102 10.054 13.371 -16.089 783 HB2 ASP 102 2HB ASP 102 7.660 14.483 -16.778 784 HB3 ASP 102 3HB ASP 102 7.137 12.952 -16.082 785 H PHE 103 H PHE 103 8.420 11.272 -18.317 786 HA PHE 103 HA PHE 103 7.862 9.109 -16.622 787 HB2 PHE 103 2HB PHE 103 8.158 9.502 -19.546 788 HB3 PHE 103 3HB PHE 103 8.319 7.850 -18.959 789 HD1 PHE 103 HD1 PHE 103 6.058 10.749 -19.167 790 HD2 PHE 103 HD2 PHE 103 6.439 6.620 -18.206 791 HE1 PHE 103 HE1 PHE 103 3.607 10.545 -19.085 792 HE2 PHE 103 HE2 PHE 103 3.989 6.410 -18.123 793 HZ PHE 103 HZ PHE 103 2.570 8.373 -18.564 794 H LEU 104 H LEU 104 10.827 10.272 -17.937 795 HA LEU 104 HA LEU 104 12.226 7.781 -17.314 796 HB2 LEU 104 2HB LEU 104 13.989 8.536 -18.609 797 HB3 LEU 104 3HB LEU 104 12.573 9.159 -19.454 798 HG LEU 104 HG LEU 104 13.159 11.279 -17.897 799 HD11 LEU 104 1HD1 LEU 104 15.114 10.771 -16.863 800 HD12 LEU 104 2HD1 LEU 104 15.771 11.398 -18.374 801 HD13 LEU 104 3HD1 LEU 104 15.628 9.657 -18.130 802 HD21 LEU 104 1HD2 LEU 104 12.940 10.907 -20.477 803 HD22 LEU 104 2HD2 LEU 104 14.702 10.946 -20.428 804 HD23 LEU 104 3HD2 LEU 104 13.773 12.328 -19.847 805 H THR 105 H THR 105 11.314 10.531 -15.741 806 HA THR 105 HA THR 105 13.630 10.399 -13.920 807 HB THR 105 HB THR 105 11.956 12.836 -13.843 808 HG1 THR 105 HG1 THR 105 12.449 12.157 -16.174 809 HG21 THR 105 1HG2 THR 105 14.868 13.020 -14.140 810 HG22 THR 105 2HG2 THR 105 14.339 12.060 -12.758 811 HG23 THR 105 3HG2 THR 105 13.805 13.732 -12.927 812 H ARG 106 H ARG 106 10.581 9.395 -14.200 813 HA ARG 106 HA ARG 106 8.869 8.882 -12.784 814 HB2 ARG 106 2HB ARG 106 11.092 7.823 -11.768 815 HB3 ARG 106 3HB ARG 106 10.723 8.932 -10.454 816 HG2 ARG 106 2HG ARG 106 8.302 7.738 -10.915 817 HG3 ARG 106 3HG ARG 106 9.446 6.426 -11.205 818 HD2 ARG 106 2HD ARG 106 9.111 8.086 -8.719 819 HD3 ARG 106 3HD ARG 106 8.892 6.346 -8.902 820 HE ARG 106 HE ARG 106 11.344 7.726 -8.418 821 HH11 ARG 106 1HH1 ARG 106 9.948 4.915 -9.923 822 HH12 ARG 106 2HH1 ARG 106 11.398 3.973 -9.809 823 HH21 ARG 106 1HH2 ARG 106 13.259 6.497 -8.262 824 HH22 ARG 106 2HH2 ARG 106 13.280 4.874 -8.863 Start of MODEL 9 1 H GLN 1 H GLN 1 3.785 -5.886 -7.319 2 HA GLN 1 HA GLN 1 1.959 -4.366 -7.164 3 HB2 GLN 1 2HB GLN 1 2.484 -6.048 -5.118 4 HB3 GLN 1 3HB GLN 1 2.492 -4.515 -4.257 5 HG2 GLN 1 2HG GLN 1 0.243 -4.089 -5.426 6 HG3 GLN 1 3HG GLN 1 0.254 -5.822 -5.749 7 HE21 GLN 1 1HE2 GLN 1 -0.825 -3.535 -3.684 8 HE22 GLN 1 2HE2 GLN 1 -1.027 -4.489 -2.258 9 H ALA 2 H ALA 2 2.332 -2.306 -7.851 10 HA ALA 2 HA ALA 2 2.487 -0.255 -5.918 11 HB1 ALA 2 1HB ALA 2 4.764 -0.501 -5.660 12 HB2 ALA 2 2HB ALA 2 5.013 -0.963 -7.344 13 HB3 ALA 2 3HB ALA 2 4.680 0.719 -6.931 14 H ALA 3 H ALA 3 0.553 0.021 -7.286 15 HA ALA 3 HA ALA 3 0.940 2.109 -9.170 16 HB1 ALA 3 1HB ALA 3 -0.163 -0.411 -10.384 17 HB2 ALA 3 2HB ALA 3 0.285 1.090 -11.195 18 HB3 ALA 3 3HB ALA 3 1.535 0.049 -10.514 19 H SER 4 H SER 4 -1.238 2.595 -10.325 20 HA SER 4 HA SER 4 -3.668 1.642 -9.327 21 HB2 SER 4 2HB SER 4 -2.321 3.633 -7.633 22 HB3 SER 4 3HB SER 4 -3.982 4.050 -8.052 23 HG SER 4 HG SER 4 -3.248 1.507 -7.048 24 H VAL 5 H VAL 5 -4.521 1.921 -11.315 25 HA VAL 5 HA VAL 5 -4.292 4.509 -12.645 26 HB VAL 5 HB VAL 5 -5.443 3.376 -14.540 27 HG11 VAL 5 1HG1 VAL 5 -2.852 3.297 -13.867 28 HG12 VAL 5 2HG1 VAL 5 -3.195 1.566 -13.902 29 HG13 VAL 5 3HG1 VAL 5 -3.489 2.554 -15.334 30 HG21 VAL 5 1HG2 VAL 5 -5.054 0.673 -13.820 31 HG22 VAL 5 2HG2 VAL 5 -5.984 1.427 -12.525 32 HG23 VAL 5 3HG2 VAL 5 -6.571 1.495 -14.187 33 H GLU 6 H GLU 6 -5.837 6.000 -12.574 34 HA GLU 6 HA GLU 6 -8.460 5.242 -11.491 35 HB2 GLU 6 2HB GLU 6 -7.346 8.033 -11.767 36 HB3 GLU 6 3HB GLU 6 -8.733 7.521 -10.815 37 HG2 GLU 6 2HG GLU 6 -5.841 6.884 -10.293 38 HG3 GLU 6 3HG GLU 6 -6.886 7.947 -9.353 39 HA PRO 7 HA PRO 7 -9.796 5.758 -15.756 40 HB2 PRO 7 2HB PRO 7 -12.268 4.714 -15.343 41 HB3 PRO 7 3HB PRO 7 -10.826 3.714 -15.553 42 HG2 PRO 7 2HG PRO 7 -12.220 4.521 -13.030 43 HG3 PRO 7 3HG PRO 7 -11.558 2.940 -13.486 44 HD2 PRO 7 2HD PRO 7 -10.252 4.646 -11.838 45 HD3 PRO 7 3HD PRO 7 -9.402 3.546 -12.942 46 H TYR 8 H TYR 8 -9.875 8.032 -15.741 47 HA TYR 8 HA TYR 8 -10.839 10.093 -15.741 48 HB2 TYR 8 2HB TYR 8 -13.601 9.055 -15.608 49 HB3 TYR 8 3HB TYR 8 -12.867 10.166 -16.759 50 HD1 TYR 8 HD1 TYR 8 -10.924 8.897 -18.221 51 HD2 TYR 8 HD2 TYR 8 -14.382 7.095 -16.518 52 HE1 TYR 8 HE1 TYR 8 -10.798 7.092 -19.888 53 HE2 TYR 8 HE2 TYR 8 -14.265 5.285 -18.179 54 HH TYR 8 HH TYR 8 -13.272 4.562 -20.046 55 H SER 9 H SER 9 -10.342 10.977 -13.798 56 HA SER 9 HA SER 9 -12.429 11.388 -11.920 57 HB2 SER 9 2HB SER 9 -10.499 9.219 -11.393 58 HB3 SER 9 3HB SER 9 -10.729 10.351 -10.061 59 HG SER 9 HG SER 9 -12.301 8.875 -9.779 60 H ASP 10 H ASP 10 -11.749 13.513 -12.574 61 HA ASP 10 HA ASP 10 -9.210 14.591 -12.261 62 HB2 ASP 10 2HB ASP 10 -11.376 15.615 -13.282 63 HB3 ASP 10 3HB ASP 10 -11.663 16.210 -11.649 64 H ALA 11 H ALA 11 -11.752 14.078 -9.893 65 HA ALA 11 HA ALA 11 -10.667 15.613 -7.799 66 HB1 ALA 11 1HB ALA 11 -12.671 15.069 -7.010 67 HB2 ALA 11 2HB ALA 11 -12.821 13.726 -8.144 68 HB3 ALA 11 3HB ALA 11 -12.006 13.489 -6.598 69 H ALA 12 H ALA 12 -9.656 12.665 -9.181 70 HA ALA 12 HA ALA 12 -8.262 11.734 -6.810 71 HB1 ALA 12 1HB ALA 12 -8.174 10.641 -9.619 72 HB2 ALA 12 2HB ALA 12 -7.590 9.847 -8.156 73 HB3 ALA 12 3HB ALA 12 -9.316 10.137 -8.372 74 H PHE 13 H PHE 13 -7.541 13.305 -9.872 75 HA PHE 13 HA PHE 13 -4.802 13.059 -9.995 76 HB2 PHE 13 2HB PHE 13 -5.881 14.110 -11.817 77 HB3 PHE 13 3HB PHE 13 -6.626 15.324 -10.781 78 HD1 PHE 13 HD1 PHE 13 -5.855 17.389 -11.434 79 HD2 PHE 13 HD2 PHE 13 -3.099 14.164 -11.097 80 HE1 PHE 13 HE1 PHE 13 -3.997 18.932 -11.905 81 HE2 PHE 13 HE2 PHE 13 -1.236 15.701 -11.567 82 HZ PHE 13 HZ PHE 13 -1.684 18.089 -11.971 83 H THR 14 H THR 14 -6.729 15.147 -7.944 84 HA THR 14 HA THR 14 -4.438 16.606 -6.957 85 HB THR 14 HB THR 14 -6.294 17.334 -5.209 86 HG1 THR 14 HG1 THR 14 -7.700 15.633 -6.346 87 HG21 THR 14 1HG2 THR 14 -5.370 18.945 -6.661 88 HG22 THR 14 2HG2 THR 14 -7.108 19.007 -6.958 89 HG23 THR 14 3HG2 THR 14 -6.048 18.166 -8.089 90 H GLN 15 H GLN 15 -6.678 14.150 -5.711 91 HA GLN 15 HA GLN 15 -5.581 13.970 -3.129 92 HB2 GLN 15 2HB GLN 15 -7.057 12.266 -2.794 93 HB3 GLN 15 3HB GLN 15 -7.769 12.941 -4.253 94 HG2 GLN 15 2HG GLN 15 -7.729 10.735 -4.806 95 HG3 GLN 15 3HG GLN 15 -6.164 11.241 -5.440 96 HE21 GLN 15 1HE2 GLN 15 -5.506 9.045 -5.283 97 HE22 GLN 15 2HE2 GLN 15 -5.018 8.380 -3.765 98 H ALA 16 H ALA 16 -4.498 12.775 -6.173 99 HA ALA 16 HA ALA 16 -2.802 10.711 -5.109 100 HB1 ALA 16 1HB ALA 16 -2.042 11.627 -7.741 101 HB2 ALA 16 2HB ALA 16 -2.665 10.057 -7.230 102 HB3 ALA 16 3HB ALA 16 -3.782 11.363 -7.628 103 H GLN 17 H GLN 17 -2.432 14.069 -6.089 104 HA GLN 17 HA GLN 17 0.439 14.009 -5.703 105 HB2 GLN 17 2HB GLN 17 0.289 16.445 -6.230 106 HB3 GLN 17 3HB GLN 17 -0.372 15.402 -7.482 107 HG2 GLN 17 2HG GLN 17 -2.619 15.883 -6.758 108 HG3 GLN 17 3HG GLN 17 -2.011 16.829 -5.401 109 HE21 GLN 17 1HE2 GLN 17 -1.115 18.858 -5.781 110 HE22 GLN 17 2HE2 GLN 17 -1.369 19.709 -7.263 111 H ALA 18 H ALA 18 -2.393 14.753 -3.884 112 HA ALA 18 HA ALA 18 -1.078 16.400 -1.928 113 HB1 ALA 18 1HB ALA 18 -3.215 16.980 -1.683 114 HB2 ALA 18 2HB ALA 18 -3.786 15.515 -2.482 115 HB3 ALA 18 3HB ALA 18 -3.407 15.489 -0.760 116 H SER 19 H SER 19 -0.869 13.189 -2.593 117 HA SER 19 HA SER 19 -0.619 12.380 0.219 118 HB2 SER 19 2HB SER 19 -1.944 11.076 -1.681 119 HB3 SER 19 3HB SER 19 -0.343 10.415 -2.012 120 HG SER 19 HG SER 19 -1.196 10.470 0.642 121 H GLY 20 H GLY 20 1.231 13.399 -2.391 122 HA2 GLY 20 2HA GLY 20 3.516 13.642 -2.589 123 HA3 GLY 20 3HA GLY 20 3.681 12.911 -1.000 124 H ALA 21 H ALA 21 2.096 11.446 -3.784 125 HA ALA 21 HA ALA 21 4.277 9.466 -3.895 126 HB1 ALA 21 1HB ALA 21 1.840 8.299 -4.792 127 HB2 ALA 21 2HB ALA 21 2.846 7.841 -3.417 128 HB3 ALA 21 3HB ALA 21 1.566 9.038 -3.214 129 HA PRO 22 HA PRO 22 4.547 10.059 -8.234 130 HB2 PRO 22 2HB PRO 22 4.897 7.534 -9.168 131 HB3 PRO 22 3HB PRO 22 6.145 8.409 -8.274 132 HG2 PRO 22 2HG PRO 22 4.218 6.336 -7.299 133 HG3 PRO 22 3HG PRO 22 5.946 6.513 -6.942 134 HD2 PRO 22 2HD PRO 22 4.013 7.325 -5.227 135 HD3 PRO 22 3HD PRO 22 5.580 8.150 -5.360 136 H VAL 23 H VAL 23 2.962 10.602 -9.583 137 HA VAL 23 HA VAL 23 0.995 8.621 -10.398 138 HB VAL 23 HB VAL 23 -0.806 10.496 -10.109 139 HG11 VAL 23 1HG1 VAL 23 -1.593 8.929 -8.749 140 HG12 VAL 23 2HG1 VAL 23 0.032 8.274 -8.537 141 HG13 VAL 23 3HG1 VAL 23 -0.558 9.538 -7.458 142 HG21 VAL 23 1HG2 VAL 23 1.276 11.889 -9.082 143 HG22 VAL 23 2HG2 VAL 23 -0.415 12.201 -8.690 144 HG23 VAL 23 3HG2 VAL 23 0.572 11.214 -7.612 145 H LEU 24 H LEU 24 0.743 8.734 -12.526 146 HA LEU 24 HA LEU 24 1.598 11.170 -13.915 147 HB2 LEU 24 2HB LEU 24 2.597 8.916 -14.460 148 HB3 LEU 24 3HB LEU 24 1.026 8.475 -15.126 149 HG LEU 24 HG LEU 24 1.754 10.896 -16.359 150 HD11 LEU 24 1HD1 LEU 24 4.030 8.926 -16.246 151 HD12 LEU 24 2HD1 LEU 24 4.040 10.600 -15.694 152 HD13 LEU 24 3HD1 LEU 24 3.900 10.240 -17.415 153 HD21 LEU 24 1HD2 LEU 24 1.401 8.047 -17.130 154 HD22 LEU 24 2HD2 LEU 24 2.135 9.144 -18.300 155 HD23 LEU 24 3HD2 LEU 24 0.525 9.482 -17.663 156 H VAL 25 H VAL 25 0.334 12.089 -15.575 157 HA VAL 25 HA VAL 25 -2.524 11.368 -15.466 158 HB VAL 25 HB VAL 25 -1.412 14.133 -15.956 159 HG11 VAL 25 1HG1 VAL 25 -3.967 14.479 -15.176 160 HG12 VAL 25 2HG1 VAL 25 -3.469 14.332 -16.863 161 HG13 VAL 25 3HG1 VAL 25 -4.101 12.928 -16.003 162 HG21 VAL 25 1HG2 VAL 25 -2.338 14.618 -13.673 163 HG22 VAL 25 2HG2 VAL 25 -2.500 12.877 -13.442 164 HG23 VAL 25 3HG2 VAL 25 -0.906 13.589 -13.692 165 H ASP 26 H ASP 26 -3.523 10.963 -17.342 166 HA ASP 26 HA ASP 26 -2.349 11.909 -19.846 167 HB2 ASP 26 2HB ASP 26 -1.759 9.392 -19.031 168 HB3 ASP 26 3HB ASP 26 -3.254 9.095 -19.914 169 H VAL 27 H VAL 27 -4.029 13.171 -20.433 170 HA VAL 27 HA VAL 27 -6.758 12.474 -20.024 171 HB VAL 27 HB VAL 27 -5.788 14.499 -22.028 172 HG11 VAL 27 1HG1 VAL 27 -8.205 13.938 -21.928 173 HG12 VAL 27 2HG1 VAL 27 -8.222 14.477 -20.248 174 HG13 VAL 27 3HG1 VAL 27 -7.856 15.622 -21.539 175 HG21 VAL 27 1HG2 VAL 27 -5.496 14.502 -19.107 176 HG22 VAL 27 2HG2 VAL 27 -4.638 15.433 -20.335 177 HG23 VAL 27 3HG2 VAL 27 -6.227 15.959 -19.781 178 H TYR 28 H TYR 28 -8.327 11.884 -21.548 179 HA TYR 28 HA TYR 28 -7.434 11.077 -24.204 180 HB2 TYR 28 2HB TYR 28 -7.391 8.888 -23.762 181 HB3 TYR 28 3HB TYR 28 -7.758 9.219 -22.073 182 HD1 TYR 28 HD1 TYR 28 -10.065 9.094 -21.255 183 HD2 TYR 28 HD2 TYR 28 -9.100 8.135 -25.286 184 HE1 TYR 28 HE1 TYR 28 -12.251 7.994 -21.510 185 HE2 TYR 28 HE2 TYR 28 -11.283 7.034 -25.553 186 HH TYR 28 HH TYR 28 -13.624 7.278 -24.379 187 H ALA 29 H ALA 29 -9.172 10.686 -25.685 188 HA ALA 29 HA ALA 29 -11.864 11.366 -24.806 189 HB1 ALA 29 1HB ALA 29 -10.732 12.904 -27.113 190 HB2 ALA 29 2HB ALA 29 -12.159 13.249 -26.135 191 HB3 ALA 29 3HB ALA 29 -10.548 13.484 -25.458 192 H ASP 30 H ASP 30 -13.286 11.476 -26.972 193 HA ASP 30 HA ASP 30 -13.815 9.069 -27.919 194 HB2 ASP 30 2HB ASP 30 -13.844 11.704 -29.333 195 HB3 ASP 30 3HB ASP 30 -14.223 10.247 -30.246 196 H TRP 31 H TRP 31 -11.903 11.043 -30.159 197 HA TRP 31 HA TRP 31 -9.784 9.119 -30.334 198 HB2 TRP 31 2HB TRP 31 -11.806 8.203 -31.698 199 HB3 TRP 31 3HB TRP 31 -11.360 9.441 -32.870 200 HD1 TRP 31 HD1 TRP 31 -9.061 7.034 -30.868 201 HE1 TRP 31 HE1 TRP 31 -7.588 5.767 -32.556 202 HE3 TRP 31 HE3 TRP 31 -10.996 8.918 -35.208 203 HZ2 TRP 31 HZ2 TRP 31 -7.286 5.590 -35.357 204 HZ3 TRP 31 HZ3 TRP 31 -10.059 8.148 -37.349 205 HH2 TRP 31 HH2 TRP 31 -8.242 6.519 -37.420 206 H CYS 32 H CYS 32 -9.650 11.756 -29.715 207 HA CYS 32 HA CYS 32 -9.268 13.516 -31.874 208 HB2 CYS 32 2HB CYS 32 -8.724 13.510 -28.993 209 HB3 CYS 32 3HB CYS 32 -7.575 14.463 -29.923 210 HG CYS 32 HG CYS 32 -9.322 16.353 -29.158 211 HA PRO 33 HA PRO 33 -5.300 12.625 -33.515 212 HB2 PRO 33 2HB PRO 33 -4.103 15.056 -33.683 213 HB3 PRO 33 3HB PRO 33 -5.436 14.567 -34.735 214 HG2 PRO 33 2HG PRO 33 -5.494 16.266 -32.271 215 HG3 PRO 33 3HG PRO 33 -6.337 16.503 -33.813 216 HD2 PRO 33 2HD PRO 33 -7.560 15.476 -31.626 217 HD3 PRO 33 3HD PRO 33 -7.999 14.998 -33.279 218 H VAL 34 H VAL 34 -5.484 14.166 -30.436 219 HA VAL 34 HA VAL 34 -2.664 14.039 -29.863 220 HB VAL 34 HB VAL 34 -3.830 14.291 -27.418 221 HG11 VAL 34 1HG1 VAL 34 -2.164 15.795 -28.155 222 HG12 VAL 34 2HG1 VAL 34 -3.169 16.373 -29.486 223 HG13 VAL 34 3HG1 VAL 34 -3.589 16.778 -27.821 224 HG21 VAL 34 1HG2 VAL 34 -5.809 15.583 -27.536 225 HG22 VAL 34 2HG2 VAL 34 -5.680 15.756 -29.287 226 HG23 VAL 34 3HG2 VAL 34 -6.074 14.188 -28.583 227 H CYS 35 H CYS 35 -5.517 12.386 -28.493 228 HA CYS 35 HA CYS 35 -3.977 10.455 -27.097 229 HB2 CYS 35 2HB CYS 35 -6.144 10.873 -26.249 230 HB3 CYS 35 3HB CYS 35 -6.893 10.645 -27.825 231 HG CYS 35 HG CYS 35 -7.153 8.047 -27.741 232 H LYS 36 H LYS 36 -5.320 10.616 -30.307 233 HA LYS 36 HA LYS 36 -5.092 7.836 -30.901 234 HB2 LYS 36 2HB LYS 36 -6.620 9.162 -32.191 235 HB3 LYS 36 3HB LYS 36 -5.344 10.278 -32.659 236 HG2 LYS 36 2HG LYS 36 -4.889 7.472 -33.406 237 HG3 LYS 36 3HG LYS 36 -6.249 8.263 -34.206 238 HD2 LYS 36 2HD LYS 36 -4.840 9.989 -35.059 239 HD3 LYS 36 3HD LYS 36 -3.482 9.449 -34.069 240 HE2 LYS 36 2HE LYS 36 -2.865 7.940 -35.590 241 HE3 LYS 36 3HE LYS 36 -4.508 7.322 -35.746 242 HZ1 LYS 36 1HZ LYS 36 -4.968 9.267 -37.205 243 HZ2 LYS 36 2HZ LYS 36 -3.848 8.173 -37.844 244 HZ3 LYS 36 3HZ LYS 36 -3.316 9.632 -37.174 245 H ARG 37 H ARG 37 -2.983 10.625 -31.250 246 HA ARG 37 HA ARG 37 -0.976 9.081 -32.672 247 HB2 ARG 37 2HB ARG 37 -1.095 11.951 -31.747 248 HB3 ARG 37 3HB ARG 37 0.334 11.249 -32.495 249 HG2 ARG 37 2HG ARG 37 -0.944 10.768 -34.513 250 HG3 ARG 37 3HG ARG 37 -2.390 11.448 -33.763 251 HD2 ARG 37 2HD ARG 37 -1.477 13.623 -33.740 252 HD3 ARG 37 3HD ARG 37 0.146 13.027 -34.086 253 HE ARG 37 HE ARG 37 -1.949 13.557 -35.983 254 HH11 ARG 37 1HH1 ARG 37 0.979 11.778 -35.366 255 HH12 ARG 37 2HH1 ARG 37 1.369 11.585 -37.043 256 HH21 ARG 37 1HH2 ARG 37 -1.446 13.309 -38.194 257 HH22 ARG 37 2HH2 ARG 37 -0.010 12.457 -38.650 258 H GLN 38 H GLN 38 -1.743 9.998 -29.446 259 HA GLN 38 HA GLN 38 0.929 9.604 -28.420 260 HB2 GLN 38 2HB GLN 38 -0.510 11.233 -27.337 261 HB3 GLN 38 3HB GLN 38 -1.719 9.996 -27.018 262 HG2 GLN 38 2HG GLN 38 -0.636 9.212 -25.220 263 HG3 GLN 38 3HG GLN 38 0.953 9.417 -25.956 264 HE21 GLN 38 1HE2 GLN 38 2.189 10.856 -25.008 265 HE22 GLN 38 2HE2 GLN 38 1.656 12.243 -24.128 266 H GLU 39 H GLU 39 -1.879 7.696 -29.009 267 HA GLU 39 HA GLU 39 -1.564 5.655 -27.130 268 HB2 GLU 39 2HB GLU 39 -2.995 4.344 -28.492 269 HB3 GLU 39 3HB GLU 39 -3.512 6.010 -28.707 270 HG2 GLU 39 2HG GLU 39 -3.472 5.487 -30.880 271 HG3 GLU 39 3HG GLU 39 -1.742 5.786 -30.729 272 H ARG 40 H ARG 40 0.204 6.369 -30.025 273 HA ARG 40 HA ARG 40 1.391 3.779 -30.314 274 HB2 ARG 40 2HB ARG 40 1.295 5.051 -32.294 275 HB3 ARG 40 3HB ARG 40 1.948 6.482 -31.507 276 HG2 ARG 40 2HG ARG 40 3.719 4.138 -31.505 277 HG3 ARG 40 3HG ARG 40 3.373 4.830 -33.092 278 HD2 ARG 40 2HD ARG 40 3.883 7.087 -31.790 279 HD3 ARG 40 3HD ARG 40 4.826 5.993 -30.778 280 HE ARG 40 HE ARG 40 6.349 5.799 -32.474 281 HH11 ARG 40 1HH1 ARG 40 3.398 7.141 -33.744 282 HH12 ARG 40 2HH1 ARG 40 4.072 7.484 -35.303 283 HH21 ARG 40 1HH2 ARG 40 7.247 6.245 -34.522 284 HH22 ARG 40 2HH2 ARG 40 6.261 6.973 -35.745 285 H GLU 41 H GLU 41 2.182 6.726 -28.613 286 HA GLU 41 HA GLU 41 4.878 5.897 -28.003 287 HB2 GLU 41 2HB GLU 41 3.164 8.232 -27.202 288 HB3 GLU 41 3HB GLU 41 4.698 7.922 -26.401 289 HG2 GLU 41 2HG GLU 41 5.817 8.019 -28.606 290 HG3 GLU 41 3HG GLU 41 4.271 8.461 -29.330 291 H LEU 42 H LEU 42 1.897 5.003 -26.882 292 HA LEU 42 HA LEU 42 2.172 4.934 -24.103 293 HB2 LEU 42 2HB LEU 42 0.045 4.483 -24.975 294 HB3 LEU 42 3HB LEU 42 0.659 3.232 -26.054 295 HG LEU 42 HG LEU 42 1.088 1.807 -24.059 296 HD11 LEU 42 1HD1 LEU 42 0.723 2.474 -21.948 297 HD12 LEU 42 2HD1 LEU 42 -0.722 3.389 -22.377 298 HD13 LEU 42 3HD1 LEU 42 0.875 4.097 -22.622 299 HD21 LEU 42 1HD2 LEU 42 -0.865 1.290 -25.236 300 HD22 LEU 42 2HD2 LEU 42 -1.680 2.763 -24.713 301 HD23 LEU 42 3HD2 LEU 42 -1.398 1.456 -23.562 302 H THR 43 H THR 43 3.802 3.165 -26.524 303 HA THR 43 HA THR 43 4.447 0.871 -24.921 304 HB THR 43 HB THR 43 6.368 1.135 -26.977 305 HG1 THR 43 HG1 THR 43 4.621 1.287 -28.720 306 HG21 THR 43 1HG2 THR 43 4.081 -0.584 -26.282 307 HG22 THR 43 2HG2 THR 43 5.721 -1.017 -26.767 308 HG23 THR 43 3HG2 THR 43 4.525 -0.583 -27.988 309 HA PRO 44 HA PRO 44 8.786 2.943 -24.616 310 HB2 PRO 44 2HB PRO 44 9.074 5.444 -25.632 311 HB3 PRO 44 3HB PRO 44 9.327 3.981 -26.593 312 HG2 PRO 44 2HG PRO 44 6.930 5.770 -26.460 313 HG3 PRO 44 3HG PRO 44 7.700 5.035 -27.878 314 HD2 PRO 44 2HD PRO 44 5.457 4.022 -26.749 315 HD3 PRO 44 3HD PRO 44 6.677 2.999 -27.535 316 H LEU 45 H LEU 45 6.102 5.257 -24.485 317 HA LEU 45 HA LEU 45 7.140 6.823 -22.373 318 HB2 LEU 45 2HB LEU 45 5.397 7.649 -23.836 319 HB3 LEU 45 3HB LEU 45 4.300 6.385 -23.283 320 HG LEU 45 HG LEU 45 5.268 8.022 -21.089 321 HD11 LEU 45 1HD1 LEU 45 3.409 9.538 -22.821 322 HD12 LEU 45 2HD1 LEU 45 5.115 9.546 -23.267 323 HD13 LEU 45 3HD1 LEU 45 4.618 10.112 -21.672 324 HD21 LEU 45 1HD2 LEU 45 2.797 8.228 -20.732 325 HD22 LEU 45 2HD2 LEU 45 3.400 6.572 -20.806 326 HD23 LEU 45 3HD2 LEU 45 2.570 7.273 -22.197 327 H PHE 46 H PHE 46 5.511 3.778 -22.465 328 HA PHE 46 HA PHE 46 5.243 3.822 -19.532 329 HB2 PHE 46 2HB PHE 46 3.163 3.459 -20.996 330 HB3 PHE 46 3HB PHE 46 3.845 1.877 -21.360 331 HD1 PHE 46 HD1 PHE 46 2.780 4.046 -18.542 332 HD2 PHE 46 HD2 PHE 46 3.496 0.084 -19.923 333 HE1 PHE 46 HE1 PHE 46 1.790 3.151 -16.476 334 HE2 PHE 46 HE2 PHE 46 2.506 -0.818 -17.859 335 HZ PHE 46 HZ PHE 46 1.650 0.716 -16.133 336 H ALA 47 H ALA 47 7.509 3.057 -21.505 337 HA ALA 47 HA ALA 47 7.974 0.318 -20.546 338 HB1 ALA 47 1HB ALA 47 8.447 0.030 -22.716 339 HB2 ALA 47 2HB ALA 47 8.658 1.759 -22.999 340 HB3 ALA 47 3HB ALA 47 9.982 0.807 -22.328 341 H GLN 48 H GLN 48 8.634 3.374 -19.619 342 HA GLN 48 HA GLN 48 11.411 3.335 -19.107 343 HB2 GLN 48 2HB GLN 48 9.277 4.834 -17.581 344 HB3 GLN 48 3HB GLN 48 10.994 5.213 -17.630 345 HG2 GLN 48 2HG GLN 48 9.057 5.373 -19.927 346 HG3 GLN 48 3HG GLN 48 9.761 6.727 -19.044 347 HE21 GLN 48 1HE2 GLN 48 9.976 6.559 -21.767 348 HE22 GLN 48 2HE2 GLN 48 11.618 6.252 -22.203 349 HA PRO 49 HA PRO 49 11.789 0.673 -15.635 350 HB2 PRO 49 2HB PRO 49 13.890 1.823 -14.357 351 HB3 PRO 49 3HB PRO 49 14.062 0.915 -15.864 352 HG2 PRO 49 2HG PRO 49 13.922 3.875 -15.442 353 HG3 PRO 49 3HG PRO 49 14.994 2.946 -16.506 354 HD2 PRO 49 2HD PRO 49 12.789 4.226 -17.417 355 HD3 PRO 49 3HD PRO 49 13.382 2.716 -18.137 356 H ALA 50 H ALA 50 11.021 3.989 -15.292 357 HA ALA 50 HA ALA 50 10.662 3.816 -12.402 358 HB1 ALA 50 1HB ALA 50 10.678 6.077 -12.358 359 HB2 ALA 50 2HB ALA 50 11.498 5.867 -13.906 360 HB3 ALA 50 3HB ALA 50 9.771 6.224 -13.864 361 H GLN 51 H GLN 51 8.912 3.103 -15.155 362 HA GLN 51 HA GLN 51 6.327 4.005 -14.412 363 HB2 GLN 51 2HB GLN 51 5.524 2.783 -16.239 364 HB3 GLN 51 3HB GLN 51 7.154 3.234 -16.720 365 HG2 GLN 51 2HG GLN 51 7.362 1.081 -17.261 366 HG3 GLN 51 3HG GLN 51 7.602 0.839 -15.531 367 HE21 GLN 51 1HE2 GLN 51 6.668 -1.165 -17.187 368 HE22 GLN 51 2HE2 GLN 51 5.028 -1.521 -16.777 369 H ARG 52 H ARG 52 8.305 1.592 -13.156 370 HA ARG 52 HA ARG 52 6.198 -0.213 -12.353 371 HB2 ARG 52 2HB ARG 52 8.324 -1.209 -12.780 372 HB3 ARG 52 3HB ARG 52 9.144 -0.068 -11.722 373 HG2 ARG 52 2HG ARG 52 7.116 -1.506 -10.276 374 HG3 ARG 52 3HG ARG 52 8.223 -2.619 -11.081 375 HD2 ARG 52 2HD ARG 52 9.390 -0.301 -9.639 376 HD3 ARG 52 3HD ARG 52 8.723 -1.617 -8.674 377 HE ARG 52 HE ARG 52 11.133 -1.661 -10.230 378 HH11 ARG 52 1HH1 ARG 52 8.578 -3.600 -8.875 379 HH12 ARG 52 2HH1 ARG 52 9.525 -5.050 -8.830 380 HH21 ARG 52 1HH2 ARG 52 12.390 -3.564 -10.177 381 HH22 ARG 52 2HH2 ARG 52 11.693 -5.028 -9.570 382 H ASP 53 H ASP 53 8.076 2.389 -10.929 383 HA ASP 53 HA ASP 53 6.733 2.002 -8.355 384 HB2 ASP 53 2HB ASP 53 9.258 3.248 -9.229 385 HB3 ASP 53 3HB ASP 53 8.395 4.129 -7.971 386 H LEU 54 H LEU 54 6.036 3.483 -11.145 387 HA LEU 54 HA LEU 54 4.602 5.668 -9.791 388 HB2 LEU 54 2HB LEU 54 6.198 6.860 -10.954 389 HB3 LEU 54 3HB LEU 54 6.231 5.711 -12.290 390 HG LEU 54 HG LEU 54 3.936 6.573 -12.918 391 HD11 LEU 54 1HD1 LEU 54 3.489 8.911 -12.102 392 HD12 LEU 54 2HD1 LEU 54 4.686 8.616 -10.841 393 HD13 LEU 54 3HD1 LEU 54 3.228 7.628 -10.920 394 HD21 LEU 54 1HD2 LEU 54 6.545 7.724 -13.316 395 HD22 LEU 54 2HD2 LEU 54 5.296 8.966 -13.400 396 HD23 LEU 54 3HD2 LEU 54 5.208 7.553 -14.453 397 H ARG 55 H ARG 55 2.489 5.928 -10.315 398 HA ARG 55 HA ARG 55 1.318 3.882 -12.045 399 HB2 ARG 55 2HB ARG 55 -0.773 4.363 -10.966 400 HB3 ARG 55 3HB ARG 55 0.461 4.207 -9.723 401 HG2 ARG 55 2HG ARG 55 0.628 6.691 -9.671 402 HG3 ARG 55 3HG ARG 55 -0.745 6.752 -10.778 403 HD2 ARG 55 2HD ARG 55 -1.931 6.875 -8.862 404 HD3 ARG 55 3HD ARG 55 -1.745 5.122 -8.888 405 HE ARG 55 HE ARG 55 0.456 6.017 -7.549 406 HH11 ARG 55 1HH1 ARG 55 -2.981 6.414 -7.167 407 HH12 ARG 55 2HH1 ARG 55 -2.902 6.580 -5.444 408 HH21 ARG 55 1HH2 ARG 55 0.574 6.234 -5.282 409 HH22 ARG 55 2HH2 ARG 55 -0.879 6.478 -4.373 410 H VAL 56 H VAL 56 -0.832 4.751 -13.124 411 HA VAL 56 HA VAL 56 -0.428 7.395 -14.300 412 HB VAL 56 HB VAL 56 0.705 6.096 -15.918 413 HG11 VAL 56 1HG1 VAL 56 -0.168 4.049 -16.888 414 HG12 VAL 56 2HG1 VAL 56 -0.057 3.893 -15.134 415 HG13 VAL 56 3HG1 VAL 56 -1.621 4.175 -15.898 416 HG21 VAL 56 1HG2 VAL 56 -1.070 7.694 -16.733 417 HG22 VAL 56 2HG2 VAL 56 -0.577 6.449 -17.880 418 HG23 VAL 56 3HG2 VAL 56 -2.097 6.286 -17.001 419 H PHE 57 H PHE 57 -2.287 8.431 -14.066 420 HA PHE 57 HA PHE 57 -4.791 6.889 -14.152 421 HB2 PHE 57 2HB PHE 57 -5.443 8.058 -12.360 422 HB3 PHE 57 3HB PHE 57 -3.844 8.795 -12.309 423 HD1 PHE 57 HD1 PHE 57 -3.476 11.029 -13.112 424 HD2 PHE 57 HD2 PHE 57 -7.322 9.224 -13.368 425 HE1 PHE 57 HE1 PHE 57 -4.473 13.228 -13.587 426 HE2 PHE 57 HE2 PHE 57 -8.325 11.419 -13.844 427 HZ PHE 57 HZ PHE 57 -6.900 13.425 -13.955 428 H LYS 58 H LYS 58 -6.180 7.200 -15.765 429 HA LYS 58 HA LYS 58 -5.596 9.296 -17.717 430 HB2 LYS 58 2HB LYS 58 -7.046 6.692 -17.785 431 HB3 LYS 58 3HB LYS 58 -7.534 7.937 -18.926 432 HG2 LYS 58 2HG LYS 58 -5.504 7.906 -20.032 433 HG3 LYS 58 3HG LYS 58 -4.653 7.193 -18.660 434 HD2 LYS 58 2HD LYS 58 -5.386 5.066 -19.138 435 HD3 LYS 58 3HD LYS 58 -6.832 5.638 -19.973 436 HE2 LYS 58 2HE LYS 58 -4.885 6.644 -21.566 437 HE3 LYS 58 3HE LYS 58 -4.112 5.168 -20.992 438 HZ1 LYS 58 1HZ LYS 58 -5.383 3.958 -22.323 439 HZ2 LYS 58 2HZ LYS 58 -5.953 5.387 -23.026 440 HZ3 LYS 58 3HZ LYS 58 -6.803 4.675 -21.749 441 H VAL 59 H VAL 59 -7.004 10.905 -18.259 442 HA VAL 59 HA VAL 59 -9.509 11.057 -16.711 443 HB VAL 59 HB VAL 59 -8.055 12.672 -15.742 444 HG11 VAL 59 1HG1 VAL 59 -6.426 12.705 -17.623 445 HG12 VAL 59 2HG1 VAL 59 -7.522 13.777 -18.496 446 HG13 VAL 59 3HG1 VAL 59 -6.798 14.302 -16.975 447 HG21 VAL 59 1HG2 VAL 59 -9.798 14.149 -17.709 448 HG22 VAL 59 2HG2 VAL 59 -10.379 13.396 -16.224 449 HG23 VAL 59 3HG2 VAL 59 -9.233 14.734 -16.145 450 H ASN 60 H ASN 60 -11.206 10.944 -18.013 451 HA ASN 60 HA ASN 60 -10.954 11.690 -20.816 452 HB2 ASN 60 2HB ASN 60 -12.035 9.561 -20.286 453 HB3 ASN 60 3HB ASN 60 -13.238 10.398 -19.309 454 HD21 ASN 60 1HD2 ASN 60 -14.985 9.757 -20.493 455 HD22 ASN 60 2HD2 ASN 60 -15.287 10.295 -22.107 456 H PHE 61 H PHE 61 -12.395 13.136 -21.859 457 HA PHE 61 HA PHE 61 -12.809 15.562 -20.574 458 HB2 PHE 61 2HB PHE 61 -13.966 16.270 -22.529 459 HB3 PHE 61 3HB PHE 61 -12.743 15.125 -23.070 460 HD1 PHE 61 HD1 PHE 61 -16.322 15.695 -22.578 461 HD2 PHE 61 HD2 PHE 61 -13.356 12.979 -23.970 462 HE1 PHE 61 HE1 PHE 61 -18.066 14.373 -23.703 463 HE2 PHE 61 HE2 PHE 61 -15.095 11.653 -25.098 464 HZ PHE 61 HZ PHE 61 -17.453 12.350 -24.966 465 H ASP 62 H ASP 62 -14.667 12.701 -20.446 466 HA ASP 62 HA ASP 62 -17.205 13.845 -19.865 467 HB2 ASP 62 2HB ASP 62 -16.002 11.117 -19.482 468 HB3 ASP 62 3HB ASP 62 -17.595 11.499 -18.836 469 H THR 63 H THR 63 -14.337 13.407 -18.044 470 HA THR 63 HA THR 63 -15.790 13.906 -15.532 471 HB THR 63 HB THR 63 -12.936 12.953 -15.760 472 HG1 THR 63 HG1 THR 63 -14.531 11.462 -16.685 473 HG21 THR 63 1HG2 THR 63 -14.944 13.107 -13.521 474 HG22 THR 63 2HG2 THR 63 -13.353 13.862 -13.614 475 HG23 THR 63 3HG2 THR 63 -13.490 12.114 -13.428 476 H GLN 64 H GLN 64 -13.315 15.079 -17.687 477 HA GLN 64 HA GLN 64 -12.788 17.336 -15.879 478 HB2 GLN 64 2HB GLN 64 -10.769 17.731 -17.203 479 HB3 GLN 64 3HB GLN 64 -10.800 16.090 -16.573 480 HG2 GLN 64 2HG GLN 64 -11.255 15.167 -18.667 481 HG3 GLN 64 3HG GLN 64 -11.762 16.716 -19.338 482 HE21 GLN 64 1HE2 GLN 64 -10.382 17.334 -20.830 483 HE22 GLN 64 2HE2 GLN 64 -8.660 17.235 -20.732 484 H LYS 65 H LYS 65 -15.133 16.947 -17.692 485 HA LYS 65 HA LYS 65 -14.991 18.542 -19.968 486 HB2 LYS 65 2HB LYS 65 -16.989 17.175 -18.569 487 HB3 LYS 65 3HB LYS 65 -17.531 18.848 -18.603 488 HG2 LYS 65 2HG LYS 65 -16.602 18.248 -21.192 489 HG3 LYS 65 3HG LYS 65 -17.601 16.888 -20.674 490 HD2 LYS 65 2HD LYS 65 -19.280 18.700 -19.924 491 HD3 LYS 65 3HD LYS 65 -18.348 19.778 -20.967 492 HE2 LYS 65 2HE LYS 65 -19.680 19.062 -22.614 493 HE3 LYS 65 3HE LYS 65 -18.729 17.578 -22.562 494 HZ1 LYS 65 1HZ LYS 65 -20.475 16.452 -21.827 495 HZ2 LYS 65 2HZ LYS 65 -21.430 17.815 -22.127 496 HZ3 LYS 65 3HZ LYS 65 -20.776 17.563 -20.587 497 H ALA 66 H ALA 66 -14.765 19.439 -16.699 498 HA ALA 66 HA ALA 66 -15.687 22.162 -17.098 499 HB1 ALA 66 1HB ALA 66 -14.289 21.084 -14.664 500 HB2 ALA 66 2HB ALA 66 -15.368 22.475 -14.782 501 HB3 ALA 66 3HB ALA 66 -16.011 20.842 -14.961 502 H ALA 67 H ALA 67 -12.913 20.499 -17.799 503 HA ALA 67 HA ALA 67 -11.028 22.591 -17.112 504 HB1 ALA 67 1HB ALA 67 -10.168 20.455 -18.943 505 HB2 ALA 67 2HB ALA 67 -9.410 21.068 -17.472 506 HB3 ALA 67 3HB ALA 67 -10.743 19.918 -17.365 507 H LEU 68 H LEU 68 -12.252 21.101 -20.108 508 HA LEU 68 HA LEU 68 -11.016 23.112 -21.755 509 HB2 LEU 68 2HB LEU 68 -12.524 21.956 -23.524 510 HB3 LEU 68 3HB LEU 68 -11.127 21.107 -22.865 511 HG LEU 68 HG LEU 68 -13.301 19.794 -23.153 512 HD11 LEU 68 1HD1 LEU 68 -12.838 19.141 -20.481 513 HD12 LEU 68 2HD1 LEU 68 -11.306 19.775 -21.079 514 HD13 LEU 68 3HD1 LEU 68 -12.083 18.424 -21.904 515 HD21 LEU 68 1HD2 LEU 68 -15.014 20.035 -21.577 516 HD22 LEU 68 2HD2 LEU 68 -14.645 21.685 -22.081 517 HD23 LEU 68 3HD2 LEU 68 -14.038 21.076 -20.541 518 H GLN 69 H GLN 69 -13.936 22.824 -20.033 519 HA GLN 69 HA GLN 69 -15.439 24.623 -21.735 520 HB2 GLN 69 2HB GLN 69 -16.005 23.162 -19.180 521 HB3 GLN 69 3HB GLN 69 -17.048 24.484 -19.685 522 HG2 GLN 69 2HG GLN 69 -16.461 22.418 -21.710 523 HG3 GLN 69 3HG GLN 69 -17.477 21.936 -20.352 524 HE21 GLN 69 1HE2 GLN 69 -19.565 22.273 -20.568 525 HE22 GLN 69 2HE2 GLN 69 -20.310 23.399 -21.645 526 H GLN 70 H GLN 70 -13.418 24.785 -18.929 527 HA GLN 70 HA GLN 70 -14.275 27.510 -18.321 528 HB2 GLN 70 2HB GLN 70 -13.934 25.909 -16.465 529 HB3 GLN 70 3HB GLN 70 -12.241 25.766 -16.920 530 HG2 GLN 70 2HG GLN 70 -12.234 27.260 -15.140 531 HG3 GLN 70 3HG GLN 70 -12.113 28.288 -16.567 532 HE21 GLN 70 1HE2 GLN 70 -14.103 27.274 -13.920 533 HE22 GLN 70 2HE2 GLN 70 -15.321 28.487 -14.099 534 H PHE 71 H PHE 71 -11.534 25.722 -19.585 535 HA PHE 71 HA PHE 71 -9.997 28.197 -19.874 536 HB2 PHE 71 2HB PHE 71 -9.193 25.320 -20.355 537 HB3 PHE 71 3HB PHE 71 -8.125 26.711 -20.503 538 HD1 PHE 71 HD1 PHE 71 -8.507 28.315 -18.235 539 HD2 PHE 71 HD2 PHE 71 -8.708 24.072 -18.502 540 HE1 PHE 71 HE1 PHE 71 -7.947 28.142 -15.845 541 HE2 PHE 71 HE2 PHE 71 -8.150 23.892 -16.113 542 HZ PHE 71 HZ PHE 71 -7.770 25.928 -14.781 543 H ARG 72 H ARG 72 -12.132 26.295 -21.615 544 HA ARG 72 HA ARG 72 -12.806 26.268 -23.786 545 HB2 ARG 72 2HB ARG 72 -12.489 28.802 -23.362 546 HB3 ARG 72 3HB ARG 72 -11.028 28.629 -24.325 547 HG2 ARG 72 2HG ARG 72 -12.428 27.703 -26.163 548 HG3 ARG 72 3HG ARG 72 -13.855 28.084 -25.197 549 HD2 ARG 72 2HD ARG 72 -13.358 30.419 -25.256 550 HD3 ARG 72 3HD ARG 72 -11.781 30.120 -25.986 551 HE ARG 72 HE ARG 72 -14.283 30.317 -27.337 552 HH11 ARG 72 1HH1 ARG 72 -11.172 28.756 -27.422 553 HH12 ARG 72 2HH1 ARG 72 -11.193 28.517 -29.138 554 HH21 ARG 72 1HH2 ARG 72 -14.323 30.007 -29.597 555 HH22 ARG 72 2HH2 ARG 72 -12.986 29.229 -30.374 556 H VAL 73 H VAL 73 -10.590 24.671 -23.062 557 HA VAL 73 HA VAL 73 -9.431 24.265 -25.692 558 HB VAL 73 HB VAL 73 -7.793 25.754 -24.691 559 HG11 VAL 73 1HG1 VAL 73 -7.208 25.713 -22.543 560 HG12 VAL 73 2HG1 VAL 73 -8.487 24.520 -22.307 561 HG13 VAL 73 3HG1 VAL 73 -6.830 23.992 -22.605 562 HG21 VAL 73 1HG2 VAL 73 -6.854 22.888 -24.763 563 HG22 VAL 73 2HG2 VAL 73 -6.963 23.988 -26.138 564 HG23 VAL 73 3HG2 VAL 73 -5.809 24.307 -24.843 565 H SER 74 H SER 74 -9.409 22.163 -26.140 566 HA SER 74 HA SER 74 -9.897 20.261 -23.985 567 HB2 SER 74 2HB SER 74 -10.184 18.652 -25.957 568 HB3 SER 74 3HB SER 74 -11.371 19.948 -25.812 569 HG SER 74 HG SER 74 -10.696 20.750 -27.635 570 H GLN 75 H GLN 75 -8.217 19.382 -26.917 571 HA GLN 75 HA GLN 75 -6.311 18.143 -27.196 572 HB2 GLN 75 2HB GLN 75 -5.671 20.728 -26.067 573 HB3 GLN 75 3HB GLN 75 -4.462 19.532 -25.615 574 HG2 GLN 75 2HG GLN 75 -3.513 19.902 -27.579 575 HG3 GLN 75 3HG GLN 75 -4.887 19.076 -28.311 576 HE21 GLN 75 1HE2 GLN 75 -5.952 20.161 -29.797 577 HE22 GLN 75 2HE2 GLN 75 -5.979 21.878 -29.983 578 H GLN 76 H GLN 76 -6.945 16.253 -26.096 579 HA GLN 76 HA GLN 76 -6.476 15.942 -23.284 580 HB2 GLN 76 2HB GLN 76 -7.166 13.650 -23.602 581 HB3 GLN 76 3HB GLN 76 -8.247 14.704 -24.504 582 HG2 GLN 76 2HG GLN 76 -6.168 13.995 -26.259 583 HG3 GLN 76 3HG GLN 76 -6.663 12.519 -25.431 584 HE21 GLN 76 1HE2 GLN 76 -8.520 15.368 -26.410 585 HE22 GLN 76 2HE2 GLN 76 -9.634 14.512 -27.416 586 H SER 77 H SER 77 -4.191 16.708 -23.481 587 HA SER 77 HA SER 77 -2.436 14.384 -23.710 588 HB2 SER 77 2HB SER 77 -2.222 15.467 -25.880 589 HB3 SER 77 3HB SER 77 -1.919 17.021 -25.105 590 HG SER 77 HG SER 77 -0.283 14.735 -24.738 591 H THR 78 H THR 78 -3.607 16.475 -21.716 592 HA THR 78 HA THR 78 -1.408 17.872 -20.616 593 HB THR 78 HB THR 78 -4.142 17.167 -19.626 594 HG1 THR 78 HG1 THR 78 -2.679 19.573 -20.059 595 HG21 THR 78 1HG2 THR 78 -3.034 16.856 -17.596 596 HG22 THR 78 2HG2 THR 78 -3.481 18.562 -17.552 597 HG23 THR 78 3HG2 THR 78 -1.830 18.093 -17.954 598 H LEU 79 H LEU 79 0.332 16.986 -19.730 599 HA LEU 79 HA LEU 79 -0.004 14.548 -18.110 600 HB2 LEU 79 2HB LEU 79 1.308 14.509 -20.384 601 HB3 LEU 79 3HB LEU 79 2.597 15.212 -19.408 602 HG LEU 79 HG LEU 79 1.348 12.489 -19.180 603 HD11 LEU 79 1HD1 LEU 79 4.178 13.475 -19.504 604 HD12 LEU 79 2HD1 LEU 79 3.189 12.681 -20.729 605 HD13 LEU 79 3HD1 LEU 79 3.709 11.787 -19.300 606 HD21 LEU 79 1HD2 LEU 79 1.397 13.110 -16.933 607 HD22 LEU 79 2HD2 LEU 79 2.878 14.048 -17.124 608 HD23 LEU 79 3HD2 LEU 79 2.937 12.285 -17.173 609 H ILE 80 H ILE 80 0.519 14.760 -16.041 610 HA ILE 80 HA ILE 80 2.653 16.575 -15.244 611 HB ILE 80 HB ILE 80 0.133 16.767 -13.662 612 HG12 ILE 80 2HG1 ILE 80 0.686 18.276 -16.224 613 HG13 ILE 80 3HG1 ILE 80 -0.662 17.187 -15.912 614 HG21 ILE 80 1HG2 ILE 80 1.179 18.473 -12.660 615 HG22 ILE 80 2HG2 ILE 80 2.636 17.840 -13.423 616 HG23 ILE 80 3HG2 ILE 80 1.738 19.149 -14.190 617 HD11 ILE 80 1HD1 ILE 80 -0.176 19.921 -14.789 618 HD12 ILE 80 2HD1 ILE 80 -1.548 19.342 -15.734 619 HD13 ILE 80 3HD1 ILE 80 -1.331 18.800 -14.070 620 H LEU 81 H LEU 81 3.921 15.037 -14.359 621 HA LEU 81 HA LEU 81 2.749 13.072 -12.543 622 HB2 LEU 81 2HB LEU 81 4.197 11.937 -13.894 623 HB3 LEU 81 3HB LEU 81 5.291 13.310 -14.058 624 HG LEU 81 HG LEU 81 6.154 12.872 -11.798 625 HD11 LEU 81 1HD1 LEU 81 4.574 11.844 -10.520 626 HD12 LEU 81 2HD1 LEU 81 5.508 10.431 -11.011 627 HD13 LEU 81 3HD1 LEU 81 4.004 10.825 -11.842 628 HD21 LEU 81 1HD2 LEU 81 7.686 11.662 -12.849 629 HD22 LEU 81 2HD2 LEU 81 6.532 11.296 -14.131 630 HD23 LEU 81 3HD2 LEU 81 6.652 10.239 -12.724 631 H TYR 82 H TYR 82 2.540 13.678 -10.495 632 HA TYR 82 HA TYR 82 4.243 15.709 -9.344 633 HB2 TYR 82 2HB TYR 82 1.768 14.272 -8.528 634 HB3 TYR 82 3HB TYR 82 2.785 14.919 -7.246 635 HD1 TYR 82 HD1 TYR 82 0.748 15.797 -10.191 636 HD2 TYR 82 HD2 TYR 82 2.918 17.272 -6.841 637 HE1 TYR 82 HE1 TYR 82 -0.255 18.018 -10.527 638 HE2 TYR 82 HE2 TYR 82 1.920 19.497 -7.167 639 HH TYR 82 HH TYR 82 0.598 20.755 -8.427 640 H ARG 83 H ARG 83 6.034 15.362 -8.213 641 HA ARG 83 HA ARG 83 6.599 12.619 -7.304 642 HB2 ARG 83 2HB ARG 83 8.091 14.168 -8.987 643 HB3 ARG 83 3HB ARG 83 8.840 14.521 -7.436 644 HG2 ARG 83 2HG ARG 83 8.553 11.766 -7.436 645 HG3 ARG 83 3HG ARG 83 9.030 12.159 -9.089 646 HD2 ARG 83 2HD ARG 83 10.903 13.511 -8.151 647 HD3 ARG 83 3HD ARG 83 10.466 12.916 -6.550 648 HE ARG 83 HE ARG 83 11.903 11.502 -8.581 649 HH11 ARG 83 1HH1 ARG 83 9.769 11.142 -5.853 650 HH12 ARG 83 2HH1 ARG 83 10.289 9.529 -5.493 651 HH21 ARG 83 1HH2 ARG 83 12.596 9.379 -8.117 652 HH22 ARG 83 2HH2 ARG 83 11.898 8.527 -6.781 653 H ASN 84 H ASN 84 5.845 12.603 -5.240 654 HA ASN 84 HA ASN 84 5.927 12.906 -2.982 655 HB2 ASN 84 2HB ASN 84 8.448 13.246 -3.561 656 HB3 ASN 84 3HB ASN 84 8.106 14.950 -3.276 657 HD21 ASN 84 1HD2 ASN 84 9.656 14.740 -1.550 658 HD22 ASN 84 2HD2 ASN 84 9.150 14.117 -0.020 659 H GLY 85 H GLY 85 4.381 14.606 -4.847 660 HA2 GLY 85 2HA GLY 85 2.705 16.161 -4.312 661 HA3 GLY 85 3HA GLY 85 3.625 16.630 -2.890 662 H GLN 86 H GLN 86 5.326 16.437 -5.874 663 HA GLN 86 HA GLN 86 4.959 19.262 -6.467 664 HB2 GLN 86 2HB GLN 86 6.920 18.745 -4.754 665 HB3 GLN 86 3HB GLN 86 7.787 18.349 -6.232 666 HG2 GLN 86 2HG GLN 86 8.064 20.487 -6.754 667 HG3 GLN 86 3HG GLN 86 6.368 20.862 -6.452 668 HE21 GLN 86 1HE2 GLN 86 7.078 22.856 -5.556 669 HE22 GLN 86 2HE2 GLN 86 7.694 22.925 -3.944 670 H GLU 87 H GLU 87 4.771 19.478 -8.590 671 HA GLU 87 HA GLU 87 5.372 17.321 -10.367 672 HB2 GLU 87 2HB GLU 87 4.533 18.794 -12.123 673 HB3 GLU 87 3HB GLU 87 3.451 18.801 -10.737 674 HG2 GLU 87 2HG GLU 87 3.530 21.012 -10.832 675 HG3 GLU 87 3HG GLU 87 5.182 20.891 -10.227 676 H VAL 88 H VAL 88 7.078 17.024 -11.684 677 HA VAL 88 HA VAL 88 9.249 19.004 -11.530 678 HB VAL 88 HB VAL 88 10.102 16.995 -10.699 679 HG11 VAL 88 1HG1 VAL 88 8.729 15.240 -11.015 680 HG12 VAL 88 2HG1 VAL 88 8.251 15.772 -12.629 681 HG13 VAL 88 3HG1 VAL 88 9.774 14.912 -12.397 682 HG21 VAL 88 1HG2 VAL 88 10.918 16.437 -13.485 683 HG22 VAL 88 2HG2 VAL 88 11.206 18.072 -12.890 684 HG23 VAL 88 3HG2 VAL 88 11.902 16.690 -12.043 685 H ARG 89 H ARG 89 7.378 16.995 -13.740 686 HA ARG 89 HA ARG 89 8.243 18.728 -15.943 687 HB2 ARG 89 2HB ARG 89 8.811 15.905 -15.650 688 HB3 ARG 89 3HB ARG 89 7.856 16.206 -17.095 689 HG2 ARG 89 2HG ARG 89 10.089 16.320 -17.788 690 HG3 ARG 89 3HG ARG 89 9.556 17.998 -17.669 691 HD2 ARG 89 2HD ARG 89 10.515 17.461 -15.145 692 HD3 ARG 89 3HD ARG 89 11.627 16.579 -16.191 693 HE ARG 89 HE ARG 89 11.406 19.423 -15.911 694 HH11 ARG 89 1HH1 ARG 89 12.322 16.842 -18.060 695 HH12 ARG 89 2HH1 ARG 89 13.415 17.821 -18.981 696 HH21 ARG 89 1HH2 ARG 89 12.842 20.723 -17.116 697 HH22 ARG 89 2HH2 ARG 89 13.710 20.028 -18.443 698 H ARG 90 H ARG 90 6.680 19.211 -17.430 699 HA ARG 90 HA ARG 90 4.212 17.753 -17.584 700 HB2 ARG 90 2HB ARG 90 3.595 18.948 -15.636 701 HB3 ARG 90 3HB ARG 90 4.316 20.439 -16.227 702 HG2 ARG 90 2HG ARG 90 2.114 19.277 -17.827 703 HG3 ARG 90 3HG ARG 90 1.699 19.993 -16.268 704 HD2 ARG 90 2HD ARG 90 3.203 21.963 -17.135 705 HD3 ARG 90 3HD ARG 90 2.826 21.274 -18.714 706 HE ARG 90 HE ARG 90 0.418 21.522 -17.386 707 HH11 ARG 90 1HH1 ARG 90 2.971 23.634 -18.457 708 HH12 ARG 90 2HH1 ARG 90 1.925 24.995 -18.691 709 HH21 ARG 90 1HH2 ARG 90 -0.969 23.307 -17.690 710 HH22 ARG 90 2HH2 ARG 90 -0.316 24.808 -18.254 711 H SER 91 H SER 91 3.044 18.236 -19.424 712 HA SER 91 HA SER 91 3.568 20.574 -20.997 713 HB2 SER 91 2HB SER 91 5.470 18.729 -21.373 714 HB3 SER 91 3HB SER 91 4.261 18.091 -22.487 715 HG SER 91 HG SER 91 4.191 20.338 -23.317 716 H ILE 92 H ILE 92 1.910 20.993 -22.356 717 HA ILE 92 HA ILE 92 -0.055 18.844 -22.807 718 HB ILE 92 HB ILE 92 -0.843 20.494 -21.116 719 HG12 ILE 92 2HG1 ILE 92 -2.254 19.270 -23.029 720 HG13 ILE 92 3HG1 ILE 92 -3.001 20.353 -21.860 721 HG21 ILE 92 1HG2 ILE 92 -1.512 22.741 -21.939 722 HG22 ILE 92 2HG2 ILE 92 0.233 22.488 -21.903 723 HG23 ILE 92 3HG2 ILE 92 -0.638 22.408 -23.434 724 HD11 ILE 92 1HD1 ILE 92 -3.040 22.137 -23.431 725 HD12 ILE 92 2HD1 ILE 92 -2.058 21.224 -24.576 726 HD13 ILE 92 3HD1 ILE 92 -3.705 20.707 -24.219 727 H GLY 93 H GLY 93 -0.926 18.678 -24.824 728 HA2 GLY 93 2HA GLY 93 -1.535 19.553 -26.964 729 HA3 GLY 93 3HA GLY 93 -0.286 20.776 -26.782 730 H GLU 94 H GLU 94 -0.256 17.222 -26.514 731 HA GLU 94 HA GLU 94 1.064 15.644 -27.486 732 HB2 GLU 94 2HB GLU 94 -0.002 16.194 -29.542 733 HB3 GLU 94 3HB GLU 94 0.933 17.673 -29.711 734 HG2 GLU 94 2HG GLU 94 2.650 16.622 -30.671 735 HG3 GLU 94 3HG GLU 94 2.570 15.264 -29.550 736 H THR 95 H THR 95 2.849 15.566 -26.216 737 HA THR 95 HA THR 95 5.222 16.948 -27.218 738 HB THR 95 HB THR 95 5.437 16.938 -24.380 739 HG1 THR 95 HG1 THR 95 3.140 17.026 -24.360 740 HG21 THR 95 1HG2 THR 95 6.655 18.658 -25.137 741 HG22 THR 95 2HG2 THR 95 5.146 19.571 -25.181 742 HG23 THR 95 3HG2 THR 95 5.726 18.756 -26.633 743 H SER 96 H SER 96 7.138 16.167 -25.594 744 HA SER 96 HA SER 96 6.862 13.384 -24.851 745 HB2 SER 96 2HB SER 96 9.170 13.368 -26.475 746 HB3 SER 96 3HB SER 96 7.655 12.512 -26.756 747 HG SER 96 HG SER 96 7.422 13.777 -28.405 748 HA PRO 97 HA PRO 97 11.259 14.890 -23.594 749 HB2 PRO 97 2HB PRO 97 12.095 17.300 -24.524 750 HB3 PRO 97 3HB PRO 97 12.351 15.789 -25.405 751 HG2 PRO 97 2HG PRO 97 10.245 17.880 -25.802 752 HG3 PRO 97 3HG PRO 97 11.199 17.008 -27.016 753 HD2 PRO 97 2HD PRO 97 8.649 16.331 -26.406 754 HD3 PRO 97 3HD PRO 97 9.862 15.134 -26.905 755 H SER 98 H SER 98 8.492 16.893 -23.690 756 HA SER 98 HA SER 98 9.393 18.501 -21.413 757 HB2 SER 98 2HB SER 98 6.920 18.733 -23.144 758 HB3 SER 98 3HB SER 98 7.318 19.812 -21.808 759 HG SER 98 HG SER 98 8.042 20.746 -23.698 760 H ALA 99 H ALA 99 6.521 16.612 -22.367 761 HA ALA 99 HA ALA 99 5.710 16.367 -19.591 762 HB1 ALA 99 1HB ALA 99 4.427 16.139 -22.163 763 HB2 ALA 99 2HB ALA 99 4.051 14.751 -21.141 764 HB3 ALA 99 3HB ALA 99 3.715 16.385 -20.569 765 H LEU 100 H LEU 100 6.134 13.993 -22.225 766 HA LEU 100 HA LEU 100 6.199 11.710 -20.689 767 HB2 LEU 100 2HB LEU 100 6.122 11.278 -22.938 768 HB3 LEU 100 3HB LEU 100 7.365 12.468 -23.318 769 HG LEU 100 HG LEU 100 9.066 10.910 -22.402 770 HD11 LEU 100 1HD1 LEU 100 8.570 8.741 -21.732 771 HD12 LEU 100 2HD1 LEU 100 6.962 8.780 -22.453 772 HD13 LEU 100 3HD1 LEU 100 7.292 9.700 -20.985 773 HD21 LEU 100 1HD2 LEU 100 9.244 10.493 -24.580 774 HD22 LEU 100 2HD2 LEU 100 7.499 10.597 -24.816 775 HD23 LEU 100 3HD2 LEU 100 8.232 9.075 -24.307 776 H SER 101 H SER 101 8.599 14.166 -20.983 777 HA SER 101 HA SER 101 10.920 12.778 -20.316 778 HB2 SER 101 2HB SER 101 11.360 14.959 -20.937 779 HB3 SER 101 3HB SER 101 10.011 15.608 -20.005 780 HG SER 101 HG SER 101 12.349 14.500 -18.843 781 H ASP 102 H ASP 102 8.147 13.414 -18.440 782 HA ASP 102 HA ASP 102 9.490 13.194 -15.882 783 HB2 ASP 102 2HB ASP 102 7.193 14.427 -16.625 784 HB3 ASP 102 3HB ASP 102 6.550 12.911 -15.999 785 H PHE 103 H PHE 103 7.968 11.126 -18.179 786 HA PHE 103 HA PHE 103 7.435 8.981 -16.335 787 HB2 PHE 103 2HB PHE 103 6.525 9.610 -18.851 788 HB3 PHE 103 3HB PHE 103 7.629 8.278 -19.177 789 HD1 PHE 103 HD1 PHE 103 7.215 6.766 -16.597 790 HD2 PHE 103 HD2 PHE 103 4.473 8.564 -19.311 791 HE1 PHE 103 HE1 PHE 103 5.483 5.162 -15.904 792 HE2 PHE 103 HE2 PHE 103 2.736 6.963 -18.621 793 HZ PHE 103 HZ PHE 103 3.240 5.260 -16.915 794 H LEU 104 H LEU 104 10.082 10.013 -18.316 795 HA LEU 104 HA LEU 104 11.474 7.464 -17.970 796 HB2 LEU 104 2HB LEU 104 13.069 8.273 -19.554 797 HB3 LEU 104 3HB LEU 104 11.451 8.562 -20.188 798 HG LEU 104 HG LEU 104 11.925 10.949 -19.043 799 HD11 LEU 104 1HD1 LEU 104 14.256 10.026 -18.457 800 HD12 LEU 104 2HD1 LEU 104 14.141 11.634 -19.171 801 HD13 LEU 104 3HD1 LEU 104 14.613 10.259 -20.169 802 HD21 LEU 104 1HD2 LEU 104 12.741 11.637 -21.360 803 HD22 LEU 104 2HD2 LEU 104 11.176 10.830 -21.262 804 HD23 LEU 104 3HD2 LEU 104 12.601 9.932 -21.787 805 H THR 105 H THR 105 11.227 10.520 -16.534 806 HA THR 105 HA THR 105 13.727 10.053 -15.045 807 HB THR 105 HB THR 105 12.713 12.835 -15.210 808 HG1 THR 105 HG1 THR 105 12.726 11.755 -17.422 809 HG21 THR 105 1HG2 THR 105 14.742 13.226 -14.379 810 HG22 THR 105 2HG2 THR 105 15.493 12.482 -15.791 811 HG23 THR 105 3HG2 THR 105 15.060 11.492 -14.397 812 H ARG 106 H ARG 106 10.714 9.508 -14.647 813 HA ARG 106 HA ARG 106 9.590 11.036 -12.672 814 HB2 ARG 106 2HB ARG 106 8.291 9.269 -13.532 815 HB3 ARG 106 3HB ARG 106 9.519 8.069 -13.154 816 HG2 ARG 106 2HG ARG 106 8.508 9.491 -10.813 817 HG3 ARG 106 3HG ARG 106 7.279 8.566 -11.680 818 HD2 ARG 106 2HD ARG 106 8.410 6.548 -11.368 819 HD3 ARG 106 3HD ARG 106 9.933 7.353 -10.997 820 HE ARG 106 HE ARG 106 7.823 7.874 -9.105 821 HH11 ARG 106 1HH1 ARG 106 10.459 5.775 -9.981 822 HH12 ARG 106 2HH1 ARG 106 10.692 5.181 -8.370 823 HH21 ARG 106 1HH2 ARG 106 8.120 7.099 -6.981 824 HH22 ARG 106 2HH2 ARG 106 9.361 5.933 -6.665 Start of MODEL 10 1 H GLN 1 H GLN 1 3.163 0.998 -0.076 2 HA GLN 1 HA GLN 1 1.346 1.109 -1.446 3 HB2 GLN 1 2HB GLN 1 0.299 3.270 -1.655 4 HB3 GLN 1 3HB GLN 1 1.011 3.141 -0.053 5 HG2 GLN 1 2HG GLN 1 3.000 4.391 -0.978 6 HG3 GLN 1 3HG GLN 1 2.015 4.713 -2.403 7 HE21 GLN 1 1HE2 GLN 1 0.326 6.151 -2.273 8 HE22 GLN 1 2HE2 GLN 1 0.081 7.192 -0.917 9 H ALA 2 H ALA 2 0.791 1.078 -3.592 10 HA ALA 2 HA ALA 2 2.125 2.618 -5.583 11 HB1 ALA 2 1HB ALA 2 3.797 1.303 -6.235 12 HB2 ALA 2 2HB ALA 2 3.545 0.383 -4.751 13 HB3 ALA 2 3HB ALA 2 2.761 -0.125 -6.247 14 H ALA 3 H ALA 3 1.429 2.018 -7.787 15 HA ALA 3 HA ALA 3 -0.169 1.478 -9.318 16 HB1 ALA 3 1HB ALA 3 -0.963 -0.654 -9.324 17 HB2 ALA 3 2HB ALA 3 0.314 -0.839 -8.121 18 HB3 ALA 3 3HB ALA 3 -1.360 -0.632 -7.605 19 H SER 4 H SER 4 -1.706 2.955 -9.567 20 HA SER 4 HA SER 4 -4.186 2.792 -8.200 21 HB2 SER 4 2HB SER 4 -2.217 4.291 -6.855 22 HB3 SER 4 3HB SER 4 -3.302 5.470 -7.591 23 HG SER 4 HG SER 4 -4.031 4.829 -5.526 24 H VAL 5 H VAL 5 -5.202 2.894 -10.138 25 HA VAL 5 HA VAL 5 -4.713 5.264 -11.816 26 HB VAL 5 HB VAL 5 -5.706 4.026 -13.668 27 HG11 VAL 5 1HG1 VAL 5 -3.726 3.126 -14.158 28 HG12 VAL 5 2HG1 VAL 5 -3.230 3.570 -12.523 29 HG13 VAL 5 3HG1 VAL 5 -3.851 1.951 -12.849 30 HG21 VAL 5 1HG2 VAL 5 -6.164 1.946 -11.558 31 HG22 VAL 5 2HG2 VAL 5 -7.305 2.614 -12.725 32 HG23 VAL 5 3HG2 VAL 5 -6.043 1.505 -13.262 33 H GLU 6 H GLU 6 -6.264 6.747 -12.025 34 HA GLU 6 HA GLU 6 -8.905 6.147 -10.883 35 HB2 GLU 6 2HB GLU 6 -7.427 8.744 -11.294 36 HB3 GLU 6 3HB GLU 6 -9.131 8.681 -10.869 37 HG2 GLU 6 2HG GLU 6 -6.938 7.431 -9.234 38 HG3 GLU 6 3HG GLU 6 -7.600 9.039 -8.947 39 HA PRO 7 HA PRO 7 -10.120 6.138 -15.227 40 HB2 PRO 7 2HB PRO 7 -12.562 5.045 -14.765 41 HB3 PRO 7 3HB PRO 7 -11.079 4.086 -14.840 42 HG2 PRO 7 2HG PRO 7 -12.568 5.087 -12.444 43 HG3 PRO 7 3HG PRO 7 -11.836 3.496 -12.722 44 HD2 PRO 7 2HD PRO 7 -10.637 5.409 -11.227 45 HD3 PRO 7 3HD PRO 7 -9.718 4.237 -12.194 46 H TYR 8 H TYR 8 -10.276 8.404 -15.426 47 HA TYR 8 HA TYR 8 -11.289 10.442 -15.565 48 HB2 TYR 8 2HB TYR 8 -14.030 9.479 -15.695 49 HB3 TYR 8 3HB TYR 8 -13.067 10.291 -16.925 50 HD1 TYR 8 HD1 TYR 8 -14.721 7.314 -16.102 51 HD2 TYR 8 HD2 TYR 8 -11.225 8.752 -18.056 52 HE1 TYR 8 HE1 TYR 8 -14.563 5.205 -17.359 53 HE2 TYR 8 HE2 TYR 8 -11.059 6.648 -19.319 54 HH TYR 8 HH TYR 8 -11.786 4.410 -19.272 55 H SER 9 H SER 9 -11.033 11.413 -13.613 56 HA SER 9 HA SER 9 -13.330 11.848 -12.011 57 HB2 SER 9 2HB SER 9 -11.844 10.913 -9.923 58 HB3 SER 9 3HB SER 9 -13.136 10.005 -10.706 59 HG SER 9 HG SER 9 -11.681 8.814 -11.774 60 H ASP 10 H ASP 10 -12.783 13.993 -12.417 61 HA ASP 10 HA ASP 10 -10.311 15.200 -12.064 62 HB2 ASP 10 2HB ASP 10 -12.869 16.051 -12.716 63 HB3 ASP 10 3HB ASP 10 -12.514 16.916 -11.223 64 H ALA 11 H ALA 11 -12.829 14.498 -9.702 65 HA ALA 11 HA ALA 11 -11.788 15.959 -7.546 66 HB1 ALA 11 1HB ALA 11 -13.273 14.763 -6.175 67 HB2 ALA 11 2HB ALA 11 -14.068 14.846 -7.747 68 HB3 ALA 11 3HB ALA 11 -13.262 13.360 -7.244 69 H ALA 12 H ALA 12 -10.633 13.145 -9.078 70 HA ALA 12 HA ALA 12 -9.166 12.182 -6.762 71 HB1 ALA 12 1HB ALA 12 -8.786 10.266 -7.929 72 HB2 ALA 12 2HB ALA 12 -10.230 10.822 -8.775 73 HB3 ALA 12 3HB ALA 12 -8.635 11.103 -9.474 74 H PHE 13 H PHE 13 -8.600 13.990 -9.708 75 HA PHE 13 HA PHE 13 -5.889 13.877 -10.015 76 HB2 PHE 13 2HB PHE 13 -7.315 15.156 -11.518 77 HB3 PHE 13 3HB PHE 13 -7.654 16.323 -10.244 78 HD1 PHE 13 HD1 PHE 13 -4.435 14.778 -11.288 79 HD2 PHE 13 HD2 PHE 13 -6.761 18.328 -10.966 80 HE1 PHE 13 HE1 PHE 13 -2.493 16.111 -11.999 81 HE2 PHE 13 HE2 PHE 13 -4.823 19.666 -11.678 82 HZ PHE 13 HZ PHE 13 -2.686 18.558 -12.196 83 H THR 14 H THR 14 -7.696 15.628 -7.569 84 HA THR 14 HA THR 14 -5.331 16.933 -6.524 85 HB THR 14 HB THR 14 -7.173 17.373 -4.603 86 HG1 THR 14 HG1 THR 14 -8.665 16.038 -5.964 87 HG21 THR 14 1HG2 THR 14 -6.276 18.749 -7.007 88 HG22 THR 14 2HG2 THR 14 -6.539 19.376 -5.379 89 HG23 THR 14 3HG2 THR 14 -7.891 19.247 -6.504 90 H GLN 15 H GLN 15 -7.700 14.579 -5.267 91 HA GLN 15 HA GLN 15 -6.485 13.994 -2.862 92 HB2 GLN 15 2HB GLN 15 -7.872 11.972 -4.625 93 HB3 GLN 15 3HB GLN 15 -7.704 11.912 -2.876 94 HG2 GLN 15 2HG GLN 15 -8.964 14.366 -3.666 95 HG3 GLN 15 3HG GLN 15 -9.815 12.986 -4.359 96 HE21 GLN 15 1HE2 GLN 15 -8.114 13.462 -1.285 97 HE22 GLN 15 2HE2 GLN 15 -9.452 13.031 -0.280 98 H ALA 16 H ALA 16 -5.590 12.988 -6.072 99 HA ALA 16 HA ALA 16 -3.853 10.866 -5.290 100 HB1 ALA 16 1HB ALA 16 -4.920 11.267 -7.581 101 HB2 ALA 16 2HB ALA 16 -3.603 12.408 -7.851 102 HB3 ALA 16 3HB ALA 16 -3.248 10.709 -7.542 103 H GLN 17 H GLN 17 -3.463 14.316 -5.821 104 HA GLN 17 HA GLN 17 -0.590 14.224 -5.629 105 HB2 GLN 17 2HB GLN 17 -1.482 15.960 -6.987 106 HB3 GLN 17 3HB GLN 17 -2.590 16.477 -5.723 107 HG2 GLN 17 2HG GLN 17 -0.693 17.236 -4.377 108 HG3 GLN 17 3HG GLN 17 0.408 16.734 -5.659 109 HE21 GLN 17 1HE2 GLN 17 0.990 19.069 -5.368 110 HE22 GLN 17 2HE2 GLN 17 0.145 20.217 -6.344 111 H ALA 18 H ALA 18 -3.218 14.390 -3.443 112 HA ALA 18 HA ALA 18 -1.722 15.630 -1.300 113 HB1 ALA 18 1HB ALA 18 -3.785 16.122 -0.646 114 HB2 ALA 18 2HB ALA 18 -4.476 15.013 -1.831 115 HB3 ALA 18 3HB ALA 18 -4.013 14.421 -0.236 116 H SER 19 H SER 19 -1.293 12.797 -2.668 117 HA SER 19 HA SER 19 -1.234 11.157 -0.254 118 HB2 SER 19 2HB SER 19 -0.196 10.092 -2.826 119 HB3 SER 19 3HB SER 19 -1.227 9.322 -1.620 120 HG SER 19 HG SER 19 -2.433 9.736 -3.468 121 H GLY 20 H GLY 20 0.992 12.292 -2.789 122 HA2 GLY 20 2HA GLY 20 3.158 13.165 -2.187 123 HA3 GLY 20 3HA GLY 20 3.177 12.053 -0.827 124 H ALA 21 H ALA 21 1.941 10.325 -3.308 125 HA ALA 21 HA ALA 21 4.552 9.131 -3.889 126 HB1 ALA 21 1HB ALA 21 1.927 8.080 -3.432 127 HB2 ALA 21 2HB ALA 21 2.518 7.552 -5.008 128 HB3 ALA 21 3HB ALA 21 3.465 7.226 -3.556 129 HA PRO 22 HA PRO 22 4.667 10.276 -8.123 130 HB2 PRO 22 2HB PRO 22 5.363 7.980 -9.393 131 HB3 PRO 22 3HB PRO 22 6.485 8.895 -8.380 132 HG2 PRO 22 2HG PRO 22 4.890 6.452 -7.709 133 HG3 PRO 22 3HG PRO 22 6.579 6.827 -7.322 134 HD2 PRO 22 2HD PRO 22 4.575 7.109 -5.523 135 HD3 PRO 22 3HD PRO 22 6.005 8.161 -5.533 136 H VAL 23 H VAL 23 2.854 10.818 -9.168 137 HA VAL 23 HA VAL 23 1.182 8.668 -10.262 138 HB VAL 23 HB VAL 23 0.131 11.113 -8.834 139 HG11 VAL 23 1HG1 VAL 23 -1.377 8.980 -10.344 140 HG12 VAL 23 2HG1 VAL 23 -2.098 10.285 -9.400 141 HG13 VAL 23 3HG1 VAL 23 -1.166 10.656 -10.852 142 HG21 VAL 23 1HG2 VAL 23 -0.568 8.276 -8.197 143 HG22 VAL 23 2HG2 VAL 23 0.916 8.989 -7.564 144 HG23 VAL 23 3HG2 VAL 23 -0.646 9.705 -7.167 145 H LEU 24 H LEU 24 0.946 8.895 -12.381 146 HA LEU 24 HA LEU 24 1.491 11.511 -13.590 147 HB2 LEU 24 2HB LEU 24 2.899 9.904 -14.530 148 HB3 LEU 24 3HB LEU 24 1.620 8.694 -14.601 149 HG LEU 24 HG LEU 24 1.325 11.131 -16.279 150 HD11 LEU 24 1HD1 LEU 24 2.924 8.865 -17.362 151 HD12 LEU 24 2HD1 LEU 24 3.736 10.106 -16.408 152 HD13 LEU 24 3HD1 LEU 24 2.863 10.551 -17.874 153 HD21 LEU 24 1HD2 LEU 24 0.005 8.691 -15.970 154 HD22 LEU 24 2HD2 LEU 24 0.858 8.567 -17.509 155 HD23 LEU 24 3HD2 LEU 24 -0.263 9.900 -17.227 156 H VAL 25 H VAL 25 0.128 12.364 -15.210 157 HA VAL 25 HA VAL 25 -2.621 11.298 -15.150 158 HB VAL 25 HB VAL 25 -1.870 14.183 -15.617 159 HG11 VAL 25 1HG1 VAL 25 -4.456 12.715 -15.197 160 HG12 VAL 25 2HG1 VAL 25 -4.315 14.453 -14.925 161 HG13 VAL 25 3HG1 VAL 25 -3.994 13.780 -16.524 162 HG21 VAL 25 1HG2 VAL 25 -2.575 14.609 -13.313 163 HG22 VAL 25 2HG2 VAL 25 -2.793 12.878 -13.056 164 HG23 VAL 25 3HG2 VAL 25 -1.183 13.527 -13.367 165 H ASP 26 H ASP 26 -3.613 10.889 -17.040 166 HA ASP 26 HA ASP 26 -2.549 12.006 -19.516 167 HB2 ASP 26 2HB ASP 26 -1.773 9.477 -18.718 168 HB3 ASP 26 3HB ASP 26 -3.126 9.154 -19.799 169 H VAL 27 H VAL 27 -4.217 12.821 -20.579 170 HA VAL 27 HA VAL 27 -6.907 11.843 -20.046 171 HB VAL 27 HB VAL 27 -6.243 14.081 -21.936 172 HG11 VAL 27 1HG1 VAL 27 -8.557 13.230 -21.812 173 HG12 VAL 27 2HG1 VAL 27 -8.586 13.624 -20.091 174 HG13 VAL 27 3HG1 VAL 27 -8.420 14.909 -21.289 175 HG21 VAL 27 1HG2 VAL 27 -5.084 14.954 -20.178 176 HG22 VAL 27 2HG2 VAL 27 -6.709 15.466 -19.721 177 HG23 VAL 27 3HG2 VAL 27 -5.993 14.036 -18.977 178 H TYR 28 H TYR 28 -8.091 10.647 -21.407 179 HA TYR 28 HA TYR 28 -7.074 10.243 -24.142 180 HB2 TYR 28 2HB TYR 28 -7.984 8.229 -22.114 181 HB3 TYR 28 3HB TYR 28 -8.163 7.887 -23.832 182 HD1 TYR 28 HD1 TYR 28 -6.499 6.577 -24.724 183 HD2 TYR 28 HD2 TYR 28 -5.501 9.290 -21.602 184 HE1 TYR 28 HE1 TYR 28 -4.161 5.820 -24.822 185 HE2 TYR 28 HE2 TYR 28 -3.160 8.541 -21.691 186 HH TYR 28 HH TYR 28 -2.180 5.800 -23.609 187 H ALA 29 H ALA 29 -8.634 9.831 -25.758 188 HA ALA 29 HA ALA 29 -11.418 10.409 -24.996 189 HB1 ALA 29 1HB ALA 29 -9.700 11.797 -26.978 190 HB2 ALA 29 2HB ALA 29 -11.399 11.557 -27.387 191 HB3 ALA 29 3HB ALA 29 -10.960 12.437 -25.923 192 H ASP 30 H ASP 30 -12.904 9.954 -26.971 193 HA ASP 30 HA ASP 30 -12.962 7.258 -27.481 194 HB2 ASP 30 2HB ASP 30 -14.173 9.625 -28.844 195 HB3 ASP 30 3HB ASP 30 -14.310 8.046 -29.614 196 H TRP 31 H TRP 31 -11.337 9.782 -29.312 197 HA TRP 31 HA TRP 31 -9.377 8.125 -30.372 198 HB2 TRP 31 2HB TRP 31 -10.181 8.169 -32.814 199 HB3 TRP 31 3HB TRP 31 -10.912 6.982 -31.737 200 HD1 TRP 31 HD1 TRP 31 -11.970 10.686 -31.926 201 HE1 TRP 31 HE1 TRP 31 -14.432 10.781 -32.672 202 HE3 TRP 31 HE3 TRP 31 -12.724 5.719 -32.872 203 HZ2 TRP 31 HZ2 TRP 31 -16.429 8.988 -33.545 204 HZ3 TRP 31 HZ3 TRP 31 -14.939 4.991 -33.659 205 HH2 TRP 31 HH2 TRP 31 -16.752 6.593 -33.987 206 H CYS 32 H CYS 32 -9.124 10.506 -29.278 207 HA CYS 32 HA CYS 32 -9.288 12.735 -31.001 208 HB2 CYS 32 2HB CYS 32 -8.149 12.138 -28.365 209 HB3 CYS 32 3HB CYS 32 -7.250 13.357 -29.260 210 HG CYS 32 HG CYS 32 -8.821 15.302 -28.703 211 HA PRO 33 HA PRO 33 -5.753 12.487 -33.582 212 HB2 PRO 33 2HB PRO 33 -4.762 15.014 -33.525 213 HB3 PRO 33 3HB PRO 33 -6.264 14.589 -34.354 214 HG2 PRO 33 2HG PRO 33 -5.874 15.820 -31.653 215 HG3 PRO 33 3HG PRO 33 -7.048 16.238 -32.915 216 HD2 PRO 33 2HD PRO 33 -7.699 14.733 -30.760 217 HD3 PRO 33 3HD PRO 33 -8.464 14.510 -32.347 218 H VAL 34 H VAL 34 -5.258 13.762 -30.358 219 HA VAL 34 HA VAL 34 -2.386 13.534 -30.464 220 HB VAL 34 HB VAL 34 -3.955 13.772 -27.918 221 HG11 VAL 34 1HG1 VAL 34 -1.824 15.499 -27.848 222 HG12 VAL 34 2HG1 VAL 34 -1.847 13.867 -27.178 223 HG13 VAL 34 3HG1 VAL 34 -1.199 14.149 -28.795 224 HG21 VAL 34 1HG2 VAL 34 -3.618 15.827 -30.065 225 HG22 VAL 34 2HG2 VAL 34 -5.042 15.443 -29.099 226 HG23 VAL 34 3HG2 VAL 34 -3.693 16.315 -28.372 227 H CYS 35 H CYS 35 -5.014 11.804 -28.801 228 HA CYS 35 HA CYS 35 -3.311 9.832 -27.667 229 HB2 CYS 35 2HB CYS 35 -5.336 10.085 -26.535 230 HB3 CYS 35 3HB CYS 35 -6.278 10.104 -28.021 231 HG CYS 35 HG CYS 35 -7.075 7.784 -26.932 232 H LYS 36 H LYS 36 -5.080 10.095 -30.675 233 HA LYS 36 HA LYS 36 -4.752 7.351 -31.424 234 HB2 LYS 36 2HB LYS 36 -6.584 8.787 -32.288 235 HB3 LYS 36 3HB LYS 36 -5.393 9.742 -33.161 236 HG2 LYS 36 2HG LYS 36 -4.745 7.412 -34.182 237 HG3 LYS 36 3HG LYS 36 -6.392 6.994 -33.702 238 HD2 LYS 36 2HD LYS 36 -7.282 8.191 -35.368 239 HD3 LYS 36 3HD LYS 36 -6.236 9.574 -35.037 240 HE2 LYS 36 2HE LYS 36 -4.891 7.259 -36.247 241 HE3 LYS 36 3HE LYS 36 -6.103 8.030 -37.269 242 HZ1 LYS 36 1HZ LYS 36 -4.362 9.338 -37.792 243 HZ2 LYS 36 2HZ LYS 36 -3.539 9.044 -36.344 244 HZ3 LYS 36 3HZ LYS 36 -4.807 10.164 -36.383 245 H ARG 37 H ARG 37 -2.958 10.318 -31.908 246 HA ARG 37 HA ARG 37 -1.139 9.078 -33.800 247 HB2 ARG 37 2HB ARG 37 -1.844 11.470 -33.996 248 HB3 ARG 37 3HB ARG 37 -0.963 11.805 -32.512 249 HG2 ARG 37 2HG ARG 37 1.078 11.613 -33.511 250 HG3 ARG 37 3HG ARG 37 0.493 10.488 -34.739 251 HD2 ARG 37 2HD ARG 37 -0.202 13.420 -34.627 252 HD3 ARG 37 3HD ARG 37 1.075 12.734 -35.630 253 HE ARG 37 HE ARG 37 -1.485 11.511 -36.057 254 HH11 ARG 37 1HH1 ARG 37 0.579 14.179 -36.917 255 HH12 ARG 37 2HH1 ARG 37 -0.178 14.439 -38.454 256 HH21 ARG 37 1HH2 ARG 37 -2.490 11.844 -38.077 257 HH22 ARG 37 2HH2 ARG 37 -1.924 13.111 -39.112 258 H GLN 38 H GLN 38 -1.373 9.626 -30.412 259 HA GLN 38 HA GLN 38 1.459 9.362 -29.908 260 HB2 GLN 38 2HB GLN 38 0.125 10.761 -28.432 261 HB3 GLN 38 3HB GLN 38 -0.911 9.397 -28.033 262 HG2 GLN 38 2HG GLN 38 0.895 8.286 -26.906 263 HG3 GLN 38 3HG GLN 38 2.031 9.532 -27.420 264 HE21 GLN 38 1HE2 GLN 38 2.046 11.504 -26.388 265 HE22 GLN 38 2HE2 GLN 38 1.204 11.792 -24.907 266 H GLU 39 H GLU 39 -1.263 7.288 -30.239 267 HA GLU 39 HA GLU 39 -0.574 5.120 -28.650 268 HB2 GLU 39 2HB GLU 39 -2.040 3.823 -29.970 269 HB3 GLU 39 3HB GLU 39 -2.687 5.457 -30.026 270 HG2 GLU 39 2HG GLU 39 -1.361 5.691 -32.209 271 HG3 GLU 39 3HG GLU 39 -1.252 3.932 -32.163 272 H ARG 40 H ARG 40 0.856 6.260 -31.587 273 HA ARG 40 HA ARG 40 2.213 3.814 -32.231 274 HB2 ARG 40 2HB ARG 40 3.278 5.050 -33.977 275 HB3 ARG 40 3HB ARG 40 1.604 5.583 -33.904 276 HG2 ARG 40 2HG ARG 40 2.609 7.605 -34.061 277 HG3 ARG 40 3HG ARG 40 2.659 7.420 -32.307 278 HD2 ARG 40 2HD ARG 40 4.921 6.857 -32.310 279 HD3 ARG 40 3HD ARG 40 4.909 6.437 -34.022 280 HE ARG 40 HE ARG 40 4.314 9.190 -33.616 281 HH11 ARG 40 1HH1 ARG 40 6.923 6.886 -33.699 282 HH12 ARG 40 2HH1 ARG 40 8.118 8.058 -34.143 283 HH21 ARG 40 1HH2 ARG 40 5.879 10.743 -34.201 284 HH22 ARG 40 2HH2 ARG 40 7.523 10.252 -34.428 285 H GLU 41 H GLU 41 2.881 6.636 -30.304 286 HA GLU 41 HA GLU 41 5.695 5.974 -30.019 287 HB2 GLU 41 2HB GLU 41 3.949 8.196 -28.994 288 HB3 GLU 41 3HB GLU 41 5.562 7.940 -28.345 289 HG2 GLU 41 2HG GLU 41 6.228 7.972 -30.889 290 HG3 GLU 41 3HG GLU 41 4.724 8.880 -31.034 291 H LEU 42 H LEU 42 2.945 4.757 -28.760 292 HA LEU 42 HA LEU 42 3.338 4.676 -25.997 293 HB2 LEU 42 2HB LEU 42 1.566 3.299 -25.970 294 HB3 LEU 42 3HB LEU 42 1.436 3.760 -27.666 295 HG LEU 42 HG LEU 42 2.782 1.257 -26.651 296 HD11 LEU 42 1HD1 LEU 42 0.056 1.702 -27.854 297 HD12 LEU 42 2HD1 LEU 42 0.429 1.088 -26.244 298 HD13 LEU 42 3HD1 LEU 42 0.817 0.122 -27.667 299 HD21 LEU 42 1HD2 LEU 42 3.582 0.994 -28.703 300 HD22 LEU 42 2HD2 LEU 42 3.013 2.616 -29.100 301 HD23 LEU 42 3HD2 LEU 42 1.977 1.219 -29.400 302 H THR 43 H THR 43 5.111 3.206 -28.503 303 HA THR 43 HA THR 43 6.110 0.989 -26.958 304 HB THR 43 HB THR 43 7.862 1.490 -29.117 305 HG1 THR 43 HG1 THR 43 5.124 1.734 -29.879 306 HG21 THR 43 1HG2 THR 43 5.579 -0.396 -29.411 307 HG22 THR 43 2HG2 THR 43 6.696 -0.649 -28.070 308 HG23 THR 43 3HG2 THR 43 7.295 -0.642 -29.728 309 HA PRO 44 HA PRO 44 10.157 3.600 -26.888 310 HB2 PRO 44 2HB PRO 44 10.068 6.111 -27.915 311 HB3 PRO 44 3HB PRO 44 10.452 4.688 -28.890 312 HG2 PRO 44 2HG PRO 44 7.857 6.158 -28.623 313 HG3 PRO 44 3HG PRO 44 8.636 5.518 -30.083 314 HD2 PRO 44 2HD PRO 44 6.606 4.234 -28.833 315 HD3 PRO 44 3HD PRO 44 7.901 3.370 -29.686 316 H LEU 45 H LEU 45 7.066 5.082 -26.324 317 HA LEU 45 HA LEU 45 8.090 6.884 -24.291 318 HB2 LEU 45 2HB LEU 45 6.257 7.577 -25.771 319 HB3 LEU 45 3HB LEU 45 5.256 6.279 -25.124 320 HG LEU 45 HG LEU 45 6.279 8.071 -23.062 321 HD11 LEU 45 1HD1 LEU 45 4.600 9.167 -25.302 322 HD12 LEU 45 2HD1 LEU 45 6.109 9.809 -24.653 323 HD13 LEU 45 3HD1 LEU 45 4.634 9.879 -23.689 324 HD21 LEU 45 1HD2 LEU 45 4.534 6.371 -22.729 325 HD22 LEU 45 2HD2 LEU 45 3.492 7.235 -23.859 326 HD23 LEU 45 3HD2 LEU 45 3.965 7.995 -22.339 327 H PHE 46 H PHE 46 6.713 3.729 -24.521 328 HA PHE 46 HA PHE 46 6.496 3.611 -21.585 329 HB2 PHE 46 2HB PHE 46 4.463 3.148 -23.291 330 HB3 PHE 46 3HB PHE 46 5.152 1.530 -23.214 331 HD1 PHE 46 HD1 PHE 46 3.503 4.192 -21.314 332 HD2 PHE 46 HD2 PHE 46 5.034 0.222 -21.205 333 HE1 PHE 46 HE1 PHE 46 2.326 3.800 -19.189 334 HE2 PHE 46 HE2 PHE 46 3.858 -0.177 -19.081 335 HZ PHE 46 HZ PHE 46 2.502 1.613 -18.070 336 H ALA 47 H ALA 47 8.657 2.986 -23.779 337 HA ALA 47 HA ALA 47 9.212 0.206 -23.466 338 HB1 ALA 47 1HB ALA 47 10.558 0.620 -25.178 339 HB2 ALA 47 2HB ALA 47 10.208 2.343 -25.028 340 HB3 ALA 47 3HB ALA 47 11.571 1.641 -24.157 341 H GLN 48 H GLN 48 9.517 2.797 -21.375 342 HA GLN 48 HA GLN 48 11.731 1.532 -19.908 343 HB2 GLN 48 2HB GLN 48 10.652 4.279 -19.338 344 HB3 GLN 48 3HB GLN 48 12.228 3.613 -18.933 345 HG2 GLN 48 2HG GLN 48 11.270 4.273 -21.709 346 HG3 GLN 48 3HG GLN 48 12.354 5.261 -20.731 347 HE21 GLN 48 1HE2 GLN 48 14.352 4.123 -19.977 348 HE22 GLN 48 2HE2 GLN 48 15.133 3.071 -21.103 349 HA PRO 49 HA PRO 49 8.832 0.154 -16.881 350 HB2 PRO 49 2HB PRO 49 10.592 -0.356 -14.878 351 HB3 PRO 49 3HB PRO 49 10.424 -1.397 -16.297 352 HG2 PRO 49 2HG PRO 49 12.465 0.718 -15.730 353 HG3 PRO 49 3HG PRO 49 12.691 -0.896 -16.428 354 HD2 PRO 49 2HD PRO 49 12.607 1.346 -17.943 355 HD3 PRO 49 3HD PRO 49 12.014 -0.222 -18.525 356 H ALA 50 H ALA 50 8.273 2.643 -16.964 357 HA ALA 50 HA ALA 50 9.083 3.995 -14.500 358 HB1 ALA 50 1HB ALA 50 8.394 4.872 -17.114 359 HB2 ALA 50 2HB ALA 50 7.240 5.563 -15.973 360 HB3 ALA 50 3HB ALA 50 8.969 5.825 -15.745 361 H GLN 51 H GLN 51 6.256 2.627 -16.081 362 HA GLN 51 HA GLN 51 4.324 3.580 -14.253 363 HB2 GLN 51 2HB GLN 51 2.810 2.076 -15.281 364 HB3 GLN 51 3HB GLN 51 3.901 2.608 -16.554 365 HG2 GLN 51 2HG GLN 51 4.278 0.487 -17.037 366 HG3 GLN 51 3HG GLN 51 5.079 0.319 -15.476 367 HE21 GLN 51 1HE2 GLN 51 1.719 0.607 -16.592 368 HE22 GLN 51 2HE2 GLN 51 1.132 -0.759 -15.712 369 H ARG 52 H ARG 52 6.802 1.357 -13.854 370 HA ARG 52 HA ARG 52 5.456 -0.383 -11.989 371 HB2 ARG 52 2HB ARG 52 7.301 -1.225 -13.367 372 HB3 ARG 52 3HB ARG 52 8.396 -0.067 -12.623 373 HG2 ARG 52 2HG ARG 52 7.731 -1.212 -10.407 374 HG3 ARG 52 3HG ARG 52 7.159 -2.519 -11.445 375 HD2 ARG 52 2HD ARG 52 9.377 -2.697 -12.451 376 HD3 ARG 52 3HD ARG 52 9.949 -1.373 -11.437 377 HE ARG 52 HE ARG 52 9.621 -4.112 -10.673 378 HH11 ARG 52 1HH1 ARG 52 9.622 -0.828 -9.515 379 HH12 ARG 52 2HH1 ARG 52 10.042 -1.263 -7.892 380 HH21 ARG 52 1HH2 ARG 52 10.174 -4.697 -8.539 381 HH22 ARG 52 2HH2 ARG 52 10.357 -3.464 -7.338 382 H ASP 53 H ASP 53 7.303 2.553 -11.870 383 HA ASP 53 HA ASP 53 7.180 2.482 -8.925 384 HB2 ASP 53 2HB ASP 53 9.359 3.177 -10.754 385 HB3 ASP 53 3HB ASP 53 9.063 4.405 -9.526 386 H LEU 54 H LEU 54 5.707 3.753 -11.517 387 HA LEU 54 HA LEU 54 4.897 6.144 -10.029 388 HB2 LEU 54 2HB LEU 54 6.158 7.325 -11.477 389 HB3 LEU 54 3HB LEU 54 6.178 6.033 -12.675 390 HG LEU 54 HG LEU 54 3.835 6.712 -13.292 391 HD11 LEU 54 1HD1 LEU 54 4.426 8.718 -11.197 392 HD12 LEU 54 2HD1 LEU 54 2.896 7.972 -11.658 393 HD13 LEU 54 3HD1 LEU 54 3.570 9.278 -12.633 394 HD21 LEU 54 1HD2 LEU 54 6.196 8.526 -13.663 395 HD22 LEU 54 2HD2 LEU 54 4.645 8.856 -14.436 396 HD23 LEU 54 3HD2 LEU 54 5.507 7.358 -14.791 397 H ARG 55 H ARG 55 2.757 6.353 -9.913 398 HA ARG 55 HA ARG 55 1.017 4.422 -11.000 399 HB2 ARG 55 2HB ARG 55 0.724 6.931 -9.447 400 HB3 ARG 55 3HB ARG 55 -0.693 6.389 -10.336 401 HG2 ARG 55 2HG ARG 55 -1.021 5.370 -8.314 402 HG3 ARG 55 3HG ARG 55 -0.172 4.098 -9.195 403 HD2 ARG 55 2HD ARG 55 1.344 6.090 -7.554 404 HD3 ARG 55 3HD ARG 55 0.580 4.697 -6.789 405 HE ARG 55 HE ARG 55 2.061 3.728 -8.920 406 HH11 ARG 55 1HH1 ARG 55 2.642 5.431 -5.940 407 HH12 ARG 55 2HH1 ARG 55 4.230 4.773 -5.722 408 HH21 ARG 55 1HH2 ARG 55 4.150 2.855 -8.644 409 HH22 ARG 55 2HH2 ARG 55 5.087 3.308 -7.261 410 H VAL 56 H VAL 56 -1.105 5.339 -12.139 411 HA VAL 56 HA VAL 56 -0.478 7.252 -14.236 412 HB VAL 56 HB VAL 56 0.305 5.343 -15.371 413 HG11 VAL 56 1HG1 VAL 56 -1.755 3.463 -15.427 414 HG12 VAL 56 2HG1 VAL 56 -0.216 3.333 -14.573 415 HG13 VAL 56 3HG1 VAL 56 -1.636 3.968 -13.742 416 HG21 VAL 56 1HG2 VAL 56 -1.476 6.789 -16.515 417 HG22 VAL 56 2HG2 VAL 56 -1.092 5.229 -17.244 418 HG23 VAL 56 3HG2 VAL 56 -2.555 5.414 -16.277 419 H PHE 57 H PHE 57 -2.190 8.500 -14.581 420 HA PHE 57 HA PHE 57 -4.826 7.519 -13.725 421 HB2 PHE 57 2HB PHE 57 -3.541 10.213 -13.739 422 HB3 PHE 57 3HB PHE 57 -5.289 10.123 -13.928 423 HD1 PHE 57 HD1 PHE 57 -3.216 7.840 -11.897 424 HD2 PHE 57 HD2 PHE 57 -5.958 11.095 -11.892 425 HE1 PHE 57 HE1 PHE 57 -3.464 7.623 -9.458 426 HE2 PHE 57 HE2 PHE 57 -6.210 10.884 -9.454 427 HZ PHE 57 HZ PHE 57 -4.962 9.147 -8.234 428 H LYS 58 H LYS 58 -6.500 7.426 -15.118 429 HA LYS 58 HA LYS 58 -6.029 8.390 -17.864 430 HB2 LYS 58 2HB LYS 58 -7.259 5.843 -16.859 431 HB3 LYS 58 3HB LYS 58 -7.707 6.482 -18.436 432 HG2 LYS 58 2HG LYS 58 -4.847 6.453 -18.133 433 HG3 LYS 58 3HG LYS 58 -5.529 4.856 -17.821 434 HD2 LYS 58 2HD LYS 58 -6.532 6.348 -20.184 435 HD3 LYS 58 3HD LYS 58 -4.902 5.677 -20.270 436 HE2 LYS 58 2HE LYS 58 -7.293 4.051 -19.439 437 HE3 LYS 58 3HE LYS 58 -6.785 4.204 -21.120 438 HZ1 LYS 58 1HZ LYS 58 -4.926 2.966 -20.771 439 HZ2 LYS 58 2HZ LYS 58 -5.931 2.257 -19.610 440 HZ3 LYS 58 3HZ LYS 58 -4.780 3.405 -19.143 441 H VAL 59 H VAL 59 -7.134 10.292 -17.811 442 HA VAL 59 HA VAL 59 -9.922 10.242 -16.883 443 HB VAL 59 HB VAL 59 -8.737 11.986 -15.800 444 HG11 VAL 59 1HG1 VAL 59 -7.730 12.786 -18.528 445 HG12 VAL 59 2HG1 VAL 59 -7.477 13.713 -17.048 446 HG13 VAL 59 3HG1 VAL 59 -6.782 12.099 -17.210 447 HG21 VAL 59 1HG2 VAL 59 -9.997 13.541 -18.014 448 HG22 VAL 59 2HG2 VAL 59 -10.996 12.473 -17.028 449 HG23 VAL 59 3HG2 VAL 59 -10.095 13.787 -16.270 450 H ASN 60 H ASN 60 -11.603 10.844 -18.203 451 HA ASN 60 HA ASN 60 -10.955 11.041 -21.066 452 HB2 ASN 60 2HB ASN 60 -12.330 9.084 -20.328 453 HB3 ASN 60 3HB ASN 60 -13.580 10.212 -19.812 454 HD21 ASN 60 1HD2 ASN 60 -11.836 8.930 -22.557 455 HD22 ASN 60 2HD2 ASN 60 -12.998 9.385 -23.752 456 H PHE 61 H PHE 61 -12.207 12.469 -22.390 457 HA PHE 61 HA PHE 61 -12.489 15.048 -21.347 458 HB2 PHE 61 2HB PHE 61 -12.117 14.900 -23.667 459 HB3 PHE 61 3HB PHE 61 -13.436 13.757 -23.894 460 HD1 PHE 61 HD1 PHE 61 -15.738 14.514 -23.988 461 HD2 PHE 61 HD2 PHE 61 -12.527 17.267 -23.517 462 HE1 PHE 61 HE1 PHE 61 -17.245 16.367 -24.581 463 HE2 PHE 61 HE2 PHE 61 -14.028 19.124 -24.109 464 HZ PHE 61 HZ PHE 61 -16.390 18.676 -24.641 465 H ASP 62 H ASP 62 -14.600 12.379 -21.224 466 HA ASP 62 HA ASP 62 -17.064 13.821 -21.051 467 HB2 ASP 62 2HB ASP 62 -16.318 11.000 -20.261 468 HB3 ASP 62 3HB ASP 62 -17.957 11.641 -20.180 469 H THR 63 H THR 63 -14.490 13.246 -18.903 470 HA THR 63 HA THR 63 -16.175 13.981 -16.599 471 HB THR 63 HB THR 63 -13.465 12.656 -16.459 472 HG1 THR 63 HG1 THR 63 -15.134 11.327 -17.466 473 HG21 THR 63 1HG2 THR 63 -14.937 12.047 -14.198 474 HG22 THR 63 2HG2 THR 63 -15.341 13.735 -14.514 475 HG23 THR 63 3HG2 THR 63 -13.657 13.253 -14.311 476 H GLN 64 H GLN 64 -13.258 14.691 -18.399 477 HA GLN 64 HA GLN 64 -12.598 16.893 -16.592 478 HB2 GLN 64 2HB GLN 64 -11.090 15.164 -18.328 479 HB3 GLN 64 3HB GLN 64 -10.798 16.843 -18.762 480 HG2 GLN 64 2HG GLN 64 -10.116 17.352 -16.506 481 HG3 GLN 64 3HG GLN 64 -10.517 15.716 -15.986 482 HE21 GLN 64 1HE2 GLN 64 -8.101 16.394 -15.361 483 HE22 GLN 64 2HE2 GLN 64 -6.915 15.721 -16.422 484 H LYS 65 H LYS 65 -14.909 16.788 -18.543 485 HA LYS 65 HA LYS 65 -14.483 18.479 -20.716 486 HB2 LYS 65 2HB LYS 65 -16.846 18.756 -20.808 487 HB3 LYS 65 3HB LYS 65 -16.552 17.123 -20.227 488 HG2 LYS 65 2HG LYS 65 -16.984 17.854 -17.938 489 HG3 LYS 65 3HG LYS 65 -17.275 19.496 -18.518 490 HD2 LYS 65 2HD LYS 65 -18.847 17.087 -19.422 491 HD3 LYS 65 3HD LYS 65 -19.346 18.151 -18.105 492 HE2 LYS 65 2HE LYS 65 -19.391 20.045 -19.642 493 HE3 LYS 65 3HE LYS 65 -18.854 19.002 -20.958 494 HZ1 LYS 65 1HZ LYS 65 -21.360 19.522 -20.663 495 HZ2 LYS 65 2HZ LYS 65 -21.299 18.317 -19.477 496 HZ3 LYS 65 3HZ LYS 65 -20.876 17.953 -21.074 497 H ALA 66 H ALA 66 -14.453 19.176 -17.381 498 HA ALA 66 HA ALA 66 -15.082 21.993 -17.703 499 HB1 ALA 66 1HB ALA 66 -13.987 20.795 -15.190 500 HB2 ALA 66 2HB ALA 66 -15.107 22.143 -15.392 501 HB3 ALA 66 3HB ALA 66 -15.656 20.492 -15.674 502 H ALA 67 H ALA 67 -12.400 20.068 -18.154 503 HA ALA 67 HA ALA 67 -10.398 21.887 -17.165 504 HB1 ALA 67 1HB ALA 67 -8.955 20.211 -17.509 505 HB2 ALA 67 2HB ALA 67 -10.395 19.226 -17.769 506 HB3 ALA 67 3HB ALA 67 -9.538 19.916 -19.147 507 H LEU 68 H LEU 68 -11.475 20.857 -20.403 508 HA LEU 68 HA LEU 68 -9.914 22.909 -21.691 509 HB2 LEU 68 2HB LEU 68 -11.323 22.078 -23.712 510 HB3 LEU 68 3HB LEU 68 -10.059 21.055 -23.032 511 HG LEU 68 HG LEU 68 -12.274 19.952 -23.659 512 HD11 LEU 68 1HD1 LEU 68 -12.144 18.987 -21.051 513 HD12 LEU 68 2HD1 LEU 68 -10.519 19.574 -21.403 514 HD13 LEU 68 3HD1 LEU 68 -11.273 18.378 -22.458 515 HD21 LEU 68 1HD2 LEU 68 -14.124 20.172 -22.246 516 HD22 LEU 68 2HD2 LEU 68 -13.585 21.830 -22.515 517 HD23 LEU 68 3HD2 LEU 68 -13.192 21.009 -21.004 518 H GLN 69 H GLN 69 -13.011 22.693 -20.297 519 HA GLN 69 HA GLN 69 -14.190 24.784 -21.918 520 HB2 GLN 69 2HB GLN 69 -15.121 23.102 -19.621 521 HB3 GLN 69 3HB GLN 69 -15.999 24.568 -20.038 522 HG2 GLN 69 2HG GLN 69 -15.401 22.747 -22.273 523 HG3 GLN 69 3HG GLN 69 -16.540 22.150 -21.068 524 HE21 GLN 69 1HE2 GLN 69 -15.988 25.433 -22.257 525 HE22 GLN 69 2HE2 GLN 69 -17.588 25.674 -22.861 526 H GLN 70 H GLN 70 -12.531 24.457 -18.880 527 HA GLN 70 HA GLN 70 -13.207 27.182 -18.086 528 HB2 GLN 70 2HB GLN 70 -13.193 25.300 -16.426 529 HB3 GLN 70 3HB GLN 70 -11.453 25.186 -16.649 530 HG2 GLN 70 2HG GLN 70 -11.053 27.208 -15.603 531 HG3 GLN 70 3HG GLN 70 -12.699 27.782 -15.861 532 HE21 GLN 70 1HE2 GLN 70 -11.481 24.750 -14.504 533 HE22 GLN 70 2HE2 GLN 70 -12.258 24.920 -12.971 534 H PHE 71 H PHE 71 -10.461 25.259 -19.154 535 HA PHE 71 HA PHE 71 -8.640 27.506 -18.914 536 HB2 PHE 71 2HB PHE 71 -8.268 24.681 -19.920 537 HB3 PHE 71 3HB PHE 71 -6.983 25.884 -19.898 538 HD1 PHE 71 HD1 PHE 71 -7.368 27.212 -17.345 539 HD2 PHE 71 HD2 PHE 71 -7.712 23.090 -18.348 540 HE1 PHE 71 HE1 PHE 71 -6.840 26.606 -15.019 541 HE2 PHE 71 HE2 PHE 71 -7.186 22.477 -16.024 542 HZ PHE 71 HZ PHE 71 -6.750 24.236 -14.356 543 H ARG 72 H ARG 72 -10.936 26.590 -21.095 544 HA ARG 72 HA ARG 72 -11.449 27.264 -23.207 545 HB2 ARG 72 2HB ARG 72 -10.246 29.403 -22.195 546 HB3 ARG 72 3HB ARG 72 -9.028 28.993 -23.396 547 HG2 ARG 72 2HG ARG 72 -10.306 30.389 -24.642 548 HG3 ARG 72 3HG ARG 72 -11.154 28.877 -24.970 549 HD2 ARG 72 2HD ARG 72 -13.016 29.776 -24.161 550 HD3 ARG 72 3HD ARG 72 -12.236 29.924 -22.587 551 HE ARG 72 HE ARG 72 -11.992 32.172 -22.956 552 HH11 ARG 72 1HH1 ARG 72 -12.777 30.594 -25.958 553 HH12 ARG 72 2HH1 ARG 72 -13.002 32.075 -26.828 554 HH21 ARG 72 1HH2 ARG 72 -12.285 34.129 -24.090 555 HH22 ARG 72 2HH2 ARG 72 -12.721 34.085 -25.765 556 H VAL 73 H VAL 73 -10.111 24.901 -22.997 557 HA VAL 73 HA VAL 73 -8.265 24.953 -25.296 558 HB VAL 73 HB VAL 73 -8.182 22.567 -23.580 559 HG11 VAL 73 1HG1 VAL 73 -5.679 23.893 -23.946 560 HG12 VAL 73 2HG1 VAL 73 -6.242 22.372 -24.642 561 HG13 VAL 73 3HG1 VAL 73 -6.564 23.895 -25.471 562 HG21 VAL 73 1HG2 VAL 73 -8.483 24.224 -21.840 563 HG22 VAL 73 2HG2 VAL 73 -6.814 23.654 -21.840 564 HG23 VAL 73 3HG2 VAL 73 -7.210 25.225 -22.537 565 H SER 74 H SER 74 -8.154 22.262 -25.830 566 HA SER 74 HA SER 74 -10.665 20.981 -25.986 567 HB2 SER 74 2HB SER 74 -9.962 22.852 -28.172 568 HB3 SER 74 3HB SER 74 -10.556 21.269 -28.674 569 HG SER 74 HG SER 74 -11.860 23.310 -27.281 570 H GLN 75 H GLN 75 -8.971 19.496 -25.186 571 HA GLN 75 HA GLN 75 -8.310 17.560 -27.078 572 HB2 GLN 75 2HB GLN 75 -6.378 19.714 -26.860 573 HB3 GLN 75 3HB GLN 75 -5.660 18.162 -26.450 574 HG2 GLN 75 2HG GLN 75 -5.774 17.398 -28.558 575 HG3 GLN 75 3HG GLN 75 -7.321 18.182 -28.874 576 HE21 GLN 75 1HE2 GLN 75 -7.359 20.086 -29.920 577 HE22 GLN 75 2HE2 GLN 75 -5.956 20.939 -30.453 578 H GLN 76 H GLN 76 -7.065 15.775 -26.169 579 HA GLN 76 HA GLN 76 -7.069 15.825 -23.223 580 HB2 GLN 76 2HB GLN 76 -7.325 13.226 -23.638 581 HB3 GLN 76 3HB GLN 76 -8.724 14.292 -23.627 582 HG2 GLN 76 2HG GLN 76 -9.079 12.997 -25.501 583 HG3 GLN 76 3HG GLN 76 -8.345 14.454 -26.168 584 HE21 GLN 76 1HE2 GLN 76 -6.332 14.350 -27.082 585 HE22 GLN 76 2HE2 GLN 76 -5.508 12.864 -27.391 586 H SER 77 H SER 77 -4.845 16.566 -23.380 587 HA SER 77 HA SER 77 -3.008 14.302 -23.605 588 HB2 SER 77 2HB SER 77 -1.387 16.137 -24.660 589 HB3 SER 77 3HB SER 77 -2.448 15.150 -25.665 590 HG SER 77 HG SER 77 -3.432 16.903 -26.237 591 H THR 78 H THR 78 -4.261 16.245 -21.557 592 HA THR 78 HA THR 78 -2.176 17.785 -20.442 593 HB THR 78 HB THR 78 -4.748 16.712 -19.305 594 HG1 THR 78 HG1 THR 78 -3.762 19.245 -20.123 595 HG21 THR 78 1HG2 THR 78 -2.521 18.142 -17.892 596 HG22 THR 78 2HG2 THR 78 -3.463 16.750 -17.359 597 HG23 THR 78 3HG2 THR 78 -4.196 18.354 -17.385 598 H LEU 79 H LEU 79 -0.400 17.151 -19.424 599 HA LEU 79 HA LEU 79 -0.447 14.611 -17.940 600 HB2 LEU 79 2HB LEU 79 0.827 14.813 -20.275 601 HB3 LEU 79 3HB LEU 79 2.087 15.458 -19.225 602 HG LEU 79 HG LEU 79 0.846 12.712 -19.106 603 HD11 LEU 79 1HD1 LEU 79 3.160 11.990 -19.557 604 HD12 LEU 79 2HD1 LEU 79 3.628 13.679 -19.750 605 HD13 LEU 79 3HD1 LEU 79 2.476 12.950 -20.869 606 HD21 LEU 79 1HD2 LEU 79 2.779 12.476 -17.355 607 HD22 LEU 79 2HD2 LEU 79 1.202 13.101 -16.871 608 HD23 LEU 79 3HD2 LEU 79 2.539 14.213 -17.164 609 H ILE 80 H ILE 80 0.442 14.659 -15.951 610 HA ILE 80 HA ILE 80 2.360 16.649 -15.170 611 HB ILE 80 HB ILE 80 0.469 18.069 -14.917 612 HG12 ILE 80 2HG1 ILE 80 0.857 16.977 -12.138 613 HG13 ILE 80 3HG1 ILE 80 2.155 17.814 -12.982 614 HG21 ILE 80 1HG2 ILE 80 -0.888 15.956 -13.257 615 HG22 ILE 80 2HG2 ILE 80 -1.562 17.482 -13.827 616 HG23 ILE 80 3HG2 ILE 80 -1.198 16.195 -14.976 617 HD11 ILE 80 1HD1 ILE 80 -0.282 19.333 -13.105 618 HD12 ILE 80 2HD1 ILE 80 0.142 18.945 -11.438 619 HD13 ILE 80 3HD1 ILE 80 1.298 19.786 -12.470 620 H LEU 81 H LEU 81 3.731 15.308 -14.182 621 HA LEU 81 HA LEU 81 2.676 13.238 -12.395 622 HB2 LEU 81 2HB LEU 81 4.159 12.208 -13.817 623 HB3 LEU 81 3HB LEU 81 5.219 13.613 -13.899 624 HG LEU 81 HG LEU 81 5.112 12.342 -11.260 625 HD11 LEU 81 1HD1 LEU 81 5.018 10.518 -13.217 626 HD12 LEU 81 2HD1 LEU 81 5.932 10.290 -11.726 627 HD13 LEU 81 3HD1 LEU 81 6.754 10.828 -13.191 628 HD21 LEU 81 1HD2 LEU 81 7.021 13.461 -11.135 629 HD22 LEU 81 2HD2 LEU 81 6.841 13.959 -12.817 630 HD23 LEU 81 3HD2 LEU 81 7.701 12.469 -12.426 631 H TYR 82 H TYR 82 2.454 13.859 -10.351 632 HA TYR 82 HA TYR 82 4.219 15.890 -9.233 633 HB2 TYR 82 2HB TYR 82 2.576 16.322 -7.717 634 HB3 TYR 82 3HB TYR 82 1.571 15.545 -8.935 635 HD1 TYR 82 HD1 TYR 82 3.016 15.265 -5.605 636 HD2 TYR 82 HD2 TYR 82 0.795 13.232 -8.611 637 HE1 TYR 82 HE1 TYR 82 2.316 13.589 -3.946 638 HE2 TYR 82 HE2 TYR 82 0.088 11.551 -6.960 639 HH TYR 82 HH TYR 82 -0.149 11.686 -4.182 640 H ARG 83 H ARG 83 5.753 15.528 -7.729 641 HA ARG 83 HA ARG 83 6.020 12.788 -6.679 642 HB2 ARG 83 2HB ARG 83 7.722 13.893 -8.500 643 HB3 ARG 83 3HB ARG 83 8.508 14.334 -6.990 644 HG2 ARG 83 2HG ARG 83 7.632 11.542 -7.133 645 HG3 ARG 83 3HG ARG 83 8.871 11.992 -8.306 646 HD2 ARG 83 2HD ARG 83 10.453 12.181 -6.730 647 HD3 ARG 83 3HD ARG 83 9.372 13.024 -5.621 648 HE ARG 83 HE ARG 83 8.702 10.277 -5.768 649 HH11 ARG 83 1HH1 ARG 83 11.075 12.458 -4.450 650 HH12 ARG 83 2HH1 ARG 83 11.476 11.424 -3.119 651 HH21 ARG 83 1HH2 ARG 83 9.222 8.908 -4.019 652 HH22 ARG 83 2HH2 ARG 83 10.422 9.405 -2.875 653 H ASN 84 H ASN 84 5.253 13.128 -4.646 654 HA ASN 84 HA ASN 84 5.391 13.664 -2.432 655 HB2 ASN 84 2HB ASN 84 7.949 13.667 -3.064 656 HB3 ASN 84 3HB ASN 84 7.781 15.410 -2.872 657 HD21 ASN 84 1HD2 ASN 84 9.028 13.038 -1.324 658 HD22 ASN 84 2HD2 ASN 84 8.572 13.367 0.310 659 H GLY 85 H GLY 85 3.560 15.003 -3.729 660 HA2 GLY 85 2HA GLY 85 2.280 16.908 -3.722 661 HA3 GLY 85 3HA GLY 85 3.177 17.359 -2.279 662 H GLN 86 H GLN 86 4.590 16.864 -5.462 663 HA GLN 86 HA GLN 86 4.807 19.735 -5.896 664 HB2 GLN 86 2HB GLN 86 7.118 17.923 -5.308 665 HB3 GLN 86 3HB GLN 86 7.338 19.282 -6.402 666 HG2 GLN 86 2HG GLN 86 6.077 20.457 -4.288 667 HG3 GLN 86 3HG GLN 86 7.064 19.229 -3.497 668 HE21 GLN 86 1HE2 GLN 86 7.050 22.339 -4.278 669 HE22 GLN 86 2HE2 GLN 86 8.736 22.622 -4.529 670 H GLU 87 H GLU 87 5.015 20.304 -8.027 671 HA GLU 87 HA GLU 87 4.485 18.207 -9.949 672 HB2 GLU 87 2HB GLU 87 4.245 20.101 -11.553 673 HB3 GLU 87 3HB GLU 87 3.191 20.222 -10.151 674 HG2 GLU 87 2HG GLU 87 4.055 22.176 -9.570 675 HG3 GLU 87 3HG GLU 87 5.701 21.556 -9.675 676 H VAL 88 H VAL 88 5.893 17.343 -11.341 677 HA VAL 88 HA VAL 88 8.646 18.355 -11.307 678 HB VAL 88 HB VAL 88 7.674 15.721 -12.415 679 HG11 VAL 88 1HG1 VAL 88 10.427 16.651 -11.603 680 HG12 VAL 88 2HG1 VAL 88 10.011 15.065 -12.254 681 HG13 VAL 88 3HG1 VAL 88 9.841 16.504 -13.260 682 HG21 VAL 88 1HG2 VAL 88 8.449 16.524 -9.645 683 HG22 VAL 88 2HG2 VAL 88 7.141 15.470 -10.183 684 HG23 VAL 88 3HG2 VAL 88 8.807 14.894 -10.217 685 H ARG 89 H ARG 89 6.616 16.724 -13.746 686 HA ARG 89 HA ARG 89 7.424 18.783 -15.684 687 HB2 ARG 89 2HB ARG 89 7.821 15.854 -15.814 688 HB3 ARG 89 3HB ARG 89 7.228 16.614 -17.285 689 HG2 ARG 89 2HG ARG 89 9.716 17.420 -15.793 690 HG3 ARG 89 3HG ARG 89 9.669 16.421 -17.247 691 HD2 ARG 89 2HD ARG 89 8.191 18.617 -17.972 692 HD3 ARG 89 3HD ARG 89 9.445 19.316 -16.948 693 HE ARG 89 HE ARG 89 9.785 18.132 -19.552 694 HH11 ARG 89 1HH1 ARG 89 11.335 19.018 -16.564 695 HH12 ARG 89 2HH1 ARG 89 12.919 19.108 -17.260 696 HH21 ARG 89 1HH2 ARG 89 11.866 18.247 -20.481 697 HH22 ARG 89 2HH2 ARG 89 13.220 18.670 -19.489 698 H ARG 90 H ARG 90 5.938 19.214 -17.346 699 HA ARG 90 HA ARG 90 3.440 17.803 -17.502 700 HB2 ARG 90 2HB ARG 90 2.791 19.068 -15.622 701 HB3 ARG 90 3HB ARG 90 3.601 20.514 -16.210 702 HG2 ARG 90 2HG ARG 90 1.469 19.497 -17.951 703 HG3 ARG 90 3HG ARG 90 0.940 20.071 -16.368 704 HD2 ARG 90 2HD ARG 90 2.556 22.085 -16.992 705 HD3 ARG 90 3HD ARG 90 2.159 21.561 -18.628 706 HE ARG 90 HE ARG 90 -0.164 21.854 -16.997 707 HH11 ARG 90 1HH1 ARG 90 2.166 23.598 -18.908 708 HH12 ARG 90 2HH1 ARG 90 1.091 24.912 -19.255 709 HH21 ARG 90 1HH2 ARG 90 -1.588 23.579 -17.447 710 HH22 ARG 90 2HH2 ARG 90 -1.043 24.901 -18.422 711 H SER 91 H SER 91 2.448 18.116 -19.437 712 HA SER 91 HA SER 91 2.903 20.434 -21.057 713 HB2 SER 91 2HB SER 91 4.961 18.747 -21.255 714 HB3 SER 91 3HB SER 91 3.878 17.959 -22.402 715 HG SER 91 HG SER 91 4.774 20.651 -22.467 716 H ILE 92 H ILE 92 1.174 20.738 -22.305 717 HA ILE 92 HA ILE 92 -0.534 18.410 -22.902 718 HB ILE 92 HB ILE 92 -1.524 20.007 -21.254 719 HG12 ILE 92 2HG1 ILE 92 -2.751 18.611 -23.164 720 HG13 ILE 92 3HG1 ILE 92 -3.638 19.669 -22.072 721 HG21 ILE 92 1HG2 ILE 92 -0.630 22.086 -22.026 722 HG22 ILE 92 2HG2 ILE 92 -1.395 21.888 -23.602 723 HG23 ILE 92 3HG2 ILE 92 -2.386 22.162 -22.169 724 HD11 ILE 92 1HD1 ILE 92 -4.092 19.769 -24.615 725 HD12 ILE 92 2HD1 ILE 92 -3.979 21.268 -23.693 726 HD13 ILE 92 3HD1 ILE 92 -2.612 20.726 -24.665 727 H GLY 93 H GLY 93 -1.416 18.234 -24.940 728 HA2 GLY 93 2HA GLY 93 -1.964 19.027 -27.111 729 HA3 GLY 93 3HA GLY 93 -0.834 20.353 -26.883 730 H GLU 94 H GLU 94 -0.324 16.875 -26.412 731 HA GLU 94 HA GLU 94 1.130 15.407 -27.364 732 HB2 GLU 94 2HB GLU 94 -0.072 16.161 -29.453 733 HB3 GLU 94 3HB GLU 94 1.240 17.303 -29.711 734 HG2 GLU 94 2HG GLU 94 2.712 15.128 -29.469 735 HG3 GLU 94 3HG GLU 94 1.213 14.348 -29.972 736 H THR 95 H THR 95 3.056 15.265 -26.441 737 HA THR 95 HA THR 95 5.207 17.008 -27.275 738 HB THR 95 HB THR 95 5.298 16.901 -24.387 739 HG1 THR 95 HG1 THR 95 3.240 18.586 -25.317 740 HG21 THR 95 1HG2 THR 95 5.181 19.530 -25.057 741 HG22 THR 95 2HG2 THR 95 5.694 18.817 -26.586 742 HG23 THR 95 3HG2 THR 95 6.647 18.553 -25.126 743 H SER 96 H SER 96 7.217 16.398 -25.726 744 HA SER 96 HA SER 96 7.219 13.544 -25.128 745 HB2 SER 96 2HB SER 96 8.458 14.722 -27.494 746 HB3 SER 96 3HB SER 96 9.612 13.833 -26.500 747 HG SER 96 HG SER 96 7.387 12.916 -27.906 748 HA PRO 97 HA PRO 97 11.277 15.409 -23.356 749 HB2 PRO 97 2HB PRO 97 11.958 17.934 -24.085 750 HB3 PRO 97 3HB PRO 97 12.441 16.506 -25.006 751 HG2 PRO 97 2HG PRO 97 10.189 18.413 -25.510 752 HG3 PRO 97 3HG PRO 97 11.332 17.702 -26.664 753 HD2 PRO 97 2HD PRO 97 8.814 16.761 -26.341 754 HD3 PRO 97 3HD PRO 97 10.178 15.710 -26.773 755 H SER 98 H SER 98 8.350 17.155 -23.631 756 HA SER 98 HA SER 98 8.874 18.709 -21.204 757 HB2 SER 98 2HB SER 98 7.869 19.848 -23.186 758 HB3 SER 98 3HB SER 98 6.457 18.803 -23.025 759 HG SER 98 HG SER 98 7.396 20.445 -20.919 760 H ALA 99 H ALA 99 6.287 16.633 -22.519 761 HA ALA 99 HA ALA 99 5.252 16.157 -19.851 762 HB1 ALA 99 1HB ALA 99 4.232 15.991 -22.527 763 HB2 ALA 99 2HB ALA 99 3.941 14.475 -21.673 764 HB3 ALA 99 3HB ALA 99 3.357 15.996 -20.995 765 H LEU 100 H LEU 100 6.153 13.974 -22.531 766 HA LEU 100 HA LEU 100 6.296 11.629 -21.102 767 HB2 LEU 100 2HB LEU 100 6.507 11.258 -23.337 768 HB3 LEU 100 3HB LEU 100 7.571 12.642 -23.576 769 HG LEU 100 HG LEU 100 9.415 11.312 -22.545 770 HD11 LEU 100 1HD1 LEU 100 8.219 8.736 -23.024 771 HD12 LEU 100 2HD1 LEU 100 7.334 9.622 -21.784 772 HD13 LEU 100 3HD1 LEU 100 9.064 9.336 -21.598 773 HD21 LEU 100 1HD2 LEU 100 9.835 11.137 -24.729 774 HD22 LEU 100 2HD2 LEU 100 8.134 10.894 -25.124 775 HD23 LEU 100 3HD2 LEU 100 9.126 9.526 -24.619 776 H SER 101 H SER 101 8.456 14.312 -21.030 777 HA SER 101 HA SER 101 10.825 13.110 -20.187 778 HB2 SER 101 2HB SER 101 9.765 15.768 -20.347 779 HB3 SER 101 3HB SER 101 10.561 15.564 -18.786 780 HG SER 101 HG SER 101 11.873 16.231 -20.711 781 H ASP 102 H ASP 102 7.830 13.394 -18.584 782 HA ASP 102 HA ASP 102 8.927 13.159 -15.913 783 HB2 ASP 102 2HB ASP 102 6.739 13.403 -15.125 784 HB3 ASP 102 3HB ASP 102 6.744 14.373 -16.595 785 H PHE 103 H PHE 103 7.825 11.088 -18.440 786 HA PHE 103 HA PHE 103 7.427 8.805 -16.701 787 HB2 PHE 103 2HB PHE 103 6.371 9.475 -19.118 788 HB3 PHE 103 3HB PHE 103 7.637 8.354 -19.609 789 HD1 PHE 103 HD1 PHE 103 5.115 8.532 -16.858 790 HD2 PHE 103 HD2 PHE 103 6.905 6.217 -19.948 791 HE1 PHE 103 HE1 PHE 103 3.654 6.638 -16.281 792 HE2 PHE 103 HE2 PHE 103 5.447 4.320 -19.377 793 HZ PHE 103 HZ PHE 103 3.818 4.529 -17.542 794 H LEU 104 H LEU 104 9.937 10.185 -18.648 795 HA LEU 104 HA LEU 104 11.536 7.769 -18.671 796 HB2 LEU 104 2HB LEU 104 11.794 9.050 -20.605 797 HB3 LEU 104 3HB LEU 104 11.908 10.558 -19.699 798 HG LEU 104 HG LEU 104 14.143 9.838 -18.887 799 HD11 LEU 104 1HD1 LEU 104 15.138 7.885 -19.473 800 HD12 LEU 104 2HD1 LEU 104 14.286 7.780 -21.013 801 HD13 LEU 104 3HD1 LEU 104 13.459 7.348 -19.517 802 HD21 LEU 104 1HD2 LEU 104 14.720 9.678 -21.681 803 HD22 LEU 104 2HD2 LEU 104 14.927 11.039 -20.579 804 HD23 LEU 104 3HD2 LEU 104 13.394 10.812 -21.422 805 H THR 105 H THR 105 11.025 10.423 -16.605 806 HA THR 105 HA THR 105 13.449 9.724 -15.081 807 HB THR 105 HB THR 105 12.368 12.422 -14.617 808 HG1 THR 105 HG1 THR 105 12.393 11.855 -17.058 809 HG21 THR 105 1HG2 THR 105 14.816 12.958 -14.757 810 HG22 THR 105 2HG2 THR 105 15.110 11.246 -15.066 811 HG23 THR 105 3HG2 THR 105 14.397 11.756 -13.536 812 H ARG 106 H ARG 106 10.316 9.230 -15.081 813 HA ARG 106 HA ARG 106 8.676 8.898 -13.533 814 HB2 ARG 106 2HB ARG 106 10.170 7.249 -12.664 815 HB3 ARG 106 3HB ARG 106 11.154 8.470 -11.868 816 HG2 ARG 106 2HG ARG 106 8.441 8.632 -10.946 817 HG3 ARG 106 3HG ARG 106 9.055 6.986 -10.774 818 HD2 ARG 106 2HD ARG 106 10.826 9.214 -9.934 819 HD3 ARG 106 3HD ARG 106 9.432 8.852 -8.917 820 HE ARG 106 HE ARG 106 11.799 7.247 -9.260 821 HH11 ARG 106 1HH1 ARG 106 8.447 7.272 -8.319 822 HH12 ARG 106 2HH1 ARG 106 8.578 5.853 -7.334 823 HH21 ARG 106 1HH2 ARG 106 11.984 5.378 -7.965 824 HH22 ARG 106 2HH2 ARG 106 10.591 4.777 -7.132
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