NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555434 | 2m0o | 18813 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 5 HA SER 5 15.310 -27.264 15.217 2 HB2 SER 5 2HB SER 5 17.426 -26.731 17.063 3 HB3 SER 5 1HB SER 5 17.585 -25.621 15.703 4 HG SER 5 HG SER 5 15.042 -25.666 16.258 5 H ARG 6 H ARG 6 15.491 -25.930 13.401 6 HA ARG 6 HA ARG 6 17.490 -26.829 11.449 7 HB2 ARG 6 2HB ARG 6 14.677 -26.080 11.308 8 HB3 ARG 6 1HB ARG 6 15.648 -25.254 10.098 9 HG2 ARG 6 2HG ARG 6 16.517 -27.438 9.348 10 HG3 ARG 6 1HG ARG 6 15.454 -28.230 10.514 11 HD2 ARG 6 2HD ARG 6 13.801 -26.483 9.103 12 HD3 ARG 6 1HD ARG 6 14.850 -27.198 7.880 13 HE ARG 6 HE ARG 6 13.183 -28.766 9.743 14 HH11 ARG 6 1HH1 ARG 6 14.633 -28.345 6.569 15 HH12 ARG 6 2HH1 ARG 6 13.937 -29.799 5.935 16 HH21 ARG 6 1HH2 ARG 6 12.284 -30.660 8.889 17 HH22 ARG 6 2HH2 ARG 6 12.608 -31.106 7.247 18 H LEU 7 H LEU 7 18.919 -25.481 10.523 19 HA LEU 7 HA LEU 7 19.053 -22.745 11.566 20 HB2 LEU 7 2HB LEU 7 21.403 -22.797 10.643 21 HB3 LEU 7 1HB LEU 7 21.074 -23.876 11.981 22 HG LEU 7 HG LEU 7 20.630 -25.377 9.626 23 HD11 LEU 7 1HD1 LEU 7 21.891 -23.705 8.390 24 HD12 LEU 7 2HD1 LEU 7 22.805 -25.208 8.514 25 HD13 LEU 7 3HD1 LEU 7 23.221 -23.836 9.541 26 HD21 LEU 7 3HD2 LEU 7 22.589 -26.642 10.460 27 HD22 LEU 7 1HD2 LEU 7 21.396 -26.301 11.714 28 HD23 LEU 7 2HD2 LEU 7 22.883 -25.356 11.630 29 H SER 8 H SER 8 18.968 -24.545 8.536 30 HA SER 8 HA SER 8 19.021 -22.080 6.970 31 HB2 SER 8 2HB SER 8 18.966 -23.711 5.013 32 HB3 SER 8 1HB SER 8 20.399 -23.777 6.038 33 HG SER 8 HG SER 8 19.873 -25.728 6.646 34 H ARG 9 H ARG 9 17.386 -21.465 5.556 35 HA ARG 9 HA ARG 9 14.711 -22.363 6.333 36 HB2 ARG 9 2HB ARG 9 15.809 -19.890 5.045 37 HB3 ARG 9 1HB ARG 9 14.106 -20.284 4.855 38 HG2 ARG 9 2HG ARG 9 13.633 -19.925 7.073 39 HG3 ARG 9 1HG ARG 9 15.284 -20.275 7.590 40 HD2 ARG 9 2HD ARG 9 16.064 -18.170 6.796 41 HD3 ARG 9 1HD ARG 9 14.536 -17.845 5.979 42 HE ARG 9 HE ARG 9 14.475 -18.163 8.879 43 HH11 ARG 9 1HH1 ARG 9 14.368 -15.964 6.140 44 HH12 ARG 9 2HH1 ARG 9 13.707 -14.659 7.069 45 HH21 ARG 9 1HH2 ARG 9 13.611 -16.440 10.073 46 HH22 ARG 9 2HH2 ARG 9 13.281 -14.928 9.292 47 H SER 10 H SER 10 16.895 -23.195 4.034 48 HA SER 10 HA SER 10 16.868 -24.322 2.071 49 HB2 SER 10 2HB SER 10 14.536 -25.183 3.390 50 HB3 SER 10 1HB SER 10 14.052 -24.871 1.723 51 HG SER 10 HG SER 10 16.115 -26.129 1.266 52 H GLY 11 H GLY 11 17.178 -23.441 0.168 53 HA2 GLY 11 2HA GLY 11 16.421 -22.532 -1.897 54 HA3 GLY 11 1HA GLY 11 15.075 -21.789 -1.046 55 H ALA 12 H ALA 12 18.324 -21.446 -2.113 56 HA ALA 12 HA ALA 12 18.638 -18.876 -0.732 57 HB1 ALA 12 3HB ALA 12 20.596 -20.676 -2.134 58 HB2 ALA 12 1HB ALA 12 20.538 -20.239 -0.425 59 HB3 ALA 12 2HB ALA 12 21.001 -19.035 -1.629 60 H SER 13 H SER 13 18.510 -16.993 -1.756 61 HA SER 13 HA SER 13 18.391 -16.990 -4.702 62 HB2 SER 13 2HB SER 13 16.885 -15.205 -2.771 63 HB3 SER 13 1HB SER 13 16.834 -15.075 -4.528 64 HG SER 13 HG SER 13 15.782 -17.077 -2.858 65 H SER 14 H SER 14 19.974 -15.925 -5.649 66 HA SER 14 HA SER 14 21.782 -14.618 -6.051 67 HB2 SER 14 2HB SER 14 20.308 -12.601 -4.337 68 HB3 SER 14 1HB SER 14 21.614 -12.240 -5.464 69 HG SER 14 HG SER 14 19.120 -12.217 -6.038 70 H LEU 15 H LEU 15 23.541 -15.519 -5.198 71 HA LEU 15 HA LEU 15 24.411 -14.599 -2.546 72 HB2 LEU 15 2HB LEU 15 23.485 -17.116 -2.899 73 HB3 LEU 15 1HB LEU 15 25.175 -17.359 -3.295 74 HG LEU 15 HG LEU 15 25.414 -15.978 -0.973 75 HD11 LEU 15 1HD1 LEU 15 23.808 -16.819 0.624 76 HD12 LEU 15 2HD1 LEU 15 22.969 -17.712 -0.645 77 HD13 LEU 15 3HD1 LEU 15 22.969 -15.948 -0.659 78 HD21 LEU 15 3HD2 LEU 15 26.594 -18.009 -1.474 79 HD22 LEU 15 1HD2 LEU 15 25.108 -18.950 -1.363 80 HD23 LEU 15 2HD2 LEU 15 25.782 -18.194 0.080 81 H TRP 16 H TRP 16 25.073 -13.939 -5.420 82 HA TRP 16 HA TRP 16 27.985 -14.260 -5.186 83 HB2 TRP 16 2HB TRP 16 28.077 -14.417 -7.713 84 HB3 TRP 16 1HB TRP 16 27.422 -15.825 -6.892 85 HD1 TRP 16 HD TRP 16 24.932 -16.500 -7.422 86 HE1 TRP 16 1HE TRP 16 23.210 -15.696 -9.155 87 HE3 TRP 16 3HE TRP 16 27.272 -12.220 -8.988 88 HZ2 TRP 16 2HZ TRP 16 22.881 -13.542 -10.946 89 HZ3 TRP 16 3HZ TRP 16 26.183 -10.850 -10.715 90 HH2 TRP 16 HH TRP 16 24.033 -11.498 -11.673 91 H ASP 17 H ASP 17 29.215 -12.515 -5.707 92 HA ASP 17 HA ASP 17 27.774 -10.008 -6.145 93 HB2 ASP 17 2HB ASP 17 30.438 -10.702 -4.954 94 HB3 ASP 17 1HB ASP 17 30.145 -9.071 -5.550 95 HA PRO 18 HA PRO 18 29.460 -9.595 -10.267 96 HB2 PRO 18 2HB PRO 18 29.628 -6.706 -10.120 97 HB3 PRO 18 1HB PRO 18 28.436 -7.697 -10.964 98 HG2 PRO 18 2HG PRO 18 27.836 -6.172 -8.787 99 HG3 PRO 18 1HG PRO 18 26.969 -7.662 -9.201 100 HD2 PRO 18 2HD PRO 18 29.148 -7.236 -7.182 101 HD3 PRO 18 1HD PRO 18 27.647 -8.175 -7.041 102 H ALA 19 H ALA 19 31.404 -9.648 -11.226 103 HA ALA 19 HA ALA 19 33.729 -8.693 -9.730 104 HB1 ALA 19 3HB ALA 19 35.008 -10.072 -11.391 105 HB2 ALA 19 1HB ALA 19 33.456 -10.598 -12.045 106 HB3 ALA 19 2HB ALA 19 33.884 -10.976 -10.375 107 H SER 20 H SER 20 31.862 -7.919 -12.507 108 HA SER 20 HA SER 20 33.806 -5.851 -13.272 109 HB2 SER 20 2HB SER 20 32.530 -7.930 -14.970 110 HB3 SER 20 1HB SER 20 32.636 -6.309 -15.655 111 HG SER 20 HG SER 20 34.611 -8.150 -15.185 112 HA PRO 21 HA PRO 21 30.436 -2.918 -13.030 113 HB2 PRO 21 2HB PRO 21 31.091 -1.849 -15.716 114 HB3 PRO 21 1HB PRO 21 31.047 -1.020 -14.157 115 HG2 PRO 21 2HG PRO 21 33.369 -1.575 -15.333 116 HG3 PRO 21 1HG PRO 21 33.181 -1.723 -13.575 117 HD2 PRO 21 2HD PRO 21 33.184 -3.871 -15.667 118 HD3 PRO 21 1HD PRO 21 33.964 -3.850 -14.072 119 H ALA 22 H ALA 22 28.342 -3.274 -13.286 120 HA ALA 22 HA ALA 22 27.334 -4.189 -15.900 121 HB1 ALA 22 3HB ALA 22 25.884 -5.739 -14.892 122 HB2 ALA 22 1HB ALA 22 26.133 -5.054 -13.286 123 HB3 ALA 22 2HB ALA 22 27.429 -5.957 -14.069 124 HA PRO 23 HA PRO 23 24.714 -0.568 -15.313 125 HB2 PRO 23 2HB PRO 23 23.355 -0.673 -17.644 126 HB3 PRO 23 1HB PRO 23 25.040 -0.149 -17.553 127 HG2 PRO 23 2HG PRO 23 23.915 -2.780 -18.412 128 HG3 PRO 23 1HG PRO 23 25.279 -1.871 -19.083 129 HD2 PRO 23 2HD PRO 23 25.528 -4.016 -17.368 130 HD3 PRO 23 1HD PRO 23 26.752 -2.748 -17.573 131 H THR 24 H THR 24 22.450 -0.019 -15.121 132 HA THR 24 HA THR 24 20.814 -2.313 -14.304 133 HB THR 24 HB THR 24 19.340 -0.415 -13.318 134 HG1 THR 24 1HG THR 24 21.253 1.261 -12.760 135 HG21 THR 24 1HG2 THR 24 20.459 -1.867 -11.831 136 HG22 THR 24 2HG2 THR 24 20.909 -0.240 -11.322 137 HG23 THR 24 3HG2 THR 24 22.041 -1.215 -12.259 138 H SER 25 H SER 25 19.230 -2.997 -15.554 139 HA SER 25 HA SER 25 18.191 -1.230 -17.661 140 HB2 SER 25 2HB SER 25 19.258 -3.612 -18.072 141 HB3 SER 25 1HB SER 25 17.644 -4.170 -17.632 142 HG SER 25 HG SER 25 18.039 -3.730 -19.930 143 H GLY 26 H GLY 26 17.200 -3.416 -15.063 144 HA2 GLY 26 2HA GLY 26 14.401 -2.560 -15.416 145 HA3 GLY 26 1HA GLY 26 14.919 -4.009 -14.570 146 HA PRO 27 HA PRO 27 15.619 -0.172 -11.615 147 HB2 PRO 27 2HB PRO 27 13.554 1.714 -12.492 148 HB3 PRO 27 1HB PRO 27 15.269 2.004 -12.183 149 HG2 PRO 27 2HG PRO 27 14.244 2.061 -14.673 150 HG3 PRO 27 1HG PRO 27 15.886 1.473 -14.344 151 HD2 PRO 27 2HD PRO 27 13.370 -0.099 -14.809 152 HD3 PRO 27 1HD PRO 27 15.001 -0.364 -15.467 153 H ARG 28 H ARG 28 14.535 0.084 -9.666 154 HA ARG 28 HA ARG 28 11.756 -0.887 -9.581 155 HB2 ARG 28 2HB ARG 28 14.078 -2.045 -8.408 156 HB3 ARG 28 1HB ARG 28 13.061 -1.440 -7.108 157 HG2 ARG 28 2HG ARG 28 11.149 -2.679 -8.210 158 HG3 ARG 28 1HG ARG 28 12.370 -3.459 -9.219 159 HD2 ARG 28 2HD ARG 28 13.515 -3.987 -6.937 160 HD3 ARG 28 1HD ARG 28 11.907 -3.694 -6.273 161 HE ARG 28 HE ARG 28 11.653 -5.468 -8.418 162 HH11 ARG 28 1HH1 ARG 28 13.044 -5.454 -5.193 163 HH12 ARG 28 2HH1 ARG 28 12.833 -7.158 -4.970 164 HH21 ARG 28 1HH2 ARG 28 11.387 -7.697 -8.105 165 HH22 ARG 28 2HH2 ARG 28 11.896 -8.426 -6.618 166 HA PRO 29 HA PRO 29 11.276 3.271 -7.709 167 HB2 PRO 29 2HB PRO 29 8.488 2.285 -7.414 168 HB3 PRO 29 1HB PRO 29 9.076 3.797 -8.112 169 HG2 PRO 29 2HG PRO 29 8.170 1.863 -9.685 170 HG3 PRO 29 1HG PRO 29 9.599 2.803 -10.148 171 HD2 PRO 29 2HD PRO 29 9.441 0.041 -8.996 172 HD3 PRO 29 1HD PRO 29 10.478 0.666 -10.295 173 H ARG 30 H ARG 30 10.667 4.091 -5.626 174 HA ARG 30 HA ARG 30 10.672 2.024 -3.532 175 HB2 ARG 30 2HB ARG 30 12.211 4.443 -3.906 176 HB3 ARG 30 1HB ARG 30 11.344 4.498 -2.377 177 HG2 ARG 30 2HG ARG 30 13.282 3.505 -1.703 178 HG3 ARG 30 1HG ARG 30 12.336 2.072 -2.100 179 HD2 ARG 30 2HD ARG 30 14.165 1.515 -3.306 180 HD3 ARG 30 1HD ARG 30 13.467 2.605 -4.503 181 HE ARG 30 HE ARG 30 14.928 4.346 -3.281 182 HH11 ARG 30 1HH1 ARG 30 15.846 0.996 -3.800 183 HH12 ARG 30 2HH1 ARG 30 17.543 1.342 -3.810 184 HH21 ARG 30 1HH2 ARG 30 17.154 4.776 -3.298 185 HH22 ARG 30 2HH2 ARG 30 18.282 3.481 -3.526 186 H LEU 31 H LEU 31 9.593 2.563 -1.511 187 HA LEU 31 HA LEU 31 6.909 3.576 -1.953 188 HB2 LEU 31 2HB LEU 31 8.337 1.985 0.108 189 HB3 LEU 31 1HB LEU 31 6.987 2.941 0.669 190 HG LEU 31 HG LEU 31 6.120 0.789 0.286 191 HD11 LEU 31 1HD1 LEU 31 4.355 1.191 -1.074 192 HD12 LEU 31 2HD1 LEU 31 5.337 1.936 -2.335 193 HD13 LEU 31 3HD1 LEU 31 4.961 2.835 -0.863 194 HD21 LEU 31 3HD2 LEU 31 7.992 -0.098 -1.031 195 HD22 LEU 31 1HD2 LEU 31 7.386 0.762 -2.446 196 HD23 LEU 31 2HD2 LEU 31 6.423 -0.522 -1.715 197 H TRP 32 H TRP 32 6.423 5.640 -1.725 198 HA TRP 32 HA TRP 32 7.455 7.176 0.524 199 HB2 TRP 32 2HB TRP 32 8.243 9.045 -0.827 200 HB3 TRP 32 1HB TRP 32 9.097 7.582 -1.294 201 HD1 TRP 32 HD TRP 32 7.927 6.364 -3.625 202 HE1 TRP 32 1HE TRP 32 7.205 7.561 -5.778 203 HE3 TRP 32 3HE TRP 32 7.481 11.136 -1.814 204 HZ2 TRP 32 2HZ TRP 32 6.550 10.173 -6.616 205 HZ3 TRP 32 3HZ TRP 32 6.807 12.922 -3.365 206 HH2 TRP 32 HH TRP 32 6.352 12.449 -5.715 207 H GLU 33 H GLU 33 6.262 9.198 0.878 208 HA GLU 33 HA GLU 33 3.473 8.859 0.596 209 HB2 GLU 33 2HB GLU 33 5.198 11.136 1.531 210 HB3 GLU 33 1HB GLU 33 3.457 11.329 1.389 211 HG2 GLU 33 2HG GLU 33 3.073 9.571 2.975 212 HG3 GLU 33 1HG GLU 33 4.794 9.192 3.030 213 H GLY 34 H GLY 34 2.277 9.118 -1.141 214 HA2 GLY 34 2HA GLY 34 1.262 10.473 -2.810 215 HA3 GLY 34 1HA GLY 34 2.751 11.396 -2.932 216 H GLN 35 H GLN 35 2.817 7.919 -2.845 217 HA GLN 35 HA GLN 35 3.754 7.882 -5.626 218 HB2 GLN 35 2HB GLN 35 5.449 6.907 -4.380 219 HB3 GLN 35 1HB GLN 35 4.342 6.271 -3.173 220 HG2 GLN 35 2HG GLN 35 4.426 4.257 -4.117 221 HG3 GLN 35 1HG GLN 35 3.883 4.922 -5.660 222 HE21 GLN 35 1HE2 GLN 35 5.825 2.811 -4.920 223 HE22 GLN 35 2HE2 GLN 35 7.294 3.233 -5.715 224 H ASP 36 H ASP 36 2.369 7.190 -7.139 225 HA ASP 36 HA ASP 36 -0.122 5.956 -6.451 226 HB2 ASP 36 2HB ASP 36 1.169 6.370 -9.154 227 HB3 ASP 36 1HB ASP 36 -0.442 5.721 -8.925 228 H VAL 37 H VAL 37 -0.239 4.003 -5.780 229 HA VAL 37 HA VAL 37 1.565 1.933 -6.814 230 HB VAL 37 HB VAL 37 1.115 0.743 -4.670 231 HG11 VAL 37 1HG1 VAL 37 2.608 2.096 -3.313 232 HG12 VAL 37 2HG1 VAL 37 2.307 3.485 -4.354 233 HG13 VAL 37 3HG1 VAL 37 3.139 2.069 -4.993 234 HG21 VAL 37 3HG2 VAL 37 -1.052 2.094 -4.240 235 HG22 VAL 37 1HG2 VAL 37 0.020 3.303 -3.532 236 HG23 VAL 37 2HG2 VAL 37 -0.040 1.673 -2.862 237 H LEU 38 H LEU 38 0.781 -0.233 -6.829 238 HA LEU 38 HA LEU 38 -2.111 -0.457 -7.264 239 HB2 LEU 38 2HB LEU 38 0.152 -1.885 -8.641 240 HB3 LEU 38 1HB LEU 38 -1.529 -2.343 -8.803 241 HG LEU 38 HG LEU 38 -0.445 0.361 -9.599 242 HD11 LEU 38 1HD1 LEU 38 0.213 -0.438 -11.562 243 HD12 LEU 38 2HD1 LEU 38 -1.307 -1.305 -11.783 244 HD13 LEU 38 3HD1 LEU 38 0.019 -2.060 -10.901 245 HD21 LEU 38 3HD2 LEU 38 -3.069 -0.698 -9.290 246 HD22 LEU 38 1HD2 LEU 38 -2.775 -0.356 -10.994 247 HD23 LEU 38 2HD2 LEU 38 -2.573 0.916 -9.790 248 H ALA 39 H ALA 39 -2.817 -1.206 -5.450 249 HA ALA 39 HA ALA 39 -1.360 -3.209 -3.926 250 HB1 ALA 39 3HB ALA 39 -2.679 -1.060 -3.113 251 HB2 ALA 39 1HB ALA 39 -2.614 -2.523 -2.136 252 HB3 ALA 39 2HB ALA 39 -4.035 -2.185 -3.109 253 H ARG 40 H ARG 40 -1.582 -5.212 -4.658 254 HA ARG 40 HA ARG 40 -3.845 -6.202 -6.091 255 HB2 ARG 40 2HB ARG 40 -1.215 -6.964 -5.742 256 HB3 ARG 40 1HB ARG 40 -2.094 -8.181 -4.842 257 HG2 ARG 40 2HG ARG 40 -3.360 -8.812 -6.771 258 HG3 ARG 40 1HG ARG 40 -2.682 -7.480 -7.702 259 HD2 ARG 40 2HD ARG 40 -1.259 -9.075 -8.437 260 HD3 ARG 40 1HD ARG 40 -0.413 -8.712 -6.934 261 HE ARG 40 HE ARG 40 -1.538 -10.645 -5.956 262 HH11 ARG 40 1HH1 ARG 40 -1.517 -10.470 -9.466 263 HH12 ARG 40 2HH1 ARG 40 -1.727 -12.177 -9.664 264 HH21 ARG 40 1HH2 ARG 40 -1.812 -12.875 -6.243 265 HH22 ARG 40 2HH2 ARG 40 -1.894 -13.537 -7.841 266 H TRP 41 H TRP 41 -5.690 -7.033 -5.293 267 HA TRP 41 HA TRP 41 -5.829 -7.595 -2.423 268 HB2 TRP 41 2HB TRP 41 -7.372 -5.890 -3.477 269 HB3 TRP 41 1HB TRP 41 -8.187 -7.219 -4.295 270 HD1 TRP 41 HD TRP 41 -10.244 -8.070 -3.017 271 HE1 TRP 41 1HE TRP 41 -11.051 -8.076 -0.577 272 HE3 TRP 41 3HE TRP 41 -6.171 -5.904 -0.798 273 HZ2 TRP 41 2HZ TRP 41 -10.097 -7.275 1.952 274 HZ3 TRP 41 3HZ TRP 41 -6.202 -5.562 1.638 275 HH2 TRP 41 HH TRP 41 -8.125 -6.234 2.983 276 H THR 42 H THR 42 -7.267 -9.385 -1.722 277 HA THR 42 HA THR 42 -6.382 -11.828 -2.879 278 HB THR 42 HB THR 42 -6.596 -11.670 -0.483 279 HG1 THR 42 1HG THR 42 -7.168 -13.704 -1.723 280 HG21 THR 42 1HG2 THR 42 -8.379 -10.189 -0.052 281 HG22 THR 42 2HG2 THR 42 -8.940 -11.752 0.544 282 HG23 THR 42 3HG2 THR 42 -9.516 -11.142 -1.009 283 H ASP 43 H ASP 43 -8.833 -9.927 -3.983 284 HA ASP 43 HA ASP 43 -10.694 -12.081 -4.620 285 HB2 ASP 43 2HB ASP 43 -10.744 -9.096 -4.960 286 HB3 ASP 43 1HB ASP 43 -11.861 -10.111 -5.871 287 H GLY 44 H GLY 44 -7.849 -10.997 -5.865 288 HA2 GLY 44 2HA GLY 44 -6.836 -11.880 -7.807 289 HA3 GLY 44 1HA GLY 44 -8.431 -12.143 -8.491 290 H LEU 45 H LEU 45 -8.909 -9.226 -7.426 291 HA LEU 45 HA LEU 45 -8.067 -7.946 -9.916 292 HB2 LEU 45 2HB LEU 45 -10.101 -7.139 -7.841 293 HB3 LEU 45 1HB LEU 45 -9.700 -6.179 -9.257 294 HG LEU 45 HG LEU 45 -10.405 -8.898 -9.985 295 HD11 LEU 45 1HD1 LEU 45 -12.421 -7.291 -8.436 296 HD12 LEU 45 2HD1 LEU 45 -11.780 -8.882 -8.024 297 HD13 LEU 45 3HD1 LEU 45 -12.805 -8.685 -9.446 298 HD21 LEU 45 3HD2 LEU 45 -10.339 -7.133 -11.597 299 HD22 LEU 45 1HD2 LEU 45 -11.491 -6.172 -10.671 300 HD23 LEU 45 2HD2 LEU 45 -12.007 -7.675 -11.436 301 H LEU 46 H LEU 46 -7.101 -5.897 -9.945 302 HA LEU 46 HA LEU 46 -5.262 -5.393 -7.756 303 HB2 LEU 46 2HB LEU 46 -4.660 -5.403 -10.250 304 HB3 LEU 46 1HB LEU 46 -5.565 -3.909 -10.372 305 HG LEU 46 HG LEU 46 -3.949 -2.773 -8.956 306 HD11 LEU 46 1HD1 LEU 46 -3.161 -5.423 -8.220 307 HD12 LEU 46 2HD1 LEU 46 -2.664 -3.886 -7.523 308 HD13 LEU 46 3HD1 LEU 46 -1.779 -4.565 -8.891 309 HD21 LEU 46 3HD2 LEU 46 -3.453 -2.616 -11.219 310 HD22 LEU 46 1HD2 LEU 46 -2.992 -4.312 -11.333 311 HD23 LEU 46 2HD2 LEU 46 -1.941 -3.170 -10.515 312 H TYR 47 H TYR 47 -4.885 -3.089 -7.078 313 HA TYR 47 HA TYR 47 -7.326 -1.444 -7.023 314 HB2 TYR 47 2HB TYR 47 -5.657 -2.304 -4.653 315 HB3 TYR 47 1HB TYR 47 -6.688 -0.888 -4.600 316 HD1 TYR 47 1HD TYR 47 -8.730 -2.953 -6.425 317 HD2 TYR 47 2HD TYR 47 -7.009 -2.744 -2.543 318 HE1 TYR 47 1HE TYR 47 -10.563 -4.315 -5.553 319 HE2 TYR 47 2HE TYR 47 -8.847 -4.109 -1.659 320 HH TYR 47 HH TYR 47 -11.563 -5.085 -3.701 321 H LEU 48 H LEU 48 -6.925 0.710 -7.300 322 HA LEU 48 HA LEU 48 -4.112 1.519 -7.504 323 HB2 LEU 48 2HB LEU 48 -5.476 1.889 -9.506 324 HB3 LEU 48 1HB LEU 48 -6.609 2.847 -8.571 325 HG LEU 48 HG LEU 48 -4.658 4.457 -8.140 326 HD11 LEU 48 1HD1 LEU 48 -3.454 2.932 -10.446 327 HD12 LEU 48 2HD1 LEU 48 -2.829 2.987 -8.798 328 HD13 LEU 48 3HD1 LEU 48 -2.852 4.450 -9.781 329 HD21 LEU 48 3HD2 LEU 48 -5.409 5.744 -9.823 330 HD22 LEU 48 1HD2 LEU 48 -6.578 4.441 -10.029 331 HD23 LEU 48 2HD2 LEU 48 -5.135 4.499 -11.041 332 H GLY 49 H GLY 49 -3.231 2.994 -6.208 333 HA2 GLY 49 2HA GLY 49 -4.767 4.889 -4.711 334 HA3 GLY 49 1HA GLY 49 -4.194 3.579 -3.709 335 H THR 50 H THR 50 -3.512 6.304 -3.359 336 HA THR 50 HA THR 50 -0.682 6.373 -4.168 337 HB THR 50 HB THR 50 -1.476 8.772 -2.790 338 HG1 THR 50 1HG THR 50 -3.543 8.612 -3.508 339 HG21 THR 50 1HG2 THR 50 -0.765 8.356 -5.697 340 HG22 THR 50 2HG2 THR 50 0.420 8.434 -4.392 341 HG23 THR 50 3HG2 THR 50 -0.586 9.836 -4.755 342 H ILE 51 H ILE 51 0.938 6.782 -2.603 343 HA ILE 51 HA ILE 51 0.443 5.416 -0.140 344 HB ILE 51 HB ILE 51 2.957 6.757 -1.143 345 HG12 ILE 51 2HG1 ILE 51 2.128 4.865 -2.517 346 HG13 ILE 51 1HG1 ILE 51 3.678 4.517 -1.772 347 HG21 ILE 51 1HG2 ILE 51 2.791 6.424 1.401 348 HG22 ILE 51 2HG2 ILE 51 4.210 5.775 0.579 349 HG23 ILE 51 3HG2 ILE 51 2.896 4.697 1.050 350 HD11 ILE 51 3HD1 ILE 51 1.175 3.116 -1.556 351 HD12 ILE 51 1HD1 ILE 51 1.793 3.553 0.034 352 HD13 ILE 51 2HD1 ILE 51 2.784 2.609 -1.071 353 H LYS 52 H LYS 52 -0.368 6.209 1.584 354 HA LYS 52 HA LYS 52 -0.172 9.063 2.192 355 HB2 LYS 52 2HB LYS 52 -2.301 7.406 2.332 356 HB3 LYS 52 1HB LYS 52 -1.692 7.237 3.972 357 HG2 LYS 52 2HG LYS 52 -1.666 9.955 3.623 358 HG3 LYS 52 1HG LYS 52 -3.101 9.467 2.719 359 HD2 LYS 52 2HD LYS 52 -3.927 8.264 4.682 360 HD3 LYS 52 1HD LYS 52 -2.488 8.741 5.585 361 HE2 LYS 52 2HE LYS 52 -4.253 10.802 4.316 362 HE3 LYS 52 1HE LYS 52 -4.671 10.104 5.881 363 HZ1 LYS 52 3HZ LYS 52 -3.302 12.237 5.851 364 HZ2 LYS 52 1HZ LYS 52 -1.998 11.263 5.388 365 HZ3 LYS 52 2HZ LYS 52 -2.776 10.990 6.864 366 H LYS 53 H LYS 53 0.895 5.927 3.309 367 HA LYS 53 HA LYS 53 2.695 7.206 5.222 368 HB2 LYS 53 2HB LYS 53 0.359 5.871 6.082 369 HB3 LYS 53 1HB LYS 53 1.686 4.772 6.405 370 HG2 LYS 53 2HG LYS 53 1.932 5.886 8.325 371 HG3 LYS 53 1HG LYS 53 2.664 7.159 7.353 372 HD2 LYS 53 2HD LYS 53 -0.283 7.230 7.480 373 HD3 LYS 53 1HD LYS 53 0.540 7.516 9.011 374 HE2 LYS 53 2HE LYS 53 1.714 9.374 8.146 375 HE3 LYS 53 1HE LYS 53 1.280 8.970 6.485 376 HZ1 LYS 53 3HZ LYS 53 -0.692 9.980 6.674 377 HZ2 LYS 53 1HZ LYS 53 -0.005 10.773 8.001 378 HZ3 LYS 53 2HZ LYS 53 -0.971 9.406 8.240 379 H VAL 54 H VAL 54 4.430 5.759 5.922 380 HA VAL 54 HA VAL 54 4.888 3.454 4.170 381 HB VAL 54 HB VAL 54 6.875 5.718 4.534 382 HG11 VAL 54 1HG1 VAL 54 7.931 3.442 4.561 383 HG12 VAL 54 2HG1 VAL 54 8.456 4.481 3.236 384 HG13 VAL 54 3HG1 VAL 54 7.287 3.195 2.938 385 HG21 VAL 54 3HG2 VAL 54 4.877 5.657 2.754 386 HG22 VAL 54 1HG2 VAL 54 6.085 4.741 1.854 387 HG23 VAL 54 2HG2 VAL 54 6.447 6.377 2.403 388 H ASP 55 H ASP 55 5.770 1.777 5.119 389 HA ASP 55 HA ASP 55 7.022 2.072 7.763 390 HB2 ASP 55 2HB ASP 55 4.863 0.227 6.838 391 HB3 ASP 55 1HB ASP 55 6.068 -0.429 7.949 392 H SER 56 H SER 56 9.038 2.193 6.670 393 HA SER 56 HA SER 56 9.964 0.111 4.932 394 HB2 SER 56 2HB SER 56 11.559 2.271 6.324 395 HB3 SER 56 1HB SER 56 12.077 1.314 4.937 396 HG SER 56 HG SER 56 10.707 2.394 3.655 397 H ALA 57 H ALA 57 9.487 0.053 8.188 398 HA ALA 57 HA ALA 57 11.892 -1.409 8.921 399 HB1 ALA 57 3HB ALA 57 11.158 0.038 10.617 400 HB2 ALA 57 1HB ALA 57 10.683 -1.571 11.159 401 HB3 ALA 57 2HB ALA 57 9.481 -0.488 10.458 402 H ARG 58 H ARG 58 8.434 -2.029 8.467 403 HA ARG 58 HA ARG 58 8.929 -4.916 8.746 404 HB2 ARG 58 2HB ARG 58 6.487 -3.218 9.206 405 HB3 ARG 58 1HB ARG 58 6.337 -4.945 8.923 406 HG2 ARG 58 2HG ARG 58 6.408 -4.932 11.202 407 HG3 ARG 58 1HG ARG 58 8.130 -5.078 10.857 408 HD2 ARG 58 2HD ARG 58 7.828 -2.378 10.849 409 HD3 ARG 58 1HD ARG 58 6.619 -2.845 12.045 410 HE ARG 58 HE ARG 58 9.069 -4.171 12.545 411 HH11 ARG 58 1HH1 ARG 58 7.583 -1.005 12.872 412 HH12 ARG 58 2HH1 ARG 58 8.603 -0.537 14.190 413 HH21 ARG 58 1HH2 ARG 58 10.393 -3.536 14.270 414 HH22 ARG 58 2HH2 ARG 58 10.192 -1.969 14.980 415 H GLU 59 H GLU 59 9.050 -2.870 6.337 416 HA GLU 59 HA GLU 59 8.720 -2.868 4.086 417 HB2 GLU 59 2HB GLU 59 8.466 -5.823 4.643 418 HB3 GLU 59 1HB GLU 59 8.361 -5.176 3.012 419 HG2 GLU 59 2HG GLU 59 10.698 -4.372 4.648 420 HG3 GLU 59 1HG GLU 59 10.642 -6.039 4.066 421 H VAL 60 H VAL 60 6.627 -1.905 5.373 422 HA VAL 60 HA VAL 60 4.331 -2.773 3.752 423 HB VAL 60 HB VAL 60 3.840 -1.784 6.542 424 HG11 VAL 60 1HG1 VAL 60 2.297 -3.143 4.434 425 HG12 VAL 60 2HG1 VAL 60 1.791 -1.938 5.616 426 HG13 VAL 60 3HG1 VAL 60 1.950 -3.629 6.090 427 HG21 VAL 60 3HG2 VAL 60 5.169 -3.552 7.223 428 HG22 VAL 60 1HG2 VAL 60 4.727 -4.551 5.838 429 HG23 VAL 60 2HG2 VAL 60 3.575 -4.301 7.149 430 H CYS 61 H CYS 61 2.641 -1.057 3.589 431 HA CYS 61 HA CYS 61 3.349 1.673 4.260 432 HB2 CYS 61 2HB CYS 61 3.512 0.661 1.444 433 HB3 CYS 61 1HB CYS 61 2.910 2.290 1.742 434 HG CYS 61 HG CYS 61 5.905 1.274 3.018 435 H LEU 62 H LEU 62 1.623 3.068 4.188 436 HA LEU 62 HA LEU 62 -0.991 1.807 3.764 437 HB2 LEU 62 2HB LEU 62 -0.099 3.377 5.855 438 HB3 LEU 62 1HB LEU 62 -0.955 4.523 4.850 439 HG LEU 62 HG LEU 62 -2.532 3.819 6.441 440 HD11 LEU 62 1HD1 LEU 62 -3.391 1.905 4.343 441 HD12 LEU 62 2HD1 LEU 62 -3.130 3.582 3.862 442 HD13 LEU 62 3HD1 LEU 62 -4.287 3.200 5.137 443 HD21 LEU 62 3HD2 LEU 62 -1.438 1.080 5.970 444 HD22 LEU 62 1HD2 LEU 62 -3.043 1.304 6.664 445 HD23 LEU 62 2HD2 LEU 62 -1.628 1.964 7.483 446 H VAL 63 H VAL 63 -2.349 2.505 2.222 447 HA VAL 63 HA VAL 63 -1.589 4.892 0.717 448 HB VAL 63 HB VAL 63 -0.916 3.743 -1.061 449 HG11 VAL 63 1HG1 VAL 63 -1.189 1.148 -1.061 450 HG12 VAL 63 2HG1 VAL 63 -1.594 1.409 0.631 451 HG13 VAL 63 3HG1 VAL 63 -0.033 1.940 0.008 452 HG21 VAL 63 3HG2 VAL 63 -3.434 3.866 -1.590 453 HG22 VAL 63 1HG2 VAL 63 -3.406 2.126 -1.305 454 HG23 VAL 63 2HG2 VAL 63 -2.394 2.828 -2.566 455 H GLN 64 H GLN 64 -3.163 6.079 -0.114 456 HA GLN 64 HA GLN 64 -5.898 5.494 0.721 457 HB2 GLN 64 2HB GLN 64 -4.624 7.785 0.995 458 HB3 GLN 64 1HB GLN 64 -5.058 8.018 -0.691 459 HG2 GLN 64 2HG GLN 64 -7.155 8.575 -0.171 460 HG3 GLN 64 1HG GLN 64 -7.349 7.198 0.909 461 HE21 GLN 64 1HE2 GLN 64 -8.155 10.050 1.102 462 HE22 GLN 64 2HE2 GLN 64 -7.521 10.601 2.611 463 H PHE 65 H PHE 65 -7.352 4.749 -0.680 464 HA PHE 65 HA PHE 65 -6.542 4.436 -3.457 465 HB2 PHE 65 2HB PHE 65 -8.676 3.094 -1.808 466 HB3 PHE 65 1HB PHE 65 -8.415 2.775 -3.525 467 HD1 PHE 65 2HD PHE 65 -6.964 2.454 -0.155 468 HD2 PHE 65 1HD PHE 65 -6.539 1.487 -4.265 469 HE1 PHE 65 2HE PHE 65 -5.192 0.844 0.413 470 HE2 PHE 65 1HE PHE 65 -4.766 -0.110 -3.706 471 HZ PHE 65 HZ PHE 65 -4.104 -0.443 -1.372 472 H GLU 66 H GLU 66 -8.187 4.535 -5.160 473 HA GLU 66 HA GLU 66 -9.138 7.078 -5.589 474 HB2 GLU 66 2HB GLU 66 -8.886 4.876 -7.093 475 HB3 GLU 66 1HB GLU 66 -10.635 4.904 -6.911 476 HG2 GLU 66 2HG GLU 66 -9.027 7.254 -7.891 477 HG3 GLU 66 1HG GLU 66 -9.731 6.039 -8.952 478 H ASP 67 H ASP 67 -11.023 4.265 -4.403 479 HA ASP 67 HA ASP 67 -13.395 5.942 -4.174 480 HB2 ASP 67 2HB ASP 67 -13.412 3.536 -4.981 481 HB3 ASP 67 1HB ASP 67 -13.132 3.056 -3.313 482 H ASP 68 H ASP 68 -11.149 6.695 -2.526 483 HA ASP 68 HA ASP 68 -10.645 7.446 -0.459 484 HB2 ASP 68 2HB ASP 68 -13.636 7.189 -0.182 485 HB3 ASP 68 1HB ASP 68 -12.633 7.815 1.122 486 H SER 69 H SER 69 -10.450 4.587 -0.951 487 HA SER 69 HA SER 69 -11.027 3.374 1.639 488 HB2 SER 69 2HB SER 69 -10.761 2.389 -1.048 489 HB3 SER 69 1HB SER 69 -9.576 1.560 -0.025 490 HG SER 69 HG SER 69 -11.638 0.525 -0.059 491 H GLN 70 H GLN 70 -9.576 3.472 3.225 492 HA GLN 70 HA GLN 70 -6.746 3.797 2.516 493 HB2 GLN 70 2HB GLN 70 -8.375 4.602 4.880 494 HB3 GLN 70 1HB GLN 70 -6.687 4.181 5.162 495 HG2 GLN 70 2HG GLN 70 -5.893 5.973 3.983 496 HG3 GLN 70 1HG GLN 70 -7.297 6.025 2.925 497 HE21 GLN 70 1HE2 GLN 70 -5.742 7.831 4.985 498 HE22 GLN 70 2HE2 GLN 70 -7.039 8.697 5.738 499 H PHE 71 H PHE 71 -6.066 1.863 2.059 500 HA PHE 71 HA PHE 71 -6.537 -0.327 3.971 501 HB2 PHE 71 2HB PHE 71 -6.895 -0.070 1.101 502 HB3 PHE 71 1HB PHE 71 -5.877 -1.446 1.483 503 HD1 PHE 71 1HD PHE 71 -8.469 -0.605 3.946 504 HD2 PHE 71 2HD PHE 71 -7.641 -2.752 0.367 505 HE1 PHE 71 1HE PHE 71 -10.492 -1.949 4.291 506 HE2 PHE 71 2HE PHE 71 -9.662 -4.108 0.713 507 HZ PHE 71 HZ PHE 71 -11.093 -3.705 2.675 508 H LEU 72 H LEU 72 -4.875 -1.358 4.806 509 HA LEU 72 HA LEU 72 -2.187 -0.411 4.390 510 HB2 LEU 72 2HB LEU 72 -3.161 -1.021 6.607 511 HB3 LEU 72 1HB LEU 72 -3.224 -2.694 6.087 512 HG LEU 72 HG LEU 72 -0.547 -1.540 5.857 513 HD11 LEU 72 1HD1 LEU 72 -1.061 -0.250 7.766 514 HD12 LEU 72 2HD1 LEU 72 -0.188 -1.663 8.354 515 HD13 LEU 72 3HD1 LEU 72 -1.941 -1.577 8.519 516 HD21 LEU 72 3HD2 LEU 72 -0.037 -3.614 7.182 517 HD22 LEU 72 1HD2 LEU 72 -0.850 -3.884 5.641 518 HD23 LEU 72 2HD2 LEU 72 -1.760 -3.974 7.149 519 H VAL 73 H VAL 73 -0.880 -1.156 2.843 520 HA VAL 73 HA VAL 73 -1.210 -3.948 1.918 521 HB VAL 73 HB VAL 73 0.108 -2.077 0.048 522 HG11 VAL 73 1HG1 VAL 73 -0.736 -3.482 -1.597 523 HG12 VAL 73 2HG1 VAL 73 -2.062 -4.043 -0.576 524 HG13 VAL 73 3HG1 VAL 73 -0.413 -4.571 -0.250 525 HG21 VAL 73 3HG2 VAL 73 -1.948 -0.853 1.008 526 HG22 VAL 73 1HG2 VAL 73 -2.891 -2.037 0.106 527 HG23 VAL 73 2HG2 VAL 73 -1.782 -0.964 -0.743 528 H LEU 74 H LEU 74 0.568 -5.123 1.311 529 HA LEU 74 HA LEU 74 3.046 -4.438 2.676 530 HB2 LEU 74 2HB LEU 74 2.237 -6.954 1.197 531 HB3 LEU 74 1HB LEU 74 3.719 -6.751 2.098 532 HG LEU 74 HG LEU 74 2.378 -8.042 3.499 533 HD11 LEU 74 1HD1 LEU 74 1.613 -5.375 4.594 534 HD12 LEU 74 2HD1 LEU 74 3.305 -5.866 4.516 535 HD13 LEU 74 3HD1 LEU 74 2.149 -6.826 5.441 536 HD21 LEU 74 3HD2 LEU 74 0.034 -7.624 3.993 537 HD22 LEU 74 1HD2 LEU 74 0.291 -7.820 2.259 538 HD23 LEU 74 2HD2 LEU 74 0.052 -6.210 2.939 539 H TRP 75 H TRP 75 5.081 -4.386 1.637 540 HA TRP 75 HA TRP 75 5.166 -3.116 -0.869 541 HB2 TRP 75 2HB TRP 75 7.344 -4.446 0.736 542 HB3 TRP 75 1HB TRP 75 7.656 -3.576 -0.752 543 HD1 TRP 75 HD TRP 75 5.081 -2.034 1.601 544 HE1 TRP 75 1HE TRP 75 6.084 0.071 2.675 545 HE3 TRP 75 3HE TRP 75 9.956 -2.549 0.077 546 HZ2 TRP 75 2HZ TRP 75 8.585 1.340 2.876 547 HZ3 TRP 75 3HZ TRP 75 11.584 -0.838 0.769 548 HH2 TRP 75 HH TRP 75 10.908 1.066 2.141 549 H LYS 76 H LYS 76 4.844 -6.436 -0.166 550 HA LYS 76 HA LYS 76 6.037 -7.364 -2.653 551 HB2 LYS 76 2HB LYS 76 5.036 -9.618 -1.875 552 HB3 LYS 76 1HB LYS 76 6.389 -8.948 -0.983 553 HG2 LYS 76 2HG LYS 76 4.929 -8.211 0.782 554 HG3 LYS 76 1HG LYS 76 3.505 -8.696 -0.140 555 HD2 LYS 76 2HD LYS 76 4.184 -11.023 -0.018 556 HD3 LYS 76 1HD LYS 76 5.673 -10.568 0.812 557 HE2 LYS 76 2HE LYS 76 4.035 -9.465 2.525 558 HE3 LYS 76 1HE LYS 76 2.860 -10.577 1.823 559 HZ1 LYS 76 3HZ LYS 76 4.650 -11.146 3.811 560 HZ2 LYS 76 1HZ LYS 76 5.324 -11.879 2.442 561 HZ3 LYS 76 2HZ LYS 76 3.751 -12.272 2.925 562 H ASP 77 H ASP 77 2.850 -6.666 -1.383 563 HA ASP 77 HA ASP 77 1.506 -7.753 -3.735 564 HB2 ASP 77 2HB ASP 77 0.703 -6.951 -1.028 565 HB3 ASP 77 1HB ASP 77 -0.450 -6.516 -2.279 566 H ILE 78 H ILE 78 3.156 -5.026 -3.183 567 HA ILE 78 HA ILE 78 1.252 -3.227 -4.495 568 HB ILE 78 HB ILE 78 3.779 -2.654 -2.944 569 HG12 ILE 78 2HG1 ILE 78 0.996 -1.615 -2.426 570 HG13 ILE 78 1HG1 ILE 78 1.500 -3.198 -1.850 571 HG21 ILE 78 1HG2 ILE 78 2.408 -1.001 -4.937 572 HG22 ILE 78 2HG2 ILE 78 4.022 -0.830 -4.248 573 HG23 ILE 78 3HG2 ILE 78 2.622 -0.209 -3.375 574 HD11 ILE 78 3HD1 ILE 78 1.851 -0.716 -0.616 575 HD12 ILE 78 1HD1 ILE 78 3.451 -1.279 -1.097 576 HD13 ILE 78 2HD1 ILE 78 2.426 -2.297 -0.084 577 H SER 79 H SER 79 1.576 -2.356 -6.430 578 HA SER 79 HA SER 79 4.079 -2.877 -7.883 579 HB2 SER 79 2HB SER 79 1.795 -4.256 -8.444 580 HB3 SER 79 1HB SER 79 1.589 -2.855 -9.501 581 HG SER 79 HG SER 79 2.810 -4.062 -10.753 582 HA PRO 80 HA PRO 80 3.577 1.693 -7.953 583 HB2 PRO 80 2HB PRO 80 5.935 1.369 -9.752 584 HB3 PRO 80 1HB PRO 80 5.688 2.502 -8.420 585 HG2 PRO 80 2HG PRO 80 7.249 0.391 -8.083 586 HG3 PRO 80 1HG PRO 80 6.132 0.889 -6.797 587 HD2 PRO 80 2HD PRO 80 5.899 -1.376 -8.740 588 HD3 PRO 80 1HD PRO 80 5.448 -1.307 -7.024 589 H ALA 81 H ALA 81 2.082 2.574 -9.174 590 HA ALA 81 HA ALA 81 1.546 1.695 -11.867 591 HB1 ALA 81 3HB ALA 81 -0.112 3.850 -11.372 592 HB2 ALA 81 1HB ALA 81 0.135 3.146 -9.775 593 HB3 ALA 81 2HB ALA 81 -0.503 2.155 -11.087 594 H ALA 82 H ALA 82 3.142 2.376 -13.228 595 HA ALA 82 HA ALA 82 3.250 5.249 -13.768 596 HB1 ALA 82 3HB ALA 82 5.748 5.066 -14.103 597 HB2 ALA 82 1HB ALA 82 5.663 3.516 -13.268 598 HB3 ALA 82 2HB ALA 82 5.194 4.996 -12.431 599 H LEU 83 H LEU 83 4.211 1.997 -14.840 600 HA LEU 83 HA LEU 83 3.592 2.788 -17.603 601 HB2 LEU 83 2HB LEU 83 5.449 1.210 -18.326 602 HB3 LEU 83 1HB LEU 83 5.935 2.754 -17.661 603 HG LEU 83 HG LEU 83 5.810 0.516 -15.728 604 HD11 LEU 83 1HD1 LEU 83 6.725 -0.640 -17.661 605 HD12 LEU 83 2HD1 LEU 83 7.972 -0.386 -16.440 606 HD13 LEU 83 3HD1 LEU 83 7.923 0.636 -17.875 607 HD21 LEU 83 3HD2 LEU 83 6.630 2.958 -15.425 608 HD22 LEU 83 1HD2 LEU 83 8.099 2.380 -16.212 609 HD23 LEU 83 2HD2 LEU 83 7.554 1.641 -14.705 610 HA ALA 331 HA ALA 331 -17.430 -3.873 -16.258 611 HB1 ALA 331 3HB ALA 331 -17.300 -2.159 -18.027 612 HB2 ALA 331 1HB ALA 331 -19.038 -2.324 -18.285 613 HB3 ALA 331 2HB ALA 331 -17.965 -3.686 -18.607 614 H THR 332 H THR 332 -16.504 -2.294 -15.082 615 HA THR 332 HA THR 332 -18.276 -0.232 -13.951 616 HB THR 332 HB THR 332 -17.652 -1.765 -12.193 617 HG1 THR 332 1HG THR 332 -17.652 0.139 -11.226 618 HG21 THR 332 1HG2 THR 332 -15.498 -2.543 -13.347 619 HG22 THR 332 2HG2 THR 332 -15.466 -2.397 -11.590 620 HG23 THR 332 3HG2 THR 332 -14.731 -1.146 -12.590 621 H GLY 333 H GLY 333 -17.482 1.858 -13.656 622 HA2 GLY 333 2HA GLY 333 -14.822 2.616 -14.416 623 HA3 GLY 333 1HA GLY 333 -16.004 3.003 -15.657 624 H GLY 334 H GLY 334 -15.169 3.511 -12.263 625 HA2 GLY 334 2HA GLY 334 -15.840 6.287 -12.388 626 HA3 GLY 334 1HA GLY 334 -17.050 5.374 -11.500 627 H VAL 335 H VAL 335 -15.046 3.469 -10.463 628 HA VAL 335 HA VAL 335 -14.069 5.135 -8.276 629 HB VAL 335 HB VAL 335 -13.591 2.866 -7.164 630 HG11 VAL 335 1HG1 VAL 335 -15.927 2.610 -6.475 631 HG12 VAL 335 2HG1 VAL 335 -16.425 3.648 -7.811 632 HG13 VAL 335 3HG1 VAL 335 -15.424 4.302 -6.515 633 HG21 VAL 335 3HG2 VAL 335 -15.339 1.902 -9.435 634 HG22 VAL 335 1HG2 VAL 335 -14.977 0.977 -7.976 635 HG23 VAL 335 2HG2 VAL 335 -13.682 1.402 -9.095 636 H M3L 336 H M3L 336 -12.184 2.431 -8.108 637 HA M3L 336 HA M3L 336 -9.798 3.805 -8.775 638 HB2 M3L 336 1HB M3L 336 -9.245 2.284 -7.195 639 HB3 M3L 336 2HB M3L 336 -8.882 1.283 -8.590 640 HG2 M3L 336 1HG M3L 336 -11.029 0.183 -8.404 641 HG3 M3L 336 2HG M3L 336 -11.451 1.222 -7.038 642 HD2 M3L 336 1HD M3L 336 -9.087 0.275 -6.191 643 HD3 M3L 336 2HD M3L 336 -9.625 -1.089 -7.168 644 HE2 M3L 336 1HE M3L 336 -10.684 -1.720 -5.279 645 HE3 M3L 336 2HE M3L 336 -11.893 -0.564 -5.797 646 HM11 M3L 336 1HM1 M3L 336 -8.908 -0.949 -3.650 647 HM12 M3L 336 2HM1 M3L 336 -9.293 0.341 -2.571 648 HM13 M3L 336 3HM1 M3L 336 -8.663 0.690 -4.136 649 HM21 M3L 336 1HM2 M3L 336 -12.660 -0.554 -3.508 650 HM22 M3L 336 2HM2 M3L 336 -11.615 -0.090 -2.213 651 HM23 M3L 336 3HM2 M3L 336 -11.378 -1.603 -3.012 652 HM31 M3L 336 3HM3 M3L 336 -10.387 2.066 -4.895 653 HM32 M3L 336 1HM3 M3L 336 -11.121 2.022 -3.329 654 HM33 M3L 336 2HM3 M3L 336 -12.055 1.654 -4.735 655 H LYS 337 H LYS 337 -8.328 3.575 -10.373 656 HA LYS 337 HA LYS 337 -9.160 2.077 -12.758 657 HB2 LYS 337 2HB LYS 337 -8.255 3.984 -14.143 658 HB3 LYS 337 1HB LYS 337 -9.724 4.345 -13.259 659 HG2 LYS 337 2HG LYS 337 -7.045 5.104 -12.136 660 HG3 LYS 337 1HG LYS 337 -7.821 6.103 -13.359 661 HD2 LYS 337 2HD LYS 337 -9.693 5.430 -11.259 662 HD3 LYS 337 1HD LYS 337 -8.247 6.188 -10.581 663 HE2 LYS 337 2HE LYS 337 -8.510 8.026 -12.230 664 HE3 LYS 337 1HE LYS 337 -10.020 7.288 -12.762 665 HZ1 LYS 337 3HZ LYS 337 -10.765 7.484 -10.384 666 HZ2 LYS 337 1HZ LYS 337 -10.592 8.950 -11.214 667 HZ3 LYS 337 2HZ LYS 337 -9.409 8.459 -10.109 668 HA PRO 338 HA PRO 338 -4.730 0.990 -11.458 669 HB2 PRO 338 2HB PRO 338 -5.786 -1.761 -11.823 670 HB3 PRO 338 1HB PRO 338 -4.845 -1.090 -10.491 671 HG2 PRO 338 2HG PRO 338 -7.396 -1.621 -10.131 672 HG3 PRO 338 1HG PRO 338 -6.697 -0.110 -9.498 673 HD2 PRO 338 2HD PRO 338 -8.253 -0.535 -12.046 674 HD3 PRO 338 1HD PRO 338 -8.531 0.669 -10.767 675 H HIS 339 H HIS 339 -3.949 -1.549 -12.701 676 HA HIS 339 HA HIS 339 -2.910 -0.677 -15.123 677 HB2 HIS 339 2HB HIS 339 -2.013 -2.849 -15.354 678 HB3 HIS 339 1HB HIS 339 -2.192 -2.639 -13.616 679 HD1 HIS 339 1HD HIS 339 -2.890 -5.004 -16.228 680 HD2 HIS 339 2HD HIS 339 -4.664 -3.917 -12.637 681 HE1 HIS 339 1HE HIS 339 -4.395 -6.926 -15.619 682 HE2 HIS 339 2HE HIS 339 -5.388 -6.290 -13.392 683 H ARG 340 H ARG 340 -5.807 -2.610 -14.523 684 HA ARG 340 HA ARG 340 -6.995 -1.787 -17.029 685 HB2 ARG 340 2HB ARG 340 -5.840 -4.451 -16.682 686 HB3 ARG 340 1HB ARG 340 -7.549 -4.509 -17.094 687 HG2 ARG 340 2HG ARG 340 -7.017 -2.968 -19.016 688 HG3 ARG 340 1HG ARG 340 -5.313 -3.253 -18.659 689 HD2 ARG 340 2HD ARG 340 -5.519 -4.986 -20.078 690 HD3 ARG 340 1HD ARG 340 -6.301 -5.795 -18.719 691 HE ARG 340 HE ARG 340 -8.433 -4.813 -19.734 692 HH11 ARG 340 1HH1 ARG 340 -5.678 -5.821 -21.666 693 HH12 ARG 340 2HH1 ARG 340 -6.642 -6.177 -23.060 694 HH21 ARG 340 1HH2 ARG 340 -9.673 -5.286 -21.572 695 HH22 ARG 340 2HH2 ARG 340 -8.900 -5.873 -23.006 696 H TYR 341 H TYR 341 -7.156 -3.604 -14.021 697 HA TYR 341 HA TYR 341 -9.941 -2.783 -13.681 698 HB2 TYR 341 2HB TYR 341 -10.359 -5.164 -12.686 699 HB3 TYR 341 1HB TYR 341 -10.473 -4.923 -14.422 700 HD1 TYR 341 1HD TYR 341 -8.194 -6.163 -11.746 701 HD2 TYR 341 2HD TYR 341 -9.152 -6.189 -15.893 702 HE1 TYR 341 1HE TYR 341 -6.565 -7.972 -12.107 703 HE2 TYR 341 2HE TYR 341 -7.527 -7.995 -16.263 704 HH TYR 341 HH TYR 341 -5.420 -9.134 -13.680 Start of MODEL 2 1 HA SER 5 HA SER 5 -11.144 -26.690 16.202 2 HB2 SER 5 2HB SER 5 -12.147 -25.234 18.403 3 HB3 SER 5 1HB SER 5 -11.912 -24.064 17.104 4 HG SER 5 HG SER 5 -13.871 -24.866 16.676 5 H ARG 6 H ARG 6 -10.838 -25.456 14.363 6 HA ARG 6 HA ARG 6 -9.693 -24.276 12.808 7 HB2 ARG 6 2HB ARG 6 -10.241 -22.463 14.898 8 HB3 ARG 6 1HB ARG 6 -8.589 -22.139 14.393 9 HG2 ARG 6 2HG ARG 6 -9.250 -21.656 12.185 10 HG3 ARG 6 1HG ARG 6 -10.862 -22.331 12.439 11 HD2 ARG 6 2HD ARG 6 -11.636 -20.432 13.369 12 HD3 ARG 6 1HD ARG 6 -10.156 -20.175 14.292 13 HE ARG 6 HE ARG 6 -10.618 -19.332 11.512 14 HH11 ARG 6 1HH1 ARG 6 -8.727 -19.110 14.465 15 HH12 ARG 6 2HH1 ARG 6 -7.817 -17.744 13.913 16 HH21 ARG 6 1HH2 ARG 6 -9.412 -17.544 10.813 17 HH22 ARG 6 2HH2 ARG 6 -8.205 -16.859 11.848 18 H LEU 7 H LEU 7 -7.983 -25.249 12.016 19 HA LEU 7 HA LEU 7 -5.386 -24.861 13.320 20 HB2 LEU 7 2HB LEU 7 -6.578 -27.234 13.583 21 HB3 LEU 7 1HB LEU 7 -5.882 -27.484 11.993 22 HG LEU 7 HG LEU 7 -3.734 -26.519 13.382 23 HD11 LEU 7 1HD1 LEU 7 -5.087 -26.597 15.472 24 HD12 LEU 7 2HD1 LEU 7 -3.633 -27.592 15.517 25 HD13 LEU 7 3HD1 LEU 7 -5.209 -28.345 15.270 26 HD21 LEU 7 3HD2 LEU 7 -4.612 -29.386 13.071 27 HD22 LEU 7 1HD2 LEU 7 -2.969 -28.849 13.417 28 HD23 LEU 7 2HD2 LEU 7 -3.729 -28.428 11.883 29 H SER 8 H SER 8 -5.396 -23.160 11.677 30 HA SER 8 HA SER 8 -4.740 -24.151 8.981 31 HB2 SER 8 2HB SER 8 -5.959 -21.556 9.916 32 HB3 SER 8 1HB SER 8 -5.236 -21.715 8.316 33 HG SER 8 HG SER 8 -7.272 -22.292 7.938 34 H ARG 9 H ARG 9 -3.118 -22.843 7.786 35 HA ARG 9 HA ARG 9 -0.786 -22.388 9.446 36 HB2 ARG 9 2HB ARG 9 -1.325 -22.847 6.573 37 HB3 ARG 9 1HB ARG 9 0.067 -21.838 6.937 38 HG2 ARG 9 2HG ARG 9 1.123 -23.562 8.154 39 HG3 ARG 9 1HG ARG 9 -0.350 -24.534 8.193 40 HD2 ARG 9 2HD ARG 9 -0.200 -25.020 5.883 41 HD3 ARG 9 1HD ARG 9 1.037 -23.790 5.630 42 HE ARG 9 HE ARG 9 1.616 -26.099 7.347 43 HH11 ARG 9 1HH1 ARG 9 2.281 -24.304 4.401 44 HH12 ARG 9 2HH1 ARG 9 3.739 -25.178 4.063 45 HH21 ARG 9 1HH2 ARG 9 3.525 -27.228 6.884 46 HH22 ARG 9 2HH2 ARG 9 4.441 -26.832 5.467 47 H SER 10 H SER 10 0.619 -20.482 9.080 48 HA SER 10 HA SER 10 -0.920 -18.050 9.286 49 HB2 SER 10 2HB SER 10 1.123 -18.688 10.703 50 HB3 SER 10 1HB SER 10 2.088 -18.224 9.302 51 HG SER 10 HG SER 10 1.276 -16.152 9.455 52 H GLY 11 H GLY 11 1.476 -19.383 7.027 53 HA2 GLY 11 2HA GLY 11 0.559 -18.431 4.685 54 HA3 GLY 11 1HA GLY 11 1.383 -17.026 5.339 55 H ALA 12 H ALA 12 3.667 -17.212 5.821 56 HA ALA 12 HA ALA 12 5.828 -17.651 5.293 57 HB1 ALA 12 3HB ALA 12 5.441 -19.816 6.339 58 HB2 ALA 12 1HB ALA 12 6.544 -19.971 4.972 59 HB3 ALA 12 2HB ALA 12 4.861 -20.469 4.808 60 H SER 13 H SER 13 6.839 -16.892 3.586 61 HA SER 13 HA SER 13 5.902 -17.677 0.906 62 HB2 SER 13 2HB SER 13 5.699 -15.204 1.778 63 HB3 SER 13 1HB SER 13 7.412 -15.129 1.367 64 HG SER 13 HG SER 13 6.113 -14.498 -0.391 65 H SER 14 H SER 14 8.814 -16.632 2.697 66 HA SER 14 HA SER 14 10.413 -18.483 1.080 67 HB2 SER 14 2HB SER 14 10.490 -15.916 0.377 68 HB3 SER 14 1HB SER 14 11.644 -15.838 1.709 69 HG SER 14 HG SER 14 12.132 -16.608 -0.729 70 H LEU 15 H LEU 15 10.281 -16.354 3.918 71 HA LEU 15 HA LEU 15 11.073 -16.499 6.034 72 HB2 LEU 15 2HB LEU 15 10.764 -19.286 5.237 73 HB3 LEU 15 1HB LEU 15 12.016 -19.079 6.446 74 HG LEU 15 HG LEU 15 9.423 -17.737 6.981 75 HD11 LEU 15 1HD1 LEU 15 8.528 -19.774 6.198 76 HD12 LEU 15 2HD1 LEU 15 8.573 -19.904 7.957 77 HD13 LEU 15 3HD1 LEU 15 9.795 -20.719 6.980 78 HD21 LEU 15 3HD2 LEU 15 11.064 -19.455 8.812 79 HD22 LEU 15 1HD2 LEU 15 9.975 -18.127 9.215 80 HD23 LEU 15 2HD2 LEU 15 11.530 -17.793 8.452 81 H TRP 16 H TRP 16 12.963 -16.404 3.518 82 HA TRP 16 HA TRP 16 15.448 -16.443 5.091 83 HB2 TRP 16 2HB TRP 16 15.027 -18.358 3.285 84 HB3 TRP 16 1HB TRP 16 15.586 -17.104 2.184 85 HD1 TRP 16 HD TRP 16 16.799 -19.198 5.178 86 HE1 TRP 16 1HE TRP 16 19.371 -19.242 5.156 87 HE3 TRP 16 3HE TRP 16 17.649 -15.897 1.353 88 HZ2 TRP 16 2HZ TRP 16 21.478 -18.046 3.716 89 HZ3 TRP 16 3HZ TRP 16 19.975 -15.406 0.720 90 HH2 TRP 16 HH TRP 16 21.848 -16.459 1.878 91 H ASP 17 H ASP 17 16.585 -14.620 4.987 92 HA ASP 17 HA ASP 17 15.907 -12.656 2.894 93 HB2 ASP 17 2HB ASP 17 16.371 -12.361 5.827 94 HB3 ASP 17 1HB ASP 17 16.884 -11.048 4.773 95 HA PRO 18 HA PRO 18 20.204 -12.918 1.694 96 HB2 PRO 18 2HB PRO 18 20.430 -10.620 0.260 97 HB3 PRO 18 1HB PRO 18 19.593 -12.053 -0.343 98 HG2 PRO 18 2HG PRO 18 18.459 -9.561 0.864 99 HG3 PRO 18 1HG PRO 18 17.879 -10.496 -0.526 100 HD2 PRO 18 2HD PRO 18 16.771 -10.681 1.952 101 HD3 PRO 18 1HD PRO 18 16.796 -12.032 0.801 102 H ALA 19 H ALA 19 22.269 -11.855 1.938 103 HA ALA 19 HA ALA 19 22.400 -10.238 4.362 104 HB1 ALA 19 3HB ALA 19 24.652 -11.480 2.790 105 HB2 ALA 19 1HB ALA 19 23.803 -12.259 4.125 106 HB3 ALA 19 2HB ALA 19 24.743 -10.795 4.411 107 H SER 20 H SER 20 22.709 -9.843 0.955 108 HA SER 20 HA SER 20 24.163 -7.315 1.213 109 HB2 SER 20 2HB SER 20 23.391 -8.972 -1.197 110 HB3 SER 20 1HB SER 20 24.167 -7.393 -1.308 111 HG SER 20 HG SER 20 25.242 -9.827 -0.701 112 HA PRO 21 HA PRO 21 20.429 -4.912 0.840 113 HB2 PRO 21 2HB PRO 21 21.393 -2.589 -0.181 114 HB3 PRO 21 1HB PRO 21 21.652 -3.082 1.495 115 HG2 PRO 21 2HG PRO 21 23.506 -3.271 -0.846 116 HG3 PRO 21 1HG PRO 21 23.859 -2.804 0.828 117 HD2 PRO 21 2HD PRO 21 24.389 -5.283 -0.172 118 HD3 PRO 21 1HD PRO 21 24.010 -4.986 1.535 119 H ALA 22 H ALA 22 18.874 -4.192 -0.611 120 HA ALA 22 HA ALA 22 17.622 -4.222 -2.501 121 HB1 ALA 22 3HB ALA 22 18.681 -3.277 -4.557 122 HB2 ALA 22 1HB ALA 22 20.218 -3.266 -3.690 123 HB3 ALA 22 2HB ALA 22 18.870 -2.287 -3.109 124 HA PRO 23 HA PRO 23 18.651 -8.493 -3.894 125 HB2 PRO 23 2HB PRO 23 15.749 -8.655 -4.355 126 HB3 PRO 23 1HB PRO 23 16.782 -9.685 -3.361 127 HG2 PRO 23 2HG PRO 23 15.031 -7.979 -2.258 128 HG3 PRO 23 1HG PRO 23 16.608 -8.306 -1.514 129 HD2 PRO 23 2HD PRO 23 15.747 -5.959 -3.175 130 HD3 PRO 23 1HD PRO 23 16.708 -5.993 -1.680 131 H THR 24 H THR 24 16.464 -6.178 -5.441 132 HA THR 24 HA THR 24 17.162 -7.287 -8.081 133 HB THR 24 HB THR 24 15.133 -5.851 -8.828 134 HG1 THR 24 1HG THR 24 15.040 -4.959 -6.543 135 HG21 THR 24 1HG2 THR 24 14.842 -8.374 -7.201 136 HG22 THR 24 2HG2 THR 24 15.059 -8.242 -8.946 137 HG23 THR 24 3HG2 THR 24 13.559 -7.695 -8.200 138 H SER 25 H SER 25 17.290 -5.655 -9.862 139 HA SER 25 HA SER 25 18.975 -3.441 -9.021 140 HB2 SER 25 2HB SER 25 19.413 -5.098 -10.992 141 HB3 SER 25 1HB SER 25 18.314 -4.049 -11.886 142 HG SER 25 HG SER 25 20.310 -3.209 -12.211 143 H GLY 26 H GLY 26 18.302 -1.436 -8.801 144 HA2 GLY 26 2HA GLY 26 16.279 -0.290 -10.529 145 HA3 GLY 26 1HA GLY 26 15.790 -0.456 -8.849 146 HA PRO 27 HA PRO 27 18.197 3.560 -9.384 147 HB2 PRO 27 2HB PRO 27 15.812 5.045 -8.632 148 HB3 PRO 27 1HB PRO 27 16.748 5.144 -10.124 149 HG2 PRO 27 2HG PRO 27 14.223 4.130 -10.021 150 HG3 PRO 27 1HG PRO 27 15.432 3.602 -11.206 151 HD2 PRO 27 2HD PRO 27 14.598 2.289 -8.638 152 HD3 PRO 27 1HD PRO 27 14.893 1.558 -10.231 153 H ARG 28 H ARG 28 15.562 4.210 -7.085 154 HA ARG 28 HA ARG 28 17.032 3.444 -4.755 155 HB2 ARG 28 2HB ARG 28 17.540 6.064 -5.763 156 HB3 ARG 28 1HB ARG 28 16.618 6.228 -4.275 157 HG2 ARG 28 2HG ARG 28 18.270 4.815 -3.122 158 HG3 ARG 28 1HG ARG 28 19.206 4.725 -4.615 159 HD2 ARG 28 2HD ARG 28 19.148 7.311 -4.523 160 HD3 ARG 28 1HD ARG 28 18.721 7.079 -2.829 161 HE ARG 28 HE ARG 28 21.227 6.153 -4.077 162 HH11 ARG 28 1HH1 ARG 28 19.450 7.184 -1.226 163 HH12 ARG 28 2HH1 ARG 28 20.849 7.155 -0.205 164 HH21 ARG 28 1HH2 ARG 28 23.042 6.124 -2.721 165 HH22 ARG 28 2HH2 ARG 28 22.879 6.556 -1.051 166 HA PRO 29 HA PRO 29 12.803 5.296 -3.383 167 HB2 PRO 29 2HB PRO 29 11.365 6.369 -5.660 168 HB3 PRO 29 1HB PRO 29 11.883 7.201 -4.193 169 HG2 PRO 29 2HG PRO 29 12.944 7.721 -6.644 170 HG3 PRO 29 1HG PRO 29 13.856 7.908 -5.135 171 HD2 PRO 29 2HD PRO 29 13.891 5.637 -7.098 172 HD3 PRO 29 1HD PRO 29 15.253 6.445 -6.289 173 H ARG 30 H ARG 30 11.194 3.915 -2.995 174 HA ARG 30 HA ARG 30 10.030 2.365 -5.203 175 HB2 ARG 30 2HB ARG 30 11.860 1.243 -3.527 176 HB3 ARG 30 1HB ARG 30 10.370 0.897 -2.662 177 HG2 ARG 30 2HG ARG 30 10.469 -0.968 -3.955 178 HG3 ARG 30 1HG ARG 30 9.595 0.085 -5.066 179 HD2 ARG 30 2HD ARG 30 12.175 0.688 -5.689 180 HD3 ARG 30 1HD ARG 30 12.320 -1.014 -5.249 181 HE ARG 30 HE ARG 30 10.288 -0.176 -7.197 182 HH11 ARG 30 1HH1 ARG 30 13.207 -1.999 -6.493 183 HH12 ARG 30 2HH1 ARG 30 13.165 -2.863 -7.993 184 HH21 ARG 30 1HH2 ARG 30 10.255 -1.317 -9.154 185 HH22 ARG 30 2HH2 ARG 30 11.496 -2.476 -9.498 186 H LEU 31 H LEU 31 9.752 3.601 -1.926 187 HA LEU 31 HA LEU 31 6.845 3.737 -2.191 188 HB2 LEU 31 2HB LEU 31 8.322 2.073 -0.223 189 HB3 LEU 31 1HB LEU 31 6.994 3.014 0.414 190 HG LEU 31 HG LEU 31 5.997 0.965 -0.012 191 HD11 LEU 31 1HD1 LEU 31 5.488 2.099 -2.725 192 HD12 LEU 31 2HD1 LEU 31 4.933 2.938 -1.276 193 HD13 LEU 31 3HD1 LEU 31 4.383 1.296 -1.611 194 HD21 LEU 31 3HD2 LEU 31 7.802 -0.168 -1.087 195 HD22 LEU 31 1HD2 LEU 31 7.591 0.788 -2.554 196 HD23 LEU 31 2HD2 LEU 31 6.349 -0.364 -2.066 197 H TRP 32 H TRP 32 6.358 5.788 -1.905 198 HA TRP 32 HA TRP 32 7.423 7.263 0.369 199 HB2 TRP 32 2HB TRP 32 8.179 9.177 -0.933 200 HB3 TRP 32 1HB TRP 32 9.029 7.740 -1.473 201 HD1 TRP 32 HD TRP 32 7.782 6.601 -3.822 202 HE1 TRP 32 1HE TRP 32 7.022 7.885 -5.912 203 HE3 TRP 32 3HE TRP 32 7.421 11.304 -1.823 204 HZ2 TRP 32 2HZ TRP 32 6.366 10.530 -6.632 205 HZ3 TRP 32 3HZ TRP 32 6.722 13.153 -3.287 206 HH2 TRP 32 HH TRP 32 6.206 12.772 -5.643 207 H GLU 33 H GLU 33 6.262 9.335 0.733 208 HA GLU 33 HA GLU 33 3.464 8.994 0.562 209 HB2 GLU 33 2HB GLU 33 5.264 11.202 1.472 210 HB3 GLU 33 1HB GLU 33 3.544 11.519 1.291 211 HG2 GLU 33 2HG GLU 33 3.091 9.609 2.809 212 HG3 GLU 33 1HG GLU 33 4.828 9.457 3.066 213 H GLY 34 H GLY 34 2.196 9.252 -1.119 214 HA2 GLY 34 2HA GLY 34 1.112 10.556 -2.768 215 HA3 GLY 34 1HA GLY 34 2.563 11.531 -2.929 216 H GLN 35 H GLN 35 2.634 8.038 -2.871 217 HA GLN 35 HA GLN 35 3.576 8.041 -5.651 218 HB2 GLN 35 2HB GLN 35 5.282 7.101 -4.377 219 HB3 GLN 35 1HB GLN 35 4.168 6.386 -3.222 220 HG2 GLN 35 2HG GLN 35 4.474 4.417 -4.217 221 HG3 GLN 35 1HG GLN 35 3.715 5.068 -5.674 222 HE21 GLN 35 1HE2 GLN 35 5.950 3.157 -5.139 223 HE22 GLN 35 2HE2 GLN 35 7.264 3.728 -6.096 224 H ASP 36 H ASP 36 2.171 7.369 -7.152 225 HA ASP 36 HA ASP 36 -0.294 6.082 -6.468 226 HB2 ASP 36 2HB ASP 36 0.998 6.632 -9.143 227 HB3 ASP 36 1HB ASP 36 -0.566 5.855 -8.977 228 H VAL 37 H VAL 37 -0.359 4.103 -5.799 229 HA VAL 37 HA VAL 37 1.480 2.106 -6.926 230 HB VAL 37 HB VAL 37 1.094 0.853 -4.795 231 HG11 VAL 37 1HG1 VAL 37 2.318 3.591 -4.529 232 HG12 VAL 37 2HG1 VAL 37 3.116 2.142 -5.140 233 HG13 VAL 37 3HG1 VAL 37 2.613 2.227 -3.453 234 HG21 VAL 37 3HG2 VAL 37 0.042 3.391 -3.574 235 HG22 VAL 37 1HG2 VAL 37 -0.002 1.746 -2.939 236 HG23 VAL 37 2HG2 VAL 37 -1.057 2.203 -4.273 237 H LEU 38 H LEU 38 0.733 -0.132 -6.739 238 HA LEU 38 HA LEU 38 -2.135 -0.430 -7.308 239 HB2 LEU 38 2HB LEU 38 0.226 -1.811 -8.560 240 HB3 LEU 38 1HB LEU 38 -1.426 -2.349 -8.770 241 HG LEU 38 HG LEU 38 -0.528 0.422 -9.537 242 HD11 LEU 38 1HD1 LEU 38 0.792 -0.679 -11.014 243 HD12 LEU 38 2HD1 LEU 38 -0.726 -0.764 -11.907 244 HD13 LEU 38 3HD1 LEU 38 -0.181 -2.149 -10.962 245 HD21 LEU 38 3HD2 LEU 38 -2.610 -0.571 -11.147 246 HD22 LEU 38 1HD2 LEU 38 -2.693 0.706 -9.935 247 HD23 LEU 38 2HD2 LEU 38 -3.026 -0.963 -9.479 248 H ALA 39 H ALA 39 -2.875 -1.108 -5.475 249 HA ALA 39 HA ALA 39 -1.452 -3.066 -3.858 250 HB1 ALA 39 3HB ALA 39 -4.136 -2.077 -3.074 251 HB2 ALA 39 1HB ALA 39 -2.849 -0.876 -3.169 252 HB3 ALA 39 2HB ALA 39 -2.679 -2.274 -2.111 253 H ARG 40 H ARG 40 -1.685 -5.095 -4.548 254 HA ARG 40 HA ARG 40 -3.915 -6.085 -6.016 255 HB2 ARG 40 2HB ARG 40 -1.338 -6.893 -5.646 256 HB3 ARG 40 1HB ARG 40 -2.201 -8.031 -4.630 257 HG2 ARG 40 2HG ARG 40 -3.593 -8.687 -6.530 258 HG3 ARG 40 1HG ARG 40 -2.717 -7.550 -7.555 259 HD2 ARG 40 2HD ARG 40 -1.636 -9.540 -8.015 260 HD3 ARG 40 1HD ARG 40 -0.616 -8.851 -6.752 261 HE ARG 40 HE ARG 40 -2.502 -10.430 -5.479 262 HH11 ARG 40 1HH1 ARG 40 0.112 -10.940 -7.769 263 HH12 ARG 40 2HH1 ARG 40 0.419 -12.558 -7.233 264 HH21 ARG 40 1HH2 ARG 40 -2.082 -12.551 -4.794 265 HH22 ARG 40 2HH2 ARG 40 -0.823 -13.468 -5.552 266 H TRP 41 H TRP 41 -5.797 -6.832 -5.302 267 HA TRP 41 HA TRP 41 -6.205 -7.155 -2.438 268 HB2 TRP 41 2HB TRP 41 -7.758 -5.792 -3.894 269 HB3 TRP 41 1HB TRP 41 -8.321 -7.302 -4.604 270 HD1 TRP 41 HD TRP 41 -10.499 -8.090 -3.542 271 HE1 TRP 41 1HE TRP 41 -11.627 -7.930 -1.240 272 HE3 TRP 41 3HE TRP 41 -6.882 -5.469 -1.033 273 HZ2 TRP 41 2HZ TRP 41 -11.069 -6.844 1.298 274 HZ3 TRP 41 3HZ TRP 41 -7.266 -4.912 1.330 275 HH2 TRP 41 HH TRP 41 -9.317 -5.585 2.471 276 H THR 42 H THR 42 -7.491 -8.971 -1.602 277 HA THR 42 HA THR 42 -6.256 -11.437 -2.281 278 HB THR 42 HB THR 42 -6.751 -10.957 0.028 279 HG1 THR 42 1HG THR 42 -6.786 -13.169 -0.640 280 HG21 THR 42 1HG2 THR 42 -8.935 -9.706 -0.484 281 HG22 THR 42 2HG2 THR 42 -8.885 -10.691 0.978 282 HG23 THR 42 3HG2 THR 42 -9.702 -11.294 -0.465 283 H ASP 43 H ASP 43 -8.949 -10.013 -3.719 284 HA ASP 43 HA ASP 43 -10.287 -12.551 -4.285 285 HB2 ASP 43 2HB ASP 43 -11.011 -9.692 -4.945 286 HB3 ASP 43 1HB ASP 43 -11.922 -11.077 -5.539 287 H GLY 44 H GLY 44 -7.678 -11.021 -5.485 288 HA2 GLY 44 2HA GLY 44 -6.475 -11.772 -7.381 289 HA3 GLY 44 1HA GLY 44 -7.991 -12.272 -8.114 290 H LEU 45 H LEU 45 -8.838 -9.406 -7.024 291 HA LEU 45 HA LEU 45 -8.289 -8.063 -9.550 292 HB2 LEU 45 2HB LEU 45 -10.170 -7.483 -7.269 293 HB3 LEU 45 1HB LEU 45 -9.937 -6.375 -8.613 294 HG LEU 45 HG LEU 45 -10.535 -9.046 -9.559 295 HD11 LEU 45 1HD1 LEU 45 -11.732 -9.277 -7.461 296 HD12 LEU 45 2HD1 LEU 45 -12.863 -9.118 -8.804 297 HD13 LEU 45 3HD1 LEU 45 -12.556 -7.743 -7.743 298 HD21 LEU 45 3HD2 LEU 45 -12.092 -7.890 -10.925 299 HD22 LEU 45 1HD2 LEU 45 -10.669 -6.858 -10.786 300 HD23 LEU 45 2HD2 LEU 45 -12.113 -6.500 -9.839 301 H LEU 46 H LEU 46 -7.190 -6.182 -9.763 302 HA LEU 46 HA LEU 46 -5.373 -5.426 -7.646 303 HB2 LEU 46 2HB LEU 46 -4.687 -5.677 -10.038 304 HB3 LEU 46 1HB LEU 46 -5.720 -4.315 -10.434 305 HG LEU 46 HG LEU 46 -4.253 -2.941 -8.866 306 HD11 LEU 46 1HD1 LEU 46 -1.894 -4.465 -9.288 307 HD12 LEU 46 2HD1 LEU 46 -3.061 -5.476 -8.441 308 HD13 LEU 46 3HD1 LEU 46 -2.595 -3.919 -7.764 309 HD21 LEU 46 3HD2 LEU 46 -3.605 -4.051 -11.526 310 HD22 LEU 46 1HD2 LEU 46 -2.378 -3.077 -10.718 311 HD23 LEU 46 2HD2 LEU 46 -3.971 -2.399 -11.040 312 H TYR 47 H TYR 47 -5.031 -3.133 -7.094 313 HA TYR 47 HA TYR 47 -7.427 -1.435 -7.235 314 HB2 TYR 47 2HB TYR 47 -5.939 -2.232 -4.717 315 HB3 TYR 47 1HB TYR 47 -6.961 -0.810 -4.798 316 HD1 TYR 47 1HD TYR 47 -8.774 -3.087 -6.704 317 HD2 TYR 47 2HD TYR 47 -7.550 -2.435 -2.682 318 HE1 TYR 47 1HE TYR 47 -10.684 -4.402 -5.918 319 HE2 TYR 47 2HE TYR 47 -9.458 -3.760 -1.888 320 HH TYR 47 HH TYR 47 -11.932 -4.312 -3.063 321 H LEU 48 H LEU 48 -6.920 0.705 -7.569 322 HA LEU 48 HA LEU 48 -4.076 1.391 -7.654 323 HB2 LEU 48 2HB LEU 48 -5.322 1.902 -9.667 324 HB3 LEU 48 1HB LEU 48 -6.497 2.825 -8.759 325 HG LEU 48 HG LEU 48 -4.473 4.346 -8.141 326 HD11 LEU 48 1HD1 LEU 48 -2.743 2.861 -9.036 327 HD12 LEU 48 2HD1 LEU 48 -2.720 4.447 -9.804 328 HD13 LEU 48 3HD1 LEU 48 -3.414 3.067 -10.653 329 HD21 LEU 48 3HD2 LEU 48 -6.263 5.194 -9.441 330 HD22 LEU 48 1HD2 LEU 48 -5.768 4.260 -10.853 331 HD23 LEU 48 2HD2 LEU 48 -4.774 5.603 -10.292 332 H GLY 49 H GLY 49 -3.169 3.022 -6.488 333 HA2 GLY 49 2HA GLY 49 -4.795 4.705 -4.780 334 HA3 GLY 49 1HA GLY 49 -3.886 3.485 -3.919 335 H THR 50 H THR 50 -3.335 5.806 -3.078 336 HA THR 50 HA THR 50 -0.698 6.462 -4.194 337 HB THR 50 HB THR 50 -1.927 8.768 -2.908 338 HG1 THR 50 1HG THR 50 -3.008 8.603 -5.411 339 HG21 THR 50 1HG2 THR 50 -1.031 9.913 -4.867 340 HG22 THR 50 2HG2 THR 50 -0.753 8.365 -5.665 341 HG23 THR 50 3HG2 THR 50 0.164 8.789 -4.218 342 H ILE 51 H ILE 51 0.861 6.515 -2.732 343 HA ILE 51 HA ILE 51 0.447 5.424 -0.182 344 HB ILE 51 HB ILE 51 2.901 6.801 -1.271 345 HG12 ILE 51 2HG1 ILE 51 2.086 4.889 -2.623 346 HG13 ILE 51 1HG1 ILE 51 3.652 4.571 -1.901 347 HG21 ILE 51 1HG2 ILE 51 3.286 4.683 0.727 348 HG22 ILE 51 2HG2 ILE 51 2.526 6.141 1.360 349 HG23 ILE 51 3HG2 ILE 51 4.095 6.241 0.561 350 HD11 ILE 51 3HD1 ILE 51 1.167 3.140 -1.626 351 HD12 ILE 51 1HD1 ILE 51 1.832 3.577 -0.057 352 HD13 ILE 51 2HD1 ILE 51 2.793 2.643 -1.195 353 H LYS 52 H LYS 52 -0.304 6.247 1.549 354 HA LYS 52 HA LYS 52 -0.111 9.123 2.084 355 HB2 LYS 52 2HB LYS 52 -2.226 7.418 2.318 356 HB3 LYS 52 1HB LYS 52 -1.605 7.407 3.962 357 HG2 LYS 52 2HG LYS 52 -1.729 9.888 3.965 358 HG3 LYS 52 1HG LYS 52 -2.497 9.806 2.379 359 HD2 LYS 52 2HD LYS 52 -4.443 9.676 3.489 360 HD3 LYS 52 1HD LYS 52 -3.968 8.027 3.901 361 HE2 LYS 52 2HE LYS 52 -2.760 9.053 5.897 362 HE3 LYS 52 1HE LYS 52 -3.654 10.530 5.537 363 HZ1 LYS 52 3HZ LYS 52 -4.989 7.920 5.961 364 HZ2 LYS 52 1HZ LYS 52 -5.691 9.459 5.953 365 HZ3 LYS 52 2HZ LYS 52 -4.678 8.998 7.226 366 H LYS 53 H LYS 53 1.046 6.024 3.157 367 HA LYS 53 HA LYS 53 2.871 7.304 5.032 368 HB2 LYS 53 2HB LYS 53 0.551 6.036 5.996 369 HB3 LYS 53 1HB LYS 53 1.851 4.885 6.259 370 HG2 LYS 53 2HG LYS 53 1.914 6.050 8.225 371 HG3 LYS 53 1HG LYS 53 3.089 6.955 7.274 372 HD2 LYS 53 2HD LYS 53 0.503 8.059 6.783 373 HD3 LYS 53 1HD LYS 53 0.722 7.913 8.528 374 HE2 LYS 53 2HE LYS 53 2.777 9.165 8.418 375 HE3 LYS 53 1HE LYS 53 2.708 9.193 6.656 376 HZ1 LYS 53 3HZ LYS 53 0.657 10.428 8.411 377 HZ2 LYS 53 1HZ LYS 53 0.792 10.583 6.732 378 HZ3 LYS 53 2HZ LYS 53 1.958 11.276 7.740 379 H VAL 54 H VAL 54 4.617 5.850 5.711 380 HA VAL 54 HA VAL 54 5.003 3.512 3.984 381 HB VAL 54 HB VAL 54 6.991 5.795 4.214 382 HG11 VAL 54 1HG1 VAL 54 8.441 3.991 4.259 383 HG12 VAL 54 2HG1 VAL 54 8.278 4.269 2.524 384 HG13 VAL 54 3HG1 VAL 54 7.367 2.973 3.299 385 HG21 VAL 54 3HG2 VAL 54 5.798 6.467 2.411 386 HG22 VAL 54 1HG2 VAL 54 5.141 4.857 2.118 387 HG23 VAL 54 2HG2 VAL 54 6.769 5.256 1.573 388 H ASP 55 H ASP 55 5.938 1.850 4.921 389 HA ASP 55 HA ASP 55 7.246 2.183 7.535 390 HB2 ASP 55 2HB ASP 55 5.067 0.325 6.685 391 HB3 ASP 55 1HB ASP 55 6.305 -0.327 7.761 392 H SER 56 H SER 56 9.227 2.315 6.349 393 HA SER 56 HA SER 56 10.137 0.226 4.628 394 HB2 SER 56 2HB SER 56 10.867 2.715 4.735 395 HB3 SER 56 1HB SER 56 11.972 2.170 5.996 396 HG SER 56 HG SER 56 12.679 2.162 3.661 397 H ALA 57 H ALA 57 9.834 0.309 7.962 398 HA ALA 57 HA ALA 57 12.194 -1.277 8.571 399 HB1 ALA 57 3HB ALA 57 11.477 -1.151 10.870 400 HB2 ALA 57 1HB ALA 57 9.913 -0.499 10.382 401 HB3 ALA 57 2HB ALA 57 11.380 0.451 10.140 402 H ARG 58 H ARG 58 8.719 -1.713 8.230 403 HA ARG 58 HA ARG 58 9.016 -4.600 8.720 404 HB2 ARG 58 2HB ARG 58 7.283 -2.922 9.909 405 HB3 ARG 58 1HB ARG 58 6.317 -3.370 8.513 406 HG2 ARG 58 2HG ARG 58 5.672 -5.170 9.651 407 HG3 ARG 58 1HG ARG 58 7.317 -5.784 9.500 408 HD2 ARG 58 2HD ARG 58 7.935 -4.701 11.588 409 HD3 ARG 58 1HD ARG 58 6.319 -4.009 11.726 410 HE ARG 58 HE ARG 58 7.057 -6.817 12.116 411 HH11 ARG 58 1HH1 ARG 58 4.551 -4.354 12.171 412 HH12 ARG 58 2HH1 ARG 58 3.448 -5.335 13.077 413 HH21 ARG 58 1HH2 ARG 58 5.595 -8.081 13.301 414 HH22 ARG 58 2HH2 ARG 58 4.039 -7.442 13.717 415 H GLU 59 H GLU 59 9.197 -2.642 6.175 416 HA GLU 59 HA GLU 59 8.880 -2.761 3.929 417 HB2 GLU 59 2HB GLU 59 8.664 -5.677 4.660 418 HB3 GLU 59 1HB GLU 59 8.484 -5.143 2.993 419 HG2 GLU 59 2HG GLU 59 10.873 -4.236 4.513 420 HG3 GLU 59 1HG GLU 59 10.813 -5.910 3.953 421 H VAL 60 H VAL 60 6.748 -1.821 5.288 422 HA VAL 60 HA VAL 60 4.478 -2.699 3.639 423 HB VAL 60 HB VAL 60 4.025 -1.740 6.452 424 HG11 VAL 60 1HG1 VAL 60 2.031 -3.426 6.041 425 HG12 VAL 60 2HG1 VAL 60 2.385 -3.034 4.362 426 HG13 VAL 60 3HG1 VAL 60 1.971 -1.752 5.496 427 HG21 VAL 60 3HG2 VAL 60 4.138 -3.841 7.428 428 HG22 VAL 60 1HG2 VAL 60 5.546 -3.822 6.366 429 HG23 VAL 60 2HG2 VAL 60 4.082 -4.669 5.875 430 H CYS 61 H CYS 61 2.765 -0.987 3.476 431 HA CYS 61 HA CYS 61 3.485 1.747 4.116 432 HB2 CYS 61 2HB CYS 61 3.592 0.710 1.304 433 HB3 CYS 61 1HB CYS 61 3.031 2.354 1.604 434 HG CYS 61 HG CYS 61 5.434 3.232 1.361 435 H LEU 62 H LEU 62 1.763 3.131 4.098 436 HA LEU 62 HA LEU 62 -0.865 1.883 3.742 437 HB2 LEU 62 2HB LEU 62 0.099 3.460 5.790 438 HB3 LEU 62 1HB LEU 62 -0.774 4.611 4.806 439 HG LEU 62 HG LEU 62 -2.296 3.925 6.465 440 HD11 LEU 62 1HD1 LEU 62 -3.994 3.717 5.054 441 HD12 LEU 62 2HD1 LEU 62 -3.546 2.051 4.692 442 HD13 LEU 62 3HD1 LEU 62 -2.841 3.375 3.764 443 HD21 LEU 62 3HD2 LEU 62 -2.845 1.382 6.618 444 HD22 LEU 62 1HD2 LEU 62 -1.463 2.053 7.485 445 HD23 LEU 62 2HD2 LEU 62 -1.217 1.194 5.964 446 H VAL 63 H VAL 63 -2.272 2.571 2.231 447 HA VAL 63 HA VAL 63 -1.565 4.945 0.677 448 HB VAL 63 HB VAL 63 -0.929 3.789 -1.117 449 HG11 VAL 63 1HG1 VAL 63 -1.547 1.423 0.577 450 HG12 VAL 63 2HG1 VAL 63 0.013 2.035 0.030 451 HG13 VAL 63 3HG1 VAL 63 -1.061 1.217 -1.103 452 HG21 VAL 63 3HG2 VAL 63 -3.266 3.928 -1.813 453 HG22 VAL 63 1HG2 VAL 63 -3.555 2.342 -1.100 454 HG23 VAL 63 2HG2 VAL 63 -2.445 2.506 -2.460 455 H GLN 64 H GLN 64 -3.196 6.065 -0.231 456 HA GLN 64 HA GLN 64 -5.900 5.414 0.678 457 HB2 GLN 64 2HB GLN 64 -4.756 7.745 0.954 458 HB3 GLN 64 1HB GLN 64 -5.114 7.955 -0.753 459 HG2 GLN 64 2HG GLN 64 -7.205 8.560 -0.282 460 HG3 GLN 64 1HG GLN 64 -7.475 7.058 0.605 461 HE21 GLN 64 1HE2 GLN 64 -8.244 7.446 2.536 462 HE22 GLN 64 2HE2 GLN 64 -7.772 8.728 3.594 463 H PHE 65 H PHE 65 -7.576 5.066 -0.792 464 HA PHE 65 HA PHE 65 -6.699 4.570 -3.539 465 HB2 PHE 65 2HB PHE 65 -8.856 3.278 -1.872 466 HB3 PHE 65 1HB PHE 65 -8.564 2.909 -3.576 467 HD1 PHE 65 2HD PHE 65 -6.962 2.853 -0.211 468 HD2 PHE 65 1HD PHE 65 -6.905 1.422 -4.196 469 HE1 PHE 65 2HE PHE 65 -5.207 1.239 0.403 470 HE2 PHE 65 1HE PHE 65 -5.155 -0.193 -3.601 471 HZ PHE 65 HZ PHE 65 -4.322 -0.295 -1.304 472 H GLU 66 H GLU 66 -8.358 4.688 -5.243 473 HA GLU 66 HA GLU 66 -9.319 7.249 -5.629 474 HB2 GLU 66 2HB GLU 66 -9.071 5.067 -7.196 475 HB3 GLU 66 1HB GLU 66 -10.821 5.141 -7.016 476 HG2 GLU 66 2HG GLU 66 -10.558 6.433 -8.874 477 HG3 GLU 66 1HG GLU 66 -10.463 7.668 -7.619 478 H ASP 67 H ASP 67 -11.145 4.396 -4.446 479 HA ASP 67 HA ASP 67 -13.554 6.017 -4.241 480 HB2 ASP 67 2HB ASP 67 -13.598 3.689 -5.088 481 HB3 ASP 67 1HB ASP 67 -13.097 3.117 -3.507 482 H ASP 68 H ASP 68 -11.316 6.823 -2.625 483 HA ASP 68 HA ASP 68 -10.728 7.530 -0.562 484 HB2 ASP 68 2HB ASP 68 -13.664 7.788 -0.686 485 HB3 ASP 68 1HB ASP 68 -12.970 7.883 0.929 486 H SER 69 H SER 69 -9.986 5.086 -0.489 487 HA SER 69 HA SER 69 -10.959 4.023 2.080 488 HB2 SER 69 2HB SER 69 -11.407 2.698 -0.190 489 HB3 SER 69 1HB SER 69 -9.758 2.123 0.108 490 HG SER 69 HG SER 69 -11.976 1.247 1.206 491 H GLN 70 H GLN 70 -9.487 3.739 3.605 492 HA GLN 70 HA GLN 70 -6.653 4.020 2.903 493 HB2 GLN 70 2HB GLN 70 -8.271 4.655 5.300 494 HB3 GLN 70 1HB GLN 70 -6.677 3.989 5.627 495 HG2 GLN 70 2HG GLN 70 -6.987 6.262 3.711 496 HG3 GLN 70 1HG GLN 70 -6.987 6.554 5.451 497 HE21 GLN 70 1HE2 GLN 70 -5.108 5.834 2.687 498 HE22 GLN 70 2HE2 GLN 70 -3.559 5.816 3.466 499 H PHE 71 H PHE 71 -6.049 2.072 2.211 500 HA PHE 71 HA PHE 71 -6.549 -0.248 3.957 501 HB2 PHE 71 2HB PHE 71 -6.780 0.177 1.050 502 HB3 PHE 71 1HB PHE 71 -6.013 -1.334 1.496 503 HD1 PHE 71 1HD PHE 71 -8.524 -0.248 3.891 504 HD2 PHE 71 2HD PHE 71 -7.959 -2.220 0.159 505 HE1 PHE 71 1HE PHE 71 -10.747 -1.262 4.093 506 HE2 PHE 71 2HE PHE 71 -10.185 -3.240 0.365 507 HZ PHE 71 HZ PHE 71 -11.583 -2.760 2.330 508 H LEU 72 H LEU 72 -4.880 -1.140 4.862 509 HA LEU 72 HA LEU 72 -2.194 -0.279 4.404 510 HB2 LEU 72 2HB LEU 72 -3.162 -0.935 6.609 511 HB3 LEU 72 1HB LEU 72 -3.238 -2.596 6.050 512 HG LEU 72 HG LEU 72 -0.555 -1.458 5.827 513 HD11 LEU 72 1HD1 LEU 72 -0.077 -1.421 8.207 514 HD12 LEU 72 2HD1 LEU 72 -1.776 -1.729 8.569 515 HD13 LEU 72 3HD1 LEU 72 -1.298 -0.216 7.804 516 HD21 LEU 72 3HD2 LEU 72 -0.018 -3.562 7.025 517 HD22 LEU 72 1HD2 LEU 72 -0.981 -3.812 5.570 518 HD23 LEU 72 2HD2 LEU 72 -1.743 -3.890 7.158 519 H VAL 73 H VAL 73 -0.840 -1.033 2.907 520 HA VAL 73 HA VAL 73 -1.162 -3.809 1.940 521 HB VAL 73 HB VAL 73 0.028 -1.891 0.027 522 HG11 VAL 73 1HG1 VAL 73 -0.473 -4.416 -0.228 523 HG12 VAL 73 2HG1 VAL 73 -0.787 -3.333 -1.581 524 HG13 VAL 73 3HG1 VAL 73 -2.119 -3.882 -0.564 525 HG21 VAL 73 3HG2 VAL 73 -2.066 -0.773 1.093 526 HG22 VAL 73 1HG2 VAL 73 -2.965 -1.949 0.136 527 HG23 VAL 73 2HG2 VAL 73 -1.897 -0.795 -0.660 528 H LEU 74 H LEU 74 0.658 -4.917 1.292 529 HA LEU 74 HA LEU 74 3.134 -4.019 2.544 530 HB2 LEU 74 2HB LEU 74 1.843 -6.551 2.196 531 HB3 LEU 74 1HB LEU 74 3.428 -6.608 1.454 532 HG LEU 74 HG LEU 74 4.194 -5.570 3.757 533 HD11 LEU 74 1HD1 LEU 74 2.016 -5.275 4.698 534 HD12 LEU 74 2HD1 LEU 74 2.856 -6.535 5.600 535 HD13 LEU 74 3HD1 LEU 74 1.617 -6.967 4.424 536 HD21 LEU 74 3HD2 LEU 74 3.550 -8.448 3.182 537 HD22 LEU 74 1HD2 LEU 74 4.424 -7.938 4.624 538 HD23 LEU 74 2HD2 LEU 74 5.098 -7.619 3.027 539 H TRP 75 H TRP 75 5.140 -4.150 1.484 540 HA TRP 75 HA TRP 75 5.208 -3.073 -1.102 541 HB2 TRP 75 2HB TRP 75 7.404 -4.412 0.483 542 HB3 TRP 75 1HB TRP 75 7.669 -3.523 -1.003 543 HD1 TRP 75 HD TRP 75 5.203 -1.994 1.482 544 HE1 TRP 75 1HE TRP 75 6.262 0.087 2.541 545 HE3 TRP 75 3HE TRP 75 10.004 -2.517 -0.259 546 HZ2 TRP 75 2HZ TRP 75 8.780 1.337 2.654 547 HZ3 TRP 75 3HZ TRP 75 11.671 -0.827 0.390 548 HH2 TRP 75 HH TRP 75 11.067 1.060 1.819 549 H LYS 76 H LYS 76 4.766 -6.321 -0.155 550 HA LYS 76 HA LYS 76 5.893 -7.486 -2.571 551 HB2 LYS 76 2HB LYS 76 4.989 -9.635 -1.693 552 HB3 LYS 76 1HB LYS 76 6.079 -8.824 -0.585 553 HG2 LYS 76 2HG LYS 76 4.492 -8.571 0.996 554 HG3 LYS 76 1HG LYS 76 3.229 -8.213 -0.181 555 HD2 LYS 76 2HD LYS 76 3.293 -10.693 -0.765 556 HD3 LYS 76 1HD LYS 76 4.259 -10.898 0.697 557 HE2 LYS 76 2HE LYS 76 2.199 -9.412 1.645 558 HE3 LYS 76 1HE LYS 76 1.386 -10.337 0.385 559 HZ1 LYS 76 3HZ LYS 76 1.319 -12.039 1.778 560 HZ2 LYS 76 1HZ LYS 76 2.198 -11.185 2.945 561 HZ3 LYS 76 2HZ LYS 76 3.008 -12.109 1.782 562 H ASP 77 H ASP 77 2.753 -6.523 -1.369 563 HA ASP 77 HA ASP 77 1.367 -7.636 -3.692 564 HB2 ASP 77 2HB ASP 77 0.596 -6.783 -0.985 565 HB3 ASP 77 1HB ASP 77 -0.557 -6.349 -2.241 566 H ILE 78 H ILE 78 3.065 -4.915 -3.128 567 HA ILE 78 HA ILE 78 1.194 -3.105 -4.473 568 HB ILE 78 HB ILE 78 3.726 -2.535 -2.927 569 HG12 ILE 78 2HG1 ILE 78 0.937 -1.515 -2.390 570 HG13 ILE 78 1HG1 ILE 78 1.468 -3.086 -1.805 571 HG21 ILE 78 1HG2 ILE 78 2.393 -0.914 -4.947 572 HG22 ILE 78 2HG2 ILE 78 3.955 -0.671 -4.164 573 HG23 ILE 78 3HG2 ILE 78 2.480 -0.103 -3.382 574 HD11 ILE 78 3HD1 ILE 78 3.417 -1.172 -1.077 575 HD12 ILE 78 1HD1 ILE 78 2.364 -2.140 -0.045 576 HD13 ILE 78 2HD1 ILE 78 1.826 -0.563 -0.623 577 H SER 79 H SER 79 1.573 -2.192 -6.398 578 HA SER 79 HA SER 79 4.071 -2.781 -7.829 579 HB2 SER 79 2HB SER 79 1.627 -4.002 -8.410 580 HB3 SER 79 1HB SER 79 1.744 -2.701 -9.600 581 HG SER 79 HG SER 79 3.847 -3.533 -10.115 582 HA PRO 80 HA PRO 80 3.712 1.797 -7.990 583 HB2 PRO 80 2HB PRO 80 6.033 1.346 -9.820 584 HB3 PRO 80 1HB PRO 80 5.842 2.526 -8.518 585 HG2 PRO 80 2HG PRO 80 7.332 0.387 -8.118 586 HG3 PRO 80 1HG PRO 80 6.215 0.936 -6.850 587 HD2 PRO 80 2HD PRO 80 5.926 -1.345 -8.773 588 HD3 PRO 80 1HD PRO 80 5.499 -1.259 -7.051 589 H ALA 81 H ALA 81 2.261 2.754 -9.216 590 HA ALA 81 HA ALA 81 1.527 1.784 -11.817 591 HB1 ALA 81 3HB ALA 81 -0.018 2.727 -10.011 592 HB2 ALA 81 1HB ALA 81 -0.315 3.218 -11.679 593 HB3 ALA 81 2HB ALA 81 0.507 4.315 -10.569 594 H ALA 82 H ALA 82 2.365 2.381 -13.687 595 HA ALA 82 HA ALA 82 3.484 5.086 -13.995 596 HB1 ALA 82 3HB ALA 82 4.763 2.627 -15.178 597 HB2 ALA 82 1HB ALA 82 5.286 3.373 -13.668 598 HB3 ALA 82 2HB ALA 82 5.388 4.276 -15.180 599 H LEU 83 H LEU 83 2.235 2.191 -15.626 600 HA LEU 83 HA LEU 83 1.329 3.900 -17.852 601 HB2 LEU 83 2HB LEU 83 2.520 1.172 -17.806 602 HB3 LEU 83 1HB LEU 83 1.293 1.508 -19.012 603 HG LEU 83 HG LEU 83 3.423 3.530 -18.848 604 HD11 LEU 83 1HD1 LEU 83 4.011 0.688 -19.637 605 HD12 LEU 83 2HD1 LEU 83 4.857 1.688 -18.456 606 HD13 LEU 83 3HD1 LEU 83 4.976 2.063 -20.175 607 HD21 LEU 83 3HD2 LEU 83 2.411 1.960 -21.205 608 HD22 LEU 83 1HD2 LEU 83 3.195 3.540 -21.200 609 HD23 LEU 83 2HD2 LEU 83 1.564 3.361 -20.553 610 HA ALA 331 HA ALA 331 -22.933 -0.494 -15.722 611 HB1 ALA 331 3HB ALA 331 -20.675 0.468 -15.564 612 HB2 ALA 331 1HB ALA 331 -21.384 2.076 -15.427 613 HB3 ALA 331 2HB ALA 331 -21.596 1.144 -16.907 614 H THR 332 H THR 332 -22.128 -1.619 -14.017 615 HA THR 332 HA THR 332 -22.561 -0.442 -11.358 616 HB THR 332 HB THR 332 -23.947 -2.380 -11.663 617 HG1 THR 332 1HG THR 332 -23.475 -2.884 -9.680 618 HG21 THR 332 1HG2 THR 332 -23.258 -4.527 -12.330 619 HG22 THR 332 2HG2 THR 332 -21.550 -4.148 -12.105 620 HG23 THR 332 3HG2 THR 332 -22.440 -3.438 -13.451 621 H GLY 333 H GLY 333 -20.237 -2.313 -13.267 622 HA2 GLY 333 2HA GLY 333 -18.241 -2.142 -11.133 623 HA3 GLY 333 1HA GLY 333 -18.098 -3.073 -12.615 624 H GLY 334 H GLY 334 -17.369 -0.152 -11.023 625 HA2 GLY 334 2HA GLY 334 -15.585 0.673 -13.112 626 HA3 GLY 334 1HA GLY 334 -16.982 1.730 -12.975 627 H VAL 335 H VAL 335 -14.861 0.076 -10.635 628 HA VAL 335 HA VAL 335 -14.579 2.629 -9.208 629 HB VAL 335 HB VAL 335 -15.620 0.617 -8.033 630 HG11 VAL 335 1HG1 VAL 335 -14.382 -1.263 -8.484 631 HG12 VAL 335 2HG1 VAL 335 -13.760 -0.819 -6.894 632 HG13 VAL 335 3HG1 VAL 335 -12.840 -0.417 -8.344 633 HG21 VAL 335 3HG2 VAL 335 -14.073 1.033 -5.940 634 HG22 VAL 335 1HG2 VAL 335 -15.147 2.288 -6.557 635 HG23 VAL 335 2HG2 VAL 335 -13.432 2.317 -6.964 636 H M3L 336 H M3L 336 -12.531 3.301 -8.436 637 HA M3L 336 HA M3L 336 -10.355 3.879 -8.752 638 HB2 M3L 336 1HB M3L 336 -8.723 1.900 -8.767 639 HB3 M3L 336 2HB M3L 336 -10.149 0.874 -8.658 640 HG2 M3L 336 1HG M3L 336 -10.088 3.050 -6.704 641 HG3 M3L 336 2HG M3L 336 -8.782 1.889 -6.523 642 HD2 M3L 336 1HD M3L 336 -10.229 0.124 -6.127 643 HD3 M3L 336 2HD M3L 336 -11.593 0.950 -6.878 644 HE2 M3L 336 1HE M3L 336 -12.194 1.908 -4.954 645 HE3 M3L 336 2HE M3L 336 -10.565 2.462 -4.630 646 HM11 M3L 336 1HM1 M3L 336 -8.994 0.359 -4.318 647 HM12 M3L 336 2HM1 M3L 336 -9.526 -0.801 -3.157 648 HM13 M3L 336 3HM1 M3L 336 -9.189 0.819 -2.664 649 HM21 M3L 336 1HM2 M3L 336 -12.134 -1.148 -3.125 650 HM22 M3L 336 2HM2 M3L 336 -11.380 -1.295 -4.672 651 HM23 M3L 336 3HM2 M3L 336 -12.813 -0.347 -4.499 652 HM31 M3L 336 3HM3 M3L 336 -12.627 1.210 -2.417 653 HM32 M3L 336 1HM3 M3L 336 -11.265 2.277 -2.412 654 HM33 M3L 336 2HM3 M3L 336 -11.179 0.757 -1.597 655 H LYS 337 H LYS 337 -8.312 3.653 -10.115 656 HA LYS 337 HA LYS 337 -8.967 3.053 -12.927 657 HB2 LYS 337 2HB LYS 337 -7.619 5.537 -11.836 658 HB3 LYS 337 1HB LYS 337 -7.616 5.103 -13.535 659 HG2 LYS 337 2HG LYS 337 -9.355 6.581 -13.481 660 HG3 LYS 337 1HG LYS 337 -10.217 5.063 -13.235 661 HD2 LYS 337 2HD LYS 337 -10.932 5.695 -11.202 662 HD3 LYS 337 1HD LYS 337 -9.323 6.230 -10.708 663 HE2 LYS 337 2HE LYS 337 -10.769 7.958 -12.639 664 HE3 LYS 337 1HE LYS 337 -11.407 7.895 -10.999 665 HZ1 LYS 337 3HZ LYS 337 -9.774 9.674 -11.302 666 HZ2 LYS 337 1HZ LYS 337 -8.590 8.530 -11.692 667 HZ3 LYS 337 2HZ LYS 337 -9.271 8.550 -10.144 668 HA PRO 338 HA PRO 338 -4.726 1.372 -11.520 669 HB2 PRO 338 2HB PRO 338 -5.809 -1.333 -11.647 670 HB3 PRO 338 1HB PRO 338 -5.040 -0.509 -10.289 671 HG2 PRO 338 2HG PRO 338 -7.651 -1.117 -10.273 672 HG3 PRO 338 1HG PRO 338 -7.017 0.366 -9.529 673 HD2 PRO 338 2HD PRO 338 -8.259 0.017 -12.253 674 HD3 PRO 338 1HD PRO 338 -8.660 1.211 -10.995 675 H HIS 339 H HIS 339 -3.784 -0.917 -12.399 676 HA HIS 339 HA HIS 339 -2.776 -0.564 -14.895 677 HB2 HIS 339 2HB HIS 339 -2.513 -2.320 -12.847 678 HB3 HIS 339 1HB HIS 339 -3.201 -3.366 -14.063 679 HD1 HIS 339 1HD HIS 339 -1.536 -1.950 -16.463 680 HD2 HIS 339 2HD HIS 339 -0.057 -3.481 -12.887 681 HE1 HIS 339 1HE HIS 339 0.886 -2.468 -16.907 682 HE2 HIS 339 2HE HIS 339 1.770 -3.371 -14.726 683 H ARG 340 H ARG 340 -5.509 -2.751 -14.111 684 HA ARG 340 HA ARG 340 -6.609 -2.356 -16.781 685 HB2 ARG 340 2HB ARG 340 -5.264 -4.791 -15.947 686 HB3 ARG 340 1HB ARG 340 -6.941 -5.105 -16.371 687 HG2 ARG 340 2HG ARG 340 -5.508 -3.407 -18.288 688 HG3 ARG 340 1HG ARG 340 -4.879 -5.044 -18.136 689 HD2 ARG 340 2HD ARG 340 -7.814 -4.543 -18.471 690 HD3 ARG 340 1HD ARG 340 -6.735 -4.591 -19.865 691 HE ARG 340 HE ARG 340 -6.748 -6.858 -18.009 692 HH11 ARG 340 1HH1 ARG 340 -7.530 -5.599 -21.194 693 HH12 ARG 340 2HH1 ARG 340 -7.784 -7.171 -21.878 694 HH21 ARG 340 1HH2 ARG 340 -7.086 -8.903 -18.924 695 HH22 ARG 340 2HH2 ARG 340 -7.532 -9.039 -20.592 696 H TYR 341 H TYR 341 -7.033 -4.238 -13.773 697 HA TYR 341 HA TYR 341 -9.731 -3.164 -13.484 698 HB2 TYR 341 2HB TYR 341 -10.454 -5.592 -12.809 699 HB3 TYR 341 1HB TYR 341 -10.450 -5.127 -14.503 700 HD1 TYR 341 2HD TYR 341 -8.642 -7.055 -11.917 701 HD2 TYR 341 1HD TYR 341 -9.008 -6.203 -16.070 702 HE1 TYR 341 2HE TYR 341 -7.190 -8.970 -12.432 703 HE2 TYR 341 1HE TYR 341 -7.556 -8.117 -16.595 704 HH TYR 341 HH TYR 341 -5.831 -9.475 -15.501 Start of MODEL 3 1 HA SER 5 HA SER 5 16.841 5.483 25.938 2 HB2 SER 5 2HB SER 5 17.200 2.541 26.326 3 HB3 SER 5 1HB SER 5 17.554 3.614 27.680 4 HG SER 5 HG SER 5 15.303 4.485 26.805 5 H ARG 6 H ARG 6 18.362 6.692 26.865 6 HA ARG 6 HA ARG 6 21.175 6.004 26.368 7 HB2 ARG 6 2HB ARG 6 19.734 8.611 26.747 8 HB3 ARG 6 1HB ARG 6 21.467 8.509 27.025 9 HG2 ARG 6 2HG ARG 6 21.937 8.125 24.801 10 HG3 ARG 6 1HG ARG 6 20.328 7.488 24.464 11 HD2 ARG 6 2HD ARG 6 19.384 9.728 24.707 12 HD3 ARG 6 1HD ARG 6 20.988 10.369 25.061 13 HE ARG 6 HE ARG 6 20.939 9.002 22.565 14 HH11 ARG 6 1HH1 ARG 6 20.052 12.061 24.050 15 HH12 ARG 6 2HH1 ARG 6 20.167 12.944 22.565 16 HH21 ARG 6 1HH2 ARG 6 21.081 10.180 20.635 17 HH22 ARG 6 2HH2 ARG 6 20.748 11.880 20.633 18 H LEU 7 H LEU 7 19.035 7.311 28.896 19 HA LEU 7 HA LEU 7 20.800 6.145 30.934 20 HB2 LEU 7 2HB LEU 7 20.954 8.747 30.547 21 HB3 LEU 7 1HB LEU 7 19.462 8.770 31.466 22 HG LEU 7 HG LEU 7 21.502 7.195 32.805 23 HD11 LEU 7 1HD1 LEU 7 22.121 10.091 32.242 24 HD12 LEU 7 2HD1 LEU 7 23.047 8.698 31.682 25 HD13 LEU 7 3HD1 LEU 7 22.962 9.066 33.405 26 HD21 LEU 7 3HD2 LEU 7 20.881 8.622 34.674 27 HD22 LEU 7 1HD2 LEU 7 19.445 8.030 33.840 28 HD23 LEU 7 2HD2 LEU 7 19.993 9.687 33.585 29 H SER 8 H SER 8 17.618 7.524 30.196 30 HA SER 8 HA SER 8 16.400 5.617 32.081 31 HB2 SER 8 2HB SER 8 15.995 8.560 31.820 32 HB3 SER 8 1HB SER 8 14.573 7.573 32.161 33 HG SER 8 HG SER 8 15.428 8.086 34.118 34 H ARG 9 H ARG 9 14.087 5.146 31.570 35 HA ARG 9 HA ARG 9 13.795 4.634 28.739 36 HB2 ARG 9 2HB ARG 9 13.055 3.263 30.997 37 HB3 ARG 9 1HB ARG 9 11.527 3.962 30.480 38 HG2 ARG 9 2HG ARG 9 11.679 2.900 28.348 39 HG3 ARG 9 1HG ARG 9 13.327 2.361 28.676 40 HD2 ARG 9 2HD ARG 9 11.261 1.537 30.623 41 HD3 ARG 9 1HD ARG 9 11.163 0.801 29.023 42 HE ARG 9 HE ARG 9 13.455 0.015 29.366 43 HH11 ARG 9 1HH1 ARG 9 11.682 0.990 32.239 44 HH12 ARG 9 2HH1 ARG 9 12.653 0.027 33.302 45 HH21 ARG 9 1HH2 ARG 9 14.710 -1.236 30.778 46 HH22 ARG 9 2HH2 ARG 9 14.365 -1.229 32.475 47 H SER 10 H SER 10 12.884 5.984 27.386 48 HA SER 10 HA SER 10 10.653 7.684 28.284 49 HB2 SER 10 2HB SER 10 13.147 8.666 27.704 50 HB3 SER 10 1HB SER 10 12.333 8.820 26.147 51 HG SER 10 HG SER 10 11.738 10.040 28.601 52 H GLY 11 H GLY 11 9.424 8.610 26.339 53 HA2 GLY 11 2HA GLY 11 8.647 6.405 24.642 54 HA3 GLY 11 1HA GLY 11 7.891 7.989 24.710 55 H ALA 12 H ALA 12 7.948 7.203 22.296 56 HA ALA 12 HA ALA 12 10.423 8.158 21.017 57 HB1 ALA 12 3HB ALA 12 9.929 5.913 20.376 58 HB2 ALA 12 1HB ALA 12 9.586 6.958 18.998 59 HB3 ALA 12 2HB ALA 12 8.263 6.335 19.983 60 H SER 13 H SER 13 6.943 8.619 21.169 61 HA SER 13 HA SER 13 6.992 10.609 19.043 62 HB2 SER 13 2HB SER 13 4.768 9.361 20.654 63 HB3 SER 13 1HB SER 13 4.490 10.733 19.582 64 HG SER 13 HG SER 13 4.225 8.482 18.724 65 H SER 14 H SER 14 8.113 12.327 19.826 66 HA SER 14 HA SER 14 6.729 14.000 21.774 67 HB2 SER 14 2HB SER 14 8.951 14.562 22.872 68 HB3 SER 14 1HB SER 14 8.327 12.950 23.223 69 HG SER 14 HG SER 14 10.674 13.551 22.247 70 H LEU 15 H LEU 15 6.286 15.732 20.611 71 HA LEU 15 HA LEU 15 6.468 17.627 19.387 72 HB2 LEU 15 2HB LEU 15 9.347 17.144 19.995 73 HB3 LEU 15 1HB LEU 15 8.957 18.307 18.745 74 HG LEU 15 HG LEU 15 7.318 18.971 20.936 75 HD11 LEU 15 1HD1 LEU 15 8.984 19.335 22.709 76 HD12 LEU 15 2HD1 LEU 15 10.155 18.404 21.777 77 HD13 LEU 15 3HD1 LEU 15 8.696 17.625 22.391 78 HD21 LEU 15 3HD2 LEU 15 9.856 20.187 19.856 79 HD22 LEU 15 1HD2 LEU 15 8.764 20.987 20.986 80 HD23 LEU 15 2HD2 LEU 15 8.202 20.563 19.369 81 H TRP 16 H TRP 16 8.858 15.269 18.159 82 HA TRP 16 HA TRP 16 7.595 15.471 15.512 83 HB2 TRP 16 2HB TRP 16 10.534 15.659 16.158 84 HB3 TRP 16 1HB TRP 16 9.966 15.164 14.567 85 HD1 TRP 16 HD TRP 16 10.662 18.192 16.632 86 HE1 TRP 16 1HE TRP 16 10.014 20.318 15.336 87 HE3 TRP 16 3HE TRP 16 8.056 16.048 12.777 88 HZ2 TRP 16 2HZ TRP 16 8.594 21.000 12.998 89 HZ3 TRP 16 3HZ TRP 16 7.088 17.514 11.055 90 HH2 TRP 16 HH TRP 16 7.351 19.938 11.165 91 H ASP 17 H ASP 17 7.438 13.574 14.382 92 HA ASP 17 HA ASP 17 8.152 11.138 15.852 93 HB2 ASP 17 2HB ASP 17 5.858 11.948 14.273 94 HB3 ASP 17 1HB ASP 17 6.519 10.419 13.701 95 HA PRO 18 HA PRO 18 11.390 10.822 12.617 96 HB2 PRO 18 2HB PRO 18 12.297 8.528 14.230 97 HB3 PRO 18 1HB PRO 18 13.183 9.977 13.748 98 HG2 PRO 18 2HG PRO 18 12.407 9.591 16.284 99 HG3 PRO 18 1HG PRO 18 12.417 11.205 15.550 100 HD2 PRO 18 2HD PRO 18 10.106 9.351 16.017 101 HD3 PRO 18 1HD PRO 18 10.215 11.107 16.270 102 H ALA 19 H ALA 19 10.522 10.010 10.814 103 HA ALA 19 HA ALA 19 9.612 7.209 10.785 104 HB1 ALA 19 3HB ALA 19 7.968 9.006 10.178 105 HB2 ALA 19 1HB ALA 19 8.188 7.746 8.963 106 HB3 ALA 19 2HB ALA 19 8.950 9.322 8.748 107 H SER 20 H SER 20 12.146 9.204 9.784 108 HA SER 20 HA SER 20 12.789 7.707 7.377 109 HB2 SER 20 2HB SER 20 13.128 10.249 7.734 110 HB3 SER 20 1HB SER 20 14.568 9.779 8.638 111 HG SER 20 HG SER 20 14.492 8.440 6.321 112 HA PRO 21 HA PRO 21 15.374 4.891 9.772 113 HB2 PRO 21 2HB PRO 21 16.142 3.263 7.760 114 HB3 PRO 21 1HB PRO 21 14.504 3.229 8.424 115 HG2 PRO 21 2HG PRO 21 15.509 4.506 5.912 116 HG3 PRO 21 1HG PRO 21 14.003 3.614 6.191 117 HD2 PRO 21 2HD PRO 21 14.185 6.357 6.134 118 HD3 PRO 21 1HD PRO 21 12.922 5.460 6.996 119 H ALA 22 H ALA 22 17.689 3.768 9.144 120 HA ALA 22 HA ALA 22 19.559 5.953 9.054 121 HB1 ALA 22 3HB ALA 22 19.553 3.498 10.253 122 HB2 ALA 22 1HB ALA 22 20.970 4.533 10.078 123 HB3 ALA 22 2HB ALA 22 20.668 3.245 8.911 124 HA PRO 23 HA PRO 23 20.663 5.909 4.741 125 HB2 PRO 23 2HB PRO 23 23.359 6.370 4.812 126 HB3 PRO 23 1HB PRO 23 22.141 7.622 5.080 127 HG2 PRO 23 2HG PRO 23 23.735 6.067 7.081 128 HG3 PRO 23 1HG PRO 23 23.329 7.794 7.069 129 HD2 PRO 23 2HD PRO 23 22.007 6.021 8.613 130 HD3 PRO 23 1HD PRO 23 21.202 7.429 7.896 131 H THR 24 H THR 24 20.660 4.177 3.505 132 HA THR 24 HA THR 24 22.875 2.284 3.571 133 HB THR 24 HB THR 24 21.132 0.372 3.359 134 HG1 THR 24 1HG THR 24 19.249 1.616 3.340 135 HG21 THR 24 1HG2 THR 24 22.569 0.272 5.198 136 HG22 THR 24 2HG2 THR 24 20.967 0.280 5.934 137 HG23 THR 24 3HG2 THR 24 21.929 1.758 5.899 138 H SER 25 H SER 25 19.798 3.214 2.072 139 HA SER 25 HA SER 25 20.674 2.141 -0.507 140 HB2 SER 25 2HB SER 25 18.310 2.732 -1.208 141 HB3 SER 25 1HB SER 25 18.433 1.514 0.060 142 HG SER 25 HG SER 25 17.029 2.836 0.961 143 H GLY 26 H GLY 26 20.413 3.455 -2.458 144 HA2 GLY 26 2HA GLY 26 21.449 6.141 -2.034 145 HA3 GLY 26 1HA GLY 26 21.364 5.284 -3.564 146 HA PRO 27 HA PRO 27 17.953 8.388 -3.718 147 HB2 PRO 27 2HB PRO 27 18.382 9.319 -6.209 148 HB3 PRO 27 1HB PRO 27 19.328 9.870 -4.823 149 HG2 PRO 27 2HG PRO 27 20.059 7.934 -6.972 150 HG3 PRO 27 1HG PRO 27 21.069 9.139 -6.155 151 HD2 PRO 27 2HD PRO 27 21.011 6.422 -5.562 152 HD3 PRO 27 1HD PRO 27 21.617 7.692 -4.483 153 H ARG 28 H ARG 28 17.795 5.476 -4.286 154 HA ARG 28 HA ARG 28 15.976 5.413 -6.588 155 HB2 ARG 28 2HB ARG 28 17.553 3.310 -5.143 156 HB3 ARG 28 1HB ARG 28 16.157 2.856 -6.110 157 HG2 ARG 28 2HG ARG 28 17.178 3.380 -8.087 158 HG3 ARG 28 1HG ARG 28 18.208 4.611 -7.353 159 HD2 ARG 28 2HD ARG 28 19.489 2.793 -6.243 160 HD3 ARG 28 1HD ARG 28 18.515 1.619 -7.126 161 HE ARG 28 HE ARG 28 19.844 3.571 -8.786 162 HH11 ARG 28 1HH1 ARG 28 20.125 0.404 -7.294 163 HH12 ARG 28 2HH1 ARG 28 21.337 -0.138 -8.405 164 HH21 ARG 28 1HH2 ARG 28 21.433 2.839 -10.229 165 HH22 ARG 28 2HH2 ARG 28 22.076 1.240 -10.065 166 HA PRO 29 HA PRO 29 12.910 5.417 -3.137 167 HB2 PRO 29 2HB PRO 29 11.044 6.515 -5.086 168 HB3 PRO 29 1HB PRO 29 11.641 7.241 -3.592 169 HG2 PRO 29 2HG PRO 29 12.326 8.171 -6.044 170 HG3 PRO 29 1HG PRO 29 13.408 8.270 -4.643 171 HD2 PRO 29 2HD PRO 29 13.416 6.302 -6.907 172 HD3 PRO 29 1HD PRO 29 14.780 7.138 -6.131 173 H ARG 30 H ARG 30 11.362 3.969 -2.658 174 HA ARG 30 HA ARG 30 10.233 2.324 -4.826 175 HB2 ARG 30 2HB ARG 30 11.509 1.460 -2.249 176 HB3 ARG 30 1HB ARG 30 10.275 0.460 -3.004 177 HG2 ARG 30 2HG ARG 30 11.666 0.467 -5.086 178 HG3 ARG 30 1HG ARG 30 12.935 1.267 -4.154 179 HD2 ARG 30 2HD ARG 30 12.961 -0.628 -2.592 180 HD3 ARG 30 1HD ARG 30 11.718 -1.428 -3.553 181 HE ARG 30 HE ARG 30 14.151 -0.713 -4.965 182 HH11 ARG 30 1HH1 ARG 30 12.405 -3.250 -3.273 183 HH12 ARG 30 2HH1 ARG 30 13.333 -4.525 -3.992 184 HH21 ARG 30 1HH2 ARG 30 15.350 -2.399 -5.892 185 HH22 ARG 30 2HH2 ARG 30 14.998 -4.043 -5.472 186 H LEU 31 H LEU 31 9.872 3.624 -1.576 187 HA LEU 31 HA LEU 31 6.971 3.710 -1.880 188 HB2 LEU 31 2HB LEU 31 8.437 2.047 0.098 189 HB3 LEU 31 1HB LEU 31 7.096 2.974 0.727 190 HG LEU 31 HG LEU 31 6.114 0.926 0.284 191 HD11 LEU 31 1HD1 LEU 31 5.636 2.045 -2.439 192 HD12 LEU 31 2HD1 LEU 31 5.062 2.894 -1.004 193 HD13 LEU 31 3HD1 LEU 31 4.519 1.249 -1.333 194 HD21 LEU 31 3HD2 LEU 31 7.902 0.766 -2.109 195 HD22 LEU 31 1HD2 LEU 31 6.502 -0.290 -1.923 196 HD23 LEU 31 2HD2 LEU 31 7.795 -0.320 -0.724 197 H TRP 32 H TRP 32 6.495 5.775 -1.618 198 HA TRP 32 HA TRP 32 7.520 7.242 0.684 199 HB2 TRP 32 2HB TRP 32 8.265 9.172 -0.622 200 HB3 TRP 32 1HB TRP 32 9.159 7.741 -1.103 201 HD1 TRP 32 HD TRP 32 8.086 6.544 -3.480 202 HE1 TRP 32 1HE TRP 32 7.345 7.763 -5.617 203 HE3 TRP 32 3HE TRP 32 7.405 11.246 -1.566 204 HZ2 TRP 32 2HZ TRP 32 6.582 10.359 -6.401 205 HZ3 TRP 32 3HZ TRP 32 6.672 13.038 -3.083 206 HH2 TRP 32 HH TRP 32 6.269 12.602 -5.450 207 H GLU 33 H GLU 33 6.356 9.303 1.047 208 HA GLU 33 HA GLU 33 3.561 8.973 0.845 209 HB2 GLU 33 2HB GLU 33 5.337 11.219 1.736 210 HB3 GLU 33 1HB GLU 33 3.601 11.470 1.600 211 HG2 GLU 33 2HG GLU 33 3.200 9.659 3.173 212 HG3 GLU 33 1HG GLU 33 4.935 9.363 3.287 213 H GLY 34 H GLY 34 2.316 9.224 -0.861 214 HA2 GLY 34 2HA GLY 34 1.252 10.524 -2.525 215 HA3 GLY 34 1HA GLY 34 2.696 11.515 -2.649 216 H GLN 35 H GLN 35 2.851 8.030 -2.607 217 HA GLN 35 HA GLN 35 3.846 8.065 -5.366 218 HB2 GLN 35 2HB GLN 35 5.520 7.089 -4.089 219 HB3 GLN 35 1HB GLN 35 4.387 6.400 -2.938 220 HG2 GLN 35 2HG GLN 35 4.681 4.417 -3.913 221 HG3 GLN 35 1HG GLN 35 3.929 5.065 -5.374 222 HE21 GLN 35 1HE2 GLN 35 6.163 3.143 -4.791 223 HE22 GLN 35 2HE2 GLN 35 7.473 3.685 -5.770 224 H ASP 36 H ASP 36 2.496 7.407 -6.918 225 HA ASP 36 HA ASP 36 0.008 6.122 -6.332 226 HB2 ASP 36 2HB ASP 36 1.393 6.662 -8.965 227 HB3 ASP 36 1HB ASP 36 -0.195 5.924 -8.843 228 H VAL 37 H VAL 37 -0.096 4.136 -5.691 229 HA VAL 37 HA VAL 37 1.794 2.148 -6.749 230 HB VAL 37 HB VAL 37 1.290 0.871 -4.654 231 HG11 VAL 37 1HG1 VAL 37 3.338 2.145 -4.897 232 HG12 VAL 37 2HG1 VAL 37 2.763 2.205 -3.231 233 HG13 VAL 37 3HG1 VAL 37 2.526 3.589 -4.295 234 HG21 VAL 37 3HG2 VAL 37 0.118 1.755 -2.843 235 HG22 VAL 37 1HG2 VAL 37 -0.866 2.241 -4.221 236 HG23 VAL 37 2HG2 VAL 37 0.212 3.405 -3.454 237 H LEU 38 H LEU 38 1.042 -0.091 -6.630 238 HA LEU 38 HA LEU 38 -1.800 -0.373 -7.312 239 HB2 LEU 38 2HB LEU 38 0.603 -1.714 -8.535 240 HB3 LEU 38 1HB LEU 38 -1.041 -2.258 -8.806 241 HG LEU 38 HG LEU 38 -0.126 0.535 -9.475 242 HD11 LEU 38 1HD1 LEU 38 1.254 -0.711 -10.860 243 HD12 LEU 38 2HD1 LEU 38 -0.166 -0.420 -11.865 244 HD13 LEU 38 3HD1 LEU 38 0.054 -1.984 -11.078 245 HD21 LEU 38 3HD2 LEU 38 -2.169 -0.314 -11.163 246 HD22 LEU 38 1HD2 LEU 38 -2.301 0.817 -9.818 247 HD23 LEU 38 2HD2 LEU 38 -2.625 -0.894 -9.561 248 H ALA 39 H ALA 39 -2.595 -1.110 -5.522 249 HA ALA 39 HA ALA 39 -1.228 -3.158 -3.958 250 HB1 ALA 39 3HB ALA 39 -2.599 -0.950 -3.209 251 HB2 ALA 39 1HB ALA 39 -2.410 -2.371 -2.187 252 HB3 ALA 39 2HB ALA 39 -3.883 -2.156 -3.121 253 H ARG 40 H ARG 40 -1.527 -5.158 -4.678 254 HA ARG 40 HA ARG 40 -3.751 -5.991 -6.264 255 HB2 ARG 40 2HB ARG 40 -1.192 -6.890 -5.832 256 HB3 ARG 40 1HB ARG 40 -2.146 -8.074 -4.965 257 HG2 ARG 40 2HG ARG 40 -3.047 -8.955 -6.854 258 HG3 ARG 40 1HG ARG 40 -3.037 -7.414 -7.709 259 HD2 ARG 40 2HD ARG 40 -0.454 -8.757 -7.044 260 HD3 ARG 40 1HD ARG 40 -1.401 -9.315 -8.424 261 HE ARG 40 HE ARG 40 -1.193 -6.564 -8.666 262 HH11 ARG 40 1HH1 ARG 40 1.031 -9.282 -8.651 263 HH12 ARG 40 2HH1 ARG 40 2.185 -8.490 -9.671 264 HH21 ARG 40 1HH2 ARG 40 0.330 -5.549 -10.002 265 HH22 ARG 40 2HH2 ARG 40 1.787 -6.380 -10.436 266 H TRP 41 H TRP 41 -5.631 -6.885 -5.669 267 HA TRP 41 HA TRP 41 -6.128 -7.335 -2.837 268 HB2 TRP 41 2HB TRP 41 -7.670 -5.899 -4.127 269 HB3 TRP 41 1HB TRP 41 -8.117 -7.279 -5.119 270 HD1 TRP 41 HD TRP 41 -7.827 -7.345 -1.234 271 HE1 TRP 41 1HE TRP 41 -10.141 -7.925 -0.271 272 HE3 TRP 41 3HE TRP 41 -10.523 -7.332 -5.557 273 HZ2 TRP 41 2HZ TRP 41 -12.772 -8.320 -1.223 274 HZ3 TRP 41 3HZ TRP 41 -12.941 -7.815 -5.458 275 HH2 TRP 41 HH TRP 41 -14.039 -8.300 -3.329 276 H THR 42 H THR 42 -7.193 -9.226 -2.058 277 HA THR 42 HA THR 42 -5.948 -11.618 -2.899 278 HB THR 42 HB THR 42 -7.584 -12.688 -1.222 279 HG1 THR 42 1HG THR 42 -8.861 -11.360 -0.101 280 HG21 THR 42 1HG2 THR 42 -5.558 -10.578 -0.515 281 HG22 THR 42 2HG2 THR 42 -5.350 -12.329 -0.546 282 HG23 THR 42 3HG2 THR 42 -6.341 -11.580 0.706 283 H ASP 43 H ASP 43 -8.719 -10.188 -4.198 284 HA ASP 43 HA ASP 43 -10.010 -12.715 -4.877 285 HB2 ASP 43 2HB ASP 43 -10.947 -10.106 -4.473 286 HB3 ASP 43 1HB ASP 43 -11.153 -10.412 -6.199 287 H GLY 44 H GLY 44 -7.557 -10.832 -6.141 288 HA2 GLY 44 2HA GLY 44 -6.371 -11.657 -8.082 289 HA3 GLY 44 1HA GLY 44 -7.924 -12.040 -8.804 290 H LEU 45 H LEU 45 -8.769 -9.265 -7.627 291 HA LEU 45 HA LEU 45 -8.103 -7.783 -10.036 292 HB2 LEU 45 2HB LEU 45 -10.061 -7.371 -7.801 293 HB3 LEU 45 1HB LEU 45 -9.721 -6.098 -8.963 294 HG LEU 45 HG LEU 45 -10.384 -8.687 -10.178 295 HD11 LEU 45 1HD1 LEU 45 -11.880 -8.875 -8.321 296 HD12 LEU 45 2HD1 LEU 45 -12.811 -8.400 -9.741 297 HD13 LEU 45 3HD1 LEU 45 -12.403 -7.203 -8.512 298 HD21 LEU 45 3HD2 LEU 45 -11.561 -7.339 -11.711 299 HD22 LEU 45 1HD2 LEU 45 -10.100 -6.436 -11.304 300 HD23 LEU 45 2HD2 LEU 45 -11.644 -5.989 -10.578 301 H LEU 46 H LEU 46 -6.989 -5.902 -10.129 302 HA LEU 46 HA LEU 46 -5.165 -5.309 -7.967 303 HB2 LEU 46 2HB LEU 46 -4.494 -5.409 -10.382 304 HB3 LEU 46 1HB LEU 46 -5.506 -4.008 -10.671 305 HG LEU 46 HG LEU 46 -4.018 -2.702 -9.148 306 HD11 LEU 46 1HD1 LEU 46 -2.497 -3.727 -7.895 307 HD12 LEU 46 2HD1 LEU 46 -1.692 -4.308 -9.355 308 HD13 LEU 46 3HD1 LEU 46 -2.949 -5.280 -8.595 309 HD21 LEU 46 3HD2 LEU 46 -2.025 -3.115 -10.927 310 HD22 LEU 46 1HD2 LEU 46 -3.474 -2.171 -11.250 311 HD23 LEU 46 2HD2 LEU 46 -3.392 -3.851 -11.767 312 H TYR 47 H TYR 47 -4.765 -3.047 -7.298 313 HA TYR 47 HA TYR 47 -7.132 -1.302 -7.309 314 HB2 TYR 47 2HB TYR 47 -5.601 -2.253 -4.876 315 HB3 TYR 47 1HB TYR 47 -6.558 -0.784 -4.862 316 HD1 TYR 47 1HD TYR 47 -8.564 -2.838 -6.801 317 HD2 TYR 47 2HD TYR 47 -7.125 -2.522 -2.811 318 HE1 TYR 47 1HE TYR 47 -10.517 -4.082 -6.009 319 HE2 TYR 47 2HE TYR 47 -9.077 -3.777 -2.011 320 HH TYR 47 HH TYR 47 -11.573 -4.107 -2.998 321 H LEU 48 H LEU 48 -6.598 0.801 -7.662 322 HA LEU 48 HA LEU 48 -3.748 1.486 -7.707 323 HB2 LEU 48 2HB LEU 48 -4.928 1.879 -9.797 324 HB3 LEU 48 1HB LEU 48 -6.139 2.846 -8.975 325 HG LEU 48 HG LEU 48 -4.259 4.488 -8.431 326 HD11 LEU 48 1HD1 LEU 48 -2.382 2.958 -8.884 327 HD12 LEU 48 2HD1 LEU 48 -2.287 4.444 -9.828 328 HD13 LEU 48 3HD1 LEU 48 -2.826 2.949 -10.591 329 HD21 LEU 48 3HD2 LEU 48 -5.654 5.340 -10.011 330 HD22 LEU 48 1HD2 LEU 48 -5.464 3.955 -11.087 331 HD23 LEU 48 2HD2 LEU 48 -4.196 5.178 -10.990 332 H GLY 49 H GLY 49 -2.873 2.948 -6.373 333 HA2 GLY 49 2HA GLY 49 -4.579 4.748 -4.839 334 HA3 GLY 49 1HA GLY 49 -3.732 3.530 -3.915 335 H THR 50 H THR 50 -3.169 5.813 -3.037 336 HA THR 50 HA THR 50 -0.488 6.460 -4.056 337 HB THR 50 HB THR 50 -1.694 8.761 -2.763 338 HG1 THR 50 1HG THR 50 -3.260 7.465 -4.564 339 HG21 THR 50 1HG2 THR 50 0.396 8.656 -4.148 340 HG22 THR 50 2HG2 THR 50 -0.727 9.931 -4.618 341 HG23 THR 50 3HG2 THR 50 -0.627 8.450 -5.569 342 H ILE 51 H ILE 51 1.033 6.564 -2.534 343 HA ILE 51 HA ILE 51 0.532 5.400 -0.020 344 HB ILE 51 HB ILE 51 3.024 6.778 -1.019 345 HG12 ILE 51 2HG1 ILE 51 2.237 4.881 -2.411 346 HG13 ILE 51 1HG1 ILE 51 3.786 4.555 -1.652 347 HG21 ILE 51 1HG2 ILE 51 2.769 6.371 1.542 348 HG22 ILE 51 2HG2 ILE 51 4.263 5.899 0.734 349 HG23 ILE 51 3HG2 ILE 51 3.050 4.681 1.121 350 HD11 ILE 51 3HD1 ILE 51 2.919 2.629 -0.960 351 HD12 ILE 51 1HD1 ILE 51 1.310 3.107 -1.474 352 HD13 ILE 51 2HD1 ILE 51 1.892 3.552 0.127 353 H LYS 52 H LYS 52 -0.281 6.211 1.697 354 HA LYS 52 HA LYS 52 -0.078 9.080 2.267 355 HB2 LYS 52 2HB LYS 52 -2.060 7.020 2.767 356 HB3 LYS 52 1HB LYS 52 -1.638 7.859 4.253 357 HG2 LYS 52 2HG LYS 52 -2.232 9.516 1.861 358 HG3 LYS 52 1HG LYS 52 -3.577 8.702 2.659 359 HD2 LYS 52 2HD LYS 52 -3.031 9.763 4.761 360 HD3 LYS 52 1HD LYS 52 -1.586 10.491 4.054 361 HE2 LYS 52 2HE LYS 52 -3.116 12.234 3.990 362 HE3 LYS 52 1HE LYS 52 -3.242 11.553 2.369 363 HZ1 LYS 52 3HZ LYS 52 -5.103 11.143 4.641 364 HZ2 LYS 52 1HZ LYS 52 -5.167 10.238 3.212 365 HZ3 LYS 52 2HZ LYS 52 -5.426 11.908 3.167 366 H LYS 53 H LYS 53 1.042 5.973 3.342 367 HA LYS 53 HA LYS 53 2.812 7.231 5.281 368 HB2 LYS 53 2HB LYS 53 0.460 5.986 6.175 369 HB3 LYS 53 1HB LYS 53 1.730 4.807 6.452 370 HG2 LYS 53 2HG LYS 53 1.759 5.948 8.436 371 HG3 LYS 53 1HG LYS 53 2.987 6.828 7.530 372 HD2 LYS 53 2HD LYS 53 0.459 8.018 6.970 373 HD3 LYS 53 1HD LYS 53 0.603 7.835 8.719 374 HE2 LYS 53 2HE LYS 53 2.814 8.937 8.608 375 HE3 LYS 53 1HE LYS 53 2.573 9.187 6.879 376 HZ1 LYS 53 3HZ LYS 53 1.985 11.065 8.523 377 HZ2 LYS 53 1HZ LYS 53 0.573 10.176 8.802 378 HZ3 LYS 53 2HZ LYS 53 0.926 10.738 7.247 379 H VAL 54 H VAL 54 4.529 5.756 6.004 380 HA VAL 54 HA VAL 54 4.952 3.438 4.261 381 HB VAL 54 HB VAL 54 6.926 5.716 4.582 382 HG11 VAL 54 1HG1 VAL 54 7.874 3.288 4.706 383 HG12 VAL 54 2HG1 VAL 54 8.642 4.471 3.649 384 HG13 VAL 54 3HG1 VAL 54 7.543 3.270 2.976 385 HG21 VAL 54 3HG2 VAL 54 5.541 6.272 2.802 386 HG22 VAL 54 1HG2 VAL 54 5.368 4.596 2.285 387 HG23 VAL 54 2HG2 VAL 54 6.884 5.448 2.008 388 H ASP 55 H ASP 55 5.852 1.754 5.195 389 HA ASP 55 HA ASP 55 7.075 2.032 7.857 390 HB2 ASP 55 2HB ASP 55 4.932 0.187 6.894 391 HB3 ASP 55 1HB ASP 55 6.131 -0.474 8.009 392 H SER 56 H SER 56 9.101 2.170 6.784 393 HA SER 56 HA SER 56 10.053 0.110 5.036 394 HB2 SER 56 2HB SER 56 11.586 2.294 6.462 395 HB3 SER 56 1HB SER 56 12.178 1.320 5.116 396 HG SER 56 HG SER 56 10.105 3.242 5.115 397 H ALA 57 H ALA 57 9.553 0.008 8.293 398 HA ALA 57 HA ALA 57 11.967 -1.453 9.009 399 HB1 ALA 57 3HB ALA 57 10.863 -1.600 11.259 400 HB2 ALA 57 1HB ALA 57 9.544 -0.635 10.599 401 HB3 ALA 57 2HB ALA 57 11.172 0.038 10.683 402 H ARG 58 H ARG 58 8.507 -2.074 8.568 403 HA ARG 58 HA ARG 58 9.008 -4.962 8.831 404 HB2 ARG 58 2HB ARG 58 6.655 -3.228 9.422 405 HB3 ARG 58 1HB ARG 58 6.354 -4.886 8.924 406 HG2 ARG 58 2HG ARG 58 7.051 -5.738 10.886 407 HG3 ARG 58 1HG ARG 58 8.393 -4.602 11.016 408 HD2 ARG 58 2HD ARG 58 6.989 -4.069 12.811 409 HD3 ARG 58 1HD ARG 58 6.632 -2.845 11.596 410 HE ARG 58 HE ARG 58 4.726 -4.556 11.035 411 HH11 ARG 58 1HH1 ARG 58 5.829 -3.604 14.231 412 HH12 ARG 58 2HH1 ARG 58 4.286 -3.877 14.969 413 HH21 ARG 58 1HH2 ARG 58 2.716 -4.905 12.024 414 HH22 ARG 58 2HH2 ARG 58 2.527 -4.614 13.721 415 H GLU 59 H GLU 59 9.107 -2.895 6.430 416 HA GLU 59 HA GLU 59 8.793 -2.896 4.178 417 HB2 GLU 59 2HB GLU 59 8.517 -5.855 4.718 418 HB3 GLU 59 1HB GLU 59 8.435 -5.193 3.091 419 HG2 GLU 59 2HG GLU 59 10.760 -4.434 4.769 420 HG3 GLU 59 1HG GLU 59 10.697 -6.085 4.144 421 H VAL 60 H VAL 60 6.703 -1.920 5.451 422 HA VAL 60 HA VAL 60 4.412 -2.776 3.820 423 HB VAL 60 HB VAL 60 3.871 -1.768 6.586 424 HG11 VAL 60 1HG1 VAL 60 2.401 -3.192 4.473 425 HG12 VAL 60 2HG1 VAL 60 1.844 -1.995 5.638 426 HG13 VAL 60 3HG1 VAL 60 2.040 -3.677 6.127 427 HG21 VAL 60 3HG2 VAL 60 4.612 -4.622 5.977 428 HG22 VAL 60 1HG2 VAL 60 3.738 -4.124 7.426 429 HG23 VAL 60 2HG2 VAL 60 5.375 -3.535 7.137 430 H CYS 61 H CYS 61 2.719 -1.046 3.673 431 HA CYS 61 HA CYS 61 3.441 1.676 4.337 432 HB2 CYS 61 2HB CYS 61 3.615 0.666 1.518 433 HB3 CYS 61 1HB CYS 61 3.043 2.306 1.818 434 HG CYS 61 HG CYS 61 5.500 3.066 1.473 435 H LEU 62 H LEU 62 1.721 3.074 4.268 436 HA LEU 62 HA LEU 62 -0.900 1.834 3.831 437 HB2 LEU 62 2HB LEU 62 -0.001 3.393 5.916 438 HB3 LEU 62 1HB LEU 62 -0.827 4.560 4.910 439 HG LEU 62 HG LEU 62 -2.430 3.888 6.486 440 HD11 LEU 62 1HD1 LEU 62 -2.962 3.539 3.853 441 HD12 LEU 62 2HD1 LEU 62 -4.163 3.397 5.137 442 HD13 LEU 62 3HD1 LEU 62 -3.389 1.951 4.489 443 HD21 LEU 62 3HD2 LEU 62 -2.965 1.337 6.651 444 HD22 LEU 62 1HD2 LEU 62 -1.639 2.042 7.579 445 HD23 LEU 62 2HD2 LEU 62 -1.303 1.164 6.086 446 H VAL 63 H VAL 63 -2.259 2.534 2.282 447 HA VAL 63 HA VAL 63 -1.508 4.912 0.756 448 HB VAL 63 HB VAL 63 -0.805 3.755 -1.014 449 HG11 VAL 63 1HG1 VAL 63 0.075 1.982 0.152 450 HG12 VAL 63 2HG1 VAL 63 -0.970 1.183 -1.022 451 HG13 VAL 63 3HG1 VAL 63 -1.510 1.386 0.642 452 HG21 VAL 63 3HG2 VAL 63 -2.282 2.527 -2.433 453 HG22 VAL 63 1HG2 VAL 63 -3.140 3.918 -1.767 454 HG23 VAL 63 2HG2 VAL 63 -3.429 2.305 -1.112 455 H GLN 64 H GLN 64 -3.115 6.027 -0.204 456 HA GLN 64 HA GLN 64 -5.842 5.391 0.635 457 HB2 GLN 64 2HB GLN 64 -4.714 7.728 0.884 458 HB3 GLN 64 1HB GLN 64 -5.005 7.894 -0.840 459 HG2 GLN 64 2HG GLN 64 -7.136 8.452 -0.502 460 HG3 GLN 64 1HG GLN 64 -7.405 7.043 0.529 461 HE21 GLN 64 1HE2 GLN 64 -7.929 7.456 2.545 462 HE22 GLN 64 2HE2 GLN 64 -7.584 8.908 3.415 463 H PHE 65 H PHE 65 -7.466 4.960 -0.871 464 HA PHE 65 HA PHE 65 -6.487 4.408 -3.572 465 HB2 PHE 65 2HB PHE 65 -8.644 3.113 -1.921 466 HB3 PHE 65 1HB PHE 65 -8.358 2.736 -3.621 467 HD1 PHE 65 2HD PHE 65 -6.878 2.599 -0.236 468 HD2 PHE 65 1HD PHE 65 -6.555 1.405 -4.286 469 HE1 PHE 65 2HE PHE 65 -5.097 1.015 0.382 470 HE2 PHE 65 1HE PHE 65 -4.776 -0.180 -3.686 471 HZ PHE 65 HZ PHE 65 -4.061 -0.385 -1.352 472 H GLU 66 H GLU 66 -8.244 4.269 -5.260 473 HA GLU 66 HA GLU 66 -9.167 6.798 -5.920 474 HB2 GLU 66 2HB GLU 66 -8.922 4.419 -7.194 475 HB3 GLU 66 1HB GLU 66 -10.672 4.565 -7.082 476 HG2 GLU 66 2HG GLU 66 -10.307 5.604 -9.074 477 HG3 GLU 66 1HG GLU 66 -10.206 6.987 -7.983 478 H ASP 67 H ASP 67 -11.035 4.058 -4.563 479 HA ASP 67 HA ASP 67 -13.394 5.757 -4.397 480 HB2 ASP 67 2HB ASP 67 -13.476 3.393 -5.259 481 HB3 ASP 67 1HB ASP 67 -13.150 2.841 -3.625 482 H ASP 68 H ASP 68 -11.195 6.509 -2.760 483 HA ASP 68 HA ASP 68 -10.633 7.203 -0.688 484 HB2 ASP 68 2HB ASP 68 -13.636 7.145 -0.473 485 HB3 ASP 68 1HB ASP 68 -12.628 7.715 0.853 486 H SER 69 H SER 69 -9.799 4.797 -0.707 487 HA SER 69 HA SER 69 -10.774 3.528 1.770 488 HB2 SER 69 2HB SER 69 -10.528 2.399 -0.803 489 HB3 SER 69 1HB SER 69 -9.232 1.686 0.161 490 HG SER 69 HG SER 69 -11.450 0.689 0.190 491 H GLN 70 H GLN 70 -9.397 3.395 3.399 492 HA GLN 70 HA GLN 70 -6.542 3.859 2.884 493 HB2 GLN 70 2HB GLN 70 -8.349 4.476 5.145 494 HB3 GLN 70 1HB GLN 70 -6.765 3.870 5.610 495 HG2 GLN 70 2HG GLN 70 -7.028 6.114 3.645 496 HG3 GLN 70 1HG GLN 70 -7.115 6.409 5.381 497 HE21 GLN 70 1HE2 GLN 70 -5.097 5.963 2.716 498 HE22 GLN 70 2HE2 GLN 70 -3.583 5.907 3.558 499 H PHE 71 H PHE 71 -5.870 1.917 2.233 500 HA PHE 71 HA PHE 71 -6.351 -0.379 4.012 501 HB2 PHE 71 2HB PHE 71 -6.718 0.012 1.167 502 HB3 PHE 71 1HB PHE 71 -5.646 -1.346 1.466 503 HD1 PHE 71 1HD PHE 71 -8.263 -0.734 3.978 504 HD2 PHE 71 2HD PHE 71 -7.344 -2.667 0.297 505 HE1 PHE 71 1HE PHE 71 -10.225 -2.185 4.251 506 HE2 PHE 71 2HE PHE 71 -9.302 -4.126 0.572 507 HZ PHE 71 HZ PHE 71 -10.748 -3.884 2.549 508 H LEU 72 H LEU 72 -4.695 -1.300 4.914 509 HA LEU 72 HA LEU 72 -2.006 -0.387 4.487 510 HB2 LEU 72 2HB LEU 72 -3.018 -0.992 6.700 511 HB3 LEU 72 1HB LEU 72 -3.046 -2.668 6.185 512 HG LEU 72 HG LEU 72 -0.385 -1.489 5.977 513 HD11 LEU 72 1HD1 LEU 72 -1.198 -0.187 7.896 514 HD12 LEU 72 2HD1 LEU 72 0.053 -1.339 8.357 515 HD13 LEU 72 3HD1 LEU 72 -1.640 -1.686 8.710 516 HD21 LEU 72 3HD2 LEU 72 0.138 -3.532 7.325 517 HD22 LEU 72 1HD2 LEU 72 -0.697 -3.846 5.806 518 HD23 LEU 72 2HD2 LEU 72 -1.585 -3.898 7.330 519 H VAL 73 H VAL 73 -0.821 -1.098 2.823 520 HA VAL 73 HA VAL 73 -1.138 -3.905 1.943 521 HB VAL 73 HB VAL 73 0.178 -2.024 0.071 522 HG11 VAL 73 1HG1 VAL 73 -0.598 -3.453 -1.564 523 HG12 VAL 73 2HG1 VAL 73 -1.988 -3.965 -0.607 524 HG13 VAL 73 3HG1 VAL 73 -0.374 -4.543 -0.198 525 HG21 VAL 73 3HG2 VAL 73 -1.927 -0.859 1.063 526 HG22 VAL 73 1HG2 VAL 73 -2.817 -2.018 0.077 527 HG23 VAL 73 2HG2 VAL 73 -1.699 -0.890 -0.684 528 H LEU 74 H LEU 74 0.625 -5.092 1.301 529 HA LEU 74 HA LEU 74 3.108 -4.457 2.679 530 HB2 LEU 74 2HB LEU 74 2.278 -6.951 1.175 531 HB3 LEU 74 1HB LEU 74 3.752 -6.769 2.094 532 HG LEU 74 HG LEU 74 2.367 -8.063 3.460 533 HD11 LEU 74 1HD1 LEU 74 3.360 -5.924 4.494 534 HD12 LEU 74 2HD1 LEU 74 2.195 -6.875 5.415 535 HD13 LEU 74 3HD1 LEU 74 1.680 -5.400 4.599 536 HD21 LEU 74 3HD2 LEU 74 0.257 -8.038 2.536 537 HD22 LEU 74 1HD2 LEU 74 0.155 -6.277 2.547 538 HD23 LEU 74 2HD2 LEU 74 0.004 -7.178 4.055 539 H TRP 75 H TRP 75 5.140 -4.406 1.654 540 HA TRP 75 HA TRP 75 5.259 -3.089 -0.820 541 HB2 TRP 75 2HB TRP 75 7.399 -4.483 0.779 542 HB3 TRP 75 1HB TRP 75 7.744 -3.598 -0.694 543 HD1 TRP 75 HD TRP 75 5.166 -2.066 1.665 544 HE1 TRP 75 1HE TRP 75 6.175 0.018 2.769 545 HE3 TRP 75 3HE TRP 75 10.042 -2.591 0.156 546 HZ2 TRP 75 2HZ TRP 75 8.683 1.268 3.001 547 HZ3 TRP 75 3HZ TRP 75 11.678 -0.902 0.879 548 HH2 TRP 75 HH TRP 75 11.008 0.989 2.274 549 H LYS 76 H LYS 76 4.873 -6.423 -0.221 550 HA LYS 76 HA LYS 76 6.082 -7.290 -2.726 551 HB2 LYS 76 2HB LYS 76 5.104 -9.558 -2.048 552 HB3 LYS 76 1HB LYS 76 6.384 -8.897 -1.048 553 HG2 LYS 76 2HG LYS 76 4.615 -8.089 0.529 554 HG3 LYS 76 1HG LYS 76 3.438 -8.985 -0.430 555 HD2 LYS 76 2HD LYS 76 4.374 -11.052 0.145 556 HD3 LYS 76 1HD LYS 76 5.888 -10.318 0.682 557 HE2 LYS 76 2HE LYS 76 3.386 -9.548 2.090 558 HE3 LYS 76 1HE LYS 76 4.050 -11.151 2.404 559 HZ1 LYS 76 3HZ LYS 76 6.129 -10.145 3.055 560 HZ2 LYS 76 1HZ LYS 76 4.868 -9.484 3.969 561 HZ3 LYS 76 2HZ LYS 76 5.543 -8.600 2.694 562 H ASP 77 H ASP 77 2.873 -6.669 -1.437 563 HA ASP 77 HA ASP 77 1.540 -7.631 -3.841 564 HB2 ASP 77 2HB ASP 77 0.725 -6.879 -1.120 565 HB3 ASP 77 1HB ASP 77 -0.408 -6.397 -2.373 566 H ILE 78 H ILE 78 3.252 -4.972 -3.239 567 HA ILE 78 HA ILE 78 1.405 -3.104 -4.542 568 HB ILE 78 HB ILE 78 3.905 -2.582 -2.926 569 HG12 ILE 78 2HG1 ILE 78 1.096 -1.610 -2.394 570 HG13 ILE 78 1HG1 ILE 78 1.644 -3.188 -1.847 571 HG21 ILE 78 1HG2 ILE 78 2.555 -0.891 -4.890 572 HG22 ILE 78 2HG2 ILE 78 4.136 -0.697 -4.134 573 HG23 ILE 78 3HG2 ILE 78 2.687 -0.137 -3.299 574 HD11 ILE 78 3HD1 ILE 78 2.498 -2.277 -0.049 575 HD12 ILE 78 1HD1 ILE 78 1.951 -0.692 -0.593 576 HD13 ILE 78 2HD1 ILE 78 3.555 -1.272 -1.039 577 H SER 79 H SER 79 1.828 -2.182 -6.447 578 HA SER 79 HA SER 79 4.377 -2.737 -7.803 579 HB2 SER 79 2HB SER 79 1.935 -3.909 -8.498 580 HB3 SER 79 1HB SER 79 2.122 -2.586 -9.653 581 HG SER 79 HG SER 79 3.605 -4.910 -9.347 582 HA PRO 80 HA PRO 80 4.048 1.849 -7.789 583 HB2 PRO 80 2HB PRO 80 6.464 1.430 -9.504 584 HB3 PRO 80 1HB PRO 80 6.208 2.578 -8.184 585 HG2 PRO 80 2HG PRO 80 7.655 0.415 -7.754 586 HG3 PRO 80 1HG PRO 80 6.471 0.943 -6.538 587 HD2 PRO 80 2HD PRO 80 6.280 -1.292 -8.527 588 HD3 PRO 80 1HD PRO 80 5.743 -1.236 -6.834 589 H ALA 81 H ALA 81 2.667 2.851 -9.046 590 HA ALA 81 HA ALA 81 1.957 1.986 -11.663 591 HB1 ALA 81 3HB ALA 81 0.446 3.068 -9.952 592 HB2 ALA 81 1HB ALA 81 0.302 3.673 -11.602 593 HB3 ALA 81 2HB ALA 81 1.191 4.604 -10.397 594 H ALA 82 H ALA 82 3.492 4.966 -10.461 595 HA ALA 82 HA ALA 82 4.901 6.483 -11.334 596 HB1 ALA 82 3HB ALA 82 6.316 5.895 -13.303 597 HB2 ALA 82 1HB ALA 82 5.424 4.377 -13.426 598 HB3 ALA 82 2HB ALA 82 6.380 4.724 -11.985 599 H LEU 83 H LEU 83 3.207 5.047 -14.150 600 HA LEU 83 HA LEU 83 2.211 7.731 -14.817 601 HB2 LEU 83 2HB LEU 83 3.572 5.766 -16.640 602 HB3 LEU 83 1HB LEU 83 2.479 6.986 -17.266 603 HG LEU 83 HG LEU 83 4.385 8.251 -15.545 604 HD11 LEU 83 1HD1 LEU 83 5.837 6.358 -15.984 605 HD12 LEU 83 2HD1 LEU 83 6.426 7.793 -16.825 606 HD13 LEU 83 3HD1 LEU 83 5.573 6.534 -17.719 607 HD21 LEU 83 3HD2 LEU 83 4.078 8.381 -18.540 608 HD22 LEU 83 1HD2 LEU 83 4.797 9.599 -17.487 609 HD23 LEU 83 2HD2 LEU 83 3.069 9.261 -17.391 610 HA ALA 331 HA ALA 331 -15.861 16.077 -11.095 611 HB1 ALA 331 3HB ALA 331 -15.791 14.196 -12.523 612 HB2 ALA 331 1HB ALA 331 -14.446 13.479 -11.636 613 HB3 ALA 331 2HB ALA 331 -14.191 14.932 -12.602 614 H THR 332 H THR 332 -14.272 13.654 -9.044 615 HA THR 332 HA THR 332 -14.978 12.278 -7.388 616 HB THR 332 HB THR 332 -17.608 13.538 -6.922 617 HG1 THR 332 1HG THR 332 -15.265 15.055 -6.378 618 HG21 THR 332 1HG2 THR 332 -16.606 11.987 -5.329 619 HG22 THR 332 2HG2 THR 332 -16.770 13.589 -4.611 620 HG23 THR 332 3HG2 THR 332 -15.195 13.033 -5.175 621 H GLY 333 H GLY 333 -15.580 10.268 -7.731 622 HA2 GLY 333 2HA GLY 333 -17.234 8.574 -7.966 623 HA3 GLY 333 1HA GLY 333 -18.233 9.711 -8.860 624 H GLY 334 H GLY 334 -15.378 7.659 -9.021 625 HA2 GLY 334 2HA GLY 334 -15.895 7.128 -11.827 626 HA3 GLY 334 1HA GLY 334 -14.377 7.946 -11.498 627 H VAL 335 H VAL 335 -15.181 5.969 -8.923 628 HA VAL 335 HA VAL 335 -14.147 4.211 -7.963 629 HB VAL 335 HB VAL 335 -16.026 3.290 -9.375 630 HG11 VAL 335 1HG1 VAL 335 -15.594 1.943 -11.282 631 HG12 VAL 335 2HG1 VAL 335 -13.854 2.189 -11.128 632 HG13 VAL 335 3HG1 VAL 335 -14.902 3.542 -11.557 633 HG21 VAL 335 3HG2 VAL 335 -13.936 1.182 -8.969 634 HG22 VAL 335 1HG2 VAL 335 -15.678 1.090 -8.710 635 HG23 VAL 335 2HG2 VAL 335 -14.669 2.020 -7.602 636 H M3L 336 H M3L 336 -12.555 2.179 -8.492 637 HA M3L 336 HA M3L 336 -9.981 3.224 -8.776 638 HB2 M3L 336 1HB M3L 336 -9.147 1.046 -8.569 639 HB3 M3L 336 2HB M3L 336 -10.519 0.337 -9.400 640 HG2 M3L 336 1HG M3L 336 -11.053 -0.312 -7.306 641 HG3 M3L 336 2HG M3L 336 -11.782 1.287 -7.251 642 HD2 M3L 336 1HD M3L 336 -9.369 1.992 -6.454 643 HD3 M3L 336 2HD M3L 336 -9.297 0.298 -5.969 644 HE2 M3L 336 1HE M3L 336 -11.788 1.668 -5.198 645 HE3 M3L 336 2HE M3L 336 -10.354 2.348 -4.460 646 HM11 M3L 336 1HM1 M3L 336 -9.272 0.556 -2.325 647 HM12 M3L 336 2HM1 M3L 336 -8.645 0.429 -3.924 648 HM13 M3L 336 3HM1 M3L 336 -9.264 -0.973 -3.133 649 HM21 M3L 336 1HM2 M3L 336 -12.276 -0.682 -5.002 650 HM22 M3L 336 2HM2 M3L 336 -11.742 -1.559 -3.614 651 HM23 M3L 336 3HM2 M3L 336 -10.723 -1.444 -5.002 652 HM31 M3L 336 3HM3 M3L 336 -12.680 0.684 -2.875 653 HM32 M3L 336 1HM3 M3L 336 -11.492 1.878 -2.497 654 HM33 M3L 336 2HM3 M3L 336 -11.400 0.311 -1.780 655 H LYS 337 H LYS 337 -8.346 2.978 -10.369 656 HA LYS 337 HA LYS 337 -9.265 2.352 -13.095 657 HB2 LYS 337 2HB LYS 337 -7.721 4.827 -12.279 658 HB3 LYS 337 1HB LYS 337 -7.985 4.328 -13.940 659 HG2 LYS 337 2HG LYS 337 -9.790 5.638 -13.889 660 HG3 LYS 337 1HG LYS 337 -10.536 4.370 -12.918 661 HD2 LYS 337 2HD LYS 337 -10.875 6.054 -11.446 662 HD3 LYS 337 1HD LYS 337 -9.196 5.755 -10.989 663 HE2 LYS 337 2HE LYS 337 -8.659 7.445 -12.894 664 HE3 LYS 337 1HE LYS 337 -10.345 7.927 -12.707 665 HZ1 LYS 337 3HZ LYS 337 -8.931 7.721 -10.212 666 HZ2 LYS 337 1HZ LYS 337 -9.894 8.979 -10.806 667 HZ3 LYS 337 2HZ LYS 337 -8.266 8.877 -11.252 668 HA PRO 338 HA PRO 338 -4.808 0.841 -12.190 669 HB2 PRO 338 2HB PRO 338 -5.608 -1.733 -11.166 670 HB3 PRO 338 1HB PRO 338 -4.724 -0.456 -10.330 671 HG2 PRO 338 2HG PRO 338 -7.243 -1.225 -9.647 672 HG3 PRO 338 1HG PRO 338 -6.609 0.415 -9.403 673 HD2 PRO 338 2HD PRO 338 -8.324 -0.628 -11.648 674 HD3 PRO 338 1HD PRO 338 -8.533 0.850 -10.682 675 H HIS 339 H HIS 339 -3.967 -1.618 -12.635 676 HA HIS 339 HA HIS 339 -4.656 -2.174 -15.386 677 HB2 HIS 339 2HB HIS 339 -2.413 -2.467 -15.412 678 HB3 HIS 339 1HB HIS 339 -2.361 -2.376 -13.664 679 HD1 HIS 339 1HD HIS 339 -3.038 -5.063 -16.275 680 HD2 HIS 339 2HD HIS 339 -1.311 -4.530 -12.536 681 HE1 HIS 339 1HE HIS 339 -2.008 -7.273 -15.683 682 HE2 HIS 339 2HE HIS 339 -0.869 -6.899 -13.474 683 H ARG 340 H ARG 340 -6.338 -3.437 -15.772 684 HA ARG 340 HA ARG 340 -7.076 -5.542 -13.883 685 HB2 ARG 340 2HB ARG 340 -8.619 -3.681 -15.064 686 HB3 ARG 340 1HB ARG 340 -8.778 -4.971 -16.248 687 HG2 ARG 340 2HG ARG 340 -9.657 -6.467 -14.594 688 HG3 ARG 340 1HG ARG 340 -9.331 -5.305 -13.306 689 HD2 ARG 340 2HD ARG 340 -11.616 -5.066 -13.717 690 HD3 ARG 340 1HD ARG 340 -10.886 -3.728 -14.599 691 HE ARG 340 HE ARG 340 -11.164 -5.068 -16.633 692 HH11 ARG 340 1HH1 ARG 340 -13.103 -5.992 -13.850 693 HH12 ARG 340 2HH1 ARG 340 -14.311 -6.776 -14.812 694 HH21 ARG 340 1HH2 ARG 340 -12.759 -6.096 -17.866 695 HH22 ARG 340 2HH2 ARG 340 -14.116 -6.834 -17.082 696 H TYR 341 H TYR 341 -4.917 -6.454 -14.895 697 HA TYR 341 HA TYR 341 -5.775 -8.523 -16.791 698 HB2 TYR 341 2HB TYR 341 -3.867 -6.419 -17.403 699 HB3 TYR 341 1HB TYR 341 -3.135 -8.013 -17.550 700 HD1 TYR 341 2HD TYR 341 -4.017 -9.641 -19.179 701 HD2 TYR 341 1HD TYR 341 -5.550 -5.677 -18.946 702 HE1 TYR 341 2HE TYR 341 -5.056 -9.918 -21.390 703 HE2 TYR 341 1HE TYR 341 -6.593 -5.945 -21.157 704 HH TYR 341 HH TYR 341 -6.720 -7.242 -22.990 Start of MODEL 4 1 HA SER 5 HA SER 5 27.066 -21.820 22.991 2 HB2 SER 5 2HB SER 5 26.077 -22.640 25.172 3 HB3 SER 5 1HB SER 5 25.849 -20.923 24.848 4 HG SER 5 HG SER 5 23.756 -21.874 23.830 5 H ARG 6 H ARG 6 23.974 -23.456 22.409 6 HA ARG 6 HA ARG 6 25.463 -25.945 21.922 7 HB2 ARG 6 2HB ARG 6 23.412 -27.181 22.769 8 HB3 ARG 6 1HB ARG 6 24.381 -26.364 23.981 9 HG2 ARG 6 2HG ARG 6 22.722 -24.477 23.900 10 HG3 ARG 6 1HG ARG 6 21.717 -25.498 22.872 11 HD2 ARG 6 2HD ARG 6 22.699 -26.441 25.550 12 HD3 ARG 6 1HD ARG 6 21.234 -25.474 25.395 13 HE ARG 6 HE ARG 6 20.766 -27.445 23.647 14 HH11 ARG 6 1HH1 ARG 6 21.876 -27.579 26.977 15 HH12 ARG 6 2HH1 ARG 6 21.160 -29.129 27.274 16 HH21 ARG 6 1HH2 ARG 6 19.838 -29.472 24.058 17 HH22 ARG 6 2HH2 ARG 6 20.008 -30.198 25.622 18 H LEU 7 H LEU 7 24.258 -23.691 20.237 19 HA LEU 7 HA LEU 7 23.439 -23.418 18.151 20 HB2 LEU 7 2HB LEU 7 23.524 -26.430 18.090 21 HB3 LEU 7 1HB LEU 7 22.989 -25.471 16.724 22 HG LEU 7 HG LEU 7 25.405 -24.320 17.282 23 HD11 LEU 7 1HD1 LEU 7 25.775 -26.146 18.976 24 HD12 LEU 7 2HD1 LEU 7 27.020 -25.990 17.736 25 HD13 LEU 7 3HD1 LEU 7 25.822 -27.278 17.624 26 HD21 LEU 7 3HD2 LEU 7 24.832 -26.643 15.447 27 HD22 LEU 7 1HD2 LEU 7 26.215 -25.556 15.324 28 HD23 LEU 7 2HD2 LEU 7 24.583 -24.936 15.081 29 H SER 8 H SER 8 21.622 -26.173 19.556 30 HA SER 8 HA SER 8 19.417 -26.627 19.789 31 HB2 SER 8 2HB SER 8 19.454 -23.656 20.252 32 HB3 SER 8 1HB SER 8 17.933 -24.548 20.286 33 HG SER 8 HG SER 8 18.932 -24.377 22.358 34 H ARG 9 H ARG 9 18.427 -27.493 18.114 35 HA ARG 9 HA ARG 9 17.327 -25.720 16.039 36 HB2 ARG 9 2HB ARG 9 18.860 -28.286 15.647 37 HB3 ARG 9 1HB ARG 9 17.760 -27.670 14.423 38 HG2 ARG 9 2HG ARG 9 19.766 -25.759 15.442 39 HG3 ARG 9 1HG ARG 9 20.382 -27.103 14.477 40 HD2 ARG 9 2HD ARG 9 19.236 -26.434 12.582 41 HD3 ARG 9 1HD ARG 9 18.030 -25.537 13.503 42 HE ARG 9 HE ARG 9 20.172 -24.078 14.009 43 HH11 ARG 9 1HH1 ARG 9 19.146 -25.426 10.932 44 HH12 ARG 9 2HH1 ARG 9 19.879 -24.162 10.003 45 HH21 ARG 9 1HH2 ARG 9 21.124 -22.435 12.773 46 HH22 ARG 9 2HH2 ARG 9 20.999 -22.471 11.046 47 H SER 10 H SER 10 15.279 -26.129 15.424 48 HA SER 10 HA SER 10 13.943 -28.474 16.609 49 HB2 SER 10 2HB SER 10 12.962 -25.647 16.230 50 HB3 SER 10 1HB SER 10 11.852 -26.991 16.494 51 HG SER 10 HG SER 10 14.010 -26.706 18.243 52 H GLY 11 H GLY 11 13.984 -26.253 13.836 53 HA2 GLY 11 2HA GLY 11 13.967 -27.293 11.608 54 HA3 GLY 11 1HA GLY 11 12.733 -28.385 12.215 55 H ALA 12 H ALA 12 13.382 -24.943 11.632 56 HA ALA 12 HA ALA 12 10.555 -24.615 10.869 57 HB1 ALA 12 3HB ALA 12 10.457 -22.473 11.878 58 HB2 ALA 12 1HB ALA 12 12.197 -22.454 12.172 59 HB3 ALA 12 2HB ALA 12 11.161 -23.556 13.080 60 H SER 13 H SER 13 10.357 -24.159 8.800 61 HA SER 13 HA SER 13 12.279 -22.360 7.504 62 HB2 SER 13 2HB SER 13 11.383 -25.041 6.421 63 HB3 SER 13 1HB SER 13 12.215 -23.819 5.459 64 HG SER 13 HG SER 13 13.781 -25.160 6.227 65 H SER 14 H SER 14 9.124 -23.953 7.391 66 HA SER 14 HA SER 14 8.123 -21.966 5.488 67 HB2 SER 14 2HB SER 14 6.060 -23.443 5.505 68 HB3 SER 14 1HB SER 14 7.529 -24.202 4.891 69 HG SER 14 HG SER 14 7.299 -25.636 6.394 70 H LEU 15 H LEU 15 6.070 -20.911 5.872 71 HA LEU 15 HA LEU 15 4.551 -19.674 7.003 72 HB2 LEU 15 2HB LEU 15 4.439 -21.968 8.379 73 HB3 LEU 15 1HB LEU 15 5.025 -20.916 9.653 74 HG LEU 15 HG LEU 15 2.960 -19.435 8.677 75 HD11 LEU 15 1HD1 LEU 15 2.075 -22.312 8.522 76 HD12 LEU 15 2HD1 LEU 15 2.320 -21.250 7.135 77 HD13 LEU 15 3HD1 LEU 15 1.062 -20.882 8.317 78 HD21 LEU 15 3HD2 LEU 15 3.237 -19.740 10.989 79 HD22 LEU 15 1HD2 LEU 15 3.069 -21.491 10.863 80 HD23 LEU 15 2HD2 LEU 15 1.666 -20.450 10.616 81 H TRP 16 H TRP 16 7.792 -19.844 8.035 82 HA TRP 16 HA TRP 16 7.554 -17.170 9.237 83 HB2 TRP 16 2HB TRP 16 8.873 -19.598 10.358 84 HB3 TRP 16 1HB TRP 16 9.652 -18.042 10.624 85 HD1 TRP 16 HD TRP 16 6.940 -20.223 11.940 86 HE1 TRP 16 1HE TRP 16 5.636 -19.010 13.795 87 HE3 TRP 16 3HE TRP 16 8.763 -15.482 11.266 88 HZ2 TRP 16 2HZ TRP 16 5.406 -16.400 14.837 89 HZ3 TRP 16 3HZ TRP 16 7.945 -13.689 12.738 90 HH2 TRP 16 HH TRP 16 6.301 -14.140 14.485 91 H ASP 17 H ASP 17 8.835 -15.703 8.353 92 HA ASP 17 HA ASP 17 11.346 -16.485 7.079 93 HB2 ASP 17 2HB ASP 17 10.770 -14.949 5.111 94 HB3 ASP 17 1HB ASP 17 9.977 -16.518 5.149 95 HA PRO 18 HA PRO 18 12.655 -12.769 9.193 96 HB2 PRO 18 2HB PRO 18 15.097 -12.430 8.051 97 HB3 PRO 18 1HB PRO 18 14.767 -13.664 9.269 98 HG2 PRO 18 2HG PRO 18 14.957 -13.934 6.296 99 HG3 PRO 18 1HG PRO 18 15.561 -15.019 7.562 100 HD2 PRO 18 2HD PRO 18 13.260 -15.478 6.172 101 HD3 PRO 18 1HD PRO 18 13.521 -16.040 7.834 102 H ALA 19 H ALA 19 12.258 -10.670 8.890 103 HA ALA 19 HA ALA 19 12.066 -9.652 6.134 104 HB1 ALA 19 3HB ALA 19 10.523 -7.973 7.024 105 HB2 ALA 19 1HB ALA 19 10.718 -8.657 8.638 106 HB3 ALA 19 2HB ALA 19 9.971 -9.613 7.360 107 H SER 20 H SER 20 13.768 -9.269 9.106 108 HA SER 20 HA SER 20 14.989 -6.781 8.109 109 HB2 SER 20 2HB SER 20 14.678 -7.697 10.981 110 HB3 SER 20 1HB SER 20 15.507 -6.229 10.467 111 HG SER 20 HG SER 20 12.822 -6.742 9.758 112 HA PRO 21 HA PRO 21 18.451 -9.790 8.092 113 HB2 PRO 21 2HB PRO 21 19.582 -9.033 5.764 114 HB3 PRO 21 1HB PRO 21 18.178 -10.102 5.831 115 HG2 PRO 21 2HG PRO 21 18.334 -7.219 5.117 116 HG3 PRO 21 1HG PRO 21 17.238 -8.471 4.512 117 HD2 PRO 21 2HD PRO 21 16.640 -6.542 6.466 118 HD3 PRO 21 1HD PRO 21 15.688 -7.992 6.102 119 H ALA 22 H ALA 22 18.743 -6.352 7.177 120 HA ALA 22 HA ALA 22 21.104 -6.132 8.918 121 HB1 ALA 22 3HB ALA 22 22.135 -6.173 6.823 122 HB2 ALA 22 1HB ALA 22 21.981 -4.452 7.179 123 HB3 ALA 22 2HB ALA 22 20.852 -5.228 6.068 124 HA PRO 23 HA PRO 23 18.979 -2.531 10.471 125 HB2 PRO 23 2HB PRO 23 20.996 -1.137 11.601 126 HB3 PRO 23 1HB PRO 23 20.411 -2.663 12.271 127 HG2 PRO 23 2HG PRO 23 22.832 -2.130 10.594 128 HG3 PRO 23 1HG PRO 23 22.655 -3.193 12.002 129 HD2 PRO 23 2HD PRO 23 22.625 -4.077 9.405 130 HD3 PRO 23 1HD PRO 23 21.823 -4.917 10.746 131 H THR 24 H THR 24 20.719 -2.372 7.714 132 HA THR 24 HA THR 24 20.879 0.531 7.477 133 HB THR 24 HB THR 24 21.696 -0.075 5.106 134 HG1 THR 24 1HG THR 24 21.154 -2.540 6.122 135 HG21 THR 24 1HG2 THR 24 23.191 -0.735 7.631 136 HG22 THR 24 2HG2 THR 24 23.292 0.723 6.643 137 HG23 THR 24 3HG2 THR 24 23.958 -0.797 6.044 138 H SER 25 H SER 25 19.845 1.714 5.831 139 HA SER 25 HA SER 25 17.266 0.581 4.998 140 HB2 SER 25 2HB SER 25 18.209 3.336 5.670 141 HB3 SER 25 1HB SER 25 16.888 3.165 4.513 142 HG SER 25 HG SER 25 15.869 3.216 6.421 143 H GLY 26 H GLY 26 16.416 1.235 2.870 144 HA2 GLY 26 2HA GLY 26 18.485 0.975 0.835 145 HA3 GLY 26 1HA GLY 26 16.753 0.819 0.587 146 HA PRO 27 HA PRO 27 18.188 5.426 0.040 147 HB2 PRO 27 2HB PRO 27 20.267 5.643 -1.666 148 HB3 PRO 27 1HB PRO 27 20.487 5.467 0.077 149 HG2 PRO 27 2HG PRO 27 20.762 3.427 -2.086 150 HG3 PRO 27 1HG PRO 27 21.740 3.652 -0.626 151 HD2 PRO 27 2HD PRO 27 19.747 1.762 -0.902 152 HD3 PRO 27 1HD PRO 27 20.323 2.397 0.650 153 H ARG 28 H ARG 28 17.367 2.917 -1.972 154 HA ARG 28 HA ARG 28 16.977 4.515 -4.383 155 HB2 ARG 28 2HB ARG 28 16.977 1.631 -3.718 156 HB3 ARG 28 1HB ARG 28 15.868 2.127 -4.990 157 HG2 ARG 28 2HG ARG 28 17.555 2.729 -6.423 158 HG3 ARG 28 1HG ARG 28 18.691 3.064 -5.116 159 HD2 ARG 28 2HD ARG 28 19.484 1.105 -6.148 160 HD3 ARG 28 1HD ARG 28 18.694 0.562 -4.671 161 HE ARG 28 HE ARG 28 16.820 0.476 -6.745 162 HH11 ARG 28 1HH1 ARG 28 19.779 -1.179 -5.829 163 HH12 ARG 28 2HH1 ARG 28 19.335 -2.654 -6.622 164 HH21 ARG 28 1HH2 ARG 28 16.260 -1.464 -7.774 165 HH22 ARG 28 2HH2 ARG 28 17.344 -2.813 -7.723 166 HA PRO 29 HA PRO 29 12.743 5.441 -3.267 167 HB2 PRO 29 2HB PRO 29 11.804 6.269 -5.676 168 HB3 PRO 29 1HB PRO 29 12.883 7.250 -4.678 169 HG2 PRO 29 2HG PRO 29 13.519 5.554 -7.061 170 HG3 PRO 29 1HG PRO 29 14.134 7.162 -6.633 171 HD2 PRO 29 2HD PRO 29 15.541 4.865 -6.214 172 HD3 PRO 29 1HD PRO 29 15.719 6.311 -5.203 173 H ARG 30 H ARG 30 11.113 4.105 -2.917 174 HA ARG 30 HA ARG 30 10.067 2.408 -5.052 175 HB2 ARG 30 2HB ARG 30 11.794 1.324 -3.196 176 HB3 ARG 30 1HB ARG 30 10.218 0.971 -2.502 177 HG2 ARG 30 2HG ARG 30 9.539 -0.159 -4.530 178 HG3 ARG 30 1HG ARG 30 11.070 0.260 -5.301 179 HD2 ARG 30 2HD ARG 30 11.043 -1.267 -2.728 180 HD3 ARG 30 1HD ARG 30 10.762 -2.100 -4.256 181 HE ARG 30 HE ARG 30 12.963 -1.504 -4.943 182 HH11 ARG 30 1HH1 ARG 30 12.311 -0.700 -1.586 183 HH12 ARG 30 2HH1 ARG 30 13.987 -0.588 -1.168 184 HH21 ARG 30 1HH2 ARG 30 15.152 -1.355 -4.371 185 HH22 ARG 30 2HH2 ARG 30 15.594 -0.960 -2.743 186 H LEU 31 H LEU 31 9.744 3.702 -1.789 187 HA LEU 31 HA LEU 31 6.841 3.910 -2.142 188 HB2 LEU 31 2HB LEU 31 8.250 2.322 -0.052 189 HB3 LEU 31 1HB LEU 31 6.865 3.257 0.461 190 HG LEU 31 HG LEU 31 5.944 1.167 0.060 191 HD11 LEU 31 1HD1 LEU 31 4.924 3.073 -1.348 192 HD12 LEU 31 2HD1 LEU 31 4.409 1.409 -1.625 193 HD13 LEU 31 3HD1 LEU 31 5.561 2.170 -2.720 194 HD21 LEU 31 3HD2 LEU 31 7.816 0.953 -2.270 195 HD22 LEU 31 1HD2 LEU 31 6.447 -0.140 -2.055 196 HD23 LEU 31 2HD2 LEU 31 7.715 -0.063 -0.832 197 H TRP 32 H TRP 32 6.310 5.947 -1.845 198 HA TRP 32 HA TRP 32 7.409 7.477 0.375 199 HB2 TRP 32 2HB TRP 32 8.093 9.388 -1.004 200 HB3 TRP 32 1HB TRP 32 8.998 7.954 -1.457 201 HD1 TRP 32 HD TRP 32 7.728 6.641 -3.739 202 HE1 TRP 32 1HE TRP 32 6.999 7.801 -5.913 203 HE3 TRP 32 3HE TRP 32 7.423 11.466 -2.046 204 HZ2 TRP 32 2HZ TRP 32 6.388 10.403 -6.806 205 HZ3 TRP 32 3HZ TRP 32 6.762 13.227 -3.631 206 HH2 TRP 32 HH TRP 32 6.256 12.705 -5.961 207 H GLU 33 H GLU 33 6.239 9.548 0.716 208 HA GLU 33 HA GLU 33 3.443 9.187 0.608 209 HB2 GLU 33 2HB GLU 33 5.222 11.476 1.374 210 HB3 GLU 33 1HB GLU 33 3.482 11.708 1.283 211 HG2 GLU 33 2HG GLU 33 3.261 9.753 2.861 212 HG3 GLU 33 1HG GLU 33 5.007 9.849 3.082 213 H GLY 34 H GLY 34 2.145 9.372 -1.066 214 HA2 GLY 34 2HA GLY 34 1.014 10.602 -2.736 215 HA3 GLY 34 1HA GLY 34 2.436 11.612 -2.933 216 H GLN 35 H GLN 35 2.584 8.119 -2.812 217 HA GLN 35 HA GLN 35 3.514 8.096 -5.598 218 HB2 GLN 35 2HB GLN 35 5.230 7.181 -4.318 219 HB3 GLN 35 1HB GLN 35 4.125 6.470 -3.153 220 HG2 GLN 35 2HG GLN 35 4.508 4.499 -4.124 221 HG3 GLN 35 1HG GLN 35 3.636 5.098 -5.539 222 HE21 GLN 35 1HE2 GLN 35 6.044 3.322 -5.021 223 HE22 GLN 35 2HE2 GLN 35 7.242 3.912 -6.112 224 H ASP 36 H ASP 36 2.124 7.382 -7.091 225 HA ASP 36 HA ASP 36 -0.330 6.086 -6.386 226 HB2 ASP 36 2HB ASP 36 0.959 6.641 -9.057 227 HB3 ASP 36 1HB ASP 36 -0.573 5.801 -8.907 228 H VAL 37 H VAL 37 -0.385 4.122 -5.697 229 HA VAL 37 HA VAL 37 1.474 2.115 -6.774 230 HB VAL 37 HB VAL 37 1.073 0.895 -4.625 231 HG11 VAL 37 1HG1 VAL 37 2.280 3.641 -4.380 232 HG12 VAL 37 2HG1 VAL 37 3.093 2.191 -4.967 233 HG13 VAL 37 3HG1 VAL 37 2.573 2.290 -3.286 234 HG21 VAL 37 3HG2 VAL 37 -0.055 1.801 -2.797 235 HG22 VAL 37 1HG2 VAL 37 -1.089 2.252 -4.151 236 HG23 VAL 37 2HG2 VAL 37 0.003 3.441 -3.442 237 H LEU 38 H LEU 38 0.758 -0.086 -6.751 238 HA LEU 38 HA LEU 38 -2.126 -0.392 -7.202 239 HB2 LEU 38 2HB LEU 38 0.183 -1.788 -8.539 240 HB3 LEU 38 1HB LEU 38 -1.487 -2.285 -8.705 241 HG LEU 38 HG LEU 38 -0.500 0.449 -9.519 242 HD11 LEU 38 1HD1 LEU 38 0.339 -0.360 -11.405 243 HD12 LEU 38 2HD1 LEU 38 -1.166 -1.209 -11.747 244 HD13 LEU 38 3HD1 LEU 38 0.090 -1.993 -10.795 245 HD21 LEU 38 3HD2 LEU 38 -2.747 -0.512 -10.967 246 HD22 LEU 38 1HD2 LEU 38 -2.628 0.887 -9.904 247 HD23 LEU 38 2HD2 LEU 38 -3.063 -0.683 -9.240 248 H ALA 39 H ALA 39 -2.822 -1.106 -5.372 249 HA ALA 39 HA ALA 39 -1.359 -3.071 -3.801 250 HB1 ALA 39 3HB ALA 39 -2.682 -2.406 -2.036 251 HB2 ALA 39 1HB ALA 39 -4.062 -2.033 -3.059 252 HB3 ALA 39 2HB ALA 39 -2.685 -0.934 -3.003 253 H ARG 40 H ARG 40 -1.554 -5.088 -4.521 254 HA ARG 40 HA ARG 40 -3.706 -6.118 -6.041 255 HB2 ARG 40 2HB ARG 40 -1.140 -6.915 -5.411 256 HB3 ARG 40 1HB ARG 40 -2.125 -8.076 -4.550 257 HG2 ARG 40 2HG ARG 40 -2.646 -7.524 -7.442 258 HG3 ARG 40 1HG ARG 40 -1.347 -8.609 -6.956 259 HD2 ARG 40 2HD ARG 40 -2.990 -9.948 -5.686 260 HD3 ARG 40 1HD ARG 40 -4.270 -8.886 -6.272 261 HE ARG 40 HE ARG 40 -3.767 -9.682 -8.519 262 HH11 ARG 40 1HH1 ARG 40 -2.513 -11.632 -5.878 263 HH12 ARG 40 2HH1 ARG 40 -2.393 -13.064 -6.844 264 HH21 ARG 40 1HH2 ARG 40 -3.598 -11.567 -9.761 265 HH22 ARG 40 2HH2 ARG 40 -3.005 -13.026 -9.040 266 H TRP 41 H TRP 41 -5.600 -6.992 -5.447 267 HA TRP 41 HA TRP 41 -6.213 -7.206 -2.612 268 HB2 TRP 41 2HB TRP 41 -7.696 -5.940 -4.170 269 HB3 TRP 41 1HB TRP 41 -8.115 -7.459 -4.950 270 HD1 TRP 41 HD TRP 41 -7.937 -6.903 -1.095 271 HE1 TRP 41 1HE TRP 41 -10.275 -7.354 -0.121 272 HE3 TRP 41 3HE TRP 41 -10.497 -7.635 -5.444 273 HZ2 TRP 41 2HZ TRP 41 -12.868 -7.938 -1.071 274 HZ3 TRP 41 3HZ TRP 41 -12.911 -8.132 -5.335 275 HH2 TRP 41 HH TRP 41 -14.069 -8.280 -3.189 276 H THR 42 H THR 42 -7.430 -9.036 -1.773 277 HA THR 42 HA THR 42 -6.084 -11.482 -2.247 278 HB THR 42 HB THR 42 -7.872 -12.413 -0.654 279 HG1 THR 42 1HG THR 42 -8.435 -9.902 0.264 280 HG21 THR 42 1HG2 THR 42 -5.641 -11.822 0.094 281 HG22 THR 42 2HG2 THR 42 -6.828 -11.292 1.286 282 HG23 THR 42 3HG2 THR 42 -6.096 -10.120 0.189 283 H ASP 43 H ASP 43 -8.730 -10.198 -3.929 284 HA ASP 43 HA ASP 43 -9.903 -12.806 -4.531 285 HB2 ASP 43 2HB ASP 43 -10.714 -9.973 -5.101 286 HB3 ASP 43 1HB ASP 43 -11.439 -11.308 -5.999 287 H GLY 44 H GLY 44 -7.383 -10.975 -5.688 288 HA2 GLY 44 2HA GLY 44 -6.024 -11.837 -7.478 289 HA3 GLY 44 1HA GLY 44 -7.494 -12.343 -8.294 290 H LEU 45 H LEU 45 -8.446 -9.482 -7.294 291 HA LEU 45 HA LEU 45 -7.718 -8.157 -9.783 292 HB2 LEU 45 2HB LEU 45 -9.776 -7.600 -7.662 293 HB3 LEU 45 1HB LEU 45 -9.431 -6.458 -8.953 294 HG LEU 45 HG LEU 45 -9.965 -9.162 -9.926 295 HD11 LEU 45 1HD1 LEU 45 -12.424 -8.951 -9.533 296 HD12 LEU 45 2HD1 LEU 45 -12.065 -7.685 -8.359 297 HD13 LEU 45 3HD1 LEU 45 -11.475 -9.326 -8.096 298 HD21 LEU 45 3HD2 LEU 45 -11.237 -6.497 -10.523 299 HD22 LEU 45 1HD2 LEU 45 -11.346 -7.963 -11.498 300 HD23 LEU 45 2HD2 LEU 45 -9.798 -7.135 -11.320 301 H LEU 46 H LEU 46 -6.877 -6.064 -9.894 302 HA LEU 46 HA LEU 46 -5.068 -5.372 -7.725 303 HB2 LEU 46 2HB LEU 46 -4.438 -5.492 -10.218 304 HB3 LEU 46 1HB LEU 46 -5.364 -4.014 -10.401 305 HG LEU 46 HG LEU 46 -3.800 -2.815 -8.975 306 HD11 LEU 46 1HD1 LEU 46 -2.934 -5.464 -8.228 307 HD12 LEU 46 2HD1 LEU 46 -2.588 -3.914 -7.464 308 HD13 LEU 46 3HD1 LEU 46 -1.580 -4.491 -8.792 309 HD21 LEU 46 3HD2 LEU 46 -3.308 -2.756 -11.267 310 HD22 LEU 46 1HD2 LEU 46 -2.689 -4.404 -11.258 311 HD23 LEU 46 2HD2 LEU 46 -1.781 -3.121 -10.477 312 H TYR 47 H TYR 47 -4.825 -3.124 -7.043 313 HA TYR 47 HA TYR 47 -7.274 -1.495 -7.176 314 HB2 TYR 47 2HB TYR 47 -5.790 -2.414 -4.711 315 HB3 TYR 47 1HB TYR 47 -6.718 -0.925 -4.701 316 HD1 TYR 47 1HD TYR 47 -8.601 -3.091 -6.726 317 HD2 TYR 47 2HD TYR 47 -7.486 -2.501 -2.666 318 HE1 TYR 47 1HE TYR 47 -10.611 -4.291 -6.011 319 HE2 TYR 47 2HE TYR 47 -9.493 -3.712 -1.941 320 HH TYR 47 HH TYR 47 -12.017 -4.107 -3.391 321 H LEU 48 H LEU 48 -6.871 0.668 -7.452 322 HA LEU 48 HA LEU 48 -4.058 1.481 -7.559 323 HB2 LEU 48 2HB LEU 48 -5.433 1.928 -9.551 324 HB3 LEU 48 1HB LEU 48 -6.525 2.902 -8.584 325 HG LEU 48 HG LEU 48 -4.508 4.422 -8.120 326 HD11 LEU 48 1HD1 LEU 48 -2.737 4.407 -9.800 327 HD12 LEU 48 2HD1 LEU 48 -3.407 2.935 -10.502 328 HD13 LEU 48 3HD1 LEU 48 -2.747 2.911 -8.866 329 HD21 LEU 48 3HD2 LEU 48 -4.876 5.685 -10.122 330 HD22 LEU 48 1HD2 LEU 48 -6.400 4.947 -9.630 331 HD23 LEU 48 2HD2 LEU 48 -5.474 4.256 -10.963 332 H GLY 49 H GLY 49 -3.207 3.120 -6.371 333 HA2 GLY 49 2HA GLY 49 -4.844 4.762 -4.656 334 HA3 GLY 49 1HA GLY 49 -3.954 3.530 -3.791 335 H THR 50 H THR 50 -3.417 5.905 -2.969 336 HA THR 50 HA THR 50 -0.763 6.522 -4.080 337 HB THR 50 HB THR 50 -1.879 8.833 -2.747 338 HG1 THR 50 1HG THR 50 -3.809 8.845 -3.608 339 HG21 THR 50 1HG2 THR 50 -1.020 8.470 -5.620 340 HG22 THR 50 2HG2 THR 50 0.099 8.717 -4.279 341 HG23 THR 50 3HG2 THR 50 -1.064 9.974 -4.699 342 H ILE 51 H ILE 51 0.831 6.720 -2.617 343 HA ILE 51 HA ILE 51 0.434 5.534 -0.080 344 HB ILE 51 HB ILE 51 2.882 6.904 -1.196 345 HG12 ILE 51 2HG1 ILE 51 2.043 4.972 -2.508 346 HG13 ILE 51 1HG1 ILE 51 3.627 4.675 -1.815 347 HG21 ILE 51 1HG2 ILE 51 2.984 4.860 1.000 348 HG22 ILE 51 2HG2 ILE 51 2.749 6.566 1.378 349 HG23 ILE 51 3HG2 ILE 51 4.200 6.045 0.524 350 HD11 ILE 51 3HD1 ILE 51 1.188 3.201 -1.506 351 HD12 ILE 51 1HD1 ILE 51 1.799 3.709 0.064 352 HD13 ILE 51 2HD1 ILE 51 2.818 2.768 -1.016 353 H LYS 52 H LYS 52 -0.336 6.359 1.646 354 HA LYS 52 HA LYS 52 -0.183 9.230 2.171 355 HB2 LYS 52 2HB LYS 52 -1.964 7.043 2.951 356 HB3 LYS 52 1HB LYS 52 -1.516 8.067 4.307 357 HG2 LYS 52 2HG LYS 52 -2.423 9.397 1.809 358 HG3 LYS 52 1HG LYS 52 -3.628 8.578 2.803 359 HD2 LYS 52 2HD LYS 52 -3.121 9.935 4.689 360 HD3 LYS 52 1HD LYS 52 -1.685 10.598 3.906 361 HE2 LYS 52 2HE LYS 52 -4.395 10.959 2.684 362 HE3 LYS 52 1HE LYS 52 -3.852 12.018 3.986 363 HZ1 LYS 52 3HZ LYS 52 -2.486 13.100 2.619 364 HZ2 LYS 52 1HZ LYS 52 -3.349 12.384 1.353 365 HZ3 LYS 52 2HZ LYS 52 -1.908 11.685 1.896 366 H LYS 53 H LYS 53 1.047 6.163 3.328 367 HA LYS 53 HA LYS 53 3.002 7.550 4.986 368 HB2 LYS 53 2HB LYS 53 1.014 5.565 6.056 369 HB3 LYS 53 1HB LYS 53 2.581 5.771 6.815 370 HG2 LYS 53 2HG LYS 53 1.822 7.527 7.949 371 HG3 LYS 53 1HG LYS 53 1.405 8.345 6.444 372 HD2 LYS 53 2HD LYS 53 -0.599 8.230 7.691 373 HD3 LYS 53 1HD LYS 53 -0.738 6.981 6.455 374 HE2 LYS 53 2HE LYS 53 -1.461 5.878 8.365 375 HE3 LYS 53 1HE LYS 53 0.242 5.417 8.268 376 HZ1 LYS 53 3HZ LYS 53 -1.006 7.418 10.066 377 HZ2 LYS 53 1HZ LYS 53 0.666 7.334 9.822 378 HZ3 LYS 53 2HZ LYS 53 -0.157 6.019 10.494 379 H VAL 54 H VAL 54 4.659 5.963 5.817 380 HA VAL 54 HA VAL 54 5.009 3.631 4.087 381 HB VAL 54 HB VAL 54 7.024 5.892 4.271 382 HG11 VAL 54 1HG1 VAL 54 7.632 3.149 4.135 383 HG12 VAL 54 2HG1 VAL 54 8.727 4.503 3.856 384 HG13 VAL 54 3HG1 VAL 54 7.857 3.779 2.502 385 HG21 VAL 54 3HG2 VAL 54 5.513 6.359 2.532 386 HG22 VAL 54 1HG2 VAL 54 5.454 4.673 2.014 387 HG23 VAL 54 2HG2 VAL 54 6.907 5.633 1.732 388 H ASP 55 H ASP 55 5.963 1.962 5.033 389 HA ASP 55 HA ASP 55 7.214 2.315 7.672 390 HB2 ASP 55 2HB ASP 55 5.063 0.444 6.785 391 HB3 ASP 55 1HB ASP 55 6.279 -0.197 7.892 392 H SER 56 H SER 56 9.243 2.416 6.620 393 HA SER 56 HA SER 56 10.196 0.316 4.919 394 HB2 SER 56 2HB SER 56 10.916 2.784 4.943 395 HB3 SER 56 1HB SER 56 11.940 2.339 6.307 396 HG SER 56 HG SER 56 13.197 1.191 5.016 397 H ALA 57 H ALA 57 9.603 0.177 8.120 398 HA ALA 57 HA ALA 57 12.038 -1.193 8.941 399 HB1 ALA 57 3HB ALA 57 9.506 -0.699 10.505 400 HB2 ALA 57 1HB ALA 57 10.919 0.357 10.492 401 HB3 ALA 57 2HB ALA 57 11.044 -1.275 11.147 402 H ARG 58 H ARG 58 8.596 -1.945 8.458 403 HA ARG 58 HA ARG 58 9.233 -4.815 8.620 404 HB2 ARG 58 2HB ARG 58 6.742 -3.243 9.192 405 HB3 ARG 58 1HB ARG 58 6.631 -4.951 8.790 406 HG2 ARG 58 2HG ARG 58 8.592 -4.256 10.877 407 HG3 ARG 58 1HG ARG 58 6.895 -4.017 11.300 408 HD2 ARG 58 2HD ARG 58 6.409 -6.329 10.696 409 HD3 ARG 58 1HD ARG 58 8.090 -6.571 10.227 410 HE ARG 58 HE ARG 58 7.347 -5.876 12.993 411 HH11 ARG 58 1HH1 ARG 58 9.024 -7.991 10.741 412 HH12 ARG 58 2HH1 ARG 58 9.797 -8.901 11.996 413 HH21 ARG 58 1HH2 ARG 58 8.372 -7.082 14.615 414 HH22 ARG 58 2HH2 ARG 58 9.428 -8.385 14.186 415 H GLU 59 H GLU 59 9.191 -2.648 6.299 416 HA GLU 59 HA GLU 59 8.874 -2.590 4.053 417 HB2 GLU 59 2HB GLU 59 8.690 -5.573 4.480 418 HB3 GLU 59 1HB GLU 59 8.565 -4.853 2.881 419 HG2 GLU 59 2HG GLU 59 10.895 -4.138 4.588 420 HG3 GLU 59 1HG GLU 59 10.861 -5.725 3.814 421 H VAL 60 H VAL 60 6.790 -1.677 5.323 422 HA VAL 60 HA VAL 60 4.484 -2.578 3.735 423 HB VAL 60 HB VAL 60 4.028 -1.584 6.533 424 HG11 VAL 60 1HG1 VAL 60 2.463 -3.106 4.508 425 HG12 VAL 60 2HG1 VAL 60 2.009 -1.688 5.448 426 HG13 VAL 60 3HG1 VAL 60 2.069 -3.274 6.217 427 HG21 VAL 60 3HG2 VAL 60 5.332 -3.355 7.219 428 HG22 VAL 60 1HG2 VAL 60 4.936 -4.330 5.803 429 HG23 VAL 60 2HG2 VAL 60 3.752 -4.130 7.094 430 H CYS 61 H CYS 61 2.775 -0.871 3.579 431 HA CYS 61 HA CYS 61 3.491 1.867 4.217 432 HB2 CYS 61 2HB CYS 61 3.580 0.830 1.407 433 HB3 CYS 61 1HB CYS 61 3.005 2.469 1.710 434 HG CYS 61 HG CYS 61 6.119 1.250 1.853 435 H LEU 62 H LEU 62 1.767 3.243 4.221 436 HA LEU 62 HA LEU 62 -0.858 1.990 3.882 437 HB2 LEU 62 2HB LEU 62 0.113 3.572 5.912 438 HB3 LEU 62 1HB LEU 62 -0.753 4.729 4.926 439 HG LEU 62 HG LEU 62 -2.336 4.107 6.509 440 HD11 LEU 62 1HD1 LEU 62 -4.091 3.349 5.284 441 HD12 LEU 62 2HD1 LEU 62 -3.187 1.990 4.614 442 HD13 LEU 62 3HD1 LEU 62 -2.954 3.611 3.961 443 HD21 LEU 62 3HD2 LEU 62 -1.612 2.393 7.776 444 HD22 LEU 62 1HD2 LEU 62 -1.001 1.482 6.396 445 HD23 LEU 62 2HD2 LEU 62 -2.726 1.475 6.763 446 H VAL 63 H VAL 63 -2.265 2.651 2.367 447 HA VAL 63 HA VAL 63 -1.603 5.026 0.793 448 HB VAL 63 HB VAL 63 -0.932 3.853 -0.981 449 HG11 VAL 63 1HG1 VAL 63 -1.161 1.260 -0.950 450 HG12 VAL 63 2HG1 VAL 63 -1.550 1.525 0.746 451 HG13 VAL 63 3HG1 VAL 63 -0.005 2.075 0.102 452 HG21 VAL 63 3HG2 VAL 63 -3.265 4.015 -1.698 453 HG22 VAL 63 1HG2 VAL 63 -3.575 2.429 -0.991 454 HG23 VAL 63 2HG2 VAL 63 -2.451 2.588 -2.340 455 H GLN 64 H GLN 64 -3.269 6.110 -0.098 456 HA GLN 64 HA GLN 64 -5.946 5.402 0.838 457 HB2 GLN 64 2HB GLN 64 -4.863 7.767 1.051 458 HB3 GLN 64 1HB GLN 64 -5.242 7.933 -0.655 459 HG2 GLN 64 2HG GLN 64 -7.343 8.493 -0.178 460 HG3 GLN 64 1HG GLN 64 -7.565 7.006 0.748 461 HE21 GLN 64 1HE2 GLN 64 -8.193 7.337 2.741 462 HE22 GLN 64 2HE2 GLN 64 -7.789 8.689 3.736 463 H PHE 65 H PHE 65 -7.642 5.012 -0.619 464 HA PHE 65 HA PHE 65 -6.765 4.475 -3.360 465 HB2 PHE 65 2HB PHE 65 -8.861 3.155 -1.639 466 HB3 PHE 65 1HB PHE 65 -8.613 2.776 -3.347 467 HD1 PHE 65 2HD PHE 65 -6.984 2.720 -0.007 468 HD2 PHE 65 1HD PHE 65 -6.859 1.405 -4.031 469 HE1 PHE 65 2HE PHE 65 -5.164 1.161 0.565 470 HE2 PHE 65 1HE PHE 65 -5.043 -0.146 -3.479 471 HZ PHE 65 HZ PHE 65 -4.210 -0.283 -1.184 472 H GLU 66 H GLU 66 -8.422 4.527 -5.054 473 HA GLU 66 HA GLU 66 -9.455 7.053 -5.471 474 HB2 GLU 66 2HB GLU 66 -9.109 4.859 -7.001 475 HB3 GLU 66 1HB GLU 66 -10.864 4.883 -6.869 476 HG2 GLU 66 2HG GLU 66 -10.598 6.162 -8.732 477 HG3 GLU 66 1HG GLU 66 -10.543 7.420 -7.497 478 H ASP 67 H ASP 67 -11.194 4.174 -4.224 479 HA ASP 67 HA ASP 67 -13.654 5.721 -4.056 480 HB2 ASP 67 2HB ASP 67 -13.621 3.356 -4.826 481 HB3 ASP 67 1HB ASP 67 -13.126 2.862 -3.215 482 H ASP 68 H ASP 68 -11.416 6.615 -2.465 483 HA ASP 68 HA ASP 68 -10.842 7.384 -0.419 484 HB2 ASP 68 2HB ASP 68 -13.841 7.388 -0.280 485 HB3 ASP 68 1HB ASP 68 -12.881 7.932 1.093 486 H SER 69 H SER 69 -10.035 4.963 -0.319 487 HA SER 69 HA SER 69 -10.950 3.907 2.276 488 HB2 SER 69 2HB SER 69 -11.373 2.539 0.022 489 HB3 SER 69 1HB SER 69 -9.710 2.010 0.326 490 HG SER 69 HG SER 69 -12.030 1.361 1.628 491 H GLN 70 H GLN 70 -9.453 3.716 3.792 492 HA GLN 70 HA GLN 70 -6.637 4.047 3.048 493 HB2 GLN 70 2HB GLN 70 -8.243 4.706 5.435 494 HB3 GLN 70 1HB GLN 70 -6.668 4.012 5.794 495 HG2 GLN 70 2HG GLN 70 -6.957 6.307 3.888 496 HG3 GLN 70 1HG GLN 70 -6.876 6.559 5.632 497 HE21 GLN 70 1HE2 GLN 70 -5.133 5.878 2.776 498 HE22 GLN 70 2HE2 GLN 70 -3.554 5.795 3.486 499 H PHE 71 H PHE 71 -6.062 2.090 2.330 500 HA PHE 71 HA PHE 71 -6.428 -0.211 4.135 501 HB2 PHE 71 2HB PHE 71 -6.859 0.174 1.250 502 HB3 PHE 71 1HB PHE 71 -5.985 -1.297 1.639 503 HD1 PHE 71 1HD PHE 71 -8.420 -0.259 4.159 504 HD2 PHE 71 2HD PHE 71 -7.922 -2.363 0.491 505 HE1 PHE 71 1HE PHE 71 -10.562 -1.397 4.524 506 HE2 PHE 71 2HE PHE 71 -10.064 -3.510 0.859 507 HZ PHE 71 HZ PHE 71 -11.388 -3.026 2.875 508 H LEU 72 H LEU 72 -4.673 -1.079 4.944 509 HA LEU 72 HA LEU 72 -2.061 -0.143 4.220 510 HB2 LEU 72 2HB LEU 72 -1.451 -2.208 5.835 511 HB3 LEU 72 1HB LEU 72 -1.875 -0.619 6.425 512 HG LEU 72 HG LEU 72 -2.901 -2.468 7.704 513 HD11 LEU 72 1HD1 LEU 72 -5.382 -1.515 7.114 514 HD12 LEU 72 2HD1 LEU 72 -4.330 -0.239 6.502 515 HD13 LEU 72 3HD1 LEU 72 -4.211 -0.747 8.187 516 HD21 LEU 72 3HD2 LEU 72 -3.862 -4.204 6.721 517 HD22 LEU 72 1HD2 LEU 72 -3.576 -3.475 5.141 518 HD23 LEU 72 2HD2 LEU 72 -5.075 -3.143 6.006 519 H VAL 73 H VAL 73 -0.599 -1.035 2.986 520 HA VAL 73 HA VAL 73 -1.043 -3.775 1.984 521 HB VAL 73 HB VAL 73 0.195 -1.892 0.055 522 HG11 VAL 73 1HG1 VAL 73 -0.239 -4.395 -0.232 523 HG12 VAL 73 2HG1 VAL 73 -0.677 -3.325 -1.562 524 HG13 VAL 73 3HG1 VAL 73 -1.925 -3.941 -0.478 525 HG21 VAL 73 3HG2 VAL 73 -1.865 -0.718 1.049 526 HG22 VAL 73 1HG2 VAL 73 -2.803 -1.952 0.211 527 HG23 VAL 73 2HG2 VAL 73 -1.762 -0.862 -0.704 528 H LEU 74 H LEU 74 0.738 -4.949 1.335 529 HA LEU 74 HA LEU 74 3.225 -4.237 2.666 530 HB2 LEU 74 2HB LEU 74 2.444 -6.777 1.213 531 HB3 LEU 74 1HB LEU 74 3.910 -6.547 2.135 532 HG LEU 74 HG LEU 74 2.540 -7.858 3.504 533 HD11 LEU 74 1HD1 LEU 74 2.452 -6.690 5.446 534 HD12 LEU 74 2HD1 LEU 74 1.730 -5.268 4.695 535 HD13 LEU 74 3HD1 LEU 74 3.451 -5.599 4.487 536 HD21 LEU 74 3HD2 LEU 74 0.201 -7.410 4.001 537 HD22 LEU 74 1HD2 LEU 74 0.458 -7.599 2.266 538 HD23 LEU 74 2HD2 LEU 74 0.240 -5.991 2.955 539 H TRP 75 H TRP 75 5.243 -4.161 1.629 540 HA TRP 75 HA TRP 75 5.324 -2.926 -0.893 541 HB2 TRP 75 2HB TRP 75 7.503 -4.221 0.738 542 HB3 TRP 75 1HB TRP 75 7.818 -3.371 -0.761 543 HD1 TRP 75 HD TRP 75 5.232 -1.836 1.593 544 HE1 TRP 75 1HE TRP 75 6.215 0.296 2.631 545 HE3 TRP 75 3HE TRP 75 10.094 -2.284 0.006 546 HZ2 TRP 75 2HZ TRP 75 8.693 1.615 2.777 547 HZ3 TRP 75 3HZ TRP 75 11.700 -0.534 0.653 548 HH2 TRP 75 HH TRP 75 11.010 1.375 2.014 549 H LYS 76 H LYS 76 5.051 -6.240 -0.140 550 HA LYS 76 HA LYS 76 6.216 -7.161 -2.652 551 HB2 LYS 76 2HB LYS 76 5.349 -9.444 -1.792 552 HB3 LYS 76 1HB LYS 76 6.710 -8.699 -0.975 553 HG2 LYS 76 2HG LYS 76 5.151 -7.871 0.767 554 HG3 LYS 76 1HG LYS 76 3.848 -8.752 -0.030 555 HD2 LYS 76 2HD LYS 76 4.802 -10.834 0.471 556 HD3 LYS 76 1HD LYS 76 6.376 -10.122 0.834 557 HE2 LYS 76 2HE LYS 76 3.977 -9.393 2.467 558 HE3 LYS 76 1HE LYS 76 4.836 -10.900 2.781 559 HZ1 LYS 76 3HZ LYS 76 5.516 -8.792 4.054 560 HZ2 LYS 76 1HZ LYS 76 6.309 -8.352 2.625 561 HZ3 LYS 76 2HZ LYS 76 6.736 -9.780 3.424 562 H ASP 77 H ASP 77 3.112 -6.402 -1.321 563 HA ASP 77 HA ASP 77 1.680 -7.619 -3.568 564 HB2 ASP 77 2HB ASP 77 0.973 -6.776 -0.832 565 HB3 ASP 77 1HB ASP 77 -0.253 -6.444 -2.047 566 H ILE 78 H ILE 78 3.313 -4.877 -3.164 567 HA ILE 78 HA ILE 78 1.317 -3.131 -4.424 568 HB ILE 78 HB ILE 78 3.845 -2.458 -2.914 569 HG12 ILE 78 2HG1 ILE 78 1.038 -1.513 -2.349 570 HG13 ILE 78 1HG1 ILE 78 1.606 -3.074 -1.773 571 HG21 ILE 78 1HG2 ILE 78 2.601 -0.054 -3.332 572 HG22 ILE 78 2HG2 ILE 78 2.368 -0.861 -4.885 573 HG23 ILE 78 3HG2 ILE 78 3.995 -0.637 -4.243 574 HD11 ILE 78 3HD1 ILE 78 2.491 -2.108 -0.018 575 HD12 ILE 78 1HD1 ILE 78 1.933 -0.539 -0.597 576 HD13 ILE 78 2HD1 ILE 78 3.527 -1.132 -1.058 577 H SER 79 H SER 79 1.633 -2.210 -6.357 578 HA SER 79 HA SER 79 4.132 -2.711 -7.821 579 HB2 SER 79 2HB SER 79 1.811 -4.073 -8.376 580 HB3 SER 79 1HB SER 79 1.684 -2.694 -9.473 581 HG SER 79 HG SER 79 3.715 -4.658 -9.326 582 HA PRO 80 HA PRO 80 3.604 1.851 -7.914 583 HB2 PRO 80 2HB PRO 80 5.967 1.544 -9.715 584 HB3 PRO 80 1HB PRO 80 5.711 2.670 -8.378 585 HG2 PRO 80 2HG PRO 80 7.286 0.575 -8.039 586 HG3 PRO 80 1HG PRO 80 6.148 1.048 -6.760 587 HD2 PRO 80 2HD PRO 80 5.944 -1.188 -8.746 588 HD3 PRO 80 1HD PRO 80 5.512 -1.164 -7.023 589 H ALA 81 H ALA 81 2.115 2.734 -9.133 590 HA ALA 81 HA ALA 81 1.481 1.831 -11.779 591 HB1 ALA 81 3HB ALA 81 -0.458 3.072 -11.577 592 HB2 ALA 81 1HB ALA 81 0.307 4.296 -10.563 593 HB3 ALA 81 2HB ALA 81 -0.082 2.713 -9.891 594 H ALA 82 H ALA 82 1.454 3.087 -13.689 595 HA ALA 82 HA ALA 82 3.401 5.301 -13.719 596 HB1 ALA 82 3HB ALA 82 3.754 4.644 -16.133 597 HB2 ALA 82 1HB ALA 82 2.827 3.185 -15.780 598 HB3 ALA 82 2HB ALA 82 4.339 3.498 -14.926 599 H LEU 83 H LEU 83 0.388 4.093 -15.157 600 HA LEU 83 HA LEU 83 -0.247 6.843 -16.009 601 HB2 LEU 83 2HB LEU 83 -0.115 4.586 -17.576 602 HB3 LEU 83 1HB LEU 83 -1.826 4.687 -17.210 603 HG LEU 83 HG LEU 83 -1.351 7.248 -17.955 604 HD11 LEU 83 1HD1 LEU 83 1.045 6.412 -18.495 605 HD12 LEU 83 2HD1 LEU 83 0.208 7.452 -19.647 606 HD13 LEU 83 3HD1 LEU 83 0.288 5.712 -19.925 607 HD21 LEU 83 3HD2 LEU 83 -2.125 6.427 -20.265 608 HD22 LEU 83 1HD2 LEU 83 -3.167 6.117 -18.876 609 HD23 LEU 83 2HD2 LEU 83 -2.157 4.826 -19.526 610 HA ALA 331 HA ALA 331 -23.830 -0.332 -5.368 611 HB1 ALA 331 3HB ALA 331 -25.080 1.429 -3.268 612 HB2 ALA 331 1HB ALA 331 -25.996 0.488 -4.445 613 HB3 ALA 331 2HB ALA 331 -24.911 1.767 -4.990 614 H THR 332 H THR 332 -22.114 0.938 -5.832 615 HA THR 332 HA THR 332 -20.094 1.955 -5.668 616 HB THR 332 HB THR 332 -20.352 2.864 -2.866 617 HG1 THR 332 1HG THR 332 -22.037 4.140 -4.725 618 HG21 THR 332 1HG2 THR 332 -19.869 4.283 -5.490 619 HG22 THR 332 2HG2 THR 332 -18.631 3.741 -4.357 620 HG23 THR 332 3HG2 THR 332 -19.753 5.021 -3.891 621 H GLY 333 H GLY 333 -18.256 0.899 -5.542 622 HA2 GLY 333 2HA GLY 333 -16.831 0.185 -3.319 623 HA3 GLY 333 1HA GLY 333 -17.837 -1.217 -3.649 624 H GLY 334 H GLY 334 -15.893 1.072 -5.578 625 HA2 GLY 334 2HA GLY 334 -13.741 -0.200 -6.361 626 HA3 GLY 334 1HA GLY 334 -14.936 -1.172 -7.206 627 H VAL 335 H VAL 335 -13.942 2.216 -6.766 628 HA VAL 335 HA VAL 335 -14.761 2.758 -9.535 629 HB VAL 335 HB VAL 335 -15.770 4.118 -7.648 630 HG11 VAL 335 1HG1 VAL 335 -13.587 6.034 -7.546 631 HG12 VAL 335 2HG1 VAL 335 -13.166 4.486 -6.814 632 HG13 VAL 335 3HG1 VAL 335 -14.577 5.376 -6.242 633 HG21 VAL 335 3HG2 VAL 335 -14.348 5.561 -9.878 634 HG22 VAL 335 1HG2 VAL 335 -15.624 6.264 -8.882 635 HG23 VAL 335 2HG2 VAL 335 -15.973 4.874 -9.910 636 H M3L 336 H M3L 336 -12.073 1.886 -7.923 637 HA M3L 336 HA M3L 336 -10.030 3.638 -8.699 638 HB2 M3L 336 1HB M3L 336 -8.498 1.746 -8.341 639 HB3 M3L 336 2HB M3L 336 -9.862 0.641 -8.327 640 HG2 M3L 336 1HG M3L 336 -10.019 2.851 -6.401 641 HG3 M3L 336 2HG M3L 336 -8.742 1.677 -6.103 642 HD2 M3L 336 1HD M3L 336 -10.250 -0.089 -5.890 643 HD3 M3L 336 2HD M3L 336 -11.542 0.801 -6.692 644 HE2 M3L 336 1HE M3L 336 -12.282 1.548 -4.733 645 HE3 M3L 336 2HE M3L 336 -10.728 2.292 -4.403 646 HM11 M3L 336 1HM1 M3L 336 -9.129 0.611 -2.442 647 HM12 M3L 336 2HM1 M3L 336 -8.950 0.356 -4.138 648 HM13 M3L 336 3HM1 M3L 336 -9.380 -0.965 -3.113 649 HM21 M3L 336 1HM2 M3L 336 -12.749 -0.647 -4.170 650 HM22 M3L 336 2HM2 M3L 336 -11.989 -1.381 -2.805 651 HM23 M3L 336 3HM2 M3L 336 -11.280 -1.538 -4.372 652 HM31 M3L 336 3HM3 M3L 336 -12.543 0.988 -2.130 653 HM32 M3L 336 1HM3 M3L 336 -11.196 2.071 -2.169 654 HM33 M3L 336 2HM3 M3L 336 -11.064 0.554 -1.354 655 H LYS 337 H LYS 337 -8.314 3.304 -10.280 656 HA LYS 337 HA LYS 337 -9.170 1.924 -12.724 657 HB2 LYS 337 2HB LYS 337 -8.071 3.932 -13.976 658 HB3 LYS 337 1HB LYS 337 -9.711 4.088 -13.380 659 HG2 LYS 337 2HG LYS 337 -7.465 5.023 -11.654 660 HG3 LYS 337 1HG LYS 337 -7.932 6.002 -13.038 661 HD2 LYS 337 2HD LYS 337 -10.308 5.244 -11.651 662 HD3 LYS 337 1HD LYS 337 -9.157 5.853 -10.457 663 HE2 LYS 337 2HE LYS 337 -9.599 7.386 -12.989 664 HE3 LYS 337 1HE LYS 337 -10.789 7.487 -11.694 665 HZ1 LYS 337 3HZ LYS 337 -9.219 8.378 -10.227 666 HZ2 LYS 337 1HZ LYS 337 -8.948 9.198 -11.682 667 HZ3 LYS 337 2HZ LYS 337 -7.908 7.953 -11.207 668 HA PRO 338 HA PRO 338 -4.709 0.846 -11.383 669 HB2 PRO 338 2HB PRO 338 -5.839 -1.882 -11.811 670 HB3 PRO 338 1HB PRO 338 -4.789 -1.292 -10.520 671 HG2 PRO 338 2HG PRO 338 -7.306 -1.729 -9.979 672 HG3 PRO 338 1HG PRO 338 -6.537 -0.227 -9.412 673 HD2 PRO 338 2HD PRO 338 -8.275 -0.643 -11.842 674 HD3 PRO 338 1HD PRO 338 -8.433 0.581 -10.561 675 H HIS 339 H HIS 339 -3.764 -1.537 -12.613 676 HA HIS 339 HA HIS 339 -2.828 -0.638 -15.064 677 HB2 HIS 339 2HB HIS 339 -1.653 -2.647 -15.171 678 HB3 HIS 339 1HB HIS 339 -2.006 -2.533 -13.450 679 HD1 HIS 339 1HD HIS 339 -2.270 -4.813 -16.245 680 HD2 HIS 339 2HD HIS 339 -4.291 -4.162 -12.681 681 HE1 HIS 339 1HE HIS 339 -3.560 -6.927 -15.817 682 HE2 HIS 339 2HE HIS 339 -4.873 -6.470 -13.715 683 H ARG 340 H ARG 340 -5.546 -2.809 -14.402 684 HA ARG 340 HA ARG 340 -6.678 -2.247 -17.026 685 HB2 ARG 340 2HB ARG 340 -5.234 -4.546 -16.751 686 HB3 ARG 340 1HB ARG 340 -6.836 -5.104 -16.293 687 HG2 ARG 340 2HG ARG 340 -7.748 -4.485 -18.394 688 HG3 ARG 340 1HG ARG 340 -6.281 -3.612 -18.842 689 HD2 ARG 340 2HD ARG 340 -5.370 -5.472 -19.674 690 HD3 ARG 340 1HD ARG 340 -5.643 -6.330 -18.159 691 HE ARG 340 HE ARG 340 -7.937 -6.066 -19.923 692 HH11 ARG 340 1HH1 ARG 340 -5.315 -8.126 -18.818 693 HH12 ARG 340 2HH1 ARG 340 -6.061 -9.579 -19.394 694 HH21 ARG 340 1HH2 ARG 340 -8.893 -7.981 -20.670 695 HH22 ARG 340 2HH2 ARG 340 -8.085 -9.496 -20.442 696 H TYR 341 H TYR 341 -7.006 -3.833 -13.876 697 HA TYR 341 HA TYR 341 -9.833 -3.023 -13.812 698 HB2 TYR 341 2HB TYR 341 -8.726 -5.753 -13.163 699 HB3 TYR 341 1HB TYR 341 -10.277 -5.201 -12.542 700 HD1 TYR 341 2HD TYR 341 -12.140 -4.715 -14.134 701 HD2 TYR 341 1HD TYR 341 -8.489 -6.490 -15.412 702 HE1 TYR 341 2HE TYR 341 -13.231 -5.454 -16.210 703 HE2 TYR 341 1HE TYR 341 -9.571 -7.232 -17.490 704 HH TYR 341 HH TYR 341 -12.615 -6.090 -18.490 Start of MODEL 5 1 HA SER 5 HA SER 5 -9.457 -27.666 6.473 2 HB2 SER 5 2HB SER 5 -12.179 -28.037 5.691 3 HB3 SER 5 1HB SER 5 -11.930 -26.322 6.018 4 HG SER 5 HG SER 5 -10.132 -26.406 4.592 5 H ARG 6 H ARG 6 -8.945 -25.589 7.071 6 HA ARG 6 HA ARG 6 -10.100 -24.683 9.621 7 HB2 ARG 6 2HB ARG 6 -7.934 -23.340 9.813 8 HB3 ARG 6 1HB ARG 6 -7.814 -25.078 10.013 9 HG2 ARG 6 2HG ARG 6 -6.825 -25.346 7.871 10 HG3 ARG 6 1HG ARG 6 -7.207 -23.684 7.414 11 HD2 ARG 6 2HD ARG 6 -5.664 -22.843 9.088 12 HD3 ARG 6 1HD ARG 6 -5.329 -24.486 9.635 13 HE ARG 6 HE ARG 6 -4.509 -24.790 7.219 14 HH11 ARG 6 1HH1 ARG 6 -4.177 -21.800 9.032 15 HH12 ARG 6 2HH1 ARG 6 -2.762 -21.298 8.167 16 HH21 ARG 6 1HH2 ARG 6 -2.656 -24.114 6.102 17 HH22 ARG 6 2HH2 ARG 6 -1.902 -22.609 6.511 18 H LEU 7 H LEU 7 -11.142 -22.813 9.735 19 HA LEU 7 HA LEU 7 -10.826 -20.857 7.560 20 HB2 LEU 7 2HB LEU 7 -13.044 -22.446 7.822 21 HB3 LEU 7 1HB LEU 7 -13.524 -21.032 8.731 22 HG LEU 7 HG LEU 7 -14.350 -20.920 6.446 23 HD11 LEU 7 1HD1 LEU 7 -12.869 -18.897 7.717 24 HD12 LEU 7 2HD1 LEU 7 -14.164 -18.725 6.532 25 HD13 LEU 7 3HD1 LEU 7 -12.485 -18.811 5.999 26 HD21 LEU 7 3HD2 LEU 7 -11.992 -22.111 5.705 27 HD22 LEU 7 1HD2 LEU 7 -11.797 -20.459 5.120 28 HD23 LEU 7 2HD2 LEU 7 -13.187 -21.417 4.610 29 H SER 8 H SER 8 -11.977 -21.430 10.871 30 HA SER 8 HA SER 8 -11.347 -18.621 11.511 31 HB2 SER 8 2HB SER 8 -13.814 -19.426 11.636 32 HB3 SER 8 1HB SER 8 -13.303 -20.261 13.103 33 HG SER 8 HG SER 8 -13.611 -17.549 12.612 34 H ARG 9 H ARG 9 -10.214 -18.187 13.374 35 HA ARG 9 HA ARG 9 -8.874 -20.493 14.602 36 HB2 ARG 9 2HB ARG 9 -8.055 -17.729 13.949 37 HB3 ARG 9 1HB ARG 9 -7.445 -18.361 15.472 38 HG2 ARG 9 2HG ARG 9 -6.495 -20.283 14.286 39 HG3 ARG 9 1HG ARG 9 -7.090 -19.622 12.761 40 HD2 ARG 9 2HD ARG 9 -5.754 -17.493 13.563 41 HD3 ARG 9 1HD ARG 9 -4.857 -18.689 14.497 42 HE ARG 9 HE ARG 9 -4.557 -19.836 12.248 43 HH11 ARG 9 1HH1 ARG 9 -4.830 -16.345 12.545 44 HH12 ARG 9 2HH1 ARG 9 -3.915 -16.038 11.108 45 HH21 ARG 9 1HH2 ARG 9 -3.361 -19.407 10.372 46 HH22 ARG 9 2HH2 ARG 9 -3.086 -17.769 9.880 47 H SER 10 H SER 10 -9.491 -21.100 16.545 48 HA SER 10 HA SER 10 -10.390 -19.087 18.486 49 HB2 SER 10 2HB SER 10 -12.033 -21.114 17.290 50 HB3 SER 10 1HB SER 10 -11.846 -21.469 19.008 51 HG SER 10 HG SER 10 -12.620 -18.948 17.959 52 H GLY 11 H GLY 11 -9.043 -19.141 20.139 53 HA2 GLY 11 2HA GLY 11 -8.119 -20.121 22.075 54 HA3 GLY 11 1HA GLY 11 -8.303 -21.705 21.337 55 H ALA 12 H ALA 12 -6.664 -18.712 20.309 56 HA ALA 12 HA ALA 12 -4.221 -20.294 19.855 57 HB1 ALA 12 3HB ALA 12 -5.092 -19.358 17.809 58 HB2 ALA 12 1HB ALA 12 -3.591 -18.536 18.236 59 HB3 ALA 12 2HB ALA 12 -5.141 -17.748 18.528 60 H SER 13 H SER 13 -2.238 -19.524 20.541 61 HA SER 13 HA SER 13 -2.356 -17.521 22.680 62 HB2 SER 13 2HB SER 13 -1.007 -20.033 22.377 63 HB3 SER 13 1HB SER 13 0.193 -18.762 22.607 64 HG SER 13 HG SER 13 -0.408 -19.397 24.624 65 H SER 14 H SER 14 -1.380 -15.613 22.534 66 HA SER 14 HA SER 14 -0.251 -13.810 21.761 67 HB2 SER 14 2HB SER 14 1.621 -15.901 20.627 68 HB3 SER 14 1HB SER 14 1.959 -14.170 20.640 69 HG SER 14 HG SER 14 1.533 -15.838 22.898 70 H LEU 15 H LEU 15 -0.873 -12.440 20.269 71 HA LEU 15 HA LEU 15 -1.726 -13.443 17.657 72 HB2 LEU 15 2HB LEU 15 -2.741 -11.139 17.422 73 HB3 LEU 15 1HB LEU 15 -3.429 -12.171 18.657 74 HG LEU 15 HG LEU 15 -1.323 -10.430 19.695 75 HD11 LEU 15 1HD1 LEU 15 -3.745 -9.217 18.386 76 HD12 LEU 15 2HD1 LEU 15 -2.048 -8.845 18.082 77 HD13 LEU 15 3HD1 LEU 15 -2.787 -8.397 19.619 78 HD21 LEU 15 3HD2 LEU 15 -2.868 -11.737 21.078 79 HD22 LEU 15 1HD2 LEU 15 -4.223 -10.816 20.426 80 HD23 LEU 15 2HD2 LEU 15 -2.999 -10.009 21.406 81 H TRP 16 H TRP 16 0.702 -11.434 19.114 82 HA TRP 16 HA TRP 16 1.887 -10.958 16.462 83 HB2 TRP 16 2HB TRP 16 0.773 -8.941 17.891 84 HB3 TRP 16 1HB TRP 16 2.409 -8.914 18.540 85 HD1 TRP 16 HD TRP 16 4.412 -8.411 16.758 86 HE1 TRP 16 1HE TRP 16 4.396 -7.060 14.569 87 HE3 TRP 16 3HE TRP 16 -0.637 -8.299 15.894 88 HZ2 TRP 16 2HZ TRP 16 2.505 -6.077 12.723 89 HZ3 TRP 16 3HZ TRP 16 -1.460 -7.130 13.892 90 HH2 TRP 16 HH TRP 16 0.080 -6.042 12.341 91 H ASP 17 H ASP 17 4.109 -11.094 16.342 92 HA ASP 17 HA ASP 17 5.406 -12.424 18.599 93 HB2 ASP 17 2HB ASP 17 5.653 -12.534 15.694 94 HB3 ASP 17 1HB ASP 17 7.215 -12.395 16.494 95 HA PRO 18 HA PRO 18 7.632 -8.652 19.572 96 HB2 PRO 18 2HB PRO 18 9.420 -9.654 21.347 97 HB3 PRO 18 1HB PRO 18 7.717 -9.401 21.743 98 HG2 PRO 18 2HG PRO 18 9.138 -11.927 21.004 99 HG3 PRO 18 1HG PRO 18 7.889 -11.662 22.236 100 HD2 PRO 18 2HD PRO 18 7.378 -12.742 19.778 101 HD3 PRO 18 1HD PRO 18 6.181 -11.828 20.713 102 H ALA 19 H ALA 19 9.233 -7.605 18.584 103 HA ALA 19 HA ALA 19 11.360 -9.169 17.279 104 HB1 ALA 19 3HB ALA 19 11.574 -7.332 15.706 105 HB2 ALA 19 1HB ALA 19 10.358 -6.410 16.592 106 HB3 ALA 19 2HB ALA 19 9.906 -7.902 15.767 107 H SER 20 H SER 20 10.751 -6.780 19.684 108 HA SER 20 HA SER 20 12.031 -5.635 21.157 109 HB2 SER 20 2HB SER 20 14.204 -7.528 20.229 110 HB3 SER 20 1HB SER 20 14.364 -6.430 21.599 111 HG SER 20 HG SER 20 12.943 -7.600 22.728 112 HA PRO 21 HA PRO 21 13.957 -2.219 19.029 113 HB2 PRO 21 2HB PRO 21 15.915 -1.858 21.210 114 HB3 PRO 21 1HB PRO 21 14.672 -0.749 20.626 115 HG2 PRO 21 2HG PRO 21 14.420 -1.986 22.979 116 HG3 PRO 21 1HG PRO 21 13.016 -1.712 21.929 117 HD2 PRO 21 2HD PRO 21 14.618 -4.217 22.338 118 HD3 PRO 21 1HD PRO 21 12.857 -4.009 22.235 119 H ALA 22 H ALA 22 15.324 -2.216 17.383 120 HA ALA 22 HA ALA 22 17.986 -3.430 17.688 121 HB1 ALA 22 3HB ALA 22 17.781 -4.325 15.379 122 HB2 ALA 22 1HB ALA 22 16.091 -3.820 15.372 123 HB3 ALA 22 2HB ALA 22 16.640 -5.048 16.514 124 HA PRO 23 HA PRO 23 19.635 0.282 15.800 125 HB2 PRO 23 2HB PRO 23 21.283 -1.336 13.946 126 HB3 PRO 23 1HB PRO 23 21.789 -0.158 15.160 127 HG2 PRO 23 2HG PRO 23 22.169 -2.764 15.553 128 HG3 PRO 23 1HG PRO 23 21.687 -1.703 16.890 129 HD2 PRO 23 2HD PRO 23 20.009 -3.590 15.270 130 HD3 PRO 23 1HD PRO 23 20.014 -3.307 17.022 131 H THR 24 H THR 24 19.786 1.537 13.824 132 HA THR 24 HA THR 24 17.757 0.744 11.875 133 HB THR 24 HB THR 24 18.970 3.388 11.500 134 HG1 THR 24 1HG THR 24 17.988 2.612 14.011 135 HG21 THR 24 1HG2 THR 24 16.896 2.632 10.409 136 HG22 THR 24 2HG2 THR 24 16.638 4.077 11.389 137 HG23 THR 24 3HG2 THR 24 16.125 2.501 11.990 138 H SER 25 H SER 25 18.085 0.712 9.669 139 HA SER 25 HA SER 25 20.888 0.710 8.757 140 HB2 SER 25 2HB SER 25 18.644 -1.170 7.978 141 HB3 SER 25 1HB SER 25 20.201 -1.098 7.153 142 HG SER 25 HG SER 25 21.014 -1.404 9.466 143 H GLY 26 H GLY 26 21.053 0.949 6.312 144 HA2 GLY 26 2HA GLY 26 19.591 3.306 5.518 145 HA3 GLY 26 1HA GLY 26 20.870 2.515 4.612 146 HA PRO 27 HA PRO 27 16.558 0.691 3.343 147 HB2 PRO 27 2HB PRO 27 14.597 2.533 3.115 148 HB3 PRO 27 1HB PRO 27 14.909 1.658 4.617 149 HG2 PRO 27 2HG PRO 27 15.627 4.452 3.862 150 HG3 PRO 27 1HG PRO 27 15.125 3.806 5.434 151 HD2 PRO 27 2HD PRO 27 17.743 4.358 4.693 152 HD3 PRO 27 1HD PRO 27 17.266 3.275 6.013 153 H ARG 28 H ARG 28 15.554 0.690 1.254 154 HA ARG 28 HA ARG 28 16.966 2.382 -0.682 155 HB2 ARG 28 2HB ARG 28 16.181 0.644 -2.362 156 HB3 ARG 28 1HB ARG 28 17.369 0.108 -1.189 157 HG2 ARG 28 2HG ARG 28 15.554 -0.953 0.117 158 HG3 ARG 28 1HG ARG 28 14.408 -0.467 -1.134 159 HD2 ARG 28 2HD ARG 28 16.064 -1.707 -2.727 160 HD3 ARG 28 1HD ARG 28 16.593 -2.505 -1.247 161 HE ARG 28 HE ARG 28 13.930 -2.697 -2.468 162 HH11 ARG 28 1HH1 ARG 28 16.212 -3.816 -0.043 163 HH12 ARG 28 2HH1 ARG 28 15.272 -5.212 0.363 164 HH21 ARG 28 1HH2 ARG 28 12.715 -4.532 -1.919 165 HH22 ARG 28 2HH2 ARG 28 13.295 -5.616 -0.699 166 HA PRO 29 HA PRO 29 13.215 4.578 -1.659 167 HB2 PRO 29 2HB PRO 29 13.754 5.406 -4.195 168 HB3 PRO 29 1HB PRO 29 14.496 6.129 -2.765 169 HG2 PRO 29 2HG PRO 29 15.612 4.109 -4.668 170 HG3 PRO 29 1HG PRO 29 16.410 5.503 -3.919 171 HD2 PRO 29 2HD PRO 29 16.730 2.955 -3.024 172 HD3 PRO 29 1HD PRO 29 16.822 4.371 -1.960 173 H ARG 30 H ARG 30 11.269 3.807 -2.141 174 HA ARG 30 HA ARG 30 10.611 2.610 -4.659 175 HB2 ARG 30 2HB ARG 30 11.592 0.788 -2.875 176 HB3 ARG 30 1HB ARG 30 9.874 0.724 -2.510 177 HG2 ARG 30 2HG ARG 30 9.394 0.241 -4.859 178 HG3 ARG 30 1HG ARG 30 11.120 0.301 -5.219 179 HD2 ARG 30 2HD ARG 30 10.461 -1.486 -3.006 180 HD3 ARG 30 1HD ARG 30 9.704 -1.954 -4.528 181 HE ARG 30 HE ARG 30 12.463 -1.350 -4.876 182 HH11 ARG 30 1HH1 ARG 30 10.319 -3.888 -3.736 183 HH12 ARG 30 2HH1 ARG 30 11.455 -5.154 -4.064 184 HH21 ARG 30 1HH2 ARG 30 13.933 -3.024 -5.298 185 HH22 ARG 30 2HH2 ARG 30 13.499 -4.664 -4.947 186 H LEU 31 H LEU 31 9.678 3.276 -1.328 187 HA LEU 31 HA LEU 31 6.929 3.905 -2.223 188 HB2 LEU 31 2HB LEU 31 7.909 2.346 0.126 189 HB3 LEU 31 1HB LEU 31 6.469 3.315 0.314 190 HG LEU 31 HG LEU 31 5.592 1.232 -0.168 191 HD11 LEU 31 1HD1 LEU 31 4.439 1.402 -2.141 192 HD12 LEU 31 2HD1 LEU 31 5.813 2.073 -3.017 193 HD13 LEU 31 3HD1 LEU 31 4.936 3.067 -1.861 194 HD21 LEU 31 3HD2 LEU 31 7.830 0.231 -0.716 195 HD22 LEU 31 1HD2 LEU 31 7.559 0.742 -2.383 196 HD23 LEU 31 2HD2 LEU 31 6.459 -0.407 -1.622 197 H TRP 32 H TRP 32 6.325 5.930 -1.880 198 HA TRP 32 HA TRP 32 7.325 7.430 0.417 199 HB2 TRP 32 2HB TRP 32 7.823 9.437 -1.105 200 HB3 TRP 32 1HB TRP 32 9.005 8.136 -1.103 201 HD1 TRP 32 HD TRP 32 5.905 9.078 -3.268 202 HE1 TRP 32 1HE TRP 32 6.483 8.616 -5.724 203 HE3 TRP 32 3HE TRP 32 10.663 7.276 -2.675 204 HZ2 TRP 32 2HZ TRP 32 8.661 7.649 -7.226 205 HZ3 TRP 32 3HZ TRP 32 11.920 6.614 -4.681 206 HH2 TRP 32 HH TRP 32 10.941 6.795 -6.907 207 H GLU 33 H GLU 33 6.147 9.542 0.676 208 HA GLU 33 HA GLU 33 3.359 9.156 0.506 209 HB2 GLU 33 2HB GLU 33 5.081 11.519 1.201 210 HB3 GLU 33 1HB GLU 33 3.333 11.679 1.111 211 HG2 GLU 33 2HG GLU 33 3.208 9.757 2.754 212 HG3 GLU 33 1HG GLU 33 4.944 9.967 2.977 213 H GLY 34 H GLY 34 2.106 9.260 -1.207 214 HA2 GLY 34 2HA GLY 34 1.010 10.387 -2.967 215 HA3 GLY 34 1HA GLY 34 2.413 11.426 -3.155 216 H GLN 35 H GLN 35 2.548 7.925 -2.920 217 HA GLN 35 HA GLN 35 3.617 7.821 -5.655 218 HB2 GLN 35 2HB GLN 35 5.295 7.025 -4.247 219 HB3 GLN 35 1HB GLN 35 4.159 6.304 -3.124 220 HG2 GLN 35 2HG GLN 35 4.401 4.301 -4.074 221 HG3 GLN 35 1HG GLN 35 4.060 4.956 -5.678 222 HE21 GLN 35 1HE2 GLN 35 5.580 3.792 -6.750 223 HE22 GLN 35 2HE2 GLN 35 7.280 3.982 -6.520 224 H ASP 36 H ASP 36 2.077 7.274 -7.086 225 HA ASP 36 HA ASP 36 -0.301 5.885 -6.444 226 HB2 ASP 36 2HB ASP 36 1.016 6.357 -9.123 227 HB3 ASP 36 1HB ASP 36 -0.566 5.623 -8.934 228 H VAL 37 H VAL 37 -0.346 3.923 -5.723 229 HA VAL 37 HA VAL 37 1.507 1.915 -6.815 230 HB VAL 37 HB VAL 37 1.154 0.699 -4.666 231 HG11 VAL 37 1HG1 VAL 37 2.338 3.459 -4.507 232 HG12 VAL 37 2HG1 VAL 37 3.161 1.970 -4.973 233 HG13 VAL 37 3HG1 VAL 37 2.604 2.188 -3.315 234 HG21 VAL 37 3HG2 VAL 37 -1.023 2.027 -4.164 235 HG22 VAL 37 1HG2 VAL 37 0.064 3.222 -3.457 236 HG23 VAL 37 2HG2 VAL 37 0.029 1.575 -2.826 237 H LEU 38 H LEU 38 0.782 -0.306 -6.691 238 HA LEU 38 HA LEU 38 -2.099 -0.624 -7.190 239 HB2 LEU 38 2HB LEU 38 0.246 -1.995 -8.482 240 HB3 LEU 38 1HB LEU 38 -1.410 -2.531 -8.668 241 HG LEU 38 HG LEU 38 -0.577 0.259 -9.422 242 HD11 LEU 38 1HD1 LEU 38 0.791 -0.707 -10.924 243 HD12 LEU 38 2HD1 LEU 38 -0.713 -0.988 -11.801 244 HD13 LEU 38 3HD1 LEU 38 -0.014 -2.271 -10.815 245 HD21 LEU 38 3HD2 LEU 38 -2.588 -0.930 -11.057 246 HD22 LEU 38 1HD2 LEU 38 -2.713 0.467 -9.989 247 HD23 LEU 38 2HD2 LEU 38 -3.022 -1.152 -9.362 248 H ALA 39 H ALA 39 -2.793 -1.298 -5.334 249 HA ALA 39 HA ALA 39 -1.342 -3.274 -3.760 250 HB1 ALA 39 3HB ALA 39 -4.011 -2.306 -2.909 251 HB2 ALA 39 1HB ALA 39 -2.740 -1.090 -3.029 252 HB3 ALA 39 2HB ALA 39 -2.529 -2.493 -1.984 253 H ARG 40 H ARG 40 -1.605 -5.308 -4.366 254 HA ARG 40 HA ARG 40 -3.801 -6.279 -5.889 255 HB2 ARG 40 2HB ARG 40 -1.236 -7.117 -5.380 256 HB3 ARG 40 1HB ARG 40 -2.187 -8.267 -4.468 257 HG2 ARG 40 2HG ARG 40 -2.782 -7.697 -7.351 258 HG3 ARG 40 1HG ARG 40 -1.550 -8.861 -6.875 259 HD2 ARG 40 2HD ARG 40 -3.356 -9.974 -5.474 260 HD3 ARG 40 1HD ARG 40 -4.504 -8.946 -6.331 261 HE ARG 40 HE ARG 40 -3.643 -10.022 -8.409 262 HH11 ARG 40 1HH1 ARG 40 -3.381 -11.730 -5.349 263 HH12 ARG 40 2HH1 ARG 40 -3.357 -13.292 -6.094 264 HH21 ARG 40 1HH2 ARG 40 -3.613 -12.080 -9.359 265 HH22 ARG 40 2HH2 ARG 40 -3.489 -13.489 -8.361 266 H TRP 41 H TRP 41 -5.732 -6.902 -5.217 267 HA TRP 41 HA TRP 41 -6.269 -7.240 -2.390 268 HB2 TRP 41 2HB TRP 41 -7.763 -5.858 -3.729 269 HB3 TRP 41 1HB TRP 41 -8.154 -7.226 -4.760 270 HD1 TRP 41 HD TRP 41 -8.140 -7.387 -0.870 271 HE1 TRP 41 1HE TRP 41 -10.537 -7.909 -0.088 272 HE3 TRP 41 3HE TRP 41 -10.514 -7.147 -5.365 273 HZ2 TRP 41 2HZ TRP 41 -13.106 -8.175 -1.237 274 HZ3 TRP 41 3HZ TRP 41 -12.950 -7.539 -5.456 275 HH2 TRP 41 HH TRP 41 -14.215 -8.044 -3.428 276 H THR 42 H THR 42 -7.177 -9.065 -1.433 277 HA THR 42 HA THR 42 -6.057 -11.534 -2.241 278 HB THR 42 HB THR 42 -7.502 -12.458 -0.330 279 HG1 THR 42 1HG THR 42 -7.840 -9.684 0.210 280 HG21 THR 42 1HG2 THR 42 -6.058 -11.304 1.379 281 HG22 THR 42 2HG2 THR 42 -5.452 -10.284 0.074 282 HG23 THR 42 3HG2 THR 42 -5.184 -12.027 0.028 283 H ASP 43 H ASP 43 -8.847 -10.130 -3.435 284 HA ASP 43 HA ASP 43 -10.347 -12.611 -3.713 285 HB2 ASP 43 2HB ASP 43 -11.045 -9.886 -3.642 286 HB3 ASP 43 1HB ASP 43 -11.430 -10.446 -5.270 287 H GLY 44 H GLY 44 -7.911 -11.004 -5.396 288 HA2 GLY 44 2HA GLY 44 -6.910 -12.252 -7.252 289 HA3 GLY 44 1HA GLY 44 -8.538 -12.523 -7.850 290 H LEU 45 H LEU 45 -9.015 -9.560 -6.994 291 HA LEU 45 HA LEU 45 -8.133 -8.436 -9.543 292 HB2 LEU 45 2HB LEU 45 -10.254 -7.623 -7.572 293 HB3 LEU 45 1HB LEU 45 -9.771 -6.599 -8.915 294 HG LEU 45 HG LEU 45 -10.435 -9.318 -9.744 295 HD11 LEU 45 1HD1 LEU 45 -12.856 -9.054 -9.445 296 HD12 LEU 45 2HD1 LEU 45 -12.567 -7.613 -8.469 297 HD13 LEU 45 3HD1 LEU 45 -12.005 -9.189 -7.906 298 HD21 LEU 45 3HD2 LEU 45 -10.083 -7.353 -11.218 299 HD22 LEU 45 1HD2 LEU 45 -11.556 -6.645 -10.554 300 HD23 LEU 45 2HD2 LEU 45 -11.635 -8.156 -11.459 301 H LEU 46 H LEU 46 -7.136 -6.418 -9.692 302 HA LEU 46 HA LEU 46 -5.373 -5.754 -7.497 303 HB2 LEU 46 2HB LEU 46 -4.588 -5.974 -9.825 304 HB3 LEU 46 1HB LEU 46 -5.650 -4.658 -10.300 305 HG LEU 46 HG LEU 46 -4.250 -3.236 -8.653 306 HD11 LEU 46 1HD1 LEU 46 -2.940 -5.717 -8.342 307 HD12 LEU 46 2HD1 LEU 46 -2.497 -4.158 -7.658 308 HD13 LEU 46 3HD1 LEU 46 -1.849 -4.654 -9.224 309 HD21 LEU 46 3HD2 LEU 46 -4.071 -2.609 -10.808 310 HD22 LEU 46 1HD2 LEU 46 -3.645 -4.223 -11.367 311 HD23 LEU 46 2HD2 LEU 46 -2.438 -3.217 -10.565 312 H TYR 47 H TYR 47 -4.976 -3.387 -7.025 313 HA TYR 47 HA TYR 47 -7.376 -1.701 -7.131 314 HB2 TYR 47 2HB TYR 47 -5.907 -2.581 -4.643 315 HB3 TYR 47 1HB TYR 47 -6.772 -1.056 -4.686 316 HD1 TYR 47 1HD TYR 47 -8.972 -2.889 -6.556 317 HD2 TYR 47 2HD TYR 47 -7.376 -2.850 -2.610 318 HE1 TYR 47 1HE TYR 47 -10.999 -3.986 -5.733 319 HE2 TYR 47 2HE TYR 47 -9.403 -3.958 -1.783 320 HH TYR 47 HH TYR 47 -11.284 -5.058 -2.394 321 H LEU 48 H LEU 48 -6.891 0.429 -7.472 322 HA LEU 48 HA LEU 48 -4.059 1.150 -7.624 323 HB2 LEU 48 2HB LEU 48 -5.299 1.631 -9.624 324 HB3 LEU 48 1HB LEU 48 -6.549 2.464 -8.724 325 HG LEU 48 HG LEU 48 -4.654 4.143 -8.110 326 HD11 LEU 48 1HD1 LEU 48 -2.885 4.348 -9.744 327 HD12 LEU 48 2HD1 LEU 48 -3.476 2.926 -10.604 328 HD13 LEU 48 3HD1 LEU 48 -2.813 2.760 -8.978 329 HD21 LEU 48 3HD2 LEU 48 -4.970 5.170 -10.504 330 HD22 LEU 48 1HD2 LEU 48 -6.329 5.046 -9.385 331 HD23 LEU 48 2HD2 LEU 48 -6.137 3.860 -10.677 332 H GLY 49 H GLY 49 -3.151 2.792 -6.462 333 HA2 GLY 49 2HA GLY 49 -4.781 4.448 -4.721 334 HA3 GLY 49 1HA GLY 49 -3.820 3.250 -3.884 335 H THR 50 H THR 50 -3.321 5.591 -3.056 336 HA THR 50 HA THR 50 -0.717 6.315 -4.204 337 HB THR 50 HB THR 50 -1.966 8.616 -2.956 338 HG1 THR 50 1HG THR 50 -3.838 8.602 -3.931 339 HG21 THR 50 1HG2 THR 50 -1.135 9.748 -4.904 340 HG22 THR 50 2HG2 THR 50 -0.988 8.227 -5.786 341 HG23 THR 50 3HG2 THR 50 0.069 8.557 -4.413 342 H ILE 51 H ILE 51 0.846 6.378 -2.747 343 HA ILE 51 HA ILE 51 0.451 5.362 -0.167 344 HB ILE 51 HB ILE 51 2.888 6.739 -1.286 345 HG12 ILE 51 2HG1 ILE 51 2.091 4.761 -2.573 346 HG13 ILE 51 1HG1 ILE 51 3.674 4.526 -1.865 347 HG21 ILE 51 1HG2 ILE 51 2.714 6.426 1.291 348 HG22 ILE 51 2HG2 ILE 51 4.190 5.932 0.461 349 HG23 ILE 51 3HG2 ILE 51 2.997 4.722 0.929 350 HD11 ILE 51 3HD1 ILE 51 1.854 3.553 0.021 351 HD12 ILE 51 1HD1 ILE 51 2.936 2.622 -1.007 352 HD13 ILE 51 2HD1 ILE 51 1.299 2.971 -1.545 353 H LYS 52 H LYS 52 -0.263 6.210 1.565 354 HA LYS 52 HA LYS 52 -0.143 9.094 2.027 355 HB2 LYS 52 2HB LYS 52 -2.221 7.440 2.333 356 HB3 LYS 52 1HB LYS 52 -1.502 7.233 3.924 357 HG2 LYS 52 2HG LYS 52 -2.742 9.007 4.494 358 HG3 LYS 52 1HG LYS 52 -1.505 9.944 3.659 359 HD2 LYS 52 2HD LYS 52 -2.912 9.542 1.546 360 HD3 LYS 52 1HD LYS 52 -4.195 9.071 2.661 361 HE2 LYS 52 2HE LYS 52 -2.748 11.688 2.944 362 HE3 LYS 52 1HE LYS 52 -4.125 11.508 1.860 363 HZ1 LYS 52 3HZ LYS 52 -4.118 11.873 4.655 364 HZ2 LYS 52 1HZ LYS 52 -4.866 10.399 4.293 365 HZ3 LYS 52 2HZ LYS 52 -5.436 11.830 3.596 366 H LYS 53 H LYS 53 1.023 6.017 3.251 367 HA LYS 53 HA LYS 53 2.973 7.394 4.939 368 HB2 LYS 53 2HB LYS 53 0.689 6.214 6.033 369 HB3 LYS 53 1HB LYS 53 1.949 5.014 6.263 370 HG2 LYS 53 2HG LYS 53 3.041 6.255 7.812 371 HG3 LYS 53 1HG LYS 53 2.646 7.783 7.030 372 HD2 LYS 53 2HD LYS 53 1.514 7.721 9.137 373 HD3 LYS 53 1HD LYS 53 0.303 7.532 7.870 374 HE2 LYS 53 2HE LYS 53 -0.297 5.938 9.475 375 HE3 LYS 53 1HE LYS 53 0.572 5.012 8.247 376 HZ1 LYS 53 3HZ LYS 53 2.595 5.364 9.716 377 HZ2 LYS 53 1HZ LYS 53 1.421 4.286 10.285 378 HZ3 LYS 53 2HZ LYS 53 1.517 5.848 10.926 379 H VAL 54 H VAL 54 4.733 5.940 5.624 380 HA VAL 54 HA VAL 54 5.028 3.532 3.978 381 HB VAL 54 HB VAL 54 7.017 5.817 4.051 382 HG11 VAL 54 1HG1 VAL 54 8.751 4.510 3.396 383 HG12 VAL 54 2HG1 VAL 54 7.713 3.421 2.474 384 HG13 VAL 54 3HG1 VAL 54 7.844 3.242 4.224 385 HG21 VAL 54 3HG2 VAL 54 6.868 5.286 1.495 386 HG22 VAL 54 1HG2 VAL 54 5.605 6.242 2.272 387 HG23 VAL 54 2HG2 VAL 54 5.337 4.530 1.938 388 H ASP 55 H ASP 55 5.954 1.880 4.950 389 HA ASP 55 HA ASP 55 7.273 2.273 7.552 390 HB2 ASP 55 2HB ASP 55 5.073 0.416 6.752 391 HB3 ASP 55 1HB ASP 55 6.301 -0.216 7.851 392 H SER 56 H SER 56 9.280 2.314 6.463 393 HA SER 56 HA SER 56 10.160 0.165 4.780 394 HB2 SER 56 2HB SER 56 11.798 2.344 6.092 395 HB3 SER 56 1HB SER 56 12.291 1.335 4.733 396 HG SER 56 HG SER 56 11.254 2.624 3.451 397 H ALA 57 H ALA 57 9.732 0.248 8.057 398 HA ALA 57 HA ALA 57 12.115 -1.246 8.798 399 HB1 ALA 57 3HB ALA 57 11.146 -1.213 11.069 400 HB2 ALA 57 1HB ALA 57 9.727 -0.386 10.424 401 HB3 ALA 57 2HB ALA 57 11.306 0.398 10.368 402 H ARG 58 H ARG 58 8.644 -1.800 8.414 403 HA ARG 58 HA ARG 58 9.062 -4.684 8.836 404 HB2 ARG 58 2HB ARG 58 6.667 -2.901 9.188 405 HB3 ARG 58 1HB ARG 58 6.469 -4.636 8.990 406 HG2 ARG 58 2HG ARG 58 6.593 -4.642 11.238 407 HG3 ARG 58 1HG ARG 58 8.332 -4.578 10.951 408 HD2 ARG 58 2HD ARG 58 8.075 -2.042 10.975 409 HD3 ARG 58 1HD ARG 58 6.465 -2.323 11.637 410 HE ARG 58 HE ARG 58 8.653 -3.615 13.038 411 HH11 ARG 58 1HH1 ARG 58 6.529 -0.822 12.906 412 HH12 ARG 58 2HH1 ARG 58 6.793 -0.398 14.565 413 HH21 ARG 58 1HH2 ARG 58 8.983 -3.043 15.207 414 HH22 ARG 58 2HH2 ARG 58 8.182 -1.655 15.865 415 H GLU 59 H GLU 59 9.177 -2.707 6.336 416 HA GLU 59 HA GLU 59 8.866 -2.812 4.089 417 HB2 GLU 59 2HB GLU 59 8.591 -5.734 4.782 418 HB3 GLU 59 1HB GLU 59 8.444 -5.171 3.123 419 HG2 GLU 59 2HG GLU 59 10.832 -4.344 4.691 420 HG3 GLU 59 1HG GLU 59 10.742 -6.006 4.097 421 H VAL 60 H VAL 60 6.766 -1.817 5.417 422 HA VAL 60 HA VAL 60 4.462 -2.688 3.808 423 HB VAL 60 HB VAL 60 3.995 -1.610 6.570 424 HG11 VAL 60 1HG1 VAL 60 2.041 -3.342 6.257 425 HG12 VAL 60 2HG1 VAL 60 2.440 -3.139 4.553 426 HG13 VAL 60 3HG1 VAL 60 1.974 -1.741 5.520 427 HG21 VAL 60 3HG2 VAL 60 4.887 -4.389 5.941 428 HG22 VAL 60 1HG2 VAL 60 3.697 -4.131 7.217 429 HG23 VAL 60 2HG2 VAL 60 5.283 -3.367 7.322 430 H CYS 61 H CYS 61 2.758 -0.940 3.673 431 HA CYS 61 HA CYS 61 3.531 1.790 4.227 432 HB2 CYS 61 2HB CYS 61 3.591 0.711 1.426 433 HB3 CYS 61 1HB CYS 61 3.116 2.383 1.725 434 HG CYS 61 HG CYS 61 6.138 1.017 1.740 435 H LEU 62 H LEU 62 1.833 3.194 4.197 436 HA LEU 62 HA LEU 62 -0.811 1.983 3.881 437 HB2 LEU 62 2HB LEU 62 0.180 3.638 5.844 438 HB3 LEU 62 1HB LEU 62 -0.665 4.763 4.807 439 HG LEU 62 HG LEU 62 -2.264 4.234 6.408 440 HD11 LEU 62 1HD1 LEU 62 -3.152 2.036 4.636 441 HD12 LEU 62 2HD1 LEU 62 -2.869 3.602 3.877 442 HD13 LEU 62 3HD1 LEU 62 -4.021 3.462 5.205 443 HD21 LEU 62 3HD2 LEU 62 -2.660 1.587 6.738 444 HD22 LEU 62 1HD2 LEU 62 -1.627 2.576 7.770 445 HD23 LEU 62 2HD2 LEU 62 -0.919 1.629 6.462 446 H VAL 63 H VAL 63 -2.209 2.608 2.344 447 HA VAL 63 HA VAL 63 -1.513 4.909 0.686 448 HB VAL 63 HB VAL 63 -0.856 3.667 -1.050 449 HG11 VAL 63 1HG1 VAL 63 -1.074 1.099 -0.957 450 HG12 VAL 63 2HG1 VAL 63 -1.536 1.380 0.720 451 HG13 VAL 63 3HG1 VAL 63 0.036 1.924 0.135 452 HG21 VAL 63 3HG2 VAL 63 -3.155 3.838 -1.806 453 HG22 VAL 63 1HG2 VAL 63 -3.536 2.320 -0.995 454 HG23 VAL 63 2HG2 VAL 63 -2.400 2.336 -2.344 455 H GLN 64 H GLN 64 -3.157 5.992 -0.227 456 HA GLN 64 HA GLN 64 -5.842 5.355 0.735 457 HB2 GLN 64 2HB GLN 64 -4.727 7.705 0.902 458 HB3 GLN 64 1HB GLN 64 -5.092 7.841 -0.811 459 HG2 GLN 64 2HG GLN 64 -7.203 8.409 -0.377 460 HG3 GLN 64 1HG GLN 64 -7.429 6.983 0.639 461 HE21 GLN 64 1HE2 GLN 64 -8.002 7.415 2.630 462 HE22 GLN 64 2HE2 GLN 64 -7.600 8.832 3.531 463 H PHE 65 H PHE 65 -7.498 4.843 -0.668 464 HA PHE 65 HA PHE 65 -6.654 4.260 -3.402 465 HB2 PHE 65 2HB PHE 65 -8.748 3.008 -1.634 466 HB3 PHE 65 1HB PHE 65 -8.517 2.587 -3.333 467 HD1 PHE 65 2HD PHE 65 -6.849 2.598 -0.015 468 HD2 PHE 65 1HD PHE 65 -6.808 1.167 -4.003 469 HE1 PHE 65 2HE PHE 65 -5.051 1.022 0.577 470 HE2 PHE 65 1HE PHE 65 -5.013 -0.409 -3.429 471 HZ PHE 65 HZ PHE 65 -4.148 -0.491 -1.140 472 H GLU 66 H GLU 66 -8.404 4.178 -5.049 473 HA GLU 66 HA GLU 66 -9.355 6.714 -5.622 474 HB2 GLU 66 2HB GLU 66 -9.021 4.507 -7.057 475 HB3 GLU 66 1HB GLU 66 -10.756 4.377 -6.812 476 HG2 GLU 66 2HG GLU 66 -10.534 5.490 -8.846 477 HG3 GLU 66 1HG GLU 66 -10.896 6.766 -7.686 478 H ASP 67 H ASP 67 -11.171 3.970 -4.214 479 HA ASP 67 HA ASP 67 -13.559 5.634 -4.088 480 HB2 ASP 67 2HB ASP 67 -13.626 3.234 -4.829 481 HB3 ASP 67 1HB ASP 67 -13.258 2.765 -3.179 482 H ASP 68 H ASP 68 -11.315 6.459 -2.523 483 HA ASP 68 HA ASP 68 -10.730 7.267 -0.499 484 HB2 ASP 68 2HB ASP 68 -13.728 7.273 -0.297 485 HB3 ASP 68 1HB ASP 68 -12.729 7.863 1.028 486 H SER 69 H SER 69 -9.929 4.845 -0.376 487 HA SER 69 HA SER 69 -10.825 3.826 2.240 488 HB2 SER 69 2HB SER 69 -11.177 2.430 -0.042 489 HB3 SER 69 1HB SER 69 -9.551 1.877 0.384 490 HG SER 69 HG SER 69 -10.323 1.002 2.212 491 H GLN 70 H GLN 70 -9.328 3.769 3.763 492 HA GLN 70 HA GLN 70 -6.510 4.064 3.004 493 HB2 GLN 70 2HB GLN 70 -8.119 4.819 5.363 494 HB3 GLN 70 1HB GLN 70 -6.539 4.152 5.748 495 HG2 GLN 70 2HG GLN 70 -6.815 6.347 3.732 496 HG3 GLN 70 1HG GLN 70 -6.796 6.697 5.460 497 HE21 GLN 70 1HE2 GLN 70 -4.932 6.385 2.752 498 HE22 GLN 70 2HE2 GLN 70 -3.385 6.168 3.501 499 H PHE 71 H PHE 71 -5.950 2.079 2.370 500 HA PHE 71 HA PHE 71 -6.319 -0.146 4.265 501 HB2 PHE 71 2HB PHE 71 -6.818 0.151 1.397 502 HB3 PHE 71 1HB PHE 71 -5.873 -1.281 1.769 503 HD1 PHE 71 1HD PHE 71 -8.313 -0.255 4.314 504 HD2 PHE 71 2HD PHE 71 -7.751 -2.492 0.735 505 HE1 PHE 71 1HE PHE 71 -10.394 -1.479 4.755 506 HE2 PHE 71 2HE PHE 71 -9.831 -3.725 1.180 507 HZ PHE 71 HZ PHE 71 -11.157 -3.217 3.189 508 H LEU 72 H LEU 72 -4.564 -1.008 5.087 509 HA LEU 72 HA LEU 72 -1.952 -0.118 4.294 510 HB2 LEU 72 2HB LEU 72 -1.335 -2.112 5.993 511 HB3 LEU 72 1HB LEU 72 -1.736 -0.494 6.516 512 HG LEU 72 HG LEU 72 -2.759 -2.270 7.894 513 HD11 LEU 72 1HD1 LEU 72 -4.032 -0.491 8.293 514 HD12 LEU 72 2HD1 LEU 72 -5.240 -1.345 7.330 515 HD13 LEU 72 3HD1 LEU 72 -4.223 -0.115 6.579 516 HD21 LEU 72 3HD2 LEU 72 -3.280 -3.581 5.563 517 HD22 LEU 72 1HD2 LEU 72 -4.866 -2.922 5.969 518 HD23 LEU 72 2HD2 LEU 72 -4.015 -3.952 7.122 519 H VAL 73 H VAL 73 -0.567 -1.044 3.021 520 HA VAL 73 HA VAL 73 -1.040 -3.830 2.164 521 HB VAL 73 HB VAL 73 0.161 -2.031 0.131 522 HG11 VAL 73 1HG1 VAL 73 -0.356 -4.569 0.009 523 HG12 VAL 73 2HG1 VAL 73 -0.667 -3.549 -1.393 524 HG13 VAL 73 3HG1 VAL 73 -1.998 -4.036 -0.345 525 HG21 VAL 73 3HG2 VAL 73 -1.762 -0.959 -0.580 526 HG22 VAL 73 1HG2 VAL 73 -1.924 -0.865 1.172 527 HG23 VAL 73 2HG2 VAL 73 -2.827 -2.078 0.268 528 H LEU 74 H LEU 74 0.693 -5.045 1.515 529 HA LEU 74 HA LEU 74 3.229 -4.345 2.750 530 HB2 LEU 74 2HB LEU 74 2.351 -6.889 1.362 531 HB3 LEU 74 1HB LEU 74 3.857 -6.677 2.218 532 HG LEU 74 HG LEU 74 2.518 -7.943 3.659 533 HD11 LEU 74 1HD1 LEU 74 2.534 -6.756 5.589 534 HD12 LEU 74 2HD1 LEU 74 1.811 -5.326 4.852 535 HD13 LEU 74 3HD1 LEU 74 3.514 -5.695 4.577 536 HD21 LEU 74 3HD2 LEU 74 0.199 -7.285 4.298 537 HD22 LEU 74 1HD2 LEU 74 0.387 -7.775 2.615 538 HD23 LEU 74 2HD2 LEU 74 0.254 -6.065 3.025 539 H TRP 75 H TRP 75 5.201 -4.247 1.657 540 HA TRP 75 HA TRP 75 5.231 -3.105 -0.906 541 HB2 TRP 75 2HB TRP 75 7.462 -4.410 0.654 542 HB3 TRP 75 1HB TRP 75 7.713 -3.532 -0.841 543 HD1 TRP 75 HD TRP 75 5.231 -2.029 1.640 544 HE1 TRP 75 1HE TRP 75 6.266 0.075 2.680 545 HE3 TRP 75 3HE TRP 75 10.027 -2.480 -0.132 546 HZ2 TRP 75 2HZ TRP 75 8.758 1.373 2.763 547 HZ3 TRP 75 3HZ TRP 75 11.668 -0.757 0.488 548 HH2 TRP 75 HH TRP 75 11.045 1.131 1.908 549 H LYS 76 H LYS 76 4.933 -6.368 -0.031 550 HA LYS 76 HA LYS 76 6.073 -7.528 -2.429 551 HB2 LYS 76 2HB LYS 76 4.345 -8.776 -0.277 552 HB3 LYS 76 1HB LYS 76 5.194 -9.653 -1.540 553 HG2 LYS 76 2HG LYS 76 7.293 -9.177 -0.605 554 HG3 LYS 76 1HG LYS 76 6.637 -7.924 0.446 555 HD2 LYS 76 2HD LYS 76 5.385 -10.527 0.858 556 HD3 LYS 76 1HD LYS 76 7.122 -10.546 1.165 557 HE2 LYS 76 2HE LYS 76 5.324 -8.433 2.330 558 HE3 LYS 76 1HE LYS 76 5.576 -9.986 3.125 559 HZ1 LYS 76 3HZ LYS 76 7.983 -8.584 2.306 560 HZ2 LYS 76 1HZ LYS 76 7.657 -9.439 3.730 561 HZ3 LYS 76 2HZ LYS 76 7.101 -7.852 3.550 562 H ASP 77 H ASP 77 2.898 -6.717 -1.169 563 HA ASP 77 HA ASP 77 1.511 -7.770 -3.507 564 HB2 ASP 77 2HB ASP 77 0.764 -6.937 -0.781 565 HB3 ASP 77 1HB ASP 77 -0.419 -6.545 -2.024 566 H ILE 78 H ILE 78 3.218 -5.070 -3.063 567 HA ILE 78 HA ILE 78 1.283 -3.271 -4.343 568 HB ILE 78 HB ILE 78 3.819 -2.657 -2.819 569 HG12 ILE 78 2HG1 ILE 78 1.026 -1.663 -2.266 570 HG13 ILE 78 1HG1 ILE 78 1.565 -3.234 -1.691 571 HG21 ILE 78 1HG2 ILE 78 2.440 -1.054 -4.829 572 HG22 ILE 78 2HG2 ILE 78 4.017 -0.803 -4.080 573 HG23 ILE 78 3HG2 ILE 78 2.557 -0.239 -3.268 574 HD11 ILE 78 3HD1 ILE 78 3.512 -1.325 -0.958 575 HD12 ILE 78 1HD1 ILE 78 2.456 -2.290 0.072 576 HD13 ILE 78 2HD1 ILE 78 1.923 -0.709 -0.505 577 H SER 79 H SER 79 1.631 -2.356 -6.281 578 HA SER 79 HA SER 79 4.124 -2.927 -7.729 579 HB2 SER 79 2HB SER 79 1.687 -4.172 -8.285 580 HB3 SER 79 1HB SER 79 1.786 -2.877 -9.483 581 HG SER 79 HG SER 79 3.744 -3.707 -10.174 582 HA PRO 80 HA PRO 80 3.751 1.650 -7.912 583 HB2 PRO 80 2HB PRO 80 6.066 1.160 -9.744 584 HB3 PRO 80 1HB PRO 80 5.877 2.374 -8.473 585 HG2 PRO 80 2HG PRO 80 7.362 0.252 -8.006 586 HG3 PRO 80 1HG PRO 80 6.226 0.817 -6.761 587 HD2 PRO 80 2HD PRO 80 5.968 -1.496 -8.655 588 HD3 PRO 80 1HD PRO 80 5.529 -1.389 -6.936 589 H ALA 81 H ALA 81 2.321 2.628 -9.143 590 HA ALA 81 HA ALA 81 1.498 1.642 -11.700 591 HB1 ALA 81 3HB ALA 81 -0.001 2.690 -9.988 592 HB2 ALA 81 1HB ALA 81 -0.187 3.315 -11.627 593 HB3 ALA 81 2HB ALA 81 0.702 4.249 -10.424 594 H ALA 82 H ALA 82 3.509 4.315 -10.608 595 HA ALA 82 HA ALA 82 3.760 5.379 -13.320 596 HB1 ALA 82 3HB ALA 82 4.803 6.405 -10.683 597 HB2 ALA 82 1HB ALA 82 3.407 7.009 -11.577 598 HB3 ALA 82 2HB ALA 82 5.030 7.204 -12.240 599 H LEU 83 H LEU 83 5.441 4.990 -14.596 600 HA LEU 83 HA LEU 83 7.707 3.465 -13.522 601 HB2 LEU 83 2HB LEU 83 6.555 3.762 -16.284 602 HB3 LEU 83 1HB LEU 83 8.156 3.093 -16.025 603 HG LEU 83 HG LEU 83 6.294 1.746 -14.312 604 HD11 LEU 83 1HD1 LEU 83 5.550 1.785 -17.233 605 HD12 LEU 83 2HD1 LEU 83 4.584 2.423 -15.904 606 HD13 LEU 83 3HD1 LEU 83 4.892 0.690 -16.016 607 HD21 LEU 83 3HD2 LEU 83 8.489 0.932 -15.130 608 HD22 LEU 83 1HD2 LEU 83 7.786 0.762 -16.738 609 HD23 LEU 83 2HD2 LEU 83 7.171 -0.208 -15.400 610 HA ALA 331 HA ALA 331 -20.058 11.217 -17.054 611 HB1 ALA 331 3HB ALA 331 -19.211 9.946 -18.924 612 HB2 ALA 331 1HB ALA 331 -18.445 9.389 -17.436 613 HB3 ALA 331 2HB ALA 331 -17.558 10.434 -18.547 614 H THR 332 H THR 332 -19.409 10.720 -15.001 615 HA THR 332 HA THR 332 -17.065 12.189 -13.981 616 HB THR 332 HB THR 332 -18.272 11.894 -11.718 617 HG1 THR 332 1HG THR 332 -20.720 12.004 -12.870 618 HG21 THR 332 1HG2 THR 332 -19.357 13.725 -13.860 619 HG22 THR 332 2HG2 THR 332 -18.033 14.062 -12.745 620 HG23 THR 332 3HG2 THR 332 -19.680 13.904 -12.135 621 H GLY 333 H GLY 333 -15.579 11.178 -12.702 622 HA2 GLY 333 2HA GLY 333 -15.832 8.242 -12.490 623 HA3 GLY 333 1HA GLY 333 -14.308 9.091 -12.694 624 H GLY 334 H GLY 334 -15.259 7.187 -10.620 625 HA2 GLY 334 2HA GLY 334 -14.207 8.600 -8.336 626 HA3 GLY 334 1HA GLY 334 -15.909 8.196 -8.179 627 H VAL 335 H VAL 335 -15.021 5.747 -9.978 628 HA VAL 335 HA VAL 335 -14.457 4.024 -7.687 629 HB VAL 335 HB VAL 335 -16.410 3.613 -9.273 630 HG11 VAL 335 1HG1 VAL 335 -15.986 2.342 -11.317 631 HG12 VAL 335 2HG1 VAL 335 -14.252 2.583 -11.108 632 HG13 VAL 335 3HG1 VAL 335 -15.305 3.966 -11.402 633 HG21 VAL 335 3HG2 VAL 335 -16.229 1.193 -9.144 634 HG22 VAL 335 1HG2 VAL 335 -15.639 1.947 -7.662 635 HG23 VAL 335 2HG2 VAL 335 -14.494 1.324 -8.851 636 H M3L 336 H M3L 336 -12.987 2.124 -8.078 637 HA M3L 336 HA M3L 336 -10.364 2.913 -8.617 638 HB2 M3L 336 1HB M3L 336 -9.692 0.695 -8.263 639 HB3 M3L 336 2HB M3L 336 -11.168 0.037 -8.944 640 HG2 M3L 336 1HG M3L 336 -11.693 -0.370 -6.806 641 HG3 M3L 336 2HG M3L 336 -12.155 1.326 -6.788 642 HD2 M3L 336 1HD M3L 336 -9.643 1.710 -6.182 643 HD3 M3L 336 2HD M3L 336 -9.726 0.022 -5.674 644 HE2 M3L 336 1HE M3L 336 -11.988 1.617 -4.721 645 HE3 M3L 336 2HE M3L 336 -10.453 2.232 -4.152 646 HM11 M3L 336 1HM1 M3L 336 -8.845 0.072 -3.743 647 HM12 M3L 336 2HM1 M3L 336 -9.494 -1.063 -2.620 648 HM13 M3L 336 3HM1 M3L 336 -9.231 0.573 -2.137 649 HM21 M3L 336 1HM2 M3L 336 -11.128 -1.526 -4.511 650 HM22 M3L 336 2HM2 M3L 336 -12.623 -0.679 -4.339 651 HM23 M3L 336 3HM2 M3L 336 -11.971 -1.550 -2.999 652 HM31 M3L 336 3HM3 M3L 336 -11.464 1.939 -2.110 653 HM32 M3L 336 1HM3 M3L 336 -11.298 0.428 -1.286 654 HM33 M3L 336 2HM3 M3L 336 -12.701 0.742 -2.238 655 H LYS 337 H LYS 337 -9.067 2.968 -10.365 656 HA LYS 337 HA LYS 337 -9.920 1.634 -12.833 657 HB2 LYS 337 2HB LYS 337 -9.287 3.629 -14.178 658 HB3 LYS 337 1HB LYS 337 -10.667 3.914 -13.138 659 HG2 LYS 337 2HG LYS 337 -7.957 4.694 -12.160 660 HG3 LYS 337 1HG LYS 337 -8.734 5.687 -13.390 661 HD2 LYS 337 2HD LYS 337 -10.594 5.057 -11.267 662 HD3 LYS 337 1HD LYS 337 -9.130 5.791 -10.609 663 HE2 LYS 337 2HE LYS 337 -9.458 7.526 -12.524 664 HE3 LYS 337 1HE LYS 337 -11.117 6.925 -12.543 665 HZ1 LYS 337 3HZ LYS 337 -9.815 8.641 -10.653 666 HZ2 LYS 337 1HZ LYS 337 -10.604 7.345 -9.905 667 HZ3 LYS 337 2HZ LYS 337 -11.466 8.389 -10.918 668 HA PRO 338 HA PRO 338 -5.290 1.140 -11.787 669 HB2 PRO 338 2HB PRO 338 -5.879 -1.685 -11.287 670 HB3 PRO 338 1HB PRO 338 -5.054 -0.526 -10.242 671 HG2 PRO 338 2HG PRO 338 -7.482 -1.472 -9.642 672 HG3 PRO 338 1HG PRO 338 -7.030 0.211 -9.306 673 HD2 PRO 338 2HD PRO 338 -8.591 -0.888 -11.634 674 HD3 PRO 338 1HD PRO 338 -8.988 0.487 -10.577 675 H HIS 339 H HIS 339 -4.128 -1.242 -12.365 676 HA HIS 339 HA HIS 339 -3.602 -1.257 -15.081 677 HB2 HIS 339 2HB HIS 339 -2.810 -2.580 -12.728 678 HB3 HIS 339 1HB HIS 339 -3.190 -3.841 -13.867 679 HD1 HIS 339 1HD HIS 339 -1.976 -1.845 -16.274 680 HD2 HIS 339 2HD HIS 339 -0.154 -3.360 -12.852 681 HE1 HIS 339 1HE HIS 339 0.494 -1.806 -16.758 682 HE2 HIS 339 2HE HIS 339 1.573 -2.800 -14.708 683 H ARG 340 H ARG 340 -3.872 -3.204 -16.560 684 HA ARG 340 HA ARG 340 -6.678 -4.030 -16.567 685 HB2 ARG 340 2HB ARG 340 -4.905 -3.140 -18.574 686 HB3 ARG 340 1HB ARG 340 -5.219 -4.834 -18.924 687 HG2 ARG 340 2HG ARG 340 -7.519 -4.474 -19.178 688 HG3 ARG 340 1HG ARG 340 -7.447 -2.898 -18.385 689 HD2 ARG 340 2HD ARG 340 -5.896 -3.365 -20.896 690 HD3 ARG 340 1HD ARG 340 -7.629 -3.051 -20.988 691 HE ARG 340 HE ARG 340 -5.584 -1.197 -19.978 692 HH11 ARG 340 1HH1 ARG 340 -8.897 -1.762 -21.004 693 HH12 ARG 340 2HH1 ARG 340 -9.291 -0.075 -21.051 694 HH21 ARG 340 1HH2 ARG 340 -6.124 1.004 -20.046 695 HH22 ARG 340 2HH2 ARG 340 -7.721 1.488 -20.509 696 H TYR 341 H TYR 341 -5.731 -5.429 -14.664 697 HA TYR 341 HA TYR 341 -4.685 -7.973 -15.668 698 HB2 TYR 341 2HB TYR 341 -4.409 -6.468 -13.188 699 HB3 TYR 341 1HB TYR 341 -4.856 -8.145 -12.896 700 HD1 TYR 341 1HD TYR 341 -3.429 -9.941 -14.094 701 HD2 TYR 341 2HD TYR 341 -2.173 -5.916 -13.559 702 HE1 TYR 341 1HE TYR 341 -1.090 -10.638 -14.411 703 HE2 TYR 341 2HE TYR 341 0.169 -6.597 -13.878 704 HH TYR 341 HH TYR 341 1.260 -8.854 -15.245 Start of MODEL 6 1 HA SER 5 HA SER 5 -18.119 -4.742 -8.657 2 HB2 SER 5 2HB SER 5 -17.413 -3.225 -6.758 3 HB3 SER 5 1HB SER 5 -16.316 -3.253 -8.139 4 HG SER 5 HG SER 5 -16.659 -1.203 -8.390 5 H ARG 6 H ARG 6 -19.952 -1.714 -8.809 6 HA ARG 6 HA ARG 6 -21.890 -2.795 -6.882 7 HB2 ARG 6 2HB ARG 6 -20.847 -0.145 -7.414 8 HB3 ARG 6 1HB ARG 6 -22.604 -0.157 -7.469 9 HG2 ARG 6 2HG ARG 6 -22.775 -0.902 -5.249 10 HG3 ARG 6 1HG ARG 6 -21.073 -1.361 -5.187 11 HD2 ARG 6 2HD ARG 6 -20.396 0.947 -5.267 12 HD3 ARG 6 1HD ARG 6 -22.063 1.468 -5.512 13 HE ARG 6 HE ARG 6 -22.433 0.420 -3.213 14 HH11 ARG 6 1HH1 ARG 6 -19.413 1.956 -4.144 15 HH12 ARG 6 2HH1 ARG 6 -19.003 2.394 -2.519 16 HH21 ARG 6 1HH2 ARG 6 -21.875 1.004 -1.095 17 HH22 ARG 6 2HH2 ARG 6 -20.395 1.854 -0.795 18 H LEU 7 H LEU 7 -21.641 -1.349 -10.108 19 HA LEU 7 HA LEU 7 -24.455 -1.949 -10.648 20 HB2 LEU 7 2HB LEU 7 -22.380 -0.312 -12.080 21 HB3 LEU 7 1HB LEU 7 -23.897 -0.747 -12.844 22 HG LEU 7 HG LEU 7 -24.302 0.436 -10.217 23 HD11 LEU 7 1HD1 LEU 7 -22.278 1.660 -10.719 24 HD12 LEU 7 2HD1 LEU 7 -23.677 2.722 -10.882 25 HD13 LEU 7 3HD1 LEU 7 -22.893 2.071 -12.321 26 HD21 LEU 7 3HD2 LEU 7 -25.925 1.744 -11.413 27 HD22 LEU 7 1HD2 LEU 7 -26.020 0.074 -11.973 28 HD23 LEU 7 2HD2 LEU 7 -25.212 1.292 -12.960 29 H SER 8 H SER 8 -21.205 -2.765 -11.766 30 HA SER 8 HA SER 8 -22.264 -4.685 -13.700 31 HB2 SER 8 2HB SER 8 -19.398 -3.870 -13.149 32 HB3 SER 8 1HB SER 8 -19.954 -4.873 -14.489 33 HG SER 8 HG SER 8 -20.243 -3.074 -15.515 34 H ARG 9 H ARG 9 -21.437 -6.877 -13.765 35 HA ARG 9 HA ARG 9 -21.325 -8.064 -11.125 36 HB2 ARG 9 2HB ARG 9 -22.557 -8.851 -13.381 37 HB3 ARG 9 1HB ARG 9 -21.054 -9.741 -13.567 38 HG2 ARG 9 2HG ARG 9 -22.399 -9.958 -10.936 39 HG3 ARG 9 1HG ARG 9 -23.193 -10.732 -12.307 40 HD2 ARG 9 2HD ARG 9 -20.273 -11.156 -11.778 41 HD3 ARG 9 1HD ARG 9 -21.494 -12.095 -10.920 42 HE ARG 9 HE ARG 9 -22.287 -12.599 -13.338 43 HH11 ARG 9 1HH1 ARG 9 -18.939 -12.318 -12.319 44 HH12 ARG 9 2HH1 ARG 9 -18.355 -13.393 -13.546 45 HH21 ARG 9 1HH2 ARG 9 -21.500 -14.001 -14.937 46 HH22 ARG 9 2HH2 ARG 9 -19.804 -14.343 -15.026 47 H SER 10 H SER 10 -19.245 -7.838 -13.984 48 HA SER 10 HA SER 10 -16.995 -8.860 -12.375 49 HB2 SER 10 2HB SER 10 -17.814 -10.219 -14.430 50 HB3 SER 10 1HB SER 10 -17.039 -8.952 -15.382 51 HG SER 10 HG SER 10 -15.451 -10.393 -15.084 52 H GLY 11 H GLY 11 -18.054 -6.491 -14.761 53 HA2 GLY 11 2HA GLY 11 -17.152 -4.196 -14.305 54 HA3 GLY 11 1HA GLY 11 -15.568 -4.960 -14.291 55 H ALA 12 H ALA 12 -14.761 -3.731 -15.974 56 HA ALA 12 HA ALA 12 -16.068 -4.000 -18.590 57 HB1 ALA 12 3HB ALA 12 -15.657 -1.721 -18.038 58 HB2 ALA 12 1HB ALA 12 -14.484 -2.175 -19.275 59 HB3 ALA 12 2HB ALA 12 -13.988 -2.066 -17.586 60 H SER 13 H SER 13 -15.331 -5.470 -19.945 61 HA SER 13 HA SER 13 -12.488 -6.227 -19.836 62 HB2 SER 13 2HB SER 13 -14.435 -7.907 -19.035 63 HB3 SER 13 1HB SER 13 -14.432 -8.274 -20.759 64 HG SER 13 HG SER 13 -12.962 -9.596 -19.639 65 H SER 14 H SER 14 -15.414 -6.299 -21.890 66 HA SER 14 HA SER 14 -15.777 -6.073 -24.117 67 HB2 SER 14 2HB SER 14 -13.463 -4.230 -23.647 68 HB3 SER 14 1HB SER 14 -14.001 -4.514 -25.302 69 HG SER 14 HG SER 14 -16.176 -4.087 -23.927 70 H LEU 15 H LEU 15 -14.606 -6.211 -26.418 71 HA LEU 15 HA LEU 15 -13.261 -8.789 -26.433 72 HB2 LEU 15 2HB LEU 15 -14.790 -7.155 -28.359 73 HB3 LEU 15 1HB LEU 15 -13.495 -8.112 -29.052 74 HG LEU 15 HG LEU 15 -15.285 -9.565 -27.209 75 HD11 LEU 15 1HD1 LEU 15 -17.027 -8.364 -28.202 76 HD12 LEU 15 2HD1 LEU 15 -16.928 -9.852 -29.142 77 HD13 LEU 15 3HD1 LEU 15 -16.242 -8.357 -29.781 78 HD21 LEU 15 3HD2 LEU 15 -14.916 -11.345 -28.692 79 HD22 LEU 15 1HD2 LEU 15 -13.378 -10.486 -28.628 80 HD23 LEU 15 2HD2 LEU 15 -14.453 -10.266 -30.008 81 H TRP 16 H TRP 16 -11.816 -6.417 -25.496 82 HA TRP 16 HA TRP 16 -9.539 -6.512 -27.358 83 HB2 TRP 16 2HB TRP 16 -10.728 -4.088 -26.013 84 HB3 TRP 16 1HB TRP 16 -9.075 -4.105 -26.618 85 HD1 TRP 16 HD TRP 16 -12.693 -3.977 -27.783 86 HE1 TRP 16 1HE TRP 16 -12.753 -3.406 -30.290 87 HE3 TRP 16 3HE TRP 16 -7.692 -4.343 -28.831 88 HZ2 TRP 16 2HZ TRP 16 -10.933 -3.144 -32.427 89 HZ3 TRP 16 3HZ TRP 16 -6.940 -3.916 -31.134 90 HH2 TRP 16 HH TRP 16 -8.528 -3.329 -32.894 91 H ASP 17 H ASP 17 -7.524 -6.609 -26.431 92 HA ASP 17 HA ASP 17 -7.472 -7.068 -23.526 93 HB2 ASP 17 2HB ASP 17 -6.582 -8.684 -25.567 94 HB3 ASP 17 1HB ASP 17 -5.103 -7.880 -25.053 95 HA PRO 18 HA PRO 18 -5.015 -3.349 -23.142 96 HB2 PRO 18 2HB PRO 18 -4.094 -3.661 -20.611 97 HB3 PRO 18 1HB PRO 18 -5.770 -3.235 -20.972 98 HG2 PRO 18 2HG PRO 18 -4.601 -5.896 -20.258 99 HG3 PRO 18 1HG PRO 18 -6.114 -5.154 -19.706 100 HD2 PRO 18 2HD PRO 18 -6.001 -7.048 -21.667 101 HD3 PRO 18 1HD PRO 18 -7.261 -5.802 -21.587 102 H ALA 19 H ALA 19 -3.607 -4.487 -24.830 103 HA ALA 19 HA ALA 19 -0.993 -5.253 -23.710 104 HB1 ALA 19 3HB ALA 19 -2.193 -6.874 -25.215 105 HB2 ALA 19 1HB ALA 19 -0.550 -6.457 -25.702 106 HB3 ALA 19 2HB ALA 19 -1.927 -5.728 -26.528 107 H SER 20 H SER 20 -2.638 -2.841 -25.522 108 HA SER 20 HA SER 20 -0.131 -1.688 -26.508 109 HB2 SER 20 2HB SER 20 -2.781 -1.836 -27.580 110 HB3 SER 20 1HB SER 20 -2.338 -0.140 -27.385 111 HG SER 20 HG SER 20 -0.925 -0.340 -28.932 112 HA PRO 21 HA PRO 21 -2.097 2.019 -24.003 113 HB2 PRO 21 2HB PRO 21 -3.949 0.738 -22.107 114 HB3 PRO 21 1HB PRO 21 -4.193 2.160 -23.125 115 HG2 PRO 21 2HG PRO 21 -5.438 -0.150 -23.650 116 HG3 PRO 21 1HG PRO 21 -4.851 0.899 -24.956 117 HD2 PRO 21 2HD PRO 21 -3.597 -1.580 -23.813 118 HD3 PRO 21 1HD PRO 21 -3.812 -1.113 -25.516 119 H ALA 22 H ALA 22 -1.197 -1.040 -22.729 120 HA ALA 22 HA ALA 22 -0.231 0.149 -20.225 121 HB1 ALA 22 3HB ALA 22 -1.635 -1.921 -20.130 122 HB2 ALA 22 1HB ALA 22 -0.064 -2.067 -19.345 123 HB3 ALA 22 2HB ALA 22 -0.324 -2.779 -20.936 124 HA PRO 23 HA PRO 23 3.731 -0.121 -22.491 125 HB2 PRO 23 2HB PRO 23 4.831 2.162 -21.573 126 HB3 PRO 23 1HB PRO 23 3.638 2.143 -22.874 127 HG2 PRO 23 2HG PRO 23 3.323 2.934 -20.030 128 HG3 PRO 23 1HG PRO 23 2.475 3.532 -21.464 129 HD2 PRO 23 2HD PRO 23 1.514 1.638 -19.600 130 HD3 PRO 23 1HD PRO 23 0.792 2.039 -21.169 131 H THR 24 H THR 24 3.481 0.884 -19.071 132 HA THR 24 HA THR 24 5.529 -1.082 -18.357 133 HB THR 24 HB THR 24 6.470 0.693 -16.720 134 HG1 THR 24 1HG THR 24 6.136 2.720 -18.438 135 HG21 THR 24 1HG2 THR 24 8.072 1.491 -18.416 136 HG22 THR 24 2HG2 THR 24 7.015 0.874 -19.686 137 HG23 THR 24 3HG2 THR 24 7.770 -0.242 -18.549 138 H SER 25 H SER 25 5.561 -1.632 -16.099 139 HA SER 25 HA SER 25 3.057 -0.983 -14.684 140 HB2 SER 25 2HB SER 25 4.284 -3.586 -15.332 141 HB3 SER 25 1HB SER 25 3.702 -3.425 -13.675 142 HG SER 25 HG SER 25 1.930 -2.436 -15.483 143 H GLY 26 H GLY 26 6.494 -1.234 -14.528 144 HA2 GLY 26 2HA GLY 26 6.777 0.228 -12.176 145 HA3 GLY 26 1HA GLY 26 6.831 -1.466 -11.722 146 HA PRO 27 HA PRO 27 10.748 -0.449 -14.476 147 HB2 PRO 27 2HB PRO 27 11.297 2.348 -13.793 148 HB3 PRO 27 1HB PRO 27 11.219 1.584 -15.382 149 HG2 PRO 27 2HG PRO 27 9.339 3.322 -14.538 150 HG3 PRO 27 1HG PRO 27 8.950 1.949 -15.591 151 HD2 PRO 27 2HD PRO 27 8.581 2.226 -12.625 152 HD3 PRO 27 1HD PRO 27 7.468 1.561 -13.842 153 H ARG 28 H ARG 28 10.417 1.507 -11.499 154 HA ARG 28 HA ARG 28 12.642 0.002 -10.318 155 HB2 ARG 28 2HB ARG 28 12.397 2.984 -10.556 156 HB3 ARG 28 1HB ARG 28 13.247 2.281 -9.187 157 HG2 ARG 28 2HG ARG 28 14.625 1.008 -10.918 158 HG3 ARG 28 1HG ARG 28 13.945 2.129 -12.097 159 HD2 ARG 28 2HD ARG 28 14.783 4.004 -10.666 160 HD3 ARG 28 1HD ARG 28 15.614 2.801 -9.681 161 HE ARG 28 HE ARG 28 16.242 2.632 -12.480 162 HH11 ARG 28 1HH1 ARG 28 17.119 4.207 -9.467 163 HH12 ARG 28 2HH1 ARG 28 18.730 4.568 -9.993 164 HH21 ARG 28 1HH2 ARG 28 18.354 3.116 -13.147 165 HH22 ARG 28 2HH2 ARG 28 19.426 3.952 -12.075 166 HA PRO 29 HA PRO 29 9.553 -0.217 -7.060 167 HB2 PRO 29 2HB PRO 29 10.927 -1.710 -5.279 168 HB3 PRO 29 1HB PRO 29 10.238 -2.392 -6.755 169 HG2 PRO 29 2HG PRO 29 13.063 -1.608 -6.166 170 HG3 PRO 29 1HG PRO 29 12.452 -3.017 -7.052 171 HD2 PRO 29 2HD PRO 29 13.434 -0.752 -8.256 172 HD3 PRO 29 1HD PRO 29 12.266 -1.851 -9.013 173 H ARG 30 H ARG 30 9.033 1.305 -5.648 174 HA ARG 30 HA ARG 30 10.897 2.214 -3.616 175 HB2 ARG 30 2HB ARG 30 9.987 3.945 -5.869 176 HB3 ARG 30 1HB ARG 30 10.043 4.654 -4.255 177 HG2 ARG 30 2HG ARG 30 12.454 3.162 -5.053 178 HG3 ARG 30 1HG ARG 30 12.127 4.626 -5.984 179 HD2 ARG 30 2HD ARG 30 11.951 5.891 -3.869 180 HD3 ARG 30 1HD ARG 30 12.366 4.424 -2.983 181 HE ARG 30 HE ARG 30 14.557 4.528 -3.920 182 HH11 ARG 30 1HH1 ARG 30 12.622 7.377 -4.616 183 HH12 ARG 30 2HH1 ARG 30 13.999 8.362 -4.983 184 HH21 ARG 30 1HH2 ARG 30 16.342 5.837 -4.405 185 HH22 ARG 30 2HH2 ARG 30 16.101 7.490 -4.864 186 H LEU 31 H LEU 31 9.804 3.832 -2.138 187 HA LEU 31 HA LEU 31 6.910 3.774 -2.034 188 HB2 LEU 31 2HB LEU 31 8.632 2.109 -0.305 189 HB3 LEU 31 1HB LEU 31 7.446 3.066 0.541 190 HG LEU 31 HG LEU 31 6.300 1.086 0.290 191 HD11 LEU 31 1HD1 LEU 31 5.118 3.009 -0.920 192 HD12 LEU 31 2HD1 LEU 31 4.541 1.363 -1.180 193 HD13 LEU 31 3HD1 LEU 31 5.539 2.147 -2.401 194 HD21 LEU 31 3HD2 LEU 31 6.397 -0.340 -1.728 195 HD22 LEU 31 1HD2 LEU 31 7.950 -0.143 -0.914 196 HD23 LEU 31 2HD2 LEU 31 7.610 0.755 -2.394 197 H TRP 32 H TRP 32 6.458 5.846 -1.744 198 HA TRP 32 HA TRP 32 7.609 7.306 0.489 199 HB2 TRP 32 2HB TRP 32 8.317 9.243 -0.840 200 HB3 TRP 32 1HB TRP 32 9.201 7.808 -1.331 201 HD1 TRP 32 HD TRP 32 8.010 6.585 -3.664 202 HE1 TRP 32 1HE TRP 32 7.255 7.800 -5.798 203 HE3 TRP 32 3HE TRP 32 7.531 11.332 -1.796 204 HZ2 TRP 32 2HZ TRP 32 6.560 10.411 -6.598 205 HZ3 TRP 32 3HZ TRP 32 6.820 13.127 -3.319 206 HH2 TRP 32 HH TRP 32 6.345 12.675 -5.670 207 H GLU 33 H GLU 33 6.483 9.403 0.874 208 HA GLU 33 HA GLU 33 3.679 9.093 0.778 209 HB2 GLU 33 2HB GLU 33 5.505 11.330 1.580 210 HB3 GLU 33 1HB GLU 33 3.770 11.603 1.494 211 HG2 GLU 33 2HG GLU 33 3.490 9.644 3.040 212 HG3 GLU 33 1HG GLU 33 5.241 9.658 3.249 213 H GLY 34 H GLY 34 2.374 9.329 -0.886 214 HA2 GLY 34 2HA GLY 34 1.258 10.596 -2.535 215 HA3 GLY 34 1HA GLY 34 2.690 11.597 -2.713 216 H GLN 35 H GLN 35 2.816 8.106 -2.649 217 HA GLN 35 HA GLN 35 3.766 8.119 -5.425 218 HB2 GLN 35 2HB GLN 35 5.458 7.148 -4.170 219 HB3 GLN 35 1HB GLN 35 4.342 6.465 -2.996 220 HG2 GLN 35 2HG GLN 35 4.598 4.479 -3.968 221 HG3 GLN 35 1HG GLN 35 3.851 5.129 -5.432 222 HE21 GLN 35 1HE2 GLN 35 6.130 3.235 -4.736 223 HE22 GLN 35 2HE2 GLN 35 7.423 3.748 -5.752 224 H ASP 36 H ASP 36 2.369 7.475 -6.943 225 HA ASP 36 HA ASP 36 -0.105 6.194 -6.304 226 HB2 ASP 36 2HB ASP 36 1.239 6.729 -8.956 227 HB3 ASP 36 1HB ASP 36 -0.335 5.965 -8.817 228 H VAL 37 H VAL 37 -0.208 4.213 -5.650 229 HA VAL 37 HA VAL 37 1.660 2.211 -6.717 230 HB VAL 37 HB VAL 37 1.193 0.953 -4.603 231 HG11 VAL 37 1HG1 VAL 37 2.679 2.316 -3.207 232 HG12 VAL 37 2HG1 VAL 37 2.441 3.674 -4.305 233 HG13 VAL 37 3HG1 VAL 37 3.240 2.210 -4.875 234 HG21 VAL 37 3HG2 VAL 37 0.046 1.844 -2.782 235 HG22 VAL 37 1HG2 VAL 37 -0.954 2.341 -4.145 236 HG23 VAL 37 2HG2 VAL 37 0.145 3.495 -3.392 237 H LEU 38 H LEU 38 0.922 0.001 -6.686 238 HA LEU 38 HA LEU 38 -1.946 -0.276 -7.265 239 HB2 LEU 38 2HB LEU 38 0.412 -1.634 -8.555 240 HB3 LEU 38 1HB LEU 38 -1.251 -2.126 -8.810 241 HG LEU 38 HG LEU 38 -0.260 0.649 -9.445 242 HD11 LEU 38 1HD1 LEU 38 -0.505 -0.395 -11.863 243 HD12 LEU 38 2HD1 LEU 38 -0.049 -1.864 -11.000 244 HD13 LEU 38 3HD1 LEU 38 1.013 -0.457 -10.966 245 HD21 LEU 38 3HD2 LEU 38 -2.418 1.028 -9.779 246 HD22 LEU 38 1HD2 LEU 38 -2.811 -0.661 -9.464 247 HD23 LEU 38 2HD2 LEU 38 -2.375 -0.145 -11.094 248 H ALA 39 H ALA 39 -2.691 -1.014 -5.463 249 HA ALA 39 HA ALA 39 -1.294 -3.063 -3.931 250 HB1 ALA 39 3HB ALA 39 -2.482 -2.305 -2.142 251 HB2 ALA 39 1HB ALA 39 -3.945 -2.040 -3.080 252 HB3 ALA 39 2HB ALA 39 -2.632 -0.865 -3.143 253 H ARG 40 H ARG 40 -1.574 -5.039 -4.713 254 HA ARG 40 HA ARG 40 -3.807 -5.916 -6.237 255 HB2 ARG 40 2HB ARG 40 -1.235 -6.803 -5.748 256 HB3 ARG 40 1HB ARG 40 -2.227 -7.999 -4.941 257 HG2 ARG 40 2HG ARG 40 -3.283 -8.649 -6.924 258 HG3 ARG 40 1HG ARG 40 -2.761 -7.198 -7.775 259 HD2 ARG 40 2HD ARG 40 -0.846 -9.279 -6.749 260 HD3 ARG 40 1HD ARG 40 -1.544 -9.323 -8.365 261 HE ARG 40 HE ARG 40 0.156 -7.119 -7.387 262 HH11 ARG 40 1HH1 ARG 40 -0.862 -9.262 -9.980 263 HH12 ARG 40 2HH1 ARG 40 0.236 -8.577 -11.129 264 HH21 ARG 40 1HH2 ARG 40 1.586 -6.241 -8.911 265 HH22 ARG 40 2HH2 ARG 40 1.620 -6.871 -10.524 266 H TRP 41 H TRP 41 -5.689 -6.774 -5.612 267 HA TRP 41 HA TRP 41 -6.165 -7.186 -2.762 268 HB2 TRP 41 2HB TRP 41 -7.670 -5.710 -4.100 269 HB3 TRP 41 1HB TRP 41 -8.188 -7.113 -5.025 270 HD1 TRP 41 HD TRP 41 -10.409 -8.039 -4.209 271 HE1 TRP 41 1HE TRP 41 -11.701 -8.128 -1.986 272 HE3 TRP 41 3HE TRP 41 -7.002 -5.700 -1.186 273 HZ2 TRP 41 2HZ TRP 41 -11.332 -7.315 0.687 274 HZ3 TRP 41 3HZ TRP 41 -7.555 -5.396 1.191 275 HH2 TRP 41 HH TRP 41 -9.676 -6.186 2.106 276 H THR 42 H THR 42 -7.437 -9.033 -2.035 277 HA THR 42 HA THR 42 -6.287 -11.480 -2.943 278 HB THR 42 HB THR 42 -6.621 -11.168 -0.581 279 HG1 THR 42 1HG THR 42 -8.513 -13.133 -0.853 280 HG21 THR 42 1HG2 THR 42 -8.497 -9.794 -0.293 281 HG22 THR 42 2HG2 THR 42 -9.029 -11.358 0.327 282 HG23 THR 42 3HG2 THR 42 -9.527 -10.830 -1.281 283 H ASP 43 H ASP 43 -8.973 -9.857 -4.121 284 HA ASP 43 HA ASP 43 -10.471 -12.277 -4.782 285 HB2 ASP 43 2HB ASP 43 -11.461 -9.960 -4.033 286 HB3 ASP 43 1HB ASP 43 -11.271 -9.551 -5.739 287 H GLY 44 H GLY 44 -7.839 -10.823 -6.015 288 HA2 GLY 44 2HA GLY 44 -6.798 -11.579 -8.014 289 HA3 GLY 44 1HA GLY 44 -8.388 -11.847 -8.707 290 H LEU 45 H LEU 45 -8.961 -9.002 -7.468 291 HA LEU 45 HA LEU 45 -8.237 -7.583 -9.902 292 HB2 LEU 45 2HB LEU 45 -10.303 -7.289 -7.805 293 HB3 LEU 45 1HB LEU 45 -9.692 -5.792 -8.478 294 HG LEU 45 HG LEU 45 -11.766 -6.536 -9.570 295 HD11 LEU 45 1HD1 LEU 45 -11.166 -5.943 -11.705 296 HD12 LEU 45 2HD1 LEU 45 -9.647 -6.837 -11.646 297 HD13 LEU 45 3HD1 LEU 45 -9.812 -5.317 -10.764 298 HD21 LEU 45 3HD2 LEU 45 -10.547 -8.691 -11.117 299 HD22 LEU 45 1HD2 LEU 45 -12.144 -8.584 -10.376 300 HD23 LEU 45 2HD2 LEU 45 -10.753 -9.070 -9.407 301 H LEU 46 H LEU 46 -7.211 -5.622 -9.960 302 HA LEU 46 HA LEU 46 -5.263 -5.138 -7.858 303 HB2 LEU 46 2HB LEU 46 -4.663 -5.214 -10.305 304 HB3 LEU 46 1HB LEU 46 -5.645 -3.782 -10.531 305 HG LEU 46 HG LEU 46 -4.079 -2.568 -8.992 306 HD11 LEU 46 1HD1 LEU 46 -3.060 -5.192 -8.606 307 HD12 LEU 46 2HD1 LEU 46 -2.542 -3.691 -7.847 308 HD13 LEU 46 3HD1 LEU 46 -1.805 -4.217 -9.363 309 HD21 LEU 46 3HD2 LEU 46 -3.642 -1.970 -11.110 310 HD22 LEU 46 1HD2 LEU 46 -3.534 -3.631 -11.677 311 HD23 LEU 46 2HD2 LEU 46 -2.166 -2.890 -10.846 312 H TYR 47 H TYR 47 -4.843 -2.875 -7.159 313 HA TYR 47 HA TYR 47 -7.224 -1.152 -7.121 314 HB2 TYR 47 2HB TYR 47 -5.647 -2.090 -4.714 315 HB3 TYR 47 1HB TYR 47 -6.654 -0.655 -4.679 316 HD1 TYR 47 1HD TYR 47 -8.652 -2.681 -6.620 317 HD2 TYR 47 2HD TYR 47 -7.104 -2.514 -2.658 318 HE1 TYR 47 1HE TYR 47 -10.553 -4.000 -5.831 319 HE2 TYR 47 2HE TYR 47 -9.005 -3.849 -1.865 320 HH TYR 47 HH TYR 47 -11.213 -4.454 -2.477 321 H LEU 48 H LEU 48 -6.728 0.933 -7.516 322 HA LEU 48 HA LEU 48 -3.899 1.674 -7.619 323 HB2 LEU 48 2HB LEU 48 -5.169 2.081 -9.654 324 HB3 LEU 48 1HB LEU 48 -6.355 3.021 -8.767 325 HG LEU 48 HG LEU 48 -4.437 4.652 -8.254 326 HD11 LEU 48 1HD1 LEU 48 -3.159 3.152 -10.539 327 HD12 LEU 48 2HD1 LEU 48 -2.581 3.190 -8.873 328 HD13 LEU 48 3HD1 LEU 48 -2.584 4.666 -9.838 329 HD21 LEU 48 3HD2 LEU 48 -4.728 5.798 -10.379 330 HD22 LEU 48 1HD2 LEU 48 -6.255 5.113 -9.824 331 HD23 LEU 48 2HD2 LEU 48 -5.347 4.317 -11.109 332 H GLY 49 H GLY 49 -2.995 3.122 -6.297 333 HA2 GLY 49 2HA GLY 49 -4.647 4.900 -4.694 334 HA3 GLY 49 1HA GLY 49 -3.790 3.664 -3.805 335 H THR 50 H THR 50 -3.185 5.945 -2.928 336 HA THR 50 HA THR 50 -0.522 6.569 -4.012 337 HB THR 50 HB THR 50 -1.619 8.869 -2.648 338 HG1 THR 50 1HG THR 50 -2.964 8.205 -5.069 339 HG21 THR 50 1HG2 THR 50 0.351 8.886 -4.101 340 HG22 THR 50 2HG2 THR 50 -0.875 10.006 -4.695 341 HG23 THR 50 3HG2 THR 50 -0.653 8.443 -5.482 342 H ILE 51 H ILE 51 1.056 6.783 -2.505 343 HA ILE 51 HA ILE 51 0.583 5.534 -0.002 344 HB ILE 51 HB ILE 51 3.084 6.851 -1.057 345 HG12 ILE 51 2HG1 ILE 51 2.194 4.958 -2.401 346 HG13 ILE 51 1HG1 ILE 51 3.769 4.612 -1.705 347 HG21 ILE 51 1HG2 ILE 51 4.235 5.308 0.622 348 HG22 ILE 51 2HG2 ILE 51 2.662 5.164 1.404 349 HG23 ILE 51 3HG2 ILE 51 3.440 6.741 1.275 350 HD11 ILE 51 3HD1 ILE 51 1.900 3.671 0.153 351 HD12 ILE 51 1HD1 ILE 51 2.908 2.718 -0.927 352 HD13 ILE 51 2HD1 ILE 51 1.295 3.192 -1.430 353 H LYS 52 H LYS 52 -0.217 6.355 1.707 354 HA LYS 52 HA LYS 52 0.014 9.201 2.303 355 HB2 LYS 52 2HB LYS 52 -2.118 7.568 2.474 356 HB3 LYS 52 1HB LYS 52 -1.480 7.362 4.099 357 HG2 LYS 52 2HG LYS 52 -2.812 9.133 4.528 358 HG3 LYS 52 1HG LYS 52 -1.416 10.032 3.935 359 HD2 LYS 52 2HD LYS 52 -2.578 9.682 1.604 360 HD3 LYS 52 1HD LYS 52 -4.023 9.473 2.598 361 HE2 LYS 52 2HE LYS 52 -3.666 11.649 3.615 362 HE3 LYS 52 1HE LYS 52 -2.171 11.852 2.704 363 HZ1 LYS 52 3HZ LYS 52 -4.931 12.117 1.823 364 HZ2 LYS 52 1HZ LYS 52 -3.861 11.408 0.719 365 HZ3 LYS 52 2HZ LYS 52 -3.550 12.956 1.325 366 H LYS 53 H LYS 53 1.058 6.051 3.433 367 HA LYS 53 HA LYS 53 2.952 7.323 5.259 368 HB2 LYS 53 2HB LYS 53 0.635 6.143 6.238 369 HB3 LYS 53 1HB LYS 53 1.847 4.884 6.412 370 HG2 LYS 53 2HG LYS 53 3.217 6.957 7.435 371 HG3 LYS 53 1HG LYS 53 1.576 7.461 7.831 372 HD2 LYS 53 2HD LYS 53 2.716 4.748 8.513 373 HD3 LYS 53 1HD LYS 53 2.736 6.126 9.612 374 HE2 LYS 53 2HE LYS 53 0.412 6.127 9.847 375 HE3 LYS 53 1HE LYS 53 0.180 5.189 8.368 376 HZ1 LYS 53 3HZ LYS 53 1.672 3.911 10.526 377 HZ2 LYS 53 1HZ LYS 53 0.565 3.245 9.433 378 HZ3 LYS 53 2HZ LYS 53 0.012 4.118 10.772 379 H VAL 54 H VAL 54 4.630 5.770 5.998 380 HA VAL 54 HA VAL 54 5.027 3.491 4.197 381 HB VAL 54 HB VAL 54 7.075 5.698 4.588 382 HG11 VAL 54 1HG1 VAL 54 7.549 3.324 2.829 383 HG12 VAL 54 2HG1 VAL 54 7.910 3.224 4.551 384 HG13 VAL 54 3HG1 VAL 54 8.716 4.432 3.550 385 HG21 VAL 54 3HG2 VAL 54 6.740 6.321 2.411 386 HG22 VAL 54 1HG2 VAL 54 5.117 5.753 2.802 387 HG23 VAL 54 2HG2 VAL 54 6.226 4.710 1.913 388 H ASP 55 H ASP 55 5.849 1.768 5.133 389 HA ASP 55 HA ASP 55 7.085 1.994 7.794 390 HB2 ASP 55 2HB ASP 55 4.887 0.214 6.819 391 HB3 ASP 55 1HB ASP 55 6.053 -0.473 7.953 392 H SER 56 H SER 56 9.119 2.056 6.742 393 HA SER 56 HA SER 56 10.000 -0.033 4.987 394 HB2 SER 56 2HB SER 56 11.648 2.059 6.422 395 HB3 SER 56 1HB SER 56 12.146 1.104 5.025 396 HG SER 56 HG SER 56 9.907 2.228 4.321 397 H ALA 57 H ALA 57 9.484 -0.116 8.240 398 HA ALA 57 HA ALA 57 11.837 -1.666 8.970 399 HB1 ALA 57 3HB ALA 57 9.424 -1.113 10.680 400 HB2 ALA 57 1HB ALA 57 10.769 0.014 10.506 401 HB3 ALA 57 2HB ALA 57 11.042 -1.582 11.202 402 H ARG 58 H ARG 58 8.369 -2.157 8.472 403 HA ARG 58 HA ARG 58 8.744 -5.062 8.766 404 HB2 ARG 58 2HB ARG 58 6.403 -3.246 9.207 405 HB3 ARG 58 1HB ARG 58 6.127 -4.942 8.836 406 HG2 ARG 58 2HG ARG 58 7.328 -5.636 10.783 407 HG3 ARG 58 1HG ARG 58 7.856 -3.984 11.105 408 HD2 ARG 58 2HD ARG 58 6.093 -4.257 12.587 409 HD3 ARG 58 1HD ARG 58 5.328 -3.448 11.222 410 HE ARG 58 HE ARG 58 5.216 -6.370 11.356 411 HH11 ARG 58 1HH1 ARG 58 3.519 -3.307 11.625 412 HH12 ARG 58 2HH1 ARG 58 1.951 -4.038 11.539 413 HH21 ARG 58 1HH2 ARG 58 3.153 -7.304 11.247 414 HH22 ARG 58 2HH2 ARG 58 1.745 -6.298 11.325 415 H GLU 59 H GLU 59 8.936 -2.969 6.365 416 HA GLU 59 HA GLU 59 8.677 -2.968 4.109 417 HB2 GLU 59 2HB GLU 59 8.316 -5.913 4.650 418 HB3 GLU 59 1HB GLU 59 8.237 -5.260 3.019 419 HG2 GLU 59 2HG GLU 59 10.589 -4.476 4.616 420 HG3 GLU 59 1HG GLU 59 10.494 -6.176 4.143 421 H VAL 60 H VAL 60 6.580 -1.977 5.425 422 HA VAL 60 HA VAL 60 4.280 -2.731 3.747 423 HB VAL 60 HB VAL 60 3.757 -1.719 6.513 424 HG11 VAL 60 1HG1 VAL 60 1.865 -1.855 5.102 425 HG12 VAL 60 2HG1 VAL 60 1.745 -3.181 6.258 426 HG13 VAL 60 3HG1 VAL 60 2.271 -3.497 4.606 427 HG21 VAL 60 3HG2 VAL 60 4.872 -4.381 5.920 428 HG22 VAL 60 1HG2 VAL 60 3.439 -4.369 6.946 429 HG23 VAL 60 2HG2 VAL 60 4.874 -3.463 7.426 430 H CYS 61 H CYS 61 2.651 -0.951 3.590 431 HA CYS 61 HA CYS 61 3.466 1.745 4.271 432 HB2 CYS 61 2HB CYS 61 3.599 0.732 1.457 433 HB3 CYS 61 1HB CYS 61 3.024 2.372 1.742 434 HG CYS 61 HG CYS 61 5.486 3.115 1.344 435 H LEU 62 H LEU 62 1.772 3.163 4.315 436 HA LEU 62 HA LEU 62 -0.880 1.999 3.890 437 HB2 LEU 62 2HB LEU 62 0.077 3.520 5.963 438 HB3 LEU 62 1HB LEU 62 -0.707 4.727 4.973 439 HG LEU 62 HG LEU 62 -2.355 4.136 6.511 440 HD11 LEU 62 1HD1 LEU 62 -3.339 2.103 4.631 441 HD12 LEU 62 2HD1 LEU 62 -2.875 3.636 3.894 442 HD13 LEU 62 3HD1 LEU 62 -4.084 3.606 5.177 443 HD21 LEU 62 3HD2 LEU 62 -1.422 2.312 7.636 444 HD22 LEU 62 1HD2 LEU 62 -1.396 1.315 6.181 445 HD23 LEU 62 2HD2 LEU 62 -2.931 1.705 6.957 446 H VAL 63 H VAL 63 -2.244 2.717 2.362 447 HA VAL 63 HA VAL 63 -1.480 5.079 0.817 448 HB VAL 63 HB VAL 63 -0.798 3.896 -0.948 449 HG11 VAL 63 1HG1 VAL 63 -1.545 1.557 0.727 450 HG12 VAL 63 2HG1 VAL 63 0.042 2.085 0.170 451 HG13 VAL 63 3HG1 VAL 63 -1.078 1.318 -0.954 452 HG21 VAL 63 3HG2 VAL 63 -3.101 4.131 -1.728 453 HG22 VAL 63 1HG2 VAL 63 -3.487 2.561 -1.025 454 HG23 VAL 63 2HG2 VAL 63 -2.326 2.672 -2.347 455 H GLN 64 H GLN 64 -3.094 6.215 -0.105 456 HA GLN 64 HA GLN 64 -5.812 5.609 0.772 457 HB2 GLN 64 2HB GLN 64 -4.682 7.942 0.962 458 HB3 GLN 64 1HB GLN 64 -4.961 8.070 -0.768 459 HG2 GLN 64 2HG GLN 64 -7.095 8.644 -0.457 460 HG3 GLN 64 1HG GLN 64 -7.372 7.270 0.616 461 HE21 GLN 64 1HE2 GLN 64 -7.996 7.797 2.570 462 HE22 GLN 64 2HE2 GLN 64 -7.609 9.253 3.415 463 H PHE 65 H PHE 65 -7.440 5.094 -0.681 464 HA PHE 65 HA PHE 65 -6.488 4.456 -3.366 465 HB2 PHE 65 2HB PHE 65 -8.607 3.239 -1.620 466 HB3 PHE 65 1HB PHE 65 -8.416 2.822 -3.325 467 HD1 PHE 65 2HD PHE 65 -6.790 2.699 -0.012 468 HD2 PHE 65 1HD PHE 65 -6.625 1.520 -4.076 469 HE1 PHE 65 2HE PHE 65 -4.975 1.123 0.529 470 HE2 PHE 65 1HE PHE 65 -4.808 -0.050 -3.557 471 HZ PHE 65 HZ PHE 65 -3.993 -0.259 -1.253 472 H GLU 66 H GLU 66 -8.241 4.258 -5.050 473 HA GLU 66 HA GLU 66 -9.116 6.791 -5.803 474 HB2 GLU 66 2HB GLU 66 -9.797 4.032 -6.739 475 HB3 GLU 66 1HB GLU 66 -10.526 5.450 -7.479 476 HG2 GLU 66 2HG GLU 66 -7.552 5.009 -7.273 477 HG3 GLU 66 1HG GLU 66 -8.522 4.528 -8.666 478 H ASP 67 H ASP 67 -10.987 4.121 -4.333 479 HA ASP 67 HA ASP 67 -13.366 5.806 -4.314 480 HB2 ASP 67 2HB ASP 67 -13.419 3.376 -4.983 481 HB3 ASP 67 1HB ASP 67 -13.107 2.963 -3.305 482 H ASP 68 H ASP 68 -11.123 6.629 -2.710 483 HA ASP 68 HA ASP 68 -10.562 7.461 -0.690 484 HB2 ASP 68 2HB ASP 68 -13.544 7.607 -0.678 485 HB3 ASP 68 1HB ASP 68 -12.673 8.025 0.794 486 H SER 69 H SER 69 -9.815 5.030 -0.506 487 HA SER 69 HA SER 69 -10.799 4.063 2.098 488 HB2 SER 69 2HB SER 69 -11.193 2.644 -0.124 489 HB3 SER 69 1HB SER 69 -9.543 2.100 0.220 490 HG SER 69 HG SER 69 -10.902 0.737 1.300 491 H GLN 70 H GLN 70 -9.341 3.889 3.657 492 HA GLN 70 HA GLN 70 -6.501 4.173 2.984 493 HB2 GLN 70 2HB GLN 70 -8.165 4.835 5.345 494 HB3 GLN 70 1HB GLN 70 -6.573 4.188 5.714 495 HG2 GLN 70 2HG GLN 70 -6.873 6.442 3.771 496 HG3 GLN 70 1HG GLN 70 -6.894 6.740 5.508 497 HE21 GLN 70 1HE2 GLN 70 -4.975 6.647 2.853 498 HE22 GLN 70 2HE2 GLN 70 -3.436 6.407 3.612 499 H PHE 71 H PHE 71 -5.945 2.198 2.301 500 HA PHE 71 HA PHE 71 -6.395 -0.080 4.115 501 HB2 PHE 71 2HB PHE 71 -6.807 0.311 1.243 502 HB3 PHE 71 1HB PHE 71 -5.899 -1.148 1.599 503 HD1 PHE 71 1HD PHE 71 -8.386 -0.158 4.108 504 HD2 PHE 71 2HD PHE 71 -7.777 -2.286 0.472 505 HE1 PHE 71 1HE PHE 71 -10.502 -1.351 4.456 506 HE2 PHE 71 2HE PHE 71 -9.890 -3.489 0.822 507 HZ PHE 71 HZ PHE 71 -11.258 -3.020 2.814 508 H LEU 72 H LEU 72 -4.679 -0.973 4.972 509 HA LEU 72 HA LEU 72 -2.048 -0.114 4.292 510 HB2 LEU 72 2HB LEU 72 -1.265 -1.462 6.133 511 HB3 LEU 72 1HB LEU 72 -2.658 -0.525 6.616 512 HG LEU 72 HG LEU 72 -3.085 -2.503 7.687 513 HD11 LEU 72 1HD1 LEU 72 -4.339 -2.887 4.988 514 HD12 LEU 72 2HD1 LEU 72 -5.056 -2.173 6.432 515 HD13 LEU 72 3HD1 LEU 72 -4.699 -3.899 6.386 516 HD21 LEU 72 3HD2 LEU 72 -2.675 -4.747 6.340 517 HD22 LEU 72 1HD2 LEU 72 -1.400 -3.944 7.257 518 HD23 LEU 72 2HD2 LEU 72 -1.502 -3.727 5.509 519 H VAL 73 H VAL 73 -0.701 -0.934 2.854 520 HA VAL 73 HA VAL 73 -1.139 -3.723 1.971 521 HB VAL 73 HB VAL 73 0.131 -1.893 0.019 522 HG11 VAL 73 1HG1 VAL 73 -0.432 -4.419 -0.169 523 HG12 VAL 73 2HG1 VAL 73 -0.685 -3.364 -1.556 524 HG13 VAL 73 3HG1 VAL 73 -2.054 -3.847 -0.553 525 HG21 VAL 73 3HG2 VAL 73 -1.763 -0.769 -0.700 526 HG22 VAL 73 1HG2 VAL 73 -1.945 -0.708 1.051 527 HG23 VAL 73 2HG2 VAL 73 -2.861 -1.884 0.110 528 H LEU 74 H LEU 74 0.566 -4.940 1.320 529 HA LEU 74 HA LEU 74 3.090 -4.377 2.631 530 HB2 LEU 74 2HB LEU 74 1.563 -6.686 1.923 531 HB3 LEU 74 1HB LEU 74 3.128 -6.812 1.150 532 HG LEU 74 HG LEU 74 4.233 -6.611 3.338 533 HD11 LEU 74 1HD1 LEU 74 1.588 -5.806 4.171 534 HD12 LEU 74 2HD1 LEU 74 3.135 -5.632 5.001 535 HD13 LEU 74 3HD1 LEU 74 2.210 -7.125 5.163 536 HD21 LEU 74 3HD2 LEU 74 2.105 -8.724 3.505 537 HD22 LEU 74 1HD2 LEU 74 3.769 -8.794 4.084 538 HD23 LEU 74 2HD2 LEU 74 3.436 -8.808 2.352 539 H TRP 75 H TRP 75 5.078 -4.237 1.600 540 HA TRP 75 HA TRP 75 5.216 -2.972 -0.893 541 HB2 TRP 75 2HB TRP 75 7.339 -4.388 0.717 542 HB3 TRP 75 1HB TRP 75 7.695 -3.504 -0.756 543 HD1 TRP 75 HD TRP 75 5.136 -1.945 1.613 544 HE1 TRP 75 1HE TRP 75 6.178 0.121 2.723 545 HE3 TRP 75 3HE TRP 75 10.000 -2.526 0.080 546 HZ2 TRP 75 2HZ TRP 75 8.705 1.341 2.944 547 HZ3 TRP 75 3HZ TRP 75 11.660 -0.858 0.799 548 HH2 TRP 75 HH TRP 75 11.022 1.035 2.203 549 H LYS 76 H LYS 76 4.821 -6.272 -0.218 550 HA LYS 76 HA LYS 76 6.022 -7.305 -2.648 551 HB2 LYS 76 2HB LYS 76 4.358 -8.563 -0.460 552 HB3 LYS 76 1HB LYS 76 4.910 -9.455 -1.869 553 HG2 LYS 76 2HG LYS 76 6.520 -9.994 -0.332 554 HG3 LYS 76 1HG LYS 76 7.269 -8.614 -1.131 555 HD2 LYS 76 2HD LYS 76 7.574 -7.860 0.981 556 HD3 LYS 76 1HD LYS 76 5.884 -7.371 0.851 557 HE2 LYS 76 2HE LYS 76 5.720 -8.542 2.790 558 HE3 LYS 76 1HE LYS 76 5.539 -9.898 1.675 559 HZ1 LYS 76 3HZ LYS 76 8.221 -9.697 1.942 560 HZ2 LYS 76 1HZ LYS 76 7.237 -10.775 2.799 561 HZ3 LYS 76 2HZ LYS 76 7.683 -9.300 3.496 562 H ASP 77 H ASP 77 2.788 -6.689 -1.371 563 HA ASP 77 HA ASP 77 1.444 -7.551 -3.791 564 HB2 ASP 77 2HB ASP 77 0.664 -6.775 -1.061 565 HB3 ASP 77 1HB ASP 77 -0.484 -6.320 -2.312 566 H ILE 78 H ILE 78 3.189 -4.892 -3.210 567 HA ILE 78 HA ILE 78 1.321 -3.023 -4.487 568 HB ILE 78 HB ILE 78 3.832 -2.493 -2.890 569 HG12 ILE 78 2HG1 ILE 78 1.040 -1.483 -2.359 570 HG13 ILE 78 1HG1 ILE 78 1.552 -3.077 -1.820 571 HG21 ILE 78 1HG2 ILE 78 4.070 -0.627 -4.134 572 HG22 ILE 78 2HG2 ILE 78 2.649 -0.043 -3.269 573 HG23 ILE 78 3HG2 ILE 78 2.470 -0.801 -4.853 574 HD11 ILE 78 3HD1 ILE 78 2.417 -2.194 -0.014 575 HD12 ILE 78 1HD1 ILE 78 1.923 -0.590 -0.557 576 HD13 ILE 78 2HD1 ILE 78 3.509 -1.219 -0.998 577 H SER 79 H SER 79 1.718 -2.074 -6.382 578 HA SER 79 HA SER 79 4.236 -2.627 -7.797 579 HB2 SER 79 2HB SER 79 1.773 -3.785 -8.449 580 HB3 SER 79 1HB SER 79 1.944 -2.455 -9.600 581 HG SER 79 HG SER 79 3.887 -4.469 -9.100 582 HA PRO 80 HA PRO 80 3.881 1.957 -7.767 583 HB2 PRO 80 2HB PRO 80 6.295 1.604 -9.487 584 HB3 PRO 80 1HB PRO 80 6.033 2.705 -8.130 585 HG2 PRO 80 2HG PRO 80 7.512 0.541 -7.796 586 HG3 PRO 80 1HG PRO 80 6.351 1.026 -6.543 587 HD2 PRO 80 2HD PRO 80 6.132 -1.152 -8.590 588 HD3 PRO 80 1HD PRO 80 5.636 -1.151 -6.884 589 H ALA 81 H ALA 81 2.489 2.946 -9.022 590 HA ALA 81 HA ALA 81 1.796 2.094 -11.644 591 HB1 ALA 81 3HB ALA 81 0.137 3.038 -10.167 592 HB2 ALA 81 1HB ALA 81 0.272 4.033 -11.617 593 HB3 ALA 81 2HB ALA 81 1.015 4.568 -10.110 594 H ALA 82 H ALA 82 2.499 2.733 -13.575 595 HA ALA 82 HA ALA 82 4.173 5.151 -13.762 596 HB1 ALA 82 3HB ALA 82 5.703 3.380 -13.956 597 HB2 ALA 82 1HB ALA 82 5.389 3.890 -15.614 598 HB3 ALA 82 2HB ALA 82 4.615 2.438 -14.976 599 H LEU 83 H LEU 83 4.167 6.236 -15.809 600 HA LEU 83 HA LEU 83 1.591 6.030 -17.169 601 HB2 LEU 83 2HB LEU 83 2.294 8.219 -18.217 602 HB3 LEU 83 1HB LEU 83 2.031 8.240 -16.487 603 HG LEU 83 HG LEU 83 4.827 7.770 -17.286 604 HD11 LEU 83 1HD1 LEU 83 5.223 10.140 -17.822 605 HD12 LEU 83 2HD1 LEU 83 3.480 10.405 -17.857 606 HD13 LEU 83 3HD1 LEU 83 4.233 9.327 -19.034 607 HD21 LEU 83 3HD2 LEU 83 3.698 9.867 -15.456 608 HD22 LEU 83 1HD2 LEU 83 5.294 9.117 -15.422 609 HD23 LEU 83 2HD2 LEU 83 3.871 8.183 -14.961 610 HA ALA 331 HA ALA 331 -12.699 12.260 -17.620 611 HB1 ALA 331 3HB ALA 331 -11.362 14.148 -17.008 612 HB2 ALA 331 1HB ALA 331 -12.645 14.786 -15.981 613 HB3 ALA 331 2HB ALA 331 -12.857 14.741 -17.730 614 H THR 332 H THR 332 -13.917 13.145 -14.406 615 HA THR 332 HA THR 332 -11.962 11.296 -13.200 616 HB THR 332 HB THR 332 -12.583 12.551 -11.033 617 HG1 THR 332 1HG THR 332 -14.353 13.700 -12.232 618 HG21 THR 332 1HG2 THR 332 -10.395 12.818 -11.864 619 HG22 THR 332 2HG2 THR 332 -11.005 14.459 -11.656 620 HG23 THR 332 3HG2 THR 332 -10.949 13.736 -13.264 621 H GLY 333 H GLY 333 -12.638 9.785 -11.701 622 HA2 GLY 333 2HA GLY 333 -15.552 9.477 -11.343 623 HA3 GLY 333 1HA GLY 333 -14.558 8.118 -11.843 624 H GLY 334 H GLY 334 -16.122 7.913 -9.618 625 HA2 GLY 334 2HA GLY 334 -14.399 8.365 -7.290 626 HA3 GLY 334 1HA GLY 334 -16.088 7.894 -7.248 627 H VAL 335 H VAL 335 -15.058 5.882 -9.488 628 HA VAL 335 HA VAL 335 -14.508 3.750 -7.568 629 HB VAL 335 HB VAL 335 -16.391 3.566 -9.250 630 HG11 VAL 335 1HG1 VAL 335 -15.822 2.770 -11.525 631 HG12 VAL 335 2HG1 VAL 335 -14.142 3.205 -11.219 632 HG13 VAL 335 3HG1 VAL 335 -15.386 4.454 -11.232 633 HG21 VAL 335 3HG2 VAL 335 -15.249 1.629 -8.042 634 HG22 VAL 335 1HG2 VAL 335 -14.461 1.293 -9.584 635 HG23 VAL 335 2HG2 VAL 335 -16.220 1.245 -9.463 636 H M3L 336 H M3L 336 -12.915 2.070 -8.152 637 HA M3L 336 HA M3L 336 -10.336 3.088 -8.532 638 HB2 M3L 336 1HB M3L 336 -9.534 0.878 -8.376 639 HB3 M3L 336 2HB M3L 336 -11.001 0.205 -9.067 640 HG2 M3L 336 1HG M3L 336 -11.452 -0.328 -6.930 641 HG3 M3L 336 2HG M3L 336 -11.997 1.344 -6.841 642 HD2 M3L 336 1HD M3L 336 -9.444 1.772 -6.289 643 HD3 M3L 336 2HD M3L 336 -9.545 0.097 -5.743 644 HE2 M3L 336 1HE M3L 336 -11.796 1.731 -4.834 645 HE3 M3L 336 2HE M3L 336 -10.259 2.352 -4.281 646 HM11 M3L 336 1HM1 M3L 336 -9.086 0.754 -2.177 647 HM12 M3L 336 2HM1 M3L 336 -8.646 0.288 -3.776 648 HM13 M3L 336 3HM1 M3L 336 -9.287 -0.886 -2.687 649 HM21 M3L 336 1HM2 M3L 336 -10.867 -1.435 -4.515 650 HM22 M3L 336 2HM2 M3L 336 -12.373 -0.592 -4.472 651 HM23 M3L 336 3HM2 M3L 336 -11.797 -1.393 -3.056 652 HM31 M3L 336 3HM3 M3L 336 -11.183 0.585 -1.386 653 HM32 M3L 336 1HM3 M3L 336 -12.548 0.921 -2.392 654 HM33 M3L 336 2HM3 M3L 336 -11.293 2.093 -2.220 655 H LYS 337 H LYS 337 -8.814 2.962 -10.186 656 HA LYS 337 HA LYS 337 -9.796 2.233 -12.863 657 HB2 LYS 337 2HB LYS 337 -8.359 4.810 -12.175 658 HB3 LYS 337 1HB LYS 337 -8.745 4.277 -13.801 659 HG2 LYS 337 2HG LYS 337 -10.670 5.380 -13.640 660 HG3 LYS 337 1HG LYS 337 -11.177 4.214 -12.418 661 HD2 LYS 337 2HD LYS 337 -11.443 6.120 -11.199 662 HD3 LYS 337 1HD LYS 337 -9.735 5.849 -10.842 663 HE2 LYS 337 2HE LYS 337 -9.380 7.283 -13.017 664 HE3 LYS 337 1HE LYS 337 -11.016 7.843 -12.673 665 HZ1 LYS 337 3HZ LYS 337 -8.802 8.930 -11.639 666 HZ2 LYS 337 1HZ LYS 337 -9.218 7.850 -10.406 667 HZ3 LYS 337 2HZ LYS 337 -10.326 9.023 -10.912 668 HA PRO 338 HA PRO 338 -5.204 1.066 -12.109 669 HB2 PRO 338 2HB PRO 338 -5.793 -1.554 -11.047 670 HB3 PRO 338 1HB PRO 338 -4.934 -0.225 -10.265 671 HG2 PRO 338 2HG PRO 338 -7.360 -1.119 -9.434 672 HG3 PRO 338 1HG PRO 338 -6.817 0.560 -9.255 673 HD2 PRO 338 2HD PRO 338 -8.583 -0.633 -11.384 674 HD3 PRO 338 1HD PRO 338 -8.833 0.849 -10.433 675 H HIS 339 H HIS 339 -4.272 -1.406 -12.497 676 HA HIS 339 HA HIS 339 -4.982 -2.028 -15.246 677 HB2 HIS 339 2HB HIS 339 -2.714 -1.951 -15.288 678 HB3 HIS 339 1HB HIS 339 -2.622 -2.053 -13.541 679 HD1 HIS 339 1HD HIS 339 -2.926 -4.390 -16.514 680 HD2 HIS 339 2HD HIS 339 -1.521 -4.286 -12.605 681 HE1 HIS 339 1HE HIS 339 -1.702 -6.556 -16.183 682 HE2 HIS 339 2HE HIS 339 -0.785 -6.441 -13.841 683 H ARG 340 H ARG 340 -5.149 -4.321 -15.915 684 HA ARG 340 HA ARG 340 -6.799 -5.808 -14.037 685 HB2 ARG 340 2HB ARG 340 -6.956 -5.395 -16.751 686 HB3 ARG 340 1HB ARG 340 -6.323 -7.033 -16.655 687 HG2 ARG 340 2HG ARG 340 -8.241 -7.442 -14.984 688 HG3 ARG 340 1HG ARG 340 -8.928 -5.961 -15.652 689 HD2 ARG 340 2HD ARG 340 -8.419 -7.156 -17.943 690 HD3 ARG 340 1HD ARG 340 -8.493 -8.609 -16.948 691 HE ARG 340 HE ARG 340 -10.693 -6.718 -17.417 692 HH11 ARG 340 1HH1 ARG 340 -9.601 -9.827 -16.204 693 HH12 ARG 340 2HH1 ARG 340 -11.207 -10.448 -16.017 694 HH21 ARG 340 1HH2 ARG 340 -12.786 -7.551 -17.162 695 HH22 ARG 340 2HH2 ARG 340 -13.008 -9.158 -16.560 696 H TYR 341 H TYR 341 -5.801 -7.065 -12.631 697 HA TYR 341 HA TYR 341 -4.446 -8.579 -11.639 698 HB2 TYR 341 2HB TYR 341 -5.424 -9.786 -13.972 699 HB3 TYR 341 1HB TYR 341 -3.712 -10.189 -13.931 700 HD1 TYR 341 1HD TYR 341 -2.853 -11.035 -11.559 701 HD2 TYR 341 2HD TYR 341 -6.901 -11.178 -12.862 702 HE1 TYR 341 1HE TYR 341 -3.306 -12.826 -9.934 703 HE2 TYR 341 2HE TYR 341 -7.366 -12.964 -11.237 704 HH TYR 341 HH TYR 341 -5.218 -14.820 -9.877 Start of MODEL 7 1 HA SER 5 HA SER 5 34.384 11.553 35.277 2 HB2 SER 5 2HB SER 5 32.952 12.524 37.402 3 HB3 SER 5 1HB SER 5 32.953 13.910 36.311 4 HG SER 5 HG SER 5 31.921 11.322 35.899 5 H ARG 6 H ARG 6 34.744 12.478 33.368 6 HA ARG 6 HA ARG 6 35.837 15.215 33.308 7 HB2 ARG 6 2HB ARG 6 36.749 12.749 31.851 8 HB3 ARG 6 1HB ARG 6 37.069 14.348 31.195 9 HG2 ARG 6 2HG ARG 6 38.596 14.860 32.810 10 HG3 ARG 6 1HG ARG 6 37.816 13.838 34.022 11 HD2 ARG 6 2HD ARG 6 38.768 11.883 33.151 12 HD3 ARG 6 1HD ARG 6 39.183 12.660 31.625 13 HE ARG 6 HE ARG 6 40.541 13.206 34.187 14 HH11 ARG 6 1HH1 ARG 6 40.642 12.928 30.684 15 HH12 ARG 6 2HH1 ARG 6 42.342 13.250 30.595 16 HH21 ARG 6 1HH2 ARG 6 42.763 13.620 34.043 17 HH22 ARG 6 2HH2 ARG 6 43.540 13.639 32.495 18 H LEU 7 H LEU 7 34.235 12.702 31.347 19 HA LEU 7 HA LEU 7 32.577 14.783 30.108 20 HB2 LEU 7 2HB LEU 7 34.233 12.714 28.695 21 HB3 LEU 7 1HB LEU 7 32.779 13.356 27.955 22 HG LEU 7 HG LEU 7 34.608 15.427 28.930 23 HD11 LEU 7 1HD1 LEU 7 36.161 15.123 26.998 24 HD12 LEU 7 2HD1 LEU 7 35.482 13.509 26.780 25 HD13 LEU 7 3HD1 LEU 7 36.330 13.916 28.272 26 HD21 LEU 7 3HD2 LEU 7 32.599 15.806 27.532 27 HD22 LEU 7 1HD2 LEU 7 33.382 14.920 26.224 28 HD23 LEU 7 2HD2 LEU 7 34.080 16.430 26.808 29 H SER 8 H SER 8 30.528 14.107 29.432 30 HA SER 8 HA SER 8 29.625 11.597 30.661 31 HB2 SER 8 2HB SER 8 27.328 12.646 30.432 32 HB3 SER 8 1HB SER 8 28.429 13.470 31.536 33 HG SER 8 HG SER 8 28.326 15.169 30.313 34 H ARG 9 H ARG 9 29.446 13.463 27.654 35 HA ARG 9 HA ARG 9 28.356 11.088 26.295 36 HB2 ARG 9 2HB ARG 9 27.733 12.760 24.458 37 HB3 ARG 9 1HB ARG 9 26.795 12.804 25.940 38 HG2 ARG 9 2HG ARG 9 28.758 14.651 26.448 39 HG3 ARG 9 1HG ARG 9 28.472 14.866 24.719 40 HD2 ARG 9 2HD ARG 9 26.044 15.050 25.201 41 HD3 ARG 9 1HD ARG 9 26.416 14.974 26.922 42 HE ARG 9 HE ARG 9 27.826 17.052 25.515 43 HH11 ARG 9 1HH1 ARG 9 24.853 16.283 27.222 44 HH12 ARG 9 2HH1 ARG 9 24.511 17.937 27.606 45 HH21 ARG 9 1HH2 ARG 9 27.358 19.209 26.031 46 HH22 ARG 9 2HH2 ARG 9 25.929 19.591 26.931 47 H SER 10 H SER 10 29.258 10.362 24.385 48 HA SER 10 HA SER 10 31.862 11.512 23.630 49 HB2 SER 10 2HB SER 10 31.158 8.661 24.245 50 HB3 SER 10 1HB SER 10 32.442 9.016 23.089 51 HG SER 10 HG SER 10 33.471 10.234 24.728 52 H GLY 11 H GLY 11 29.059 9.599 22.632 53 HA2 GLY 11 2HA GLY 11 27.943 10.036 20.554 54 HA3 GLY 11 1HA GLY 11 29.487 10.516 19.868 55 H ALA 12 H ALA 12 28.742 7.614 21.757 56 HA ALA 12 HA ALA 12 29.178 5.954 19.366 57 HB1 ALA 12 3HB ALA 12 31.278 5.882 20.457 58 HB2 ALA 12 1HB ALA 12 30.467 4.364 20.841 59 HB3 ALA 12 2HB ALA 12 30.529 5.658 22.038 60 H SER 13 H SER 13 27.406 6.581 22.218 61 HA SER 13 HA SER 13 26.235 3.925 22.405 62 HB2 SER 13 2HB SER 13 24.890 4.981 24.265 63 HB3 SER 13 1HB SER 13 26.636 5.003 24.506 64 HG SER 13 HG SER 13 24.968 7.138 23.679 65 H SER 14 H SER 14 24.054 3.453 22.090 66 HA SER 14 HA SER 14 22.541 5.403 20.475 67 HB2 SER 14 2HB SER 14 22.877 2.430 20.083 68 HB3 SER 14 1HB SER 14 21.563 3.333 19.331 69 HG SER 14 HG SER 14 24.255 4.137 19.056 70 H LEU 15 H LEU 15 22.591 4.087 23.408 71 HA LEU 15 HA LEU 15 19.821 3.253 23.645 72 HB2 LEU 15 2HB LEU 15 22.064 2.493 24.941 73 HB3 LEU 15 1HB LEU 15 21.459 3.690 26.070 74 HG LEU 15 HG LEU 15 19.205 2.240 25.639 75 HD11 LEU 15 1HD1 LEU 15 20.629 0.681 24.217 76 HD12 LEU 15 2HD1 LEU 15 19.651 -0.058 25.485 77 HD13 LEU 15 3HD1 LEU 15 21.383 0.174 25.730 78 HD21 LEU 15 3HD2 LEU 15 19.903 1.023 27.773 79 HD22 LEU 15 1HD2 LEU 15 19.859 2.785 27.822 80 HD23 LEU 15 2HD2 LEU 15 21.403 1.947 27.664 81 H TRP 16 H TRP 16 20.974 6.167 23.190 82 HA TRP 16 HA TRP 16 19.079 7.458 25.035 83 HB2 TRP 16 2HB TRP 16 21.847 7.745 25.177 84 HB3 TRP 16 1HB TRP 16 21.310 9.186 24.320 85 HD1 TRP 16 HD TRP 16 20.236 11.075 25.726 86 HE1 TRP 16 1HE TRP 16 19.666 11.378 28.216 87 HE3 TRP 16 3HE TRP 16 21.023 6.278 27.342 88 HZ2 TRP 16 2HZ TRP 16 19.562 9.803 30.552 89 HZ3 TRP 16 3HZ TRP 16 20.664 5.767 29.722 90 HH2 TRP 16 HH TRP 16 19.950 7.494 31.292 91 H ASP 17 H ASP 17 17.677 8.787 24.092 92 HA ASP 17 HA ASP 17 18.195 9.650 21.323 93 HB2 ASP 17 2HB ASP 17 15.815 8.378 22.566 94 HB3 ASP 17 1HB ASP 17 15.505 9.655 21.393 95 HA PRO 18 HA PRO 18 17.430 13.855 22.647 96 HB2 PRO 18 2HB PRO 18 15.794 14.431 20.272 97 HB3 PRO 18 1HB PRO 18 17.367 15.091 20.732 98 HG2 PRO 18 2HG PRO 18 17.108 13.391 18.674 99 HG3 PRO 18 1HG PRO 18 18.532 13.364 19.731 100 HD2 PRO 18 2HD PRO 18 16.125 11.570 19.750 101 HD3 PRO 18 1HD PRO 18 17.845 11.148 19.892 102 H ALA 19 H ALA 19 15.784 15.459 23.214 103 HA ALA 19 HA ALA 19 13.366 14.197 24.202 104 HB1 ALA 19 3HB ALA 19 14.437 16.990 24.583 105 HB2 ALA 19 1HB ALA 19 14.609 15.634 25.698 106 HB3 ALA 19 2HB ALA 19 13.016 16.325 25.390 107 H SER 20 H SER 20 14.276 16.189 21.552 108 HA SER 20 HA SER 20 11.444 16.694 20.903 109 HB2 SER 20 2HB SER 20 12.340 18.619 19.507 110 HB3 SER 20 1HB SER 20 12.469 18.826 21.253 111 HG SER 20 HG SER 20 14.553 17.917 19.552 112 HA PRO 21 HA PRO 21 12.334 14.040 17.405 113 HB2 PRO 21 2HB PRO 21 10.051 14.384 15.988 114 HB3 PRO 21 1HB PRO 21 10.123 13.419 17.466 115 HG2 PRO 21 2HG PRO 21 9.148 16.220 17.075 116 HG3 PRO 21 1HG PRO 21 8.462 14.924 18.072 117 HD2 PRO 21 2HD PRO 21 9.990 16.958 19.077 118 HD3 PRO 21 1HD PRO 21 9.887 15.350 19.820 119 H ALA 22 H ALA 22 13.931 14.766 16.141 120 HA ALA 22 HA ALA 22 13.274 16.720 14.051 121 HB1 ALA 22 3HB ALA 22 14.500 17.977 15.709 122 HB2 ALA 22 1HB ALA 22 15.521 17.737 14.290 123 HB3 ALA 22 2HB ALA 22 15.778 16.762 15.736 124 HA PRO 23 HA PRO 23 15.146 13.203 11.862 125 HB2 PRO 23 2HB PRO 23 14.101 13.702 9.425 126 HB3 PRO 23 1HB PRO 23 13.160 12.971 10.728 127 HG2 PRO 23 2HG PRO 23 13.132 15.773 9.708 128 HG3 PRO 23 1HG PRO 23 11.794 14.784 10.315 129 HD2 PRO 23 2HD PRO 23 13.126 16.748 11.763 130 HD3 PRO 23 1HD PRO 23 12.148 15.447 12.465 131 H THR 24 H THR 24 16.766 12.914 10.284 132 HA THR 24 HA THR 24 18.070 15.376 9.319 133 HB THR 24 HB THR 24 20.256 14.026 9.554 134 HG1 THR 24 1HG THR 24 18.796 12.686 11.586 135 HG21 THR 24 1HG2 THR 24 20.554 14.758 11.877 136 HG22 THR 24 2HG2 THR 24 18.812 14.979 12.031 137 HG23 THR 24 3HG2 THR 24 19.733 15.988 10.917 138 H SER 25 H SER 25 17.820 11.853 8.869 139 HA SER 25 HA SER 25 18.025 12.263 5.964 140 HB2 SER 25 2HB SER 25 20.124 11.256 7.224 141 HB3 SER 25 1HB SER 25 19.171 9.774 7.166 142 HG SER 25 HG SER 25 19.183 9.851 4.964 143 H GLY 26 H GLY 26 16.400 11.393 4.865 144 HA2 GLY 26 2HA GLY 26 15.197 8.894 5.456 145 HA3 GLY 26 1HA GLY 26 14.181 10.201 6.043 146 HA PRO 27 HA PRO 27 14.264 10.706 1.229 147 HB2 PRO 27 2HB PRO 27 15.555 8.353 0.103 148 HB3 PRO 27 1HB PRO 27 15.967 10.054 -0.120 149 HG2 PRO 27 2HG PRO 27 17.552 8.333 1.253 150 HG3 PRO 27 1HG PRO 27 17.453 10.062 1.636 151 HD2 PRO 27 2HD PRO 27 16.096 7.745 2.978 152 HD3 PRO 27 1HD PRO 27 16.911 9.147 3.708 153 H ARG 28 H ARG 28 14.083 7.375 2.411 154 HA ARG 28 HA ARG 28 12.608 5.677 2.168 155 HB2 ARG 28 2HB ARG 28 11.027 8.090 2.436 156 HB3 ARG 28 1HB ARG 28 10.170 6.893 1.479 157 HG2 ARG 28 2HG ARG 28 9.450 6.304 3.554 158 HG3 ARG 28 1HG ARG 28 10.898 5.303 3.472 159 HD2 ARG 28 2HD ARG 28 12.066 7.380 4.523 160 HD3 ARG 28 1HD ARG 28 10.429 7.844 4.985 161 HE ARG 28 HE ARG 28 10.296 5.880 6.330 162 HH11 ARG 28 1HH1 ARG 28 13.513 6.451 5.037 163 HH12 ARG 28 2HH1 ARG 28 14.288 5.441 6.210 164 HH21 ARG 28 1HH2 ARG 28 11.335 4.562 7.856 165 HH22 ARG 28 2HH2 ARG 28 13.056 4.372 7.803 166 HA PRO 29 HA PRO 29 12.801 5.607 -2.473 167 HB2 PRO 29 2HB PRO 29 14.189 3.069 -2.189 168 HB3 PRO 29 1HB PRO 29 14.766 4.567 -2.921 169 HG2 PRO 29 2HG PRO 29 15.774 3.577 -0.601 170 HG3 PRO 29 1HG PRO 29 15.715 5.312 -0.965 171 HD2 PRO 29 2HD PRO 29 13.868 3.668 0.737 172 HD3 PRO 29 1HD PRO 29 14.554 5.279 1.049 173 H ARG 30 H ARG 30 11.731 4.287 -3.961 174 HA ARG 30 HA ARG 30 10.223 2.835 -4.811 175 HB2 ARG 30 2HB ARG 30 11.697 1.212 -3.206 176 HB3 ARG 30 1HB ARG 30 10.095 0.978 -2.522 177 HG2 ARG 30 2HG ARG 30 10.006 -0.650 -4.089 178 HG3 ARG 30 1HG ARG 30 9.500 0.691 -5.120 179 HD2 ARG 30 2HD ARG 30 11.846 0.993 -5.822 180 HD3 ARG 30 1HD ARG 30 12.301 -0.397 -4.838 181 HE ARG 30 HE ARG 30 10.269 -1.184 -6.595 182 HH11 ARG 30 1HH1 ARG 30 13.637 -0.201 -6.750 183 HH12 ARG 30 2HH1 ARG 30 13.955 -1.111 -8.189 184 HH21 ARG 30 1HH2 ARG 30 10.708 -2.368 -8.476 185 HH22 ARG 30 2HH2 ARG 30 12.297 -2.337 -9.165 186 H LEU 31 H LEU 31 9.710 3.888 -1.519 187 HA LEU 31 HA LEU 31 6.843 4.162 -2.071 188 HB2 LEU 31 2HB LEU 31 8.078 2.545 0.106 189 HB3 LEU 31 1HB LEU 31 6.655 3.479 0.505 190 HG LEU 31 HG LEU 31 5.720 1.435 -0.000 191 HD11 LEU 31 1HD1 LEU 31 5.745 2.370 -2.835 192 HD12 LEU 31 2HD1 LEU 31 4.922 3.299 -1.587 193 HD13 LEU 31 3HD1 LEU 31 4.442 1.635 -1.905 194 HD21 LEU 31 3HD2 LEU 31 7.792 1.100 -2.152 195 HD22 LEU 31 1HD2 LEU 31 6.462 -0.023 -1.865 196 HD23 LEU 31 2HD2 LEU 31 7.681 0.237 -0.617 197 H TRP 32 H TRP 32 6.263 6.170 -1.749 198 HA TRP 32 HA TRP 32 7.255 7.686 0.538 199 HB2 TRP 32 2HB TRP 32 7.672 9.698 -1.041 200 HB3 TRP 32 1HB TRP 32 8.910 8.453 -0.955 201 HD1 TRP 32 HD TRP 32 5.895 9.343 -3.241 202 HE1 TRP 32 1HE TRP 32 6.511 8.718 -5.654 203 HE3 TRP 32 3HE TRP 32 10.537 7.329 -2.423 204 HZ2 TRP 32 2HZ TRP 32 8.670 7.556 -7.041 205 HZ3 TRP 32 3HZ TRP 32 11.808 6.492 -4.356 206 HH2 TRP 32 HH TRP 32 10.893 6.602 -6.615 207 H GLU 33 H GLU 33 6.030 9.742 0.840 208 HA GLU 33 HA GLU 33 3.250 9.314 0.643 209 HB2 GLU 33 2HB GLU 33 4.944 11.651 1.455 210 HB3 GLU 33 1HB GLU 33 3.201 11.833 1.313 211 HG2 GLU 33 2HG GLU 33 2.980 9.884 2.888 212 HG3 GLU 33 1HG GLU 33 4.719 10.007 3.152 213 H GLY 34 H GLY 34 1.999 9.458 -1.066 214 HA2 GLY 34 2HA GLY 34 0.883 10.655 -2.771 215 HA3 GLY 34 1HA GLY 34 2.287 11.695 -2.938 216 H GLN 35 H GLN 35 2.433 8.189 -2.811 217 HA GLN 35 HA GLN 35 3.464 8.178 -5.563 218 HB2 GLN 35 2HB GLN 35 5.143 7.344 -4.142 219 HB3 GLN 35 1HB GLN 35 3.995 6.491 -3.126 220 HG2 GLN 35 2HG GLN 35 4.646 4.632 -4.182 221 HG3 GLN 35 1HG GLN 35 3.749 5.232 -5.581 222 HE21 GLN 35 1HE2 GLN 35 6.384 3.733 -4.983 223 HE22 GLN 35 2HE2 GLN 35 7.510 4.474 -6.054 224 H ASP 36 H ASP 36 2.078 7.480 -7.071 225 HA ASP 36 HA ASP 36 -0.331 6.094 -6.426 226 HB2 ASP 36 2HB ASP 36 1.008 6.654 -9.076 227 HB3 ASP 36 1HB ASP 36 -0.519 5.798 -8.944 228 H VAL 37 H VAL 37 -0.323 4.135 -5.709 229 HA VAL 37 HA VAL 37 1.626 2.191 -6.745 230 HB VAL 37 HB VAL 37 1.221 0.969 -4.596 231 HG11 VAL 37 1HG1 VAL 37 2.373 3.743 -4.421 232 HG12 VAL 37 2HG1 VAL 37 3.221 2.268 -4.881 233 HG13 VAL 37 3HG1 VAL 37 2.634 2.469 -3.230 234 HG21 VAL 37 3HG2 VAL 37 -0.982 2.301 -4.176 235 HG22 VAL 37 1HG2 VAL 37 0.086 3.489 -3.430 236 HG23 VAL 37 2HG2 VAL 37 0.025 1.841 -2.806 237 H LEU 38 H LEU 38 0.986 -0.045 -6.685 238 HA LEU 38 HA LEU 38 -1.867 -0.443 -7.262 239 HB2 LEU 38 2HB LEU 38 0.558 -1.755 -8.468 240 HB3 LEU 38 1HB LEU 38 -1.075 -2.344 -8.709 241 HG LEU 38 HG LEU 38 -0.204 0.440 -9.470 242 HD11 LEU 38 1HD1 LEU 38 -0.466 -0.794 -11.832 243 HD12 LEU 38 2HD1 LEU 38 0.165 -2.129 -10.867 244 HD13 LEU 38 3HD1 LEU 38 1.074 -0.623 -10.991 245 HD21 LEU 38 3HD2 LEU 38 -2.701 -1.004 -9.463 246 HD22 LEU 38 1HD2 LEU 38 -2.285 -0.440 -11.081 247 HD23 LEU 38 2HD2 LEU 38 -2.390 0.706 -9.745 248 H ALA 39 H ALA 39 -2.622 -1.131 -5.448 249 HA ALA 39 HA ALA 39 -1.212 -3.105 -3.828 250 HB1 ALA 39 3HB ALA 39 -3.895 -2.128 -3.039 251 HB2 ALA 39 1HB ALA 39 -2.628 -0.906 -3.139 252 HB3 ALA 39 2HB ALA 39 -2.431 -2.302 -2.083 253 H ARG 40 H ARG 40 -1.471 -5.128 -4.511 254 HA ARG 40 HA ARG 40 -3.655 -6.057 -6.079 255 HB2 ARG 40 2HB ARG 40 -1.104 -6.928 -5.502 256 HB3 ARG 40 1HB ARG 40 -2.098 -8.087 -4.648 257 HG2 ARG 40 2HG ARG 40 -2.659 -7.455 -7.518 258 HG3 ARG 40 1HG ARG 40 -1.372 -8.573 -7.086 259 HD2 ARG 40 2HD ARG 40 -3.807 -9.181 -5.647 260 HD3 ARG 40 1HD ARG 40 -4.082 -9.163 -7.388 261 HE ARG 40 HE ARG 40 -2.169 -10.894 -5.971 262 HH11 ARG 40 1HH1 ARG 40 -4.038 -10.174 -8.857 263 HH12 ARG 40 2HH1 ARG 40 -3.660 -11.682 -9.618 264 HH21 ARG 40 1HH2 ARG 40 -1.685 -12.862 -6.988 265 HH22 ARG 40 2HH2 ARG 40 -2.328 -13.202 -8.560 266 H TRP 41 H TRP 41 -5.584 -6.805 -5.463 267 HA TRP 41 HA TRP 41 -6.187 -7.068 -2.641 268 HB2 TRP 41 2HB TRP 41 -7.665 -5.773 -4.127 269 HB3 TRP 41 1HB TRP 41 -8.049 -7.235 -5.023 270 HD1 TRP 41 HD TRP 41 -7.988 -7.029 -1.137 271 HE1 TRP 41 1HE TRP 41 -10.366 -7.508 -0.276 272 HE3 TRP 41 3HE TRP 41 -10.426 -7.256 -5.603 273 HZ2 TRP 41 2HZ TRP 41 -12.944 -7.921 -1.356 274 HZ3 TRP 41 3HZ TRP 41 -12.856 -7.692 -5.617 275 HH2 TRP 41 HH TRP 41 -14.085 -8.018 -3.531 276 H THR 42 H THR 42 -7.241 -8.886 -1.715 277 HA THR 42 HA THR 42 -5.975 -11.346 -2.325 278 HB THR 42 HB THR 42 -7.593 -12.255 -0.545 279 HG1 THR 42 1HG THR 42 -8.549 -10.561 0.716 280 HG21 THR 42 1HG2 THR 42 -5.375 -11.829 0.108 281 HG22 THR 42 2HG2 THR 42 -6.360 -10.931 1.262 282 HG23 THR 42 3HG2 THR 42 -5.567 -10.084 -0.067 283 H ASP 43 H ASP 43 -8.705 -10.042 -3.788 284 HA ASP 43 HA ASP 43 -10.053 -12.598 -4.186 285 HB2 ASP 43 2HB ASP 43 -10.783 -9.784 -4.448 286 HB3 ASP 43 1HB ASP 43 -11.333 -10.761 -5.810 287 H GLY 44 H GLY 44 -7.561 -10.886 -5.645 288 HA2 GLY 44 2HA GLY 44 -6.366 -12.019 -7.445 289 HA3 GLY 44 1HA GLY 44 -7.925 -12.390 -8.159 290 H LEU 45 H LEU 45 -8.642 -9.471 -7.302 291 HA LEU 45 HA LEU 45 -7.772 -8.276 -9.814 292 HB2 LEU 45 2HB LEU 45 -9.898 -7.577 -7.807 293 HB3 LEU 45 1HB LEU 45 -9.451 -6.482 -9.107 294 HG LEU 45 HG LEU 45 -10.032 -9.175 -10.063 295 HD11 LEU 45 1HD1 LEU 45 -12.450 -9.042 -9.721 296 HD12 LEU 45 2HD1 LEU 45 -12.224 -7.623 -8.697 297 HD13 LEU 45 3HD1 LEU 45 -11.582 -9.186 -8.193 298 HD21 LEU 45 3HD2 LEU 45 -9.776 -7.166 -11.464 299 HD22 LEU 45 1HD2 LEU 45 -11.214 -6.480 -10.710 300 HD23 LEU 45 2HD2 LEU 45 -11.342 -7.948 -11.679 301 H LEU 46 H LEU 46 -6.926 -6.163 -9.939 302 HA LEU 46 HA LEU 46 -5.086 -5.491 -7.803 303 HB2 LEU 46 2HB LEU 46 -4.450 -5.573 -10.244 304 HB3 LEU 46 1HB LEU 46 -5.501 -4.193 -10.498 305 HG LEU 46 HG LEU 46 -4.021 -2.868 -8.987 306 HD11 LEU 46 1HD1 LEU 46 -2.890 -5.424 -8.461 307 HD12 LEU 46 2HD1 LEU 46 -2.465 -3.868 -7.755 308 HD13 LEU 46 3HD1 LEU 46 -1.662 -4.421 -9.225 309 HD21 LEU 46 3HD2 LEU 46 -3.335 -4.019 -11.605 310 HD22 LEU 46 1HD2 LEU 46 -2.040 -3.166 -10.767 311 HD23 LEU 46 2HD2 LEU 46 -3.554 -2.342 -11.120 312 H TYR 47 H TYR 47 -4.793 -3.188 -7.181 313 HA TYR 47 HA TYR 47 -7.224 -1.548 -7.215 314 HB2 TYR 47 2HB TYR 47 -5.799 -2.575 -4.760 315 HB3 TYR 47 1HB TYR 47 -6.642 -1.038 -4.720 316 HD1 TYR 47 1HD TYR 47 -8.766 -2.853 -6.761 317 HD2 TYR 47 2HD TYR 47 -7.378 -2.812 -2.738 318 HE1 TYR 47 1HE TYR 47 -10.830 -3.956 -6.047 319 HE2 TYR 47 2HE TYR 47 -9.442 -3.930 -2.019 320 HH TYR 47 HH TYR 47 -11.694 -5.263 -4.243 321 H LEU 48 H LEU 48 -6.737 0.555 -7.586 322 HA LEU 48 HA LEU 48 -3.913 1.321 -7.590 323 HB2 LEU 48 2HB LEU 48 -5.145 1.723 -9.652 324 HB3 LEU 48 1HB LEU 48 -6.338 2.675 -8.791 325 HG LEU 48 HG LEU 48 -4.368 4.262 -8.233 326 HD11 LEU 48 1HD1 LEU 48 -2.533 2.850 -8.903 327 HD12 LEU 48 2HD1 LEU 48 -2.586 4.276 -9.938 328 HD13 LEU 48 3HD1 LEU 48 -3.180 2.729 -10.539 329 HD21 LEU 48 3HD2 LEU 48 -4.535 5.185 -10.674 330 HD22 LEU 48 1HD2 LEU 48 -5.948 5.178 -9.619 331 HD23 LEU 48 2HD2 LEU 48 -5.758 3.926 -10.847 332 H GLY 49 H GLY 49 -3.078 2.968 -6.401 333 HA2 GLY 49 2HA GLY 49 -4.795 4.638 -4.762 334 HA3 GLY 49 1HA GLY 49 -3.866 3.458 -3.869 335 H THR 50 H THR 50 -3.404 5.822 -3.057 336 HA THR 50 HA THR 50 -0.766 6.537 -4.142 337 HB THR 50 HB THR 50 -2.045 8.826 -2.898 338 HG1 THR 50 1HG THR 50 -3.516 7.428 -4.765 339 HG21 THR 50 1HG2 THR 50 -1.274 9.922 -4.976 340 HG22 THR 50 2HG2 THR 50 -0.860 8.340 -5.635 341 HG23 THR 50 3HG2 THR 50 -0.008 8.955 -4.219 342 H ILE 51 H ILE 51 0.775 6.619 -2.663 343 HA ILE 51 HA ILE 51 0.357 5.563 -0.103 344 HB ILE 51 HB ILE 51 2.792 6.983 -1.176 345 HG12 ILE 51 2HG1 ILE 51 2.035 5.009 -2.489 346 HG13 ILE 51 1HG1 ILE 51 3.612 4.781 -1.761 347 HG21 ILE 51 1HG2 ILE 51 2.656 5.078 1.166 348 HG22 ILE 51 2HG2 ILE 51 2.821 6.829 1.302 349 HG23 ILE 51 3HG2 ILE 51 4.095 5.880 0.535 350 HD11 ILE 51 3HD1 ILE 51 2.875 2.860 -0.933 351 HD12 ILE 51 1HD1 ILE 51 1.244 3.204 -1.489 352 HD13 ILE 51 2HD1 ILE 51 1.774 3.771 0.090 353 H LYS 52 H LYS 52 -0.390 6.375 1.631 354 HA LYS 52 HA LYS 52 -0.311 9.266 2.116 355 HB2 LYS 52 2HB LYS 52 -2.238 7.219 2.600 356 HB3 LYS 52 1HB LYS 52 -1.731 7.853 4.158 357 HG2 LYS 52 2HG LYS 52 -2.416 9.831 2.055 358 HG3 LYS 52 1HG LYS 52 -3.737 8.905 2.763 359 HD2 LYS 52 2HD LYS 52 -3.227 9.680 4.950 360 HD3 LYS 52 1HD LYS 52 -1.693 10.372 4.418 361 HE2 LYS 52 2HE LYS 52 -4.267 11.312 3.218 362 HE3 LYS 52 1HE LYS 52 -3.746 11.926 4.786 363 HZ1 LYS 52 3HZ LYS 52 -2.649 12.423 2.142 364 HZ2 LYS 52 1HZ LYS 52 -1.517 12.240 3.387 365 HZ3 LYS 52 2HZ LYS 52 -2.711 13.433 3.498 366 H LYS 53 H LYS 53 0.925 6.217 3.279 367 HA LYS 53 HA LYS 53 2.742 7.595 5.083 368 HB2 LYS 53 2HB LYS 53 0.482 6.580 6.201 369 HB3 LYS 53 1HB LYS 53 1.522 5.166 6.256 370 HG2 LYS 53 2HG LYS 53 3.173 7.127 7.223 371 HG3 LYS 53 1HG LYS 53 1.599 7.603 7.863 372 HD2 LYS 53 2HD LYS 53 2.366 6.188 9.521 373 HD3 LYS 53 1HD LYS 53 1.429 5.073 8.523 374 HE2 LYS 53 2HE LYS 53 3.363 3.863 8.760 375 HE3 LYS 53 1HE LYS 53 3.744 4.772 7.293 376 HZ1 LYS 53 3HZ LYS 53 5.610 4.993 8.663 377 HZ2 LYS 53 1HZ LYS 53 4.689 5.264 10.057 378 HZ3 LYS 53 2HZ LYS 53 4.783 6.455 8.860 379 H VAL 54 H VAL 54 4.498 6.124 5.823 380 HA VAL 54 HA VAL 54 4.875 3.768 4.124 381 HB VAL 54 HB VAL 54 6.802 6.098 4.271 382 HG11 VAL 54 1HG1 VAL 54 8.384 4.441 4.454 383 HG12 VAL 54 2HG1 VAL 54 8.175 4.467 2.702 384 HG13 VAL 54 3HG1 VAL 54 7.364 3.235 3.668 385 HG21 VAL 54 3HG2 VAL 54 6.744 5.753 1.756 386 HG22 VAL 54 1HG2 VAL 54 5.271 6.379 2.497 387 HG23 VAL 54 2HG2 VAL 54 5.373 4.680 2.037 388 H ASP 55 H ASP 55 5.849 2.113 5.058 389 HA ASP 55 HA ASP 55 7.087 2.463 7.705 390 HB2 ASP 55 2HB ASP 55 4.983 0.553 6.777 391 HB3 ASP 55 1HB ASP 55 6.196 -0.062 7.901 392 H SER 56 H SER 56 9.083 2.658 6.515 393 HA SER 56 HA SER 56 10.089 0.574 4.847 394 HB2 SER 56 2HB SER 56 10.748 3.104 4.994 395 HB3 SER 56 1HB SER 56 11.882 2.539 6.220 396 HG SER 56 HG SER 56 12.766 1.136 4.672 397 H ALA 57 H ALA 57 9.774 0.757 8.198 398 HA ALA 57 HA ALA 57 12.130 -0.823 8.838 399 HB1 ALA 57 3HB ALA 57 11.184 1.013 10.312 400 HB2 ALA 57 1HB ALA 57 11.571 -0.514 11.103 401 HB3 ALA 57 2HB ALA 57 9.896 -0.120 10.720 402 H ARG 58 H ARG 58 8.669 -1.255 8.464 403 HA ARG 58 HA ARG 58 8.924 -4.114 9.115 404 HB2 ARG 58 2HB ARG 58 6.540 -2.263 9.114 405 HB3 ARG 58 1HB ARG 58 6.384 -4.006 9.253 406 HG2 ARG 58 2HG ARG 58 8.186 -2.579 11.149 407 HG3 ARG 58 1HG ARG 58 6.444 -2.450 11.380 408 HD2 ARG 58 2HD ARG 58 7.205 -5.193 10.896 409 HD3 ARG 58 1HD ARG 58 8.125 -4.520 12.239 410 HE ARG 58 HE ARG 58 5.538 -3.776 12.724 411 HH11 ARG 58 1HH1 ARG 58 7.149 -6.862 12.259 412 HH12 ARG 58 2HH1 ARG 58 6.038 -7.723 13.271 413 HH21 ARG 58 1HH2 ARG 58 4.098 -4.924 14.045 414 HH22 ARG 58 2HH2 ARG 58 4.312 -6.626 14.280 415 H GLU 59 H GLU 59 9.163 -2.279 6.474 416 HA GLU 59 HA GLU 59 8.915 -2.527 4.231 417 HB2 GLU 59 2HB GLU 59 8.679 -5.388 5.133 418 HB3 GLU 59 1HB GLU 59 8.491 -4.971 3.435 419 HG2 GLU 59 2HG GLU 59 10.881 -3.939 4.863 420 HG3 GLU 59 1HG GLU 59 10.829 -5.659 4.459 421 H VAL 60 H VAL 60 6.728 -1.549 5.550 422 HA VAL 60 HA VAL 60 4.514 -2.462 3.845 423 HB VAL 60 HB VAL 60 3.873 -1.420 6.573 424 HG11 VAL 60 1HG1 VAL 60 2.080 -1.717 4.973 425 HG12 VAL 60 2HG1 VAL 60 1.898 -2.820 6.338 426 HG13 VAL 60 3HG1 VAL 60 2.509 -3.416 4.796 427 HG21 VAL 60 3HG2 VAL 60 5.273 -3.105 7.352 428 HG22 VAL 60 1HG2 VAL 60 4.876 -4.183 6.014 429 HG23 VAL 60 2HG2 VAL 60 3.698 -3.896 7.294 430 H CYS 61 H CYS 61 2.749 -0.751 3.702 431 HA CYS 61 HA CYS 61 3.443 1.990 4.287 432 HB2 CYS 61 2HB CYS 61 3.580 0.942 1.474 433 HB3 CYS 61 1HB CYS 61 3.087 2.606 1.787 434 HG CYS 61 HG CYS 61 5.828 1.908 3.479 435 H LEU 62 H LEU 62 1.707 3.331 4.278 436 HA LEU 62 HA LEU 62 -0.897 2.057 3.884 437 HB2 LEU 62 2HB LEU 62 0.019 3.654 5.917 438 HB3 LEU 62 1HB LEU 62 -0.818 4.812 4.911 439 HG LEU 62 HG LEU 62 -2.412 4.177 6.501 440 HD11 LEU 62 1HD1 LEU 62 -3.462 2.145 4.704 441 HD12 LEU 62 2HD1 LEU 62 -2.912 3.589 3.854 442 HD13 LEU 62 3HD1 LEU 62 -4.115 3.726 5.135 443 HD21 LEU 62 3HD2 LEU 62 -1.339 2.340 7.546 444 HD22 LEU 62 1HD2 LEU 62 -1.483 1.348 6.096 445 HD23 LEU 62 2HD2 LEU 62 -2.925 1.785 7.014 446 H VAL 63 H VAL 63 -2.293 2.689 2.343 447 HA VAL 63 HA VAL 63 -1.617 5.041 0.744 448 HB VAL 63 HB VAL 63 -0.920 3.847 -1.009 449 HG11 VAL 63 1HG1 VAL 63 -1.057 1.275 -0.956 450 HG12 VAL 63 2HG1 VAL 63 -1.559 1.512 0.716 451 HG13 VAL 63 3HG1 VAL 63 0.006 2.114 0.171 452 HG21 VAL 63 3HG2 VAL 63 -3.539 2.385 -1.020 453 HG22 VAL 63 1HG2 VAL 63 -2.403 2.536 -2.361 454 HG23 VAL 63 2HG2 VAL 63 -3.246 3.963 -1.754 455 H GLN 64 H GLN 64 -3.259 6.103 -0.211 456 HA GLN 64 HA GLN 64 -5.959 5.450 0.700 457 HB2 GLN 64 2HB GLN 64 -4.841 7.812 0.831 458 HB3 GLN 64 1HB GLN 64 -5.206 7.910 -0.884 459 HG2 GLN 64 2HG GLN 64 -7.305 8.508 -0.449 460 HG3 GLN 64 1HG GLN 64 -7.549 7.073 0.550 461 HE21 GLN 64 1HE2 GLN 64 -8.062 7.449 2.573 462 HE22 GLN 64 2HE2 GLN 64 -7.687 8.873 3.477 463 H PHE 65 H PHE 65 -7.611 4.946 -0.761 464 HA PHE 65 HA PHE 65 -6.666 4.300 -3.451 465 HB2 PHE 65 2HB PHE 65 -8.768 3.053 -1.695 466 HB3 PHE 65 1HB PHE 65 -8.552 2.625 -3.395 467 HD1 PHE 65 2HD PHE 65 -6.905 2.613 -0.078 468 HD2 PHE 65 1HD PHE 65 -6.781 1.277 -4.097 469 HE1 PHE 65 2HE PHE 65 -5.076 1.067 0.499 470 HE2 PHE 65 1HE PHE 65 -4.951 -0.261 -3.538 471 HZ PHE 65 HZ PHE 65 -4.114 -0.379 -1.242 472 H GLU 66 H GLU 66 -8.436 4.088 -5.118 473 HA GLU 66 HA GLU 66 -9.343 6.585 -5.888 474 HB2 GLU 66 2HB GLU 66 -9.066 4.249 -7.119 475 HB3 GLU 66 1HB GLU 66 -10.807 4.198 -6.875 476 HG2 GLU 66 2HG GLU 66 -10.706 5.186 -8.927 477 HG3 GLU 66 1HG GLU 66 -10.702 6.615 -7.891 478 H ASP 67 H ASP 67 -11.232 3.968 -4.341 479 HA ASP 67 HA ASP 67 -13.574 5.702 -4.273 480 HB2 ASP 67 2HB ASP 67 -13.714 3.296 -4.946 481 HB3 ASP 67 1HB ASP 67 -13.299 2.851 -3.301 482 H ASP 68 H ASP 68 -11.320 6.536 -2.740 483 HA ASP 68 HA ASP 68 -10.677 7.341 -0.728 484 HB2 ASP 68 2HB ASP 68 -13.665 7.520 -0.606 485 HB3 ASP 68 1HB ASP 68 -12.708 7.994 0.794 486 H SER 69 H SER 69 -10.000 4.884 -0.576 487 HA SER 69 HA SER 69 -10.968 3.905 2.030 488 HB2 SER 69 2HB SER 69 -11.282 2.522 -0.259 489 HB3 SER 69 1HB SER 69 -9.669 1.949 0.195 490 HG SER 69 HG SER 69 -11.055 1.863 2.390 491 H GLN 70 H GLN 70 -9.518 3.767 3.597 492 HA GLN 70 HA GLN 70 -6.680 4.077 2.934 493 HB2 GLN 70 2HB GLN 70 -8.362 4.755 5.271 494 HB3 GLN 70 1HB GLN 70 -6.776 4.108 5.669 495 HG2 GLN 70 2HG GLN 70 -7.069 6.349 3.704 496 HG3 GLN 70 1HG GLN 70 -7.062 6.651 5.442 497 HE21 GLN 70 1HE2 GLN 70 -5.193 5.911 2.675 498 HE22 GLN 70 2HE2 GLN 70 -3.641 5.904 3.447 499 H PHE 71 H PHE 71 -6.083 2.114 2.272 500 HA PHE 71 HA PHE 71 -6.492 -0.158 4.103 501 HB2 PHE 71 2HB PHE 71 -6.877 0.188 1.216 502 HB3 PHE 71 1HB PHE 71 -5.964 -1.256 1.616 503 HD1 PHE 71 1HD PHE 71 -8.475 -0.267 4.088 504 HD2 PHE 71 2HD PHE 71 -7.836 -2.403 0.462 505 HE1 PHE 71 1HE PHE 71 -10.584 -1.471 4.430 506 HE2 PHE 71 2HE PHE 71 -9.946 -3.615 0.805 507 HZ PHE 71 HZ PHE 71 -11.325 -3.149 2.789 508 H LEU 72 H LEU 72 -4.756 -0.990 4.980 509 HA LEU 72 HA LEU 72 -2.150 -0.056 4.311 510 HB2 LEU 72 2HB LEU 72 -1.339 -1.347 6.175 511 HB3 LEU 72 1HB LEU 72 -2.777 -0.466 6.633 512 HG LEU 72 HG LEU 72 -3.122 -2.456 7.717 513 HD11 LEU 72 1HD1 LEU 72 -5.117 -2.262 6.536 514 HD12 LEU 72 2HD1 LEU 72 -4.639 -3.948 6.331 515 HD13 LEU 72 3HD1 LEU 72 -4.380 -2.792 5.024 516 HD21 LEU 72 3HD2 LEU 72 -1.856 -3.898 5.401 517 HD22 LEU 72 1HD2 LEU 72 -2.513 -4.673 6.842 518 HD23 LEU 72 2HD2 LEU 72 -1.135 -3.580 6.978 519 H VAL 73 H VAL 73 -0.718 -0.861 2.954 520 HA VAL 73 HA VAL 73 -1.008 -3.673 2.086 521 HB VAL 73 HB VAL 73 0.140 -1.795 0.102 522 HG11 VAL 73 1HG1 VAL 73 -0.581 -3.332 -1.449 523 HG12 VAL 73 2HG1 VAL 73 -1.936 -3.864 -0.453 524 HG13 VAL 73 3HG1 VAL 73 -0.293 -4.356 -0.043 525 HG21 VAL 73 3HG2 VAL 73 -2.020 -0.737 1.131 526 HG22 VAL 73 1HG2 VAL 73 -2.845 -1.960 0.165 527 HG23 VAL 73 2HG2 VAL 73 -1.803 -0.772 -0.617 528 H LEU 74 H LEU 74 0.842 -4.780 1.485 529 HA LEU 74 HA LEU 74 3.289 -3.772 2.702 530 HB2 LEU 74 2HB LEU 74 2.088 -6.366 2.407 531 HB3 LEU 74 1HB LEU 74 3.695 -6.374 1.712 532 HG LEU 74 HG LEU 74 4.334 -5.225 4.009 533 HD11 LEU 74 1HD1 LEU 74 2.935 -5.507 5.739 534 HD12 LEU 74 2HD1 LEU 74 2.311 -7.038 5.125 535 HD13 LEU 74 3HD1 LEU 74 1.709 -5.516 4.471 536 HD21 LEU 74 3HD2 LEU 74 3.816 -8.178 3.697 537 HD22 LEU 74 1HD2 LEU 74 4.885 -7.437 4.887 538 HD23 LEU 74 2HD2 LEU 74 5.261 -7.316 3.168 539 H TRP 75 H TRP 75 5.314 -3.962 1.656 540 HA TRP 75 HA TRP 75 5.368 -2.899 -0.940 541 HB2 TRP 75 2HB TRP 75 7.594 -4.169 0.658 542 HB3 TRP 75 1HB TRP 75 7.831 -3.261 -0.821 543 HD1 TRP 75 HD TRP 75 5.309 -1.849 1.681 544 HE1 TRP 75 1HE TRP 75 6.287 0.262 2.753 545 HE3 TRP 75 3HE TRP 75 10.123 -2.161 -0.079 546 HZ2 TRP 75 2HZ TRP 75 8.751 1.616 2.869 547 HZ3 TRP 75 3HZ TRP 75 11.721 -0.408 0.577 548 HH2 TRP 75 HH TRP 75 11.044 1.442 2.025 549 H LYS 76 H LYS 76 4.981 -6.160 0.023 550 HA LYS 76 HA LYS 76 6.169 -7.269 -2.397 551 HB2 LYS 76 2HB LYS 76 5.624 -9.437 -1.540 552 HB3 LYS 76 1HB LYS 76 6.278 -8.486 -0.220 553 HG2 LYS 76 2HG LYS 76 3.741 -8.033 0.295 554 HG3 LYS 76 1HG LYS 76 3.511 -9.511 -0.635 555 HD2 LYS 76 2HD LYS 76 5.084 -10.672 0.858 556 HD3 LYS 76 1HD LYS 76 5.261 -9.194 1.805 557 HE2 LYS 76 2HE LYS 76 2.689 -9.309 2.033 558 HE3 LYS 76 1HE LYS 76 2.875 -10.989 1.530 559 HZ1 LYS 76 3HZ LYS 76 3.898 -11.552 3.461 560 HZ2 LYS 76 1HZ LYS 76 2.952 -10.278 4.049 561 HZ3 LYS 76 2HZ LYS 76 4.585 -10.024 3.696 562 H ASP 77 H ASP 77 3.020 -6.342 -1.242 563 HA ASP 77 HA ASP 77 1.674 -7.499 -3.573 564 HB2 ASP 77 2HB ASP 77 0.855 -6.675 -0.866 565 HB3 ASP 77 1HB ASP 77 -0.299 -6.288 -2.134 566 H ILE 78 H ILE 78 3.341 -4.782 -3.045 567 HA ILE 78 HA ILE 78 1.437 -2.995 -4.387 568 HB ILE 78 HB ILE 78 3.911 -2.357 -2.774 569 HG12 ILE 78 2HG1 ILE 78 1.070 -1.451 -2.294 570 HG13 ILE 78 1HG1 ILE 78 1.665 -2.990 -1.688 571 HG21 ILE 78 1HG2 ILE 78 4.102 -0.497 -4.030 572 HG22 ILE 78 2HG2 ILE 78 2.629 0.041 -3.225 573 HG23 ILE 78 3HG2 ILE 78 2.534 -0.759 -4.795 574 HD11 ILE 78 3HD1 ILE 78 3.516 -1.008 -0.926 575 HD12 ILE 78 1HD1 ILE 78 2.454 -1.981 0.089 576 HD13 ILE 78 2HD1 ILE 78 1.898 -0.427 -0.535 577 H SER 79 H SER 79 1.834 -2.094 -6.308 578 HA SER 79 HA SER 79 4.405 -2.570 -7.652 579 HB2 SER 79 2HB SER 79 2.064 -3.921 -8.310 580 HB3 SER 79 1HB SER 79 2.108 -2.596 -9.479 581 HG SER 79 HG SER 79 4.107 -3.298 -10.165 582 HA PRO 80 HA PRO 80 3.835 1.984 -7.806 583 HB2 PRO 80 2HB PRO 80 6.225 1.664 -9.574 584 HB3 PRO 80 1HB PRO 80 5.939 2.821 -8.269 585 HG2 PRO 80 2HG PRO 80 7.524 0.752 -7.849 586 HG3 PRO 80 1HG PRO 80 6.355 1.242 -6.604 587 HD2 PRO 80 2HD PRO 80 6.220 -1.047 -8.533 588 HD3 PRO 80 1HD PRO 80 5.738 -0.979 -6.823 589 H ALA 81 H ALA 81 2.354 2.850 -9.055 590 HA ALA 81 HA ALA 81 1.810 1.898 -11.720 591 HB1 ALA 81 3HB ALA 81 0.452 3.592 -9.728 592 HB2 ALA 81 1HB ALA 81 -0.202 2.354 -10.799 593 HB3 ALA 81 2HB ALA 81 0.114 3.975 -11.415 594 H ALA 82 H ALA 82 2.766 5.024 -10.280 595 HA ALA 82 HA ALA 82 3.862 5.828 -12.889 596 HB1 ALA 82 3HB ALA 82 2.215 7.519 -11.015 597 HB2 ALA 82 1HB ALA 82 1.826 7.057 -12.672 598 HB3 ALA 82 2HB ALA 82 3.157 8.172 -12.357 599 H LEU 83 H LEU 83 5.671 7.217 -12.827 600 HA LEU 83 HA LEU 83 7.206 7.038 -10.336 601 HB2 LEU 83 2HB LEU 83 7.866 6.596 -13.029 602 HB3 LEU 83 1HB LEU 83 8.663 8.094 -12.609 603 HG LEU 83 HG LEU 83 10.189 6.235 -12.346 604 HD11 LEU 83 1HD1 LEU 83 9.897 8.190 -10.540 605 HD12 LEU 83 2HD1 LEU 83 11.158 6.959 -10.450 606 HD13 LEU 83 3HD1 LEU 83 9.686 6.784 -9.494 607 HD21 LEU 83 3HD2 LEU 83 9.364 4.797 -10.133 608 HD22 LEU 83 1HD2 LEU 83 9.371 4.242 -11.808 609 HD23 LEU 83 2HD2 LEU 83 7.907 4.941 -11.117 610 HA ALA 331 HA ALA 331 -23.420 4.376 -15.329 611 HB1 ALA 331 3HB ALA 331 -21.708 2.653 -15.916 612 HB2 ALA 331 1HB ALA 331 -21.426 3.472 -14.379 613 HB3 ALA 331 2HB ALA 331 -20.481 3.914 -15.802 614 H THR 332 H THR 332 -23.036 5.738 -13.606 615 HA THR 332 HA THR 332 -21.711 8.272 -14.285 616 HB THR 332 HB THR 332 -24.045 8.625 -13.801 617 HG1 THR 332 1HG THR 332 -23.809 10.182 -12.228 618 HG21 THR 332 1HG2 THR 332 -24.993 8.138 -11.530 619 HG22 THR 332 2HG2 THR 332 -23.557 7.169 -11.198 620 HG23 THR 332 3HG2 THR 332 -24.655 6.703 -12.498 621 H GLY 333 H GLY 333 -19.891 8.812 -13.307 622 HA2 GLY 333 2HA GLY 333 -18.527 9.146 -11.378 623 HA3 GLY 333 1HA GLY 333 -19.298 7.757 -10.627 624 H GLY 334 H GLY 334 -17.705 6.365 -10.220 625 HA2 GLY 334 2HA GLY 334 -16.604 4.594 -11.873 626 HA3 GLY 334 1HA GLY 334 -15.543 5.969 -12.132 627 H VAL 335 H VAL 335 -15.630 3.159 -10.628 628 HA VAL 335 HA VAL 335 -14.135 4.112 -8.275 629 HB VAL 335 HB VAL 335 -14.687 1.742 -7.343 630 HG11 VAL 335 1HG1 VAL 335 -15.433 3.886 -6.399 631 HG12 VAL 335 2HG1 VAL 335 -16.638 2.611 -6.219 632 HG13 VAL 335 3HG1 VAL 335 -16.840 3.846 -7.463 633 HG21 VAL 335 3HG2 VAL 335 -15.762 0.894 -9.414 634 HG22 VAL 335 1HG2 VAL 335 -17.048 2.084 -9.201 635 HG23 VAL 335 2HG2 VAL 335 -16.820 0.808 -8.005 636 H M3L 336 H M3L 336 -12.097 3.522 -8.055 637 HA M3L 336 HA M3L 336 -10.018 2.731 -8.536 638 HB2 M3L 336 1HB M3L 336 -9.690 0.387 -8.557 639 HB3 M3L 336 2HB M3L 336 -11.266 0.090 -9.272 640 HG2 M3L 336 1HG M3L 336 -11.699 -0.522 -7.120 641 HG3 M3L 336 2HG M3L 336 -12.110 1.190 -7.035 642 HD2 M3L 336 1HD M3L 336 -9.515 1.372 -6.447 643 HD3 M3L 336 2HD M3L 336 -9.814 -0.267 -5.866 644 HE2 M3L 336 1HE M3L 336 -11.920 1.540 -5.014 645 HE3 M3L 336 2HE M3L 336 -10.353 2.142 -4.520 646 HM11 M3L 336 1HM1 M3L 336 -9.458 -1.030 -2.755 647 HM12 M3L 336 2HM1 M3L 336 -9.179 0.628 -2.367 648 HM13 M3L 336 3HM1 M3L 336 -8.800 0.041 -3.942 649 HM21 M3L 336 1HM2 M3L 336 -12.126 -1.387 -3.072 650 HM22 M3L 336 2HM2 M3L 336 -11.060 -1.690 -4.396 651 HM23 M3L 336 3HM2 M3L 336 -12.483 -0.742 -4.637 652 HM31 M3L 336 3HM3 M3L 336 -11.253 0.576 -1.511 653 HM32 M3L 336 1HM3 M3L 336 -12.643 0.875 -2.492 654 HM33 M3L 336 2HM3 M3L 336 -11.364 2.034 -2.430 655 H LYS 337 H LYS 337 -8.571 2.861 -10.143 656 HA LYS 337 HA LYS 337 -9.385 2.117 -12.870 657 HB2 LYS 337 2HB LYS 337 -8.155 4.763 -12.064 658 HB3 LYS 337 1HB LYS 337 -8.265 4.202 -13.723 659 HG2 LYS 337 2HG LYS 337 -10.220 5.274 -13.811 660 HG3 LYS 337 1HG LYS 337 -10.857 3.958 -12.824 661 HD2 LYS 337 2HD LYS 337 -11.467 5.645 -11.442 662 HD3 LYS 337 1HD LYS 337 -9.793 5.543 -10.892 663 HE2 LYS 337 2HE LYS 337 -9.385 7.218 -12.885 664 HE3 LYS 337 1HE LYS 337 -11.100 7.563 -12.660 665 HZ1 LYS 337 3HZ LYS 337 -10.564 8.851 -10.956 666 HZ2 LYS 337 1HZ LYS 337 -8.923 8.489 -11.155 667 HZ3 LYS 337 2HZ LYS 337 -9.884 7.533 -10.144 668 HA PRO 338 HA PRO 338 -4.879 0.949 -11.766 669 HB2 PRO 338 2HB PRO 338 -5.669 -1.797 -11.217 670 HB3 PRO 338 1HB PRO 338 -4.829 -0.657 -10.161 671 HG2 PRO 338 2HG PRO 338 -7.340 -1.489 -9.665 672 HG3 PRO 338 1HG PRO 338 -6.773 0.146 -9.271 673 HD2 PRO 338 2HD PRO 338 -8.332 -0.768 -11.681 674 HD3 PRO 338 1HD PRO 338 -8.671 0.599 -10.594 675 H HIS 339 H HIS 339 -3.821 -1.356 -12.412 676 HA HIS 339 HA HIS 339 -3.994 -1.517 -15.274 677 HB2 HIS 339 2HB HIS 339 -1.789 -1.711 -14.744 678 HB3 HIS 339 1HB HIS 339 -2.161 -2.205 -13.100 679 HD1 HIS 339 1HD HIS 339 -2.180 -3.883 -16.522 680 HD2 HIS 339 2HD HIS 339 -1.257 -4.604 -12.537 681 HE1 HIS 339 1HE HIS 339 -1.221 -6.201 -16.467 682 HE2 HIS 339 2HE HIS 339 -0.585 -6.592 -14.062 683 H ARG 340 H ARG 340 -4.266 -3.548 -16.442 684 HA ARG 340 HA ARG 340 -6.368 -5.179 -15.255 685 HB2 ARG 340 2HB ARG 340 -5.485 -4.542 -18.011 686 HB3 ARG 340 1HB ARG 340 -6.193 -6.132 -17.764 687 HG2 ARG 340 2HG ARG 340 -8.173 -5.035 -16.745 688 HG3 ARG 340 1HG ARG 340 -7.469 -3.473 -17.167 689 HD2 ARG 340 2HD ARG 340 -7.350 -4.436 -19.562 690 HD3 ARG 340 1HD ARG 340 -8.510 -5.626 -18.973 691 HE ARG 340 HE ARG 340 -9.728 -3.393 -18.256 692 HH11 ARG 340 1HH1 ARG 340 -8.142 -4.122 -21.303 693 HH12 ARG 340 2HH1 ARG 340 -9.162 -3.064 -22.219 694 HH21 ARG 340 1HH2 ARG 340 -11.052 -2.014 -19.475 695 HH22 ARG 340 2HH2 ARG 340 -10.809 -1.872 -21.184 696 H TYR 341 H TYR 341 -5.607 -6.721 -13.986 697 HA TYR 341 HA TYR 341 -4.379 -8.434 -13.129 698 HB2 TYR 341 2HB TYR 341 -4.387 -10.485 -14.550 699 HB3 TYR 341 1HB TYR 341 -5.950 -9.695 -14.416 700 HD1 TYR 341 2HD TYR 341 -3.101 -10.351 -16.675 701 HD2 TYR 341 1HD TYR 341 -7.070 -8.851 -16.354 702 HE1 TYR 341 2HE TYR 341 -3.290 -10.343 -19.127 703 HE2 TYR 341 1HE TYR 341 -7.270 -8.842 -18.804 704 HH TYR 341 HH TYR 341 -5.538 -8.689 -20.793 Start of MODEL 8 1 HA SER 5 HA SER 5 42.066 -3.936 -20.038 2 HB2 SER 5 2HB SER 5 41.287 -1.531 -19.801 3 HB3 SER 5 1HB SER 5 42.510 -2.046 -18.641 4 HG SER 5 HG SER 5 42.705 0.063 -19.969 5 H ARG 6 H ARG 6 40.244 -3.676 -21.320 6 HA ARG 6 HA ARG 6 40.806 -3.135 -24.144 7 HB2 ARG 6 2HB ARG 6 38.718 -4.733 -22.704 8 HB3 ARG 6 1HB ARG 6 38.427 -4.196 -24.352 9 HG2 ARG 6 2HG ARG 6 40.508 -5.334 -25.048 10 HG3 ARG 6 1HG ARG 6 40.684 -5.944 -23.401 11 HD2 ARG 6 2HD ARG 6 38.192 -6.750 -23.851 12 HD3 ARG 6 1HD ARG 6 38.754 -6.718 -25.522 13 HE ARG 6 HE ARG 6 40.603 -8.212 -24.707 14 HH11 ARG 6 1HH1 ARG 6 37.494 -8.176 -23.071 15 HH12 ARG 6 2HH1 ARG 6 37.661 -9.793 -22.475 16 HH21 ARG 6 1HH2 ARG 6 40.798 -10.327 -23.916 17 HH22 ARG 6 2HH2 ARG 6 39.529 -11.008 -22.954 18 H LEU 7 H LEU 7 38.505 -2.275 -21.581 19 HA LEU 7 HA LEU 7 37.626 0.019 -23.211 20 HB2 LEU 7 2HB LEU 7 36.012 -1.945 -22.388 21 HB3 LEU 7 1HB LEU 7 35.962 -0.949 -20.946 22 HG LEU 7 HG LEU 7 35.493 0.899 -22.913 23 HD11 LEU 7 1HD1 LEU 7 35.363 -0.875 -24.608 24 HD12 LEU 7 2HD1 LEU 7 33.827 -0.032 -24.405 25 HD13 LEU 7 3HD1 LEU 7 34.055 -1.632 -23.699 26 HD21 LEU 7 3HD2 LEU 7 33.124 0.725 -22.182 27 HD22 LEU 7 1HD2 LEU 7 34.277 0.779 -20.848 28 HD23 LEU 7 2HD2 LEU 7 33.543 -0.754 -21.318 29 H SER 8 H SER 8 37.477 2.028 -22.253 30 HA SER 8 HA SER 8 38.985 2.341 -19.760 31 HB2 SER 8 2HB SER 8 38.817 3.827 -22.224 32 HB3 SER 8 1HB SER 8 38.414 4.875 -20.864 33 HG SER 8 HG SER 8 40.795 4.221 -21.630 34 H ARG 9 H ARG 9 38.157 3.256 -17.953 35 HA ARG 9 HA ARG 9 35.264 3.706 -17.920 36 HB2 ARG 9 2HB ARG 9 35.558 3.575 -15.390 37 HB3 ARG 9 1HB ARG 9 35.802 2.092 -16.290 38 HG2 ARG 9 2HG ARG 9 38.189 3.764 -15.664 39 HG3 ARG 9 1HG ARG 9 37.444 2.850 -14.354 40 HD2 ARG 9 2HD ARG 9 38.647 1.092 -15.035 41 HD3 ARG 9 1HD ARG 9 37.624 1.037 -16.469 42 HE ARG 9 HE ARG 9 39.289 2.232 -17.664 43 HH11 ARG 9 1HH1 ARG 9 40.333 1.336 -14.432 44 HH12 ARG 9 2HH1 ARG 9 42.014 1.549 -14.793 45 HH21 ARG 9 1HH2 ARG 9 41.493 2.503 -18.113 46 HH22 ARG 9 2HH2 ARG 9 42.669 2.209 -16.876 47 H SER 10 H SER 10 34.831 5.743 -18.440 48 HA SER 10 HA SER 10 35.815 7.862 -16.687 49 HB2 SER 10 2HB SER 10 36.292 7.713 -19.633 50 HB3 SER 10 1HB SER 10 35.920 9.289 -18.934 51 HG SER 10 HG SER 10 37.740 7.984 -17.432 52 H GLY 11 H GLY 11 34.161 9.012 -15.968 53 HA2 GLY 11 2HA GLY 11 32.249 10.391 -16.241 54 HA3 GLY 11 1HA GLY 11 31.856 9.514 -17.711 55 H ALA 12 H ALA 12 29.713 9.710 -16.502 56 HA ALA 12 HA ALA 12 29.321 7.272 -14.892 57 HB1 ALA 12 3HB ALA 12 27.972 9.934 -14.456 58 HB2 ALA 12 1HB ALA 12 29.191 9.196 -13.416 59 HB3 ALA 12 2HB ALA 12 27.605 8.443 -13.588 60 H SER 13 H SER 13 28.005 9.533 -17.247 61 HA SER 13 HA SER 13 25.681 7.819 -17.714 62 HB2 SER 13 2HB SER 13 24.985 9.694 -19.269 63 HB3 SER 13 1HB SER 13 25.118 10.139 -17.568 64 HG SER 13 HG SER 13 27.021 10.632 -19.615 65 H SER 14 H SER 14 25.701 6.326 -19.221 66 HA SER 14 HA SER 14 27.247 6.718 -21.683 67 HB2 SER 14 2HB SER 14 27.421 4.332 -19.839 68 HB3 SER 14 1HB SER 14 27.893 4.244 -21.535 69 HG SER 14 HG SER 14 29.739 4.847 -20.653 70 H LEU 15 H LEU 15 24.315 6.397 -20.495 71 HA LEU 15 HA LEU 15 22.269 5.779 -21.229 72 HB2 LEU 15 2HB LEU 15 23.764 5.441 -23.827 73 HB3 LEU 15 1HB LEU 15 22.030 5.211 -23.695 74 HG LEU 15 HG LEU 15 22.921 7.763 -22.589 75 HD11 LEU 15 1HD1 LEU 15 24.592 7.615 -24.335 76 HD12 LEU 15 2HD1 LEU 15 23.363 8.804 -24.770 77 HD13 LEU 15 3HD1 LEU 15 23.351 7.207 -25.520 78 HD21 LEU 15 3HD2 LEU 15 21.017 8.585 -23.725 79 HD22 LEU 15 1HD2 LEU 15 20.572 6.997 -23.103 80 HD23 LEU 15 2HD2 LEU 15 20.973 7.194 -24.809 81 H TRP 16 H TRP 16 23.788 3.844 -19.875 82 HA TRP 16 HA TRP 16 22.570 1.387 -20.924 83 HB2 TRP 16 2HB TRP 16 24.537 0.072 -20.268 84 HB3 TRP 16 1HB TRP 16 24.955 1.281 -21.466 85 HD1 TRP 16 HD TRP 16 25.089 3.504 -18.768 86 HE1 TRP 16 1HE TRP 16 27.353 3.552 -17.552 87 HE3 TRP 16 3HE TRP 16 27.029 -0.934 -20.450 88 HZ2 TRP 16 2HZ TRP 16 29.650 1.939 -17.330 89 HZ3 TRP 16 3HZ TRP 16 29.270 -1.598 -19.682 90 HH2 TRP 16 HH TRP 16 30.551 -0.190 -18.155 91 H ASP 17 H ASP 17 22.357 -0.339 -19.226 92 HA ASP 17 HA ASP 17 21.245 0.838 -16.831 93 HB2 ASP 17 2HB ASP 17 20.574 -1.576 -16.335 94 HB3 ASP 17 1HB ASP 17 19.865 -0.836 -17.762 95 HA PRO 18 HA PRO 18 24.874 0.086 -14.314 96 HB2 PRO 18 2HB PRO 18 23.797 0.514 -11.863 97 HB3 PRO 18 1HB PRO 18 24.163 1.825 -12.990 98 HG2 PRO 18 2HG PRO 18 21.540 0.511 -12.399 99 HG3 PRO 18 1HG PRO 18 21.903 2.230 -12.635 100 HD2 PRO 18 2HD PRO 18 20.816 0.664 -14.574 101 HD3 PRO 18 1HD PRO 18 21.861 2.053 -14.926 102 H ALA 19 H ALA 19 25.743 -1.397 -12.789 103 HA ALA 19 HA ALA 19 24.155 -3.861 -12.499 104 HB1 ALA 19 3HB ALA 19 27.153 -3.636 -12.388 105 HB2 ALA 19 1HB ALA 19 26.249 -3.953 -13.869 106 HB3 ALA 19 2HB ALA 19 26.182 -5.101 -12.532 107 H SER 20 H SER 20 25.789 -1.374 -10.721 108 HA SER 20 HA SER 20 24.966 -2.618 -8.222 109 HB2 SER 20 2HB SER 20 27.662 -2.746 -9.034 110 HB3 SER 20 1HB SER 20 27.592 -1.505 -7.784 111 HG SER 20 HG SER 20 26.688 -2.993 -6.386 112 HA PRO 21 HA PRO 21 25.721 2.052 -7.346 113 HB2 PRO 21 2HB PRO 21 26.606 3.421 -9.747 114 HB3 PRO 21 1HB PRO 21 27.419 3.297 -8.186 115 HG2 PRO 21 2HG PRO 21 28.355 2.098 -10.441 116 HG3 PRO 21 1HG PRO 21 28.626 1.445 -8.814 117 HD2 PRO 21 2HD PRO 21 26.584 0.639 -10.863 118 HD3 PRO 21 1HD PRO 21 27.613 -0.387 -9.837 119 H ALA 22 H ALA 22 23.890 3.161 -7.191 120 HA ALA 22 HA ALA 22 22.308 3.700 -9.614 121 HB1 ALA 22 3HB ALA 22 21.298 1.812 -8.442 122 HB2 ALA 22 1HB ALA 22 20.250 3.228 -8.375 123 HB3 ALA 22 2HB ALA 22 21.202 2.768 -6.963 124 HA PRO 23 HA PRO 23 22.929 7.717 -7.389 125 HB2 PRO 23 2HB PRO 23 22.913 8.933 -10.037 126 HB3 PRO 23 1HB PRO 23 24.200 8.923 -8.829 127 HG2 PRO 23 2HG PRO 23 24.376 7.558 -11.164 128 HG3 PRO 23 1HG PRO 23 25.152 7.005 -9.668 129 HD2 PRO 23 2HD PRO 23 22.584 6.089 -10.921 130 HD3 PRO 23 1HD PRO 23 23.886 5.129 -10.184 131 H THR 24 H THR 24 20.795 7.086 -10.164 132 HA THR 24 HA THR 24 18.737 8.766 -8.887 133 HB THR 24 HB THR 24 17.915 9.166 -11.312 134 HG1 THR 24 1HG THR 24 20.423 9.251 -12.292 135 HG21 THR 24 1HG2 THR 24 19.536 11.104 -11.556 136 HG22 THR 24 2HG2 THR 24 20.332 10.494 -10.105 137 HG23 THR 24 3HG2 THR 24 18.649 11.017 -10.034 138 H SER 25 H SER 25 16.554 8.169 -9.294 139 HA SER 25 HA SER 25 16.225 5.297 -9.791 140 HB2 SER 25 2HB SER 25 14.454 7.322 -8.406 141 HB3 SER 25 1HB SER 25 13.975 5.652 -8.709 142 HG SER 25 HG SER 25 16.409 5.738 -7.559 143 H GLY 26 H GLY 26 14.991 4.503 -11.410 144 HA2 GLY 26 2HA GLY 26 13.190 6.225 -12.908 145 HA3 GLY 26 1HA GLY 26 14.605 5.672 -13.791 146 HA PRO 27 HA PRO 27 12.672 1.799 -14.785 147 HB2 PRO 27 2HB PRO 27 14.379 -0.178 -13.975 148 HB3 PRO 27 1HB PRO 27 14.643 0.822 -15.408 149 HG2 PRO 27 2HG PRO 27 15.825 1.083 -12.669 150 HG3 PRO 27 1HG PRO 27 16.609 1.260 -14.249 151 HD2 PRO 27 2HD PRO 27 15.870 3.391 -12.770 152 HD3 PRO 27 1HD PRO 27 15.815 3.411 -14.544 153 H ARG 28 H ARG 28 13.877 1.814 -11.447 154 HA ARG 28 HA ARG 28 11.467 0.334 -10.636 155 HB2 ARG 28 2HB ARG 28 13.960 -0.760 -10.540 156 HB3 ARG 28 1HB ARG 28 13.848 -0.046 -8.938 157 HG2 ARG 28 2HG ARG 28 11.778 -1.281 -8.529 158 HG3 ARG 28 1HG ARG 28 11.896 -2.001 -10.136 159 HD2 ARG 28 2HD ARG 28 13.756 -3.278 -9.564 160 HD3 ARG 28 1HD ARG 28 14.154 -2.252 -8.186 161 HE ARG 28 HE ARG 28 11.683 -3.817 -8.097 162 HH11 ARG 28 1HH1 ARG 28 14.952 -3.341 -6.908 163 HH12 ARG 28 2HH1 ARG 28 14.726 -4.375 -5.537 164 HH21 ARG 28 1HH2 ARG 28 11.410 -5.166 -6.296 165 HH22 ARG 28 2HH2 ARG 28 12.722 -5.407 -5.192 166 HA PRO 29 HA PRO 29 11.364 4.078 -8.052 167 HB2 PRO 29 2HB PRO 29 8.704 4.129 -7.611 168 HB3 PRO 29 1HB PRO 29 9.418 4.660 -9.137 169 HG2 PRO 29 2HG PRO 29 8.001 2.123 -8.486 170 HG3 PRO 29 1HG PRO 29 7.994 3.058 -9.989 171 HD2 PRO 29 2HD PRO 29 9.501 0.760 -9.512 172 HD3 PRO 29 1HD PRO 29 9.801 1.939 -10.803 173 H ARG 30 H ARG 30 10.546 4.566 -5.829 174 HA ARG 30 HA ARG 30 10.516 2.140 -4.153 175 HB2 ARG 30 2HB ARG 30 11.812 4.827 -3.727 176 HB3 ARG 30 1HB ARG 30 11.475 3.753 -2.377 177 HG2 ARG 30 2HG ARG 30 13.547 2.986 -2.777 178 HG3 ARG 30 1HG ARG 30 12.768 2.063 -4.063 179 HD2 ARG 30 2HD ARG 30 14.506 3.068 -5.199 180 HD3 ARG 30 1HD ARG 30 13.193 4.210 -5.480 181 HE ARG 30 HE ARG 30 14.174 5.671 -3.872 182 HH11 ARG 30 1HH1 ARG 30 16.205 2.911 -4.646 183 HH12 ARG 30 2HH1 ARG 30 17.646 3.656 -4.040 184 HH21 ARG 30 1HH2 ARG 30 16.073 6.625 -3.084 185 HH22 ARG 30 2HH2 ARG 30 17.570 5.757 -3.156 186 H LEU 31 H LEU 31 9.534 2.516 -1.950 187 HA LEU 31 HA LEU 31 6.847 3.534 -2.240 188 HB2 LEU 31 2HB LEU 31 8.372 1.924 -0.267 189 HB3 LEU 31 1HB LEU 31 7.041 2.857 0.375 190 HG LEU 31 HG LEU 31 6.153 0.723 0.003 191 HD11 LEU 31 1HD1 LEU 31 4.944 2.745 -1.111 192 HD12 LEU 31 2HD1 LEU 31 4.357 1.095 -1.331 193 HD13 LEU 31 3HD1 LEU 31 5.304 1.871 -2.600 194 HD21 LEU 31 3HD2 LEU 31 6.407 -0.603 -1.987 195 HD22 LEU 31 1HD2 LEU 31 7.995 -0.157 -1.362 196 HD23 LEU 31 2HD2 LEU 31 7.332 0.681 -2.765 197 H TRP 32 H TRP 32 6.369 5.600 -1.996 198 HA TRP 32 HA TRP 32 7.432 7.126 0.246 199 HB2 TRP 32 2HB TRP 32 8.215 8.992 -1.107 200 HB3 TRP 32 1HB TRP 32 9.045 7.527 -1.610 201 HD1 TRP 32 HD TRP 32 7.743 6.332 -3.905 202 HE1 TRP 32 1HE TRP 32 6.995 7.559 -6.034 203 HE3 TRP 32 3HE TRP 32 7.532 11.113 -2.078 204 HZ2 TRP 32 2HZ TRP 32 6.408 10.194 -6.847 205 HZ3 TRP 32 3HZ TRP 32 6.872 12.926 -3.604 206 HH2 TRP 32 HH TRP 32 6.322 12.474 -5.940 207 H GLU 33 H GLU 33 6.278 9.218 0.542 208 HA GLU 33 HA GLU 33 3.477 8.882 0.366 209 HB2 GLU 33 2HB GLU 33 5.263 11.148 1.185 210 HB3 GLU 33 1HB GLU 33 3.529 11.402 1.042 211 HG2 GLU 33 2HG GLU 33 3.109 9.669 2.679 212 HG3 GLU 33 1HG GLU 33 4.835 9.321 2.781 213 H GLY 34 H GLY 34 2.231 9.078 -1.348 214 HA2 GLY 34 2HA GLY 34 1.162 10.358 -3.031 215 HA3 GLY 34 1HA GLY 34 2.628 11.307 -3.215 216 H GLN 35 H GLN 35 2.680 7.818 -3.058 217 HA GLN 35 HA GLN 35 3.593 7.738 -5.848 218 HB2 GLN 35 2HB GLN 35 5.302 6.812 -4.562 219 HB3 GLN 35 1HB GLN 35 4.189 6.122 -3.391 220 HG2 GLN 35 2HG GLN 35 4.337 4.137 -4.383 221 HG3 GLN 35 1HG GLN 35 3.794 4.828 -5.913 222 HE21 GLN 35 1HE2 GLN 35 5.822 2.768 -5.124 223 HE22 GLN 35 2HE2 GLN 35 7.271 3.241 -5.931 224 H ASP 36 H ASP 36 2.129 7.095 -7.302 225 HA ASP 36 HA ASP 36 -0.336 5.849 -6.566 226 HB2 ASP 36 2HB ASP 36 0.917 6.266 -9.287 227 HB3 ASP 36 1HB ASP 36 -0.689 5.605 -9.041 228 H VAL 37 H VAL 37 -0.417 3.886 -5.842 229 HA VAL 37 HA VAL 37 1.360 1.834 -6.971 230 HB VAL 37 HB VAL 37 1.018 0.628 -4.815 231 HG11 VAL 37 1HG1 VAL 37 2.545 2.037 -3.512 232 HG12 VAL 37 2HG1 VAL 37 2.227 3.377 -4.613 233 HG13 VAL 37 3HG1 VAL 37 3.028 1.922 -5.203 234 HG21 VAL 37 3HG2 VAL 37 -1.130 1.952 -4.267 235 HG22 VAL 37 1HG2 VAL 37 -0.040 3.184 -3.632 236 HG23 VAL 37 2HG2 VAL 37 -0.035 1.560 -2.946 237 H LEU 38 H LEU 38 0.598 -0.373 -6.794 238 HA LEU 38 HA LEU 38 -2.292 -0.654 -7.263 239 HB2 LEU 38 2HB LEU 38 0.021 -2.082 -8.555 240 HB3 LEU 38 1HB LEU 38 -1.646 -2.591 -8.718 241 HG LEU 38 HG LEU 38 -0.750 0.161 -9.540 242 HD11 LEU 38 1HD1 LEU 38 -0.964 -1.101 -11.891 243 HD12 LEU 38 2HD1 LEU 38 -0.337 -2.422 -10.907 244 HD13 LEU 38 3HD1 LEU 38 0.565 -0.912 -11.032 245 HD21 LEU 38 3HD2 LEU 38 -3.235 -1.193 -9.417 246 HD22 LEU 38 1HD2 LEU 38 -2.830 -0.956 -11.117 247 HD23 LEU 38 2HD2 LEU 38 -2.899 0.427 -10.024 248 H ALA 39 H ALA 39 -2.973 -1.296 -5.380 249 HA ALA 39 HA ALA 39 -1.511 -3.234 -3.781 250 HB1 ALA 39 3HB ALA 39 -2.909 -1.061 -3.075 251 HB2 ALA 39 1HB ALA 39 -2.730 -2.457 -2.017 252 HB3 ALA 39 2HB ALA 39 -4.195 -2.262 -2.966 253 H ARG 40 H ARG 40 -1.734 -5.279 -4.379 254 HA ARG 40 HA ARG 40 -3.924 -6.323 -5.861 255 HB2 ARG 40 2HB ARG 40 -1.348 -7.094 -5.408 256 HB3 ARG 40 1HB ARG 40 -2.228 -8.221 -4.400 257 HG2 ARG 40 2HG ARG 40 -3.434 -9.093 -6.240 258 HG3 ARG 40 1HG ARG 40 -2.885 -7.794 -7.297 259 HD2 ARG 40 2HD ARG 40 -1.556 -9.610 -7.907 260 HD3 ARG 40 1HD ARG 40 -0.522 -8.676 -6.831 261 HE ARG 40 HE ARG 40 -2.021 -11.048 -5.920 262 HH11 ARG 40 1HH1 ARG 40 0.972 -9.212 -6.068 263 HH12 ARG 40 2HH1 ARG 40 1.825 -10.303 -5.027 264 HH21 ARG 40 1HH2 ARG 40 -0.881 -12.460 -4.562 265 HH22 ARG 40 2HH2 ARG 40 0.776 -12.139 -4.178 266 H TRP 41 H TRP 41 -5.806 -7.090 -5.185 267 HA TRP 41 HA TRP 41 -6.313 -7.341 -2.334 268 HB2 TRP 41 2HB TRP 41 -7.836 -6.047 -3.813 269 HB3 TRP 41 1HB TRP 41 -8.287 -7.544 -4.617 270 HD1 TRP 41 HD TRP 41 -8.000 -7.172 -0.753 271 HE1 TRP 41 1HE TRP 41 -10.330 -7.578 0.260 272 HE3 TRP 41 3HE TRP 41 -10.694 -7.547 -5.061 273 HZ2 TRP 41 2HZ TRP 41 -12.972 -7.999 -0.653 274 HZ3 TRP 41 3HZ TRP 41 -13.123 -7.949 -4.918 275 HH2 TRP 41 HH TRP 41 -14.235 -8.170 -2.754 276 H THR 42 H THR 42 -7.410 -9.160 -1.410 277 HA THR 42 HA THR 42 -6.153 -11.626 -2.061 278 HB THR 42 HB THR 42 -7.726 -12.538 -0.247 279 HG1 THR 42 1HG THR 42 -9.083 -11.174 0.660 280 HG21 THR 42 1HG2 THR 42 -5.724 -10.340 0.242 281 HG22 THR 42 2HG2 THR 42 -5.466 -12.084 0.310 282 HG23 THR 42 3HG2 THR 42 -6.443 -11.288 1.544 283 H ASP 43 H ASP 43 -8.914 -10.286 -3.435 284 HA ASP 43 HA ASP 43 -10.275 -12.839 -3.830 285 HB2 ASP 43 2HB ASP 43 -11.049 -10.048 -3.908 286 HB3 ASP 43 1HB ASP 43 -11.588 -10.901 -5.356 287 H GLY 44 H GLY 44 -7.755 -11.272 -5.267 288 HA2 GLY 44 2HA GLY 44 -6.653 -12.266 -7.156 289 HA3 GLY 44 1HA GLY 44 -8.230 -12.660 -7.817 290 H LEU 45 H LEU 45 -8.967 -9.766 -6.894 291 HA LEU 45 HA LEU 45 -8.240 -8.527 -9.429 292 HB2 LEU 45 2HB LEU 45 -10.250 -7.854 -7.297 293 HB3 LEU 45 1HB LEU 45 -9.889 -6.758 -8.622 294 HG LEU 45 HG LEU 45 -10.515 -9.463 -9.526 295 HD11 LEU 45 1HD1 LEU 45 -11.969 -9.493 -7.607 296 HD12 LEU 45 2HD1 LEU 45 -12.931 -9.269 -9.069 297 HD13 LEU 45 3HD1 LEU 45 -12.596 -7.896 -8.014 298 HD21 LEU 45 3HD2 LEU 45 -11.852 -8.281 -11.117 299 HD22 LEU 45 1HD2 LEU 45 -10.330 -7.412 -10.925 300 HD23 LEU 45 2HD2 LEU 45 -11.793 -6.808 -10.147 301 H LEU 46 H LEU 46 -7.310 -6.486 -9.604 302 HA LEU 46 HA LEU 46 -5.479 -5.769 -7.468 303 HB2 LEU 46 2HB LEU 46 -4.748 -6.030 -9.823 304 HB3 LEU 46 1HB LEU 46 -5.820 -4.719 -10.281 305 HG LEU 46 HG LEU 46 -4.404 -3.284 -8.674 306 HD11 LEU 46 1HD1 LEU 46 -2.002 -4.706 -9.236 307 HD12 LEU 46 2HD1 LEU 46 -3.092 -5.766 -8.346 308 HD13 LEU 46 3HD1 LEU 46 -2.649 -4.201 -7.674 309 HD21 LEU 46 3HD2 LEU 46 -2.619 -3.258 -10.604 310 HD22 LEU 46 1HD2 LEU 46 -4.267 -2.692 -10.849 311 HD23 LEU 46 2HD2 LEU 46 -3.806 -4.305 -11.382 312 H TYR 47 H TYR 47 -5.126 -3.417 -7.018 313 HA TYR 47 HA TYR 47 -7.538 -1.744 -7.147 314 HB2 TYR 47 2HB TYR 47 -6.040 -2.562 -4.650 315 HB3 TYR 47 1HB TYR 47 -6.950 -1.064 -4.717 316 HD1 TYR 47 1HD TYR 47 -8.935 -3.277 -6.574 317 HD2 TYR 47 2HD TYR 47 -7.656 -2.555 -2.579 318 HE1 TYR 47 1HE TYR 47 -10.934 -4.418 -5.732 319 HE2 TYR 47 2HE TYR 47 -9.650 -3.706 -1.733 320 HH TYR 47 HH TYR 47 -12.074 -5.059 -3.945 321 H LEU 48 H LEU 48 -7.058 0.423 -7.441 322 HA LEU 48 HA LEU 48 -4.218 1.113 -7.643 323 HB2 LEU 48 2HB LEU 48 -5.501 1.600 -9.626 324 HB3 LEU 48 1HB LEU 48 -6.690 2.492 -8.704 325 HG LEU 48 HG LEU 48 -4.734 4.101 -8.144 326 HD11 LEU 48 1HD1 LEU 48 -3.601 2.768 -10.599 327 HD12 LEU 48 2HD1 LEU 48 -2.929 2.675 -8.971 328 HD13 LEU 48 3HD1 LEU 48 -2.977 4.222 -9.819 329 HD21 LEU 48 3HD2 LEU 48 -6.551 4.826 -9.487 330 HD22 LEU 48 1HD2 LEU 48 -5.989 3.887 -10.870 331 HD23 LEU 48 2HD2 LEU 48 -5.070 5.290 -10.324 332 H GLY 49 H GLY 49 -3.284 2.774 -6.530 333 HA2 GLY 49 2HA GLY 49 -4.856 4.478 -4.794 334 HA3 GLY 49 1HA GLY 49 -3.928 3.265 -3.941 335 H THR 50 H THR 50 -3.340 5.586 -3.137 336 HA THR 50 HA THR 50 -0.720 6.202 -4.309 337 HB THR 50 HB THR 50 -1.955 8.558 -3.099 338 HG1 THR 50 1HG THR 50 -2.978 7.930 -5.653 339 HG21 THR 50 1HG2 THR 50 -1.034 9.630 -5.108 340 HG22 THR 50 2HG2 THR 50 -0.685 8.044 -5.795 341 HG23 THR 50 3HG2 THR 50 0.158 8.580 -4.342 342 H ILE 51 H ILE 51 0.849 6.288 -2.865 343 HA ILE 51 HA ILE 51 0.458 5.286 -0.280 344 HB ILE 51 HB ILE 51 2.902 6.638 -1.422 345 HG12 ILE 51 2HG1 ILE 51 2.099 4.700 -2.728 346 HG13 ILE 51 1HG1 ILE 51 3.655 4.380 -1.984 347 HG21 ILE 51 1HG2 ILE 51 3.292 4.573 0.636 348 HG22 ILE 51 2HG2 ILE 51 2.545 6.056 1.228 349 HG23 ILE 51 3HG2 ILE 51 4.111 6.120 0.418 350 HD11 ILE 51 3HD1 ILE 51 2.748 2.469 -1.287 351 HD12 ILE 51 1HD1 ILE 51 1.124 3.013 -1.670 352 HD13 ILE 51 2HD1 ILE 51 1.851 3.435 -0.124 353 H LYS 52 H LYS 52 -0.314 6.169 1.416 354 HA LYS 52 HA LYS 52 -0.106 9.058 1.861 355 HB2 LYS 52 2HB LYS 52 -2.191 7.254 2.219 356 HB3 LYS 52 1HB LYS 52 -1.611 7.553 3.852 357 HG2 LYS 52 2HG LYS 52 -1.813 10.003 3.381 358 HG3 LYS 52 1HG LYS 52 -2.602 9.578 1.862 359 HD2 LYS 52 2HD LYS 52 -4.534 9.509 2.987 360 HD3 LYS 52 1HD LYS 52 -3.921 8.072 3.807 361 HE2 LYS 52 2HE LYS 52 -4.556 9.510 5.540 362 HE3 LYS 52 1HE LYS 52 -2.806 9.693 5.438 363 HZ1 LYS 52 3HZ LYS 52 -3.046 11.844 5.031 364 HZ2 LYS 52 1HZ LYS 52 -4.710 11.691 5.300 365 HZ3 LYS 52 2HZ LYS 52 -4.090 11.552 3.732 366 H LYS 53 H LYS 53 1.062 5.997 3.024 367 HA LYS 53 HA LYS 53 2.874 7.341 4.860 368 HB2 LYS 53 2HB LYS 53 0.575 6.273 5.927 369 HB3 LYS 53 1HB LYS 53 1.704 4.937 6.088 370 HG2 LYS 53 2HG LYS 53 2.906 5.963 7.699 371 HG3 LYS 53 1HG LYS 53 2.728 7.557 6.970 372 HD2 LYS 53 2HD LYS 53 0.254 6.395 8.085 373 HD3 LYS 53 1HD LYS 53 1.506 6.790 9.263 374 HE2 LYS 53 2HE LYS 53 1.402 9.043 8.827 375 HE3 LYS 53 1HE LYS 53 0.833 8.804 7.174 376 HZ1 LYS 53 3HZ LYS 53 -1.243 7.850 8.457 377 HZ2 LYS 53 1HZ LYS 53 -1.079 9.505 8.141 378 HZ3 LYS 53 2HZ LYS 53 -0.688 8.893 9.668 379 H VAL 54 H VAL 54 4.610 5.896 5.604 380 HA VAL 54 HA VAL 54 5.005 3.522 3.926 381 HB VAL 54 HB VAL 54 7.004 5.796 4.143 382 HG11 VAL 54 1HG1 VAL 54 7.456 3.265 2.592 383 HG12 VAL 54 2HG1 VAL 54 7.990 3.436 4.263 384 HG13 VAL 54 3HG1 VAL 54 8.620 4.516 3.019 385 HG21 VAL 54 3HG2 VAL 54 6.805 5.342 1.523 386 HG22 VAL 54 1HG2 VAL 54 5.731 6.455 2.373 387 HG23 VAL 54 2HG2 VAL 54 5.195 4.815 2.009 388 H ASP 55 H ASP 55 5.933 1.875 4.891 389 HA ASP 55 HA ASP 55 7.238 2.246 7.501 390 HB2 ASP 55 2HB ASP 55 5.073 0.357 6.674 391 HB3 ASP 55 1HB ASP 55 6.301 -0.246 7.789 392 H SER 56 H SER 56 9.222 2.354 6.324 393 HA SER 56 HA SER 56 10.119 0.223 4.639 394 HB2 SER 56 2HB SER 56 11.726 2.433 5.936 395 HB3 SER 56 1HB SER 56 12.235 1.430 4.579 396 HG SER 56 HG SER 56 10.058 2.351 3.707 397 H ALA 57 H ALA 57 9.720 0.238 7.909 398 HA ALA 57 HA ALA 57 12.154 -1.194 8.614 399 HB1 ALA 57 3HB ALA 57 11.160 0.459 10.162 400 HB2 ALA 57 1HB ALA 57 11.331 -1.144 10.879 401 HB3 ALA 57 2HB ALA 57 9.750 -0.588 10.330 402 H ARG 58 H ARG 58 8.694 -1.850 8.242 403 HA ARG 58 HA ARG 58 9.207 -4.725 8.612 404 HB2 ARG 58 2HB ARG 58 6.796 -3.003 9.068 405 HB3 ARG 58 1HB ARG 58 6.596 -4.724 8.774 406 HG2 ARG 58 2HG ARG 58 7.563 -5.317 10.767 407 HG3 ARG 58 1HG ARG 58 8.531 -3.845 10.858 408 HD2 ARG 58 2HD ARG 58 6.542 -2.546 11.376 409 HD3 ARG 58 1HD ARG 58 5.540 -3.989 11.224 410 HE ARG 58 HE ARG 58 6.908 -4.868 13.152 411 HH11 ARG 58 1HH1 ARG 58 6.369 -1.419 12.742 412 HH12 ARG 58 2HH1 ARG 58 6.556 -1.075 14.428 413 HH21 ARG 58 1HH2 ARG 58 7.146 -4.390 15.354 414 HH22 ARG 58 2HH2 ARG 58 6.996 -2.755 15.904 415 H GLU 59 H GLU 59 9.210 -2.701 6.133 416 HA GLU 59 HA GLU 59 8.866 -2.793 3.887 417 HB2 GLU 59 2HB GLU 59 8.659 -5.732 4.538 418 HB3 GLU 59 1HB GLU 59 8.484 -5.141 2.892 419 HG2 GLU 59 2HG GLU 59 10.876 -4.318 4.461 420 HG3 GLU 59 1HG GLU 59 10.804 -5.957 3.804 421 H VAL 60 H VAL 60 6.798 -1.833 5.237 422 HA VAL 60 HA VAL 60 4.469 -2.734 3.684 423 HB VAL 60 HB VAL 60 4.066 -1.691 6.474 424 HG11 VAL 60 1HG1 VAL 60 1.987 -1.829 5.602 425 HG12 VAL 60 2HG1 VAL 60 2.136 -3.512 6.105 426 HG13 VAL 60 3HG1 VAL 60 2.440 -3.065 4.430 427 HG21 VAL 60 3HG2 VAL 60 4.906 -4.472 5.767 428 HG22 VAL 60 1HG2 VAL 60 3.789 -4.206 7.106 429 HG23 VAL 60 2HG2 VAL 60 5.390 -3.468 7.134 430 H CYS 61 H CYS 61 2.785 -1.029 3.496 431 HA CYS 61 HA CYS 61 3.510 1.719 4.083 432 HB2 CYS 61 2HB CYS 61 3.616 0.613 1.306 433 HB3 CYS 61 1HB CYS 61 2.988 2.241 1.546 434 HG CYS 61 HG CYS 61 6.142 1.120 1.771 435 H LEU 62 H LEU 62 1.792 3.110 4.033 436 HA LEU 62 HA LEU 62 -0.835 1.845 3.737 437 HB2 LEU 62 2HB LEU 62 0.136 3.419 5.765 438 HB3 LEU 62 1HB LEU 62 -0.716 4.588 4.785 439 HG LEU 62 HG LEU 62 -2.261 3.932 6.428 440 HD11 LEU 62 1HD1 LEU 62 -3.229 2.017 4.379 441 HD12 LEU 62 2HD1 LEU 62 -2.957 3.686 3.878 442 HD13 LEU 62 3HD1 LEU 62 -4.074 3.333 5.196 443 HD21 LEU 62 3HD2 LEU 62 -1.516 2.088 7.519 444 HD22 LEU 62 1HD2 LEU 62 -1.119 1.225 6.032 445 HD23 LEU 62 2HD2 LEU 62 -2.798 1.351 6.560 446 H VAL 63 H VAL 63 -2.239 2.493 2.213 447 HA VAL 63 HA VAL 63 -1.523 4.829 0.604 448 HB VAL 63 HB VAL 63 -0.976 3.623 -1.188 449 HG11 VAL 63 1HG1 VAL 63 -1.538 1.305 0.595 450 HG12 VAL 63 2HG1 VAL 63 0.009 1.922 0.018 451 HG13 VAL 63 3HG1 VAL 63 -1.066 1.064 -1.085 452 HG21 VAL 63 3HG2 VAL 63 -2.525 2.298 -2.433 453 HG22 VAL 63 1HG2 VAL 63 -3.343 3.725 -1.796 454 HG23 VAL 63 2HG2 VAL 63 -3.582 2.156 -1.028 455 H GLN 64 H GLN 64 -3.139 5.962 -0.307 456 HA GLN 64 HA GLN 64 -5.837 5.423 0.691 457 HB2 GLN 64 2HB GLN 64 -4.611 7.717 0.898 458 HB3 GLN 64 1HB GLN 64 -4.999 7.910 -0.804 459 HG2 GLN 64 2HG GLN 64 -7.085 8.539 -0.329 460 HG3 GLN 64 1HG GLN 64 -7.341 7.121 0.690 461 HE21 GLN 64 1HE2 GLN 64 -7.809 7.550 2.712 462 HE22 GLN 64 2HE2 GLN 64 -7.340 8.957 3.598 463 H PHE 65 H PHE 65 -7.460 4.849 -0.671 464 HA PHE 65 HA PHE 65 -6.713 4.362 -3.451 465 HB2 PHE 65 2HB PHE 65 -8.840 3.146 -1.688 466 HB3 PHE 65 1HB PHE 65 -8.624 2.744 -3.396 467 HD1 PHE 65 2HD PHE 65 -6.952 2.661 -0.080 468 HD2 PHE 65 1HD PHE 65 -6.965 1.250 -4.076 469 HE1 PHE 65 2HE PHE 65 -5.205 1.024 0.497 470 HE2 PHE 65 1HE PHE 65 -5.222 -0.380 -3.515 471 HZ PHE 65 HZ PHE 65 -4.360 -0.504 -1.232 472 H GLU 66 H GLU 66 -8.416 4.472 -5.102 473 HA GLU 66 HA GLU 66 -9.344 7.040 -5.514 474 HB2 GLU 66 2HB GLU 66 -9.158 4.809 -7.023 475 HB3 GLU 66 1HB GLU 66 -10.904 4.946 -6.845 476 HG2 GLU 66 2HG GLU 66 -10.504 6.149 -8.767 477 HG3 GLU 66 1HG GLU 66 -10.551 7.407 -7.533 478 H ASP 67 H ASP 67 -11.191 4.245 -4.228 479 HA ASP 67 HA ASP 67 -13.565 5.910 -3.983 480 HB2 ASP 67 2HB ASP 67 -13.669 3.557 -4.768 481 HB3 ASP 67 1HB ASP 67 -13.134 3.024 -3.184 482 H ASP 68 H ASP 68 -11.253 6.697 -2.452 483 HA ASP 68 HA ASP 68 -10.589 7.439 -0.426 484 HB2 ASP 68 2HB ASP 68 -13.581 7.550 -0.166 485 HB3 ASP 68 1HB ASP 68 -12.533 8.095 1.141 486 H SER 69 H SER 69 -9.873 4.985 -0.339 487 HA SER 69 HA SER 69 -10.779 3.963 2.272 488 HB2 SER 69 2HB SER 69 -11.156 2.607 -0.037 489 HB3 SER 69 1HB SER 69 -9.554 1.997 0.408 490 HG SER 69 HG SER 69 -11.047 2.001 2.594 491 H GLN 70 H GLN 70 -9.290 3.846 3.789 492 HA GLN 70 HA GLN 70 -6.466 4.073 3.039 493 HB2 GLN 70 2HB GLN 70 -8.057 4.842 5.411 494 HB3 GLN 70 1HB GLN 70 -6.474 4.166 5.771 495 HG2 GLN 70 2HG GLN 70 -6.759 6.350 3.750 496 HG3 GLN 70 1HG GLN 70 -6.728 6.719 5.473 497 HE21 GLN 70 1HE2 GLN 70 -4.898 6.053 2.718 498 HE22 GLN 70 2HE2 GLN 70 -3.341 5.952 3.474 499 H PHE 71 H PHE 71 -5.928 2.090 2.406 500 HA PHE 71 HA PHE 71 -6.391 -0.151 4.259 501 HB2 PHE 71 2HB PHE 71 -6.832 0.207 1.399 502 HB3 PHE 71 1HB PHE 71 -5.904 -1.243 1.739 503 HD1 PHE 71 1HD PHE 71 -8.360 -0.273 4.288 504 HD2 PHE 71 2HD PHE 71 -7.786 -2.400 0.647 505 HE1 PHE 71 1HE PHE 71 -10.454 -1.490 4.673 506 HE2 PHE 71 2HE PHE 71 -9.881 -3.626 1.032 507 HZ PHE 71 HZ PHE 71 -11.220 -3.169 3.046 508 H LEU 72 H LEU 72 -4.725 -1.166 5.052 509 HA LEU 72 HA LEU 72 -2.036 -0.322 4.529 510 HB2 LEU 72 2HB LEU 72 -3.013 -0.958 6.761 511 HB3 LEU 72 1HB LEU 72 -3.041 -2.624 6.215 512 HG LEU 72 HG LEU 72 -0.394 -1.428 5.963 513 HD11 LEU 72 1HD1 LEU 72 -1.625 -1.618 8.709 514 HD12 LEU 72 2HD1 LEU 72 -1.120 -0.136 7.899 515 HD13 LEU 72 3HD1 LEU 72 0.081 -1.341 8.359 516 HD21 LEU 72 3HD2 LEU 72 -0.739 -3.791 5.777 517 HD22 LEU 72 1HD2 LEU 72 -1.538 -3.848 7.349 518 HD23 LEU 72 2HD2 LEU 72 0.182 -3.481 7.248 519 H VAL 73 H VAL 73 -0.762 -1.106 2.971 520 HA VAL 73 HA VAL 73 -1.176 -3.887 2.051 521 HB VAL 73 HB VAL 73 0.034 -1.987 0.115 522 HG11 VAL 73 1HG1 VAL 73 -2.088 -4.023 -0.438 523 HG12 VAL 73 2HG1 VAL 73 -0.418 -4.510 -0.150 524 HG13 VAL 73 3HG1 VAL 73 -0.802 -3.434 -1.492 525 HG21 VAL 73 3HG2 VAL 73 -2.959 -2.082 0.251 526 HG22 VAL 73 1HG2 VAL 73 -1.915 -0.933 -0.584 527 HG23 VAL 73 2HG2 VAL 73 -2.060 -0.876 1.171 528 H LEU 74 H LEU 74 0.580 -5.070 1.371 529 HA LEU 74 HA LEU 74 3.108 -4.377 2.640 530 HB2 LEU 74 2HB LEU 74 2.231 -6.916 1.242 531 HB3 LEU 74 1HB LEU 74 3.747 -6.708 2.084 532 HG LEU 74 HG LEU 74 2.437 -7.963 3.551 533 HD11 LEU 74 1HD1 LEU 74 1.742 -5.282 4.648 534 HD12 LEU 74 2HD1 LEU 74 3.429 -5.770 4.488 535 HD13 LEU 74 3HD1 LEU 74 2.325 -6.724 5.480 536 HD21 LEU 74 3HD2 LEU 74 0.158 -6.197 2.738 537 HD22 LEU 74 1HD2 LEU 74 0.090 -7.175 4.204 538 HD23 LEU 74 2HD2 LEU 74 0.299 -7.953 2.635 539 H TRP 75 H TRP 75 5.105 -4.336 1.537 540 HA TRP 75 HA TRP 75 5.116 -3.132 -1.006 541 HB2 TRP 75 2HB TRP 75 7.349 -4.440 0.545 542 HB3 TRP 75 1HB TRP 75 7.602 -3.577 -0.958 543 HD1 TRP 75 HD TRP 75 5.131 -2.034 1.506 544 HE1 TRP 75 1HE TRP 75 6.176 0.077 2.525 545 HE3 TRP 75 3HE TRP 75 9.926 -2.533 -0.253 546 HZ2 TRP 75 2HZ TRP 75 8.678 1.356 2.603 547 HZ3 TRP 75 3HZ TRP 75 11.578 -0.814 0.357 548 HH2 TRP 75 HH TRP 75 10.962 1.092 1.758 549 H LYS 76 H LYS 76 4.841 -6.432 -0.189 550 HA LYS 76 HA LYS 76 5.928 -7.427 -2.700 551 HB2 LYS 76 2HB LYS 76 5.056 -9.670 -1.808 552 HB3 LYS 76 1HB LYS 76 6.387 -8.918 -0.951 553 HG2 LYS 76 2HG LYS 76 5.051 -8.358 0.879 554 HG3 LYS 76 1HG LYS 76 3.555 -8.539 -0.038 555 HD2 LYS 76 2HD LYS 76 3.678 -10.878 0.001 556 HD3 LYS 76 1HD LYS 76 5.387 -10.868 0.440 557 HE2 LYS 76 2HE LYS 76 3.733 -9.488 2.393 558 HE3 LYS 76 1HE LYS 76 3.247 -11.168 2.176 559 HZ1 LYS 76 3HZ LYS 76 5.126 -10.493 3.855 560 HZ2 LYS 76 1HZ LYS 76 6.101 -10.592 2.476 561 HZ3 LYS 76 2HZ LYS 76 5.212 -11.939 2.982 562 H ASP 77 H ASP 77 2.843 -6.641 -1.308 563 HA ASP 77 HA ASP 77 1.343 -7.836 -3.514 564 HB2 ASP 77 2HB ASP 77 0.719 -6.885 -0.797 565 HB3 ASP 77 1HB ASP 77 -0.515 -6.532 -1.998 566 H ILE 78 H ILE 78 3.047 -5.105 -3.142 567 HA ILE 78 HA ILE 78 1.104 -3.334 -4.440 568 HB ILE 78 HB ILE 78 3.680 -2.727 -2.986 569 HG12 ILE 78 2HG1 ILE 78 0.919 -1.660 -2.407 570 HG13 ILE 78 1HG1 ILE 78 1.439 -3.227 -1.801 571 HG21 ILE 78 1HG2 ILE 78 2.480 -0.292 -3.465 572 HG22 ILE 78 2HG2 ILE 78 2.285 -1.139 -5.002 573 HG23 ILE 78 3HG2 ILE 78 3.894 -0.921 -4.313 574 HD11 ILE 78 3HD1 ILE 78 3.423 -1.294 -1.175 575 HD12 ILE 78 1HD1 ILE 78 2.431 -2.275 -0.096 576 HD13 ILE 78 2HD1 ILE 78 1.841 -0.709 -0.656 577 H SER 79 H SER 79 1.392 -2.505 -6.409 578 HA SER 79 HA SER 79 3.846 -3.123 -7.907 579 HB2 SER 79 2HB SER 79 1.319 -4.258 -8.393 580 HB3 SER 79 1HB SER 79 1.508 -3.014 -9.632 581 HG SER 79 HG SER 79 3.050 -4.145 -10.533 582 HA PRO 80 HA PRO 80 3.533 1.458 -8.026 583 HB2 PRO 80 2HB PRO 80 5.861 1.010 -9.840 584 HB3 PRO 80 1HB PRO 80 5.672 2.166 -8.517 585 HG2 PRO 80 2HG PRO 80 7.141 -0.005 -8.166 586 HG3 PRO 80 1HG PRO 80 6.048 0.550 -6.880 587 HD2 PRO 80 2HD PRO 80 5.709 -1.713 -8.814 588 HD3 PRO 80 1HD PRO 80 5.282 -1.624 -7.092 589 H ALA 81 H ALA 81 2.112 2.444 -9.254 590 HA ALA 81 HA ALA 81 1.317 1.496 -11.832 591 HB1 ALA 81 3HB ALA 81 0.511 4.072 -10.496 592 HB2 ALA 81 1HB ALA 81 -0.216 2.503 -10.145 593 HB3 ALA 81 2HB ALA 81 -0.355 3.199 -11.760 594 H ALA 82 H ALA 82 3.223 4.233 -10.666 595 HA ALA 82 HA ALA 82 3.582 5.261 -13.380 596 HB1 ALA 82 3HB ALA 82 4.609 7.191 -12.329 597 HB2 ALA 82 1HB ALA 82 4.545 6.395 -10.757 598 HB3 ALA 82 2HB ALA 82 3.051 6.847 -11.578 599 H LEU 83 H LEU 83 5.374 4.974 -14.540 600 HA LEU 83 HA LEU 83 7.786 3.933 -13.211 601 HB2 LEU 83 2HB LEU 83 6.305 2.880 -15.568 602 HB3 LEU 83 1HB LEU 83 8.056 2.789 -15.600 603 HG LEU 83 HG LEU 83 6.804 1.789 -13.126 604 HD11 LEU 83 1HD1 LEU 83 6.289 0.542 -15.804 605 HD12 LEU 83 2HD1 LEU 83 5.151 0.869 -14.496 606 HD13 LEU 83 3HD1 LEU 83 6.343 -0.420 -14.326 607 HD21 LEU 83 3HD2 LEU 83 8.823 0.542 -14.981 608 HD22 LEU 83 1HD2 LEU 83 8.509 0.129 -13.295 609 HD23 LEU 83 2HD2 LEU 83 9.236 1.683 -13.701 610 HA ALA 331 HA ALA 331 -18.595 -8.222 -2.542 611 HB1 ALA 331 3HB ALA 331 -20.630 -8.203 -3.759 612 HB2 ALA 331 1HB ALA 331 -19.388 -8.808 -4.854 613 HB3 ALA 331 2HB ALA 331 -19.957 -7.146 -4.999 614 H THR 332 H THR 332 -17.720 -5.590 -4.741 615 HA THR 332 HA THR 332 -15.192 -6.989 -5.302 616 HB THR 332 HB THR 332 -16.361 -6.896 -7.375 617 HG1 THR 332 1HG THR 332 -14.168 -5.258 -7.015 618 HG21 THR 332 1HG2 THR 332 -17.978 -5.085 -6.767 619 HG22 THR 332 2HG2 THR 332 -17.305 -4.930 -8.389 620 HG23 THR 332 3HG2 THR 332 -16.704 -3.907 -7.084 621 H GLY 333 H GLY 333 -16.633 -3.741 -4.995 622 HA2 GLY 333 2HA GLY 333 -14.894 -2.671 -3.170 623 HA3 GLY 333 1HA GLY 333 -14.096 -2.427 -4.717 624 H GLY 334 H GLY 334 -14.354 -0.402 -5.380 625 HA2 GLY 334 2HA GLY 334 -17.024 0.826 -5.088 626 HA3 GLY 334 1HA GLY 334 -15.538 1.732 -4.840 627 H VAL 335 H VAL 335 -13.990 1.655 -6.752 628 HA VAL 335 HA VAL 335 -15.137 1.287 -9.353 629 HB VAL 335 HB VAL 335 -16.193 3.391 -8.967 630 HG11 VAL 335 1HG1 VAL 335 -13.656 4.867 -8.428 631 HG12 VAL 335 2HG1 VAL 335 -14.485 4.029 -7.116 632 HG13 VAL 335 3HG1 VAL 335 -15.318 5.295 -8.019 633 HG21 VAL 335 3HG2 VAL 335 -13.777 3.758 -10.725 634 HG22 VAL 335 1HG2 VAL 335 -15.121 4.899 -10.652 635 HG23 VAL 335 2HG2 VAL 335 -15.396 3.246 -11.200 636 H M3L 336 H M3L 336 -12.551 3.417 -8.057 637 HA M3L 336 HA M3L 336 -10.360 3.680 -8.576 638 HB2 M3L 336 1HB M3L 336 -8.989 1.560 -8.594 639 HB3 M3L 336 2HB M3L 336 -10.500 0.666 -8.470 640 HG2 M3L 336 1HG M3L 336 -10.211 2.799 -6.490 641 HG3 M3L 336 2HG M3L 336 -9.003 1.529 -6.350 642 HD2 M3L 336 1HD M3L 336 -10.582 -0.111 -5.939 643 HD3 M3L 336 2HD M3L 336 -11.888 0.826 -6.667 644 HE2 M3L 336 1HE M3L 336 -12.439 1.652 -4.682 645 HE3 M3L 336 2HE M3L 336 -10.834 2.327 -4.488 646 HM11 M3L 336 1HM1 M3L 336 -9.185 0.647 -2.576 647 HM12 M3L 336 2HM1 M3L 336 -9.125 0.310 -4.266 648 HM13 M3L 336 3HM1 M3L 336 -9.546 -0.942 -3.156 649 HM21 M3L 336 1HM2 M3L 336 -12.980 -0.502 -3.966 650 HM22 M3L 336 2HM2 M3L 336 -12.091 -1.270 -2.700 651 HM23 M3L 336 3HM2 M3L 336 -11.578 -1.445 -4.340 652 HM31 M3L 336 3HM3 M3L 336 -11.042 0.705 -1.369 653 HM32 M3L 336 1HM3 M3L 336 -12.555 1.169 -2.061 654 HM33 M3L 336 2HM3 M3L 336 -11.178 2.198 -2.226 655 H LYS 337 H LYS 337 -8.570 3.440 -10.087 656 HA LYS 337 HA LYS 337 -9.399 2.620 -12.793 657 HB2 LYS 337 2HB LYS 337 -7.948 5.196 -12.115 658 HB3 LYS 337 1HB LYS 337 -8.346 4.639 -13.732 659 HG2 LYS 337 2HG LYS 337 -10.165 5.934 -13.530 660 HG3 LYS 337 1HG LYS 337 -10.797 4.640 -12.519 661 HD2 LYS 337 2HD LYS 337 -11.113 6.424 -11.111 662 HD3 LYS 337 1HD LYS 337 -9.493 5.936 -10.606 663 HE2 LYS 337 2HE LYS 337 -9.533 7.852 -12.839 664 HE3 LYS 337 1HE LYS 337 -10.225 8.473 -11.341 665 HZ1 LYS 337 3HZ LYS 337 -7.907 8.942 -11.344 666 HZ2 LYS 337 1HZ LYS 337 -7.509 7.340 -11.718 667 HZ3 LYS 337 2HZ LYS 337 -8.170 7.717 -10.209 668 HA PRO 338 HA PRO 338 -5.036 1.162 -11.603 669 HB2 PRO 338 2HB PRO 338 -6.010 -1.567 -11.448 670 HB3 PRO 338 1HB PRO 338 -5.240 -0.604 -10.188 671 HG2 PRO 338 2HG PRO 338 -7.830 -1.351 -10.067 672 HG3 PRO 338 1HG PRO 338 -7.237 0.179 -9.393 673 HD2 PRO 338 2HD PRO 338 -8.575 -0.319 -12.045 674 HD3 PRO 338 1HD PRO 338 -8.942 0.928 -10.828 675 H HIS 339 H HIS 339 -4.333 -1.385 -12.352 676 HA HIS 339 HA HIS 339 -3.602 -1.154 -15.048 677 HB2 HIS 339 2HB HIS 339 -2.972 -2.648 -12.779 678 HB3 HIS 339 1HB HIS 339 -3.482 -3.842 -13.942 679 HD1 HIS 339 1HD HIS 339 -2.102 -2.015 -16.351 680 HD2 HIS 339 2HD HIS 339 -0.380 -3.598 -12.909 681 HE1 HIS 339 1HE HIS 339 0.358 -2.180 -16.850 682 HE2 HIS 339 2HE HIS 339 1.378 -3.185 -14.774 683 H ARG 340 H ARG 340 -3.899 -3.765 -16.078 684 HA ARG 340 HA ARG 340 -6.624 -3.656 -17.064 685 HB2 ARG 340 2HB ARG 340 -4.252 -4.220 -18.259 686 HB3 ARG 340 1HB ARG 340 -4.849 -5.844 -17.955 687 HG2 ARG 340 2HG ARG 340 -5.849 -5.583 -19.951 688 HG3 ARG 340 1HG ARG 340 -7.062 -4.709 -19.018 689 HD2 ARG 340 2HD ARG 340 -4.677 -3.344 -20.247 690 HD3 ARG 340 1HD ARG 340 -6.184 -3.584 -21.125 691 HE ARG 340 HE ARG 340 -6.533 -2.310 -18.572 692 HH11 ARG 340 1HH1 ARG 340 -5.833 -1.725 -21.965 693 HH12 ARG 340 2HH1 ARG 340 -6.378 -0.082 -21.912 694 HH21 ARG 340 1HH2 ARG 340 -7.242 -0.155 -18.528 695 HH22 ARG 340 2HH2 ARG 340 -7.174 0.805 -19.968 696 H TYR 341 H TYR 341 -5.673 -4.778 -14.291 697 HA TYR 341 HA TYR 341 -6.042 -6.507 -12.862 698 HB2 TYR 341 2HB TYR 341 -8.434 -7.196 -12.704 699 HB3 TYR 341 1HB TYR 341 -8.188 -5.459 -12.747 700 HD1 TYR 341 2HD TYR 341 -9.352 -8.371 -14.703 701 HD2 TYR 341 1HD TYR 341 -9.142 -4.127 -14.484 702 HE1 TYR 341 2HE TYR 341 -10.976 -8.201 -16.542 703 HE2 TYR 341 1HE TYR 341 -10.766 -3.946 -16.319 704 HH TYR 341 HH TYR 341 -11.419 -6.036 -18.411 Start of MODEL 9 1 HA SER 5 HA SER 5 -11.086 11.396 -14.715 2 HB2 SER 5 2HB SER 5 -14.005 11.941 -14.547 3 HB3 SER 5 1HB SER 5 -13.095 12.839 -15.762 4 HG SER 5 HG SER 5 -13.073 11.094 -16.912 5 H ARG 6 H ARG 6 -10.299 13.302 -15.665 6 HA ARG 6 HA ARG 6 -9.346 15.354 -15.721 7 HB2 ARG 6 2HB ARG 6 -12.041 15.837 -15.068 8 HB3 ARG 6 1HB ARG 6 -11.098 16.874 -14.006 9 HG2 ARG 6 2HG ARG 6 -9.981 17.868 -15.901 10 HG3 ARG 6 1HG ARG 6 -10.809 16.765 -17.001 11 HD2 ARG 6 2HD ARG 6 -12.387 18.529 -15.175 12 HD3 ARG 6 1HD ARG 6 -11.717 19.183 -16.669 13 HE ARG 6 HE ARG 6 -13.003 17.441 -17.848 14 HH11 ARG 6 1HH1 ARG 6 -14.035 18.312 -14.602 15 HH12 ARG 6 2HH1 ARG 6 -15.665 17.790 -14.859 16 HH21 ARG 6 1HH2 ARG 6 -15.143 16.765 -18.157 17 HH22 ARG 6 2HH2 ARG 6 -16.291 16.915 -16.868 18 H LEU 7 H LEU 7 -7.533 15.838 -14.758 19 HA LEU 7 HA LEU 7 -7.449 16.111 -11.830 20 HB2 LEU 7 2HB LEU 7 -5.763 14.402 -13.602 21 HB3 LEU 7 1HB LEU 7 -5.001 15.158 -12.214 22 HG LEU 7 HG LEU 7 -7.514 13.783 -11.581 23 HD11 LEU 7 1HD1 LEU 7 -5.134 12.197 -12.533 24 HD12 LEU 7 2HD1 LEU 7 -6.715 12.274 -13.311 25 HD13 LEU 7 3HD1 LEU 7 -6.551 11.538 -11.717 26 HD21 LEU 7 3HD2 LEU 7 -4.759 13.424 -10.428 27 HD22 LEU 7 1HD2 LEU 7 -6.313 13.098 -9.662 28 HD23 LEU 7 2HD2 LEU 7 -5.820 14.761 -9.985 29 H SER 8 H SER 8 -5.358 17.232 -11.124 30 HA SER 8 HA SER 8 -5.099 19.688 -12.614 31 HB2 SER 8 2HB SER 8 -4.639 18.816 -9.907 32 HB3 SER 8 1HB SER 8 -3.219 19.668 -10.513 33 HG SER 8 HG SER 8 -4.848 21.035 -9.545 34 H ARG 9 H ARG 9 -3.465 20.342 -13.867 35 HA ARG 9 HA ARG 9 -1.283 18.453 -14.388 36 HB2 ARG 9 2HB ARG 9 -2.574 20.639 -15.984 37 HB3 ARG 9 1HB ARG 9 -0.961 20.080 -16.402 38 HG2 ARG 9 2HG ARG 9 -1.700 18.017 -17.092 39 HG3 ARG 9 1HG ARG 9 -3.126 18.064 -16.056 40 HD2 ARG 9 2HD ARG 9 -3.952 18.302 -18.239 41 HD3 ARG 9 1HD ARG 9 -3.972 19.932 -17.569 42 HE ARG 9 HE ARG 9 -1.553 19.725 -18.837 43 HH11 ARG 9 1HH1 ARG 9 -4.892 19.354 -19.862 44 HH12 ARG 9 2HH1 ARG 9 -4.570 19.860 -21.487 45 HH21 ARG 9 1HH2 ARG 9 -1.155 20.388 -20.968 46 HH22 ARG 9 2HH2 ARG 9 -2.455 20.445 -22.111 47 H SER 10 H SER 10 0.877 19.160 -14.576 48 HA SER 10 HA SER 10 1.498 21.508 -12.922 49 HB2 SER 10 2HB SER 10 2.970 18.951 -13.506 50 HB3 SER 10 1HB SER 10 3.832 20.366 -12.903 51 HG SER 10 HG SER 10 2.987 18.820 -11.295 52 H GLY 11 H GLY 11 3.059 23.011 -13.562 53 HA2 GLY 11 2HA GLY 11 3.369 23.248 -16.469 54 HA3 GLY 11 1HA GLY 11 3.576 24.540 -15.299 55 H ALA 12 H ALA 12 5.424 24.262 -17.254 56 HA ALA 12 HA ALA 12 7.695 22.830 -16.079 57 HB1 ALA 12 3HB ALA 12 7.113 22.436 -18.470 58 HB2 ALA 12 1HB ALA 12 8.767 22.996 -18.215 59 HB3 ALA 12 2HB ALA 12 7.536 24.116 -18.800 60 H SER 13 H SER 13 8.544 24.075 -14.522 61 HA SER 13 HA SER 13 9.765 26.608 -15.316 62 HB2 SER 13 2HB SER 13 7.464 26.912 -14.089 63 HB3 SER 13 1HB SER 13 8.393 26.506 -12.646 64 HG SER 13 HG SER 13 9.832 28.238 -13.256 65 H SER 14 H SER 14 9.365 24.243 -12.684 66 HA SER 14 HA SER 14 12.272 24.227 -12.292 67 HB2 SER 14 2HB SER 14 10.746 25.604 -10.545 68 HB3 SER 14 1HB SER 14 10.642 23.999 -9.824 69 HG SER 14 HG SER 14 13.162 24.359 -10.458 70 H LEU 15 H LEU 15 9.259 22.583 -12.392 71 HA LEU 15 HA LEU 15 10.325 20.115 -11.269 72 HB2 LEU 15 2HB LEU 15 7.596 20.953 -12.221 73 HB3 LEU 15 1HB LEU 15 7.968 19.282 -11.843 74 HG LEU 15 HG LEU 15 8.761 21.042 -9.682 75 HD11 LEU 15 1HD1 LEU 15 5.875 21.101 -10.551 76 HD12 LEU 15 2HD1 LEU 15 6.976 22.475 -10.426 77 HD13 LEU 15 3HD1 LEU 15 6.463 21.619 -8.971 78 HD21 LEU 15 3HD2 LEU 15 7.616 19.438 -8.355 79 HD22 LEU 15 1HD2 LEU 15 8.421 18.554 -9.651 80 HD23 LEU 15 2HD2 LEU 15 6.687 18.861 -9.739 81 H TRP 16 H TRP 16 11.759 19.251 -12.651 82 HA TRP 16 HA TRP 16 10.755 18.375 -15.269 83 HB2 TRP 16 2HB TRP 16 13.137 20.042 -14.705 84 HB3 TRP 16 1HB TRP 16 13.380 18.720 -15.843 85 HD1 TRP 16 HD TRP 16 11.840 22.142 -15.539 86 HE1 TRP 16 1HE TRP 16 10.856 22.857 -17.807 87 HE3 TRP 16 3HE TRP 16 12.191 17.681 -18.034 88 HZ2 TRP 16 2HZ TRP 16 10.301 21.692 -20.313 89 HZ3 TRP 16 3HZ TRP 16 11.408 17.573 -20.364 90 HH2 TRP 16 HH TRP 16 10.483 19.537 -21.477 91 H ASP 17 H ASP 17 11.839 16.494 -16.133 92 HA ASP 17 HA ASP 17 12.633 14.654 -14.029 93 HB2 ASP 17 2HB ASP 17 12.509 12.937 -15.910 94 HB3 ASP 17 1HB ASP 17 11.001 13.717 -15.459 95 HA PRO 18 HA PRO 18 17.051 15.096 -14.798 96 HB2 PRO 18 2HB PRO 18 17.172 12.249 -13.944 97 HB3 PRO 18 1HB PRO 18 18.081 13.642 -13.345 98 HG2 PRO 18 2HG PRO 18 16.105 12.610 -11.906 99 HG3 PRO 18 1HG PRO 18 16.331 14.367 -12.000 100 HD2 PRO 18 2HD PRO 18 14.323 12.635 -13.389 101 HD3 PRO 18 1HD PRO 18 14.126 14.247 -12.673 102 H ALA 19 H ALA 19 18.699 14.329 -16.184 103 HA ALA 19 HA ALA 19 17.706 12.729 -18.437 104 HB1 ALA 19 3HB ALA 19 18.386 14.869 -19.162 105 HB2 ALA 19 1HB ALA 19 19.675 13.766 -19.646 106 HB3 ALA 19 2HB ALA 19 19.880 14.795 -18.229 107 H SER 20 H SER 20 19.198 11.992 -15.729 108 HA SER 20 HA SER 20 21.466 10.519 -16.791 109 HB2 SER 20 2HB SER 20 20.804 11.622 -14.253 110 HB3 SER 20 1HB SER 20 21.011 9.883 -14.046 111 HG SER 20 HG SER 20 22.970 11.176 -13.871 112 HA PRO 21 HA PRO 21 18.820 6.744 -15.401 113 HB2 PRO 21 2HB PRO 21 16.108 7.586 -14.774 114 HB3 PRO 21 1HB PRO 21 17.266 6.742 -13.745 115 HG2 PRO 21 2HG PRO 21 16.479 9.302 -13.285 116 HG3 PRO 21 1HG PRO 21 18.086 8.693 -12.844 117 HD2 PRO 21 2HD PRO 21 17.263 10.304 -15.242 118 HD3 PRO 21 1HD PRO 21 18.676 10.507 -14.182 119 H ALA 22 H ALA 22 18.893 6.155 -17.523 120 HA ALA 22 HA ALA 22 16.395 6.379 -19.032 121 HB1 ALA 22 3HB ALA 22 18.649 6.539 -20.841 122 HB2 ALA 22 1HB ALA 22 18.640 7.885 -19.702 123 HB3 ALA 22 2HB ALA 22 17.230 7.581 -20.719 124 HA PRO 23 HA PRO 23 18.798 2.488 -20.647 125 HB2 PRO 23 2HB PRO 23 21.129 2.096 -18.928 126 HB3 PRO 23 1HB PRO 23 21.051 2.195 -20.688 127 HG2 PRO 23 2HG PRO 23 22.189 4.131 -19.194 128 HG3 PRO 23 1HG PRO 23 21.325 4.486 -20.703 129 HD2 PRO 23 2HD PRO 23 20.359 4.726 -17.869 130 HD3 PRO 23 1HD PRO 23 20.189 5.877 -19.214 131 H THR 24 H THR 24 18.852 3.175 -17.208 132 HA THR 24 HA THR 24 18.375 0.396 -16.488 133 HB THR 24 HB THR 24 19.878 1.576 -15.023 134 HG1 THR 24 1HG THR 24 18.004 0.167 -14.174 135 HG21 THR 24 1HG2 THR 24 19.249 3.877 -15.289 136 HG22 THR 24 2HG2 THR 24 19.075 3.468 -13.582 137 HG23 THR 24 3HG2 THR 24 17.648 3.574 -14.614 138 H SER 25 H SER 25 16.641 3.480 -16.489 139 HA SER 25 HA SER 25 14.455 4.066 -16.391 140 HB2 SER 25 2HB SER 25 14.438 1.524 -17.727 141 HB3 SER 25 1HB SER 25 13.007 1.651 -16.705 142 HG SER 25 HG SER 25 12.623 2.546 -18.756 143 H GLY 26 H GLY 26 13.171 4.548 -14.747 144 HA2 GLY 26 2HA GLY 26 11.682 3.800 -12.962 145 HA3 GLY 26 1HA GLY 26 12.885 2.586 -12.557 146 HA PRO 27 HA PRO 27 13.690 6.868 -10.402 147 HB2 PRO 27 2HB PRO 27 11.963 6.930 -8.311 148 HB3 PRO 27 1HB PRO 27 11.587 7.640 -9.881 149 HG2 PRO 27 2HG PRO 27 10.733 5.011 -8.735 150 HG3 PRO 27 1HG PRO 27 9.784 6.190 -9.659 151 HD2 PRO 27 2HD PRO 27 10.836 3.938 -10.766 152 HD3 PRO 27 1HD PRO 27 10.585 5.437 -11.679 153 H ARG 28 H ARG 28 14.355 7.155 -7.983 154 HA ARG 28 HA ARG 28 15.873 4.814 -7.251 155 HB2 ARG 28 2HB ARG 28 16.286 7.555 -6.995 156 HB3 ARG 28 1HB ARG 28 16.031 7.006 -5.345 157 HG2 ARG 28 2HG ARG 28 18.272 6.699 -5.464 158 HG3 ARG 28 1HG ARG 28 17.762 5.135 -6.098 159 HD2 ARG 28 2HD ARG 28 19.159 5.640 -7.797 160 HD3 ARG 28 1HD ARG 28 17.813 6.624 -8.371 161 HE ARG 28 HE ARG 28 20.211 7.596 -6.983 162 HH11 ARG 28 1HH1 ARG 28 17.265 8.319 -8.756 163 HH12 ARG 28 2HH1 ARG 28 17.685 9.981 -9.001 164 HH21 ARG 28 1HH2 ARG 28 20.741 9.774 -7.318 165 HH22 ARG 28 2HH2 ARG 28 19.653 10.802 -8.189 166 HA PRO 29 HA PRO 29 13.245 4.979 -3.196 167 HB2 PRO 29 2HB PRO 29 10.924 6.690 -3.672 168 HB3 PRO 29 1HB PRO 29 12.108 6.765 -2.365 169 HG2 PRO 29 2HG PRO 29 11.975 8.658 -4.278 170 HG3 PRO 29 1HG PRO 29 13.516 8.168 -3.545 171 HD2 PRO 29 2HD PRO 29 12.314 7.314 -6.162 172 HD3 PRO 29 1HD PRO 29 13.976 7.837 -5.814 173 H ARG 30 H ARG 30 11.770 3.421 -2.704 174 HA ARG 30 HA ARG 30 10.206 2.335 -4.920 175 HB2 ARG 30 2HB ARG 30 11.735 1.198 -2.822 176 HB3 ARG 30 1HB ARG 30 10.065 0.728 -2.545 177 HG2 ARG 30 2HG ARG 30 10.664 -0.988 -3.890 178 HG3 ARG 30 1HG ARG 30 10.225 0.159 -5.154 179 HD2 ARG 30 2HD ARG 30 12.569 0.829 -5.358 180 HD3 ARG 30 1HD ARG 30 13.008 -0.301 -4.079 181 HE ARG 30 HE ARG 30 11.803 -1.218 -6.606 182 HH11 ARG 30 1HH1 ARG 30 14.369 -1.428 -4.214 183 HH12 ARG 30 2HH1 ARG 30 15.095 -2.817 -4.948 184 HH21 ARG 30 1HH2 ARG 30 12.771 -3.038 -7.546 185 HH22 ARG 30 2HH2 ARG 30 14.191 -3.727 -6.833 186 H LEU 31 H LEU 31 9.806 3.598 -1.660 187 HA LEU 31 HA LEU 31 6.928 3.902 -2.117 188 HB2 LEU 31 2HB LEU 31 8.203 2.242 -0.003 189 HB3 LEU 31 1HB LEU 31 6.837 3.222 0.475 190 HG LEU 31 HG LEU 31 5.810 1.211 0.008 191 HD11 LEU 31 1HD1 LEU 31 4.430 1.481 -1.812 192 HD12 LEU 31 2HD1 LEU 31 5.702 2.176 -2.813 193 HD13 LEU 31 3HD1 LEU 31 4.989 3.123 -1.510 194 HD21 LEU 31 3HD2 LEU 31 7.701 -0.035 -0.738 195 HD22 LEU 31 1HD2 LEU 31 7.733 0.835 -2.272 196 HD23 LEU 31 2HD2 LEU 31 6.394 -0.252 -1.901 197 H TRP 32 H TRP 32 6.401 5.923 -1.779 198 HA TRP 32 HA TRP 32 7.504 7.419 0.465 199 HB2 TRP 32 2HB TRP 32 8.170 9.350 -0.911 200 HB3 TRP 32 1HB TRP 32 9.096 7.924 -1.346 201 HD1 TRP 32 HD TRP 32 8.004 6.605 -3.658 202 HE1 TRP 32 1HE TRP 32 7.232 7.726 -5.836 203 HE3 TRP 32 3HE TRP 32 7.285 11.377 -1.934 204 HZ2 TRP 32 2HZ TRP 32 6.434 10.279 -6.722 205 HZ3 TRP 32 3HZ TRP 32 6.518 13.095 -3.519 206 HH2 TRP 32 HH TRP 32 6.102 12.555 -5.863 207 H GLU 33 H GLU 33 6.339 9.498 0.820 208 HA GLU 33 HA GLU 33 3.540 9.136 0.698 209 HB2 GLU 33 2HB GLU 33 5.323 11.401 1.516 210 HB3 GLU 33 1HB GLU 33 3.586 11.653 1.404 211 HG2 GLU 33 2HG GLU 33 3.287 9.721 2.959 212 HG3 GLU 33 1HG GLU 33 5.038 9.699 3.169 213 H GLY 34 H GLY 34 2.257 9.340 -0.980 214 HA2 GLY 34 2HA GLY 34 1.138 10.579 -2.648 215 HA3 GLY 34 1HA GLY 34 2.554 11.601 -2.820 216 H GLN 35 H GLN 35 2.726 8.103 -2.739 217 HA GLN 35 HA GLN 35 3.688 8.127 -5.514 218 HB2 GLN 35 2HB GLN 35 5.389 7.201 -4.217 219 HB3 GLN 35 1HB GLN 35 4.266 6.451 -3.093 220 HG2 GLN 35 2HG GLN 35 4.724 4.516 -4.109 221 HG3 GLN 35 1HG GLN 35 3.809 5.123 -5.492 222 HE21 GLN 35 1HE2 GLN 35 6.365 3.469 -4.942 223 HE22 GLN 35 2HE2 GLN 35 7.486 4.094 -6.093 224 H ASP 36 H ASP 36 2.356 7.387 -7.046 225 HA ASP 36 HA ASP 36 -0.126 6.113 -6.401 226 HB2 ASP 36 2HB ASP 36 1.239 6.632 -9.044 227 HB3 ASP 36 1HB ASP 36 -0.319 5.833 -8.920 228 H VAL 37 H VAL 37 -0.221 4.148 -5.709 229 HA VAL 37 HA VAL 37 1.655 2.130 -6.739 230 HB VAL 37 HB VAL 37 1.208 0.908 -4.602 231 HG11 VAL 37 1HG1 VAL 37 2.688 2.308 -3.231 232 HG12 VAL 37 2HG1 VAL 37 2.440 3.642 -4.356 233 HG13 VAL 37 3HG1 VAL 37 3.246 2.171 -4.898 234 HG21 VAL 37 3HG2 VAL 37 -0.947 2.315 -4.172 235 HG22 VAL 37 1HG2 VAL 37 0.162 3.450 -3.401 236 HG23 VAL 37 2HG2 VAL 37 0.036 1.795 -2.806 237 H LEU 38 H LEU 38 0.926 -0.071 -6.721 238 HA LEU 38 HA LEU 38 -1.946 -0.357 -7.275 239 HB2 LEU 38 2HB LEU 38 0.406 -1.760 -8.529 240 HB3 LEU 38 1HB LEU 38 -1.262 -2.233 -8.786 241 HG LEU 38 HG LEU 38 -0.224 0.513 -9.470 242 HD11 LEU 38 1HD1 LEU 38 -0.479 -0.603 -11.867 243 HD12 LEU 38 2HD1 LEU 38 -0.015 -2.039 -10.953 244 HD13 LEU 38 3HD1 LEU 38 1.038 -0.625 -10.969 245 HD21 LEU 38 3HD2 LEU 38 -2.368 0.920 -9.854 246 HD22 LEU 38 1HD2 LEU 38 -2.795 -0.747 -9.475 247 HD23 LEU 38 2HD2 LEU 38 -2.336 -0.305 -11.121 248 H ALA 39 H ALA 39 -2.699 -1.064 -5.457 249 HA ALA 39 HA ALA 39 -1.315 -3.104 -3.899 250 HB1 ALA 39 3HB ALA 39 -2.491 -2.315 -2.117 251 HB2 ALA 39 1HB ALA 39 -3.963 -2.080 -3.050 252 HB3 ALA 39 2HB ALA 39 -2.664 -0.892 -3.140 253 H ARG 40 H ARG 40 -1.607 -5.093 -4.626 254 HA ARG 40 HA ARG 40 -3.832 -5.973 -6.168 255 HB2 ARG 40 2HB ARG 40 -1.262 -6.866 -5.615 256 HB3 ARG 40 1HB ARG 40 -2.283 -8.061 -4.850 257 HG2 ARG 40 2HG ARG 40 -2.854 -7.276 -7.667 258 HG3 ARG 40 1HG ARG 40 -1.502 -8.351 -7.330 259 HD2 ARG 40 2HD ARG 40 -4.102 -8.992 -6.058 260 HD3 ARG 40 1HD ARG 40 -3.965 -9.247 -7.797 261 HE ARG 40 HE ARG 40 -2.238 -10.525 -5.774 262 HH11 ARG 40 1HH1 ARG 40 -3.797 -10.592 -8.924 263 HH12 ARG 40 2HH1 ARG 40 -3.245 -12.193 -9.287 264 HH21 ARG 40 1HH2 ARG 40 -1.532 -12.620 -6.274 265 HH22 ARG 40 2HH2 ARG 40 -1.967 -13.338 -7.789 266 H TRP 41 H TRP 41 -5.730 -6.819 -5.538 267 HA TRP 41 HA TRP 41 -6.252 -7.144 -2.696 268 HB2 TRP 41 2HB TRP 41 -7.761 -5.795 -4.152 269 HB3 TRP 41 1HB TRP 41 -8.226 -7.273 -4.982 270 HD1 TRP 41 HD TRP 41 -7.923 -6.969 -1.114 271 HE1 TRP 41 1HE TRP 41 -10.250 -7.385 -0.097 272 HE3 TRP 41 3HE TRP 41 -10.638 -7.262 -5.415 273 HZ2 TRP 41 2HZ TRP 41 -12.897 -7.780 -1.005 274 HZ3 TRP 41 3HZ TRP 41 -13.070 -7.656 -5.268 275 HH2 TRP 41 HH TRP 41 -14.171 -7.910 -3.102 276 H THR 42 H THR 42 -7.430 -8.987 -1.866 277 HA THR 42 HA THR 42 -6.170 -11.439 -2.541 278 HB THR 42 HB THR 42 -7.857 -12.400 -0.852 279 HG1 THR 42 1HG THR 42 -9.435 -10.965 -0.590 280 HG21 THR 42 1HG2 THR 42 -5.915 -10.218 -0.091 281 HG22 THR 42 2HG2 THR 42 -5.576 -11.943 -0.228 282 HG23 THR 42 3HG2 THR 42 -6.638 -11.352 1.050 283 H ASP 43 H ASP 43 -8.892 -10.018 -3.957 284 HA ASP 43 HA ASP 43 -10.216 -12.549 -4.555 285 HB2 ASP 43 2HB ASP 43 -10.922 -9.667 -4.937 286 HB3 ASP 43 1HB ASP 43 -11.733 -10.892 -5.913 287 H GLY 44 H GLY 44 -7.753 -10.686 -5.880 288 HA2 GLY 44 2HA GLY 44 -6.554 -11.633 -7.775 289 HA3 GLY 44 1HA GLY 44 -8.111 -11.997 -8.501 290 H LEU 45 H LEU 45 -8.898 -9.170 -7.414 291 HA LEU 45 HA LEU 45 -8.163 -7.774 -9.856 292 HB2 LEU 45 2HB LEU 45 -10.124 -7.199 -7.649 293 HB3 LEU 45 1HB LEU 45 -9.765 -6.029 -8.910 294 HG LEU 45 HG LEU 45 -10.436 -8.624 -10.025 295 HD11 LEU 45 1HD1 LEU 45 -12.798 -8.611 -9.423 296 HD12 LEU 45 2HD1 LEU 45 -12.515 -7.267 -8.316 297 HD13 LEU 45 3HD1 LEU 45 -11.780 -8.839 -8.001 298 HD21 LEU 45 3HD2 LEU 45 -11.830 -7.322 -11.436 299 HD22 LEU 45 1HD2 LEU 45 -10.358 -6.389 -11.164 300 HD23 LEU 45 2HD2 LEU 45 -11.837 -5.976 -10.296 301 H LEU 46 H LEU 46 -7.199 -5.752 -9.928 302 HA LEU 46 HA LEU 46 -5.274 -5.219 -7.823 303 HB2 LEU 46 2HB LEU 46 -4.730 -5.280 -10.290 304 HB3 LEU 46 1HB LEU 46 -5.696 -3.829 -10.466 305 HG LEU 46 HG LEU 46 -4.089 -2.644 -8.972 306 HD11 LEU 46 1HD1 LEU 46 -3.096 -5.291 -8.581 307 HD12 LEU 46 2HD1 LEU 46 -2.587 -3.795 -7.804 308 HD13 LEU 46 3HD1 LEU 46 -1.834 -4.308 -9.316 309 HD21 LEU 46 3HD2 LEU 46 -3.622 -2.071 -11.086 310 HD22 LEU 46 1HD2 LEU 46 -3.604 -3.737 -11.646 311 HD23 LEU 46 2HD2 LEU 46 -2.188 -3.060 -10.840 312 H TYR 47 H TYR 47 -4.852 -2.931 -7.186 313 HA TYR 47 HA TYR 47 -7.242 -1.222 -7.073 314 HB2 TYR 47 2HB TYR 47 -5.599 -2.203 -4.731 315 HB3 TYR 47 1HB TYR 47 -6.494 -0.698 -4.651 316 HD1 TYR 47 1HD TYR 47 -8.605 -2.804 -6.499 317 HD2 TYR 47 2HD TYR 47 -7.088 -2.275 -2.560 318 HE1 TYR 47 1HE TYR 47 -10.564 -3.965 -5.598 319 HE2 TYR 47 2HE TYR 47 -9.044 -3.447 -1.651 320 HH TYR 47 HH TYR 47 -10.968 -5.356 -3.255 321 H LEU 48 H LEU 48 -6.730 0.843 -7.592 322 HA LEU 48 HA LEU 48 -3.901 1.585 -7.708 323 HB2 LEU 48 2HB LEU 48 -5.158 1.951 -9.752 324 HB3 LEU 48 1HB LEU 48 -6.364 2.891 -8.893 325 HG LEU 48 HG LEU 48 -4.485 4.566 -8.407 326 HD11 LEU 48 1HD1 LEU 48 -2.614 4.568 -9.987 327 HD12 LEU 48 2HD1 LEU 48 -3.140 3.004 -10.609 328 HD13 LEU 48 3HD1 LEU 48 -2.584 3.148 -8.941 329 HD21 LEU 48 3HD2 LEU 48 -6.099 5.271 -9.915 330 HD22 LEU 48 1HD2 LEU 48 -5.671 4.040 -11.103 331 HD23 LEU 48 2HD2 LEU 48 -4.604 5.418 -10.839 332 H GLY 49 H GLY 49 -2.992 2.957 -6.325 333 HA2 GLY 49 2HA GLY 49 -4.663 4.779 -4.764 334 HA3 GLY 49 1HA GLY 49 -3.764 3.570 -3.875 335 H THR 50 H THR 50 -3.238 5.895 -3.047 336 HA THR 50 HA THR 50 -0.584 6.556 -4.122 337 HB THR 50 HB THR 50 -1.781 8.867 -2.849 338 HG1 THR 50 1HG THR 50 -3.619 9.001 -3.884 339 HG21 THR 50 1HG2 THR 50 0.261 8.771 -4.294 340 HG22 THR 50 2HG2 THR 50 -0.905 10.002 -4.781 341 HG23 THR 50 3HG2 THR 50 -0.794 8.488 -5.679 342 H ILE 51 H ILE 51 0.956 6.628 -2.634 343 HA ILE 51 HA ILE 51 0.499 5.520 -0.096 344 HB ILE 51 HB ILE 51 2.972 6.868 -1.175 345 HG12 ILE 51 2HG1 ILE 51 2.123 4.909 -2.461 346 HG13 ILE 51 1HG1 ILE 51 3.714 4.649 -1.772 347 HG21 ILE 51 1HG2 ILE 51 4.243 6.112 0.592 348 HG22 ILE 51 2HG2 ILE 51 3.107 4.827 1.003 349 HG23 ILE 51 3HG2 ILE 51 2.735 6.498 1.424 350 HD11 ILE 51 3HD1 ILE 51 2.974 2.776 -0.838 351 HD12 ILE 51 1HD1 ILE 51 1.365 3.083 -1.478 352 HD13 ILE 51 2HD1 ILE 51 1.820 3.706 0.105 353 H LYS 52 H LYS 52 -0.159 6.298 1.682 354 HA LYS 52 HA LYS 52 -0.061 9.181 2.211 355 HB2 LYS 52 2HB LYS 52 -2.106 7.426 2.515 356 HB3 LYS 52 1HB LYS 52 -1.402 7.364 4.125 357 HG2 LYS 52 2HG LYS 52 -1.501 9.975 3.941 358 HG3 LYS 52 1HG LYS 52 -2.733 9.631 2.725 359 HD2 LYS 52 2HD LYS 52 -4.003 8.339 4.344 360 HD3 LYS 52 1HD LYS 52 -2.747 8.590 5.559 361 HE2 LYS 52 2HE LYS 52 -4.065 10.934 4.248 362 HE3 LYS 52 1HE LYS 52 -4.870 10.093 5.573 363 HZ1 LYS 52 3HZ LYS 52 -2.934 12.050 5.771 364 HZ2 LYS 52 1HZ LYS 52 -2.165 10.614 6.229 365 HZ3 LYS 52 2HZ LYS 52 -3.570 11.113 7.027 366 H LYS 53 H LYS 53 1.069 6.074 3.395 367 HA LYS 53 HA LYS 53 3.018 7.421 5.109 368 HB2 LYS 53 2HB LYS 53 0.752 6.219 6.188 369 HB3 LYS 53 1HB LYS 53 1.999 4.995 6.361 370 HG2 LYS 53 2HG LYS 53 3.343 7.138 7.283 371 HG3 LYS 53 1HG LYS 53 1.699 7.601 7.719 372 HD2 LYS 53 2HD LYS 53 2.937 4.939 8.431 373 HD3 LYS 53 1HD LYS 53 2.967 6.347 9.491 374 HE2 LYS 53 2HE LYS 53 0.660 6.296 9.829 375 HE3 LYS 53 1HE LYS 53 0.383 5.334 8.374 376 HZ1 LYS 53 3HZ LYS 53 0.713 4.440 11.009 377 HZ2 LYS 53 1HZ LYS 53 2.021 3.863 10.105 378 HZ3 LYS 53 2HZ LYS 53 0.439 3.518 9.618 379 H VAL 54 H VAL 54 4.742 5.889 5.831 380 HA VAL 54 HA VAL 54 5.088 3.568 4.083 381 HB VAL 54 HB VAL 54 7.078 5.853 4.228 382 HG11 VAL 54 1HG1 VAL 54 8.641 4.199 4.223 383 HG12 VAL 54 2HG1 VAL 54 8.251 4.152 2.504 384 HG13 VAL 54 3HG1 VAL 54 7.513 2.991 3.607 385 HG21 VAL 54 3HG2 VAL 54 5.811 6.426 2.429 386 HG22 VAL 54 1HG2 VAL 54 5.258 4.774 2.157 387 HG23 VAL 54 2HG2 VAL 54 6.864 5.265 1.619 388 H ASP 55 H ASP 55 6.033 1.903 4.996 389 HA ASP 55 HA ASP 55 7.370 2.224 7.597 390 HB2 ASP 55 2HB ASP 55 5.187 0.363 6.753 391 HB3 ASP 55 1HB ASP 55 6.418 -0.266 7.851 392 H SER 56 H SER 56 9.358 2.323 6.442 393 HA SER 56 HA SER 56 10.229 0.205 4.720 394 HB2 SER 56 2HB SER 56 11.842 2.404 6.030 395 HB3 SER 56 1HB SER 56 12.363 1.396 4.679 396 HG SER 56 HG SER 56 11.461 3.540 4.161 397 H ALA 57 H ALA 57 9.818 0.173 7.977 398 HA ALA 57 HA ALA 57 12.247 -1.254 8.692 399 HB1 ALA 57 3HB ALA 57 11.168 0.376 10.239 400 HB2 ALA 57 1HB ALA 57 11.427 -1.221 10.941 401 HB3 ALA 57 2HB ALA 57 9.817 -0.746 10.400 402 H ARG 58 H ARG 58 8.782 -1.930 8.334 403 HA ARG 58 HA ARG 58 9.337 -4.811 8.573 404 HB2 ARG 58 2HB ARG 58 6.980 -3.110 9.234 405 HB3 ARG 58 1HB ARG 58 6.683 -4.767 8.725 406 HG2 ARG 58 2HG ARG 58 7.753 -5.665 10.574 407 HG3 ARG 58 1HG ARG 58 8.662 -4.185 10.888 408 HD2 ARG 58 2HD ARG 58 6.578 -3.061 11.539 409 HD3 ARG 58 1HD ARG 58 5.691 -4.559 11.257 410 HE ARG 58 HE ARG 58 7.602 -5.285 13.035 411 HH11 ARG 58 1HH1 ARG 58 5.191 -2.731 13.061 412 HH12 ARG 58 2HH1 ARG 58 5.045 -2.730 14.788 413 HH21 ARG 58 1HH2 ARG 58 7.396 -5.265 15.292 414 HH22 ARG 58 2HH2 ARG 58 6.293 -4.163 16.049 415 H GLU 59 H GLU 59 9.306 -2.705 6.184 416 HA GLU 59 HA GLU 59 8.935 -2.704 3.942 417 HB2 GLU 59 2HB GLU 59 8.697 -5.670 4.460 418 HB3 GLU 59 1HB GLU 59 8.560 -4.991 2.844 419 HG2 GLU 59 2HG GLU 59 10.939 -4.272 4.476 420 HG3 GLU 59 1HG GLU 59 10.853 -5.893 3.777 421 H VAL 60 H VAL 60 6.889 -1.744 5.278 422 HA VAL 60 HA VAL 60 4.544 -2.621 3.740 423 HB VAL 60 HB VAL 60 4.109 -1.626 6.523 424 HG11 VAL 60 1HG1 VAL 60 2.214 -1.850 5.029 425 HG12 VAL 60 2HG1 VAL 60 2.090 -2.955 6.397 426 HG13 VAL 60 3HG1 VAL 60 2.582 -3.560 4.818 427 HG21 VAL 60 3HG2 VAL 60 5.043 -4.379 5.842 428 HG22 VAL 60 1HG2 VAL 60 3.916 -4.134 7.175 429 HG23 VAL 60 2HG2 VAL 60 5.497 -3.352 7.200 430 H CYS 61 H CYS 61 2.813 -0.891 3.685 431 HA CYS 61 HA CYS 61 3.558 1.838 4.288 432 HB2 CYS 61 2HB CYS 61 3.597 0.818 1.465 433 HB3 CYS 61 1HB CYS 61 3.119 2.482 1.806 434 HG CYS 61 HG CYS 61 5.554 3.233 1.515 435 H LEU 62 H LEU 62 1.842 3.227 4.301 436 HA LEU 62 HA LEU 62 -0.811 2.030 3.964 437 HB2 LEU 62 2HB LEU 62 0.172 3.644 5.955 438 HB3 LEU 62 1HB LEU 62 -0.591 4.808 4.908 439 HG LEU 62 HG LEU 62 -2.257 4.375 6.455 440 HD11 LEU 62 1HD1 LEU 62 -3.252 2.208 4.723 441 HD12 LEU 62 2HD1 LEU 62 -2.815 3.710 3.910 442 HD13 LEU 62 3HD1 LEU 62 -4.011 3.726 5.205 443 HD21 LEU 62 3HD2 LEU 62 -0.880 2.153 7.134 444 HD22 LEU 62 1HD2 LEU 62 -2.308 1.450 6.377 445 HD23 LEU 62 2HD2 LEU 62 -2.487 2.557 7.733 446 H VAL 63 H VAL 63 -2.206 2.697 2.407 447 HA VAL 63 HA VAL 63 -1.477 5.023 0.794 448 HB VAL 63 HB VAL 63 -0.761 3.794 -0.930 449 HG11 VAL 63 1HG1 VAL 63 -1.016 1.246 -0.934 450 HG12 VAL 63 2HG1 VAL 63 -1.607 1.460 0.712 451 HG13 VAL 63 3HG1 VAL 63 0.016 2.000 0.281 452 HG21 VAL 63 3HG2 VAL 63 -3.468 2.496 -1.035 453 HG22 VAL 63 1HG2 VAL 63 -2.292 2.593 -2.344 454 HG23 VAL 63 2HG2 VAL 63 -3.059 4.061 -1.738 455 H GLN 64 H GLN 64 -3.109 6.114 -0.159 456 HA GLN 64 HA GLN 64 -5.817 5.474 0.735 457 HB2 GLN 64 2HB GLN 64 -4.732 7.833 0.903 458 HB3 GLN 64 1HB GLN 64 -5.023 7.939 -0.827 459 HG2 GLN 64 2HG GLN 64 -7.137 8.545 -0.475 460 HG3 GLN 64 1HG GLN 64 -7.429 7.091 0.481 461 HE21 GLN 64 1HE2 GLN 64 -8.109 7.462 2.452 462 HE22 GLN 64 2HE2 GLN 64 -7.753 8.851 3.418 463 H PHE 65 H PHE 65 -7.557 5.313 -0.843 464 HA PHE 65 HA PHE 65 -6.546 4.532 -3.478 465 HB2 PHE 65 2HB PHE 65 -8.733 3.333 -1.790 466 HB3 PHE 65 1HB PHE 65 -8.430 2.878 -3.470 467 HD1 PHE 65 2HD PHE 65 -6.947 2.909 -0.073 468 HD2 PHE 65 1HD PHE 65 -6.656 1.494 -4.049 469 HE1 PHE 65 2HE PHE 65 -5.173 1.351 0.622 470 HE2 PHE 65 1HE PHE 65 -4.879 -0.070 -3.374 471 HZ PHE 65 HZ PHE 65 -4.152 -0.149 -1.037 472 H GLU 66 H GLU 66 -8.393 4.309 -5.138 473 HA GLU 66 HA GLU 66 -9.217 6.888 -5.859 474 HB2 GLU 66 2HB GLU 66 -9.737 4.140 -6.868 475 HB3 GLU 66 1HB GLU 66 -10.679 5.478 -7.517 476 HG2 GLU 66 2HG GLU 66 -7.718 5.746 -7.402 477 HG3 GLU 66 1HG GLU 66 -8.425 4.707 -8.640 478 H ASP 67 H ASP 67 -11.089 4.202 -4.424 479 HA ASP 67 HA ASP 67 -13.475 5.878 -4.425 480 HB2 ASP 67 2HB ASP 67 -13.451 3.403 -5.045 481 HB3 ASP 67 1HB ASP 67 -13.266 3.076 -3.329 482 H ASP 68 H ASP 68 -11.230 6.696 -2.791 483 HA ASP 68 HA ASP 68 -10.706 7.543 -0.766 484 HB2 ASP 68 2HB ASP 68 -13.711 7.591 -0.650 485 HB3 ASP 68 1HB ASP 68 -12.739 8.193 0.690 486 H SER 69 H SER 69 -9.947 5.114 -0.595 487 HA SER 69 HA SER 69 -10.939 4.123 1.996 488 HB2 SER 69 2HB SER 69 -11.263 2.726 -0.279 489 HB3 SER 69 1HB SER 69 -9.649 2.155 0.168 490 HG SER 69 HG SER 69 -11.093 0.821 1.170 491 H GLN 70 H GLN 70 -9.486 3.805 3.549 492 HA GLN 70 HA GLN 70 -6.646 4.157 2.889 493 HB2 GLN 70 2HB GLN 70 -8.318 4.840 5.227 494 HB3 GLN 70 1HB GLN 70 -6.753 4.150 5.629 495 HG2 GLN 70 2HG GLN 70 -6.996 6.436 3.706 496 HG3 GLN 70 1HG GLN 70 -6.955 6.694 5.450 497 HE21 GLN 70 1HE2 GLN 70 -5.158 5.746 2.646 498 HE22 GLN 70 2HE2 GLN 70 -3.592 5.764 3.389 499 H PHE 71 H PHE 71 -6.055 2.176 2.210 500 HA PHE 71 HA PHE 71 -6.515 -0.085 4.043 501 HB2 PHE 71 2HB PHE 71 -6.828 0.223 1.132 502 HB3 PHE 71 1HB PHE 71 -6.000 -1.248 1.607 503 HD1 PHE 71 1HD PHE 71 -8.483 -0.156 4.030 504 HD2 PHE 71 2HD PHE 71 -7.942 -2.248 0.361 505 HE1 PHE 71 1HE PHE 71 -10.658 -1.247 4.335 506 HE2 PHE 71 2HE PHE 71 -10.119 -3.345 0.667 507 HZ PHE 71 HZ PHE 71 -11.482 -2.844 2.654 508 H LEU 72 H LEU 72 -4.828 -0.915 4.956 509 HA LEU 72 HA LEU 72 -2.151 -0.087 4.404 510 HB2 LEU 72 2HB LEU 72 -3.066 -0.636 6.657 511 HB3 LEU 72 1HB LEU 72 -3.177 -2.313 6.179 512 HG LEU 72 HG LEU 72 -1.180 -1.454 7.666 513 HD11 LEU 72 1HD1 LEU 72 -0.372 -3.233 5.415 514 HD12 LEU 72 2HD1 LEU 72 -1.633 -3.740 6.539 515 HD13 LEU 72 3HD1 LEU 72 -0.021 -3.362 7.138 516 HD21 LEU 72 3HD2 LEU 72 -0.495 0.283 5.974 517 HD22 LEU 72 1HD2 LEU 72 0.036 -1.042 4.942 518 HD23 LEU 72 2HD2 LEU 72 0.786 -0.792 6.519 519 H VAL 73 H VAL 73 -0.786 -0.909 2.971 520 HA VAL 73 HA VAL 73 -1.126 -3.711 2.106 521 HB VAL 73 HB VAL 73 0.044 -1.871 0.101 522 HG11 VAL 73 1HG1 VAL 73 -0.704 -3.406 -1.428 523 HG12 VAL 73 2HG1 VAL 73 -2.091 -3.875 -0.445 524 HG13 VAL 73 3HG1 VAL 73 -0.475 -4.427 -0.011 525 HG21 VAL 73 3HG2 VAL 73 -1.857 -0.779 -0.594 526 HG22 VAL 73 1HG2 VAL 73 -2.106 -0.776 1.151 527 HG23 VAL 73 2HG2 VAL 73 -2.938 -1.959 0.144 528 H LEU 74 H LEU 74 0.692 -4.844 1.465 529 HA LEU 74 HA LEU 74 3.175 -3.908 2.672 530 HB2 LEU 74 2HB LEU 74 1.892 -6.457 2.387 531 HB3 LEU 74 1HB LEU 74 3.478 -6.519 1.649 532 HG LEU 74 HG LEU 74 4.225 -5.417 3.932 533 HD11 LEU 74 1HD1 LEU 74 2.871 -5.672 5.709 534 HD12 LEU 74 2HD1 LEU 74 2.140 -7.148 5.078 535 HD13 LEU 74 3HD1 LEU 74 1.613 -5.577 4.476 536 HD21 LEU 74 3HD2 LEU 74 5.116 -7.489 3.145 537 HD22 LEU 74 1HD2 LEU 74 3.605 -8.329 3.488 538 HD23 LEU 74 2HD2 LEU 74 4.594 -7.718 4.813 539 H TRP 75 H TRP 75 5.193 -4.157 1.588 540 HA TRP 75 HA TRP 75 5.234 -3.079 -1.003 541 HB2 TRP 75 2HB TRP 75 7.438 -4.409 0.576 542 HB3 TRP 75 1HB TRP 75 7.692 -3.535 -0.922 543 HD1 TRP 75 HD TRP 75 5.237 -1.957 1.535 544 HE1 TRP 75 1HE TRP 75 6.307 0.126 2.575 545 HE3 TRP 75 3HE TRP 75 10.050 -2.549 -0.154 546 HZ2 TRP 75 2HZ TRP 75 8.834 1.353 2.696 547 HZ3 TRP 75 3HZ TRP 75 11.726 -0.867 0.489 548 HH2 TRP 75 HH TRP 75 11.126 1.045 1.888 549 H LYS 76 H LYS 76 4.760 -6.323 -0.042 550 HA LYS 76 HA LYS 76 5.893 -7.489 -2.453 551 HB2 LYS 76 2HB LYS 76 5.262 -9.623 -1.584 552 HB3 LYS 76 1HB LYS 76 5.914 -8.685 -0.253 553 HG2 LYS 76 2HG LYS 76 3.376 -8.137 0.181 554 HG3 LYS 76 1HG LYS 76 3.128 -9.624 -0.730 555 HD2 LYS 76 2HD LYS 76 4.614 -10.809 0.825 556 HD3 LYS 76 1HD LYS 76 4.823 -9.321 1.749 557 HE2 LYS 76 2HE LYS 76 2.241 -9.338 1.909 558 HE3 LYS 76 1HE LYS 76 2.384 -11.035 1.455 559 HZ1 LYS 76 3HZ LYS 76 2.749 -9.874 3.979 560 HZ2 LYS 76 1HZ LYS 76 4.229 -10.531 3.489 561 HZ3 LYS 76 2HZ LYS 76 2.848 -11.507 3.552 562 H ASP 77 H ASP 77 2.749 -6.500 -1.289 563 HA ASP 77 HA ASP 77 1.391 -7.575 -3.647 564 HB2 ASP 77 2HB ASP 77 0.578 -6.760 -0.938 565 HB3 ASP 77 1HB ASP 77 -0.551 -6.308 -2.207 566 H ILE 78 H ILE 78 3.137 -4.915 -3.097 567 HA ILE 78 HA ILE 78 1.290 -3.061 -4.424 568 HB ILE 78 HB ILE 78 3.786 -2.521 -2.811 569 HG12 ILE 78 2HG1 ILE 78 0.986 -1.494 -2.345 570 HG13 ILE 78 1HG1 ILE 78 1.508 -3.061 -1.741 571 HG21 ILE 78 1HG2 ILE 78 2.472 -0.854 -4.826 572 HG22 ILE 78 2HG2 ILE 78 4.062 -0.681 -4.084 573 HG23 ILE 78 3HG2 ILE 78 2.633 -0.066 -3.254 574 HD11 ILE 78 3HD1 ILE 78 2.357 -2.104 0.037 575 HD12 ILE 78 1HD1 ILE 78 1.828 -0.531 -0.559 576 HD13 ILE 78 2HD1 ILE 78 3.432 -1.138 -0.972 577 H SER 79 H SER 79 1.714 -2.146 -6.332 578 HA SER 79 HA SER 79 4.245 -2.727 -7.709 579 HB2 SER 79 2HB SER 79 1.815 -3.932 -8.359 580 HB3 SER 79 1HB SER 79 1.948 -2.608 -9.522 581 HG SER 79 HG SER 79 3.905 -4.610 -9.023 582 HA PRO 80 HA PRO 80 3.885 1.855 -7.792 583 HB2 PRO 80 2HB PRO 80 6.273 1.444 -9.542 584 HB3 PRO 80 1HB PRO 80 6.031 2.597 -8.226 585 HG2 PRO 80 2HG PRO 80 7.514 0.450 -7.819 586 HG3 PRO 80 1HG PRO 80 6.357 0.976 -6.578 587 HD2 PRO 80 2HD PRO 80 6.133 -1.273 -8.547 588 HD3 PRO 80 1HD PRO 80 5.645 -1.214 -6.840 589 H ALA 81 H ALA 81 2.463 2.808 -9.050 590 HA ALA 81 HA ALA 81 1.874 1.877 -11.709 591 HB1 ALA 81 3HB ALA 81 0.313 2.861 -9.787 592 HB2 ALA 81 1HB ALA 81 -0.108 2.972 -11.497 593 HB3 ALA 81 2HB ALA 81 0.617 4.354 -10.674 594 H ALA 82 H ALA 82 2.760 2.591 -13.514 595 HA ALA 82 HA ALA 82 3.749 5.356 -13.668 596 HB1 ALA 82 3HB ALA 82 5.215 2.843 -14.390 597 HB2 ALA 82 1HB ALA 82 5.760 4.207 -13.412 598 HB3 ALA 82 2HB ALA 82 5.607 4.380 -15.161 599 H LEU 83 H LEU 83 2.719 2.469 -15.450 600 HA LEU 83 HA LEU 83 1.754 4.220 -17.615 601 HB2 LEU 83 2HB LEU 83 3.281 1.664 -17.730 602 HB3 LEU 83 1HB LEU 83 2.081 1.965 -18.972 603 HG LEU 83 HG LEU 83 3.924 4.205 -18.512 604 HD11 LEU 83 1HD1 LEU 83 5.779 3.139 -19.724 605 HD12 LEU 83 2HD1 LEU 83 4.943 1.591 -19.612 606 HD13 LEU 83 3HD1 LEU 83 5.494 2.402 -18.147 607 HD21 LEU 83 3HD2 LEU 83 3.190 2.708 -21.021 608 HD22 LEU 83 1HD2 LEU 83 3.876 4.328 -20.898 609 HD23 LEU 83 2HD2 LEU 83 2.232 4.021 -20.338 610 HA ALA 331 HA ALA 331 -23.783 -0.942 -7.801 611 HB1 ALA 331 3HB ALA 331 -22.021 -2.941 -9.192 612 HB2 ALA 331 1HB ALA 331 -22.799 -1.605 -10.042 613 HB3 ALA 331 2HB ALA 331 -23.781 -2.819 -9.222 614 H THR 332 H THR 332 -20.618 -2.364 -7.058 615 HA THR 332 HA THR 332 -21.858 -3.961 -4.920 616 HB THR 332 HB THR 332 -19.536 -5.095 -4.888 617 HG1 THR 332 1HG THR 332 -18.361 -4.903 -6.793 618 HG21 THR 332 1HG2 THR 332 -21.497 -5.410 -7.155 619 HG22 THR 332 2HG2 THR 332 -21.433 -6.317 -5.644 620 HG23 THR 332 3HG2 THR 332 -20.173 -6.537 -6.858 621 H GLY 333 H GLY 333 -19.085 -1.828 -5.589 622 HA2 GLY 333 2HA GLY 333 -19.088 -0.148 -3.531 623 HA3 GLY 333 1HA GLY 333 -18.496 -1.600 -2.740 624 H GLY 334 H GLY 334 -17.774 0.981 -4.932 625 HA2 GLY 334 2HA GLY 334 -15.484 1.822 -4.923 626 HA3 GLY 334 1HA GLY 334 -14.939 0.153 -4.923 627 H VAL 335 H VAL 335 -14.569 2.551 -6.760 628 HA VAL 335 HA VAL 335 -15.502 1.349 -9.275 629 HB VAL 335 HB VAL 335 -14.689 3.629 -10.250 630 HG11 VAL 335 1HG1 VAL 335 -16.968 2.950 -10.292 631 HG12 VAL 335 2HG1 VAL 335 -16.900 4.624 -9.742 632 HG13 VAL 335 3HG1 VAL 335 -17.165 3.323 -8.580 633 HG21 VAL 335 3HG2 VAL 335 -14.840 4.254 -7.314 634 HG22 VAL 335 1HG2 VAL 335 -15.204 5.483 -8.524 635 HG23 VAL 335 2HG2 VAL 335 -13.612 4.726 -8.488 636 H M3L 336 H M3L 336 -12.670 3.215 -8.197 637 HA M3L 336 HA M3L 336 -10.437 3.089 -8.605 638 HB2 M3L 336 1HB M3L 336 -9.343 1.019 -8.406 639 HB3 M3L 336 2HB M3L 336 -10.671 0.141 -9.149 640 HG2 M3L 336 1HG M3L 336 -11.127 -0.446 -7.025 641 HG3 M3L 336 2HG M3L 336 -11.913 1.133 -6.980 642 HD2 M3L 336 1HD M3L 336 -9.428 1.887 -6.344 643 HD3 M3L 336 2HD M3L 336 -9.394 0.237 -5.721 644 HE2 M3L 336 1HE M3L 336 -11.826 1.748 -5.024 645 HE3 M3L 336 2HE M3L 336 -10.358 2.435 -4.370 646 HM11 M3L 336 1HM1 M3L 336 -9.280 0.755 -2.125 647 HM12 M3L 336 2HM1 M3L 336 -8.708 0.495 -3.729 648 HM13 M3L 336 3HM1 M3L 336 -9.360 -0.824 -2.827 649 HM21 M3L 336 1HM2 M3L 336 -12.359 -0.540 -4.688 650 HM22 M3L 336 2HM2 M3L 336 -11.967 -1.273 -3.174 651 HM23 M3L 336 3HM2 M3L 336 -10.878 -1.415 -4.506 652 HM31 M3L 336 3HM3 M3L 336 -11.376 0.677 -1.504 653 HM32 M3L 336 1HM3 M3L 336 -12.683 1.014 -2.582 654 HM33 M3L 336 2HM3 M3L 336 -11.431 2.179 -2.350 655 H LYS 337 H LYS 337 -8.771 2.942 -10.192 656 HA LYS 337 HA LYS 337 -9.680 2.307 -12.915 657 HB2 LYS 337 2HB LYS 337 -8.358 4.884 -12.034 658 HB3 LYS 337 1HB LYS 337 -8.524 4.401 -13.712 659 HG2 LYS 337 2HG LYS 337 -10.358 5.729 -13.544 660 HG3 LYS 337 1HG LYS 337 -11.078 4.203 -13.039 661 HD2 LYS 337 2HD LYS 337 -11.570 5.032 -11.017 662 HD3 LYS 337 1HD LYS 337 -9.918 5.602 -10.768 663 HE2 LYS 337 2HE LYS 337 -10.499 7.576 -12.218 664 HE3 LYS 337 1HE LYS 337 -12.175 7.029 -12.169 665 HZ1 LYS 337 3HZ LYS 337 -11.425 8.767 -10.477 666 HZ2 LYS 337 1HZ LYS 337 -10.647 7.491 -9.684 667 HZ3 LYS 337 2HZ LYS 337 -12.323 7.454 -9.903 668 HA PRO 338 HA PRO 338 -5.116 1.079 -12.111 669 HB2 PRO 338 2HB PRO 338 -5.765 -1.590 -11.199 670 HB3 PRO 338 1HB PRO 338 -4.905 -0.315 -10.331 671 HG2 PRO 338 2HG PRO 338 -7.361 -1.208 -9.595 672 HG3 PRO 338 1HG PRO 338 -6.807 0.456 -9.328 673 HD2 PRO 338 2HD PRO 338 -8.525 -0.623 -11.557 674 HD3 PRO 338 1HD PRO 338 -8.793 0.811 -10.539 675 H HIS 339 H HIS 339 -4.384 -1.598 -12.556 676 HA HIS 339 HA HIS 339 -4.912 -1.862 -15.398 677 HB2 HIS 339 2HB HIS 339 -2.697 -2.270 -15.372 678 HB3 HIS 339 1HB HIS 339 -2.705 -2.272 -13.623 679 HD1 HIS 339 1HD HIS 339 -3.364 -4.782 -16.407 680 HD2 HIS 339 2HD HIS 339 -1.772 -4.518 -12.578 681 HE1 HIS 339 1HE HIS 339 -2.407 -7.050 -15.920 682 HE2 HIS 339 2HE HIS 339 -1.378 -6.852 -13.630 683 H ARG 340 H ARG 340 -5.164 -4.134 -16.275 684 HA ARG 340 HA ARG 340 -7.578 -5.243 -15.551 685 HB2 ARG 340 2HB ARG 340 -5.265 -6.269 -17.139 686 HB3 ARG 340 1HB ARG 340 -6.642 -7.318 -16.826 687 HG2 ARG 340 2HG ARG 340 -8.122 -5.628 -17.844 688 HG3 ARG 340 1HG ARG 340 -6.701 -4.652 -18.224 689 HD2 ARG 340 2HD ARG 340 -5.874 -6.868 -19.360 690 HD3 ARG 340 1HD ARG 340 -7.596 -7.246 -19.398 691 HE ARG 340 HE ARG 340 -7.309 -4.679 -20.412 692 HH11 ARG 340 1HH1 ARG 340 -6.293 -7.914 -21.326 693 HH12 ARG 340 2HH1 ARG 340 -6.266 -7.551 -23.019 694 HH21 ARG 340 1HH2 ARG 340 -7.268 -4.227 -22.633 695 HH22 ARG 340 2HH2 ARG 340 -6.818 -5.465 -23.757 696 H TYR 341 H TYR 341 -4.403 -6.165 -14.327 697 HA TYR 341 HA TYR 341 -5.726 -8.005 -12.448 698 HB2 TYR 341 2HB TYR 341 -3.349 -8.497 -14.195 699 HB3 TYR 341 1HB TYR 341 -3.401 -9.253 -12.605 700 HD1 TYR 341 1HD TYR 341 -4.954 -9.126 -15.930 701 HD2 TYR 341 2HD TYR 341 -4.980 -11.020 -12.119 702 HE1 TYR 341 1HE TYR 341 -6.363 -10.924 -16.840 703 HE2 TYR 341 2HE TYR 341 -6.389 -12.823 -13.020 704 HH TYR 341 HH TYR 341 -6.810 -13.397 -16.239 Start of MODEL 10 1 HA SER 5 HA SER 5 -22.971 -17.977 2.715 2 HB2 SER 5 2HB SER 5 -24.225 -19.879 1.504 3 HB3 SER 5 1HB SER 5 -23.641 -19.138 0.015 4 HG SER 5 HG SER 5 -21.495 -19.269 1.170 5 H ARG 6 H ARG 6 -20.988 -17.349 1.876 6 HA ARG 6 HA ARG 6 -21.109 -15.092 0.019 7 HB2 ARG 6 2HB ARG 6 -19.612 -15.667 2.374 8 HB3 ARG 6 1HB ARG 6 -18.482 -15.476 1.042 9 HG2 ARG 6 2HG ARG 6 -19.483 -13.299 0.519 10 HG3 ARG 6 1HG ARG 6 -20.585 -13.490 1.883 11 HD2 ARG 6 2HD ARG 6 -18.967 -13.060 3.422 12 HD3 ARG 6 1HD ARG 6 -17.700 -13.815 2.456 13 HE ARG 6 HE ARG 6 -18.451 -11.497 1.130 14 HH11 ARG 6 1HH1 ARG 6 -16.984 -12.312 4.216 15 HH12 ARG 6 2HH1 ARG 6 -16.103 -10.824 4.320 16 HH21 ARG 6 1HH2 ARG 6 -17.286 -9.558 1.286 17 HH22 ARG 6 2HH2 ARG 6 -16.275 -9.268 2.662 18 H LEU 7 H LEU 7 -20.133 -18.374 0.119 19 HA LEU 7 HA LEU 7 -19.183 -19.811 -1.350 20 HB2 LEU 7 2HB LEU 7 -19.947 -17.569 -3.165 21 HB3 LEU 7 1HB LEU 7 -18.918 -18.842 -3.793 22 HG LEU 7 HG LEU 7 -21.295 -19.827 -2.384 23 HD11 LEU 7 1HD1 LEU 7 -22.349 -17.898 -3.326 24 HD12 LEU 7 2HD1 LEU 7 -22.795 -19.301 -4.298 25 HD13 LEU 7 3HD1 LEU 7 -21.573 -18.173 -4.885 26 HD21 LEU 7 3HD2 LEU 7 -21.371 -21.345 -4.235 27 HD22 LEU 7 1HD2 LEU 7 -19.694 -21.193 -3.714 28 HD23 LEU 7 2HD2 LEU 7 -20.247 -20.351 -5.161 29 H SER 8 H SER 8 -17.170 -20.476 -1.434 30 HA SER 8 HA SER 8 -14.910 -20.584 -1.499 31 HB2 SER 8 2HB SER 8 -15.570 -18.967 -3.666 32 HB3 SER 8 1HB SER 8 -14.290 -18.077 -2.841 33 HG SER 8 HG SER 8 -12.897 -19.587 -3.355 34 H ARG 9 H ARG 9 -13.100 -19.983 -0.374 35 HA ARG 9 HA ARG 9 -13.498 -17.844 1.592 36 HB2 ARG 9 2HB ARG 9 -12.462 -20.498 1.730 37 HB3 ARG 9 1HB ARG 9 -11.166 -19.386 2.151 38 HG2 ARG 9 2HG ARG 9 -12.410 -18.469 3.942 39 HG3 ARG 9 1HG ARG 9 -13.890 -19.272 3.413 40 HD2 ARG 9 2HD ARG 9 -11.487 -20.908 4.099 41 HD3 ARG 9 1HD ARG 9 -12.491 -20.254 5.393 42 HE ARG 9 HE ARG 9 -13.850 -21.743 3.292 43 HH11 ARG 9 1HH1 ARG 9 -12.559 -21.781 6.559 44 HH12 ARG 9 2HH1 ARG 9 -13.483 -23.168 7.030 45 HH21 ARG 9 1HH2 ARG 9 -15.049 -23.558 3.932 46 HH22 ARG 9 2HH2 ARG 9 -14.890 -24.173 5.543 47 H SER 10 H SER 10 -11.673 -16.485 2.188 48 HA SER 10 HA SER 10 -10.177 -15.630 -0.155 49 HB2 SER 10 2HB SER 10 -9.531 -13.693 1.339 50 HB3 SER 10 1HB SER 10 -11.259 -13.861 1.035 51 HG SER 10 HG SER 10 -10.973 -13.531 3.218 52 H GLY 11 H GLY 11 -9.512 -16.734 3.159 53 HA2 GLY 11 2HA GLY 11 -7.686 -18.089 3.785 54 HA3 GLY 11 1HA GLY 11 -6.867 -17.638 2.300 55 H ALA 12 H ALA 12 -8.176 -14.954 3.908 56 HA ALA 12 HA ALA 12 -5.511 -14.208 4.898 57 HB1 ALA 12 3HB ALA 12 -6.481 -11.877 4.893 58 HB2 ALA 12 1HB ALA 12 -7.885 -12.557 4.070 59 HB3 ALA 12 2HB ALA 12 -6.294 -12.636 3.311 60 H SER 13 H SER 13 -5.192 -13.452 6.966 61 HA SER 13 HA SER 13 -7.324 -14.083 8.881 62 HB2 SER 13 2HB SER 13 -4.945 -15.128 8.978 63 HB3 SER 13 1HB SER 13 -4.461 -13.568 9.642 64 HG SER 13 HG SER 13 -5.410 -14.055 11.456 65 H SER 14 H SER 14 -8.418 -12.488 9.767 66 HA SER 14 HA SER 14 -7.101 -9.905 10.252 67 HB2 SER 14 2HB SER 14 -9.297 -8.794 9.626 68 HB3 SER 14 1HB SER 14 -8.391 -9.485 8.282 69 HG SER 14 HG SER 14 -10.382 -10.978 9.609 70 H LEU 15 H LEU 15 -7.247 -9.323 12.300 71 HA LEU 15 HA LEU 15 -9.602 -10.096 13.874 72 HB2 LEU 15 2HB LEU 15 -6.718 -10.574 14.566 73 HB3 LEU 15 1HB LEU 15 -7.931 -10.415 15.822 74 HG LEU 15 HG LEU 15 -8.741 -12.324 13.788 75 HD11 LEU 15 1HD1 LEU 15 -6.173 -12.850 15.277 76 HD12 LEU 15 2HD1 LEU 15 -6.365 -12.707 13.530 77 HD13 LEU 15 3HD1 LEU 15 -7.104 -14.057 14.391 78 HD21 LEU 15 3HD2 LEU 15 -9.741 -12.055 16.030 79 HD22 LEU 15 1HD2 LEU 15 -8.233 -12.622 16.745 80 HD23 LEU 15 2HD2 LEU 15 -9.183 -13.699 15.721 81 H TRP 16 H TRP 16 -6.672 -8.076 13.748 82 HA TRP 16 HA TRP 16 -8.206 -5.880 14.949 83 HB2 TRP 16 2HB TRP 16 -6.062 -5.206 16.177 84 HB3 TRP 16 1HB TRP 16 -6.956 -6.573 16.826 85 HD1 TRP 16 HD TRP 16 -3.738 -5.781 14.861 86 HE1 TRP 16 1HE TRP 16 -2.086 -7.726 15.176 87 HE3 TRP 16 3HE TRP 16 -6.761 -9.025 17.427 88 HZ2 TRP 16 2HZ TRP 16 -2.059 -10.288 16.350 89 HZ3 TRP 16 3HZ TRP 16 -5.838 -11.201 18.107 90 HH2 TRP 16 HH TRP 16 -3.536 -11.819 17.578 91 H ASP 17 H ASP 17 -7.561 -3.786 14.361 92 HA ASP 17 HA ASP 17 -5.736 -3.637 12.052 93 HB2 ASP 17 2HB ASP 17 -8.490 -2.581 12.424 94 HB3 ASP 17 1HB ASP 17 -7.348 -1.549 11.567 95 HA PRO 18 HA PRO 18 -3.638 -0.617 14.623 96 HB2 PRO 18 2HB PRO 18 -1.859 0.333 12.812 97 HB3 PRO 18 1HB PRO 18 -1.694 -1.253 13.572 98 HG2 PRO 18 2HG PRO 18 -2.730 -0.549 10.855 99 HG3 PRO 18 1HG PRO 18 -1.680 -1.893 11.341 100 HD2 PRO 18 2HD PRO 18 -4.362 -2.161 10.891 101 HD3 PRO 18 1HD PRO 18 -3.450 -3.193 12.007 102 H ALA 19 H ALA 19 -4.308 1.331 15.213 103 HA ALA 19 HA ALA 19 -5.405 3.158 13.180 104 HB1 ALA 19 3HB ALA 19 -7.037 2.470 14.826 105 HB2 ALA 19 1HB ALA 19 -6.674 4.184 15.020 106 HB3 ALA 19 2HB ALA 19 -5.982 3.005 16.134 107 H SER 20 H SER 20 -2.903 2.789 15.521 108 HA SER 20 HA SER 20 -2.309 5.654 15.566 109 HB2 SER 20 2HB SER 20 -1.404 3.306 17.205 110 HB3 SER 20 1HB SER 20 -0.451 4.791 17.187 111 HG SER 20 HG SER 20 -3.227 4.769 17.734 112 HA PRO 21 HA PRO 21 0.772 4.874 12.362 113 HB2 PRO 21 2HB PRO 21 1.621 7.413 12.013 114 HB3 PRO 21 1HB PRO 21 0.064 6.845 11.404 115 HG2 PRO 21 2HG PRO 21 0.674 8.468 13.838 116 HG3 PRO 21 1HG PRO 21 -0.672 8.623 12.696 117 HD2 PRO 21 2HD PRO 21 -0.857 7.394 15.151 118 HD3 PRO 21 1HD PRO 21 -1.923 7.045 13.778 119 H ALA 22 H ALA 22 3.107 5.217 12.013 120 HA ALA 22 HA ALA 22 4.569 5.085 14.541 121 HB1 ALA 22 3HB ALA 22 6.367 4.084 13.252 122 HB2 ALA 22 1HB ALA 22 5.492 4.396 11.754 123 HB3 ALA 22 2HB ALA 22 4.846 3.251 12.929 124 HA PRO 23 HA PRO 23 6.210 9.203 13.868 125 HB2 PRO 23 2HB PRO 23 8.170 9.210 15.743 126 HB3 PRO 23 1HB PRO 23 6.456 9.350 16.148 127 HG2 PRO 23 2HG PRO 23 8.249 6.959 16.283 128 HG3 PRO 23 1HG PRO 23 7.002 7.491 17.426 129 HD2 PRO 23 2HD PRO 23 6.616 5.503 15.593 130 HD3 PRO 23 1HD PRO 23 5.308 6.529 16.213 131 H THR 24 H THR 24 8.206 10.324 13.288 132 HA THR 24 HA THR 24 10.060 10.672 12.035 133 HB THR 24 HB THR 24 11.271 7.995 12.339 134 HG1 THR 24 1HG THR 24 11.050 9.632 14.650 135 HG21 THR 24 1HG2 THR 24 12.326 10.685 13.189 136 HG22 THR 24 2HG2 THR 24 12.382 10.126 11.518 137 HG23 THR 24 3HG2 THR 24 13.240 9.235 12.773 138 H SER 25 H SER 25 10.264 10.735 9.918 139 HA SER 25 HA SER 25 9.630 8.348 8.319 140 HB2 SER 25 2HB SER 25 8.600 9.935 6.624 141 HB3 SER 25 1HB SER 25 7.677 9.707 8.110 142 HG SER 25 HG SER 25 7.952 11.739 8.575 143 H GLY 26 H GLY 26 10.944 7.953 6.611 144 HA2 GLY 26 2HA GLY 26 13.032 9.956 6.007 145 HA3 GLY 26 1HA GLY 26 13.406 8.250 6.192 146 HA PRO 27 HA PRO 27 11.209 8.892 1.939 147 HB2 PRO 27 2HB PRO 27 11.575 11.278 0.729 148 HB3 PRO 27 1HB PRO 27 10.237 10.974 1.840 149 HG2 PRO 27 2HG PRO 27 12.787 12.449 2.301 150 HG3 PRO 27 1HG PRO 27 11.166 12.784 2.930 151 HD2 PRO 27 2HD PRO 27 13.203 11.521 4.335 152 HD3 PRO 27 1HD PRO 27 11.480 11.430 4.738 153 H ARG 28 H ARG 28 12.783 7.418 1.354 154 HA ARG 28 HA ARG 28 14.879 8.447 -0.396 155 HB2 ARG 28 2HB ARG 28 15.414 7.296 2.179 156 HB3 ARG 28 1HB ARG 28 16.033 6.217 0.937 157 HG2 ARG 28 2HG ARG 28 16.666 9.121 0.730 158 HG3 ARG 28 1HG ARG 28 17.507 8.156 1.943 159 HD2 ARG 28 2HD ARG 28 18.696 7.003 0.393 160 HD3 ARG 28 1HD ARG 28 17.365 6.985 -0.765 161 HE ARG 28 HE ARG 28 19.264 9.196 -0.368 162 HH11 ARG 28 1HH1 ARG 28 16.818 7.625 -2.340 163 HH12 ARG 28 2HH1 ARG 28 17.092 8.658 -3.703 164 HH21 ARG 28 1HH2 ARG 28 19.603 10.535 -2.166 165 HH22 ARG 28 2HH2 ARG 28 18.666 10.302 -3.604 166 HA PRO 29 HA PRO 29 13.957 3.824 -1.564 167 HB2 PRO 29 2HB PRO 29 11.636 2.986 0.019 168 HB3 PRO 29 1HB PRO 29 13.200 2.187 -0.172 169 HG2 PRO 29 2HG PRO 29 12.465 3.327 2.151 170 HG3 PRO 29 1HG PRO 29 14.149 3.337 1.594 171 HD2 PRO 29 2HD PRO 29 12.084 5.510 1.401 172 HD3 PRO 29 1HD PRO 29 13.778 5.619 1.929 173 H ARG 30 H ARG 30 12.107 2.685 -2.768 174 HA ARG 30 HA ARG 30 10.785 4.445 -4.461 175 HB2 ARG 30 2HB ARG 30 11.260 1.803 -4.504 176 HB3 ARG 30 1HB ARG 30 9.560 1.772 -4.055 177 HG2 ARG 30 2HG ARG 30 8.869 2.581 -6.083 178 HG3 ARG 30 1HG ARG 30 10.374 3.456 -6.373 179 HD2 ARG 30 2HD ARG 30 10.458 0.484 -6.264 180 HD3 ARG 30 1HD ARG 30 9.787 1.253 -7.701 181 HE ARG 30 HE ARG 30 11.920 2.364 -8.002 182 HH11 ARG 30 1HH1 ARG 30 11.933 -0.331 -5.747 183 HH12 ARG 30 2HH1 ARG 30 13.637 -0.597 -5.901 184 HH21 ARG 30 1HH2 ARG 30 14.147 1.996 -8.185 185 HH22 ARG 30 2HH2 ARG 30 14.889 0.719 -7.278 186 H LEU 31 H LEU 31 9.601 2.883 -1.532 187 HA LEU 31 HA LEU 31 6.882 3.805 -1.836 188 HB2 LEU 31 2HB LEU 31 8.422 2.160 0.083 189 HB3 LEU 31 1HB LEU 31 7.078 3.042 0.764 190 HG LEU 31 HG LEU 31 6.193 0.935 0.304 191 HD11 LEU 31 1HD1 LEU 31 5.417 2.148 -2.298 192 HD12 LEU 31 2HD1 LEU 31 4.982 2.958 -0.792 193 HD13 LEU 31 3HD1 LEU 31 4.439 1.307 -1.096 194 HD21 LEU 31 3HD2 LEU 31 7.634 0.996 -2.335 195 HD22 LEU 31 1HD2 LEU 31 6.465 -0.237 -1.865 196 HD23 LEU 31 2HD2 LEU 31 7.962 -0.048 -0.952 197 H TRP 32 H TRP 32 6.389 5.871 -1.609 198 HA TRP 32 HA TRP 32 7.336 7.362 0.714 199 HB2 TRP 32 2HB TRP 32 8.100 9.284 -0.578 200 HB3 TRP 32 1HB TRP 32 8.994 7.855 -1.070 201 HD1 TRP 32 HD TRP 32 7.865 6.667 -3.443 202 HE1 TRP 32 1HE TRP 32 7.146 7.904 -5.577 203 HE3 TRP 32 3HE TRP 32 7.323 11.385 -1.524 204 HZ2 TRP 32 2HZ TRP 32 6.453 10.523 -6.358 205 HZ3 TRP 32 3HZ TRP 32 6.633 13.196 -3.037 206 HH2 TRP 32 HH TRP 32 6.208 12.773 -5.404 207 H GLU 33 H GLU 33 6.135 9.418 1.030 208 HA GLU 33 HA GLU 33 3.346 9.038 0.769 209 HB2 GLU 33 2HB GLU 33 5.054 11.332 1.684 210 HB3 GLU 33 1HB GLU 33 3.312 11.516 1.543 211 HG2 GLU 33 2HG GLU 33 2.929 9.798 3.156 212 HG3 GLU 33 1HG GLU 33 4.640 9.374 3.183 213 H GLY 34 H GLY 34 2.138 9.269 -0.962 214 HA2 GLY 34 2HA GLY 34 1.087 10.566 -2.640 215 HA3 GLY 34 1HA GLY 34 2.528 11.562 -2.748 216 H GLN 35 H GLN 35 2.674 8.071 -2.706 217 HA GLN 35 HA GLN 35 3.679 8.113 -5.466 218 HB2 GLN 35 2HB GLN 35 5.383 7.166 -4.217 219 HB3 GLN 35 1HB GLN 35 4.281 6.493 -3.025 220 HG2 GLN 35 2HG GLN 35 4.465 4.490 -3.973 221 HG3 GLN 35 1HG GLN 35 3.857 5.136 -5.500 222 HE21 GLN 35 1HE2 GLN 35 5.900 3.104 -4.824 223 HE22 GLN 35 2HE2 GLN 35 7.333 3.592 -5.646 224 H ASP 36 H ASP 36 2.340 7.414 -7.009 225 HA ASP 36 HA ASP 36 -0.131 6.100 -6.403 226 HB2 ASP 36 2HB ASP 36 1.243 6.691 -9.024 227 HB3 ASP 36 1HB ASP 36 -0.303 5.868 -8.930 228 H VAL 37 H VAL 37 -0.195 4.123 -5.731 229 HA VAL 37 HA VAL 37 1.689 2.137 -6.806 230 HB VAL 37 HB VAL 37 1.218 0.875 -4.691 231 HG11 VAL 37 1HG1 VAL 37 2.442 3.607 -4.395 232 HG12 VAL 37 2HG1 VAL 37 3.256 2.150 -4.967 233 HG13 VAL 37 3HG1 VAL 37 2.694 2.249 -3.299 234 HG21 VAL 37 3HG2 VAL 37 0.083 1.793 -2.863 235 HG22 VAL 37 1HG2 VAL 37 -0.941 2.215 -4.232 236 HG23 VAL 37 2HG2 VAL 37 0.127 3.425 -3.525 237 H LEU 38 H LEU 38 0.975 -0.084 -6.756 238 HA LEU 38 HA LEU 38 -1.883 -0.406 -7.359 239 HB2 LEU 38 2HB LEU 38 0.512 -1.763 -8.586 240 HB3 LEU 38 1HB LEU 38 -1.138 -2.292 -8.848 241 HG LEU 38 HG LEU 38 -0.194 0.484 -9.547 242 HD11 LEU 38 1HD1 LEU 38 0.058 -2.067 -11.057 243 HD12 LEU 38 2HD1 LEU 38 1.161 -0.695 -10.964 244 HD13 LEU 38 3HD1 LEU 38 -0.307 -0.582 -11.935 245 HD21 LEU 38 3HD2 LEU 38 -2.710 -0.880 -9.579 246 HD22 LEU 38 1HD2 LEU 38 -2.249 -0.430 -11.221 247 HD23 LEU 38 2HD2 LEU 38 -2.348 0.801 -9.962 248 H ALA 39 H ALA 39 -2.651 -1.136 -5.549 249 HA ALA 39 HA ALA 39 -1.230 -3.139 -3.969 250 HB1 ALA 39 3HB ALA 39 -3.894 -2.016 -3.215 251 HB2 ALA 39 1HB ALA 39 -2.477 -0.971 -3.139 252 HB3 ALA 39 2HB ALA 39 -2.532 -2.457 -2.194 253 H ARG 40 H ARG 40 -1.526 -5.168 -4.594 254 HA ARG 40 HA ARG 40 -3.744 -6.080 -6.135 255 HB2 ARG 40 2HB ARG 40 -1.191 -6.968 -5.617 256 HB3 ARG 40 1HB ARG 40 -2.176 -8.110 -4.729 257 HG2 ARG 40 2HG ARG 40 -3.302 -8.829 -6.671 258 HG3 ARG 40 1HG ARG 40 -2.691 -7.470 -7.614 259 HD2 ARG 40 2HD ARG 40 -1.387 -9.276 -8.310 260 HD3 ARG 40 1HD ARG 40 -0.364 -8.433 -7.150 261 HE ARG 40 HE ARG 40 -1.968 -10.695 -6.212 262 HH11 ARG 40 1HH1 ARG 40 1.206 -9.412 -6.998 263 HH12 ARG 40 2HH1 ARG 40 2.049 -10.689 -6.187 264 HH21 ARG 40 1HH2 ARG 40 -0.842 -12.356 -5.156 265 HH22 ARG 40 2HH2 ARG 40 0.891 -12.352 -5.146 266 H TRP 41 H TRP 41 -5.694 -6.684 -5.442 267 HA TRP 41 HA TRP 41 -6.201 -7.004 -2.607 268 HB2 TRP 41 2HB TRP 41 -7.667 -5.596 -4.010 269 HB3 TRP 41 1HB TRP 41 -8.168 -7.021 -4.908 270 HD1 TRP 41 HD TRP 41 -7.920 -6.905 -1.027 271 HE1 TRP 41 1HE TRP 41 -10.279 -7.271 -0.066 272 HE3 TRP 41 3HE TRP 41 -10.572 -6.875 -5.377 273 HZ2 TRP 41 2HZ TRP 41 -12.924 -7.510 -1.029 274 HZ3 TRP 41 3HZ TRP 41 -13.021 -7.175 -5.283 275 HH2 TRP 41 HH TRP 41 -14.169 -7.487 -3.149 276 H THR 42 H THR 42 -7.344 -8.792 -1.699 277 HA THR 42 HA THR 42 -6.232 -11.291 -2.446 278 HB THR 42 HB THR 42 -6.584 -10.793 -0.115 279 HG1 THR 42 1HG THR 42 -7.084 -12.813 0.364 280 HG21 THR 42 1HG2 THR 42 -9.550 -10.809 -0.713 281 HG22 THR 42 2HG2 THR 42 -8.590 -9.425 -0.188 282 HG23 THR 42 3HG2 THR 42 -8.843 -10.788 0.903 283 H ASP 43 H ASP 43 -8.882 -9.797 -3.810 284 HA ASP 43 HA ASP 43 -10.392 -12.258 -4.257 285 HB2 ASP 43 2HB ASP 43 -11.005 -9.433 -4.280 286 HB3 ASP 43 1HB ASP 43 -11.545 -10.200 -5.774 287 H GLY 44 H GLY 44 -7.791 -10.740 -5.653 288 HA2 GLY 44 2HA GLY 44 -6.704 -11.786 -7.535 289 HA3 GLY 44 1HA GLY 44 -8.289 -12.081 -8.230 290 H LEU 45 H LEU 45 -8.878 -9.169 -7.251 291 HA LEU 45 HA LEU 45 -8.060 -7.921 -9.750 292 HB2 LEU 45 2HB LEU 45 -10.065 -7.230 -7.625 293 HB3 LEU 45 1HB LEU 45 -9.609 -6.073 -8.867 294 HG LEU 45 HG LEU 45 -10.366 -8.690 -9.936 295 HD11 LEU 45 1HD1 LEU 45 -11.903 -8.687 -8.078 296 HD12 LEU 45 2HD1 LEU 45 -12.776 -8.345 -9.571 297 HD13 LEU 45 3HD1 LEU 45 -12.399 -7.036 -8.452 298 HD21 LEU 45 3HD2 LEU 45 -9.965 -6.600 -11.229 299 HD22 LEU 45 1HD2 LEU 45 -11.417 -5.925 -10.491 300 HD23 LEU 45 2HD2 LEU 45 -11.536 -7.347 -11.528 301 H LEU 46 H LEU 46 -7.087 -5.888 -9.870 302 HA LEU 46 HA LEU 46 -5.156 -5.332 -7.777 303 HB2 LEU 46 2HB LEU 46 -4.564 -5.465 -10.220 304 HB3 LEU 46 1HB LEU 46 -5.558 -4.045 -10.482 305 HG LEU 46 HG LEU 46 -3.992 -2.762 -9.019 306 HD11 LEU 46 1HD1 LEU 46 -2.459 -3.813 -7.801 307 HD12 LEU 46 2HD1 LEU 46 -1.710 -4.424 -9.279 308 HD13 LEU 46 3HD1 LEU 46 -2.967 -5.360 -8.474 309 HD21 LEU 46 3HD2 LEU 46 -3.547 -2.289 -11.169 310 HD22 LEU 46 1HD2 LEU 46 -3.416 -3.981 -11.633 311 HD23 LEU 46 2HD2 LEU 46 -2.064 -3.175 -10.834 312 H TYR 47 H TYR 47 -4.715 -2.991 -7.238 313 HA TYR 47 HA TYR 47 -7.112 -1.301 -7.182 314 HB2 TYR 47 2HB TYR 47 -5.502 -2.247 -4.821 315 HB3 TYR 47 1HB TYR 47 -6.301 -0.689 -4.772 316 HD1 TYR 47 1HD TYR 47 -8.624 -2.583 -6.534 317 HD2 TYR 47 2HD TYR 47 -6.909 -2.300 -2.652 318 HE1 TYR 47 1HE TYR 47 -10.619 -3.633 -5.587 319 HE2 TYR 47 2HE TYR 47 -8.908 -3.351 -1.698 320 HH TYR 47 HH TYR 47 -10.759 -4.887 -2.512 321 H LEU 48 H LEU 48 -6.645 0.764 -7.712 322 HA LEU 48 HA LEU 48 -3.824 1.544 -7.859 323 HB2 LEU 48 2HB LEU 48 -5.049 1.836 -9.929 324 HB3 LEU 48 1HB LEU 48 -6.307 2.746 -9.112 325 HG LEU 48 HG LEU 48 -4.554 4.529 -8.651 326 HD11 LEU 48 1HD1 LEU 48 -2.984 2.959 -10.694 327 HD12 LEU 48 2HD1 LEU 48 -2.558 3.164 -8.994 328 HD13 LEU 48 3HD1 LEU 48 -2.574 4.559 -10.073 329 HD21 LEU 48 3HD2 LEU 48 -4.575 5.307 -11.080 330 HD22 LEU 48 1HD2 LEU 48 -6.134 5.012 -10.309 331 HD23 LEU 48 2HD2 LEU 48 -5.461 3.821 -11.423 332 H GLY 49 H GLY 49 -2.973 2.778 -6.351 333 HA2 GLY 49 2HA GLY 49 -4.685 4.673 -4.901 334 HA3 GLY 49 1HA GLY 49 -3.819 3.469 -3.976 335 H THR 50 H THR 50 -3.293 5.755 -3.110 336 HA THR 50 HA THR 50 -0.623 6.438 -4.131 337 HB THR 50 HB THR 50 -1.887 8.716 -2.834 338 HG1 THR 50 1HG THR 50 -3.226 7.478 -4.960 339 HG21 THR 50 1HG2 THR 50 0.234 8.678 -4.164 340 HG22 THR 50 2HG2 THR 50 -0.914 9.912 -4.679 341 HG23 THR 50 3HG2 THR 50 -0.739 8.427 -5.613 342 H ILE 51 H ILE 51 0.901 6.624 -2.597 343 HA ILE 51 HA ILE 51 0.410 5.423 -0.089 344 HB ILE 51 HB ILE 51 2.884 6.844 -1.079 345 HG12 ILE 51 2HG1 ILE 51 2.152 4.938 -2.479 346 HG13 ILE 51 1HG1 ILE 51 3.688 4.621 -1.694 347 HG21 ILE 51 1HG2 ILE 51 3.638 6.651 1.031 348 HG22 ILE 51 2HG2 ILE 51 3.734 4.920 0.703 349 HG23 ILE 51 3HG2 ILE 51 2.309 5.587 1.498 350 HD11 ILE 51 3HD1 ILE 51 1.824 3.589 0.067 351 HD12 ILE 51 1HD1 ILE 51 2.800 2.675 -1.076 352 HD13 ILE 51 2HD1 ILE 51 1.184 3.191 -1.523 353 H LYS 52 H LYS 52 -0.446 6.226 1.614 354 HA LYS 52 HA LYS 52 -0.291 9.095 2.190 355 HB2 LYS 52 2HB LYS 52 -2.249 7.014 2.648 356 HB3 LYS 52 1HB LYS 52 -1.841 7.811 4.160 357 HG2 LYS 52 2HG LYS 52 -2.435 9.538 1.818 358 HG3 LYS 52 1HG LYS 52 -3.778 8.684 2.574 359 HD2 LYS 52 2HD LYS 52 -3.579 9.840 4.554 360 HD3 LYS 52 1HD LYS 52 -1.862 10.165 4.313 361 HE2 LYS 52 2HE LYS 52 -2.431 11.762 2.533 362 HE3 LYS 52 1HE LYS 52 -4.144 11.456 2.822 363 HZ1 LYS 52 3HZ LYS 52 -3.116 12.090 5.281 364 HZ2 LYS 52 1HZ LYS 52 -4.045 13.099 4.290 365 HZ3 LYS 52 2HZ LYS 52 -2.357 13.174 4.227 366 H LYS 53 H LYS 53 0.905 6.016 3.265 367 HA LYS 53 HA LYS 53 2.624 7.321 5.217 368 HB2 LYS 53 2HB LYS 53 0.299 6.020 6.107 369 HB3 LYS 53 1HB LYS 53 1.598 4.876 6.397 370 HG2 LYS 53 2HG LYS 53 1.587 6.030 8.375 371 HG3 LYS 53 1HG LYS 53 2.798 6.935 7.470 372 HD2 LYS 53 2HD LYS 53 0.211 8.036 6.917 373 HD3 LYS 53 1HD LYS 53 0.419 7.908 8.663 374 HE2 LYS 53 2HE LYS 53 2.494 9.144 8.540 375 HE3 LYS 53 1HE LYS 53 2.395 9.188 6.780 376 HZ1 LYS 53 3HZ LYS 53 1.619 11.258 7.500 377 HZ2 LYS 53 1HZ LYS 53 0.683 10.590 8.743 378 HZ3 LYS 53 2HZ LYS 53 0.214 10.393 7.129 379 H VAL 54 H VAL 54 4.382 5.901 5.940 380 HA VAL 54 HA VAL 54 4.875 3.602 4.183 381 HB VAL 54 HB VAL 54 6.831 5.891 4.569 382 HG11 VAL 54 1HG1 VAL 54 7.226 3.163 3.371 383 HG12 VAL 54 2HG1 VAL 54 8.200 3.977 4.595 384 HG13 VAL 54 3HG1 VAL 54 8.239 4.535 2.922 385 HG21 VAL 54 3HG2 VAL 54 6.165 6.657 2.579 386 HG22 VAL 54 1HG2 VAL 54 4.839 5.497 2.651 387 HG23 VAL 54 2HG2 VAL 54 6.347 5.062 1.848 388 H ASP 55 H ASP 55 5.783 1.928 5.121 389 HA ASP 55 HA ASP 55 7.001 2.221 7.782 390 HB2 ASP 55 2HB ASP 55 4.896 0.321 6.818 391 HB3 ASP 55 1HB ASP 55 6.068 -0.261 8.003 392 H SER 56 H SER 56 9.035 2.355 6.723 393 HA SER 56 HA SER 56 9.999 0.286 4.991 394 HB2 SER 56 2HB SER 56 10.722 2.735 5.024 395 HB3 SER 56 1HB SER 56 11.700 2.315 6.430 396 HG SER 56 HG SER 56 13.123 1.701 5.019 397 H ALA 57 H ALA 57 9.495 0.234 8.260 398 HA ALA 57 HA ALA 57 11.895 -1.223 9.012 399 HB1 ALA 57 3HB ALA 57 10.842 -1.333 11.246 400 HB2 ALA 57 1HB ALA 57 9.420 -0.524 10.587 401 HB3 ALA 57 2HB ALA 57 10.972 0.314 10.627 402 H ARG 58 H ARG 58 8.454 -1.876 8.501 403 HA ARG 58 HA ARG 58 8.966 -4.760 8.783 404 HB2 ARG 58 2HB ARG 58 6.506 -3.074 9.162 405 HB3 ARG 58 1HB ARG 58 6.369 -4.804 8.874 406 HG2 ARG 58 2HG ARG 58 8.275 -4.082 10.978 407 HG3 ARG 58 1HG ARG 58 6.601 -3.647 11.324 408 HD2 ARG 58 2HD ARG 58 5.890 -5.923 10.949 409 HD3 ARG 58 1HD ARG 58 7.517 -6.384 10.452 410 HE ARG 58 HE ARG 58 7.418 -5.277 13.096 411 HH11 ARG 58 1HH1 ARG 58 7.003 -8.250 11.271 412 HH12 ARG 58 2HH1 ARG 58 7.353 -9.266 12.630 413 HH21 ARG 58 1HH2 ARG 58 7.874 -6.627 14.858 414 HH22 ARG 58 2HH2 ARG 58 7.846 -8.347 14.658 415 H GLU 59 H GLU 59 9.126 -2.691 6.380 416 HA GLU 59 HA GLU 59 8.850 -2.677 4.121 417 HB2 GLU 59 2HB GLU 59 8.619 -5.646 4.633 418 HB3 GLU 59 1HB GLU 59 8.574 -4.970 3.011 419 HG2 GLU 59 2HG GLU 59 10.837 -4.215 4.783 420 HG3 GLU 59 1HG GLU 59 10.817 -5.840 4.090 421 H VAL 60 H VAL 60 6.712 -1.793 5.414 422 HA VAL 60 HA VAL 60 4.459 -2.672 3.739 423 HB VAL 60 HB VAL 60 3.925 -1.720 6.536 424 HG11 VAL 60 1HG1 VAL 60 2.419 -3.080 4.397 425 HG12 VAL 60 2HG1 VAL 60 1.886 -1.900 5.592 426 HG13 VAL 60 3HG1 VAL 60 2.071 -3.593 6.045 427 HG21 VAL 60 3HG2 VAL 60 4.873 -4.456 5.799 428 HG22 VAL 60 1HG2 VAL 60 3.698 -4.256 7.099 429 HG23 VAL 60 2HG2 VAL 60 5.275 -3.473 7.207 430 H CYS 61 H CYS 61 2.726 -0.974 3.608 431 HA CYS 61 HA CYS 61 3.396 1.763 4.284 432 HB2 CYS 61 2HB CYS 61 3.609 0.748 1.476 433 HB3 CYS 61 1HB CYS 61 2.959 2.363 1.751 434 HG CYS 61 HG CYS 61 5.226 3.524 1.948 435 H LEU 62 H LEU 62 1.645 3.131 4.209 436 HA LEU 62 HA LEU 62 -0.944 1.824 3.780 437 HB2 LEU 62 2HB LEU 62 -0.082 3.397 5.873 438 HB3 LEU 62 1HB LEU 62 -0.950 4.540 4.876 439 HG LEU 62 HG LEU 62 -2.518 3.801 6.465 440 HD11 LEU 62 1HD1 LEU 62 -3.003 3.388 3.788 441 HD12 LEU 62 2HD1 LEU 62 -4.214 3.401 5.069 442 HD13 LEU 62 3HD1 LEU 62 -3.523 1.872 4.526 443 HD21 LEU 62 3HD2 LEU 62 -1.337 1.107 5.997 444 HD22 LEU 62 1HD2 LEU 62 -2.991 1.241 6.596 445 HD23 LEU 62 2HD2 LEU 62 -1.661 1.950 7.512 446 H VAL 63 H VAL 63 -2.322 2.492 2.247 447 HA VAL 63 HA VAL 63 -1.633 4.884 0.713 448 HB VAL 63 HB VAL 63 -0.953 3.747 -1.077 449 HG11 VAL 63 1HG1 VAL 63 -1.515 1.365 0.615 450 HG12 VAL 63 2HG1 VAL 63 0.033 2.034 0.103 451 HG13 VAL 63 3HG1 VAL 63 -0.985 1.176 -1.053 452 HG21 VAL 63 3HG2 VAL 63 -3.310 3.794 -1.775 453 HG22 VAL 63 1HG2 VAL 63 -3.509 2.179 -1.094 454 HG23 VAL 63 2HG2 VAL 63 -2.404 2.436 -2.445 455 H GLN 64 H GLN 64 -3.268 5.957 -0.253 456 HA GLN 64 HA GLN 64 -5.981 5.272 0.605 457 HB2 GLN 64 2HB GLN 64 -4.826 7.642 0.802 458 HB3 GLN 64 1HB GLN 64 -5.278 7.791 -0.889 459 HG2 GLN 64 2HG GLN 64 -7.317 8.430 -0.286 460 HG3 GLN 64 1HG GLN 64 -7.565 6.884 0.527 461 HE21 GLN 64 1HE2 GLN 64 -7.860 10.032 0.985 462 HE22 GLN 64 2HE2 GLN 64 -7.527 10.158 2.676 463 H PHE 65 H PHE 65 -7.727 5.311 -1.053 464 HA PHE 65 HA PHE 65 -6.683 4.639 -3.715 465 HB2 PHE 65 2HB PHE 65 -8.995 3.328 -2.281 466 HB3 PHE 65 1HB PHE 65 -8.390 2.907 -3.886 467 HD1 PHE 65 2HD PHE 65 -7.500 2.961 -0.286 468 HD2 PHE 65 1HD PHE 65 -6.552 1.488 -4.140 469 HE1 PHE 65 2HE PHE 65 -5.867 1.427 0.715 470 HE2 PHE 65 1HE PHE 65 -4.912 -0.064 -3.152 471 HZ PHE 65 HZ PHE 65 -4.580 -0.099 -0.721 472 H GLU 66 H GLU 66 -8.584 4.455 -5.354 473 HA GLU 66 HA GLU 66 -9.457 7.038 -5.945 474 HB2 GLU 66 2HB GLU 66 -9.185 4.834 -7.386 475 HB3 GLU 66 1HB GLU 66 -10.917 4.721 -7.102 476 HG2 GLU 66 2HG GLU 66 -10.747 5.843 -9.136 477 HG3 GLU 66 1HG GLU 66 -11.032 7.128 -7.961 478 H ASP 67 H ASP 67 -11.288 4.306 -4.489 479 HA ASP 67 HA ASP 67 -13.603 6.087 -4.230 480 HB2 ASP 67 2HB ASP 67 -13.823 3.718 -5.094 481 HB3 ASP 67 1HB ASP 67 -13.451 3.166 -3.468 482 H ASP 68 H ASP 68 -11.357 6.793 -2.761 483 HA ASP 68 HA ASP 68 -10.528 7.329 -0.738 484 HB2 ASP 68 2HB ASP 68 -12.148 8.316 0.848 485 HB3 ASP 68 1HB ASP 68 -12.394 8.856 -0.804 486 H SER 69 H SER 69 -9.984 4.876 -0.771 487 HA SER 69 HA SER 69 -10.979 3.661 1.722 488 HB2 SER 69 2HB SER 69 -10.645 2.555 -0.872 489 HB3 SER 69 1HB SER 69 -9.430 1.796 0.164 490 HG SER 69 HG SER 69 -11.815 1.973 1.428 491 H GLN 70 H GLN 70 -9.552 2.930 3.250 492 HA GLN 70 HA GLN 70 -6.720 3.635 2.858 493 HB2 GLN 70 2HB GLN 70 -8.563 4.176 5.110 494 HB3 GLN 70 1HB GLN 70 -6.968 3.593 5.569 495 HG2 GLN 70 2HG GLN 70 -7.258 5.860 3.638 496 HG3 GLN 70 1HG GLN 70 -7.378 6.131 5.374 497 HE21 GLN 70 1HE2 GLN 70 -5.311 5.759 2.736 498 HE22 GLN 70 2HE2 GLN 70 -3.809 5.721 3.601 499 H PHE 71 H PHE 71 -5.905 1.753 2.254 500 HA PHE 71 HA PHE 71 -6.372 -0.584 3.984 501 HB2 PHE 71 2HB PHE 71 -6.521 -0.266 1.043 502 HB3 PHE 71 1HB PHE 71 -5.760 -1.735 1.602 503 HD1 PHE 71 1HD PHE 71 -8.313 -0.690 3.915 504 HD2 PHE 71 2HD PHE 71 -7.707 -2.594 0.155 505 HE1 PHE 71 1HE PHE 71 -10.527 -1.726 4.088 506 HE2 PHE 71 2HE PHE 71 -9.926 -3.638 0.331 507 HZ PHE 71 HZ PHE 71 -11.338 -3.203 2.296 508 H LEU 72 H LEU 72 -4.683 -1.430 4.893 509 HA LEU 72 HA LEU 72 -2.029 -0.441 4.449 510 HB2 LEU 72 2HB LEU 72 -3.008 -1.079 6.663 511 HB3 LEU 72 1HB LEU 72 -2.996 -2.755 6.149 512 HG LEU 72 HG LEU 72 -0.364 -1.516 5.931 513 HD11 LEU 72 1HD1 LEU 72 -1.810 -1.459 8.559 514 HD12 LEU 72 2HD1 LEU 72 -0.841 -0.198 7.799 515 HD13 LEU 72 3HD1 LEU 72 -0.058 -1.627 8.469 516 HD21 LEU 72 3HD2 LEU 72 0.202 -3.539 7.307 517 HD22 LEU 72 1HD2 LEU 72 -0.601 -3.875 5.775 518 HD23 LEU 72 2HD2 LEU 72 -1.510 -3.951 7.284 519 H VAL 73 H VAL 73 -0.824 -1.109 2.781 520 HA VAL 73 HA VAL 73 -1.058 -3.917 1.884 521 HB VAL 73 HB VAL 73 0.206 -1.984 0.030 522 HG11 VAL 73 1HG1 VAL 73 -0.240 -4.496 -0.294 523 HG12 VAL 73 2HG1 VAL 73 -0.582 -3.398 -1.629 524 HG13 VAL 73 3HG1 VAL 73 -1.900 -4.006 -0.626 525 HG21 VAL 73 3HG2 VAL 73 -1.907 -0.868 1.023 526 HG22 VAL 73 1HG2 VAL 73 -2.790 -2.061 0.073 527 HG23 VAL 73 2HG2 VAL 73 -1.717 -0.915 -0.728 528 H LEU 74 H LEU 74 0.736 -5.058 1.257 529 HA LEU 74 HA LEU 74 3.202 -4.360 2.638 530 HB2 LEU 74 2HB LEU 74 2.422 -6.868 1.130 531 HB3 LEU 74 1HB LEU 74 3.901 -6.662 2.036 532 HG LEU 74 HG LEU 74 2.560 -7.978 3.419 533 HD11 LEU 74 1HD1 LEU 74 2.340 -6.791 5.374 534 HD12 LEU 74 2HD1 LEU 74 1.776 -5.335 4.551 535 HD13 LEU 74 3HD1 LEU 74 3.474 -5.800 4.456 536 HD21 LEU 74 3HD2 LEU 74 0.469 -7.871 2.284 537 HD22 LEU 74 1HD2 LEU 74 0.254 -6.175 2.721 538 HD23 LEU 74 2HD2 LEU 74 0.193 -7.422 3.967 539 H TRP 75 H TRP 75 5.233 -4.238 1.615 540 HA TRP 75 HA TRP 75 5.320 -2.944 -0.875 541 HB2 TRP 75 2HB TRP 75 7.495 -4.267 0.737 542 HB3 TRP 75 1HB TRP 75 7.817 -3.385 -0.741 543 HD1 TRP 75 HD TRP 75 5.207 -1.888 1.601 544 HE1 TRP 75 1HE TRP 75 6.176 0.220 2.694 545 HE3 TRP 75 3HE TRP 75 10.096 -2.344 0.112 546 HZ2 TRP 75 2HZ TRP 75 8.668 1.510 2.926 547 HZ3 TRP 75 3HZ TRP 75 11.702 -0.625 0.830 548 HH2 TRP 75 HH TRP 75 10.997 1.264 2.211 549 H LYS 76 H LYS 76 5.053 -6.274 -0.207 550 HA LYS 76 HA LYS 76 6.269 -7.161 -2.698 551 HB2 LYS 76 2HB LYS 76 5.352 -9.438 -1.940 552 HB3 LYS 76 1HB LYS 76 6.643 -8.721 -0.995 553 HG2 LYS 76 2HG LYS 76 5.247 -8.265 0.804 554 HG3 LYS 76 1HG LYS 76 3.786 -8.337 -0.183 555 HD2 LYS 76 2HD LYS 76 3.831 -10.678 -0.284 556 HD3 LYS 76 1HD LYS 76 5.518 -10.754 0.225 557 HE2 LYS 76 2HE LYS 76 3.808 -9.440 2.183 558 HE3 LYS 76 1HE LYS 76 3.311 -11.100 1.852 559 HZ1 LYS 76 3HZ LYS 76 5.008 -10.743 3.677 560 HZ2 LYS 76 1HZ LYS 76 6.123 -10.406 2.451 561 HZ3 LYS 76 2HZ LYS 76 5.377 -11.922 2.522 562 H ASP 77 H ASP 77 3.078 -6.556 -1.399 563 HA ASP 77 HA ASP 77 1.729 -7.633 -3.750 564 HB2 ASP 77 2HB ASP 77 0.947 -6.842 -1.023 565 HB3 ASP 77 1HB ASP 77 -0.237 -6.462 -2.266 566 H ILE 78 H ILE 78 3.379 -4.925 -3.262 567 HA ILE 78 HA ILE 78 1.438 -3.131 -4.542 568 HB ILE 78 HB ILE 78 3.932 -2.507 -2.953 569 HG12 ILE 78 2HG1 ILE 78 1.102 -1.598 -2.428 570 HG13 ILE 78 1HG1 ILE 78 1.691 -3.153 -1.855 571 HG21 ILE 78 1HG2 ILE 78 4.110 -0.646 -4.215 572 HG22 ILE 78 2HG2 ILE 78 2.676 -0.098 -3.347 573 HG23 ILE 78 3HG2 ILE 78 2.511 -0.873 -4.925 574 HD11 ILE 78 3HD1 ILE 78 1.956 -0.612 -0.660 575 HD12 ILE 78 1HD1 ILE 78 3.566 -1.194 -1.081 576 HD13 ILE 78 2HD1 ILE 78 2.510 -2.180 -0.069 577 H SER 79 H SER 79 1.837 -2.156 -6.439 578 HA SER 79 HA SER 79 4.376 -2.658 -7.830 579 HB2 SER 79 2HB SER 79 1.977 -3.914 -8.499 580 HB3 SER 79 1HB SER 79 2.080 -2.572 -9.643 581 HG SER 79 HG SER 79 4.255 -3.339 -10.089 582 HA PRO 80 HA PRO 80 3.907 1.912 -7.863 583 HB2 PRO 80 2HB PRO 80 6.304 1.589 -9.618 584 HB3 PRO 80 1HB PRO 80 6.035 2.711 -8.279 585 HG2 PRO 80 2HG PRO 80 7.571 0.592 -7.919 586 HG3 PRO 80 1HG PRO 80 6.410 1.072 -6.663 587 HD2 PRO 80 2HD PRO 80 6.228 -1.151 -8.665 588 HD3 PRO 80 1HD PRO 80 5.746 -1.128 -6.955 589 H ALA 81 H ALA 81 2.471 2.846 -9.103 590 HA ALA 81 HA ALA 81 1.861 1.938 -11.756 591 HB1 ALA 81 3HB ALA 81 0.666 4.378 -10.487 592 HB2 ALA 81 1HB ALA 81 0.257 2.764 -9.905 593 HB3 ALA 81 2HB ALA 81 -0.079 3.210 -11.578 594 H ALA 82 H ALA 82 1.025 4.534 -12.818 595 HA ALA 82 HA ALA 82 1.701 6.303 -14.064 596 HB1 ALA 82 3HB ALA 82 4.219 6.160 -12.416 597 HB2 ALA 82 1HB ALA 82 2.853 7.257 -12.210 598 HB3 ALA 82 2HB ALA 82 3.899 7.405 -13.622 599 H LEU 83 H LEU 83 3.174 3.306 -14.184 600 HA LEU 83 HA LEU 83 4.335 2.102 -15.718 601 HB2 LEU 83 2HB LEU 83 3.001 4.117 -17.513 602 HB3 LEU 83 1HB LEU 83 3.962 2.793 -18.143 603 HG LEU 83 HG LEU 83 1.996 1.817 -16.262 604 HD11 LEU 83 1HD1 LEU 83 0.725 3.787 -16.948 605 HD12 LEU 83 2HD1 LEU 83 0.000 2.304 -17.568 606 HD13 LEU 83 3HD1 LEU 83 0.941 3.339 -18.641 607 HD21 LEU 83 3HD2 LEU 83 3.275 0.564 -18.033 608 HD22 LEU 83 1HD2 LEU 83 2.220 1.326 -19.223 609 HD23 LEU 83 2HD2 LEU 83 1.538 0.262 -17.993 610 HA ALA 331 HA ALA 331 -21.507 11.941 -14.003 611 HB1 ALA 331 3HB ALA 331 -19.518 11.816 -12.686 612 HB2 ALA 331 1HB ALA 331 -20.444 11.864 -11.185 613 HB3 ALA 331 2HB ALA 331 -20.380 13.286 -12.228 614 H THR 332 H THR 332 -20.686 9.904 -14.438 615 HA THR 332 HA THR 332 -21.775 7.693 -12.816 616 HB THR 332 HB THR 332 -21.235 7.038 -15.627 617 HG1 THR 332 1HG THR 332 -23.392 8.053 -16.158 618 HG21 THR 332 1HG2 THR 332 -23.801 6.700 -14.095 619 HG22 THR 332 2HG2 THR 332 -22.409 5.651 -13.822 620 HG23 THR 332 3HG2 THR 332 -23.168 5.715 -15.414 621 H GLY 333 H GLY 333 -20.306 6.382 -11.984 622 HA2 GLY 333 2HA GLY 333 -18.436 4.859 -12.392 623 HA3 GLY 333 1HA GLY 333 -17.682 6.143 -13.325 624 H GLY 334 H GLY 334 -18.080 4.728 -10.244 625 HA2 GLY 334 2HA GLY 334 -16.286 6.760 -9.077 626 HA3 GLY 334 1HA GLY 334 -17.688 6.190 -8.185 627 H VAL 335 H VAL 335 -15.185 4.561 -10.119 628 HA VAL 335 HA VAL 335 -14.345 3.067 -7.745 629 HB VAL 335 HB VAL 335 -16.066 1.757 -9.077 630 HG11 VAL 335 1HG1 VAL 335 -13.834 1.528 -11.090 631 HG12 VAL 335 2HG1 VAL 335 -15.403 2.297 -11.335 632 HG13 VAL 335 3HG1 VAL 335 -15.307 0.555 -11.080 633 HG21 VAL 335 3HG2 VAL 335 -13.344 0.543 -8.642 634 HG22 VAL 335 1HG2 VAL 335 -14.819 -0.381 -8.933 635 HG23 VAL 335 2HG2 VAL 335 -14.678 0.624 -7.491 636 H M3L 336 H M3L 336 -12.257 1.931 -8.062 637 HA M3L 336 HA M3L 336 -10.231 3.603 -9.005 638 HB2 M3L 336 1HB M3L 336 -8.716 1.677 -8.686 639 HB3 M3L 336 2HB M3L 336 -10.112 0.622 -8.528 640 HG2 M3L 336 1HG M3L 336 -10.778 2.177 -6.579 641 HG3 M3L 336 2HG M3L 336 -9.097 2.693 -6.631 642 HD2 M3L 336 1HD M3L 336 -8.693 0.962 -5.278 643 HD3 M3L 336 2HD M3L 336 -8.863 -0.026 -6.727 644 HE2 M3L 336 1HE M3L 336 -10.405 -1.114 -5.484 645 HE3 M3L 336 2HE M3L 336 -11.452 0.178 -6.035 646 HM11 M3L 336 1HM1 M3L 336 -9.202 1.131 -2.936 647 HM12 M3L 336 2HM1 M3L 336 -8.950 -0.472 -3.517 648 HM13 M3L 336 3HM1 M3L 336 -9.953 -0.203 -2.139 649 HM21 M3L 336 1HM2 M3L 336 -11.571 -1.551 -3.230 650 HM22 M3L 336 2HM2 M3L 336 -12.699 -0.774 -4.281 651 HM23 M3L 336 3HM2 M3L 336 -12.483 -0.193 -2.670 652 HM31 M3L 336 3HM3 M3L 336 -11.655 1.979 -2.879 653 HM32 M3L 336 1HM3 M3L 336 -12.212 1.913 -4.514 654 HM33 M3L 336 2HM3 M3L 336 -10.608 2.443 -4.171 655 H LYS 337 H LYS 337 -8.568 3.149 -10.648 656 HA LYS 337 HA LYS 337 -9.595 1.747 -13.017 657 HB2 LYS 337 2HB LYS 337 -8.601 3.642 -14.412 658 HB3 LYS 337 1HB LYS 337 -10.095 3.988 -13.562 659 HG2 LYS 337 2HG LYS 337 -7.539 4.694 -12.206 660 HG3 LYS 337 1HG LYS 337 -8.035 5.673 -13.585 661 HD2 LYS 337 2HD LYS 337 -10.267 5.235 -11.802 662 HD3 LYS 337 1HD LYS 337 -8.902 5.915 -10.914 663 HE2 LYS 337 2HE LYS 337 -8.763 7.605 -12.859 664 HE3 LYS 337 1HE LYS 337 -10.393 7.060 -13.257 665 HZ1 LYS 337 3HZ LYS 337 -10.913 7.574 -10.834 666 HZ2 LYS 337 1HZ LYS 337 -10.694 8.894 -11.871 667 HZ3 LYS 337 2HZ LYS 337 -9.457 8.434 -10.814 668 HA PRO 338 HA PRO 338 -4.996 0.832 -12.193 669 HB2 PRO 338 2HB PRO 338 -5.696 -1.813 -11.204 670 HB3 PRO 338 1HB PRO 338 -4.805 -0.529 -10.382 671 HG2 PRO 338 2HG PRO 338 -7.264 -1.307 -9.598 672 HG3 PRO 338 1HG PRO 338 -6.698 0.370 -9.466 673 HD2 PRO 338 2HD PRO 338 -8.408 -0.874 -11.613 674 HD3 PRO 338 1HD PRO 338 -8.689 0.627 -10.701 675 H HIS 339 H HIS 339 -4.031 -1.649 -12.585 676 HA HIS 339 HA HIS 339 -4.504 -2.145 -15.389 677 HB2 HIS 339 2HB HIS 339 -2.261 -2.388 -15.213 678 HB3 HIS 339 1HB HIS 339 -2.368 -2.438 -13.463 679 HD1 HIS 339 1HD HIS 339 -2.924 -4.917 -16.299 680 HD2 HIS 339 2HD HIS 339 -1.372 -4.666 -12.456 681 HE1 HIS 339 1HE HIS 339 -1.993 -7.190 -15.805 682 HE2 HIS 339 2HE HIS 339 -1.204 -7.065 -13.415 683 H ARG 340 H ARG 340 -4.963 -4.255 -16.256 684 HA ARG 340 HA ARG 340 -6.686 -5.832 -14.482 685 HB2 ARG 340 2HB ARG 340 -6.849 -5.002 -17.258 686 HB3 ARG 340 1HB ARG 340 -7.075 -6.737 -17.090 687 HG2 ARG 340 2HG ARG 340 -8.968 -6.482 -15.754 688 HG3 ARG 340 1HG ARG 340 -8.584 -4.803 -15.371 689 HD2 ARG 340 2HD ARG 340 -9.036 -5.523 -18.220 690 HD3 ARG 340 1HD ARG 340 -10.439 -5.441 -17.155 691 HE ARG 340 HE ARG 340 -8.598 -3.201 -17.696 692 HH11 ARG 340 1HH1 ARG 340 -11.776 -4.365 -16.750 693 HH12 ARG 340 2HH1 ARG 340 -12.471 -2.780 -16.717 694 HH21 ARG 340 1HH2 ARG 340 -9.533 -1.138 -17.644 695 HH22 ARG 340 2HH2 ARG 340 -11.203 -0.956 -17.222 696 H TYR 341 H TYR 341 -5.379 -7.261 -13.484 697 HA TYR 341 HA TYR 341 -3.613 -8.960 -15.100 698 HB2 TYR 341 2HB TYR 341 -2.861 -7.782 -12.926 699 HB3 TYR 341 1HB TYR 341 -3.814 -9.002 -12.091 700 HD1 TYR 341 1HD TYR 341 -0.878 -8.486 -14.293 701 HD2 TYR 341 2HD TYR 341 -3.001 -11.219 -11.818 702 HE1 TYR 341 1HE TYR 341 1.026 -10.036 -14.383 703 HE2 TYR 341 2HE TYR 341 -1.101 -12.776 -11.901 704 HH TYR 341 HH TYR 341 1.048 -12.949 -13.956 Start of MODEL 11 1 HA SER 5 HA SER 5 -5.553 -12.893 20.074 2 HB2 SER 5 2HB SER 5 -5.078 -14.484 22.506 3 HB3 SER 5 1HB SER 5 -5.538 -12.810 22.810 4 HG SER 5 HG SER 5 -7.102 -14.827 22.119 5 H ARG 6 H ARG 6 -2.517 -13.174 21.883 6 HA ARG 6 HA ARG 6 -2.128 -10.279 21.550 7 HB2 ARG 6 2HB ARG 6 -0.882 -10.340 23.784 8 HB3 ARG 6 1HB ARG 6 -2.634 -10.394 23.843 9 HG2 ARG 6 2HG ARG 6 -2.611 -12.740 24.338 10 HG3 ARG 6 1HG ARG 6 -0.871 -12.830 24.060 11 HD2 ARG 6 2HD ARG 6 -1.978 -10.976 26.132 12 HD3 ARG 6 1HD ARG 6 -1.776 -12.690 26.493 13 HE ARG 6 HE ARG 6 0.642 -12.136 25.611 14 HH11 ARG 6 1HH1 ARG 6 -1.344 -10.204 27.769 15 HH12 ARG 6 2HH1 ARG 6 0.017 -9.505 28.581 16 HH21 ARG 6 1HH2 ARG 6 2.408 -11.210 26.689 17 HH22 ARG 6 2HH2 ARG 6 2.138 -10.076 27.969 18 H LEU 7 H LEU 7 -0.154 -9.627 20.892 19 HA LEU 7 HA LEU 7 1.932 -11.686 20.607 20 HB2 LEU 7 2HB LEU 7 2.647 -10.433 18.527 21 HB3 LEU 7 1HB LEU 7 1.158 -11.346 18.410 22 HG LEU 7 HG LEU 7 0.818 -8.503 19.130 23 HD11 LEU 7 1HD1 LEU 7 2.592 -8.161 17.586 24 HD12 LEU 7 2HD1 LEU 7 1.086 -7.820 16.734 25 HD13 LEU 7 3HD1 LEU 7 1.926 -9.346 16.462 26 HD21 LEU 7 3HD2 LEU 7 -1.072 -8.675 17.702 27 HD22 LEU 7 1HD2 LEU 7 -1.002 -10.168 18.639 28 HD23 LEU 7 2HD2 LEU 7 -0.460 -10.153 16.960 29 H SER 8 H SER 8 3.482 -11.253 22.000 30 HA SER 8 HA SER 8 4.619 -8.551 22.095 31 HB2 SER 8 2HB SER 8 3.091 -9.662 24.193 32 HB3 SER 8 1HB SER 8 4.773 -9.747 24.713 33 HG SER 8 HG SER 8 4.284 -7.371 23.559 34 H ARG 9 H ARG 9 6.820 -8.454 22.597 35 HA ARG 9 HA ARG 9 8.233 -11.039 22.671 36 HB2 ARG 9 2HB ARG 9 8.715 -8.637 20.945 37 HB3 ARG 9 1HB ARG 9 10.066 -9.670 21.392 38 HG2 ARG 9 2HG ARG 9 7.705 -11.082 20.355 39 HG3 ARG 9 1HG ARG 9 8.531 -10.035 19.198 40 HD2 ARG 9 2HD ARG 9 10.635 -11.168 19.646 41 HD3 ARG 9 1HD ARG 9 9.851 -12.180 20.859 42 HE ARG 9 HE ARG 9 8.820 -12.290 18.130 43 HH11 ARG 9 1HH1 ARG 9 10.707 -13.853 20.646 44 HH12 ARG 9 2HH1 ARG 9 10.658 -15.405 19.879 45 HH21 ARG 9 1HH2 ARG 9 8.768 -14.331 17.145 46 HH22 ARG 9 2HH2 ARG 9 9.560 -15.674 17.898 47 H SER 10 H SER 10 9.435 -11.279 24.411 48 HA SER 10 HA SER 10 10.744 -8.947 25.629 49 HB2 SER 10 2HB SER 10 9.045 -11.000 27.052 50 HB3 SER 10 1HB SER 10 10.202 -9.970 27.896 51 HG SER 10 HG SER 10 7.910 -9.187 26.428 52 H GLY 11 H GLY 11 10.915 -12.158 24.551 53 HA2 GLY 11 2HA GLY 11 13.208 -12.896 26.195 54 HA3 GLY 11 1HA GLY 11 12.413 -13.908 25.001 55 H ALA 12 H ALA 12 12.525 -12.108 22.807 56 HA ALA 12 HA ALA 12 15.350 -12.382 22.112 57 HB1 ALA 12 3HB ALA 12 12.999 -11.717 20.344 58 HB2 ALA 12 1HB ALA 12 13.652 -13.334 20.608 59 HB3 ALA 12 2HB ALA 12 14.636 -12.104 19.813 60 H SER 13 H SER 13 16.678 -10.725 21.597 61 HA SER 13 HA SER 13 15.725 -8.019 22.188 62 HB2 SER 13 2HB SER 13 18.528 -9.142 21.982 63 HB3 SER 13 1HB SER 13 18.150 -7.456 22.335 64 HG SER 13 HG SER 13 17.730 -7.994 24.319 65 H SER 14 H SER 14 17.328 -9.891 19.657 66 HA SER 14 HA SER 14 17.402 -7.574 17.878 67 HB2 SER 14 2HB SER 14 18.574 -10.346 17.730 68 HB3 SER 14 1HB SER 14 18.533 -9.288 16.322 69 HG SER 14 HG SER 14 20.483 -9.025 17.416 70 H LEU 15 H LEU 15 16.136 -7.315 16.129 71 HA LEU 15 HA LEU 15 14.104 -9.382 15.592 72 HB2 LEU 15 2HB LEU 15 13.589 -6.927 16.560 73 HB3 LEU 15 1HB LEU 15 13.559 -6.566 14.845 74 HG LEU 15 HG LEU 15 11.968 -8.795 14.974 75 HD11 LEU 15 1HD1 LEU 15 10.443 -8.524 16.812 76 HD12 LEU 15 2HD1 LEU 15 11.337 -7.122 17.399 77 HD13 LEU 15 3HD1 LEU 15 12.077 -8.723 17.446 78 HD21 LEU 15 3HD2 LEU 15 11.200 -5.886 15.171 79 HD22 LEU 15 1HD2 LEU 15 10.098 -7.193 14.737 80 HD23 LEU 15 2HD2 LEU 15 11.472 -6.814 13.696 81 H TRP 16 H TRP 16 16.860 -8.377 14.347 82 HA TRP 16 HA TRP 16 15.949 -8.653 11.562 83 HB2 TRP 16 2HB TRP 16 17.099 -6.338 12.672 84 HB3 TRP 16 1HB TRP 16 18.376 -7.094 11.727 85 HD1 TRP 16 HD TRP 16 17.739 -7.568 9.058 86 HE1 TRP 16 1HE TRP 16 16.312 -6.142 7.462 87 HE3 TRP 16 3HE TRP 16 15.172 -4.780 12.508 88 HZ2 TRP 16 2HZ TRP 16 14.367 -4.112 7.633 89 HZ3 TRP 16 3HZ TRP 16 13.550 -3.118 11.700 90 HH2 TRP 16 HH TRP 16 13.157 -2.792 9.313 91 H ASP 17 H ASP 17 17.043 -10.068 10.354 92 HA ASP 17 HA ASP 17 19.548 -11.194 11.416 93 HB2 ASP 17 2HB ASP 17 17.200 -12.565 11.338 94 HB3 ASP 17 1HB ASP 17 17.875 -12.982 9.766 95 HA PRO 18 HA PRO 18 20.679 -9.565 7.259 96 HB2 PRO 18 2HB PRO 18 23.417 -10.111 8.227 97 HB3 PRO 18 1HB PRO 18 22.728 -8.613 7.593 98 HG2 PRO 18 2HG PRO 18 23.287 -8.883 10.192 99 HG3 PRO 18 1HG PRO 18 21.855 -7.989 9.645 100 HD2 PRO 18 2HD PRO 18 22.046 -10.780 10.730 101 HD3 PRO 18 1HD PRO 18 20.852 -9.511 11.080 102 H ALA 19 H ALA 19 20.400 -10.940 5.651 103 HA ALA 19 HA ALA 19 21.811 -13.525 5.669 104 HB1 ALA 19 3HB ALA 19 20.099 -14.393 4.253 105 HB2 ALA 19 1HB ALA 19 19.410 -12.789 4.008 106 HB3 ALA 19 2HB ALA 19 19.312 -13.558 5.592 107 H SER 20 H SER 20 21.550 -10.505 4.050 108 HA SER 20 HA SER 20 23.288 -11.476 1.881 109 HB2 SER 20 2HB SER 20 21.089 -9.406 1.813 110 HB3 SER 20 1HB SER 20 22.314 -9.525 0.549 111 HG SER 20 HG SER 20 20.135 -11.108 1.034 112 HA PRO 21 HA PRO 21 26.309 -8.434 3.157 113 HB2 PRO 21 2HB PRO 21 26.835 -7.586 0.391 114 HB3 PRO 21 1HB PRO 21 27.901 -8.416 1.527 115 HG2 PRO 21 2HG PRO 21 26.882 -9.671 -0.614 116 HG3 PRO 21 1HG PRO 21 27.125 -10.511 0.929 117 HD2 PRO 21 2HD PRO 21 24.600 -9.377 -0.233 118 HD3 PRO 21 1HD PRO 21 24.868 -10.940 0.568 119 H ALA 22 H ALA 22 24.121 -7.250 0.619 120 HA ALA 22 HA ALA 22 24.054 -4.632 1.968 121 HB1 ALA 22 3HB ALA 22 23.780 -3.562 -0.239 122 HB2 ALA 22 1HB ALA 22 24.043 -5.129 -1.007 123 HB3 ALA 22 2HB ALA 22 25.335 -4.377 -0.070 124 HA PRO 23 HA PRO 23 19.673 -5.631 2.017 125 HB2 PRO 23 2HB PRO 23 18.735 -3.370 3.177 126 HB3 PRO 23 1HB PRO 23 19.590 -4.623 4.083 127 HG2 PRO 23 2HG PRO 23 20.601 -2.006 3.051 128 HG3 PRO 23 1HG PRO 23 20.941 -2.809 4.594 129 HD2 PRO 23 2HD PRO 23 22.644 -2.843 2.444 130 HD3 PRO 23 1HD PRO 23 22.600 -4.104 3.690 131 H THR 24 H THR 24 20.327 -2.204 1.162 132 HA THR 24 HA THR 24 19.483 -0.791 -0.402 133 HB THR 24 HB THR 24 18.878 -2.788 -2.465 134 HG1 THR 24 1HG THR 24 20.803 -3.506 -0.923 135 HG21 THR 24 1HG2 THR 24 19.235 -0.380 -2.883 136 HG22 THR 24 2HG2 THR 24 20.366 -1.392 -3.783 137 HG23 THR 24 3HG2 THR 24 20.902 -0.549 -2.330 138 H SER 25 H SER 25 17.592 0.059 0.185 139 HA SER 25 HA SER 25 15.136 -1.341 -0.633 140 HB2 SER 25 2HB SER 25 14.031 -0.304 1.408 141 HB3 SER 25 1HB SER 25 15.172 -1.609 1.736 142 HG SER 25 HG SER 25 16.699 0.380 1.860 143 H GLY 26 H GLY 26 16.533 1.811 0.293 144 HA2 GLY 26 2HA GLY 26 16.377 3.765 -1.043 145 HA3 GLY 26 1HA GLY 26 14.988 3.066 -1.857 146 HA PRO 27 HA PRO 27 13.695 5.159 2.458 147 HB2 PRO 27 2HB PRO 27 15.206 7.669 2.023 148 HB3 PRO 27 1HB PRO 27 14.946 6.759 3.514 149 HG2 PRO 27 2HG PRO 27 17.323 6.753 2.311 150 HG3 PRO 27 1HG PRO 27 16.681 5.283 3.069 151 HD2 PRO 27 2HD PRO 27 16.759 6.041 0.168 152 HD3 PRO 27 1HD PRO 27 17.108 4.476 0.936 153 H ARG 28 H ARG 28 14.454 6.965 -0.502 154 HA ARG 28 HA ARG 28 11.875 8.341 -0.340 155 HB2 ARG 28 2HB ARG 28 14.355 9.305 -1.013 156 HB3 ARG 28 1HB ARG 28 13.631 9.032 -2.590 157 HG2 ARG 28 2HG ARG 28 12.914 11.154 -2.259 158 HG3 ARG 28 1HG ARG 28 11.593 10.309 -1.456 159 HD2 ARG 28 2HD ARG 28 14.039 11.247 0.029 160 HD3 ARG 28 1HD ARG 28 12.640 12.286 -0.229 161 HE ARG 28 HE ARG 28 11.649 9.955 0.854 162 HH11 ARG 28 1HH1 ARG 28 13.921 12.426 1.890 163 HH12 ARG 28 2HH1 ARG 28 13.572 12.203 3.572 164 HH21 ARG 28 1HH2 ARG 28 11.209 9.682 3.062 165 HH22 ARG 28 2HH2 ARG 28 12.038 10.651 4.233 166 HA PRO 29 HA PRO 29 11.572 6.185 -4.662 167 HB2 PRO 29 2HB PRO 29 13.628 4.120 -4.813 168 HB3 PRO 29 1HB PRO 29 13.313 5.452 -5.927 169 HG2 PRO 29 2HG PRO 29 15.527 5.356 -4.380 170 HG3 PRO 29 1HG PRO 29 14.745 6.885 -4.827 171 HD2 PRO 29 2HD PRO 29 14.516 5.320 -2.273 172 HD3 PRO 29 1HD PRO 29 14.762 7.065 -2.499 173 H ARG 30 H ARG 30 10.781 4.033 -5.424 174 HA ARG 30 HA ARG 30 9.685 2.067 -5.221 175 HB2 ARG 30 2HB ARG 30 11.509 1.818 -2.871 176 HB3 ARG 30 1HB ARG 30 10.159 0.701 -3.008 177 HG2 ARG 30 2HG ARG 30 10.966 0.103 -5.284 178 HG3 ARG 30 1HG ARG 30 12.386 1.111 -4.990 179 HD2 ARG 30 2HD ARG 30 12.793 -0.293 -2.927 180 HD3 ARG 30 1HD ARG 30 11.550 -1.387 -3.534 181 HE ARG 30 HE ARG 30 14.053 -0.780 -4.975 182 HH11 ARG 30 1HH1 ARG 30 11.531 -3.057 -4.074 183 HH12 ARG 30 2HH1 ARG 30 12.247 -4.367 -4.952 184 HH21 ARG 30 1HH2 ARG 30 14.966 -2.511 -6.116 185 HH22 ARG 30 2HH2 ARG 30 14.187 -4.058 -6.104 186 H LEU 31 H LEU 31 9.727 3.826 -2.118 187 HA LEU 31 HA LEU 31 6.815 3.887 -2.114 188 HB2 LEU 31 2HB LEU 31 8.442 2.305 -0.201 189 HB3 LEU 31 1HB LEU 31 7.173 3.279 0.502 190 HG LEU 31 HG LEU 31 6.092 1.265 0.252 191 HD11 LEU 31 1HD1 LEU 31 4.439 1.458 -1.350 192 HD12 LEU 31 2HD1 LEU 31 5.513 2.210 -2.526 193 HD13 LEU 31 3HD1 LEU 31 4.977 3.119 -1.111 194 HD21 LEU 31 3HD2 LEU 31 6.343 -0.129 -1.878 195 HD22 LEU 31 1HD2 LEU 31 7.672 -0.117 -0.720 196 HD23 LEU 31 2HD2 LEU 31 7.771 0.859 -2.186 197 H TRP 32 H TRP 32 6.322 5.928 -1.872 198 HA TRP 32 HA TRP 32 7.450 7.504 0.289 199 HB2 TRP 32 2HB TRP 32 8.116 9.399 -1.128 200 HB3 TRP 32 1HB TRP 32 9.039 7.965 -1.539 201 HD1 TRP 32 HD TRP 32 7.981 6.613 -3.834 202 HE1 TRP 32 1HE TRP 32 7.188 7.692 -6.026 203 HE3 TRP 32 3HE TRP 32 7.177 11.391 -2.169 204 HZ2 TRP 32 2HZ TRP 32 6.343 10.220 -6.942 205 HZ3 TRP 32 3HZ TRP 32 6.379 13.076 -3.774 206 HH2 TRP 32 HH TRP 32 5.972 12.501 -6.111 207 H GLU 33 H GLU 33 6.270 9.584 0.593 208 HA GLU 33 HA GLU 33 3.472 9.198 0.470 209 HB2 GLU 33 2HB GLU 33 5.240 11.483 1.263 210 HB3 GLU 33 1HB GLU 33 3.505 11.733 1.125 211 HG2 GLU 33 2HG GLU 33 3.084 10.031 2.778 212 HG3 GLU 33 1HG GLU 33 4.801 9.641 2.856 213 H GLY 34 H GLY 34 2.192 9.363 -1.220 214 HA2 GLY 34 2HA GLY 34 1.072 10.568 -2.916 215 HA3 GLY 34 1HA GLY 34 2.485 11.594 -3.099 216 H GLN 35 H GLN 35 2.675 8.106 -2.944 217 HA GLN 35 HA GLN 35 3.659 8.067 -5.708 218 HB2 GLN 35 2HB GLN 35 5.363 7.154 -4.429 219 HB3 GLN 35 1HB GLN 35 4.258 6.506 -3.227 220 HG2 GLN 35 2HG GLN 35 4.560 4.486 -4.117 221 HG3 GLN 35 1HG GLN 35 3.765 5.058 -5.587 222 HE21 GLN 35 1HE2 GLN 35 6.082 3.229 -4.895 223 HE22 GLN 35 2HE2 GLN 35 7.343 3.727 -5.955 224 H ASP 36 H ASP 36 2.321 7.314 -7.231 225 HA ASP 36 HA ASP 36 -0.147 6.019 -6.586 226 HB2 ASP 36 2HB ASP 36 1.249 6.498 -9.220 227 HB3 ASP 36 1HB ASP 36 -0.291 5.664 -9.104 228 H VAL 37 H VAL 37 -0.235 4.062 -5.857 229 HA VAL 37 HA VAL 37 1.700 2.059 -6.800 230 HB VAL 37 HB VAL 37 1.201 0.874 -4.648 231 HG11 VAL 37 1HG1 VAL 37 3.238 2.140 -4.930 232 HG12 VAL 37 2HG1 VAL 37 2.640 2.319 -3.281 233 HG13 VAL 37 3HG1 VAL 37 2.411 3.620 -4.448 234 HG21 VAL 37 3HG2 VAL 37 0.004 1.817 -2.892 235 HG22 VAL 37 1HG2 VAL 37 -0.972 2.255 -4.292 236 HG23 VAL 37 2HG2 VAL 37 0.101 3.446 -3.560 237 H LEU 38 H LEU 38 0.989 -0.181 -6.583 238 HA LEU 38 HA LEU 38 -1.837 -0.545 -7.293 239 HB2 LEU 38 2HB LEU 38 0.613 -1.910 -8.386 240 HB3 LEU 38 1HB LEU 38 -1.016 -2.497 -8.663 241 HG LEU 38 HG LEU 38 -0.093 0.259 -9.470 242 HD11 LEU 38 1HD1 LEU 38 1.233 -0.922 -10.882 243 HD12 LEU 38 2HD1 LEU 38 -0.267 -0.969 -11.809 244 HD13 LEU 38 3HD1 LEU 38 0.207 -2.356 -10.829 245 HD21 LEU 38 3HD2 LEU 38 -2.613 -1.124 -9.457 246 HD22 LEU 38 1HD2 LEU 38 -2.156 -0.670 -11.099 247 HD23 LEU 38 2HD2 LEU 38 -2.260 0.559 -9.840 248 H ALA 39 H ALA 39 -2.661 -1.179 -5.481 249 HA ALA 39 HA ALA 39 -1.310 -3.101 -3.756 250 HB1 ALA 39 3HB ALA 39 -2.589 -2.257 -2.070 251 HB2 ALA 39 1HB ALA 39 -4.006 -2.056 -3.090 252 HB3 ALA 39 2HB ALA 39 -2.696 -0.878 -3.159 253 H ARG 40 H ARG 40 -1.539 -5.134 -4.420 254 HA ARG 40 HA ARG 40 -3.720 -6.115 -5.964 255 HB2 ARG 40 2HB ARG 40 -1.158 -6.935 -5.452 256 HB3 ARG 40 1HB ARG 40 -2.091 -8.074 -4.504 257 HG2 ARG 40 2HG ARG 40 -2.990 -9.092 -6.333 258 HG3 ARG 40 1HG ARG 40 -2.946 -7.623 -7.308 259 HD2 ARG 40 2HD ARG 40 -0.694 -7.884 -7.828 260 HD3 ARG 40 1HD ARG 40 -0.412 -8.976 -6.473 261 HE ARG 40 HE ARG 40 -1.466 -10.718 -7.706 262 HH11 ARG 40 1HH1 ARG 40 -0.993 -7.798 -9.599 263 HH12 ARG 40 2HH1 ARG 40 -1.163 -8.616 -11.115 264 HH21 ARG 40 1HH2 ARG 40 -1.684 -11.769 -9.703 265 HH22 ARG 40 2HH2 ARG 40 -1.555 -10.862 -11.174 266 H TRP 41 H TRP 41 -5.588 -7.002 -5.359 267 HA TRP 41 HA TRP 41 -6.184 -7.228 -2.515 268 HB2 TRP 41 2HB TRP 41 -7.688 -5.966 -4.066 269 HB3 TRP 41 1HB TRP 41 -8.076 -7.478 -4.875 270 HD1 TRP 41 HD TRP 41 -10.304 -8.423 -4.105 271 HE1 TRP 41 1HE TRP 41 -11.714 -8.385 -1.955 272 HE3 TRP 41 3HE TRP 41 -7.180 -5.672 -1.120 273 HZ2 TRP 41 2HZ TRP 41 -11.535 -7.329 0.653 274 HZ3 TRP 41 3HZ TRP 41 -7.882 -5.194 1.188 275 HH2 TRP 41 HH TRP 41 -10.014 -6.004 2.054 276 H THR 42 H THR 42 -7.414 -9.087 -1.703 277 HA THR 42 HA THR 42 -6.077 -11.528 -2.333 278 HB THR 42 HB THR 42 -6.593 -11.043 -0.029 279 HG1 THR 42 1HG THR 42 -8.197 -13.246 -0.852 280 HG21 THR 42 1HG2 THR 42 -8.939 -11.182 0.828 281 HG22 THR 42 2HG2 THR 42 -9.504 -11.137 -0.843 282 HG23 THR 42 3HG2 THR 42 -8.627 -9.763 -0.172 283 H ASP 43 H ASP 43 -8.738 -10.157 -3.824 284 HA ASP 43 HA ASP 43 -10.047 -12.710 -4.396 285 HB2 ASP 43 2HB ASP 43 -11.231 -10.424 -3.859 286 HB3 ASP 43 1HB ASP 43 -10.964 -10.111 -5.575 287 H GLY 44 H GLY 44 -7.453 -11.129 -5.579 288 HA2 GLY 44 2HA GLY 44 -6.239 -11.921 -7.463 289 HA3 GLY 44 1HA GLY 44 -7.758 -12.370 -8.219 290 H LEU 45 H LEU 45 -8.592 -9.492 -7.177 291 HA LEU 45 HA LEU 45 -7.903 -8.178 -9.682 292 HB2 LEU 45 2HB LEU 45 -9.872 -7.554 -7.494 293 HB3 LEU 45 1HB LEU 45 -9.544 -6.438 -8.812 294 HG LEU 45 HG LEU 45 -10.165 -9.106 -9.785 295 HD11 LEU 45 1HD1 LEU 45 -12.602 -8.918 -9.220 296 HD12 LEU 45 2HD1 LEU 45 -12.157 -7.709 -8.015 297 HD13 LEU 45 3HD1 LEU 45 -11.550 -9.360 -7.875 298 HD21 LEU 45 3HD2 LEU 45 -11.458 -6.416 -10.203 299 HD22 LEU 45 1HD2 LEU 45 -11.701 -7.856 -11.192 300 HD23 LEU 45 2HD2 LEU 45 -10.120 -7.072 -11.148 301 H LEU 46 H LEU 46 -6.907 -6.199 -9.850 302 HA LEU 46 HA LEU 46 -5.087 -5.493 -7.701 303 HB2 LEU 46 2HB LEU 46 -4.370 -5.731 -10.105 304 HB3 LEU 46 1HB LEU 46 -5.369 -4.338 -10.477 305 HG LEU 46 HG LEU 46 -3.909 -2.992 -8.944 306 HD11 LEU 46 1HD1 LEU 46 -2.387 -3.987 -7.668 307 HD12 LEU 46 2HD1 LEU 46 -1.585 -4.614 -9.111 308 HD13 LEU 46 3HD1 LEU 46 -2.851 -5.554 -8.327 309 HD21 LEU 46 3HD2 LEU 46 -3.378 -2.509 -11.061 310 HD22 LEU 46 1HD2 LEU 46 -3.250 -4.197 -11.531 311 HD23 LEU 46 2HD2 LEU 46 -1.910 -3.408 -10.700 312 H TYR 47 H TYR 47 -4.755 -3.211 -7.121 313 HA TYR 47 HA TYR 47 -7.143 -1.506 -7.330 314 HB2 TYR 47 2HB TYR 47 -5.676 -2.228 -4.776 315 HB3 TYR 47 1HB TYR 47 -6.743 -0.842 -4.910 316 HD1 TYR 47 1HD TYR 47 -8.471 -3.189 -6.790 317 HD2 TYR 47 2HD TYR 47 -7.291 -2.470 -2.765 318 HE1 TYR 47 1HE TYR 47 -10.356 -4.541 -6.003 319 HE2 TYR 47 2HE TYR 47 -9.172 -3.833 -1.973 320 HH TYR 47 HH TYR 47 -10.611 -5.890 -3.214 321 H LEU 48 H LEU 48 -6.638 0.600 -7.728 322 HA LEU 48 HA LEU 48 -3.798 1.321 -7.746 323 HB2 LEU 48 2HB LEU 48 -4.967 1.632 -9.860 324 HB3 LEU 48 1HB LEU 48 -6.184 2.623 -9.078 325 HG LEU 48 HG LEU 48 -4.250 4.244 -8.541 326 HD11 LEU 48 1HD1 LEU 48 -2.946 2.623 -10.724 327 HD12 LEU 48 2HD1 LEU 48 -2.395 2.764 -9.054 328 HD13 LEU 48 3HD1 LEU 48 -2.371 4.175 -10.113 329 HD21 LEU 48 3HD2 LEU 48 -6.020 4.689 -10.168 330 HD22 LEU 48 1HD2 LEU 48 -5.098 3.833 -11.404 331 HD23 LEU 48 2HD2 LEU 48 -4.466 5.325 -10.709 332 H GLY 49 H GLY 49 -2.961 2.857 -6.475 333 HA2 GLY 49 2HA GLY 49 -4.708 4.676 -5.006 334 HA3 GLY 49 1HA GLY 49 -3.830 3.513 -4.040 335 H THR 50 H THR 50 -3.322 5.863 -3.271 336 HA THR 50 HA THR 50 -0.652 6.505 -4.323 337 HB THR 50 HB THR 50 -1.896 8.844 -3.138 338 HG1 THR 50 1HG THR 50 -3.761 7.800 -4.219 339 HG21 THR 50 1HG2 THR 50 -0.742 8.330 -5.885 340 HG22 THR 50 2HG2 THR 50 0.181 8.816 -4.463 341 HG23 THR 50 3HG2 THR 50 -1.019 9.909 -5.151 342 H ILE 51 H ILE 51 0.867 6.613 -2.830 343 HA ILE 51 HA ILE 51 0.399 5.590 -0.263 344 HB ILE 51 HB ILE 51 2.869 6.931 -1.360 345 HG12 ILE 51 2HG1 ILE 51 2.070 4.943 -2.609 346 HG13 ILE 51 1HG1 ILE 51 3.637 4.680 -1.864 347 HG21 ILE 51 1HG2 ILE 51 2.338 5.789 1.295 348 HG22 ILE 51 2HG2 ILE 51 3.620 6.881 0.771 349 HG23 ILE 51 3HG2 ILE 51 3.777 5.146 0.507 350 HD11 ILE 51 3HD1 ILE 51 2.804 2.802 -1.009 351 HD12 ILE 51 1HD1 ILE 51 1.185 3.218 -1.548 352 HD13 ILE 51 2HD1 ILE 51 1.768 3.788 0.013 353 H LYS 52 H LYS 52 -0.401 6.456 1.424 354 HA LYS 52 HA LYS 52 -0.257 9.345 1.873 355 HB2 LYS 52 2HB LYS 52 -2.322 7.586 2.190 356 HB3 LYS 52 1HB LYS 52 -1.692 7.672 3.830 357 HG2 LYS 52 2HG LYS 52 -1.983 10.065 3.863 358 HG3 LYS 52 1HG LYS 52 -2.492 10.057 2.173 359 HD2 LYS 52 2HD LYS 52 -4.523 9.012 2.667 360 HD3 LYS 52 1HD LYS 52 -3.952 8.443 4.237 361 HE2 LYS 52 2HE LYS 52 -4.170 11.374 3.669 362 HE3 LYS 52 1HE LYS 52 -5.597 10.447 4.132 363 HZ1 LYS 52 3HZ LYS 52 -3.724 11.546 5.818 364 HZ2 LYS 52 1HZ LYS 52 -3.409 9.883 5.855 365 HZ3 LYS 52 2HZ LYS 52 -4.952 10.462 6.239 366 H LYS 53 H LYS 53 0.811 6.271 3.210 367 HA LYS 53 HA LYS 53 2.681 7.687 4.962 368 HB2 LYS 53 2HB LYS 53 0.416 6.637 6.026 369 HB3 LYS 53 1HB LYS 53 1.473 5.238 6.093 370 HG2 LYS 53 2HG LYS 53 2.927 7.458 7.104 371 HG3 LYS 53 1HG LYS 53 1.343 7.441 7.879 372 HD2 LYS 53 2HD LYS 53 3.112 5.004 7.687 373 HD3 LYS 53 1HD LYS 53 3.164 6.128 9.044 374 HE2 LYS 53 2HE LYS 53 0.970 5.595 9.711 375 HE3 LYS 53 1HE LYS 53 0.601 4.832 8.158 376 HZ1 LYS 53 3HZ LYS 53 1.262 2.897 8.977 377 HZ2 LYS 53 1HZ LYS 53 1.542 3.615 10.483 378 HZ3 LYS 53 2HZ LYS 53 2.791 3.518 9.347 379 H VAL 54 H VAL 54 4.426 6.225 5.741 380 HA VAL 54 HA VAL 54 4.873 3.872 4.052 381 HB VAL 54 HB VAL 54 6.835 6.171 4.309 382 HG11 VAL 54 1HG1 VAL 54 7.398 3.656 2.771 383 HG12 VAL 54 2HG1 VAL 54 7.836 3.799 4.473 384 HG13 VAL 54 3HG1 VAL 54 8.521 4.913 3.289 385 HG21 VAL 54 3HG2 VAL 54 4.858 5.836 2.473 386 HG22 VAL 54 1HG2 VAL 54 6.209 5.038 1.671 387 HG23 VAL 54 2HG2 VAL 54 6.354 6.721 2.176 388 H ASP 55 H ASP 55 5.784 2.219 5.044 389 HA ASP 55 HA ASP 55 7.009 2.600 7.694 390 HB2 ASP 55 2HB ASP 55 4.776 0.861 6.867 391 HB3 ASP 55 1HB ASP 55 6.045 0.017 7.757 392 H SER 56 H SER 56 9.051 2.691 6.661 393 HA SER 56 HA SER 56 10.016 0.569 4.994 394 HB2 SER 56 2HB SER 56 12.217 1.773 5.243 395 HB3 SER 56 1HB SER 56 10.895 2.762 4.621 396 HG SER 56 HG SER 56 10.926 2.895 7.295 397 H ALA 57 H ALA 57 9.432 0.542 8.221 398 HA ALA 57 HA ALA 57 11.836 -0.883 9.046 399 HB1 ALA 57 3HB ALA 57 11.049 -0.712 11.255 400 HB2 ALA 57 1HB ALA 57 9.391 -0.419 10.729 401 HB3 ALA 57 2HB ALA 57 10.624 0.819 10.490 402 H ARG 58 H ARG 58 8.375 -1.523 8.590 403 HA ARG 58 HA ARG 58 8.887 -4.402 8.924 404 HB2 ARG 58 2HB ARG 58 6.641 -2.636 9.630 405 HB3 ARG 58 1HB ARG 58 6.160 -4.159 8.898 406 HG2 ARG 58 2HG ARG 58 8.160 -4.291 11.079 407 HG3 ARG 58 1HG ARG 58 6.506 -3.869 11.522 408 HD2 ARG 58 2HD ARG 58 5.666 -5.913 10.876 409 HD3 ARG 58 1HD ARG 58 6.961 -6.195 9.713 410 HE ARG 58 HE ARG 58 7.231 -6.482 12.636 411 HH11 ARG 58 1HH1 ARG 58 8.249 -7.353 9.386 412 HH12 ARG 58 2HH1 ARG 58 9.359 -8.562 9.938 413 HH21 ARG 58 1HH2 ARG 58 8.690 -8.070 13.330 414 HH22 ARG 58 2HH2 ARG 58 9.607 -8.968 12.166 415 H GLU 59 H GLU 59 9.023 -2.418 6.475 416 HA GLU 59 HA GLU 59 8.703 -2.466 4.225 417 HB2 GLU 59 2HB GLU 59 8.401 -5.411 4.825 418 HB3 GLU 59 1HB GLU 59 8.350 -4.778 3.187 419 HG2 GLU 59 2HG GLU 59 10.659 -4.041 4.907 420 HG3 GLU 59 1HG GLU 59 10.584 -5.681 4.254 421 H VAL 60 H VAL 60 6.614 -1.470 5.501 422 HA VAL 60 HA VAL 60 4.304 -2.372 3.911 423 HB VAL 60 HB VAL 60 3.815 -1.200 6.622 424 HG11 VAL 60 1HG1 VAL 60 1.850 -2.832 6.449 425 HG12 VAL 60 2HG1 VAL 60 2.316 -2.994 4.758 426 HG13 VAL 60 3HG1 VAL 60 1.854 -1.419 5.395 427 HG21 VAL 60 3HG2 VAL 60 4.139 -3.097 7.857 428 HG22 VAL 60 1HG2 VAL 60 5.426 -3.306 6.670 429 HG23 VAL 60 2HG2 VAL 60 3.900 -4.167 6.477 430 H CYS 61 H CYS 61 2.645 -0.648 3.656 431 HA CYS 61 HA CYS 61 3.375 2.098 4.194 432 HB2 CYS 61 2HB CYS 61 3.584 0.951 1.438 433 HB3 CYS 61 1HB CYS 61 2.956 2.584 1.630 434 HG CYS 61 HG CYS 61 5.798 2.023 3.308 435 H LEU 62 H LEU 62 1.633 3.437 4.201 436 HA LEU 62 HA LEU 62 -0.971 2.174 3.780 437 HB2 LEU 62 2HB LEU 62 -0.083 3.796 5.802 438 HB3 LEU 62 1HB LEU 62 -0.895 4.945 4.764 439 HG LEU 62 HG LEU 62 -2.527 4.352 6.323 440 HD11 LEU 62 1HD1 LEU 62 -4.263 3.652 5.043 441 HD12 LEU 62 2HD1 LEU 62 -3.379 2.272 4.394 442 HD13 LEU 62 3HD1 LEU 62 -3.082 3.888 3.755 443 HD21 LEU 62 3HD2 LEU 62 -1.491 2.554 7.452 444 HD22 LEU 62 1HD2 LEU 62 -1.572 1.520 6.026 445 HD23 LEU 62 2HD2 LEU 62 -3.051 1.964 6.880 446 H VAL 63 H VAL 63 -2.341 2.787 2.207 447 HA VAL 63 HA VAL 63 -1.611 5.096 0.569 448 HB VAL 63 HB VAL 63 -0.940 3.860 -1.161 449 HG11 VAL 63 1HG1 VAL 63 -1.596 1.558 0.611 450 HG12 VAL 63 2HG1 VAL 63 -0.020 2.172 0.117 451 HG13 VAL 63 3HG1 VAL 63 -1.030 1.303 -1.037 452 HG21 VAL 63 3HG2 VAL 63 -2.416 2.561 -2.494 453 HG22 VAL 63 1HG2 VAL 63 -3.307 3.943 -1.856 454 HG23 VAL 63 2HG2 VAL 63 -3.527 2.347 -1.141 455 H GLN 64 H GLN 64 -3.224 6.159 -0.437 456 HA GLN 64 HA GLN 64 -5.938 5.571 0.473 457 HB2 GLN 64 2HB GLN 64 -4.786 7.912 0.595 458 HB3 GLN 64 1HB GLN 64 -5.131 8.003 -1.126 459 HG2 GLN 64 2HG GLN 64 -7.231 8.627 -0.724 460 HG3 GLN 64 1HG GLN 64 -7.500 7.214 0.299 461 HE21 GLN 64 1HE2 GLN 64 -8.073 7.659 2.289 462 HE22 GLN 64 2HE2 GLN 64 -7.669 9.084 3.180 463 H PHE 65 H PHE 65 -7.586 5.080 -0.973 464 HA PHE 65 HA PHE 65 -6.683 4.413 -3.676 465 HB2 PHE 65 2HB PHE 65 -8.819 3.215 -1.916 466 HB3 PHE 65 1HB PHE 65 -8.582 2.762 -3.609 467 HD1 PHE 65 2HD PHE 65 -7.003 2.756 -0.256 468 HD2 PHE 65 1HD PHE 65 -6.812 1.378 -4.255 469 HE1 PHE 65 2HE PHE 65 -5.214 1.185 0.378 470 HE2 PHE 65 1HE PHE 65 -5.023 -0.185 -3.643 471 HZ PHE 65 HZ PHE 65 -4.239 -0.295 -1.328 472 H GLU 66 H GLU 66 -8.315 4.406 -5.394 473 HA GLU 66 HA GLU 66 -9.293 6.927 -5.960 474 HB2 GLU 66 2HB GLU 66 -8.963 4.642 -7.360 475 HB3 GLU 66 1HB GLU 66 -10.719 4.709 -7.264 476 HG2 GLU 66 2HG GLU 66 -10.253 5.809 -9.243 477 HG3 GLU 66 1HG GLU 66 -10.471 7.126 -8.091 478 H ASP 67 H ASP 67 -11.105 4.143 -4.602 479 HA ASP 67 HA ASP 67 -13.535 5.747 -4.532 480 HB2 ASP 67 2HB ASP 67 -13.547 3.349 -5.191 481 HB3 ASP 67 1HB ASP 67 -13.074 2.918 -3.554 482 H ASP 68 H ASP 68 -11.289 6.659 -2.958 483 HA ASP 68 HA ASP 68 -10.716 7.505 -0.944 484 HB2 ASP 68 2HB ASP 68 -13.721 7.559 -0.783 485 HB3 ASP 68 1HB ASP 68 -12.722 8.201 0.518 486 H SER 69 H SER 69 -9.967 5.069 -0.734 487 HA SER 69 HA SER 69 -10.947 4.134 1.883 488 HB2 SER 69 2HB SER 69 -11.276 2.689 -0.364 489 HB3 SER 69 1HB SER 69 -9.658 2.128 0.091 490 HG SER 69 HG SER 69 -11.902 1.259 1.041 491 H GLN 70 H GLN 70 -9.498 4.042 3.447 492 HA GLN 70 HA GLN 70 -6.658 4.291 2.769 493 HB2 GLN 70 2HB GLN 70 -8.321 5.088 5.077 494 HB3 GLN 70 1HB GLN 70 -6.754 4.417 5.505 495 HG2 GLN 70 2HG GLN 70 -6.992 6.594 3.462 496 HG3 GLN 70 1HG GLN 70 -6.969 6.955 5.187 497 HE21 GLN 70 1HE2 GLN 70 -5.131 6.151 2.437 498 HE22 GLN 70 2HE2 GLN 70 -3.578 6.096 3.203 499 H PHE 71 H PHE 71 -6.100 2.299 2.172 500 HA PHE 71 HA PHE 71 -6.559 0.088 4.064 501 HB2 PHE 71 2HB PHE 71 -6.969 0.383 1.186 502 HB3 PHE 71 1HB PHE 71 -6.041 -1.054 1.576 503 HD1 PHE 71 1HD PHE 71 -8.542 -0.019 4.057 504 HD2 PHE 71 2HD PHE 71 -7.900 -2.256 0.494 505 HE1 PHE 71 1HE PHE 71 -10.639 -1.230 4.444 506 HE2 PHE 71 2HE PHE 71 -9.997 -3.477 0.884 507 HZ PHE 71 HZ PHE 71 -11.372 -2.963 2.859 508 H LEU 72 H LEU 72 -4.847 -0.783 4.955 509 HA LEU 72 HA LEU 72 -2.212 0.065 4.276 510 HB2 LEU 72 2HB LEU 72 -1.441 -1.233 6.157 511 HB3 LEU 72 1HB LEU 72 -2.843 -0.289 6.604 512 HG LEU 72 HG LEU 72 -3.269 -2.245 7.720 513 HD11 LEU 72 1HD1 LEU 72 -4.506 -2.695 5.023 514 HD12 LEU 72 2HD1 LEU 72 -5.231 -1.937 6.441 515 HD13 LEU 72 3HD1 LEU 72 -4.879 -3.666 6.447 516 HD21 LEU 72 3HD2 LEU 72 -2.841 -4.527 6.538 517 HD22 LEU 72 1HD2 LEU 72 -1.507 -3.632 7.268 518 HD23 LEU 72 2HD2 LEU 72 -1.759 -3.572 5.525 519 H VAL 73 H VAL 73 -0.803 -0.810 2.934 520 HA VAL 73 HA VAL 73 -1.220 -3.613 2.090 521 HB VAL 73 HB VAL 73 0.058 -1.791 0.128 522 HG11 VAL 73 1HG1 VAL 73 -2.065 -3.814 -0.444 523 HG12 VAL 73 2HG1 VAL 73 -0.427 -4.329 -0.048 524 HG13 VAL 73 3HG1 VAL 73 -0.710 -3.297 -1.447 525 HG21 VAL 73 3HG2 VAL 73 -2.934 -1.864 0.157 526 HG22 VAL 73 1HG2 VAL 73 -1.850 -0.728 -0.646 527 HG23 VAL 73 2HG2 VAL 73 -2.073 -0.651 1.101 528 H LEU 74 H LEU 74 0.552 -4.825 1.509 529 HA LEU 74 HA LEU 74 3.025 -4.118 2.867 530 HB2 LEU 74 2HB LEU 74 2.228 -6.669 1.443 531 HB3 LEU 74 1HB LEU 74 3.682 -6.453 2.383 532 HG LEU 74 HG LEU 74 2.263 -7.716 3.750 533 HD11 LEU 74 1HD1 LEU 74 1.480 -5.102 4.895 534 HD12 LEU 74 2HD1 LEU 74 3.198 -5.456 4.708 535 HD13 LEU 74 3HD1 LEU 74 2.178 -6.524 5.671 536 HD21 LEU 74 3HD2 LEU 74 0.190 -7.614 2.647 537 HD22 LEU 74 1HD2 LEU 74 0.050 -5.874 2.900 538 HD23 LEU 74 2HD2 LEU 74 -0.097 -6.978 4.267 539 H TRP 75 H TRP 75 5.063 -4.066 1.863 540 HA TRP 75 HA TRP 75 5.204 -2.893 -0.683 541 HB2 TRP 75 2HB TRP 75 7.328 -4.176 1.027 542 HB3 TRP 75 1HB TRP 75 7.693 -3.398 -0.500 543 HD1 TRP 75 HD TRP 75 5.093 -1.685 1.706 544 HE1 TRP 75 1HE TRP 75 6.107 0.462 2.678 545 HE3 TRP 75 3HE TRP 75 9.987 -2.357 0.314 546 HZ2 TRP 75 2HZ TRP 75 8.621 1.706 2.858 547 HZ3 TRP 75 3HZ TRP 75 11.627 -0.633 0.941 548 HH2 TRP 75 HH TRP 75 10.954 1.357 2.189 549 H LYS 76 H LYS 76 4.859 -6.184 0.134 550 HA LYS 76 HA LYS 76 6.082 -7.217 -2.294 551 HB2 LYS 76 2HB LYS 76 5.108 -9.431 -1.460 552 HB3 LYS 76 1HB LYS 76 6.370 -8.692 -0.491 553 HG2 LYS 76 2HG LYS 76 4.904 -8.138 1.225 554 HG3 LYS 76 1HG LYS 76 3.486 -8.230 0.178 555 HD2 LYS 76 2HD LYS 76 3.369 -10.520 0.311 556 HD3 LYS 76 1HD LYS 76 5.101 -10.697 0.596 557 HE2 LYS 76 2HE LYS 76 3.482 -9.316 2.671 558 HE3 LYS 76 1HE LYS 76 3.314 -11.066 2.525 559 HZ1 LYS 76 3HZ LYS 76 5.313 -9.670 3.836 560 HZ2 LYS 76 1HZ LYS 76 6.047 -10.345 2.468 561 HZ3 LYS 76 2HZ LYS 76 5.232 -11.338 3.569 562 H ASP 77 H ASP 77 2.888 -6.440 -1.099 563 HA ASP 77 HA ASP 77 1.563 -7.576 -3.439 564 HB2 ASP 77 2HB ASP 77 0.734 -6.689 -0.759 565 HB3 ASP 77 1HB ASP 77 -0.408 -6.311 -2.040 566 H ILE 78 H ILE 78 3.247 -4.871 -2.955 567 HA ILE 78 HA ILE 78 1.386 -3.093 -4.366 568 HB ILE 78 HB ILE 78 3.840 -2.447 -2.726 569 HG12 ILE 78 2HG1 ILE 78 1.017 -1.483 -2.288 570 HG13 ILE 78 1HG1 ILE 78 1.551 -3.043 -1.677 571 HG21 ILE 78 1HG2 ILE 78 2.488 -0.873 -4.786 572 HG22 ILE 78 2HG2 ILE 78 4.057 -0.617 -4.024 573 HG23 ILE 78 3HG2 ILE 78 2.590 -0.048 -3.229 574 HD11 ILE 78 3HD1 ILE 78 2.355 -2.064 0.110 575 HD12 ILE 78 1HD1 ILE 78 1.849 -0.494 -0.514 576 HD13 ILE 78 2HD1 ILE 78 3.454 -1.116 -0.891 577 H SER 79 H SER 79 1.852 -2.208 -6.288 578 HA SER 79 HA SER 79 4.440 -2.758 -7.564 579 HB2 SER 79 2HB SER 79 2.118 -4.108 -8.250 580 HB3 SER 79 1HB SER 79 2.173 -2.796 -9.433 581 HG SER 79 HG SER 79 4.030 -4.867 -8.978 582 HA PRO 80 HA PRO 80 3.952 1.800 -7.845 583 HB2 PRO 80 2HB PRO 80 6.367 1.377 -9.559 584 HB3 PRO 80 1HB PRO 80 6.079 2.586 -8.303 585 HG2 PRO 80 2HG PRO 80 7.613 0.510 -7.768 586 HG3 PRO 80 1HG PRO 80 6.416 1.053 -6.572 587 HD2 PRO 80 2HD PRO 80 6.298 -1.286 -8.445 588 HD3 PRO 80 1HD PRO 80 5.782 -1.170 -6.749 589 H ALA 81 H ALA 81 2.518 2.664 -9.143 590 HA ALA 81 HA ALA 81 1.946 1.623 -11.760 591 HB1 ALA 81 3HB ALA 81 -0.012 2.858 -11.666 592 HB2 ALA 81 1HB ALA 81 0.702 4.103 -10.642 593 HB3 ALA 81 2HB ALA 81 0.314 2.522 -9.965 594 H ALA 82 H ALA 82 4.440 3.447 -10.978 595 HA ALA 82 HA ALA 82 4.175 5.629 -12.861 596 HB1 ALA 82 3HB ALA 82 6.619 4.770 -11.324 597 HB2 ALA 82 1HB ALA 82 5.389 5.877 -10.713 598 HB3 ALA 82 2HB ALA 82 6.353 6.319 -12.122 599 H LEU 83 H LEU 83 6.029 2.604 -12.637 600 HA LEU 83 HA LEU 83 6.513 2.754 -15.535 601 HB2 LEU 83 2HB LEU 83 8.495 3.002 -13.579 602 HB3 LEU 83 1HB LEU 83 8.621 1.341 -14.111 603 HG LEU 83 HG LEU 83 10.192 2.754 -15.311 604 HD11 LEU 83 1HD1 LEU 83 9.097 0.822 -16.468 605 HD12 LEU 83 2HD1 LEU 83 9.764 2.061 -17.531 606 HD13 LEU 83 3HD1 LEU 83 8.025 1.987 -17.246 607 HD21 LEU 83 3HD2 LEU 83 8.043 4.225 -16.745 608 HD22 LEU 83 1HD2 LEU 83 9.718 4.682 -16.434 609 HD23 LEU 83 2HD2 LEU 83 8.522 4.782 -15.141 610 HA ALA 331 HA ALA 331 -11.238 9.608 -15.076 611 HB1 ALA 331 3HB ALA 331 -12.756 9.467 -17.677 612 HB2 ALA 331 1HB ALA 331 -11.021 9.711 -17.468 613 HB3 ALA 331 2HB ALA 331 -12.155 10.955 -16.943 614 H THR 332 H THR 332 -14.379 8.228 -15.976 615 HA THR 332 HA THR 332 -15.623 9.870 -13.879 616 HB THR 332 HB THR 332 -16.317 10.884 -15.953 617 HG1 THR 332 1HG THR 332 -18.019 9.789 -14.228 618 HG21 THR 332 1HG2 THR 332 -17.027 8.091 -16.824 619 HG22 THR 332 2HG2 THR 332 -16.015 9.278 -17.646 620 HG23 THR 332 3HG2 THR 332 -17.761 9.512 -17.570 621 H GLY 333 H GLY 333 -17.241 8.922 -12.663 622 HA2 GLY 333 2HA GLY 333 -18.846 6.894 -12.743 623 HA3 GLY 333 1HA GLY 333 -17.344 5.986 -12.834 624 H GLY 334 H GLY 334 -15.797 6.290 -11.047 625 HA2 GLY 334 2HA GLY 334 -15.638 7.325 -8.733 626 HA3 GLY 334 1HA GLY 334 -17.238 6.643 -8.493 627 H VAL 335 H VAL 335 -14.514 5.137 -10.166 628 HA VAL 335 HA VAL 335 -14.058 3.311 -7.940 629 HB VAL 335 HB VAL 335 -15.856 2.339 -9.452 630 HG11 VAL 335 1HG1 VAL 335 -15.273 1.321 -11.541 631 HG12 VAL 335 2HG1 VAL 335 -13.594 1.832 -11.376 632 HG13 VAL 335 3HG1 VAL 335 -14.863 3.034 -11.610 633 HG21 VAL 335 3HG2 VAL 335 -14.592 0.962 -7.891 634 HG22 VAL 335 1HG2 VAL 335 -13.346 0.705 -9.113 635 HG23 VAL 335 2HG2 VAL 335 -14.972 0.071 -9.364 636 H M3L 336 H M3L 336 -12.096 1.967 -8.253 637 HA M3L 336 HA M3L 336 -9.873 3.485 -9.059 638 HB2 M3L 336 1HB M3L 336 -8.543 1.448 -8.689 639 HB3 M3L 336 2HB M3L 336 -10.016 0.493 -8.636 640 HG2 M3L 336 1HG M3L 336 -9.975 2.719 -6.748 641 HG3 M3L 336 2HG M3L 336 -8.734 1.507 -6.456 642 HD2 M3L 336 1HD M3L 336 -10.297 -0.195 -6.153 643 HD3 M3L 336 2HD M3L 336 -11.579 0.722 -6.947 644 HE2 M3L 336 1HE M3L 336 -12.232 1.555 -4.994 645 HE3 M3L 336 2HE M3L 336 -10.643 2.243 -4.725 646 HM11 M3L 336 1HM1 M3L 336 -9.373 -0.965 -3.258 647 HM12 M3L 336 2HM1 M3L 336 -9.082 0.655 -2.739 648 HM13 M3L 336 3HM1 M3L 336 -8.927 0.247 -4.407 649 HM21 M3L 336 1HM2 M3L 336 -11.249 -1.589 -4.522 650 HM22 M3L 336 2HM2 M3L 336 -12.702 -0.660 -4.451 651 HM23 M3L 336 3HM2 M3L 336 -12.033 -1.319 -3.003 652 HM31 M3L 336 3HM3 M3L 336 -11.017 0.627 -1.618 653 HM32 M3L 336 1HM3 M3L 336 -12.505 1.031 -2.401 654 HM33 M3L 336 2HM3 M3L 336 -11.161 2.111 -2.489 655 H LYS 337 H LYS 337 -8.269 3.050 -10.678 656 HA LYS 337 HA LYS 337 -9.265 1.666 -13.070 657 HB2 LYS 337 2HB LYS 337 -8.177 3.539 -14.432 658 HB3 LYS 337 1HB LYS 337 -9.691 3.917 -13.632 659 HG2 LYS 337 2HG LYS 337 -7.160 4.570 -12.202 660 HG3 LYS 337 1HG LYS 337 -7.607 5.563 -13.586 661 HD2 LYS 337 2HD LYS 337 -9.926 5.234 -11.958 662 HD3 LYS 337 1HD LYS 337 -8.591 5.701 -10.901 663 HE2 LYS 337 2HE LYS 337 -8.125 7.505 -12.713 664 HE3 LYS 337 1HE LYS 337 -9.781 7.181 -13.223 665 HZ1 LYS 337 3HZ LYS 337 -8.853 8.714 -11.031 666 HZ2 LYS 337 1HZ LYS 337 -9.855 7.469 -10.474 667 HZ3 LYS 337 2HZ LYS 337 -10.428 8.563 -11.630 668 HA PRO 338 HA PRO 338 -4.743 0.605 -12.106 669 HB2 PRO 338 2HB PRO 338 -5.509 -2.016 -11.145 670 HB3 PRO 338 1HB PRO 338 -4.688 -0.723 -10.268 671 HG2 PRO 338 2HG PRO 338 -7.203 -1.541 -9.676 672 HG3 PRO 338 1HG PRO 338 -6.630 0.121 -9.440 673 HD2 PRO 338 2HD PRO 338 -8.225 -1.015 -11.726 674 HD3 PRO 338 1HD PRO 338 -8.517 0.473 -10.794 675 H HIS 339 H HIS 339 -3.769 -1.806 -12.455 676 HA HIS 339 HA HIS 339 -4.201 -2.431 -15.250 677 HB2 HIS 339 2HB HIS 339 -1.936 -2.379 -14.967 678 HB3 HIS 339 1HB HIS 339 -2.079 -2.609 -13.234 679 HD1 HIS 339 1HD HIS 339 -2.015 -4.694 -16.398 680 HD2 HIS 339 2HD HIS 339 -1.243 -4.960 -12.324 681 HE1 HIS 339 1HE HIS 339 -0.942 -6.937 -16.066 682 HE2 HIS 339 2HE HIS 339 -0.400 -7.050 -13.609 683 H ARG 340 H ARG 340 -5.652 -3.946 -15.790 684 HA ARG 340 HA ARG 340 -6.661 -5.819 -13.840 685 HB2 ARG 340 2HB ARG 340 -7.467 -4.876 -16.519 686 HB3 ARG 340 1HB ARG 340 -7.921 -6.529 -16.126 687 HG2 ARG 340 2HG ARG 340 -9.359 -5.887 -14.461 688 HG3 ARG 340 1HG ARG 340 -8.488 -4.386 -14.140 689 HD2 ARG 340 2HD ARG 340 -9.858 -4.767 -16.767 690 HD3 ARG 340 1HD ARG 340 -10.806 -4.329 -15.347 691 HE ARG 340 HE ARG 340 -8.481 -2.702 -16.103 692 HH11 ARG 340 1HH1 ARG 340 -11.957 -2.958 -15.662 693 HH12 ARG 340 2HH1 ARG 340 -12.213 -1.250 -15.781 694 HH21 ARG 340 1HH2 ARG 340 -8.841 -0.470 -16.257 695 HH22 ARG 340 2HH2 ARG 340 -10.450 0.157 -16.119 696 H TYR 341 H TYR 341 -5.336 -7.438 -13.359 697 HA TYR 341 HA TYR 341 -4.557 -9.261 -15.537 698 HB2 TYR 341 2HB TYR 341 -2.656 -7.841 -14.458 699 HB3 TYR 341 1HB TYR 341 -2.844 -8.926 -13.087 700 HD1 TYR 341 2HD TYR 341 -2.048 -8.841 -16.720 701 HD2 TYR 341 1HD TYR 341 -1.868 -11.063 -13.096 702 HE1 TYR 341 2HE TYR 341 -0.567 -10.477 -17.804 703 HE2 TYR 341 1HE TYR 341 -0.386 -12.706 -14.171 704 HH TYR 341 HH TYR 341 -0.076 -13.177 -17.232 Start of MODEL 12 1 HA SER 5 HA SER 5 6.202 -24.406 3.131 2 HB2 SER 5 2HB SER 5 3.563 -25.456 2.080 3 HB3 SER 5 1HB SER 5 4.570 -24.272 1.249 4 HG SER 5 HG SER 5 6.025 -26.426 1.970 5 H ARG 6 H ARG 6 5.793 -22.240 2.980 6 HA ARG 6 HA ARG 6 3.378 -21.214 4.315 7 HB2 ARG 6 2HB ARG 6 5.968 -21.061 5.339 8 HB3 ARG 6 1HB ARG 6 5.682 -19.473 4.640 9 HG2 ARG 6 2HG ARG 6 3.727 -19.163 5.993 10 HG3 ARG 6 1HG ARG 6 3.830 -20.819 6.594 11 HD2 ARG 6 2HD ARG 6 6.070 -20.236 7.553 12 HD3 ARG 6 1HD ARG 6 5.756 -18.559 7.108 13 HE ARG 6 HE ARG 6 3.588 -19.457 8.611 14 HH11 ARG 6 1HH1 ARG 6 7.004 -18.820 9.121 15 HH12 ARG 6 2HH1 ARG 6 6.800 -18.442 10.799 16 HH21 ARG 6 1HH2 ARG 6 3.346 -18.959 10.809 17 HH22 ARG 6 2HH2 ARG 6 4.731 -18.521 11.752 18 H LEU 7 H LEU 7 2.751 -19.055 3.699 19 HA LEU 7 HA LEU 7 3.251 -18.531 0.884 20 HB2 LEU 7 2HB LEU 7 1.291 -17.435 2.887 21 HB3 LEU 7 1HB LEU 7 1.471 -16.733 1.291 22 HG LEU 7 HG LEU 7 1.110 -19.366 0.670 23 HD11 LEU 7 1HD1 LEU 7 0.690 -19.901 3.044 24 HD12 LEU 7 2HD1 LEU 7 -0.696 -20.235 2.006 25 HD13 LEU 7 3HD1 LEU 7 -0.683 -18.794 3.023 26 HD21 LEU 7 3HD2 LEU 7 -1.265 -18.677 0.211 27 HD22 LEU 7 1HD2 LEU 7 -0.026 -17.618 -0.465 28 HD23 LEU 7 2HD2 LEU 7 -0.892 -17.142 0.996 29 H SER 8 H SER 8 3.686 -16.901 3.999 30 HA SER 8 HA SER 8 5.123 -14.710 2.677 31 HB2 SER 8 2HB SER 8 3.510 -14.941 5.105 32 HB3 SER 8 1HB SER 8 5.042 -14.111 5.381 33 HG SER 8 HG SER 8 4.219 -12.449 4.419 34 H ARG 9 H ARG 9 7.266 -14.415 2.900 35 HA ARG 9 HA ARG 9 8.766 -16.482 4.312 36 HB2 ARG 9 2HB ARG 9 10.757 -15.440 3.094 37 HB3 ARG 9 1HB ARG 9 9.560 -16.260 2.109 38 HG2 ARG 9 2HG ARG 9 8.597 -14.099 1.473 39 HG3 ARG 9 1HG ARG 9 9.796 -13.274 2.470 40 HD2 ARG 9 2HD ARG 9 11.532 -14.536 1.050 41 HD3 ARG 9 1HD ARG 9 10.199 -14.825 -0.067 42 HE ARG 9 HE ARG 9 10.385 -12.074 0.609 43 HH11 ARG 9 1HH1 ARG 9 11.918 -14.505 -1.409 44 HH12 ARG 9 2HH1 ARG 9 12.490 -13.349 -2.566 45 HH21 ARG 9 1HH2 ARG 9 11.142 -10.580 -0.918 46 HH22 ARG 9 2HH2 ARG 9 12.051 -11.128 -2.286 47 H SER 10 H SER 10 8.925 -16.033 6.410 48 HA SER 10 HA SER 10 10.320 -13.578 7.196 49 HB2 SER 10 2HB SER 10 7.638 -13.736 7.583 50 HB3 SER 10 1HB SER 10 8.214 -14.474 9.077 51 HG SER 10 HG SER 10 8.927 -11.921 8.061 52 H GLY 11 H GLY 11 11.702 -13.794 8.914 53 HA2 GLY 11 2HA GLY 11 11.774 -16.322 10.391 54 HA3 GLY 11 1HA GLY 11 13.193 -15.894 9.447 55 H ALA 12 H ALA 12 14.198 -13.786 9.930 56 HA ALA 12 HA ALA 12 13.833 -12.963 12.735 57 HB1 ALA 12 3HB ALA 12 16.524 -13.156 11.400 58 HB2 ALA 12 1HB ALA 12 15.836 -14.457 12.371 59 HB3 ALA 12 2HB ALA 12 16.172 -12.890 13.107 60 H SER 13 H SER 13 13.510 -10.857 12.978 61 HA SER 13 HA SER 13 14.233 -9.049 10.767 62 HB2 SER 13 2HB SER 13 11.953 -8.937 12.743 63 HB3 SER 13 1HB SER 13 12.404 -7.568 11.728 64 HG SER 13 HG SER 13 11.510 -8.514 10.075 65 H SER 14 H SER 14 14.040 -9.293 14.311 66 HA SER 14 HA SER 14 15.759 -6.930 14.558 67 HB2 SER 14 2HB SER 14 15.155 -7.092 17.009 68 HB3 SER 14 1HB SER 14 13.801 -6.767 15.927 69 HG SER 14 HG SER 14 12.960 -8.647 16.407 70 H LEU 15 H LEU 15 17.855 -7.245 14.712 71 HA LEU 15 HA LEU 15 18.888 -9.462 16.329 72 HB2 LEU 15 2HB LEU 15 19.768 -8.797 13.517 73 HB3 LEU 15 1HB LEU 15 20.698 -9.806 14.607 74 HG LEU 15 HG LEU 15 18.164 -10.960 14.611 75 HD11 LEU 15 1HD1 LEU 15 17.524 -9.608 12.692 76 HD12 LEU 15 2HD1 LEU 15 17.666 -11.308 12.245 77 HD13 LEU 15 3HD1 LEU 15 18.942 -10.173 11.807 78 HD21 LEU 15 3HD2 LEU 15 20.219 -12.199 14.708 79 HD22 LEU 15 1HD2 LEU 15 20.670 -11.661 13.090 80 HD23 LEU 15 2HD2 LEU 15 19.296 -12.746 13.307 81 H TRP 16 H TRP 16 19.796 -6.555 14.469 82 HA TRP 16 HA TRP 16 21.418 -5.655 16.746 83 HB2 TRP 16 2HB TRP 16 22.633 -6.698 14.563 84 HB3 TRP 16 1HB TRP 16 22.492 -5.016 14.058 85 HD1 TRP 16 HD TRP 16 24.307 -3.413 14.907 86 HE1 TRP 16 1HE TRP 16 26.209 -3.545 16.633 87 HE3 TRP 16 3HE TRP 16 23.195 -7.947 17.020 88 HZ2 TRP 16 2HZ TRP 16 27.120 -5.323 18.622 89 HZ3 TRP 16 3HZ TRP 16 24.637 -8.786 18.829 90 HH2 TRP 16 HH TRP 16 26.559 -7.500 19.611 91 H ASP 17 H ASP 17 21.760 -3.362 16.837 92 HA ASP 17 HA ASP 17 19.520 -1.871 15.717 93 HB2 ASP 17 2HB ASP 17 20.583 -1.869 18.208 94 HB3 ASP 17 1HB ASP 17 21.438 -0.500 17.503 95 HA PRO 18 HA PRO 18 22.322 -0.086 12.664 96 HB2 PRO 18 2HB PRO 18 20.524 1.373 11.281 97 HB3 PRO 18 1HB PRO 18 20.596 -0.388 11.162 98 HG2 PRO 18 2HG PRO 18 18.709 1.333 12.717 99 HG3 PRO 18 1HG PRO 18 18.378 -0.144 11.794 100 HD2 PRO 18 2HD PRO 18 18.678 -0.059 14.531 101 HD3 PRO 18 1HD PRO 18 18.957 -1.501 13.538 102 H ALA 19 H ALA 19 22.499 1.077 15.185 103 HA ALA 19 HA ALA 19 22.126 3.957 14.857 104 HB1 ALA 19 3HB ALA 19 21.407 3.157 16.962 105 HB2 ALA 19 1HB ALA 19 22.918 4.019 17.251 106 HB3 ALA 19 2HB ALA 19 22.902 2.256 17.212 107 H SER 20 H SER 20 24.526 1.688 14.246 108 HA SER 20 HA SER 20 26.778 3.408 14.872 109 HB2 SER 20 2HB SER 20 26.411 0.590 14.406 110 HB3 SER 20 1HB SER 20 27.685 1.213 13.358 111 HG SER 20 HG SER 20 28.422 2.272 15.434 112 HA PRO 21 HA PRO 21 27.183 3.427 10.027 113 HB2 PRO 21 2HB PRO 21 24.997 2.803 8.534 114 HB3 PRO 21 1HB PRO 21 26.219 1.615 9.000 115 HG2 PRO 21 2HG PRO 21 23.538 2.155 10.219 116 HG3 PRO 21 1HG PRO 21 24.321 0.601 9.878 117 HD2 PRO 21 2HD PRO 21 24.275 1.698 12.354 118 HD3 PRO 21 1HD PRO 21 25.618 0.693 11.780 119 H ALA 22 H ALA 22 26.612 5.075 8.487 120 HA ALA 22 HA ALA 22 25.045 7.212 9.691 121 HB1 ALA 22 3HB ALA 22 27.387 7.098 8.073 122 HB2 ALA 22 1HB ALA 22 26.672 8.493 8.883 123 HB3 ALA 22 2HB ALA 22 26.174 8.072 7.244 124 HA PRO 23 HA PRO 23 22.727 6.864 5.462 125 HB2 PRO 23 2HB PRO 23 23.418 4.338 4.194 126 HB3 PRO 23 1HB PRO 23 23.561 5.975 3.549 127 HG2 PRO 23 2HG PRO 23 25.717 4.450 4.167 128 HG3 PRO 23 1HG PRO 23 25.725 6.219 4.289 129 HD2 PRO 23 2HD PRO 23 25.362 4.172 6.455 130 HD3 PRO 23 1HD PRO 23 26.351 5.650 6.458 131 H THR 24 H THR 24 20.654 6.296 5.586 132 HA THR 24 HA THR 24 19.955 3.702 6.807 133 HB THR 24 HB THR 24 17.784 4.934 7.474 134 HG1 THR 24 1HG THR 24 17.771 7.063 7.311 135 HG21 THR 24 1HG2 THR 24 20.398 5.632 8.818 136 HG22 THR 24 2HG2 THR 24 19.453 4.169 9.087 137 HG23 THR 24 3HG2 THR 24 18.800 5.739 9.557 138 H SER 25 H SER 25 19.579 5.757 4.100 139 HA SER 25 HA SER 25 17.146 4.464 3.146 140 HB2 SER 25 2HB SER 25 17.409 6.068 1.215 141 HB3 SER 25 1HB SER 25 17.234 6.839 2.791 142 HG SER 25 HG SER 25 18.962 7.858 2.077 143 H GLY 26 H GLY 26 17.074 3.638 0.889 144 HA2 GLY 26 2HA GLY 26 19.306 1.831 0.429 145 HA3 GLY 26 1HA GLY 26 17.751 1.800 -0.386 146 HA PRO 27 HA PRO 27 20.921 3.560 -3.362 147 HB2 PRO 27 2HB PRO 27 19.847 1.657 -5.302 148 HB3 PRO 27 1HB PRO 27 21.508 1.844 -4.730 149 HG2 PRO 27 2HG PRO 27 19.998 -0.304 -4.093 150 HG3 PRO 27 1HG PRO 27 21.214 0.363 -2.987 151 HD2 PRO 27 2HD PRO 27 18.237 0.761 -2.987 152 HD3 PRO 27 1HD PRO 27 19.324 0.422 -1.623 153 H ARG 28 H ARG 28 17.594 2.507 -4.112 154 HA ARG 28 HA ARG 28 17.143 5.085 -5.443 155 HB2 ARG 28 2HB ARG 28 16.747 2.357 -6.527 156 HB3 ARG 28 1HB ARG 28 15.464 3.513 -6.853 157 HG2 ARG 28 2HG ARG 28 17.191 5.055 -7.784 158 HG3 ARG 28 1HG ARG 28 18.366 3.750 -7.606 159 HD2 ARG 28 2HD ARG 28 16.455 2.426 -8.928 160 HD3 ARG 28 1HD ARG 28 16.133 4.051 -9.532 161 HE ARG 28 HE ARG 28 18.886 3.546 -9.719 162 HH11 ARG 28 1HH1 ARG 28 15.897 2.482 -11.227 163 HH12 ARG 28 2HH1 ARG 28 16.662 2.086 -12.730 164 HH21 ARG 28 1HH2 ARG 28 19.865 3.019 -11.693 165 HH22 ARG 28 2HH2 ARG 28 18.907 2.389 -12.991 166 HA PRO 29 HA PRO 29 13.545 5.090 -2.750 167 HB2 PRO 29 2HB PRO 29 12.227 7.096 -4.376 168 HB3 PRO 29 1HB PRO 29 12.995 7.288 -2.799 169 HG2 PRO 29 2HG PRO 29 13.985 8.390 -5.087 170 HG3 PRO 29 1HG PRO 29 14.999 7.928 -3.707 171 HD2 PRO 29 2HD PRO 29 14.508 6.460 -6.277 172 HD3 PRO 29 1HD PRO 29 16.022 6.698 -5.382 173 H ARG 30 H ARG 30 11.735 3.905 -2.640 174 HA ARG 30 HA ARG 30 10.317 3.276 -5.143 175 HB2 ARG 30 2HB ARG 30 11.611 1.509 -3.337 176 HB3 ARG 30 1HB ARG 30 9.882 1.239 -3.175 177 HG2 ARG 30 2HG ARG 30 9.656 0.663 -5.450 178 HG3 ARG 30 1HG ARG 30 11.266 1.275 -5.840 179 HD2 ARG 30 2HD ARG 30 12.329 -0.523 -4.791 180 HD3 ARG 30 1HD ARG 30 10.886 -0.962 -3.880 181 HE ARG 30 HE ARG 30 9.938 -1.809 -5.945 182 HH11 ARG 30 1HH1 ARG 30 13.399 -1.196 -6.023 183 HH12 ARG 30 2HH1 ARG 30 13.675 -2.285 -7.340 184 HH21 ARG 30 1HH2 ARG 30 10.329 -3.231 -7.665 185 HH22 ARG 30 2HH2 ARG 30 11.940 -3.436 -8.267 186 H LEU 31 H LEU 31 9.683 2.872 -1.635 187 HA LEU 31 HA LEU 31 6.916 3.746 -2.042 188 HB2 LEU 31 2HB LEU 31 8.387 2.207 0.040 189 HB3 LEU 31 1HB LEU 31 7.000 3.133 0.564 190 HG LEU 31 HG LEU 31 6.202 0.950 0.214 191 HD11 LEU 31 1HD1 LEU 31 4.991 2.924 -0.987 192 HD12 LEU 31 2HD1 LEU 31 4.449 1.257 -1.194 193 HD13 LEU 31 3HD1 LEU 31 5.429 2.027 -2.441 194 HD21 LEU 31 3HD2 LEU 31 7.739 0.948 -2.365 195 HD22 LEU 31 1HD2 LEU 31 6.502 -0.246 -1.977 196 HD23 LEU 31 2HD2 LEU 31 7.942 -0.109 -0.968 197 H TRP 32 H TRP 32 6.439 5.801 -1.848 198 HA TRP 32 HA TRP 32 7.526 7.387 0.346 199 HB2 TRP 32 2HB TRP 32 8.158 9.272 -1.098 200 HB3 TRP 32 1HB TRP 32 9.082 7.839 -1.515 201 HD1 TRP 32 HD TRP 32 8.051 6.481 -3.794 202 HE1 TRP 32 1HE TRP 32 7.175 7.525 -5.971 203 HE3 TRP 32 3HE TRP 32 7.093 11.226 -2.115 204 HZ2 TRP 32 2HZ TRP 32 6.217 10.018 -6.872 205 HZ3 TRP 32 3HZ TRP 32 6.202 12.876 -3.706 206 HH2 TRP 32 HH TRP 32 5.773 12.283 -6.035 207 H GLU 33 H GLU 33 6.302 9.375 0.742 208 HA GLU 33 HA GLU 33 3.511 8.974 0.576 209 HB2 GLU 33 2HB GLU 33 5.268 11.201 1.517 210 HB3 GLU 33 1HB GLU 33 3.545 11.500 1.329 211 HG2 GLU 33 2HG GLU 33 3.039 9.695 2.869 212 HG3 GLU 33 1HG GLU 33 4.755 9.321 3.020 213 H GLY 34 H GLY 34 2.243 9.208 -1.106 214 HA2 GLY 34 2HA GLY 34 1.122 10.517 -2.733 215 HA3 GLY 34 1HA GLY 34 2.562 11.508 -2.900 216 H GLN 35 H GLN 35 2.783 8.035 -2.838 217 HA GLN 35 HA GLN 35 3.651 8.061 -5.640 218 HB2 GLN 35 2HB GLN 35 5.408 7.056 -4.568 219 HB3 GLN 35 1HB GLN 35 4.419 6.544 -3.209 220 HG2 GLN 35 2HG GLN 35 4.454 4.457 -3.981 221 HG3 GLN 35 1HG GLN 35 3.643 4.993 -5.453 222 HE21 GLN 35 1HE2 GLN 35 5.575 2.897 -5.059 223 HE22 GLN 35 2HE2 GLN 35 6.922 3.255 -6.075 224 H ASP 36 H ASP 36 2.290 7.306 -7.142 225 HA ASP 36 HA ASP 36 -0.170 6.019 -6.443 226 HB2 ASP 36 2HB ASP 36 1.149 6.568 -9.099 227 HB3 ASP 36 1HB ASP 36 -0.372 5.704 -8.972 228 H VAL 37 H VAL 37 -0.254 4.046 -5.751 229 HA VAL 37 HA VAL 37 1.621 2.044 -6.810 230 HB VAL 37 HB VAL 37 1.155 0.800 -4.686 231 HG11 VAL 37 1HG1 VAL 37 2.365 3.525 -4.314 232 HG12 VAL 37 2HG1 VAL 37 3.180 2.146 -5.050 233 HG13 VAL 37 3HG1 VAL 37 2.700 2.087 -3.355 234 HG21 VAL 37 3HG2 VAL 37 0.080 3.366 -3.538 235 HG22 VAL 37 1HG2 VAL 37 0.044 1.741 -2.851 236 HG23 VAL 37 2HG2 VAL 37 -0.993 2.143 -4.216 237 H LEU 38 H LEU 38 0.915 -0.165 -6.767 238 HA LEU 38 HA LEU 38 -1.945 -0.492 -7.356 239 HB2 LEU 38 2HB LEU 38 0.459 -1.822 -8.587 240 HB3 LEU 38 1HB LEU 38 -1.182 -2.393 -8.831 241 HG LEU 38 HG LEU 38 -0.296 0.396 -9.557 242 HD11 LEU 38 1HD1 LEU 38 1.023 -0.719 -11.034 243 HD12 LEU 38 2HD1 LEU 38 -0.492 -0.744 -11.937 244 HD13 LEU 38 3HD1 LEU 38 0.011 -2.164 -11.020 245 HD21 LEU 38 3HD2 LEU 38 -2.471 0.676 -9.887 246 HD22 LEU 38 1HD2 LEU 38 -2.794 -1.020 -9.542 247 HD23 LEU 38 2HD2 LEU 38 -2.377 -0.517 -11.181 248 H ALA 39 H ALA 39 -2.713 -1.219 -5.552 249 HA ALA 39 HA ALA 39 -1.287 -3.203 -3.961 250 HB1 ALA 39 3HB ALA 39 -2.470 -2.412 -2.197 251 HB2 ALA 39 1HB ALA 39 -3.953 -2.226 -3.123 252 HB3 ALA 39 2HB ALA 39 -2.681 -1.010 -3.240 253 H ARG 40 H ARG 40 -1.533 -5.207 -4.685 254 HA ARG 40 HA ARG 40 -3.793 -6.167 -6.145 255 HB2 ARG 40 2HB ARG 40 -1.178 -6.954 -5.787 256 HB3 ARG 40 1HB ARG 40 -2.062 -8.155 -4.869 257 HG2 ARG 40 2HG ARG 40 -3.265 -8.886 -6.759 258 HG3 ARG 40 1HG ARG 40 -2.752 -7.494 -7.711 259 HD2 ARG 40 2HD ARG 40 -0.949 -8.598 -8.413 260 HD3 ARG 40 1HD ARG 40 -0.440 -8.869 -6.748 261 HE ARG 40 HE ARG 40 -2.356 -10.750 -7.144 262 HH11 ARG 40 1HH1 ARG 40 0.587 -9.944 -8.884 263 HH12 ARG 40 2HH1 ARG 40 0.842 -11.567 -9.433 264 HH21 ARG 40 1HH2 ARG 40 -2.004 -12.865 -7.877 265 HH22 ARG 40 2HH2 ARG 40 -0.626 -13.218 -8.865 266 H TRP 41 H TRP 41 -5.668 -6.911 -5.354 267 HA TRP 41 HA TRP 41 -5.864 -7.488 -2.491 268 HB2 TRP 41 2HB TRP 41 -7.403 -5.817 -3.679 269 HB3 TRP 41 1HB TRP 41 -8.212 -7.218 -4.376 270 HD1 TRP 41 HD TRP 41 -10.144 -8.174 -2.964 271 HE1 TRP 41 1HE TRP 41 -10.952 -7.935 -0.534 272 HE3 TRP 41 3HE TRP 41 -6.291 -5.369 -1.082 273 HZ2 TRP 41 2HZ TRP 41 -10.080 -6.729 1.860 274 HZ3 TRP 41 3HZ TRP 41 -6.360 -4.720 1.289 275 HH2 TRP 41 HH TRP 41 -8.216 -5.387 2.729 276 H THR 42 H THR 42 -7.322 -9.264 -1.811 277 HA THR 42 HA THR 42 -6.456 -11.715 -3.015 278 HB THR 42 HB THR 42 -6.530 -11.556 -0.604 279 HG1 THR 42 1HG THR 42 -8.125 -13.441 -0.309 280 HG21 THR 42 1HG2 THR 42 -9.266 -10.606 -1.044 281 HG22 THR 42 2HG2 THR 42 -8.192 -10.351 0.331 282 HG23 THR 42 3HG2 THR 42 -9.144 -11.831 0.218 283 H ASP 43 H ASP 43 -8.888 -9.777 -4.018 284 HA ASP 43 HA ASP 43 -10.845 -11.880 -4.525 285 HB2 ASP 43 2HB ASP 43 -12.189 -10.029 -5.591 286 HB3 ASP 43 1HB ASP 43 -11.848 -9.810 -3.879 287 H GLY 44 H GLY 44 -8.040 -10.970 -5.910 288 HA2 GLY 44 2HA GLY 44 -7.170 -11.933 -7.886 289 HA3 GLY 44 1HA GLY 44 -8.807 -12.083 -8.505 290 H LEU 45 H LEU 45 -9.111 -9.160 -7.482 291 HA LEU 45 HA LEU 45 -8.199 -7.930 -9.970 292 HB2 LEU 45 2HB LEU 45 -10.257 -7.143 -7.920 293 HB3 LEU 45 1HB LEU 45 -9.744 -6.062 -9.208 294 HG LEU 45 HG LEU 45 -10.540 -8.691 -10.195 295 HD11 LEU 45 1HD1 LEU 45 -12.574 -6.992 -8.761 296 HD12 LEU 45 2HD1 LEU 45 -12.074 -8.628 -8.330 297 HD13 LEU 45 3HD1 LEU 45 -12.945 -8.340 -9.836 298 HD21 LEU 45 3HD2 LEU 45 -11.650 -7.402 -11.841 299 HD22 LEU 45 1HD2 LEU 45 -10.128 -6.582 -11.497 300 HD23 LEU 45 2HD2 LEU 45 -11.636 -5.962 -10.823 301 H LEU 46 H LEU 46 -7.116 -5.977 -10.020 302 HA LEU 46 HA LEU 46 -5.285 -5.483 -7.828 303 HB2 LEU 46 2HB LEU 46 -4.569 -5.597 -10.220 304 HB3 LEU 46 1HB LEU 46 -5.571 -4.200 -10.553 305 HG LEU 46 HG LEU 46 -4.093 -2.874 -9.028 306 HD11 LEU 46 1HD1 LEU 46 -1.787 -4.534 -9.236 307 HD12 LEU 46 2HD1 LEU 46 -3.059 -5.433 -8.416 308 HD13 LEU 46 3HD1 LEU 46 -2.544 -3.872 -7.786 309 HD21 LEU 46 3HD2 LEU 46 -2.106 -3.269 -10.797 310 HD22 LEU 46 1HD2 LEU 46 -3.586 -2.387 -11.160 311 HD23 LEU 46 2HD2 LEU 46 -3.438 -4.077 -11.625 312 H TYR 47 H TYR 47 -4.834 -3.167 -7.201 313 HA TYR 47 HA TYR 47 -7.220 -1.442 -7.210 314 HB2 TYR 47 2HB TYR 47 -5.589 -2.248 -4.788 315 HB3 TYR 47 1HB TYR 47 -6.635 -0.843 -4.808 316 HD1 TYR 47 1HD TYR 47 -8.584 -3.040 -6.605 317 HD2 TYR 47 2HD TYR 47 -7.012 -2.571 -2.682 318 HE1 TYR 47 1HE TYR 47 -10.431 -4.381 -5.716 319 HE2 TYR 47 2HE TYR 47 -8.855 -3.920 -1.785 320 HH TYR 47 HH TYR 47 -10.471 -5.872 -2.997 321 H LEU 48 H LEU 48 -6.739 0.666 -7.610 322 HA LEU 48 HA LEU 48 -3.905 1.403 -7.741 323 HB2 LEU 48 2HB LEU 48 -5.173 1.731 -9.801 324 HB3 LEU 48 1HB LEU 48 -6.343 2.724 -8.957 325 HG LEU 48 HG LEU 48 -4.466 4.384 -8.539 326 HD11 LEU 48 1HD1 LEU 48 -2.504 4.291 -9.943 327 HD12 LEU 48 2HD1 LEU 48 -3.042 2.769 -10.650 328 HD13 LEU 48 3HD1 LEU 48 -2.585 2.839 -8.947 329 HD21 LEU 48 3HD2 LEU 48 -6.133 4.812 -10.212 330 HD22 LEU 48 1HD2 LEU 48 -5.304 3.765 -11.365 331 HD23 LEU 48 2HD2 LEU 48 -4.556 5.276 -10.850 332 H GLY 49 H GLY 49 -3.027 2.807 -6.381 333 HA2 GLY 49 2HA GLY 49 -4.722 4.642 -4.865 334 HA3 GLY 49 1HA GLY 49 -3.858 3.438 -3.941 335 H THR 50 H THR 50 -3.279 5.717 -3.084 336 HA THR 50 HA THR 50 -0.628 6.376 -4.165 337 HB THR 50 HB THR 50 -1.822 8.671 -2.848 338 HG1 THR 50 1HG THR 50 -3.587 7.443 -4.249 339 HG21 THR 50 1HG2 THR 50 -1.005 9.810 -4.873 340 HG22 THR 50 2HG2 THR 50 -0.677 8.243 -5.612 341 HG23 THR 50 3HG2 THR 50 0.221 8.747 -4.181 342 H ILE 51 H ILE 51 0.934 6.674 -2.652 343 HA ILE 51 HA ILE 51 0.488 5.459 -0.124 344 HB ILE 51 HB ILE 51 2.952 6.851 -1.176 345 HG12 ILE 51 2HG1 ILE 51 2.163 4.946 -2.544 346 HG13 ILE 51 1HG1 ILE 51 3.721 4.621 -1.801 347 HG21 ILE 51 1HG2 ILE 51 2.668 6.377 1.416 348 HG22 ILE 51 2HG2 ILE 51 4.204 6.095 0.596 349 HG23 ILE 51 3HG2 ILE 51 3.122 4.744 0.928 350 HD11 ILE 51 3HD1 ILE 51 1.893 3.610 0.016 351 HD12 ILE 51 1HD1 ILE 51 2.836 2.685 -1.145 352 HD13 ILE 51 2HD1 ILE 51 1.214 3.207 -1.558 353 H LYS 52 H LYS 52 -0.327 6.284 1.576 354 HA LYS 52 HA LYS 52 -0.169 9.161 2.110 355 HB2 LYS 52 2HB LYS 52 -2.265 7.424 2.305 356 HB3 LYS 52 1HB LYS 52 -1.685 7.440 3.964 357 HG2 LYS 52 2HG LYS 52 -1.799 9.967 3.835 358 HG3 LYS 52 1HG LYS 52 -2.687 9.747 2.327 359 HD2 LYS 52 2HD LYS 52 -4.529 9.641 3.608 360 HD3 LYS 52 1HD LYS 52 -3.970 8.029 4.059 361 HE2 LYS 52 2HE LYS 52 -4.360 9.074 6.107 362 HE3 LYS 52 1HE LYS 52 -2.619 9.227 5.886 363 HZ1 LYS 52 3HZ LYS 52 -3.057 11.488 4.981 364 HZ2 LYS 52 1HZ LYS 52 -3.456 11.312 6.617 365 HZ3 LYS 52 2HZ LYS 52 -4.675 11.321 5.445 366 H LYS 53 H LYS 53 1.028 6.098 3.206 367 HA LYS 53 HA LYS 53 2.796 7.395 5.113 368 HB2 LYS 53 2HB LYS 53 0.456 6.126 6.045 369 HB3 LYS 53 1HB LYS 53 1.762 4.996 6.362 370 HG2 LYS 53 2HG LYS 53 1.717 6.219 8.307 371 HG3 LYS 53 1HG LYS 53 2.963 7.059 7.387 372 HD2 LYS 53 2HD LYS 53 0.456 8.228 6.718 373 HD3 LYS 53 1HD LYS 53 0.544 8.112 8.477 374 HE2 LYS 53 2HE LYS 53 2.622 9.310 8.504 375 HE3 LYS 53 1HE LYS 53 2.714 9.278 6.743 376 HZ1 LYS 53 3HZ LYS 53 1.947 11.422 7.637 377 HZ2 LYS 53 1HZ LYS 53 0.588 10.656 8.292 378 HZ3 LYS 53 2HZ LYS 53 0.805 10.704 6.615 379 H VAL 54 H VAL 54 4.533 5.939 5.833 380 HA VAL 54 HA VAL 54 4.934 3.598 4.109 381 HB VAL 54 HB VAL 54 6.931 5.860 4.419 382 HG11 VAL 54 1HG1 VAL 54 8.609 4.605 3.408 383 HG12 VAL 54 2HG1 VAL 54 7.474 3.405 2.790 384 HG13 VAL 54 3HG1 VAL 54 7.869 3.439 4.508 385 HG21 VAL 54 3HG2 VAL 54 5.394 6.373 2.693 386 HG22 VAL 54 1HG2 VAL 54 5.446 4.727 2.061 387 HG23 VAL 54 2HG2 VAL 54 6.851 5.779 1.897 388 H ASP 55 H ASP 55 5.883 1.925 5.030 389 HA ASP 55 HA ASP 55 7.073 2.218 7.705 390 HB2 ASP 55 2HB ASP 55 4.964 0.349 6.721 391 HB3 ASP 55 1HB ASP 55 6.175 -0.320 7.818 392 H SER 56 H SER 56 9.067 2.449 6.529 393 HA SER 56 HA SER 56 10.101 0.413 4.821 394 HB2 SER 56 2HB SER 56 10.738 2.924 4.978 395 HB3 SER 56 1HB SER 56 11.827 2.403 6.264 396 HG SER 56 HG SER 56 12.947 2.336 4.340 397 H ALA 57 H ALA 57 9.718 0.442 8.151 398 HA ALA 57 HA ALA 57 12.111 -1.095 8.774 399 HB1 ALA 57 3HB ALA 57 11.198 0.645 10.319 400 HB2 ALA 57 1HB ALA 57 11.446 -0.938 11.058 401 HB3 ALA 57 2HB ALA 57 9.820 -0.419 10.608 402 H ARG 58 H ARG 58 8.649 -1.586 8.382 403 HA ARG 58 HA ARG 58 8.983 -4.463 8.907 404 HB2 ARG 58 2HB ARG 58 6.617 -2.620 9.123 405 HB3 ARG 58 1HB ARG 58 6.399 -4.361 9.005 406 HG2 ARG 58 2HG ARG 58 8.336 -3.491 11.036 407 HG3 ARG 58 1HG ARG 58 6.665 -3.008 11.334 408 HD2 ARG 58 2HD ARG 58 5.919 -5.271 11.253 409 HD3 ARG 58 1HD ARG 58 7.485 -5.828 10.667 410 HE ARG 58 HE ARG 58 8.394 -5.332 12.854 411 HH11 ARG 58 1HH1 ARG 58 4.884 -5.383 12.682 412 HH12 ARG 58 2HH1 ARG 58 4.693 -5.654 14.381 413 HH21 ARG 58 1HH2 ARG 58 8.115 -5.685 15.074 414 HH22 ARG 58 2HH2 ARG 58 6.519 -5.824 15.733 415 H GLU 59 H GLU 59 9.128 -2.522 6.335 416 HA GLU 59 HA GLU 59 8.854 -2.705 4.087 417 HB2 GLU 59 2HB GLU 59 8.647 -5.601 4.886 418 HB3 GLU 59 1HB GLU 59 8.450 -5.114 3.207 419 HG2 GLU 59 2HG GLU 59 10.842 -4.135 4.669 420 HG3 GLU 59 1HG GLU 59 10.793 -5.835 4.189 421 H VAL 60 H VAL 60 6.705 -1.736 5.400 422 HA VAL 60 HA VAL 60 4.464 -2.633 3.719 423 HB VAL 60 HB VAL 60 3.881 -1.639 6.489 424 HG11 VAL 60 1HG1 VAL 60 2.447 -3.260 4.434 425 HG12 VAL 60 2HG1 VAL 60 1.929 -1.797 5.269 426 HG13 VAL 60 3HG1 VAL 60 1.962 -3.338 6.127 427 HG21 VAL 60 3HG2 VAL 60 5.347 -3.414 7.063 428 HG22 VAL 60 1HG2 VAL 60 4.656 -4.473 5.833 429 HG23 VAL 60 2HG2 VAL 60 3.709 -4.037 7.255 430 H CYS 61 H CYS 61 2.717 -0.912 3.606 431 HA CYS 61 HA CYS 61 3.438 1.817 4.238 432 HB2 CYS 61 2HB CYS 61 3.576 0.794 1.421 433 HB3 CYS 61 1HB CYS 61 3.022 2.439 1.727 434 HG CYS 61 HG CYS 61 5.938 1.472 3.152 435 H LEU 62 H LEU 62 1.720 3.221 4.149 436 HA LEU 62 HA LEU 62 -0.898 1.960 3.772 437 HB2 LEU 62 2HB LEU 62 0.018 3.567 5.814 438 HB3 LEU 62 1HB LEU 62 -0.834 4.703 4.796 439 HG LEU 62 HG LEU 62 -2.465 4.090 6.323 440 HD11 LEU 62 1HD1 LEU 62 -4.165 3.244 5.072 441 HD12 LEU 62 2HD1 LEU 62 -3.203 1.897 4.467 442 HD13 LEU 62 3HD1 LEU 62 -2.995 3.507 3.778 443 HD21 LEU 62 3HD2 LEU 62 -1.801 2.432 7.675 444 HD22 LEU 62 1HD2 LEU 62 -1.040 1.523 6.369 445 HD23 LEU 62 2HD2 LEU 62 -2.786 1.432 6.610 446 H VAL 63 H VAL 63 -2.275 2.612 2.236 447 HA VAL 63 HA VAL 63 -1.600 4.984 0.669 448 HB VAL 63 HB VAL 63 -0.875 3.810 -1.083 449 HG11 VAL 63 1HG1 VAL 63 0.024 2.009 -0.024 450 HG12 VAL 63 2HG1 VAL 63 -1.151 1.206 -1.062 451 HG13 VAL 63 3HG1 VAL 63 -1.526 1.488 0.635 452 HG21 VAL 63 3HG2 VAL 63 -2.390 2.482 -2.450 453 HG22 VAL 63 1HG2 VAL 63 -3.128 3.995 -1.922 454 HG23 VAL 63 2HG2 VAL 63 -3.564 2.478 -1.135 455 H GLN 64 H GLN 64 -3.263 6.052 -0.252 456 HA GLN 64 HA GLN 64 -5.950 5.310 0.630 457 HB2 GLN 64 2HB GLN 64 -4.893 7.694 0.867 458 HB3 GLN 64 1HB GLN 64 -5.259 7.855 -0.844 459 HG2 GLN 64 2HG GLN 64 -7.371 8.384 -0.384 460 HG3 GLN 64 1HG GLN 64 -7.580 6.892 0.534 461 HE21 GLN 64 1HE2 GLN 64 -8.230 7.203 2.525 462 HE22 GLN 64 2HE2 GLN 64 -7.858 8.560 3.527 463 H PHE 65 H PHE 65 -7.640 4.986 -0.906 464 HA PHE 65 HA PHE 65 -6.636 4.405 -3.596 465 HB2 PHE 65 2HB PHE 65 -8.794 3.071 -1.969 466 HB3 PHE 65 1HB PHE 65 -8.440 2.690 -3.657 467 HD1 PHE 65 2HD PHE 65 -6.942 2.726 -0.246 468 HD2 PHE 65 1HD PHE 65 -6.706 1.286 -4.217 469 HE1 PHE 65 2HE PHE 65 -5.138 1.193 0.430 470 HE2 PHE 65 1HE PHE 65 -4.902 -0.252 -3.564 471 HZ PHE 65 HZ PHE 65 -4.127 -0.307 -1.239 472 H GLU 66 H GLU 66 -8.579 4.096 -5.195 473 HA GLU 66 HA GLU 66 -9.485 6.653 -5.892 474 HB2 GLU 66 2HB GLU 66 -9.354 4.129 -7.073 475 HB3 GLU 66 1HB GLU 66 -11.063 4.543 -7.086 476 HG2 GLU 66 2HG GLU 66 -10.339 5.383 -9.098 477 HG3 GLU 66 1HG GLU 66 -10.254 6.805 -8.057 478 H ASP 67 H ASP 67 -11.232 3.933 -4.368 479 HA ASP 67 HA ASP 67 -13.651 5.557 -4.254 480 HB2 ASP 67 2HB ASP 67 -13.636 3.107 -4.886 481 HB3 ASP 67 1HB ASP 67 -13.288 2.749 -3.202 482 H ASP 68 H ASP 68 -11.356 6.436 -2.748 483 HA ASP 68 HA ASP 68 -10.715 7.270 -0.747 484 HB2 ASP 68 2HB ASP 68 -13.670 7.495 -0.763 485 HB3 ASP 68 1HB ASP 68 -12.875 7.767 0.785 486 H SER 69 H SER 69 -9.996 4.830 -0.590 487 HA SER 69 HA SER 69 -10.921 3.839 2.028 488 HB2 SER 69 2HB SER 69 -11.363 2.432 -0.160 489 HB3 SER 69 1HB SER 69 -9.669 1.961 0.047 490 HG SER 69 HG SER 69 -10.549 0.539 1.343 491 H GLN 70 H GLN 70 -9.438 3.568 3.565 492 HA GLN 70 HA GLN 70 -6.616 3.933 2.854 493 HB2 GLN 70 2HB GLN 70 -8.242 4.556 5.245 494 HB3 GLN 70 1HB GLN 70 -6.648 3.900 5.589 495 HG2 GLN 70 2HG GLN 70 -6.987 6.184 3.684 496 HG3 GLN 70 1HG GLN 70 -6.937 6.448 5.426 497 HE21 GLN 70 1HE2 GLN 70 -5.137 5.875 2.601 498 HE22 GLN 70 2HE2 GLN 70 -3.567 5.807 3.330 499 H PHE 71 H PHE 71 -6.029 1.986 2.133 500 HA PHE 71 HA PHE 71 -6.401 -0.329 3.919 501 HB2 PHE 71 2HB PHE 71 -6.742 0.056 1.007 502 HB3 PHE 71 1HB PHE 71 -5.949 -1.440 1.461 503 HD1 PHE 71 1HD PHE 71 -8.412 -0.294 3.885 504 HD2 PHE 71 2HD PHE 71 -7.909 -2.400 0.219 505 HE1 PHE 71 1HE PHE 71 -10.622 -1.320 4.175 506 HE2 PHE 71 2HE PHE 71 -10.119 -3.434 0.510 507 HZ PHE 71 HZ PHE 71 -11.480 -2.893 2.488 508 H LEU 72 H LEU 72 -4.633 -1.126 4.779 509 HA LEU 72 HA LEU 72 -2.028 -0.189 4.030 510 HB2 LEU 72 2HB LEU 72 -1.399 -2.206 5.699 511 HB3 LEU 72 1HB LEU 72 -1.832 -0.603 6.246 512 HG LEU 72 HG LEU 72 -2.841 -2.418 7.582 513 HD11 LEU 72 1HD1 LEU 72 -4.323 -0.262 6.293 514 HD12 LEU 72 2HD1 LEU 72 -4.154 -0.674 7.999 515 HD13 LEU 72 3HD1 LEU 72 -5.332 -1.523 6.998 516 HD21 LEU 72 3HD2 LEU 72 -3.517 -3.501 5.043 517 HD22 LEU 72 1HD2 LEU 72 -5.010 -3.183 5.927 518 HD23 LEU 72 2HD2 LEU 72 -3.760 -4.200 6.643 519 H VAL 73 H VAL 73 -0.561 -1.103 2.818 520 HA VAL 73 HA VAL 73 -1.021 -3.861 1.862 521 HB VAL 73 HB VAL 73 0.297 -2.041 -0.066 522 HG11 VAL 73 1HG1 VAL 73 -0.246 -4.545 -0.303 523 HG12 VAL 73 2HG1 VAL 73 -0.549 -3.480 -1.674 524 HG13 VAL 73 3HG1 VAL 73 -1.887 -4.002 -0.648 525 HG21 VAL 73 3HG2 VAL 73 -1.754 -0.804 0.896 526 HG22 VAL 73 1HG2 VAL 73 -2.700 -1.996 0.006 527 HG23 VAL 73 2HG2 VAL 73 -1.589 -0.930 -0.853 528 H LEU 74 H LEU 74 0.722 -5.077 1.253 529 HA LEU 74 HA LEU 74 3.221 -4.440 2.592 530 HB2 LEU 74 2HB LEU 74 2.365 -6.928 1.089 531 HB3 LEU 74 1HB LEU 74 3.846 -6.763 2.002 532 HG LEU 74 HG LEU 74 2.452 -8.051 3.367 533 HD11 LEU 74 1HD1 LEU 74 2.344 -6.898 5.327 534 HD12 LEU 74 2HD1 LEU 74 1.735 -5.431 4.562 535 HD13 LEU 74 3HD1 LEU 74 3.435 -5.872 4.396 536 HD21 LEU 74 3HD2 LEU 74 0.236 -6.197 2.567 537 HD22 LEU 74 1HD2 LEU 74 0.101 -7.277 3.955 538 HD23 LEU 74 2HD2 LEU 74 0.355 -7.943 2.342 539 H TRP 75 H TRP 75 5.218 -4.270 1.558 540 HA TRP 75 HA TRP 75 5.297 -3.030 -0.951 541 HB2 TRP 75 2HB TRP 75 7.495 -4.344 0.644 542 HB3 TRP 75 1HB TRP 75 7.791 -3.454 -0.835 543 HD1 TRP 75 HD TRP 75 5.209 -1.995 1.573 544 HE1 TRP 75 1HE TRP 75 6.178 0.123 2.647 545 HE3 TRP 75 3HE TRP 75 10.066 -2.377 -0.043 546 HZ2 TRP 75 2HZ TRP 75 8.655 1.451 2.817 547 HZ3 TRP 75 3HZ TRP 75 11.665 -0.636 0.638 548 HH2 TRP 75 HH TRP 75 10.970 1.240 2.039 549 H LYS 76 H LYS 76 5.001 -6.350 -0.262 550 HA LYS 76 HA LYS 76 6.208 -7.279 -2.739 551 HB2 LYS 76 2HB LYS 76 5.256 -9.531 -1.976 552 HB3 LYS 76 1HB LYS 76 6.530 -8.821 -1.001 553 HG2 LYS 76 2HG LYS 76 5.121 -8.399 0.775 554 HG3 LYS 76 1HG LYS 76 3.681 -8.337 -0.244 555 HD2 LYS 76 2HD LYS 76 3.490 -10.641 -0.343 556 HD3 LYS 76 1HD LYS 76 5.199 -10.899 0.014 557 HE2 LYS 76 2HE LYS 76 3.603 -9.571 2.118 558 HE3 LYS 76 1HE LYS 76 3.241 -11.271 1.818 559 HZ1 LYS 76 3HZ LYS 76 4.933 -11.630 3.211 560 HZ2 LYS 76 1HZ LYS 76 5.564 -10.070 3.035 561 HZ3 LYS 76 2HZ LYS 76 5.929 -11.264 1.895 562 H ASP 77 H ASP 77 2.999 -6.640 -1.470 563 HA ASP 77 HA ASP 77 1.670 -7.700 -3.841 564 HB2 ASP 77 2HB ASP 77 0.862 -6.923 -1.126 565 HB3 ASP 77 1HB ASP 77 -0.294 -6.487 -2.373 566 H ILE 78 H ILE 78 3.342 -5.016 -3.362 567 HA ILE 78 HA ILE 78 1.421 -3.205 -4.643 568 HB ILE 78 HB ILE 78 3.945 -2.582 -3.101 569 HG12 ILE 78 2HG1 ILE 78 1.120 -1.717 -2.477 570 HG13 ILE 78 1HG1 ILE 78 1.746 -3.270 -1.937 571 HG21 ILE 78 1HG2 ILE 78 2.423 -0.956 -5.007 572 HG22 ILE 78 2HG2 ILE 78 4.048 -0.717 -4.367 573 HG23 ILE 78 3HG2 ILE 78 2.649 -0.193 -3.432 574 HD11 ILE 78 3HD1 ILE 78 3.630 -1.323 -1.196 575 HD12 ILE 78 1HD1 ILE 78 2.580 -2.293 -0.163 576 HD13 ILE 78 2HD1 ILE 78 2.035 -0.719 -0.747 577 H SER 79 H SER 79 1.800 -2.261 -6.549 578 HA SER 79 HA SER 79 4.332 -2.753 -7.955 579 HB2 SER 79 2HB SER 79 2.018 -4.110 -8.591 580 HB3 SER 79 1HB SER 79 1.947 -2.731 -9.693 581 HG SER 79 HG SER 79 3.157 -4.751 -10.331 582 HA PRO 80 HA PRO 80 3.842 1.819 -7.975 583 HB2 PRO 80 2HB PRO 80 6.184 1.424 -9.802 584 HB3 PRO 80 1HB PRO 80 5.950 2.618 -8.518 585 HG2 PRO 80 2HG PRO 80 7.481 0.529 -8.054 586 HG3 PRO 80 1HG PRO 80 6.310 1.047 -6.820 587 HD2 PRO 80 2HD PRO 80 6.151 -1.253 -8.738 588 HD3 PRO 80 1HD PRO 80 5.661 -1.169 -7.032 589 H ALA 81 H ALA 81 2.359 2.750 -9.162 590 HA ALA 81 HA ALA 81 1.682 1.858 -11.812 591 HB1 ALA 81 3HB ALA 81 0.451 4.305 -10.658 592 HB2 ALA 81 1HB ALA 81 0.188 2.777 -9.815 593 HB3 ALA 81 2HB ALA 81 -0.299 2.949 -11.501 594 H ALA 82 H ALA 82 0.892 4.058 -13.197 595 HA ALA 82 HA ALA 82 1.505 5.712 -14.616 596 HB1 ALA 82 3HB ALA 82 2.024 7.023 -12.607 597 HB2 ALA 82 1HB ALA 82 3.108 7.410 -13.944 598 HB3 ALA 82 2HB ALA 82 3.668 6.387 -12.620 599 H LEU 83 H LEU 83 2.574 5.735 -16.482 600 HA LEU 83 HA LEU 83 4.762 3.831 -16.832 601 HB2 LEU 83 2HB LEU 83 2.979 5.297 -18.772 602 HB3 LEU 83 1HB LEU 83 4.350 4.336 -19.288 603 HG LEU 83 HG LEU 83 3.024 2.537 -17.733 604 HD11 LEU 83 1HD1 LEU 83 0.840 3.958 -19.223 605 HD12 LEU 83 2HD1 LEU 83 1.191 4.308 -17.530 606 HD13 LEU 83 3HD1 LEU 83 0.706 2.683 -18.012 607 HD21 LEU 83 3HD2 LEU 83 3.895 2.086 -19.935 608 HD22 LEU 83 1HD2 LEU 83 2.660 3.108 -20.671 609 HD23 LEU 83 2HD2 LEU 83 2.200 1.605 -19.871 610 HA ALA 331 HA ALA 331 -21.667 -3.882 -6.826 611 HB1 ALA 331 3HB ALA 331 -22.909 -3.836 -4.080 612 HB2 ALA 331 1HB ALA 331 -22.380 -5.297 -4.914 613 HB3 ALA 331 2HB ALA 331 -23.678 -4.316 -5.593 614 H THR 332 H THR 332 -21.497 -1.666 -4.056 615 HA THR 332 HA THR 332 -22.793 0.410 -5.705 616 HB THR 332 HB THR 332 -22.692 0.926 -2.809 617 HG1 THR 332 1HG THR 332 -24.303 -0.564 -2.286 618 HG21 THR 332 1HG2 THR 332 -24.986 1.659 -3.199 619 HG22 THR 332 2HG2 THR 332 -24.941 0.978 -4.825 620 HG23 THR 332 3HG2 THR 332 -23.903 2.343 -4.410 621 H GLY 333 H GLY 333 -20.351 -0.112 -3.161 622 HA2 GLY 333 2HA GLY 333 -18.961 2.324 -4.095 623 HA3 GLY 333 1HA GLY 333 -18.892 1.721 -2.445 624 H GLY 334 H GLY 334 -17.134 2.037 -5.147 625 HA2 GLY 334 2HA GLY 334 -14.823 1.117 -4.876 626 HA3 GLY 334 1HA GLY 334 -15.599 -0.446 -4.673 627 H VAL 335 H VAL 335 -14.475 1.922 -6.902 628 HA VAL 335 HA VAL 335 -15.276 0.174 -9.124 629 HB VAL 335 HB VAL 335 -16.527 2.299 -9.169 630 HG11 VAL 335 1HG1 VAL 335 -15.534 4.424 -9.632 631 HG12 VAL 335 2HG1 VAL 335 -13.923 3.712 -9.710 632 HG13 VAL 335 3HG1 VAL 335 -14.790 3.763 -8.175 633 HG21 VAL 335 3HG2 VAL 335 -16.208 1.176 -11.253 634 HG22 VAL 335 1HG2 VAL 335 -14.611 1.895 -11.456 635 HG23 VAL 335 2HG2 VAL 335 -16.050 2.911 -11.527 636 H M3L 336 H M3L 336 -12.802 2.551 -8.100 637 HA M3L 336 HA M3L 336 -10.587 2.810 -8.562 638 HB2 M3L 336 1HB M3L 336 -9.193 0.923 -8.344 639 HB3 M3L 336 2HB M3L 336 -10.375 -0.148 -9.078 640 HG2 M3L 336 1HG M3L 336 -10.651 -0.781 -6.922 641 HG3 M3L 336 2HG M3L 336 -11.779 0.574 -6.945 642 HD2 M3L 336 1HD M3L 336 -9.540 1.892 -6.299 643 HD3 M3L 336 2HD M3L 336 -9.157 0.323 -5.605 644 HE2 M3L 336 1HE M3L 336 -11.862 1.441 -5.043 645 HE3 M3L 336 2HE M3L 336 -10.508 2.231 -4.271 646 HM11 M3L 336 1HM1 M3L 336 -8.934 -0.657 -3.805 647 HM12 M3L 336 2HM1 M3L 336 -9.519 -0.687 -2.188 648 HM13 M3L 336 3HM1 M3L 336 -8.915 0.783 -2.852 649 HM21 M3L 336 1HM2 M3L 336 -11.011 -1.553 -4.741 650 HM22 M3L 336 2HM2 M3L 336 -12.527 -0.758 -4.511 651 HM23 M3L 336 3HM2 M3L 336 -11.818 -1.649 -3.213 652 HM31 M3L 336 3HM3 M3L 336 -12.662 0.677 -2.482 653 HM32 M3L 336 1HM3 M3L 336 -11.429 1.872 -2.289 654 HM33 M3L 336 2HM3 M3L 336 -11.300 0.357 -1.475 655 H LYS 337 H LYS 337 -8.824 2.688 -10.166 656 HA LYS 337 HA LYS 337 -9.677 1.930 -12.866 657 HB2 LYS 337 2HB LYS 337 -8.836 4.095 -13.787 658 HB3 LYS 337 1HB LYS 337 -10.251 4.260 -12.764 659 HG2 LYS 337 2HG LYS 337 -8.377 4.723 -10.920 660 HG3 LYS 337 1HG LYS 337 -7.476 5.231 -12.348 661 HD2 LYS 337 2HD LYS 337 -9.958 6.418 -12.692 662 HD3 LYS 337 1HD LYS 337 -9.676 6.553 -10.954 663 HE2 LYS 337 2HE LYS 337 -7.606 7.353 -12.989 664 HE3 LYS 337 1HE LYS 337 -8.855 8.462 -12.431 665 HZ1 LYS 337 3HZ LYS 337 -7.928 8.633 -10.386 666 HZ2 LYS 337 1HZ LYS 337 -6.517 8.291 -11.256 667 HZ3 LYS 337 2HZ LYS 337 -7.299 7.064 -10.393 668 HA PRO 338 HA PRO 338 -5.058 1.080 -11.910 669 HB2 PRO 338 2HB PRO 338 -5.671 -1.717 -11.353 670 HB3 PRO 338 1HB PRO 338 -4.830 -0.546 -10.338 671 HG2 PRO 338 2HG PRO 338 -7.259 -1.492 -9.700 672 HG3 PRO 338 1HG PRO 338 -6.758 0.175 -9.344 673 HD2 PRO 338 2HD PRO 338 -8.402 -0.842 -11.657 674 HD3 PRO 338 1HD PRO 338 -8.747 0.516 -10.562 675 H HIS 339 H HIS 339 -4.041 -1.379 -12.550 676 HA HIS 339 HA HIS 339 -4.093 -1.362 -15.414 677 HB2 HIS 339 2HB HIS 339 -1.946 -1.826 -14.866 678 HB3 HIS 339 1HB HIS 339 -2.406 -2.284 -13.235 679 HD1 HIS 339 1HD HIS 339 -2.676 -4.007 -16.632 680 HD2 HIS 339 2HD HIS 339 -1.555 -4.704 -12.693 681 HE1 HIS 339 1HE HIS 339 -1.918 -6.398 -16.565 682 HE2 HIS 339 2HE HIS 339 -1.151 -6.778 -14.197 683 H ARG 340 H ARG 340 -5.018 -3.651 -12.864 684 HA ARG 340 HA ARG 340 -6.053 -5.667 -12.863 685 HB2 ARG 340 2HB ARG 340 -8.362 -5.621 -13.833 686 HB3 ARG 340 1HB ARG 340 -7.978 -4.308 -12.735 687 HG2 ARG 340 2HG ARG 340 -8.788 -2.936 -14.294 688 HG3 ARG 340 1HG ARG 340 -7.331 -3.303 -15.220 689 HD2 ARG 340 2HD ARG 340 -8.479 -5.143 -16.330 690 HD3 ARG 340 1HD ARG 340 -9.928 -4.827 -15.378 691 HE ARG 340 HE ARG 340 -10.292 -2.856 -16.621 692 HH11 ARG 340 1HH1 ARG 340 -7.510 -4.641 -17.813 693 HH12 ARG 340 2HH1 ARG 340 -7.490 -3.816 -19.336 694 HH21 ARG 340 1HH2 ARG 340 -10.247 -1.793 -18.621 695 HH22 ARG 340 2HH2 ARG 340 -9.038 -2.204 -19.791 696 H TYR 341 H TYR 341 -5.075 -7.357 -13.692 697 HA TYR 341 HA TYR 341 -4.871 -7.711 -16.574 698 HB2 TYR 341 2HB TYR 341 -3.517 -9.753 -15.942 699 HB3 TYR 341 1HB TYR 341 -2.852 -8.214 -15.417 700 HD1 TYR 341 1HD TYR 341 -2.884 -7.605 -13.022 701 HD2 TYR 341 2HD TYR 341 -4.239 -11.411 -14.360 702 HE1 TYR 341 1HE TYR 341 -2.740 -8.459 -10.721 703 HE2 TYR 341 2HE TYR 341 -4.100 -12.275 -12.062 704 HH TYR 341 HH TYR 341 -3.767 -10.288 -9.367 Start of MODEL 13 1 HA SER 5 HA SER 5 -26.530 -5.900 -35.731 2 HB2 SER 5 2HB SER 5 -25.488 -8.201 -35.504 3 HB3 SER 5 1HB SER 5 -27.154 -8.181 -36.080 4 HG SER 5 HG SER 5 -24.934 -9.126 -37.296 5 H ARG 6 H ARG 6 -24.393 -6.599 -38.472 6 HA ARG 6 HA ARG 6 -22.284 -5.990 -39.009 7 HB2 ARG 6 2HB ARG 6 -23.108 -3.823 -37.572 8 HB3 ARG 6 1HB ARG 6 -21.686 -4.315 -36.665 9 HG2 ARG 6 2HG ARG 6 -20.543 -4.386 -38.998 10 HG3 ARG 6 1HG ARG 6 -21.891 -3.357 -39.486 11 HD2 ARG 6 2HD ARG 6 -21.309 -1.723 -37.811 12 HD3 ARG 6 1HD ARG 6 -20.048 -2.777 -37.171 13 HE ARG 6 HE ARG 6 -19.318 -2.455 -39.752 14 HH11 ARG 6 1HH1 ARG 6 -20.111 -0.139 -37.231 15 HH12 ARG 6 2HH1 ARG 6 -19.066 1.085 -37.869 16 HH21 ARG 6 1HH2 ARG 6 -17.954 -0.838 -40.565 17 HH22 ARG 6 2HH2 ARG 6 -17.846 0.689 -39.755 18 H LEU 7 H LEU 7 -22.599 -6.550 -35.503 19 HA LEU 7 HA LEU 7 -21.481 -7.851 -34.025 20 HB2 LEU 7 2HB LEU 7 -21.809 -9.484 -36.087 21 HB3 LEU 7 1HB LEU 7 -20.062 -9.372 -36.168 22 HG LEU 7 HG LEU 7 -20.727 -9.911 -33.465 23 HD11 LEU 7 1HD1 LEU 7 -22.903 -10.679 -34.231 24 HD12 LEU 7 2HD1 LEU 7 -21.917 -12.037 -33.687 25 HD13 LEU 7 3HD1 LEU 7 -22.128 -11.736 -35.412 26 HD21 LEU 7 3HD2 LEU 7 -18.670 -10.556 -34.598 27 HD22 LEU 7 1HD2 LEU 7 -19.573 -11.668 -35.627 28 HD23 LEU 7 2HD2 LEU 7 -19.466 -11.962 -33.891 29 H SER 8 H SER 8 -19.312 -8.457 -33.171 30 HA SER 8 HA SER 8 -17.436 -6.300 -33.662 31 HB2 SER 8 2HB SER 8 -17.974 -8.213 -31.491 32 HB3 SER 8 1HB SER 8 -16.265 -7.858 -31.740 33 HG SER 8 HG SER 8 -16.576 -5.846 -31.116 34 H ARG 9 H ARG 9 -15.199 -6.598 -34.078 35 HA ARG 9 HA ARG 9 -14.650 -8.907 -35.786 36 HB2 ARG 9 2HB ARG 9 -14.177 -6.242 -36.159 37 HB3 ARG 9 1HB ARG 9 -12.610 -6.797 -35.587 38 HG2 ARG 9 2HG ARG 9 -12.991 -8.680 -37.388 39 HG3 ARG 9 1HG ARG 9 -14.064 -7.468 -38.093 40 HD2 ARG 9 2HD ARG 9 -12.230 -5.860 -38.133 41 HD3 ARG 9 1HD ARG 9 -11.159 -7.047 -37.392 42 HE ARG 9 HE ARG 9 -12.252 -7.180 -40.121 43 HH11 ARG 9 1HH1 ARG 9 -9.923 -8.299 -37.740 44 HH12 ARG 9 2HH1 ARG 9 -9.004 -9.203 -38.896 45 HH21 ARG 9 1HH2 ARG 9 -11.033 -8.372 -41.615 46 HH22 ARG 9 2HH2 ARG 9 -9.632 -9.242 -41.088 47 H SER 10 H SER 10 -13.386 -7.264 -32.922 48 HA SER 10 HA SER 10 -11.278 -9.267 -32.618 49 HB2 SER 10 2HB SER 10 -10.926 -6.736 -32.293 50 HB3 SER 10 1HB SER 10 -11.772 -6.948 -30.760 51 HG SER 10 HG SER 10 -10.030 -7.790 -29.958 52 H GLY 11 H GLY 11 -11.272 -10.825 -31.114 53 HA2 GLY 11 2HA GLY 11 -13.678 -11.114 -29.449 54 HA3 GLY 11 1HA GLY 11 -12.592 -12.414 -29.916 55 H ALA 12 H ALA 12 -10.370 -12.311 -29.004 56 HA ALA 12 HA ALA 12 -10.500 -11.502 -26.188 57 HB1 ALA 12 3HB ALA 12 -8.394 -13.271 -27.394 58 HB2 ALA 12 1HB ALA 12 -9.974 -13.897 -26.923 59 HB3 ALA 12 2HB ALA 12 -8.919 -13.165 -25.713 60 H SER 13 H SER 13 -9.326 -9.870 -25.429 61 HA SER 13 HA SER 13 -7.019 -8.915 -26.987 62 HB2 SER 13 2HB SER 13 -9.160 -7.507 -27.217 63 HB3 SER 13 1HB SER 13 -8.871 -7.025 -25.546 64 HG SER 13 HG SER 13 -7.550 -5.617 -26.352 65 H SER 14 H SER 14 -8.601 -9.090 -23.827 66 HA SER 14 HA SER 14 -6.171 -8.198 -22.481 67 HB2 SER 14 2HB SER 14 -7.606 -8.372 -20.406 68 HB3 SER 14 1HB SER 14 -8.172 -7.214 -21.609 69 HG SER 14 HG SER 14 -9.176 -9.739 -21.957 70 H LEU 15 H LEU 15 -4.656 -9.688 -22.267 71 HA LEU 15 HA LEU 15 -5.321 -12.210 -20.949 72 HB2 LEU 15 2HB LEU 15 -5.075 -12.343 -23.575 73 HB3 LEU 15 1HB LEU 15 -3.362 -12.293 -23.211 74 HG LEU 15 HG LEU 15 -4.607 -14.276 -21.554 75 HD11 LEU 15 1HD1 LEU 15 -6.359 -14.438 -23.187 76 HD12 LEU 15 2HD1 LEU 15 -5.292 -15.831 -23.358 77 HD13 LEU 15 3HD1 LEU 15 -5.186 -14.493 -24.502 78 HD21 LEU 15 3HD2 LEU 15 -2.225 -14.111 -22.253 79 HD22 LEU 15 1HD2 LEU 15 -2.716 -14.592 -23.878 80 HD23 LEU 15 2HD2 LEU 15 -2.941 -15.700 -22.524 81 H TRP 16 H TRP 16 -2.595 -10.329 -22.297 82 HA TRP 16 HA TRP 16 -1.263 -10.344 -19.704 83 HB2 TRP 16 2HB TRP 16 -0.473 -12.093 -21.830 84 HB3 TRP 16 1HB TRP 16 0.780 -10.875 -21.614 85 HD1 TRP 16 HD TRP 16 -0.780 -13.894 -19.930 86 HE1 TRP 16 1HE TRP 16 0.626 -14.543 -17.876 87 HE3 TRP 16 3HE TRP 16 2.342 -9.836 -19.750 88 HZ2 TRP 16 2HZ TRP 16 2.765 -13.484 -16.379 89 HZ3 TRP 16 3HZ TRP 16 4.039 -9.738 -17.972 90 HH2 TRP 16 HH TRP 16 4.244 -11.525 -16.322 91 H ASP 17 H ASP 17 -0.294 -8.447 -19.305 92 HA ASP 17 HA ASP 17 0.293 -6.666 -21.573 93 HB2 ASP 17 2HB ASP 17 -1.782 -6.225 -19.895 94 HB3 ASP 17 1HB ASP 17 -0.502 -5.378 -19.033 95 HA PRO 18 HA PRO 18 4.334 -6.912 -19.433 96 HB2 PRO 18 2HB PRO 18 5.218 -5.218 -21.682 97 HB3 PRO 18 1HB PRO 18 5.841 -6.779 -21.143 98 HG2 PRO 18 2HG PRO 18 4.433 -6.556 -23.405 99 HG3 PRO 18 1HG PRO 18 4.271 -7.974 -22.350 100 HD2 PRO 18 2HD PRO 18 2.459 -5.602 -22.626 101 HD3 PRO 18 1HD PRO 18 2.052 -7.325 -22.479 102 H ALA 19 H ALA 19 5.206 -5.582 -17.966 103 HA ALA 19 HA ALA 19 4.432 -2.741 -18.014 104 HB1 ALA 19 3HB ALA 19 4.606 -2.729 -15.629 105 HB2 ALA 19 1HB ALA 19 5.307 -4.348 -15.621 106 HB3 ALA 19 2HB ALA 19 3.626 -4.117 -16.101 107 H SER 20 H SER 20 7.092 -4.855 -18.280 108 HA SER 20 HA SER 20 9.326 -4.605 -18.529 109 HB2 SER 20 2HB SER 20 8.654 -1.670 -18.858 110 HB3 SER 20 1HB SER 20 10.226 -2.387 -19.207 111 HG SER 20 HG SER 20 7.965 -2.367 -20.707 112 HA PRO 21 HA PRO 21 10.435 -3.694 -14.248 113 HB2 PRO 21 2HB PRO 21 12.686 -5.172 -14.119 114 HB3 PRO 21 1HB PRO 21 11.077 -5.901 -14.097 115 HG2 PRO 21 2HG PRO 21 13.032 -5.685 -16.347 116 HG3 PRO 21 1HG PRO 21 11.964 -7.032 -15.914 117 HD2 PRO 21 2HD PRO 21 11.445 -5.206 -17.916 118 HD3 PRO 21 1HD PRO 21 10.204 -6.157 -17.078 119 H ALA 22 H ALA 22 11.875 -2.560 -17.021 120 HA ALA 22 HA ALA 22 13.314 -0.893 -17.548 121 HB1 ALA 22 3HB ALA 22 14.018 0.700 -15.701 122 HB2 ALA 22 1HB ALA 22 13.023 -0.277 -14.620 123 HB3 ALA 22 2HB ALA 22 12.286 0.544 -15.995 124 HA PRO 23 HA PRO 23 17.306 -2.815 -17.002 125 HB2 PRO 23 2HB PRO 23 18.838 -1.106 -18.436 126 HB3 PRO 23 1HB PRO 23 17.718 -2.245 -19.190 127 HG2 PRO 23 2HG PRO 23 17.374 0.680 -18.657 128 HG3 PRO 23 1HG PRO 23 16.927 -0.255 -20.096 129 HD2 PRO 23 2HD PRO 23 15.139 0.472 -18.167 130 HD3 PRO 23 1HD PRO 23 14.963 -0.988 -19.161 131 H THR 24 H THR 24 16.408 -0.005 -15.473 132 HA THR 24 HA THR 24 19.049 0.669 -14.422 133 HB THR 24 HB THR 24 17.676 2.422 -13.113 134 HG1 THR 24 1HG THR 24 15.640 1.256 -13.763 135 HG21 THR 24 1HG2 THR 24 18.046 2.431 -16.098 136 HG22 THR 24 2HG2 THR 24 19.046 3.196 -14.863 137 HG23 THR 24 3HG2 THR 24 17.447 3.843 -15.226 138 H SER 25 H SER 25 19.810 -0.291 -12.688 139 HA SER 25 HA SER 25 17.988 -1.047 -10.510 140 HB2 SER 25 2HB SER 25 18.773 -3.006 -12.053 141 HB3 SER 25 1HB SER 25 20.310 -2.821 -11.208 142 HG SER 25 HG SER 25 17.831 -3.153 -9.878 143 H GLY 26 H GLY 26 18.730 -0.649 -8.490 144 HA2 GLY 26 2HA GLY 26 21.100 -0.604 -7.312 145 HA3 GLY 26 1HA GLY 26 21.222 0.859 -8.278 146 HA PRO 27 HA PRO 27 19.285 2.282 -4.377 147 HB2 PRO 27 2HB PRO 27 20.508 4.684 -4.209 148 HB3 PRO 27 1HB PRO 27 21.296 3.183 -3.716 149 HG2 PRO 27 2HG PRO 27 21.676 4.802 -6.187 150 HG3 PRO 27 1HG PRO 27 22.864 3.871 -5.259 151 HD2 PRO 27 2HD PRO 27 21.631 3.038 -7.619 152 HD3 PRO 27 1HD PRO 27 22.461 1.982 -6.462 153 H ARG 28 H ARG 28 17.232 2.410 -5.327 154 HA ARG 28 HA ARG 28 16.433 5.111 -6.140 155 HB2 ARG 28 2HB ARG 28 16.155 2.619 -7.733 156 HB3 ARG 28 1HB ARG 28 14.745 3.666 -7.682 157 HG2 ARG 28 2HG ARG 28 15.724 4.608 -9.478 158 HG3 ARG 28 1HG ARG 28 16.654 5.482 -8.262 159 HD2 ARG 28 2HD ARG 28 18.419 3.784 -8.408 160 HD3 ARG 28 1HD ARG 28 17.487 2.931 -9.638 161 HE ARG 28 HE ARG 28 17.713 5.283 -10.803 162 HH11 ARG 28 1HH1 ARG 28 20.196 3.499 -9.075 163 HH12 ARG 28 2HH1 ARG 28 21.489 4.168 -10.012 164 HH21 ARG 28 1HH2 ARG 28 19.422 6.146 -12.016 165 HH22 ARG 28 2HH2 ARG 28 21.050 5.667 -11.675 166 HA PRO 29 HA PRO 29 13.244 4.302 -3.116 167 HB2 PRO 29 2HB PRO 29 11.489 6.284 -3.734 168 HB3 PRO 29 1HB PRO 29 13.010 6.573 -2.884 169 HG2 PRO 29 2HG PRO 29 12.342 6.979 -5.772 170 HG3 PRO 29 1HG PRO 29 13.302 8.004 -4.689 171 HD2 PRO 29 2HD PRO 29 14.413 6.303 -6.504 172 HD3 PRO 29 1HD PRO 29 15.202 6.742 -4.979 173 H ARG 30 H ARG 30 11.610 2.901 -3.022 174 HA ARG 30 HA ARG 30 10.011 2.414 -5.448 175 HB2 ARG 30 2HB ARG 30 11.558 0.638 -3.964 176 HB3 ARG 30 1HB ARG 30 9.906 0.289 -3.472 177 HG2 ARG 30 2HG ARG 30 9.380 0.212 -5.979 178 HG3 ARG 30 1HG ARG 30 11.128 0.109 -6.201 179 HD2 ARG 30 2HD ARG 30 11.120 -1.850 -4.642 180 HD3 ARG 30 1HD ARG 30 9.359 -1.794 -4.673 181 HE ARG 30 HE ARG 30 9.441 -2.349 -7.011 182 HH11 ARG 30 1HH1 ARG 30 12.507 -2.713 -5.335 183 HH12 ARG 30 2HH1 ARG 30 13.156 -3.794 -6.522 184 HH21 ARG 30 1HH2 ARG 30 10.314 -3.764 -8.551 185 HH22 ARG 30 2HH2 ARG 30 11.917 -4.386 -8.340 186 H LEU 31 H LEU 31 9.867 3.481 -2.221 187 HA LEU 31 HA LEU 31 6.953 3.646 -2.328 188 HB2 LEU 31 2HB LEU 31 8.495 2.024 -0.374 189 HB3 LEU 31 1HB LEU 31 7.212 3.008 0.288 190 HG LEU 31 HG LEU 31 6.145 0.981 -0.019 191 HD11 LEU 31 1HD1 LEU 31 5.596 1.997 -2.773 192 HD12 LEU 31 2HD1 LEU 31 5.074 2.894 -1.347 193 HD13 LEU 31 3HD1 LEU 31 4.504 1.247 -1.610 194 HD21 LEU 31 3HD2 LEU 31 7.765 0.642 -2.520 195 HD22 LEU 31 1HD2 LEU 31 6.407 -0.403 -2.103 196 HD23 LEU 31 2HD2 LEU 31 7.812 -0.319 -1.041 197 H TRP 32 H TRP 32 6.506 5.702 -2.086 198 HA TRP 32 HA TRP 32 7.711 7.252 0.067 199 HB2 TRP 32 2HB TRP 32 8.343 9.135 -1.383 200 HB3 TRP 32 1HB TRP 32 9.230 7.686 -1.824 201 HD1 TRP 32 HD TRP 32 8.052 6.336 -4.063 202 HE1 TRP 32 1HE TRP 32 7.183 7.414 -6.227 203 HE3 TRP 32 3HE TRP 32 7.396 11.137 -2.400 204 HZ2 TRP 32 2HZ TRP 32 6.338 9.947 -7.123 205 HZ3 TRP 32 3HZ TRP 32 6.555 12.823 -3.982 206 HH2 TRP 32 HH TRP 32 6.038 12.239 -6.294 207 H GLU 33 H GLU 33 6.585 9.352 0.410 208 HA GLU 33 HA GLU 33 3.776 9.020 0.407 209 HB2 GLU 33 2HB GLU 33 5.632 11.247 1.144 210 HB3 GLU 33 1HB GLU 33 3.906 11.563 1.052 211 HG2 GLU 33 2HG GLU 33 3.555 9.677 2.648 212 HG3 GLU 33 1HG GLU 33 5.306 9.586 2.832 213 H GLY 34 H GLY 34 2.435 9.215 -1.235 214 HA2 GLY 34 2HA GLY 34 1.273 10.463 -2.872 215 HA3 GLY 34 1HA GLY 34 2.704 11.451 -3.112 216 H GLN 35 H GLN 35 2.818 7.962 -2.973 217 HA GLN 35 HA GLN 35 3.680 7.909 -5.777 218 HB2 GLN 35 2HB GLN 35 5.406 6.957 -4.545 219 HB3 GLN 35 1HB GLN 35 4.319 6.296 -3.334 220 HG2 GLN 35 2HG GLN 35 4.592 4.296 -4.281 221 HG3 GLN 35 1HG GLN 35 3.731 4.909 -5.698 222 HE21 GLN 35 1HE2 GLN 35 6.159 3.117 -5.046 223 HE22 GLN 35 2HE2 GLN 35 7.335 3.615 -6.200 224 H ASP 36 H ASP 36 2.264 7.195 -7.245 225 HA ASP 36 HA ASP 36 -0.200 5.943 -6.496 226 HB2 ASP 36 2HB ASP 36 1.069 6.422 -9.194 227 HB3 ASP 36 1HB ASP 36 -0.493 5.646 -9.000 228 H VAL 37 H VAL 37 -0.279 3.977 -5.789 229 HA VAL 37 HA VAL 37 1.579 1.961 -6.852 230 HB VAL 37 HB VAL 37 1.159 0.751 -4.696 231 HG11 VAL 37 1HG1 VAL 37 2.695 2.122 -3.388 232 HG12 VAL 37 2HG1 VAL 37 2.405 3.479 -4.474 233 HG13 VAL 37 3HG1 VAL 37 3.192 2.022 -5.076 234 HG21 VAL 37 3HG2 VAL 37 0.064 1.698 -2.868 235 HG22 VAL 37 1HG2 VAL 37 -0.977 2.145 -4.217 236 HG23 VAL 37 2HG2 VAL 37 0.137 3.328 -3.536 237 H LEU 38 H LEU 38 0.862 -0.253 -6.740 238 HA LEU 38 HA LEU 38 -2.010 -0.563 -7.269 239 HB2 LEU 38 2HB LEU 38 0.344 -1.942 -8.543 240 HB3 LEU 38 1HB LEU 38 -1.314 -2.469 -8.754 241 HG LEU 38 HG LEU 38 -0.360 0.293 -9.507 242 HD11 LEU 38 1HD1 LEU 38 -0.109 -2.270 -10.941 243 HD12 LEU 38 2HD1 LEU 38 0.850 -0.794 -11.065 244 HD13 LEU 38 3HD1 LEU 38 -0.713 -0.902 -11.876 245 HD21 LEU 38 3HD2 LEU 38 -2.518 -0.553 -11.071 246 HD22 LEU 38 1HD2 LEU 38 -2.529 0.657 -9.789 247 HD23 LEU 38 2HD2 LEU 38 -2.907 -1.022 -9.415 248 H ALA 39 H ALA 39 -2.742 -1.262 -5.454 249 HA ALA 39 HA ALA 39 -1.318 -3.258 -3.875 250 HB1 ALA 39 3HB ALA 39 -2.429 -2.397 -2.096 251 HB2 ALA 39 1HB ALA 39 -3.941 -2.227 -2.978 252 HB3 ALA 39 2HB ALA 39 -2.670 -1.020 -3.164 253 H ARG 40 H ARG 40 -1.625 -5.260 -4.627 254 HA ARG 40 HA ARG 40 -3.968 -6.162 -5.998 255 HB2 ARG 40 2HB ARG 40 -1.351 -7.018 -5.726 256 HB3 ARG 40 1HB ARG 40 -2.249 -8.208 -4.812 257 HG2 ARG 40 2HG ARG 40 -3.490 -8.893 -6.683 258 HG3 ARG 40 1HG ARG 40 -3.016 -7.475 -7.613 259 HD2 ARG 40 2HD ARG 40 -1.052 -9.547 -6.670 260 HD3 ARG 40 1HD ARG 40 -1.873 -9.639 -8.225 261 HE ARG 40 HE ARG 40 -0.788 -7.488 -8.769 262 HH11 ARG 40 1HH1 ARG 40 0.647 -9.465 -6.242 263 HH12 ARG 40 2HH1 ARG 40 2.223 -8.774 -6.441 264 HH21 ARG 40 1HH2 ARG 40 1.284 -6.602 -9.009 265 HH22 ARG 40 2HH2 ARG 40 2.582 -7.157 -8.006 266 H TRP 41 H TRP 41 -5.789 -7.077 -5.170 267 HA TRP 41 HA TRP 41 -5.783 -7.673 -2.291 268 HB2 TRP 41 2HB TRP 41 -7.266 -5.783 -3.251 269 HB3 TRP 41 1HB TRP 41 -8.321 -7.083 -3.803 270 HD1 TRP 41 HD TRP 41 -9.691 -8.413 -1.928 271 HE1 TRP 41 1HE TRP 41 -10.162 -7.950 0.555 272 HE3 TRP 41 3HE TRP 41 -6.179 -4.779 -1.083 273 HZ2 TRP 41 2HZ TRP 41 -9.176 -6.288 2.605 274 HZ3 TRP 41 3HZ TRP 41 -6.006 -3.818 1.173 275 HH2 TRP 41 HH TRP 41 -7.475 -4.557 2.979 276 H THR 42 H THR 42 -7.439 -9.266 -1.574 277 HA THR 42 HA THR 42 -6.870 -11.805 -2.707 278 HB THR 42 HB THR 42 -8.350 -12.698 -0.942 279 HG1 THR 42 1HG THR 42 -9.089 -10.934 0.582 280 HG21 THR 42 1HG2 THR 42 -5.954 -11.968 -0.521 281 HG22 THR 42 2HG2 THR 42 -6.991 -12.098 0.900 282 HG23 THR 42 3HG2 THR 42 -6.629 -10.514 0.211 283 H ASP 43 H ASP 43 -9.201 -9.603 -3.696 284 HA ASP 43 HA ASP 43 -11.275 -11.541 -4.300 285 HB2 ASP 43 2HB ASP 43 -12.359 -9.518 -5.455 286 HB3 ASP 43 1HB ASP 43 -12.185 -9.452 -3.703 287 H GLY 44 H GLY 44 -8.382 -10.889 -5.635 288 HA2 GLY 44 2HA GLY 44 -7.544 -11.861 -7.602 289 HA3 GLY 44 1HA GLY 44 -9.185 -11.969 -8.216 290 H LEU 45 H LEU 45 -9.410 -9.022 -7.268 291 HA LEU 45 HA LEU 45 -8.435 -7.878 -9.770 292 HB2 LEU 45 2HB LEU 45 -10.503 -6.994 -7.777 293 HB3 LEU 45 1HB LEU 45 -9.927 -5.941 -9.060 294 HG LEU 45 HG LEU 45 -10.838 -8.593 -9.960 295 HD11 LEU 45 1HD1 LEU 45 -13.224 -7.922 -9.814 296 HD12 LEU 45 2HD1 LEU 45 -12.742 -6.610 -8.739 297 HD13 LEU 45 3HD1 LEU 45 -12.483 -8.286 -8.257 298 HD21 LEU 45 3HD2 LEU 45 -11.953 -7.179 -11.663 299 HD22 LEU 45 1HD2 LEU 45 -10.215 -6.911 -11.555 300 HD23 LEU 45 2HD2 LEU 45 -11.332 -5.752 -10.836 301 H LEU 46 H LEU 46 -7.351 -5.898 -9.833 302 HA LEU 46 HA LEU 46 -5.473 -5.463 -7.675 303 HB2 LEU 46 2HB LEU 46 -4.853 -5.519 -10.110 304 HB3 LEU 46 1HB LEU 46 -5.813 -4.073 -10.339 305 HG LEU 46 HG LEU 46 -4.233 -2.855 -8.848 306 HD11 LEU 46 1HD1 LEU 46 -2.004 -4.613 -9.121 307 HD12 LEU 46 2HD1 LEU 46 -3.299 -5.461 -8.283 308 HD13 LEU 46 3HD1 LEU 46 -2.702 -3.932 -7.649 309 HD21 LEU 46 3HD2 LEU 46 -3.819 -2.407 -11.033 310 HD22 LEU 46 1HD2 LEU 46 -3.576 -4.098 -11.453 311 HD23 LEU 46 2HD2 LEU 46 -2.303 -3.203 -10.628 312 H TYR 47 H TYR 47 -4.976 -3.155 -7.022 313 HA TYR 47 HA TYR 47 -7.354 -1.427 -6.899 314 HB2 TYR 47 2HB TYR 47 -5.681 -2.349 -4.550 315 HB3 TYR 47 1HB TYR 47 -6.657 -0.896 -4.489 316 HD1 TYR 47 1HD TYR 47 -8.723 -3.022 -6.302 317 HD2 TYR 47 2HD TYR 47 -7.095 -2.600 -2.396 318 HE1 TYR 47 1HE TYR 47 -10.599 -4.304 -5.393 319 HE2 TYR 47 2HE TYR 47 -8.970 -3.890 -1.479 320 HH TYR 47 HH TYR 47 -11.053 -5.708 -3.360 321 H LEU 48 H LEU 48 -6.838 0.616 -7.444 322 HA LEU 48 HA LEU 48 -4.014 1.351 -7.593 323 HB2 LEU 48 2HB LEU 48 -5.307 1.725 -9.599 324 HB3 LEU 48 1HB LEU 48 -6.495 2.660 -8.719 325 HG LEU 48 HG LEU 48 -4.570 4.315 -8.256 326 HD11 LEU 48 1HD1 LEU 48 -2.709 2.918 -8.921 327 HD12 LEU 48 2HD1 LEU 48 -2.803 4.333 -9.969 328 HD13 LEU 48 3HD1 LEU 48 -3.370 2.767 -10.549 329 HD21 LEU 48 3HD2 LEU 48 -4.814 5.204 -10.681 330 HD22 LEU 48 1HD2 LEU 48 -6.238 5.100 -9.645 331 HD23 LEU 48 2HD2 LEU 48 -5.946 3.863 -10.869 332 H GLY 49 H GLY 49 -3.080 2.870 -6.362 333 HA2 GLY 49 2HA GLY 49 -4.697 4.663 -4.743 334 HA3 GLY 49 1HA GLY 49 -3.806 3.452 -3.852 335 H THR 50 H THR 50 -3.195 5.754 -3.038 336 HA THR 50 HA THR 50 -0.563 6.367 -4.198 337 HB THR 50 HB THR 50 -1.667 8.697 -2.880 338 HG1 THR 50 1HG THR 50 -3.667 8.255 -3.667 339 HG21 THR 50 1HG2 THR 50 0.318 8.559 -4.402 340 HG22 THR 50 2HG2 THR 50 -0.835 9.822 -4.834 341 HG23 THR 50 3HG2 THR 50 -0.796 8.313 -5.746 342 H ILE 51 H ILE 51 1.042 6.614 -2.741 343 HA ILE 51 HA ILE 51 0.639 5.450 -0.186 344 HB ILE 51 HB ILE 51 3.107 6.752 -1.335 345 HG12 ILE 51 2HG1 ILE 51 2.202 4.833 -2.628 346 HG13 ILE 51 1HG1 ILE 51 3.789 4.504 -1.954 347 HG21 ILE 51 1HG2 ILE 51 3.481 6.679 1.007 348 HG22 ILE 51 2HG2 ILE 51 4.321 5.281 0.336 349 HG23 ILE 51 3HG2 ILE 51 2.769 5.070 1.145 350 HD11 ILE 51 3HD1 ILE 51 1.978 3.585 -0.040 351 HD12 ILE 51 1HD1 ILE 51 2.941 2.616 -1.145 352 HD13 ILE 51 2HD1 ILE 51 1.315 3.092 -1.595 353 H LYS 52 H LYS 52 -0.101 6.319 1.528 354 HA LYS 52 HA LYS 52 0.156 9.195 2.015 355 HB2 LYS 52 2HB LYS 52 -1.915 7.355 2.436 356 HB3 LYS 52 1HB LYS 52 -1.311 7.734 4.042 357 HG2 LYS 52 2HG LYS 52 -1.507 10.191 3.308 358 HG3 LYS 52 1HG LYS 52 -2.523 9.566 2.008 359 HD2 LYS 52 2HD LYS 52 -3.995 8.524 3.668 360 HD3 LYS 52 1HD LYS 52 -2.976 9.156 4.965 361 HE2 LYS 52 2HE LYS 52 -3.434 11.459 3.947 362 HE3 LYS 52 1HE LYS 52 -4.724 10.666 3.047 363 HZ1 LYS 52 3HZ LYS 52 -4.877 9.954 5.774 364 HZ2 LYS 52 1HZ LYS 52 -6.021 10.758 4.822 365 HZ3 LYS 52 2HZ LYS 52 -4.830 11.639 5.637 366 H LYS 53 H LYS 53 1.296 6.108 3.137 367 HA LYS 53 HA LYS 53 3.192 7.403 4.918 368 HB2 LYS 53 2HB LYS 53 0.903 6.429 6.069 369 HB3 LYS 53 1HB LYS 53 1.969 5.036 6.179 370 HG2 LYS 53 2HG LYS 53 3.336 6.016 7.702 371 HG3 LYS 53 1HG LYS 53 3.095 7.634 7.048 372 HD2 LYS 53 2HD LYS 53 0.735 6.367 8.310 373 HD3 LYS 53 1HD LYS 53 2.055 6.817 9.390 374 HE2 LYS 53 2HE LYS 53 1.808 9.063 8.979 375 HE3 LYS 53 1HE LYS 53 1.145 8.801 7.366 376 HZ1 LYS 53 3HZ LYS 53 -0.280 9.413 9.607 377 HZ2 LYS 53 1HZ LYS 53 -0.543 7.751 9.424 378 HZ3 LYS 53 2HZ LYS 53 -0.918 8.811 8.161 379 H VAL 54 H VAL 54 4.891 5.897 5.645 380 HA VAL 54 HA VAL 54 5.176 3.511 3.963 381 HB VAL 54 HB VAL 54 7.239 5.728 4.140 382 HG11 VAL 54 1HG1 VAL 54 8.119 3.283 4.277 383 HG12 VAL 54 2HG1 VAL 54 8.857 4.402 3.129 384 HG13 VAL 54 3HG1 VAL 54 7.679 3.214 2.571 385 HG21 VAL 54 3HG2 VAL 54 6.983 5.971 1.806 386 HG22 VAL 54 1HG2 VAL 54 5.349 5.886 2.459 387 HG23 VAL 54 2HG2 VAL 54 6.058 4.477 1.673 388 H ASP 55 H ASP 55 6.073 1.831 4.916 389 HA ASP 55 HA ASP 55 7.357 2.158 7.543 390 HB2 ASP 55 2HB ASP 55 5.151 0.335 6.675 391 HB3 ASP 55 1HB ASP 55 6.347 -0.314 7.799 392 H SER 56 H SER 56 9.340 2.241 6.326 393 HA SER 56 HA SER 56 10.215 0.075 4.684 394 HB2 SER 56 2HB SER 56 12.450 1.238 4.853 395 HB3 SER 56 1HB SER 56 11.130 2.238 4.251 396 HG SER 56 HG SER 56 12.458 2.327 6.719 397 H ALA 57 H ALA 57 9.915 0.293 8.009 398 HA ALA 57 HA ALA 57 12.251 -1.281 8.703 399 HB1 ALA 57 3HB ALA 57 11.189 -1.238 11.003 400 HB2 ALA 57 1HB ALA 57 9.959 -0.182 10.308 401 HB3 ALA 57 2HB ALA 57 11.648 0.324 10.324 402 H ARG 58 H ARG 58 8.762 -1.746 8.388 403 HA ARG 58 HA ARG 58 9.106 -4.630 8.861 404 HB2 ARG 58 2HB ARG 58 7.412 -3.027 10.150 405 HB3 ARG 58 1HB ARG 58 6.397 -3.387 8.762 406 HG2 ARG 58 2HG ARG 58 6.600 -5.777 9.229 407 HG3 ARG 58 1HG ARG 58 7.630 -5.419 10.617 408 HD2 ARG 58 2HD ARG 58 5.883 -4.790 11.908 409 HD3 ARG 58 1HD ARG 58 5.049 -4.004 10.567 410 HE ARG 58 HE ARG 58 5.007 -6.832 10.293 411 HH11 ARG 58 1HH1 ARG 58 3.448 -4.218 12.046 412 HH12 ARG 58 2HH1 ARG 58 1.975 -5.100 12.277 413 HH21 ARG 58 1HH2 ARG 58 3.071 -7.966 10.610 414 HH22 ARG 58 2HH2 ARG 58 1.763 -7.219 11.465 415 H GLU 59 H GLU 59 9.263 -2.714 6.321 416 HA GLU 59 HA GLU 59 8.923 -2.836 4.079 417 HB2 GLU 59 2HB GLU 59 8.668 -5.748 4.815 418 HB3 GLU 59 1HB GLU 59 8.521 -5.209 3.148 419 HG2 GLU 59 2HG GLU 59 10.897 -4.330 4.701 420 HG3 GLU 59 1HG GLU 59 10.824 -6.008 4.154 421 H VAL 60 H VAL 60 6.812 -1.810 5.342 422 HA VAL 60 HA VAL 60 4.548 -2.699 3.695 423 HB VAL 60 HB VAL 60 4.044 -1.714 6.492 424 HG11 VAL 60 1HG1 VAL 60 2.023 -1.704 5.448 425 HG12 VAL 60 2HG1 VAL 60 2.033 -3.357 6.061 426 HG13 VAL 60 3HG1 VAL 60 2.445 -3.038 4.379 427 HG21 VAL 60 3HG2 VAL 60 5.511 -3.703 6.690 428 HG22 VAL 60 1HG2 VAL 60 4.306 -4.631 5.800 429 HG23 VAL 60 2HG2 VAL 60 3.903 -3.946 7.373 430 H CYS 61 H CYS 61 2.837 -0.945 3.535 431 HA CYS 61 HA CYS 61 3.641 1.778 4.123 432 HB2 CYS 61 2HB CYS 61 3.666 0.699 1.320 433 HB3 CYS 61 1HB CYS 61 3.196 2.372 1.615 434 HG CYS 61 HG CYS 61 6.235 0.946 1.807 435 H LEU 62 H LEU 62 1.964 3.209 4.117 436 HA LEU 62 HA LEU 62 -0.706 2.043 3.828 437 HB2 LEU 62 2HB LEU 62 0.328 3.635 5.805 438 HB3 LEU 62 1HB LEU 62 -0.473 4.812 4.793 439 HG LEU 62 HG LEU 62 -2.098 4.323 6.371 440 HD11 LEU 62 1HD1 LEU 62 -2.777 3.784 3.883 441 HD12 LEU 62 2HD1 LEU 62 -3.892 3.496 5.217 442 HD13 LEU 62 3HD1 LEU 62 -2.978 2.155 4.528 443 HD21 LEU 62 3HD2 LEU 62 -2.570 1.700 6.725 444 HD22 LEU 62 1HD2 LEU 62 -1.480 2.653 7.733 445 HD23 LEU 62 2HD2 LEU 62 -0.833 1.673 6.417 446 H VAL 63 H VAL 63 -2.118 2.713 2.318 447 HA VAL 63 HA VAL 63 -1.419 5.026 0.674 448 HB VAL 63 HB VAL 63 -0.763 3.793 -1.068 449 HG11 VAL 63 1HG1 VAL 63 -1.481 1.492 0.670 450 HG12 VAL 63 2HG1 VAL 63 0.098 2.008 0.077 451 HG13 VAL 63 3HG1 VAL 63 -1.040 1.220 -1.013 452 HG21 VAL 63 3HG2 VAL 63 -3.479 2.513 -1.034 453 HG22 VAL 63 1HG2 VAL 63 -2.339 2.492 -2.378 454 HG23 VAL 63 2HG2 VAL 63 -3.045 4.018 -1.844 455 H GLN 64 H GLN 64 -3.076 6.117 -0.232 456 HA GLN 64 HA GLN 64 -5.759 5.508 0.743 457 HB2 GLN 64 2HB GLN 64 -4.632 7.861 0.784 458 HB3 GLN 64 1HB GLN 64 -5.010 7.912 -0.931 459 HG2 GLN 64 2HG GLN 64 -7.102 8.541 -0.498 460 HG3 GLN 64 1HG GLN 64 -7.350 7.142 0.549 461 HE21 GLN 64 1HE2 GLN 64 -7.880 7.608 2.547 462 HE22 GLN 64 2HE2 GLN 64 -7.468 9.048 3.410 463 H PHE 65 H PHE 65 -7.517 5.147 -0.719 464 HA PHE 65 HA PHE 65 -6.621 4.357 -3.395 465 HB2 PHE 65 2HB PHE 65 -8.689 3.163 -1.563 466 HB3 PHE 65 1HB PHE 65 -8.486 2.676 -3.248 467 HD1 PHE 65 2HD PHE 65 -6.828 2.765 0.061 468 HD2 PHE 65 1HD PHE 65 -6.711 1.330 -3.918 469 HE1 PHE 65 2HE PHE 65 -5.004 1.229 0.679 470 HE2 PHE 65 1HE PHE 65 -4.887 -0.207 -3.323 471 HZ PHE 65 HZ PHE 65 -4.044 -0.265 -1.023 472 H GLU 66 H GLU 66 -8.505 4.047 -4.965 473 HA GLU 66 HA GLU 66 -9.432 6.518 -5.817 474 HB2 GLU 66 2HB GLU 66 -9.206 4.154 -6.967 475 HB3 GLU 66 1HB GLU 66 -10.918 4.055 -6.579 476 HG2 GLU 66 2HG GLU 66 -11.005 4.931 -8.686 477 HG3 GLU 66 1HG GLU 66 -11.008 6.407 -7.720 478 H ASP 67 H ASP 67 -11.254 3.970 -4.076 479 HA ASP 67 HA ASP 67 -13.595 5.699 -3.977 480 HB2 ASP 67 2HB ASP 67 -13.759 3.268 -4.501 481 HB3 ASP 67 1HB ASP 67 -13.223 2.907 -2.870 482 H ASP 68 H ASP 68 -11.255 6.619 -2.592 483 HA ASP 68 HA ASP 68 -10.516 7.516 -0.650 484 HB2 ASP 68 2HB ASP 68 -13.478 7.818 -0.540 485 HB3 ASP 68 1HB ASP 68 -12.565 8.214 0.913 486 H SER 69 H SER 69 -9.902 5.061 -0.413 487 HA SER 69 HA SER 69 -10.790 4.205 2.263 488 HB2 SER 69 2HB SER 69 -11.351 2.749 0.134 489 HB3 SER 69 1HB SER 69 -9.673 2.215 0.310 490 HG SER 69 HG SER 69 -11.649 1.192 1.539 491 H GLN 70 H GLN 70 -9.271 4.009 3.770 492 HA GLN 70 HA GLN 70 -6.461 4.236 2.971 493 HB2 GLN 70 2HB GLN 70 -8.012 5.001 5.364 494 HB3 GLN 70 1HB GLN 70 -6.450 4.276 5.719 495 HG2 GLN 70 2HG GLN 70 -6.718 6.537 3.768 496 HG3 GLN 70 1HG GLN 70 -6.585 6.817 5.504 497 HE21 GLN 70 1HE2 GLN 70 -4.932 6.091 2.618 498 HE22 GLN 70 2HE2 GLN 70 -3.340 5.955 3.290 499 H PHE 71 H PHE 71 -5.959 2.237 2.295 500 HA PHE 71 HA PHE 71 -6.344 0.008 4.186 501 HB2 PHE 71 2HB PHE 71 -6.790 0.287 1.278 502 HB3 PHE 71 1HB PHE 71 -6.033 -1.218 1.765 503 HD1 PHE 71 1HD PHE 71 -8.354 0.132 4.230 504 HD2 PHE 71 2HD PHE 71 -8.075 -2.171 0.658 505 HE1 PHE 71 1HE PHE 71 -10.582 -0.799 4.658 506 HE2 PHE 71 2HE PHE 71 -10.304 -3.107 1.091 507 HZ PHE 71 HZ PHE 71 -11.562 -2.421 3.089 508 H LEU 72 H LEU 72 -4.584 -0.843 4.996 509 HA LEU 72 HA LEU 72 -1.976 -0.007 4.165 510 HB2 LEU 72 2HB LEU 72 -1.360 -2.017 5.838 511 HB3 LEU 72 1HB LEU 72 -1.750 -0.403 6.380 512 HG LEU 72 HG LEU 72 -2.766 -2.192 7.749 513 HD11 LEU 72 1HD1 LEU 72 -5.250 -1.220 7.164 514 HD12 LEU 72 2HD1 LEU 72 -4.178 0.024 6.521 515 HD13 LEU 72 3HD1 LEU 72 -4.057 -0.456 8.213 516 HD21 LEU 72 3HD2 LEU 72 -4.995 -3.033 6.409 517 HD22 LEU 72 1HD2 LEU 72 -3.534 -3.988 6.664 518 HD23 LEU 72 2HD2 LEU 72 -3.756 -3.104 5.155 519 H VAL 73 H VAL 73 -0.551 -0.976 2.948 520 HA VAL 73 HA VAL 73 -1.044 -3.749 2.067 521 HB VAL 73 HB VAL 73 0.164 -1.983 0.018 522 HG11 VAL 73 1HG1 VAL 73 -2.042 -3.928 -0.465 523 HG12 VAL 73 2HG1 VAL 73 -0.435 -4.520 -0.046 524 HG13 VAL 73 3HG1 VAL 73 -0.657 -3.518 -1.478 525 HG21 VAL 73 3HG2 VAL 73 -2.823 -1.956 0.134 526 HG22 VAL 73 1HG2 VAL 73 -1.719 -0.857 -0.691 527 HG23 VAL 73 2HG2 VAL 73 -1.906 -0.768 1.058 528 H LEU 74 H LEU 74 0.720 -4.953 1.432 529 HA LEU 74 HA LEU 74 3.245 -4.108 2.605 530 HB2 LEU 74 2HB LEU 74 1.875 -6.600 2.292 531 HB3 LEU 74 1HB LEU 74 3.440 -6.706 1.514 532 HG LEU 74 HG LEU 74 4.314 -5.706 3.778 533 HD11 LEU 74 1HD1 LEU 74 2.143 -5.278 4.738 534 HD12 LEU 74 2HD1 LEU 74 2.986 -6.508 5.680 535 HD13 LEU 74 3HD1 LEU 74 1.702 -6.975 4.565 536 HD21 LEU 74 3HD2 LEU 74 5.081 -7.813 3.076 537 HD22 LEU 74 1HD2 LEU 74 3.489 -8.545 3.256 538 HD23 LEU 74 2HD2 LEU 74 4.409 -8.077 4.684 539 H TRP 75 H TRP 75 5.212 -4.237 1.521 540 HA TRP 75 HA TRP 75 5.264 -3.194 -1.073 541 HB2 TRP 75 2HB TRP 75 7.476 -4.539 0.485 542 HB3 TRP 75 1HB TRP 75 7.719 -3.638 -0.998 543 HD1 TRP 75 HD TRP 75 5.287 -2.161 1.557 544 HE1 TRP 75 1HE TRP 75 6.340 -0.072 2.606 545 HE3 TRP 75 3HE TRP 75 10.049 -2.586 -0.316 546 HZ2 TRP 75 2HZ TRP 75 8.835 1.220 2.666 547 HZ3 TRP 75 3HZ TRP 75 11.702 -0.871 0.304 548 HH2 TRP 75 HH TRP 75 11.104 0.993 1.767 549 H LYS 76 H LYS 76 4.785 -6.429 -0.115 550 HA LYS 76 HA LYS 76 5.901 -7.644 -2.504 551 HB2 LYS 76 2HB LYS 76 4.870 -9.747 -1.641 552 HB3 LYS 76 1HB LYS 76 5.974 -8.984 -0.514 553 HG2 LYS 76 2HG LYS 76 4.375 -8.681 1.037 554 HG3 LYS 76 1HG LYS 76 3.168 -8.204 -0.158 555 HD2 LYS 76 2HD LYS 76 3.031 -10.658 -0.791 556 HD3 LYS 76 1HD LYS 76 3.978 -10.983 0.664 557 HE2 LYS 76 2HE LYS 76 2.076 -9.410 1.717 558 HE3 LYS 76 1HE LYS 76 1.166 -10.109 0.379 559 HZ1 LYS 76 3HZ LYS 76 1.454 -11.265 2.776 560 HZ2 LYS 76 1HZ LYS 76 2.712 -12.006 1.920 561 HZ3 LYS 76 2HZ LYS 76 1.123 -12.113 1.350 562 H ASP 77 H ASP 77 2.714 -6.705 -1.330 563 HA ASP 77 HA ASP 77 1.377 -7.718 -3.717 564 HB2 ASP 77 2HB ASP 77 0.559 -6.883 -1.023 565 HB3 ASP 77 1HB ASP 77 -0.552 -6.405 -2.298 566 H ILE 78 H ILE 78 3.123 -5.042 -3.126 567 HA ILE 78 HA ILE 78 1.297 -3.191 -4.476 568 HB ILE 78 HB ILE 78 3.827 -2.655 -2.914 569 HG12 ILE 78 2HG1 ILE 78 1.033 -1.650 -2.366 570 HG13 ILE 78 1HG1 ILE 78 1.583 -3.215 -1.781 571 HG21 ILE 78 1HG2 ILE 78 2.459 -1.004 -4.898 572 HG22 ILE 78 2HG2 ILE 78 4.052 -0.799 -4.171 573 HG23 ILE 78 3HG2 ILE 78 2.618 -0.212 -3.330 574 HD11 ILE 78 3HD1 ILE 78 1.937 -0.669 -0.622 575 HD12 ILE 78 1HD1 ILE 78 3.524 -1.310 -1.051 576 HD13 ILE 78 2HD1 ILE 78 2.445 -2.248 -0.017 577 H SER 79 H SER 79 1.687 -2.317 -6.398 578 HA SER 79 HA SER 79 4.202 -2.897 -7.802 579 HB2 SER 79 2HB SER 79 1.821 -4.174 -8.400 580 HB3 SER 79 1HB SER 79 1.832 -2.830 -9.548 581 HG SER 79 HG SER 79 3.954 -3.534 -10.161 582 HA PRO 80 HA PRO 80 3.810 1.679 -7.939 583 HB2 PRO 80 2HB PRO 80 6.173 1.265 -9.722 584 HB3 PRO 80 1HB PRO 80 5.944 2.429 -8.413 585 HG2 PRO 80 2HG PRO 80 7.447 0.296 -8.009 586 HG3 PRO 80 1HG PRO 80 6.309 0.830 -6.755 587 HD2 PRO 80 2HD PRO 80 6.065 -1.445 -8.692 588 HD3 PRO 80 1HD PRO 80 5.605 -1.366 -6.977 589 H ALA 81 H ALA 81 2.364 2.608 -9.182 590 HA ALA 81 HA ALA 81 1.667 1.659 -11.790 591 HB1 ALA 81 3HB ALA 81 -0.123 2.411 -10.470 592 HB2 ALA 81 1HB ALA 81 0.082 3.647 -11.711 593 HB3 ALA 81 2HB ALA 81 0.689 3.926 -10.079 594 H ALA 82 H ALA 82 2.510 2.242 -13.663 595 HA ALA 82 HA ALA 82 3.708 4.915 -13.962 596 HB1 ALA 82 3HB ALA 82 5.445 3.122 -13.665 597 HB2 ALA 82 1HB ALA 82 5.575 4.048 -15.159 598 HB3 ALA 82 2HB ALA 82 4.885 2.425 -15.184 599 H LEU 83 H LEU 83 2.991 6.011 -15.662 600 HA LEU 83 HA LEU 83 1.644 4.544 -17.836 601 HB2 LEU 83 2HB LEU 83 0.302 6.077 -16.132 602 HB3 LEU 83 1HB LEU 83 0.879 7.355 -17.182 603 HG LEU 83 HG LEU 83 -0.412 5.073 -18.551 604 HD11 LEU 83 1HD1 LEU 83 -1.907 5.166 -16.708 605 HD12 LEU 83 2HD1 LEU 83 -2.673 6.030 -18.043 606 HD13 LEU 83 3HD1 LEU 83 -1.919 6.930 -16.726 607 HD21 LEU 83 3HD2 LEU 83 0.436 7.196 -19.615 608 HD22 LEU 83 1HD2 LEU 83 -0.884 8.034 -18.799 609 HD23 LEU 83 2HD2 LEU 83 -1.237 6.773 -19.980 610 HA ALA 331 HA ALA 331 -19.562 -4.491 -6.813 611 HB1 ALA 331 3HB ALA 331 -18.857 -3.349 -9.509 612 HB2 ALA 331 1HB ALA 331 -18.117 -4.799 -8.827 613 HB3 ALA 331 2HB ALA 331 -17.923 -3.243 -8.016 614 H THR 332 H THR 332 -21.528 -3.069 -9.385 615 HA THR 332 HA THR 332 -22.864 -1.245 -9.532 616 HB THR 332 HB THR 332 -23.009 -0.603 -6.658 617 HG1 THR 332 1HG THR 332 -23.427 -3.214 -7.614 618 HG21 THR 332 1HG2 THR 332 -24.544 0.156 -8.558 619 HG22 THR 332 2HG2 THR 332 -25.319 -0.434 -7.086 620 HG23 THR 332 3HG2 THR 332 -25.217 -1.474 -8.508 621 H GLY 333 H GLY 333 -22.092 0.553 -10.356 622 HA2 GLY 333 2HA GLY 333 -21.377 2.804 -10.170 623 HA3 GLY 333 1HA GLY 333 -20.589 2.407 -8.653 624 H GLY 334 H GLY 334 -19.068 3.866 -10.118 625 HA2 GLY 334 2HA GLY 334 -17.258 2.051 -11.591 626 HA3 GLY 334 1HA GLY 334 -17.448 3.757 -11.965 627 H VAL 335 H VAL 335 -16.413 1.542 -9.401 628 HA VAL 335 HA VAL 335 -14.693 3.636 -8.281 629 HB VAL 335 HB VAL 335 -14.305 1.876 -6.434 630 HG11 VAL 335 1HG1 VAL 335 -15.548 3.890 -6.054 631 HG12 VAL 335 2HG1 VAL 335 -16.397 2.544 -5.293 632 HG13 VAL 335 3HG1 VAL 335 -16.980 3.202 -6.821 633 HG21 VAL 335 3HG2 VAL 335 -16.947 0.728 -6.794 634 HG22 VAL 335 1HG2 VAL 335 -15.419 -0.073 -6.426 635 HG23 VAL 335 2HG2 VAL 335 -15.858 0.266 -8.101 636 H M3L 336 H M3L 336 -12.494 3.230 -7.760 637 HA M3L 336 HA M3L 336 -10.349 2.709 -8.308 638 HB2 M3L 336 1HB M3L 336 -9.681 0.453 -8.202 639 HB3 M3L 336 2HB M3L 336 -11.206 -0.122 -8.856 640 HG2 M3L 336 1HG M3L 336 -11.505 -0.681 -6.673 641 HG3 M3L 336 2HG M3L 336 -12.154 0.955 -6.643 642 HD2 M3L 336 1HD M3L 336 -9.611 1.542 -6.132 643 HD3 M3L 336 2HD M3L 336 -9.636 -0.103 -5.497 644 HE2 M3L 336 1HE M3L 336 -11.951 1.483 -4.652 645 HE3 M3L 336 2HE M3L 336 -10.434 2.187 -4.142 646 HM11 M3L 336 1HM1 M3L 336 -9.290 -1.041 -2.679 647 HM12 M3L 336 2HM1 M3L 336 -9.190 0.500 -1.908 648 HM13 M3L 336 3HM1 M3L 336 -8.736 0.337 -3.560 649 HM21 M3L 336 1HM2 M3L 336 -11.015 -1.610 -4.214 650 HM22 M3L 336 2HM2 M3L 336 -12.520 -0.772 -4.100 651 HM23 M3L 336 3HM2 M3L 336 -11.847 -1.527 -2.700 652 HM31 M3L 336 3HM3 M3L 336 -12.595 0.887 -2.135 653 HM32 M3L 336 1HM3 M3L 336 -11.271 1.990 -1.989 654 HM33 M3L 336 2HM3 M3L 336 -11.242 0.482 -1.147 655 H LYS 337 H LYS 337 -8.959 2.836 -9.974 656 HA LYS 337 HA LYS 337 -9.827 1.914 -12.628 657 HB2 LYS 337 2HB LYS 337 -8.750 4.676 -11.999 658 HB3 LYS 337 1HB LYS 337 -8.928 4.035 -13.623 659 HG2 LYS 337 2HG LYS 337 -10.933 5.032 -13.592 660 HG3 LYS 337 1HG LYS 337 -11.433 3.655 -12.613 661 HD2 LYS 337 2HD LYS 337 -12.070 5.215 -11.117 662 HD3 LYS 337 1HD LYS 337 -10.354 5.309 -10.716 663 HE2 LYS 337 2HE LYS 337 -10.350 7.033 -12.729 664 HE3 LYS 337 1HE LYS 337 -12.053 7.183 -12.292 665 HZ1 LYS 337 3HZ LYS 337 -10.879 8.804 -11.067 666 HZ2 LYS 337 1HZ LYS 337 -9.686 7.705 -10.583 667 HZ3 LYS 337 2HZ LYS 337 -11.256 7.581 -9.963 668 HA PRO 338 HA PRO 338 -5.225 1.075 -11.581 669 HB2 PRO 338 2HB PRO 338 -5.934 -1.746 -11.196 670 HB3 PRO 338 1HB PRO 338 -5.033 -0.667 -10.126 671 HG2 PRO 338 2HG PRO 338 -7.480 -1.499 -9.486 672 HG3 PRO 338 1HG PRO 338 -6.941 0.161 -9.147 673 HD2 PRO 338 2HD PRO 338 -8.576 -0.834 -11.479 674 HD3 PRO 338 1HD PRO 338 -8.938 0.508 -10.369 675 H HIS 339 H HIS 339 -4.078 -1.198 -12.310 676 HA HIS 339 HA HIS 339 -4.013 -1.071 -15.157 677 HB2 HIS 339 2HB HIS 339 -1.893 -1.351 -14.347 678 HB3 HIS 339 1HB HIS 339 -2.460 -2.181 -12.910 679 HD1 HIS 339 1HD HIS 339 -2.473 -3.270 -16.568 680 HD2 HIS 339 2HD HIS 339 -1.192 -4.468 -12.803 681 HE1 HIS 339 1HE HIS 339 -1.445 -5.535 -16.902 682 HE2 HIS 339 2HE HIS 339 -0.742 -6.285 -14.603 683 H ARG 340 H ARG 340 -5.709 -1.929 -16.189 684 HA ARG 340 HA ARG 340 -7.229 -3.358 -17.043 685 HB2 ARG 340 2HB ARG 340 -4.802 -4.919 -16.683 686 HB3 ARG 340 1HB ARG 340 -6.242 -5.929 -16.669 687 HG2 ARG 340 2HG ARG 340 -6.828 -5.340 -18.839 688 HG3 ARG 340 1HG ARG 340 -5.836 -3.882 -18.814 689 HD2 ARG 340 2HD ARG 340 -3.860 -5.070 -19.122 690 HD3 ARG 340 1HD ARG 340 -4.569 -6.584 -18.565 691 HE ARG 340 HE ARG 340 -5.510 -6.908 -20.675 692 HH11 ARG 340 1HH1 ARG 340 -3.814 -3.833 -20.577 693 HH12 ARG 340 2HH1 ARG 340 -3.793 -3.660 -22.301 694 HH21 ARG 340 1HH2 ARG 340 -5.468 -6.659 -22.930 695 HH22 ARG 340 2HH2 ARG 340 -4.728 -5.258 -23.630 696 H TYR 341 H TYR 341 -6.079 -5.335 -14.280 697 HA TYR 341 HA TYR 341 -8.850 -5.922 -13.578 698 HB2 TYR 341 2HB TYR 341 -6.203 -7.063 -12.690 699 HB3 TYR 341 1HB TYR 341 -7.719 -7.489 -11.908 700 HD1 TYR 341 1HD TYR 341 -5.757 -7.759 -15.007 701 HD2 TYR 341 2HD TYR 341 -9.304 -8.949 -12.980 702 HE1 TYR 341 1HE TYR 341 -6.133 -9.500 -16.701 703 HE2 TYR 341 2HE TYR 341 -9.691 -10.694 -14.668 704 HH TYR 341 HH TYR 341 -9.072 -11.170 -16.999 Start of MODEL 14 1 HA SER 5 HA SER 5 -20.000 -0.969 0.359 2 HB2 SER 5 2HB SER 5 -22.737 -2.023 1.121 3 HB3 SER 5 1HB SER 5 -21.926 -0.644 1.864 4 HG SER 5 HG SER 5 -22.082 0.463 -0.062 5 H ARG 6 H ARG 6 -21.270 -4.201 1.076 6 HA ARG 6 HA ARG 6 -19.439 -4.342 3.380 7 HB2 ARG 6 2HB ARG 6 -20.990 -6.197 4.204 8 HB3 ARG 6 1HB ARG 6 -21.593 -4.553 4.303 9 HG2 ARG 6 2HG ARG 6 -22.958 -4.914 2.315 10 HG3 ARG 6 1HG ARG 6 -22.322 -6.554 2.166 11 HD2 ARG 6 2HD ARG 6 -24.061 -7.198 3.422 12 HD3 ARG 6 1HD ARG 6 -23.230 -6.436 4.777 13 HE ARG 6 HE ARG 6 -25.406 -5.254 3.197 14 HH11 ARG 6 1HH1 ARG 6 -23.334 -5.139 6.031 15 HH12 ARG 6 2HH1 ARG 6 -24.275 -3.912 6.810 16 HH21 ARG 6 1HH2 ARG 6 -26.622 -3.647 4.236 17 HH22 ARG 6 2HH2 ARG 6 -26.134 -3.070 5.795 18 H LEU 7 H LEU 7 -18.412 -6.378 3.811 19 HA LEU 7 HA LEU 7 -17.687 -7.775 1.350 20 HB2 LEU 7 2HB LEU 7 -16.430 -7.381 4.014 21 HB3 LEU 7 1HB LEU 7 -16.028 -8.847 3.142 22 HG LEU 7 HG LEU 7 -15.822 -6.402 1.528 23 HD11 LEU 7 1HD1 LEU 7 -15.024 -5.354 3.475 24 HD12 LEU 7 2HD1 LEU 7 -13.584 -5.869 2.597 25 HD13 LEU 7 3HD1 LEU 7 -14.146 -6.794 3.990 26 HD21 LEU 7 3HD2 LEU 7 -15.091 -8.635 0.790 27 HD22 LEU 7 1HD2 LEU 7 -13.904 -8.660 2.094 28 HD23 LEU 7 2HD2 LEU 7 -13.770 -7.466 0.803 29 H SER 8 H SER 8 -19.025 -8.445 4.559 30 HA SER 8 HA SER 8 -20.191 -10.170 5.453 31 HB2 SER 8 2HB SER 8 -20.592 -11.012 2.570 32 HB3 SER 8 1HB SER 8 -21.454 -11.693 3.950 33 HG SER 8 HG SER 8 -22.767 -10.117 3.228 34 H ARG 9 H ARG 9 -20.138 -12.463 5.972 35 HA ARG 9 HA ARG 9 -17.450 -13.540 5.658 36 HB2 ARG 9 2HB ARG 9 -19.740 -14.103 7.510 37 HB3 ARG 9 1HB ARG 9 -18.446 -15.280 7.334 38 HG2 ARG 9 2HG ARG 9 -16.819 -13.539 7.975 39 HG3 ARG 9 1HG ARG 9 -18.160 -12.423 8.238 40 HD2 ARG 9 2HD ARG 9 -18.079 -15.079 9.622 41 HD3 ARG 9 1HD ARG 9 -17.179 -13.704 10.260 42 HE ARG 9 HE ARG 9 -19.448 -12.542 10.206 43 HH11 ARG 9 1HH1 ARG 9 -19.098 -15.989 10.790 44 HH12 ARG 9 2HH1 ARG 9 -20.557 -16.096 11.717 45 HH21 ARG 9 1HH2 ARG 9 -21.354 -12.708 11.422 46 HH22 ARG 9 2HH2 ARG 9 -21.831 -14.240 12.074 47 H SER 10 H SER 10 -17.007 -14.897 4.081 48 HA SER 10 HA SER 10 -18.954 -16.966 3.341 49 HB2 SER 10 2HB SER 10 -17.829 -14.863 1.577 50 HB3 SER 10 1HB SER 10 -17.874 -16.494 0.910 51 HG SER 10 HG SER 10 -20.118 -16.534 1.429 52 H GLY 11 H GLY 11 -15.601 -15.815 3.118 53 HA2 GLY 11 2HA GLY 11 -14.674 -18.563 2.647 54 HA3 GLY 11 1HA GLY 11 -13.719 -17.105 2.431 55 H ALA 12 H ALA 12 -12.433 -18.977 3.694 56 HA ALA 12 HA ALA 12 -12.772 -18.616 6.585 57 HB1 ALA 12 3HB ALA 12 -10.936 -20.540 5.167 58 HB2 ALA 12 1HB ALA 12 -12.595 -20.919 5.633 59 HB3 ALA 12 2HB ALA 12 -11.395 -20.548 6.870 60 H SER 13 H SER 13 -11.318 -17.604 7.842 61 HA SER 13 HA SER 13 -9.686 -16.171 8.482 62 HB2 SER 13 2HB SER 13 -8.398 -18.399 7.400 63 HB3 SER 13 1HB SER 13 -7.555 -17.020 6.694 64 HG SER 13 HG SER 13 -6.748 -16.555 8.583 65 H SER 14 H SER 14 -10.129 -14.144 7.963 66 HA SER 14 HA SER 14 -9.003 -13.047 5.493 67 HB2 SER 14 2HB SER 14 -11.885 -12.759 6.351 68 HB3 SER 14 1HB SER 14 -11.118 -11.647 5.218 69 HG SER 14 HG SER 14 -10.517 -13.889 4.213 70 H LEU 15 H LEU 15 -9.496 -12.831 8.810 71 HA LEU 15 HA LEU 15 -9.238 -9.936 8.977 72 HB2 LEU 15 2HB LEU 15 -9.566 -12.098 11.046 73 HB3 LEU 15 1HB LEU 15 -9.234 -10.433 11.479 74 HG LEU 15 HG LEU 15 -11.402 -10.219 9.771 75 HD11 LEU 15 1HD1 LEU 15 -12.021 -12.456 11.675 76 HD12 LEU 15 2HD1 LEU 15 -11.554 -12.748 10.000 77 HD13 LEU 15 3HD1 LEU 15 -13.010 -11.821 10.360 78 HD21 LEU 15 3HD2 LEU 15 -11.368 -10.385 12.784 79 HD22 LEU 15 1HD2 LEU 15 -12.640 -9.656 11.802 80 HD23 LEU 15 2HD2 LEU 15 -11.024 -8.949 11.819 81 H TRP 16 H TRP 16 -7.350 -12.818 9.905 82 HA TRP 16 HA TRP 16 -4.926 -11.170 9.815 83 HB2 TRP 16 2HB TRP 16 -4.048 -12.538 11.796 84 HB3 TRP 16 1HB TRP 16 -5.223 -11.280 12.149 85 HD1 TRP 16 HD TRP 16 -7.707 -12.093 12.866 86 HE1 TRP 16 1HE TRP 16 -8.523 -14.286 13.936 87 HE3 TRP 16 3HE TRP 16 -3.647 -15.057 11.874 88 HZ2 TRP 16 2HZ TRP 16 -7.579 -16.916 14.312 89 HZ3 TRP 16 3HZ TRP 16 -3.691 -17.398 12.627 90 HH2 TRP 16 HH TRP 16 -5.616 -18.307 13.821 91 H ASP 17 H ASP 17 -3.339 -12.017 8.662 92 HA ASP 17 HA ASP 17 -3.327 -14.912 8.130 93 HB2 ASP 17 2HB ASP 17 -3.917 -12.907 6.251 94 HB3 ASP 17 1HB ASP 17 -2.266 -13.409 5.898 95 HA PRO 18 HA PRO 18 0.982 -14.737 9.235 96 HB2 PRO 18 2HB PRO 18 2.041 -16.749 7.739 97 HB3 PRO 18 1HB PRO 18 1.046 -17.028 9.171 98 HG2 PRO 18 2HG PRO 18 0.280 -17.135 6.280 99 HG3 PRO 18 1HG PRO 18 -0.185 -18.221 7.602 100 HD2 PRO 18 2HD PRO 18 -1.821 -16.272 6.659 101 HD3 PRO 18 1HD PRO 18 -1.839 -16.805 8.352 102 H ALA 19 H ALA 19 2.549 -13.386 8.695 103 HA ALA 19 HA ALA 19 2.997 -12.748 5.856 104 HB1 ALA 19 3HB ALA 19 3.745 -10.582 6.538 105 HB2 ALA 19 1HB ALA 19 3.717 -11.051 8.238 106 HB3 ALA 19 2HB ALA 19 2.207 -10.909 7.338 107 H SER 20 H SER 20 4.359 -14.452 8.379 108 HA SER 20 HA SER 20 6.363 -15.422 8.800 109 HB2 SER 20 2HB SER 20 6.161 -15.960 6.317 110 HB3 SER 20 1HB SER 20 7.270 -14.618 6.033 111 HG SER 20 HG SER 20 8.661 -16.215 6.284 112 HA PRO 21 HA PRO 21 8.455 -11.563 10.158 113 HB2 PRO 21 2HB PRO 21 9.596 -13.366 12.198 114 HB3 PRO 21 1HB PRO 21 8.698 -11.860 12.409 115 HG2 PRO 21 2HG PRO 21 7.596 -14.221 13.004 116 HG3 PRO 21 1HG PRO 21 6.641 -12.914 12.280 117 HD2 PRO 21 2HD PRO 21 7.815 -15.347 10.977 118 HD3 PRO 21 1HD PRO 21 6.211 -14.613 10.763 119 H ALA 22 H ALA 22 10.332 -10.836 9.427 120 HA ALA 22 HA ALA 22 12.615 -12.672 9.136 121 HB1 ALA 22 3HB ALA 22 12.468 -10.613 7.063 122 HB2 ALA 22 1HB ALA 22 11.144 -11.776 6.996 123 HB3 ALA 22 2HB ALA 22 12.814 -12.337 6.920 124 HA PRO 23 HA PRO 23 15.063 -9.521 11.132 125 HB2 PRO 23 2HB PRO 23 17.406 -9.589 9.687 126 HB3 PRO 23 1HB PRO 23 16.976 -10.761 10.938 127 HG2 PRO 23 2HG PRO 23 16.721 -10.982 7.963 128 HG3 PRO 23 1HG PRO 23 17.273 -12.196 9.134 129 HD2 PRO 23 2HD PRO 23 14.799 -12.267 8.104 130 HD3 PRO 23 1HD PRO 23 15.112 -12.724 9.791 131 H THR 24 H THR 24 16.393 -7.490 10.702 132 HA THR 24 HA THR 24 14.961 -5.833 8.814 133 HB THR 24 HB THR 24 16.541 -4.023 9.770 134 HG1 THR 24 1HG THR 24 18.050 -4.857 11.000 135 HG21 THR 24 1HG2 THR 24 14.240 -4.081 10.414 136 HG22 THR 24 2HG2 THR 24 15.195 -3.907 11.886 137 HG23 THR 24 3HG2 THR 24 14.509 -5.475 11.460 138 H SER 25 H SER 25 15.571 -5.390 6.832 139 HA SER 25 HA SER 25 18.398 -5.725 6.069 140 HB2 SER 25 2HB SER 25 17.486 -6.162 3.750 141 HB3 SER 25 1HB SER 25 17.083 -7.394 4.947 142 HG SER 25 HG SER 25 15.195 -6.961 3.943 143 H GLY 26 H GLY 26 19.007 -4.386 4.092 144 HA2 GLY 26 2HA GLY 26 17.902 -1.666 4.415 145 HA3 GLY 26 1HA GLY 26 19.556 -2.025 3.942 146 HA PRO 27 HA PRO 27 16.846 -2.764 0.020 147 HB2 PRO 27 2HB PRO 27 14.278 -1.939 0.007 148 HB3 PRO 27 1HB PRO 27 14.753 -3.526 0.620 149 HG2 PRO 27 2HG PRO 27 14.047 -1.044 2.121 150 HG3 PRO 27 1HG PRO 27 13.672 -2.733 2.504 151 HD2 PRO 27 2HD PRO 27 15.722 -1.264 3.652 152 HD3 PRO 27 1HD PRO 27 15.650 -3.034 3.600 153 H ARG 28 H ARG 28 15.875 -1.308 -1.742 154 HA ARG 28 HA ARG 28 17.068 1.324 -1.509 155 HB2 ARG 28 2HB ARG 28 16.503 -0.531 -3.636 156 HB3 ARG 28 1HB ARG 28 15.837 1.047 -4.030 157 HG2 ARG 28 2HG ARG 28 18.012 2.074 -3.699 158 HG3 ARG 28 1HG ARG 28 18.693 0.511 -3.240 159 HD2 ARG 28 2HD ARG 28 17.323 0.859 -5.881 160 HD3 ARG 28 1HD ARG 28 18.998 1.369 -5.671 161 HE ARG 28 HE ARG 28 18.696 -1.264 -4.721 162 HH11 ARG 28 1HH1 ARG 28 18.754 0.482 -7.769 163 HH12 ARG 28 2HH1 ARG 28 19.323 -0.882 -8.672 164 HH21 ARG 28 1HH2 ARG 28 19.441 -3.035 -5.922 165 HH22 ARG 28 2HH2 ARG 28 19.710 -2.872 -7.626 166 HA PRO 29 HA PRO 29 13.230 3.551 -0.963 167 HB2 PRO 29 2HB PRO 29 14.021 5.726 -2.740 168 HB3 PRO 29 1HB PRO 29 13.877 5.728 -0.982 169 HG2 PRO 29 2HG PRO 29 16.265 5.898 -2.237 170 HG3 PRO 29 1HG PRO 29 16.068 5.095 -0.668 171 HD2 PRO 29 2HD PRO 29 16.253 3.880 -3.407 172 HD3 PRO 29 1HD PRO 29 17.043 3.379 -1.897 173 H ARG 30 H ARG 30 11.300 3.218 -1.789 174 HA ARG 30 HA ARG 30 10.742 3.699 -4.614 175 HB2 ARG 30 2HB ARG 30 11.051 1.068 -3.534 176 HB3 ARG 30 1HB ARG 30 9.355 1.305 -3.930 177 HG2 ARG 30 2HG ARG 30 9.915 1.848 -6.208 178 HG3 ARG 30 1HG ARG 30 11.639 1.781 -5.835 179 HD2 ARG 30 2HD ARG 30 9.860 -0.586 -5.365 180 HD3 ARG 30 1HD ARG 30 10.534 -0.262 -6.962 181 HE ARG 30 HE ARG 30 12.525 -0.247 -4.907 182 HH11 ARG 30 1HH1 ARG 30 10.692 -2.381 -7.009 183 HH12 ARG 30 2HH1 ARG 30 11.876 -3.643 -6.951 184 HH21 ARG 30 1HH2 ARG 30 14.060 -1.913 -4.845 185 HH22 ARG 30 2HH2 ARG 30 13.781 -3.377 -5.727 186 H LEU 31 H LEU 31 9.489 2.737 -1.451 187 HA LEU 31 HA LEU 31 6.800 3.685 -2.022 188 HB2 LEU 31 2HB LEU 31 8.155 2.185 0.168 189 HB3 LEU 31 1HB LEU 31 6.720 3.090 0.583 190 HG LEU 31 HG LEU 31 5.986 0.889 0.210 191 HD11 LEU 31 1HD1 LEU 31 4.832 2.832 -1.097 192 HD12 LEU 31 2HD1 LEU 31 4.324 1.156 -1.313 193 HD13 LEU 31 3HD1 LEU 31 5.375 1.920 -2.505 194 HD21 LEU 31 3HD2 LEU 31 6.593 0.135 -2.387 195 HD22 LEU 31 1HD2 LEU 31 7.283 -0.516 -0.901 196 HD23 LEU 31 2HD2 LEU 31 8.099 0.796 -1.752 197 H TRP 32 H TRP 32 6.298 5.748 -1.857 198 HA TRP 32 HA TRP 32 7.259 7.340 0.386 199 HB2 TRP 32 2HB TRP 32 8.017 9.201 -1.013 200 HB3 TRP 32 1HB TRP 32 8.928 7.747 -1.393 201 HD1 TRP 32 HD TRP 32 7.976 6.424 -3.725 202 HE1 TRP 32 1HE TRP 32 7.243 7.502 -5.941 203 HE3 TRP 32 3HE TRP 32 7.067 11.189 -2.076 204 HZ2 TRP 32 2HZ TRP 32 6.406 10.023 -6.877 205 HZ3 TRP 32 3HZ TRP 32 6.306 12.870 -3.703 206 HH2 TRP 32 HH TRP 32 5.983 12.297 -6.053 207 H GLU 33 H GLU 33 6.036 9.349 0.685 208 HA GLU 33 HA GLU 33 3.257 8.975 0.383 209 HB2 GLU 33 2HB GLU 33 4.972 11.257 1.297 210 HB3 GLU 33 1HB GLU 33 3.245 11.501 1.069 211 HG2 GLU 33 2HG GLU 33 2.824 9.623 2.627 212 HG3 GLU 33 1HG GLU 33 4.561 9.528 2.919 213 H GLY 34 H GLY 34 2.080 9.155 -1.373 214 HA2 GLY 34 2HA GLY 34 1.055 10.418 -3.098 215 HA3 GLY 34 1HA GLY 34 2.509 11.394 -3.221 216 H GLN 35 H GLN 35 2.706 7.925 -3.033 217 HA GLN 35 HA GLN 35 3.704 7.852 -5.792 218 HB2 GLN 35 2HB GLN 35 5.404 6.928 -4.538 219 HB3 GLN 35 1HB GLN 35 4.314 6.365 -3.281 220 HG2 GLN 35 2HG GLN 35 4.478 4.297 -4.079 221 HG3 GLN 35 1HG GLN 35 3.784 4.833 -5.609 222 HE21 GLN 35 1HE2 GLN 35 5.800 2.807 -5.006 223 HE22 GLN 35 2HE2 GLN 35 7.199 3.231 -5.925 224 H ASP 36 H ASP 36 2.412 7.041 -7.324 225 HA ASP 36 HA ASP 36 -0.073 5.776 -6.657 226 HB2 ASP 36 2HB ASP 36 1.279 6.186 -9.328 227 HB3 ASP 36 1HB ASP 36 -0.307 5.462 -9.143 228 H VAL 37 H VAL 37 -0.170 3.833 -5.947 229 HA VAL 37 HA VAL 37 1.713 1.787 -6.883 230 HB VAL 37 HB VAL 37 1.203 0.624 -4.730 231 HG11 VAL 37 1HG1 VAL 37 2.662 2.009 -3.366 232 HG12 VAL 37 2HG1 VAL 37 2.391 3.373 -4.449 233 HG13 VAL 37 3HG1 VAL 37 3.235 1.939 -5.032 234 HG21 VAL 37 3HG2 VAL 37 0.018 1.602 -2.957 235 HG22 VAL 37 1HG2 VAL 37 -0.979 1.959 -4.366 236 HG23 VAL 37 2HG2 VAL 37 0.061 3.208 -3.683 237 H LEU 38 H LEU 38 0.939 -0.431 -6.691 238 HA LEU 38 HA LEU 38 -1.910 -0.727 -7.341 239 HB2 LEU 38 2HB LEU 38 0.478 -2.116 -8.527 240 HB3 LEU 38 1HB LEU 38 -1.167 -2.673 -8.755 241 HG LEU 38 HG LEU 38 -0.254 0.084 -9.557 242 HD11 LEU 38 1HD1 LEU 38 -0.541 -1.223 -11.898 243 HD12 LEU 38 2HD1 LEU 38 0.132 -2.506 -10.891 244 HD13 LEU 38 3HD1 LEU 38 1.003 -0.984 -11.082 245 HD21 LEU 38 3HD2 LEU 38 -2.774 -1.269 -9.472 246 HD22 LEU 38 1HD2 LEU 38 -2.362 -0.881 -11.142 247 HD23 LEU 38 2HD2 LEU 38 -2.420 0.396 -9.927 248 H ALA 39 H ALA 39 -2.696 -1.371 -5.525 249 HA ALA 39 HA ALA 39 -1.317 -3.282 -3.824 250 HB1 ALA 39 3HB ALA 39 -2.689 -1.115 -3.175 251 HB2 ALA 39 1HB ALA 39 -2.697 -2.543 -2.143 252 HB3 ALA 39 2HB ALA 39 -4.048 -2.237 -3.226 253 H ARG 40 H ARG 40 -1.466 -5.306 -4.519 254 HA ARG 40 HA ARG 40 -3.633 -6.387 -6.016 255 HB2 ARG 40 2HB ARG 40 -1.021 -7.103 -5.514 256 HB3 ARG 40 1HB ARG 40 -1.917 -8.286 -4.591 257 HG2 ARG 40 2HG ARG 40 -2.579 -7.779 -7.467 258 HG3 ARG 40 1HG ARG 40 -1.256 -8.847 -7.013 259 HD2 ARG 40 2HD ARG 40 -3.107 -9.929 -5.471 260 HD3 ARG 40 1HD ARG 40 -4.193 -9.192 -6.647 261 HE ARG 40 HE ARG 40 -2.715 -10.460 -8.329 262 HH11 ARG 40 1HH1 ARG 40 -3.537 -11.664 -5.134 263 HH12 ARG 40 2HH1 ARG 40 -3.406 -13.326 -5.601 264 HH21 ARG 40 1HH2 ARG 40 -2.550 -12.642 -8.917 265 HH22 ARG 40 2HH2 ARG 40 -2.846 -13.879 -7.742 266 H TRP 41 H TRP 41 -5.528 -7.097 -5.292 267 HA TRP 41 HA TRP 41 -5.889 -7.534 -2.427 268 HB2 TRP 41 2HB TRP 41 -7.427 -6.042 -3.814 269 HB3 TRP 41 1HB TRP 41 -8.086 -7.519 -4.510 270 HD1 TRP 41 HD TRP 41 -10.220 -8.283 -3.327 271 HE1 TRP 41 1HE TRP 41 -11.219 -8.086 -0.966 272 HE3 TRP 41 3HE TRP 41 -6.411 -5.745 -1.024 273 HZ2 TRP 41 2HZ TRP 41 -10.498 -7.008 1.536 274 HZ3 TRP 41 3HZ TRP 41 -6.651 -5.173 1.356 275 HH2 TRP 41 HH TRP 41 -8.654 -5.792 2.608 276 H THR 42 H THR 42 -7.170 -9.364 -1.655 277 HA THR 42 HA THR 42 -6.118 -11.821 -2.681 278 HB THR 42 HB THR 42 -6.240 -11.520 -0.289 279 HG1 THR 42 1HG THR 42 -7.842 -13.577 -1.385 280 HG21 THR 42 1HG2 THR 42 -8.114 -10.139 0.117 281 HG22 THR 42 2HG2 THR 42 -8.516 -11.689 0.854 282 HG23 THR 42 3HG2 THR 42 -9.214 -11.247 -0.704 283 H ASP 43 H ASP 43 -8.657 -10.146 -3.856 284 HA ASP 43 HA ASP 43 -10.432 -12.428 -4.258 285 HB2 ASP 43 2HB ASP 43 -12.003 -10.843 -5.241 286 HB3 ASP 43 1HB ASP 43 -11.438 -10.246 -3.685 287 H GLY 44 H GLY 44 -7.695 -11.321 -5.668 288 HA2 GLY 44 2HA GLY 44 -6.735 -12.360 -7.580 289 HA3 GLY 44 1HA GLY 44 -8.350 -12.592 -8.231 290 H LEU 45 H LEU 45 -8.786 -9.648 -7.291 291 HA LEU 45 HA LEU 45 -7.868 -8.463 -9.796 292 HB2 LEU 45 2HB LEU 45 -10.164 -8.054 -7.987 293 HB3 LEU 45 1HB LEU 45 -9.489 -6.586 -8.666 294 HG LEU 45 HG LEU 45 -11.389 -7.377 -9.976 295 HD11 LEU 45 1HD1 LEU 45 -9.221 -6.345 -11.004 296 HD12 LEU 45 2HD1 LEU 45 -10.508 -6.958 -12.043 297 HD13 LEU 45 3HD1 LEU 45 -9.068 -7.934 -11.752 298 HD21 LEU 45 3HD2 LEU 45 -10.511 -9.904 -9.456 299 HD22 LEU 45 1HD2 LEU 45 -10.047 -9.696 -11.145 300 HD23 LEU 45 2HD2 LEU 45 -11.728 -9.477 -10.660 301 H LEU 46 H LEU 46 -6.901 -6.461 -9.895 302 HA LEU 46 HA LEU 46 -5.137 -5.799 -7.685 303 HB2 LEU 46 2HB LEU 46 -4.334 -6.036 -10.026 304 HB3 LEU 46 1HB LEU 46 -5.369 -4.700 -10.493 305 HG LEU 46 HG LEU 46 -3.980 -3.295 -8.856 306 HD11 LEU 46 1HD1 LEU 46 -2.306 -4.249 -7.754 307 HD12 LEU 46 2HD1 LEU 46 -1.591 -4.784 -9.277 308 HD13 LEU 46 3HD1 LEU 46 -2.753 -5.806 -8.440 309 HD21 LEU 46 3HD2 LEU 46 -2.082 -3.382 -10.698 310 HD22 LEU 46 1HD2 LEU 46 -3.679 -2.714 -11.014 311 HD23 LEU 46 2HD2 LEU 46 -3.299 -4.355 -11.525 312 H TYR 47 H TYR 47 -4.798 -3.463 -7.144 313 HA TYR 47 HA TYR 47 -7.212 -1.794 -7.366 314 HB2 TYR 47 2HB TYR 47 -5.765 -2.518 -4.803 315 HB3 TYR 47 1HB TYR 47 -6.817 -1.122 -4.934 316 HD1 TYR 47 1HD TYR 47 -8.564 -3.439 -6.841 317 HD2 TYR 47 2HD TYR 47 -7.388 -2.761 -2.804 318 HE1 TYR 47 1HE TYR 47 -10.459 -4.783 -6.069 319 HE2 TYR 47 2HE TYR 47 -9.282 -4.116 -2.029 320 HH TYR 47 HH TYR 47 -11.335 -5.872 -4.273 321 H LEU 48 H LEU 48 -6.756 0.357 -7.664 322 HA LEU 48 HA LEU 48 -3.923 1.114 -7.688 323 HB2 LEU 48 2HB LEU 48 -5.121 1.487 -9.775 324 HB3 LEU 48 1HB LEU 48 -6.328 2.450 -8.947 325 HG LEU 48 HG LEU 48 -4.365 4.038 -8.368 326 HD11 LEU 48 1HD1 LEU 48 -2.545 2.553 -9.029 327 HD12 LEU 48 2HD1 LEU 48 -2.528 4.042 -9.972 328 HD13 LEU 48 3HD1 LEU 48 -3.138 2.553 -10.689 329 HD21 LEU 48 3HD2 LEU 48 -4.533 5.079 -10.675 330 HD22 LEU 48 1HD2 LEU 48 -6.049 4.797 -9.819 331 HD23 LEU 48 2HD2 LEU 48 -5.547 3.702 -11.107 332 H GLY 49 H GLY 49 -3.107 2.712 -6.466 333 HA2 GLY 49 2HA GLY 49 -4.760 4.559 -5.005 334 HA3 GLY 49 1HA GLY 49 -4.122 3.295 -3.983 335 H THR 50 H THR 50 -3.574 6.028 -3.612 336 HA THR 50 HA THR 50 -0.738 6.232 -4.395 337 HB THR 50 HB THR 50 -1.701 8.640 -3.135 338 HG1 THR 50 1HG THR 50 -3.688 8.526 -3.947 339 HG21 THR 50 1HG2 THR 50 -0.821 8.142 -5.982 340 HG22 THR 50 2HG2 THR 50 0.284 8.357 -4.625 341 HG23 THR 50 3HG2 THR 50 -0.783 9.675 -5.109 342 H ILE 51 H ILE 51 0.831 6.633 -2.842 343 HA ILE 51 HA ILE 51 0.325 5.418 -0.313 344 HB ILE 51 HB ILE 51 2.825 6.769 -1.337 345 HG12 ILE 51 2HG1 ILE 51 2.062 4.823 -2.669 346 HG13 ILE 51 1HG1 ILE 51 3.602 4.524 -1.878 347 HG21 ILE 51 1HG2 ILE 51 2.948 4.717 0.824 348 HG22 ILE 51 2HG2 ILE 51 2.474 6.356 1.265 349 HG23 ILE 51 3HG2 ILE 51 4.032 6.069 0.487 350 HD11 ILE 51 3HD1 ILE 51 1.714 3.575 -0.081 351 HD12 ILE 51 1HD1 ILE 51 2.712 2.613 -1.163 352 HD13 ILE 51 2HD1 ILE 51 1.103 3.101 -1.663 353 H LYS 52 H LYS 52 -0.505 6.290 1.376 354 HA LYS 52 HA LYS 52 -0.300 9.178 1.845 355 HB2 LYS 52 2HB LYS 52 -2.277 7.130 2.427 356 HB3 LYS 52 1HB LYS 52 -1.873 8.052 3.868 357 HG2 LYS 52 2HG LYS 52 -2.509 9.503 1.335 358 HG3 LYS 52 1HG LYS 52 -3.816 8.816 2.297 359 HD2 LYS 52 2HD LYS 52 -1.875 10.330 3.882 360 HD3 LYS 52 1HD LYS 52 -2.705 11.303 2.666 361 HE2 LYS 52 2HE LYS 52 -4.865 10.509 3.530 362 HE3 LYS 52 1HE LYS 52 -4.018 9.577 4.764 363 HZ1 LYS 52 3HZ LYS 52 -3.076 11.689 5.583 364 HZ2 LYS 52 1HZ LYS 52 -4.763 11.629 5.704 365 HZ3 LYS 52 2HZ LYS 52 -4.036 12.531 4.473 366 H LYS 53 H LYS 53 0.837 6.120 3.040 367 HA LYS 53 HA LYS 53 2.594 7.453 4.927 368 HB2 LYS 53 2HB LYS 53 0.229 6.243 5.864 369 HB3 LYS 53 1HB LYS 53 1.512 5.107 6.241 370 HG2 LYS 53 2HG LYS 53 1.833 7.995 6.953 371 HG3 LYS 53 1HG LYS 53 0.829 6.951 7.954 372 HD2 LYS 53 2HD LYS 53 2.746 6.481 9.037 373 HD3 LYS 53 1HD LYS 53 3.101 5.440 7.658 374 HE2 LYS 53 2HE LYS 53 5.022 6.735 7.857 375 HE3 LYS 53 1HE LYS 53 4.108 7.561 6.596 376 HZ1 LYS 53 3HZ LYS 53 4.956 8.538 9.119 377 HZ2 LYS 53 1HZ LYS 53 3.275 8.671 8.977 378 HZ3 LYS 53 2HZ LYS 53 4.281 9.384 7.819 379 H VAL 54 H VAL 54 4.303 5.997 5.728 380 HA VAL 54 HA VAL 54 4.709 3.605 4.078 381 HB VAL 54 HB VAL 54 6.701 5.872 4.354 382 HG11 VAL 54 1HG1 VAL 54 8.446 4.573 3.692 383 HG12 VAL 54 2HG1 VAL 54 7.425 3.513 2.722 384 HG13 VAL 54 3HG1 VAL 54 7.501 3.302 4.471 385 HG21 VAL 54 3HG2 VAL 54 5.274 6.339 2.553 386 HG22 VAL 54 1HG2 VAL 54 5.223 4.652 2.042 387 HG23 VAL 54 2HG2 VAL 54 6.692 5.599 1.810 388 H ASP 55 H ASP 55 5.625 1.942 5.062 389 HA ASP 55 HA ASP 55 6.744 2.283 7.762 390 HB2 ASP 55 2HB ASP 55 4.659 0.394 6.749 391 HB3 ASP 55 1HB ASP 55 5.814 -0.230 7.930 392 H SER 56 H SER 56 8.823 2.406 6.799 393 HA SER 56 HA SER 56 9.863 0.325 5.126 394 HB2 SER 56 2HB SER 56 10.578 2.791 5.202 395 HB3 SER 56 1HB SER 56 11.531 2.340 6.616 396 HG SER 56 HG SER 56 11.721 1.022 4.113 397 H ALA 57 H ALA 57 9.320 0.429 8.429 398 HA ALA 57 HA ALA 57 11.639 -1.146 9.206 399 HB1 ALA 57 3HB ALA 57 10.681 0.628 10.676 400 HB2 ALA 57 1HB ALA 57 10.842 -0.950 11.447 401 HB3 ALA 57 2HB ALA 57 9.261 -0.396 10.895 402 H ARG 58 H ARG 58 8.198 -1.586 8.633 403 HA ARG 58 HA ARG 58 8.449 -4.460 9.213 404 HB2 ARG 58 2HB ARG 58 6.106 -2.576 9.260 405 HB3 ARG 58 1HB ARG 58 5.870 -4.315 9.169 406 HG2 ARG 58 2HG ARG 58 7.706 -3.459 11.284 407 HG3 ARG 58 1HG ARG 58 6.047 -2.888 11.477 408 HD2 ARG 58 2HD ARG 58 5.253 -5.209 11.207 409 HD3 ARG 58 1HD ARG 58 6.928 -5.749 11.100 410 HE ARG 58 HE ARG 58 5.594 -4.688 13.491 411 HH11 ARG 58 1HH1 ARG 58 8.394 -6.249 12.054 412 HH12 ARG 58 2HH1 ARG 58 9.077 -6.688 13.585 413 HH21 ARG 58 1HH2 ARG 58 6.509 -5.270 15.481 414 HH22 ARG 58 2HH2 ARG 58 8.010 -6.134 15.521 415 H GLU 59 H GLU 59 8.710 -2.498 6.641 416 HA GLU 59 HA GLU 59 8.564 -2.686 4.385 417 HB2 GLU 59 2HB GLU 59 8.364 -5.571 5.191 418 HB3 GLU 59 1HB GLU 59 8.163 -5.119 3.503 419 HG2 GLU 59 2HG GLU 59 10.529 -4.054 4.938 420 HG3 GLU 59 1HG GLU 59 10.519 -5.772 4.525 421 H VAL 60 H VAL 60 6.365 -1.716 5.591 422 HA VAL 60 HA VAL 60 4.179 -2.625 3.838 423 HB VAL 60 HB VAL 60 3.483 -1.517 6.529 424 HG11 VAL 60 1HG1 VAL 60 1.522 -2.986 6.253 425 HG12 VAL 60 2HG1 VAL 60 2.167 -3.500 4.694 426 HG13 VAL 60 3HG1 VAL 60 1.710 -1.815 4.948 427 HG21 VAL 60 3HG2 VAL 60 3.245 -4.166 7.050 428 HG22 VAL 60 1HG2 VAL 60 4.603 -3.174 7.580 429 HG23 VAL 60 2HG2 VAL 60 4.741 -4.147 6.117 430 H CYS 61 H CYS 61 2.461 -0.888 3.608 431 HA CYS 61 HA CYS 61 3.201 1.847 4.192 432 HB2 CYS 61 2HB CYS 61 3.413 0.740 1.417 433 HB3 CYS 61 1HB CYS 61 2.832 2.388 1.645 434 HG CYS 61 HG CYS 61 5.576 1.833 3.416 435 H LEU 62 H LEU 62 1.503 3.255 4.074 436 HA LEU 62 HA LEU 62 -1.122 2.022 3.674 437 HB2 LEU 62 2HB LEU 62 -0.218 3.682 5.681 438 HB3 LEU 62 1HB LEU 62 -1.046 4.797 4.617 439 HG LEU 62 HG LEU 62 -2.708 4.242 6.132 440 HD11 LEU 62 1HD1 LEU 62 -4.373 3.426 4.847 441 HD12 LEU 62 2HD1 LEU 62 -3.474 1.973 4.408 442 HD13 LEU 62 3HD1 LEU 62 -3.150 3.495 3.580 443 HD21 LEU 62 3HD2 LEU 62 -2.107 2.634 7.562 444 HD22 LEU 62 1HD2 LEU 62 -1.267 1.701 6.324 445 HD23 LEU 62 2HD2 LEU 62 -3.019 1.575 6.488 446 H VAL 63 H VAL 63 -2.459 2.636 2.094 447 HA VAL 63 HA VAL 63 -1.722 4.948 0.466 448 HB VAL 63 HB VAL 63 -1.007 3.724 -1.250 449 HG11 VAL 63 1HG1 VAL 63 -1.683 1.443 0.522 450 HG12 VAL 63 2HG1 VAL 63 -0.113 1.992 -0.060 451 HG13 VAL 63 3HG1 VAL 63 -1.208 1.140 -1.146 452 HG21 VAL 63 3HG2 VAL 63 -2.459 2.569 -2.674 453 HG22 VAL 63 1HG2 VAL 63 -3.428 3.828 -1.906 454 HG23 VAL 63 2HG2 VAL 63 -3.553 2.157 -1.353 455 H GLN 64 H GLN 64 -3.345 6.048 -0.441 456 HA GLN 64 HA GLN 64 -6.055 5.383 0.415 457 HB2 GLN 64 2HB GLN 64 -4.924 7.740 0.592 458 HB3 GLN 64 1HB GLN 64 -5.303 7.871 -1.118 459 HG2 GLN 64 2HG GLN 64 -7.402 8.453 -0.659 460 HG3 GLN 64 1HG GLN 64 -7.634 7.001 0.315 461 HE21 GLN 64 1HE2 GLN 64 -8.237 7.390 2.306 462 HE22 GLN 64 2HE2 GLN 64 -7.826 8.775 3.253 463 H PHE 65 H PHE 65 -7.640 4.797 -1.020 464 HA PHE 65 HA PHE 65 -6.746 4.275 -3.753 465 HB2 PHE 65 2HB PHE 65 -8.868 2.979 -2.043 466 HB3 PHE 65 1HB PHE 65 -8.594 2.576 -3.742 467 HD1 PHE 65 2HD PHE 65 -7.021 2.565 -0.378 468 HD2 PHE 65 1HD PHE 65 -6.829 1.191 -4.381 469 HE1 PHE 65 2HE PHE 65 -5.216 1.009 0.247 470 HE2 PHE 65 1HE PHE 65 -5.028 -0.355 -3.776 471 HZ PHE 65 HZ PHE 65 -4.235 -0.461 -1.463 472 H GLU 66 H GLU 66 -8.357 4.304 -5.473 473 HA GLU 66 HA GLU 66 -9.394 6.804 -5.980 474 HB2 GLU 66 2HB GLU 66 -9.071 4.516 -7.393 475 HB3 GLU 66 1HB GLU 66 -10.827 4.632 -7.311 476 HG2 GLU 66 2HG GLU 66 -10.406 5.794 -9.234 477 HG3 GLU 66 1HG GLU 66 -10.404 7.102 -8.049 478 H ASP 67 H ASP 67 -11.156 3.959 -4.678 479 HA ASP 67 HA ASP 67 -13.608 5.524 -4.561 480 HB2 ASP 67 2HB ASP 67 -13.607 3.172 -5.314 481 HB3 ASP 67 1HB ASP 67 -13.086 2.662 -3.722 482 H ASP 68 H ASP 68 -11.412 6.456 -2.965 483 HA ASP 68 HA ASP 68 -10.855 7.244 -0.923 484 HB2 ASP 68 2HB ASP 68 -13.857 7.248 -0.812 485 HB3 ASP 68 1HB ASP 68 -12.903 7.832 0.550 486 H SER 69 H SER 69 -10.056 4.824 -0.776 487 HA SER 69 HA SER 69 -11.018 3.800 1.815 488 HB2 SER 69 2HB SER 69 -11.354 2.410 -0.453 489 HB3 SER 69 1HB SER 69 -9.711 1.879 -0.059 490 HG SER 69 HG SER 69 -10.643 1.442 2.106 491 H GLN 70 H GLN 70 -9.557 3.696 3.371 492 HA GLN 70 HA GLN 70 -6.725 4.016 2.686 493 HB2 GLN 70 2HB GLN 70 -8.391 4.717 5.026 494 HB3 GLN 70 1HB GLN 70 -6.803 4.073 5.422 495 HG2 GLN 70 2HG GLN 70 -7.108 6.293 3.437 496 HG3 GLN 70 1HG GLN 70 -7.089 6.613 5.171 497 HE21 GLN 70 1HE2 GLN 70 -5.242 5.806 2.399 498 HE22 GLN 70 2HE2 GLN 70 -3.684 5.818 3.158 499 H PHE 71 H PHE 71 -6.133 2.048 2.038 500 HA PHE 71 HA PHE 71 -6.524 -0.209 3.892 501 HB2 PHE 71 2HB PHE 71 -6.914 0.116 0.999 502 HB3 PHE 71 1HB PHE 71 -6.017 -1.333 1.414 503 HD1 PHE 71 1HD PHE 71 -8.518 -0.281 3.873 504 HD2 PHE 71 2HD PHE 71 -7.904 -2.475 0.278 505 HE1 PHE 71 1HE PHE 71 -10.643 -1.452 4.229 506 HE2 PHE 71 2HE PHE 71 -10.030 -3.655 0.635 507 HZ PHE 71 HZ PHE 71 -11.404 -3.142 2.610 508 H LEU 72 H LEU 72 -4.773 -1.032 4.767 509 HA LEU 72 HA LEU 72 -2.158 -0.100 4.029 510 HB2 LEU 72 2HB LEU 72 -1.538 -2.070 5.750 511 HB3 LEU 72 1HB LEU 72 -1.979 -0.458 6.256 512 HG LEU 72 HG LEU 72 -2.988 -2.259 7.621 513 HD11 LEU 72 1HD1 LEU 72 -4.523 -0.161 6.250 514 HD12 LEU 72 2HD1 LEU 72 -4.226 -0.426 7.968 515 HD13 LEU 72 3HD1 LEU 72 -5.458 -1.370 7.129 516 HD21 LEU 72 3HD2 LEU 72 -3.997 -4.026 6.747 517 HD22 LEU 72 1HD2 LEU 72 -3.616 -3.419 5.135 518 HD23 LEU 72 2HD2 LEU 72 -5.148 -2.996 5.897 519 H VAL 73 H VAL 73 -0.697 -1.027 2.836 520 HA VAL 73 HA VAL 73 -1.127 -3.814 1.961 521 HB VAL 73 HB VAL 73 0.144 -2.018 -0.029 522 HG11 VAL 73 1HG1 VAL 73 -0.694 -3.513 -1.594 523 HG12 VAL 73 2HG1 VAL 73 -1.989 -4.057 -0.530 524 HG13 VAL 73 3HG1 VAL 73 -0.323 -4.535 -0.207 525 HG21 VAL 73 3HG2 VAL 73 -1.786 -0.991 -0.841 526 HG22 VAL 73 1HG2 VAL 73 -1.928 -0.802 0.905 527 HG23 VAL 73 2HG2 VAL 73 -2.855 -2.050 0.077 528 H LEU 74 H LEU 74 0.610 -5.023 1.395 529 HA LEU 74 HA LEU 74 3.099 -4.362 2.726 530 HB2 LEU 74 2HB LEU 74 1.629 -6.722 2.070 531 HB3 LEU 74 1HB LEU 74 3.205 -6.844 1.321 532 HG LEU 74 HG LEU 74 4.280 -6.565 3.513 533 HD11 LEU 74 1HD1 LEU 74 2.222 -7.043 5.323 534 HD12 LEU 74 2HD1 LEU 74 1.630 -5.741 4.290 535 HD13 LEU 74 3HD1 LEU 74 3.163 -5.562 5.146 536 HD21 LEU 74 3HD2 LEU 74 3.256 -8.799 2.540 537 HD22 LEU 74 1HD2 LEU 74 2.255 -8.685 3.987 538 HD23 LEU 74 2HD2 LEU 74 4.011 -8.744 4.133 539 H TRP 75 H TRP 75 5.093 -4.157 1.716 540 HA TRP 75 HA TRP 75 5.224 -3.020 -0.839 541 HB2 TRP 75 2HB TRP 75 7.405 -4.293 0.819 542 HB3 TRP 75 1HB TRP 75 7.708 -3.398 -0.658 543 HD1 TRP 75 HD TRP 75 5.079 -1.951 1.706 544 HE1 TRP 75 1HE TRP 75 6.023 0.164 2.810 545 HE3 TRP 75 3HE TRP 75 9.970 -2.310 0.181 546 HZ2 TRP 75 2HZ TRP 75 8.488 1.499 3.032 547 HZ3 TRP 75 3HZ TRP 75 11.548 -0.564 0.897 548 HH2 TRP 75 HH TRP 75 10.817 1.302 2.297 549 H LYS 76 H LYS 76 4.937 -6.282 0.012 550 HA LYS 76 HA LYS 76 6.188 -7.414 -2.346 551 HB2 LYS 76 2HB LYS 76 4.529 -8.635 -0.130 552 HB3 LYS 76 1HB LYS 76 5.249 -9.560 -1.440 553 HG2 LYS 76 2HG LYS 76 7.403 -9.218 -0.666 554 HG3 LYS 76 1HG LYS 76 6.948 -7.814 0.294 555 HD2 LYS 76 2HD LYS 76 5.563 -10.258 1.100 556 HD3 LYS 76 1HD LYS 76 7.315 -10.370 1.259 557 HE2 LYS 76 2HE LYS 76 5.648 -8.114 2.391 558 HE3 LYS 76 1HE LYS 76 6.140 -9.542 3.301 559 HZ1 LYS 76 3HZ LYS 76 7.659 -7.207 2.620 560 HZ2 LYS 76 1HZ LYS 76 8.472 -8.643 2.246 561 HZ3 LYS 76 2HZ LYS 76 7.937 -8.360 3.825 562 H ASP 77 H ASP 77 2.950 -6.765 -1.132 563 HA ASP 77 HA ASP 77 1.633 -7.853 -3.483 564 HB2 ASP 77 2HB ASP 77 0.820 -6.940 -0.802 565 HB3 ASP 77 1HB ASP 77 -0.342 -6.609 -2.080 566 H ILE 78 H ILE 78 3.290 -5.122 -3.059 567 HA ILE 78 HA ILE 78 1.371 -3.370 -4.422 568 HB ILE 78 HB ILE 78 3.873 -2.714 -2.861 569 HG12 ILE 78 2HG1 ILE 78 1.069 -1.710 -2.385 570 HG13 ILE 78 1HG1 ILE 78 1.596 -3.268 -1.761 571 HG21 ILE 78 1HG2 ILE 78 2.658 -0.304 -3.364 572 HG22 ILE 78 2HG2 ILE 78 2.490 -1.142 -4.909 573 HG23 ILE 78 3HG2 ILE 78 4.087 -0.911 -4.200 574 HD11 ILE 78 3HD1 ILE 78 1.944 -0.708 -0.637 575 HD12 ILE 78 1HD1 ILE 78 3.536 -1.351 -1.038 576 HD13 ILE 78 2HD1 ILE 78 2.448 -2.275 -0.004 577 H SER 79 H SER 79 1.767 -2.472 -6.361 578 HA SER 79 HA SER 79 4.293 -3.052 -7.746 579 HB2 SER 79 2HB SER 79 1.880 -4.317 -8.343 580 HB3 SER 79 1HB SER 79 1.986 -3.030 -9.548 581 HG SER 79 HG SER 79 3.348 -5.349 -9.412 582 HA PRO 80 HA PRO 80 3.857 1.521 -7.962 583 HB2 PRO 80 2HB PRO 80 6.254 1.087 -9.697 584 HB3 PRO 80 1HB PRO 80 5.992 2.283 -8.422 585 HG2 PRO 80 2HG PRO 80 7.504 0.179 -7.930 586 HG3 PRO 80 1HG PRO 80 6.328 0.724 -6.715 587 HD2 PRO 80 2HD PRO 80 6.156 -1.589 -8.616 588 HD3 PRO 80 1HD PRO 80 5.662 -1.489 -6.912 589 H ALA 81 H ALA 81 2.431 2.427 -9.250 590 HA ALA 81 HA ALA 81 1.803 1.414 -11.860 591 HB1 ALA 81 3HB ALA 81 0.734 3.661 -10.184 592 HB2 ALA 81 1HB ALA 81 -0.043 2.138 -10.618 593 HB3 ALA 81 2HB ALA 81 0.185 3.391 -11.838 594 H ALA 82 H ALA 82 2.580 2.047 -13.757 595 HA ALA 82 HA ALA 82 3.795 4.715 -14.022 596 HB1 ALA 82 3HB ALA 82 5.542 3.706 -15.481 597 HB2 ALA 82 1HB ALA 82 4.955 2.111 -15.009 598 HB3 ALA 82 2HB ALA 82 5.639 3.195 -13.797 599 H LEU 83 H LEU 83 3.454 5.764 -15.933 600 HA LEU 83 HA LEU 83 2.364 6.413 -17.816 601 HB2 LEU 83 2HB LEU 83 3.066 3.573 -18.482 602 HB3 LEU 83 1HB LEU 83 2.140 4.542 -19.611 603 HG LEU 83 HG LEU 83 4.322 6.151 -18.939 604 HD11 LEU 83 1HD1 LEU 83 6.266 4.824 -19.218 605 HD12 LEU 83 2HD1 LEU 83 5.313 3.381 -19.565 606 HD13 LEU 83 3HD1 LEU 83 5.311 4.070 -17.942 607 HD21 LEU 83 3HD2 LEU 83 3.281 6.033 -21.118 608 HD22 LEU 83 1HD2 LEU 83 3.841 4.373 -21.328 609 HD23 LEU 83 2HD2 LEU 83 5.006 5.696 -21.264 610 HA ALA 331 HA ALA 331 -18.035 -5.803 -5.798 611 HB1 ALA 331 3HB ALA 331 -16.471 -3.878 -6.120 612 HB2 ALA 331 1HB ALA 331 -15.259 -5.033 -6.675 613 HB3 ALA 331 2HB ALA 331 -15.880 -5.130 -5.028 614 H THR 332 H THR 332 -19.415 -4.635 -6.980 615 HA THR 332 HA THR 332 -19.157 -4.754 -9.896 616 HB THR 332 HB THR 332 -21.249 -5.661 -9.107 617 HG1 THR 332 1HG THR 332 -21.342 -4.412 -11.034 618 HG21 THR 332 1HG2 THR 332 -21.912 -2.990 -7.857 619 HG22 THR 332 2HG2 THR 332 -21.363 -4.397 -6.946 620 HG23 THR 332 3HG2 THR 332 -22.889 -4.459 -7.827 621 H GLY 333 H GLY 333 -19.210 -2.963 -11.201 622 HA2 GLY 333 2HA GLY 333 -19.588 -0.615 -11.590 623 HA3 GLY 333 1HA GLY 333 -19.239 -0.322 -9.894 624 H GLY 334 H GLY 334 -18.050 1.089 -12.018 625 HA2 GLY 334 2HA GLY 334 -15.269 0.097 -11.959 626 HA3 GLY 334 1HA GLY 334 -15.935 1.092 -13.243 627 H VAL 335 H VAL 335 -14.589 1.034 -10.051 628 HA VAL 335 HA VAL 335 -14.754 3.957 -9.858 629 HB VAL 335 HB VAL 335 -13.691 3.403 -7.495 630 HG11 VAL 335 1HG1 VAL 335 -16.017 3.265 -6.589 631 HG12 VAL 335 2HG1 VAL 335 -16.586 3.125 -8.252 632 HG13 VAL 335 3HG1 VAL 335 -15.736 4.580 -7.730 633 HG21 VAL 335 3HG2 VAL 335 -15.421 0.977 -7.687 634 HG22 VAL 335 1HG2 VAL 335 -14.104 1.333 -6.569 635 HG23 VAL 335 2HG2 VAL 335 -13.748 0.868 -8.232 636 H M3L 336 H M3L 336 -12.243 1.765 -8.573 637 HA M3L 336 HA M3L 336 -10.084 3.446 -9.007 638 HB2 M3L 336 1HB M3L 336 -8.678 1.333 -8.911 639 HB3 M3L 336 2HB M3L 336 -10.187 0.435 -8.833 640 HG2 M3L 336 1HG M3L 336 -10.077 2.585 -6.887 641 HG3 M3L 336 2HG M3L 336 -8.768 1.429 -6.683 642 HD2 M3L 336 1HD M3L 336 -10.219 -0.340 -6.296 643 HD3 M3L 336 2HD M3L 336 -11.580 0.487 -7.058 644 HE2 M3L 336 1HE M3L 336 -12.208 1.388 -5.126 645 HE3 M3L 336 2HE M3L 336 -10.608 2.039 -4.838 646 HM11 M3L 336 1HM1 M3L 336 -9.383 -1.162 -3.353 647 HM12 M3L 336 2HM1 M3L 336 -9.110 0.467 -2.850 648 HM13 M3L 336 3HM1 M3L 336 -8.920 0.038 -4.509 649 HM21 M3L 336 1HM2 M3L 336 -12.680 -0.867 -4.664 650 HM22 M3L 336 2HM2 M3L 336 -12.048 -1.552 -3.211 651 HM23 M3L 336 3HM2 M3L 336 -11.218 -1.788 -4.707 652 HM31 M3L 336 3HM3 M3L 336 -11.213 1.875 -2.605 653 HM32 M3L 336 1HM3 M3L 336 -11.079 0.373 -1.759 654 HM33 M3L 336 2HM3 M3L 336 -12.548 0.780 -2.566 655 H LYS 337 H LYS 337 -8.269 3.337 -10.443 656 HA LYS 337 HA LYS 337 -8.920 2.353 -13.146 657 HB2 LYS 337 2HB LYS 337 -7.591 4.996 -12.479 658 HB3 LYS 337 1HB LYS 337 -7.910 4.386 -14.093 659 HG2 LYS 337 2HG LYS 337 -9.774 5.621 -13.991 660 HG3 LYS 337 1HG LYS 337 -10.404 4.324 -12.979 661 HD2 LYS 337 2HD LYS 337 -10.821 6.035 -11.548 662 HD3 LYS 337 1HD LYS 337 -9.131 5.805 -11.091 663 HE2 LYS 337 2HE LYS 337 -8.637 7.492 -12.993 664 HE3 LYS 337 1HE LYS 337 -10.349 7.893 -12.876 665 HZ1 LYS 337 3HZ LYS 337 -8.208 8.681 -11.189 666 HZ2 LYS 337 1HZ LYS 337 -9.403 7.892 -10.288 667 HZ3 LYS 337 2HZ LYS 337 -9.801 9.245 -11.222 668 HA PRO 338 HA PRO 338 -4.569 1.070 -11.733 669 HB2 PRO 338 2HB PRO 338 -5.461 -1.696 -11.656 670 HB3 PRO 338 1HB PRO 338 -4.770 -0.725 -10.356 671 HG2 PRO 338 2HG PRO 338 -7.338 -1.538 -10.336 672 HG3 PRO 338 1HG PRO 338 -6.819 0.012 -9.647 673 HD2 PRO 338 2HD PRO 338 -8.025 -0.535 -12.352 674 HD3 PRO 338 1HD PRO 338 -8.489 0.698 -11.155 675 H HIS 339 H HIS 339 -3.505 -1.215 -12.467 676 HA HIS 339 HA HIS 339 -2.606 -1.012 -15.037 677 HB2 HIS 339 2HB HIS 339 -2.198 -2.585 -12.827 678 HB3 HIS 339 1HB HIS 339 -2.760 -3.752 -13.998 679 HD1 HIS 339 1HD HIS 339 -1.150 -2.086 -16.376 680 HD2 HIS 339 2HD HIS 339 0.309 -3.738 -12.847 681 HE1 HIS 339 1HE HIS 339 1.304 -2.462 -16.781 682 HE2 HIS 339 2HE HIS 339 2.187 -3.370 -14.601 683 H ARG 340 H ARG 340 -5.367 -2.902 -13.872 684 HA ARG 340 HA ARG 340 -7.025 -4.086 -14.852 685 HB2 ARG 340 2HB ARG 340 -6.785 -1.668 -16.320 686 HB3 ARG 340 1HB ARG 340 -7.120 -2.947 -17.480 687 HG2 ARG 340 2HG ARG 340 -9.072 -3.617 -16.122 688 HG3 ARG 340 1HG ARG 340 -8.756 -2.252 -15.050 689 HD2 ARG 340 2HD ARG 340 -9.222 -0.682 -16.753 690 HD3 ARG 340 1HD ARG 340 -9.171 -1.919 -18.009 691 HE ARG 340 HE ARG 340 -11.228 -2.836 -16.847 692 HH11 ARG 340 1HH1 ARG 340 -10.469 0.595 -16.818 693 HH12 ARG 340 2HH1 ARG 340 -12.123 1.075 -16.628 694 HH21 ARG 340 1HH2 ARG 340 -13.383 -2.182 -16.598 695 HH22 ARG 340 2HH2 ARG 340 -13.769 -0.497 -16.504 696 H TYR 341 H TYR 341 -5.679 -5.954 -14.831 697 HA TYR 341 HA TYR 341 -4.574 -6.786 -17.412 698 HB2 TYR 341 2HB TYR 341 -3.472 -6.961 -14.959 699 HB3 TYR 341 1HB TYR 341 -4.288 -8.520 -15.024 700 HD1 TYR 341 1HD TYR 341 -3.638 -10.188 -16.689 701 HD2 TYR 341 2HD TYR 341 -1.565 -6.493 -16.352 702 HE1 TYR 341 1HE TYR 341 -1.780 -11.118 -18.009 703 HE2 TYR 341 2HE TYR 341 0.297 -7.408 -17.672 704 HH TYR 341 HH TYR 341 0.500 -9.336 -19.477 Start of MODEL 15 1 HA SER 5 HA SER 5 17.365 -25.043 -3.899 2 HB2 SER 5 2HB SER 5 14.593 -23.852 -4.151 3 HB3 SER 5 1HB SER 5 16.089 -22.926 -4.274 4 HG SER 5 HG SER 5 14.994 -23.841 -6.277 5 H ARG 6 H ARG 6 18.228 -23.741 -2.353 6 HA ARG 6 HA ARG 6 16.942 -23.828 0.278 7 HB2 ARG 6 2HB ARG 6 19.241 -23.066 1.092 8 HB3 ARG 6 1HB ARG 6 19.121 -24.697 0.456 9 HG2 ARG 6 2HG ARG 6 20.144 -23.997 -1.629 10 HG3 ARG 6 1HG ARG 6 20.179 -22.322 -1.075 11 HD2 ARG 6 2HD ARG 6 22.343 -23.057 -0.656 12 HD3 ARG 6 1HD ARG 6 21.552 -23.247 0.907 13 HE ARG 6 HE ARG 6 21.416 -25.616 0.472 14 HH11 ARG 6 1HH1 ARG 6 23.527 -23.846 -1.709 15 HH12 ARG 6 2HH1 ARG 6 24.426 -25.255 -2.163 16 HH21 ARG 6 1HH2 ARG 6 22.608 -27.443 -0.137 17 HH22 ARG 6 2HH2 ARG 6 23.905 -27.288 -1.274 18 H LEU 7 H LEU 7 16.616 -22.012 1.541 19 HA LEU 7 HA LEU 7 16.844 -19.427 0.146 20 HB2 LEU 7 2HB LEU 7 14.619 -20.544 1.825 21 HB3 LEU 7 1HB LEU 7 14.818 -18.812 1.631 22 HG LEU 7 HG LEU 7 14.860 -20.156 -0.934 23 HD11 LEU 7 1HD1 LEU 7 13.456 -21.818 0.066 24 HD12 LEU 7 2HD1 LEU 7 12.446 -20.759 -0.917 25 HD13 LEU 7 3HD1 LEU 7 12.461 -20.584 0.837 26 HD21 LEU 7 3HD2 LEU 7 14.504 -17.741 -0.519 27 HD22 LEU 7 1HD2 LEU 7 12.955 -18.129 0.230 28 HD23 LEU 7 2HD2 LEU 7 13.222 -18.478 -1.478 29 H SER 8 H SER 8 16.609 -20.938 3.368 30 HA SER 8 HA SER 8 17.598 -20.548 5.363 31 HB2 SER 8 2HB SER 8 19.502 -19.110 3.569 32 HB3 SER 8 1HB SER 8 19.616 -18.816 5.303 33 HG SER 8 HG SER 8 19.388 -21.468 4.545 34 H ARG 9 H ARG 9 17.370 -17.448 3.605 35 HA ARG 9 HA ARG 9 16.217 -16.227 6.026 36 HB2 ARG 9 2HB ARG 9 17.885 -15.146 3.784 37 HB3 ARG 9 1HB ARG 9 16.796 -14.066 4.643 38 HG2 ARG 9 2HG ARG 9 17.921 -14.426 6.701 39 HG3 ARG 9 1HG ARG 9 18.863 -15.756 6.022 40 HD2 ARG 9 2HD ARG 9 20.176 -14.318 4.727 41 HD3 ARG 9 1HD ARG 9 19.025 -12.990 4.875 42 HE ARG 9 HE ARG 9 20.057 -13.707 7.415 43 HH11 ARG 9 1HH1 ARG 9 20.974 -11.998 4.488 44 HH12 ARG 9 2HH1 ARG 9 22.112 -10.977 5.302 45 HH21 ARG 9 1HH2 ARG 9 21.552 -12.361 8.461 46 HH22 ARG 9 2HH2 ARG 9 22.438 -11.184 7.550 47 H SER 10 H SER 10 14.546 -14.529 5.611 48 HA SER 10 HA SER 10 12.547 -15.551 3.787 49 HB2 SER 10 2HB SER 10 11.115 -13.735 4.813 50 HB3 SER 10 1HB SER 10 11.756 -14.914 5.958 51 HG SER 10 HG SER 10 13.563 -13.199 6.057 52 H GLY 11 H GLY 11 12.828 -15.067 1.713 53 HA2 GLY 11 2HA GLY 11 12.436 -13.577 -0.091 54 HA3 GLY 11 1HA GLY 11 12.920 -12.240 0.941 55 H ALA 12 H ALA 12 14.295 -15.238 -0.404 56 HA ALA 12 HA ALA 12 16.924 -13.980 -0.593 57 HB1 ALA 12 3HB ALA 12 17.833 -16.086 -0.681 58 HB2 ALA 12 1HB ALA 12 16.416 -16.783 -1.468 59 HB3 ALA 12 2HB ALA 12 16.369 -16.399 0.253 60 H SER 13 H SER 13 14.319 -15.097 -2.651 61 HA SER 13 HA SER 13 15.879 -14.779 -5.086 62 HB2 SER 13 2HB SER 13 13.708 -15.443 -6.202 63 HB3 SER 13 1HB SER 13 14.381 -16.643 -5.098 64 HG SER 13 HG SER 13 12.228 -14.861 -4.625 65 H SER 14 H SER 14 13.173 -13.193 -3.434 66 HA SER 14 HA SER 14 13.549 -10.866 -5.195 67 HB2 SER 14 2HB SER 14 11.364 -12.356 -5.451 68 HB3 SER 14 1HB SER 14 10.838 -11.408 -4.061 69 HG SER 14 HG SER 14 11.374 -10.595 -6.679 70 H LEU 15 H LEU 15 14.388 -9.293 -4.031 71 HA LEU 15 HA LEU 15 13.218 -8.636 -1.424 72 HB2 LEU 15 2HB LEU 15 15.583 -9.940 -1.502 73 HB3 LEU 15 1HB LEU 15 16.161 -8.298 -1.665 74 HG LEU 15 HG LEU 15 16.239 -9.134 0.659 75 HD11 LEU 15 1HD1 LEU 15 14.388 -6.813 0.177 76 HD12 LEU 15 2HD1 LEU 15 16.139 -6.769 0.374 77 HD13 LEU 15 3HD1 LEU 15 15.109 -7.209 1.737 78 HD21 LEU 15 3HD2 LEU 15 13.807 -10.266 0.170 79 HD22 LEU 15 1HD2 LEU 15 13.370 -8.868 1.153 80 HD23 LEU 15 2HD2 LEU 15 14.528 -10.051 1.764 81 H TRP 16 H TRP 16 15.412 -7.604 -4.028 82 HA TRP 16 HA TRP 16 14.346 -4.880 -3.756 83 HB2 TRP 16 2HB TRP 16 16.688 -4.055 -4.395 84 HB3 TRP 16 1HB TRP 16 16.457 -4.617 -2.746 85 HD1 TRP 16 HD TRP 16 17.913 -6.635 -1.938 86 HE1 TRP 16 1HE TRP 16 19.835 -7.985 -2.987 87 HE3 TRP 16 3HE TRP 16 17.532 -4.992 -6.776 88 HZ2 TRP 16 2HZ TRP 16 21.032 -8.313 -5.517 89 HZ3 TRP 16 3HZ TRP 16 19.109 -5.877 -8.444 90 HH2 TRP 16 HH TRP 16 20.821 -7.503 -7.826 91 H ASP 17 H ASP 17 14.390 -3.596 -5.653 92 HA ASP 17 HA ASP 17 14.109 -5.160 -8.099 93 HB2 ASP 17 2HB ASP 17 12.925 -2.753 -7.010 94 HB3 ASP 17 1HB ASP 17 13.535 -2.462 -8.636 95 HA PRO 18 HA PRO 18 17.890 -3.952 -10.141 96 HB2 PRO 18 2HB PRO 18 16.977 -2.862 -12.532 97 HB3 PRO 18 1HB PRO 18 17.250 -4.580 -12.232 98 HG2 PRO 18 2HG PRO 18 14.703 -3.016 -12.127 99 HG3 PRO 18 1HG PRO 18 14.992 -4.649 -12.756 100 HD2 PRO 18 2HD PRO 18 13.840 -4.286 -10.379 101 HD3 PRO 18 1HD PRO 18 15.012 -5.597 -10.629 102 H ALA 19 H ALA 19 19.259 -2.215 -10.487 103 HA ALA 19 HA ALA 19 18.288 0.346 -9.505 104 HB1 ALA 19 3HB ALA 19 20.715 0.937 -9.459 105 HB2 ALA 19 1HB ALA 19 21.061 -0.697 -10.028 106 HB3 ALA 19 2HB ALA 19 20.274 -0.454 -8.467 107 H SER 20 H SER 20 19.153 -1.094 -12.519 108 HA SER 20 HA SER 20 19.229 -0.374 -14.665 109 HB2 SER 20 2HB SER 20 17.605 1.815 -13.410 110 HB3 SER 20 1HB SER 20 18.106 1.958 -15.094 111 HG SER 20 HG SER 20 16.618 0.578 -15.598 112 HA PRO 21 HA PRO 21 22.953 2.000 -15.325 113 HB2 PRO 21 2HB PRO 21 21.753 3.304 -17.703 114 HB3 PRO 21 1HB PRO 21 23.217 2.322 -17.579 115 HG2 PRO 21 2HG PRO 21 21.025 1.340 -18.719 116 HG3 PRO 21 1HG PRO 21 22.039 0.323 -17.677 117 HD2 PRO 21 2HD PRO 21 19.439 1.678 -17.048 118 HD3 PRO 21 1HD PRO 21 19.985 0.041 -16.634 119 H ALA 22 H ALA 22 23.883 4.159 -15.425 120 HA ALA 22 HA ALA 22 22.266 6.084 -13.986 121 HB1 ALA 22 3HB ALA 22 25.108 6.585 -14.760 122 HB2 ALA 22 1HB ALA 22 24.723 5.410 -13.502 123 HB3 ALA 22 2HB ALA 22 24.231 7.094 -13.319 124 HA PRO 23 HA PRO 23 23.509 8.819 -17.903 125 HB2 PRO 23 2HB PRO 23 23.761 7.393 -20.240 126 HB3 PRO 23 1HB PRO 23 25.121 7.938 -19.254 127 HG2 PRO 23 2HG PRO 23 23.795 5.253 -19.338 128 HG3 PRO 23 1HG PRO 23 25.524 5.646 -19.271 129 HD2 PRO 23 2HD PRO 23 24.198 4.869 -17.083 130 HD3 PRO 23 1HD PRO 23 25.456 6.118 -16.999 131 H THR 24 H THR 24 21.463 6.005 -17.930 132 HA THR 24 HA THR 24 19.561 7.240 -19.781 133 HB THR 24 HB THR 24 18.290 5.030 -19.398 134 HG1 THR 24 1HG THR 24 20.312 4.686 -17.696 135 HG21 THR 24 1HG2 THR 24 19.860 3.804 -20.953 136 HG22 THR 24 2HG2 THR 24 20.957 5.175 -20.792 137 HG23 THR 24 3HG2 THR 24 19.354 5.405 -21.489 138 H SER 25 H SER 25 19.650 5.913 -16.473 139 HA SER 25 HA SER 25 17.391 7.665 -15.777 140 HB2 SER 25 2HB SER 25 17.105 4.957 -15.992 141 HB3 SER 25 1HB SER 25 17.516 5.127 -14.286 142 HG SER 25 HG SER 25 15.200 5.679 -15.529 143 H GLY 26 H GLY 26 17.337 8.421 -13.638 144 HA2 GLY 26 2HA GLY 26 19.913 8.189 -12.207 145 HA3 GLY 26 1HA GLY 26 18.917 9.638 -12.217 146 HA PRO 27 HA PRO 27 17.083 8.213 -8.417 147 HB2 PRO 27 2HB PRO 27 14.629 9.372 -8.476 148 HB3 PRO 27 1HB PRO 27 16.114 10.284 -8.189 149 HG2 PRO 27 2HG PRO 27 14.512 10.007 -10.700 150 HG3 PRO 27 1HG PRO 27 15.304 11.445 -10.028 151 HD2 PRO 27 2HD PRO 27 16.360 9.959 -12.060 152 HD3 PRO 27 1HD PRO 27 17.348 10.881 -10.910 153 H ARG 28 H ARG 28 15.852 6.574 -7.584 154 HA ARG 28 HA ARG 28 13.928 5.254 -9.368 155 HB2 ARG 28 2HB ARG 28 14.765 3.035 -8.437 156 HB3 ARG 28 1HB ARG 28 15.809 3.850 -9.587 157 HG2 ARG 28 2HG ARG 28 16.800 4.803 -7.246 158 HG3 ARG 28 1HG ARG 28 16.262 3.196 -6.753 159 HD2 ARG 28 2HD ARG 28 18.418 2.772 -7.457 160 HD3 ARG 28 1HD ARG 28 17.495 2.429 -8.919 161 HE ARG 28 HE ARG 28 18.093 4.914 -9.419 162 HH11 ARG 28 1HH1 ARG 28 20.213 2.544 -7.927 163 HH12 ARG 28 2HH1 ARG 28 21.657 3.291 -8.522 164 HH21 ARG 28 1HH2 ARG 28 19.998 5.876 -10.187 165 HH22 ARG 28 2HH2 ARG 28 21.534 5.177 -9.801 166 HA PRO 29 HA PRO 29 11.752 5.777 -5.389 167 HB2 PRO 29 2HB PRO 29 9.301 6.275 -6.395 168 HB3 PRO 29 1HB PRO 29 10.560 7.511 -6.316 169 HG2 PRO 29 2HG PRO 29 9.570 5.961 -8.654 170 HG3 PRO 29 1HG PRO 29 10.183 7.621 -8.583 171 HD2 PRO 29 2HD PRO 29 11.615 5.360 -9.429 172 HD3 PRO 29 1HD PRO 29 12.308 6.938 -9.013 173 H ARG 30 H ARG 30 10.837 4.228 -4.178 174 HA ARG 30 HA ARG 30 9.553 1.950 -5.537 175 HB2 ARG 30 2HB ARG 30 11.658 2.046 -3.481 176 HB3 ARG 30 1HB ARG 30 10.355 0.922 -3.124 177 HG2 ARG 30 2HG ARG 30 11.502 0.821 -5.854 178 HG3 ARG 30 1HG ARG 30 12.510 0.234 -4.530 179 HD2 ARG 30 2HD ARG 30 9.668 -0.669 -4.749 180 HD3 ARG 30 1HD ARG 30 10.900 -1.403 -5.775 181 HE ARG 30 HE ARG 30 12.040 -1.659 -3.398 182 HH11 ARG 30 1HH1 ARG 30 8.710 -2.307 -4.311 183 HH12 ARG 30 2HH1 ARG 30 8.503 -3.543 -3.115 184 HH21 ARG 30 1HH2 ARG 30 11.746 -3.280 -1.842 185 HH22 ARG 30 2HH2 ARG 30 10.220 -4.092 -1.718 186 H LEU 31 H LEU 31 9.681 3.722 -2.443 187 HA LEU 31 HA LEU 31 6.788 3.732 -2.256 188 HB2 LEU 31 2HB LEU 31 8.506 2.036 -0.531 189 HB3 LEU 31 1HB LEU 31 7.307 2.990 0.309 190 HG LEU 31 HG LEU 31 6.154 1.025 0.034 191 HD11 LEU 31 1HD1 LEU 31 4.435 1.286 -1.494 192 HD12 LEU 31 2HD1 LEU 31 5.466 2.081 -2.679 193 HD13 LEU 31 3HD1 LEU 31 4.998 2.931 -1.205 194 HD21 LEU 31 3HD2 LEU 31 7.719 -0.309 -1.073 195 HD22 LEU 31 1HD2 LEU 31 7.642 0.667 -2.540 196 HD23 LEU 31 2HD2 LEU 31 6.273 -0.346 -2.082 197 H TRP 32 H TRP 32 6.357 5.779 -1.928 198 HA TRP 32 HA TRP 32 7.607 7.235 0.255 199 HB2 TRP 32 2HB TRP 32 8.221 9.187 -1.118 200 HB3 TRP 32 1HB TRP 32 9.119 7.761 -1.609 201 HD1 TRP 32 HD TRP 32 7.978 6.495 -3.907 202 HE1 TRP 32 1HE TRP 32 7.106 7.647 -6.031 203 HE3 TRP 32 3HE TRP 32 7.241 11.215 -2.055 204 HZ2 TRP 32 2HZ TRP 32 6.231 10.203 -6.830 205 HZ3 TRP 32 3HZ TRP 32 6.387 12.952 -3.572 206 HH2 TRP 32 HH TRP 32 5.893 12.455 -5.911 207 H GLU 33 H GLU 33 6.487 9.331 0.693 208 HA GLU 33 HA GLU 33 3.680 8.995 0.706 209 HB2 GLU 33 2HB GLU 33 5.541 11.196 1.501 210 HB3 GLU 33 1HB GLU 33 3.815 11.524 1.422 211 HG2 GLU 33 2HG GLU 33 3.441 9.619 2.968 212 HG3 GLU 33 1HG GLU 33 5.190 9.459 3.122 213 H GLY 34 H GLY 34 2.320 9.236 -0.909 214 HA2 GLY 34 2HA GLY 34 1.135 10.504 -2.506 215 HA3 GLY 34 1HA GLY 34 2.543 11.531 -2.715 216 H GLN 35 H GLN 35 2.725 8.040 -2.707 217 HA GLN 35 HA GLN 35 3.597 8.108 -5.508 218 HB2 GLN 35 2HB GLN 35 5.328 7.115 -4.323 219 HB3 GLN 35 1HB GLN 35 4.250 6.418 -3.124 220 HG2 GLN 35 2HG GLN 35 4.510 4.445 -4.126 221 HG3 GLN 35 1HG GLN 35 3.665 5.098 -5.534 222 HE21 GLN 35 1HE2 GLN 35 6.091 3.293 -4.887 223 HE22 GLN 35 2HE2 GLN 35 7.279 3.815 -6.020 224 H ASP 36 H ASP 36 2.175 7.467 -7.005 225 HA ASP 36 HA ASP 36 -0.280 6.171 -6.321 226 HB2 ASP 36 2HB ASP 36 0.997 6.727 -9.002 227 HB3 ASP 36 1HB ASP 36 -0.573 5.966 -8.827 228 H VAL 37 H VAL 37 -0.364 4.186 -5.687 229 HA VAL 37 HA VAL 37 1.495 2.204 -6.806 230 HB VAL 37 HB VAL 37 1.068 0.922 -4.691 231 HG11 VAL 37 1HG1 VAL 37 2.326 3.637 -4.379 232 HG12 VAL 37 2HG1 VAL 37 3.108 2.193 -5.019 233 HG13 VAL 37 3HG1 VAL 37 2.603 2.247 -3.331 234 HG21 VAL 37 3HG2 VAL 37 -1.063 2.317 -4.170 235 HG22 VAL 37 1HG2 VAL 37 0.062 3.460 -3.437 236 HG23 VAL 37 2HG2 VAL 37 -0.032 1.804 -2.839 237 H LEU 38 H LEU 38 0.765 -0.013 -6.752 238 HA LEU 38 HA LEU 38 -2.108 -0.287 -7.294 239 HB2 LEU 38 2HB LEU 38 0.234 -1.643 -8.615 240 HB3 LEU 38 1HB LEU 38 -1.432 -2.133 -8.852 241 HG LEU 38 HG LEU 38 -0.453 0.647 -9.483 242 HD11 LEU 38 1HD1 LEU 38 0.774 -0.344 -11.081 243 HD12 LEU 38 2HD1 LEU 38 -0.779 -0.486 -11.905 244 HD13 LEU 38 3HD1 LEU 38 -0.136 -1.853 -10.997 245 HD21 LEU 38 3HD2 LEU 38 -2.997 -0.679 -9.493 246 HD22 LEU 38 1HD2 LEU 38 -2.582 -0.137 -11.119 247 HD23 LEU 38 2HD2 LEU 38 -2.619 1.016 -9.785 248 H ALA 39 H ALA 39 -2.823 -1.015 -5.480 249 HA ALA 39 HA ALA 39 -1.422 -3.075 -3.971 250 HB1 ALA 39 3HB ALA 39 -2.832 -0.859 -3.218 251 HB2 ALA 39 1HB ALA 39 -2.506 -2.238 -2.173 252 HB3 ALA 39 2HB ALA 39 -4.043 -2.126 -3.020 253 H ARG 40 H ARG 40 -1.739 -5.070 -4.716 254 HA ARG 40 HA ARG 40 -3.999 -5.898 -6.233 255 HB2 ARG 40 2HB ARG 40 -1.453 -6.818 -5.875 256 HB3 ARG 40 1HB ARG 40 -2.370 -7.978 -4.937 257 HG2 ARG 40 2HG ARG 40 -3.469 -8.822 -6.777 258 HG3 ARG 40 1HG ARG 40 -3.261 -7.342 -7.711 259 HD2 ARG 40 2HD ARG 40 -1.815 -8.892 -8.710 260 HD3 ARG 40 1HD ARG 40 -0.771 -7.883 -7.715 261 HE ARG 40 HE ARG 40 -1.476 -10.032 -6.137 262 HH11 ARG 40 1HH1 ARG 40 0.216 -9.610 -9.186 263 HH12 ARG 40 2HH1 ARG 40 1.199 -11.019 -8.968 264 HH21 ARG 40 1HH2 ARG 40 -0.177 -11.873 -5.872 265 HH22 ARG 40 2HH2 ARG 40 0.975 -12.299 -7.094 266 H TRP 41 H TRP 41 -5.918 -6.584 -5.561 267 HA TRP 41 HA TRP 41 -6.423 -6.961 -2.739 268 HB2 TRP 41 2HB TRP 41 -7.924 -5.595 -4.138 269 HB3 TRP 41 1HB TRP 41 -8.369 -7.024 -5.056 270 HD1 TRP 41 HD TRP 41 -8.168 -6.890 -1.170 271 HE1 TRP 41 1HE TRP 41 -10.519 -7.363 -0.235 272 HE3 TRP 41 3HE TRP 41 -10.761 -7.034 -5.552 273 HZ2 TRP 41 2HZ TRP 41 -13.135 -7.741 -1.230 274 HZ3 TRP 41 3HZ TRP 41 -13.192 -7.452 -5.488 275 HH2 TRP 41 HH TRP 41 -14.351 -7.799 -3.366 276 H THR 42 H THR 42 -7.525 -8.784 -1.855 277 HA THR 42 HA THR 42 -6.308 -11.247 -2.519 278 HB THR 42 HB THR 42 -7.993 -12.174 -0.802 279 HG1 THR 42 1HG THR 42 -8.371 -9.380 -0.376 280 HG21 THR 42 1HG2 THR 42 -6.038 -9.994 -0.062 281 HG22 THR 42 2HG2 THR 42 -5.677 -11.710 -0.251 282 HG23 THR 42 3HG2 THR 42 -6.720 -11.167 1.063 283 H ASP 43 H ASP 43 -9.023 -9.856 -3.958 284 HA ASP 43 HA ASP 43 -10.367 -12.389 -4.486 285 HB2 ASP 43 2HB ASP 43 -11.104 -9.572 -4.591 286 HB3 ASP 43 1HB ASP 43 -11.639 -10.460 -6.017 287 H GLY 44 H GLY 44 -7.826 -10.692 -5.811 288 HA2 GLY 44 2HA GLY 44 -6.630 -11.674 -7.667 289 HA3 GLY 44 1HA GLY 44 -8.178 -12.057 -8.399 290 H LEU 45 H LEU 45 -8.956 -9.183 -7.431 291 HA LEU 45 HA LEU 45 -8.165 -7.889 -9.915 292 HB2 LEU 45 2HB LEU 45 -10.193 -7.222 -7.794 293 HB3 LEU 45 1HB LEU 45 -9.809 -6.123 -9.109 294 HG LEU 45 HG LEU 45 -10.438 -8.787 -10.082 295 HD11 LEU 45 1HD1 LEU 45 -12.836 -8.698 -9.564 296 HD12 LEU 45 2HD1 LEU 45 -12.540 -7.332 -8.488 297 HD13 LEU 45 3HD1 LEU 45 -11.848 -8.911 -8.119 298 HD21 LEU 45 3HD2 LEU 45 -11.858 -7.555 -11.577 299 HD22 LEU 45 1HD2 LEU 45 -10.325 -6.698 -11.411 300 HD23 LEU 45 2HD2 LEU 45 -11.756 -6.120 -10.557 301 H LEU 46 H LEU 46 -7.299 -5.785 -10.007 302 HA LEU 46 HA LEU 46 -5.384 -5.200 -7.911 303 HB2 LEU 46 2HB LEU 46 -4.840 -5.215 -10.385 304 HB3 LEU 46 1HB LEU 46 -5.847 -3.788 -10.538 305 HG LEU 46 HG LEU 46 -4.271 -2.585 -9.029 306 HD11 LEU 46 1HD1 LEU 46 -1.975 -4.201 -9.385 307 HD12 LEU 46 2HD1 LEU 46 -3.216 -5.204 -8.640 308 HD13 LEU 46 3HD1 LEU 46 -2.731 -3.694 -7.873 309 HD21 LEU 46 3HD2 LEU 46 -3.686 -3.665 -11.705 310 HD22 LEU 46 1HD2 LEU 46 -2.351 -2.874 -10.869 311 HD23 LEU 46 2HD2 LEU 46 -3.851 -2.001 -11.161 312 H TYR 47 H TYR 47 -5.039 -2.931 -7.223 313 HA TYR 47 HA TYR 47 -7.445 -1.255 -7.133 314 HB2 TYR 47 2HB TYR 47 -5.960 -2.378 -4.758 315 HB3 TYR 47 1HB TYR 47 -6.774 -0.830 -4.643 316 HD1 TYR 47 1HD TYR 47 -8.976 -2.585 -6.673 317 HD2 TYR 47 2HD TYR 47 -7.492 -2.613 -2.685 318 HE1 TYR 47 1HE TYR 47 -11.032 -3.678 -5.925 319 HE2 TYR 47 2HE TYR 47 -9.549 -3.721 -1.932 320 HH TYR 47 HH TYR 47 -11.947 -3.875 -2.728 321 H LEU 48 H LEU 48 -6.928 0.842 -7.481 322 HA LEU 48 HA LEU 48 -4.098 1.563 -7.551 323 HB2 LEU 48 2HB LEU 48 -5.391 2.069 -9.539 324 HB3 LEU 48 1HB LEU 48 -6.551 2.985 -8.601 325 HG LEU 48 HG LEU 48 -4.560 4.544 -8.045 326 HD11 LEU 48 1HD1 LEU 48 -2.833 4.625 -9.805 327 HD12 LEU 48 2HD1 LEU 48 -3.454 3.105 -10.451 328 HD13 LEU 48 3HD1 LEU 48 -2.753 3.155 -8.833 329 HD21 LEU 48 3HD2 LEU 48 -5.989 4.322 -10.661 330 HD22 LEU 48 1HD2 LEU 48 -4.819 5.614 -10.389 331 HD23 LEU 48 2HD2 LEU 48 -6.232 5.470 -9.344 332 H GLY 49 H GLY 49 -3.183 3.158 -6.341 333 HA2 GLY 49 2HA GLY 49 -4.791 4.800 -4.581 334 HA3 GLY 49 1HA GLY 49 -3.873 3.560 -3.759 335 H THR 50 H THR 50 -3.310 5.878 -2.877 336 HA THR 50 HA THR 50 -0.678 6.544 -4.005 337 HB THR 50 HB THR 50 -1.834 8.845 -2.677 338 HG1 THR 50 1HG THR 50 -3.708 7.705 -3.858 339 HG21 THR 50 1HG2 THR 50 -1.024 9.992 -4.655 340 HG22 THR 50 2HG2 THR 50 -0.864 8.459 -5.513 341 HG23 THR 50 3HG2 THR 50 0.176 8.809 -4.132 342 H ILE 51 H ILE 51 0.894 6.549 -2.563 343 HA ILE 51 HA ILE 51 0.503 5.432 -0.021 344 HB ILE 51 HB ILE 51 2.960 6.781 -1.138 345 HG12 ILE 51 2HG1 ILE 51 2.068 4.890 -2.480 346 HG13 ILE 51 1HG1 ILE 51 3.659 4.556 -1.817 347 HG21 ILE 51 1HG2 ILE 51 2.596 5.097 1.327 348 HG22 ILE 51 2HG2 ILE 51 3.410 6.653 1.162 349 HG23 ILE 51 3HG2 ILE 51 4.150 5.196 0.497 350 HD11 ILE 51 3HD1 ILE 51 1.189 3.123 -1.481 351 HD12 ILE 51 1HD1 ILE 51 1.870 3.571 0.078 352 HD13 ILE 51 2HD1 ILE 51 2.823 2.637 -1.067 353 H LYS 52 H LYS 52 -0.225 6.251 1.726 354 HA LYS 52 HA LYS 52 0.017 9.118 2.286 355 HB2 LYS 52 2HB LYS 52 -1.936 7.061 2.883 356 HB3 LYS 52 1HB LYS 52 -1.433 7.882 4.352 357 HG2 LYS 52 2HG LYS 52 -2.157 9.562 2.009 358 HG3 LYS 52 1HG LYS 52 -3.454 8.747 2.881 359 HD2 LYS 52 2HD LYS 52 -2.767 9.789 4.956 360 HD3 LYS 52 1HD LYS 52 -1.379 10.530 4.155 361 HE2 LYS 52 2HE LYS 52 -2.925 12.260 4.217 362 HE3 LYS 52 1HE LYS 52 -3.144 11.597 2.598 363 HZ1 LYS 52 3HZ LYS 52 -5.292 11.617 3.217 364 HZ2 LYS 52 1HZ LYS 52 -4.948 11.570 4.874 365 HZ3 LYS 52 2HZ LYS 52 -4.903 10.147 3.959 366 H LYS 53 H LYS 53 1.184 6.009 3.318 367 HA LYS 53 HA LYS 53 3.075 7.268 5.136 368 HB2 LYS 53 2HB LYS 53 0.759 6.073 6.188 369 HB3 LYS 53 1HB LYS 53 2.028 4.883 6.415 370 HG2 LYS 53 2HG LYS 53 2.188 6.059 8.372 371 HG3 LYS 53 1HG LYS 53 3.370 6.908 7.378 372 HD2 LYS 53 2HD LYS 53 0.813 8.110 6.957 373 HD3 LYS 53 1HD LYS 53 1.085 7.972 8.694 374 HE2 LYS 53 2HE LYS 53 3.185 9.137 8.501 375 HE3 LYS 53 1HE LYS 53 3.055 9.156 6.743 376 HZ1 LYS 53 3HZ LYS 53 0.932 10.457 7.110 377 HZ2 LYS 53 1HZ LYS 53 2.378 11.269 7.447 378 HZ3 LYS 53 2HZ LYS 53 1.435 10.659 8.711 379 H VAL 54 H VAL 54 4.811 5.765 5.785 380 HA VAL 54 HA VAL 54 5.086 3.430 4.027 381 HB VAL 54 HB VAL 54 7.147 5.640 4.287 382 HG11 VAL 54 1HG1 VAL 54 8.764 4.356 3.231 383 HG12 VAL 54 2HG1 VAL 54 7.586 3.207 2.599 384 HG13 VAL 54 3HG1 VAL 54 8.012 3.180 4.309 385 HG21 VAL 54 3HG2 VAL 54 6.741 6.176 2.098 386 HG22 VAL 54 1HG2 VAL 54 5.134 5.631 2.577 387 HG23 VAL 54 2HG2 VAL 54 6.202 4.549 1.684 388 H ASP 55 H ASP 55 5.933 1.711 4.941 389 HA ASP 55 HA ASP 55 7.291 1.950 7.540 390 HB2 ASP 55 2HB ASP 55 5.033 0.181 6.690 391 HB3 ASP 55 1HB ASP 55 6.241 -0.499 7.782 392 H SER 56 H SER 56 9.264 1.992 6.352 393 HA SER 56 HA SER 56 10.035 -0.146 4.606 394 HB2 SER 56 2HB SER 56 11.707 2.027 5.885 395 HB3 SER 56 1HB SER 56 12.224 0.974 4.567 396 HG SER 56 HG SER 56 9.852 2.206 4.048 397 H ALA 57 H ALA 57 9.683 -0.176 7.872 398 HA ALA 57 HA ALA 57 12.081 -1.689 8.525 399 HB1 ALA 57 3HB ALA 57 9.744 -1.217 10.353 400 HB2 ALA 57 1HB ALA 57 10.976 0.012 10.064 401 HB3 ALA 57 2HB ALA 57 11.426 -1.538 10.775 402 H ARG 58 H ARG 58 8.601 -2.239 8.181 403 HA ARG 58 HA ARG 58 9.041 -5.134 8.474 404 HB2 ARG 58 2HB ARG 58 6.663 -3.375 8.985 405 HB3 ARG 58 1HB ARG 58 6.444 -5.094 8.688 406 HG2 ARG 58 2HG ARG 58 8.466 -4.379 10.715 407 HG3 ARG 58 1HG ARG 58 6.786 -4.040 11.134 408 HD2 ARG 58 2HD ARG 58 6.182 -6.272 11.063 409 HD3 ARG 58 1HD ARG 58 7.515 -6.703 9.993 410 HE ARG 58 HE ARG 58 8.982 -6.678 11.858 411 HH11 ARG 58 1HH1 ARG 58 5.621 -6.243 12.783 412 HH12 ARG 58 2HH1 ARG 58 5.901 -6.674 14.437 413 HH21 ARG 58 1HH2 ARG 58 9.324 -7.238 14.027 414 HH22 ARG 58 2HH2 ARG 58 7.997 -7.236 15.140 415 H GLU 59 H GLU 59 9.078 -3.047 6.061 416 HA GLU 59 HA GLU 59 8.743 -3.074 3.817 417 HB2 GLU 59 2HB GLU 59 8.386 -6.019 4.377 418 HB3 GLU 59 1HB GLU 59 8.273 -5.363 2.750 419 HG2 GLU 59 2HG GLU 59 10.666 -4.534 4.225 420 HG3 GLU 59 1HG GLU 59 10.559 -6.270 3.909 421 H VAL 60 H VAL 60 6.701 -2.062 5.195 422 HA VAL 60 HA VAL 60 4.347 -2.819 3.601 423 HB VAL 60 HB VAL 60 3.970 -1.852 6.423 424 HG11 VAL 60 1HG1 VAL 60 2.297 -3.181 4.359 425 HG12 VAL 60 2HG1 VAL 60 1.917 -1.835 5.430 426 HG13 VAL 60 3HG1 VAL 60 1.931 -3.484 6.055 427 HG21 VAL 60 3HG2 VAL 60 5.120 -3.698 7.120 428 HG22 VAL 60 1HG2 VAL 60 4.802 -4.591 5.633 429 HG23 VAL 60 2HG2 VAL 60 3.542 -4.440 6.857 430 H CYS 61 H CYS 61 2.727 -1.039 3.467 431 HA CYS 61 HA CYS 61 3.562 1.656 4.144 432 HB2 CYS 61 2HB CYS 61 3.617 0.645 1.326 433 HB3 CYS 61 1HB CYS 61 3.059 2.288 1.628 434 HG CYS 61 HG CYS 61 5.939 1.557 3.160 435 H LEU 62 H LEU 62 1.879 3.080 4.233 436 HA LEU 62 HA LEU 62 -0.791 1.928 3.912 437 HB2 LEU 62 2HB LEU 62 0.255 3.497 5.913 438 HB3 LEU 62 1HB LEU 62 -0.571 4.676 4.925 439 HG LEU 62 HG LEU 62 -2.158 4.133 6.537 440 HD11 LEU 62 1HD1 LEU 62 -3.911 3.631 5.246 441 HD12 LEU 62 2HD1 LEU 62 -3.268 2.043 4.830 442 HD13 LEU 62 3HD1 LEU 62 -2.742 3.469 3.936 443 HD21 LEU 62 3HD2 LEU 62 -2.649 1.505 6.786 444 HD22 LEU 62 1HD2 LEU 62 -1.527 2.398 7.812 445 HD23 LEU 62 2HD2 LEU 62 -0.920 1.469 6.442 446 H VAL 63 H VAL 63 -2.208 2.626 2.414 447 HA VAL 63 HA VAL 63 -1.494 4.970 0.824 448 HB VAL 63 HB VAL 63 -0.889 3.791 -0.969 449 HG11 VAL 63 1HG1 VAL 63 -1.572 1.413 0.696 450 HG12 VAL 63 2HG1 VAL 63 0.011 2.021 0.214 451 HG13 VAL 63 3HG1 VAL 63 -1.033 1.242 -0.972 452 HG21 VAL 63 3HG2 VAL 63 -2.448 2.543 -2.294 453 HG22 VAL 63 1HG2 VAL 63 -3.237 3.976 -1.633 454 HG23 VAL 63 2HG2 VAL 63 -3.542 2.391 -0.920 455 H GLN 64 H GLN 64 -3.123 6.106 -0.044 456 HA GLN 64 HA GLN 64 -5.819 5.500 0.905 457 HB2 GLN 64 2HB GLN 64 -4.673 7.825 1.101 458 HB3 GLN 64 1HB GLN 64 -4.999 7.984 -0.617 459 HG2 GLN 64 2HG GLN 64 -7.102 8.602 -0.219 460 HG3 GLN 64 1HG GLN 64 -7.387 7.170 0.773 461 HE21 GLN 64 1HE2 GLN 64 -7.971 7.583 2.766 462 HE22 GLN 64 2HE2 GLN 64 -7.558 8.983 3.689 463 H PHE 65 H PHE 65 -7.517 5.085 -0.538 464 HA PHE 65 HA PHE 65 -6.627 4.448 -3.246 465 HB2 PHE 65 2HB PHE 65 -8.763 3.262 -1.492 466 HB3 PHE 65 1HB PHE 65 -8.574 2.848 -3.199 467 HD1 PHE 65 2HD PHE 65 -6.918 2.724 0.108 468 HD2 PHE 65 1HD PHE 65 -6.843 1.461 -3.934 469 HE1 PHE 65 2HE PHE 65 -5.133 1.114 0.653 470 HE2 PHE 65 1HE PHE 65 -5.056 -0.141 -3.410 471 HZ PHE 65 HZ PHE 65 -4.215 -0.326 -1.116 472 H GLU 66 H GLU 66 -8.490 4.299 -4.883 473 HA GLU 66 HA GLU 66 -9.259 6.903 -5.555 474 HB2 GLU 66 2HB GLU 66 -10.112 4.217 -6.577 475 HB3 GLU 66 1HB GLU 66 -10.723 5.711 -7.268 476 HG2 GLU 66 2HG GLU 66 -7.789 5.067 -7.071 477 HG3 GLU 66 1HG GLU 66 -8.780 4.650 -8.468 478 H ASP 67 H ASP 67 -11.185 4.271 -4.095 479 HA ASP 67 HA ASP 67 -13.515 6.024 -4.020 480 HB2 ASP 67 2HB ASP 67 -13.656 3.601 -4.685 481 HB3 ASP 67 1HB ASP 67 -13.289 3.179 -3.022 482 H ASP 68 H ASP 68 -11.219 6.791 -2.467 483 HA ASP 68 HA ASP 68 -10.589 7.596 -0.453 484 HB2 ASP 68 2HB ASP 68 -13.570 7.810 -0.357 485 HB3 ASP 68 1HB ASP 68 -12.640 8.220 1.081 486 H SER 69 H SER 69 -9.918 5.143 -0.323 487 HA SER 69 HA SER 69 -10.873 4.149 2.281 488 HB2 SER 69 2HB SER 69 -11.253 2.797 -0.024 489 HB3 SER 69 1HB SER 69 -9.654 2.173 0.416 490 HG SER 69 HG SER 69 -11.106 0.867 1.417 491 H GLN 70 H GLN 70 -9.391 3.971 3.821 492 HA GLN 70 HA GLN 70 -6.561 4.202 3.092 493 HB2 GLN 70 2HB GLN 70 -8.166 4.975 5.436 494 HB3 GLN 70 1HB GLN 70 -6.644 4.202 5.851 495 HG2 GLN 70 2HG GLN 70 -6.789 6.504 3.928 496 HG3 GLN 70 1HG GLN 70 -6.665 6.733 5.672 497 HE21 GLN 70 1HE2 GLN 70 -5.029 5.816 2.784 498 HE22 GLN 70 2HE2 GLN 70 -3.441 5.689 3.467 499 H PHE 71 H PHE 71 -6.054 2.218 2.405 500 HA PHE 71 HA PHE 71 -6.457 -0.037 4.257 501 HB2 PHE 71 2HB PHE 71 -6.961 0.310 1.385 502 HB3 PHE 71 1HB PHE 71 -6.091 -1.167 1.761 503 HD1 PHE 71 1HD PHE 71 -8.459 -0.032 4.316 504 HD2 PHE 71 2HD PHE 71 -8.048 -2.267 0.716 505 HE1 PHE 71 1HE PHE 71 -10.599 -1.144 4.766 506 HE2 PHE 71 2HE PHE 71 -10.187 -3.388 1.168 507 HZ PHE 71 HZ PHE 71 -11.468 -2.824 3.192 508 H LEU 72 H LEU 72 -4.711 -0.979 5.019 509 HA LEU 72 HA LEU 72 -2.090 -0.120 4.230 510 HB2 LEU 72 2HB LEU 72 -1.503 -2.201 5.834 511 HB3 LEU 72 1HB LEU 72 -1.861 -0.599 6.431 512 HG LEU 72 HG LEU 72 -2.912 -2.410 7.741 513 HD11 LEU 72 1HD1 LEU 72 -4.300 -0.142 6.568 514 HD12 LEU 72 2HD1 LEU 72 -4.163 -0.654 8.251 515 HD13 LEU 72 3HD1 LEU 72 -5.379 -1.385 7.202 516 HD21 LEU 72 3HD2 LEU 72 -4.657 -2.893 5.330 517 HD22 LEU 72 1HD2 LEU 72 -4.756 -3.698 6.898 518 HD23 LEU 72 2HD2 LEU 72 -3.356 -3.960 5.858 519 H VAL 73 H VAL 73 -0.686 -1.057 2.960 520 HA VAL 73 HA VAL 73 -1.241 -3.785 1.981 521 HB VAL 73 HB VAL 73 0.003 -1.937 0.014 522 HG11 VAL 73 1HG1 VAL 73 -0.598 -4.482 -0.157 523 HG12 VAL 73 2HG1 VAL 73 -0.780 -3.418 -1.549 524 HG13 VAL 73 3HG1 VAL 73 -2.190 -3.861 -0.587 525 HG21 VAL 73 3HG2 VAL 73 -2.115 -0.821 1.112 526 HG22 VAL 73 1HG2 VAL 73 -2.982 -1.951 0.074 527 HG23 VAL 73 2HG2 VAL 73 -1.876 -0.775 -0.632 528 H LEU 74 H LEU 74 0.466 -5.017 1.295 529 HA LEU 74 HA LEU 74 3.018 -4.406 2.548 530 HB2 LEU 74 2HB LEU 74 2.075 -6.891 1.098 531 HB3 LEU 74 1HB LEU 74 3.597 -6.736 1.940 532 HG LEU 74 HG LEU 74 2.257 -8.005 3.372 533 HD11 LEU 74 1HD1 LEU 74 3.300 -5.824 4.348 534 HD12 LEU 74 2HD1 LEU 74 2.248 -6.841 5.332 535 HD13 LEU 74 3HD1 LEU 74 1.611 -5.374 4.592 536 HD21 LEU 74 3HD2 LEU 74 0.008 -6.087 2.801 537 HD22 LEU 74 1HD2 LEU 74 -0.051 -7.350 4.030 538 HD23 LEU 74 2HD2 LEU 74 0.123 -7.784 2.330 539 H TRP 75 H TRP 75 4.995 -4.341 1.448 540 HA TRP 75 HA TRP 75 5.045 -3.112 -1.073 541 HB2 TRP 75 2HB TRP 75 7.234 -4.525 0.451 542 HB3 TRP 75 1HB TRP 75 7.518 -3.640 -1.034 543 HD1 TRP 75 HD TRP 75 5.089 -2.072 1.462 544 HE1 TRP 75 1HE TRP 75 6.199 -0.014 2.525 545 HE3 TRP 75 3HE TRP 75 9.869 -2.680 -0.307 546 HZ2 TRP 75 2HZ TRP 75 8.737 1.188 2.625 547 HZ3 TRP 75 3HZ TRP 75 11.572 -1.025 0.335 548 HH2 TRP 75 HH TRP 75 11.014 0.870 1.772 549 H LYS 76 H LYS 76 4.636 -6.390 -0.314 550 HA LYS 76 HA LYS 76 5.749 -7.521 -2.733 551 HB2 LYS 76 2HB LYS 76 3.922 -8.749 -0.651 552 HB3 LYS 76 1HB LYS 76 4.737 -9.628 -1.935 553 HG2 LYS 76 2HG LYS 76 6.857 -9.273 -0.965 554 HG3 LYS 76 1HG LYS 76 6.228 -8.061 0.151 555 HD2 LYS 76 2HD LYS 76 4.869 -10.628 0.387 556 HD3 LYS 76 1HD LYS 76 6.599 -10.743 0.710 557 HE2 LYS 76 2HE LYS 76 4.891 -8.623 1.986 558 HE3 LYS 76 1HE LYS 76 5.040 -10.235 2.681 559 HZ1 LYS 76 3HZ LYS 76 7.611 -9.538 2.225 560 HZ2 LYS 76 1HZ LYS 76 6.814 -9.398 3.711 561 HZ3 LYS 76 2HZ LYS 76 6.923 -8.062 2.681 562 H ASP 77 H ASP 77 2.559 -6.664 -1.499 563 HA ASP 77 HA ASP 77 1.197 -7.558 -3.912 564 HB2 ASP 77 2HB ASP 77 0.418 -6.806 -1.179 565 HB3 ASP 77 1HB ASP 77 -0.712 -6.293 -2.425 566 H ILE 78 H ILE 78 2.992 -4.944 -3.320 567 HA ILE 78 HA ILE 78 1.160 -3.025 -4.572 568 HB ILE 78 HB ILE 78 3.695 -2.566 -2.994 569 HG12 ILE 78 2HG1 ILE 78 0.924 -1.518 -2.421 570 HG13 ILE 78 1HG1 ILE 78 1.422 -3.124 -1.903 571 HG21 ILE 78 1HG2 ILE 78 3.955 -0.668 -4.179 572 HG22 ILE 78 2HG2 ILE 78 2.513 -0.092 -3.347 573 HG23 ILE 78 3HG2 ILE 78 2.374 -0.837 -4.941 574 HD11 ILE 78 3HD1 ILE 78 3.410 -1.301 -1.081 575 HD12 ILE 78 1HD1 ILE 78 2.310 -2.267 -0.096 576 HD13 ILE 78 2HD1 ILE 78 1.835 -0.651 -0.624 577 H SER 79 H SER 79 1.557 -2.084 -6.466 578 HA SER 79 HA SER 79 4.057 -2.662 -7.898 579 HB2 SER 79 2HB SER 79 1.585 -3.800 -8.539 580 HB3 SER 79 1HB SER 79 1.750 -2.463 -9.681 581 HG SER 79 HG SER 79 3.822 -3.332 -10.222 582 HA PRO 80 HA PRO 80 3.757 1.923 -7.853 583 HB2 PRO 80 2HB PRO 80 6.149 1.541 -9.602 584 HB3 PRO 80 1HB PRO 80 5.916 2.644 -8.242 585 HG2 PRO 80 2HG PRO 80 7.371 0.462 -7.922 586 HG3 PRO 80 1HG PRO 80 6.227 0.962 -6.658 587 HD2 PRO 80 2HD PRO 80 5.962 -1.213 -8.704 588 HD3 PRO 80 1HD PRO 80 5.481 -1.206 -6.994 589 H ALA 81 H ALA 81 2.361 2.931 -9.092 590 HA ALA 81 HA ALA 81 1.608 2.091 -11.695 591 HB1 ALA 81 3HB ALA 81 -0.107 3.613 -11.524 592 HB2 ALA 81 1HB ALA 81 0.879 4.790 -10.654 593 HB3 ALA 81 2HB ALA 81 0.278 3.357 -9.821 594 H ALA 82 H ALA 82 3.285 5.018 -10.527 595 HA ALA 82 HA ALA 82 4.537 6.623 -11.514 596 HB1 ALA 82 3HB ALA 82 6.213 4.981 -11.689 597 HB2 ALA 82 1HB ALA 82 6.181 5.785 -13.258 598 HB3 ALA 82 2HB ALA 82 5.426 4.204 -13.063 599 H LEU 83 H LEU 83 1.835 6.327 -12.572 600 HA LEU 83 HA LEU 83 2.235 7.660 -15.161 601 HB2 LEU 83 2HB LEU 83 0.037 6.626 -15.893 602 HB3 LEU 83 1HB LEU 83 1.426 5.562 -15.841 603 HG LEU 83 HG LEU 83 0.333 5.149 -13.363 604 HD11 LEU 83 1HD1 LEU 83 -2.008 5.280 -15.241 605 HD12 LEU 83 2HD1 LEU 83 -1.602 6.597 -14.140 606 HD13 LEU 83 3HD1 LEU 83 -2.008 5.006 -13.498 607 HD21 LEU 83 3HD2 LEU 83 -0.177 3.707 -15.960 608 HD22 LEU 83 1HD2 LEU 83 -0.567 3.056 -14.369 609 HD23 LEU 83 2HD2 LEU 83 1.110 3.394 -14.795 610 HA ALA 331 HA ALA 331 -22.242 -2.300 -16.262 611 HB1 ALA 331 3HB ALA 331 -20.528 -2.675 -14.459 612 HB2 ALA 331 1HB ALA 331 -19.363 -3.003 -15.741 613 HB3 ALA 331 2HB ALA 331 -20.783 -4.032 -15.555 614 H THR 332 H THR 332 -22.412 -0.607 -14.796 615 HA THR 332 HA THR 332 -20.837 1.788 -15.476 616 HB THR 332 HB THR 332 -23.233 2.261 -13.863 617 HG1 THR 332 1HG THR 332 -23.522 1.165 -16.483 618 HG21 THR 332 1HG2 THR 332 -21.920 4.015 -14.987 619 HG22 THR 332 2HG2 THR 332 -23.601 4.008 -15.519 620 HG23 THR 332 3HG2 THR 332 -22.347 3.320 -16.550 621 H GLY 333 H GLY 333 -19.712 2.859 -13.952 622 HA2 GLY 333 2HA GLY 333 -20.110 3.010 -11.237 623 HA3 GLY 333 1HA GLY 333 -19.160 1.550 -11.465 624 H GLY 334 H GLY 334 -18.878 4.635 -10.610 625 HA2 GLY 334 2HA GLY 334 -16.362 5.150 -12.045 626 HA3 GLY 334 1HA GLY 334 -17.292 6.342 -11.150 627 H VAL 335 H VAL 335 -15.967 3.135 -10.343 628 HA VAL 335 HA VAL 335 -14.480 4.380 -8.130 629 HB VAL 335 HB VAL 335 -14.849 2.151 -6.888 630 HG11 VAL 335 1HG1 VAL 335 -17.085 4.134 -7.250 631 HG12 VAL 335 2HG1 VAL 335 -15.746 4.237 -6.106 632 HG13 VAL 335 3HG1 VAL 335 -16.968 2.977 -5.924 633 HG21 VAL 335 3HG2 VAL 335 -17.143 1.168 -7.372 634 HG22 VAL 335 1HG2 VAL 335 -15.863 0.756 -8.513 635 HG23 VAL 335 2HG2 VAL 335 -17.059 1.983 -8.933 636 H M3L 336 H M3L 336 -12.420 3.762 -7.834 637 HA M3L 336 HA M3L 336 -10.346 2.966 -8.313 638 HB2 M3L 336 1HB M3L 336 -10.019 0.603 -8.415 639 HB3 M3L 336 2HB M3L 336 -11.646 0.339 -9.023 640 HG2 M3L 336 1HG M3L 336 -11.954 -0.258 -6.845 641 HG3 M3L 336 2HG M3L 336 -12.307 1.465 -6.734 642 HD2 M3L 336 1HD M3L 336 -9.672 1.560 -6.322 643 HD3 M3L 336 2HD M3L 336 -9.997 -0.059 -5.699 644 HE2 M3L 336 1HE M3L 336 -11.968 1.870 -4.762 645 HE3 M3L 336 2HE M3L 336 -10.344 2.369 -4.343 646 HM11 M3L 336 1HM1 M3L 336 -9.202 0.836 -2.210 647 HM12 M3L 336 2HM1 M3L 336 -8.891 0.235 -3.795 648 HM13 M3L 336 3HM1 M3L 336 -9.550 -0.814 -2.593 649 HM21 M3L 336 1HM2 M3L 336 -12.603 -0.424 -4.393 650 HM22 M3L 336 2HM2 M3L 336 -12.254 -1.061 -2.827 651 HM23 M3L 336 3HM2 M3L 336 -11.212 -1.426 -4.155 652 HM31 M3L 336 3HM3 M3L 336 -11.332 2.322 -2.219 653 HM32 M3L 336 1HM3 M3L 336 -11.241 0.862 -1.295 654 HM33 M3L 336 2HM3 M3L 336 -12.650 1.205 -2.229 655 H LYS 337 H LYS 337 -8.944 3.219 -9.918 656 HA LYS 337 HA LYS 337 -9.756 2.503 -12.653 657 HB2 LYS 337 2HB LYS 337 -8.552 5.152 -11.806 658 HB3 LYS 337 1HB LYS 337 -8.746 4.638 -13.474 659 HG2 LYS 337 2HG LYS 337 -10.696 5.734 -13.387 660 HG3 LYS 337 1HG LYS 337 -11.280 4.320 -12.510 661 HD2 LYS 337 2HD LYS 337 -11.852 5.798 -10.910 662 HD3 LYS 337 1HD LYS 337 -10.135 5.814 -10.496 663 HE2 LYS 337 2HE LYS 337 -9.837 7.702 -12.092 664 HE3 LYS 337 1HE LYS 337 -11.582 7.717 -12.343 665 HZ1 LYS 337 3HZ LYS 337 -10.491 9.283 -10.600 666 HZ2 LYS 337 1HZ LYS 337 -10.530 7.912 -9.609 667 HZ3 LYS 337 2HZ LYS 337 -11.966 8.533 -10.253 668 HA PRO 338 HA PRO 338 -5.212 1.388 -11.611 669 HB2 PRO 338 2HB PRO 338 -6.008 -1.410 -11.293 670 HB3 PRO 338 1HB PRO 338 -5.109 -0.375 -10.181 671 HG2 PRO 338 2HG PRO 338 -7.595 -1.178 -9.625 672 HG3 PRO 338 1HG PRO 338 -7.011 0.446 -9.199 673 HD2 PRO 338 2HD PRO 338 -8.636 -0.387 -11.600 674 HD3 PRO 338 1HD PRO 338 -8.967 0.921 -10.439 675 H HIS 339 H HIS 339 -4.180 -0.946 -12.420 676 HA HIS 339 HA HIS 339 -4.169 -0.737 -15.275 677 HB2 HIS 339 2HB HIS 339 -2.027 -1.198 -14.706 678 HB3 HIS 339 1HB HIS 339 -2.518 -1.776 -13.122 679 HD1 HIS 339 1HD HIS 339 -2.609 -3.237 -16.646 680 HD2 HIS 339 2HD HIS 339 -1.712 -4.246 -12.719 681 HE1 HIS 339 1HE HIS 339 -1.839 -5.623 -16.727 682 HE2 HIS 339 2HE HIS 339 -1.213 -6.193 -14.356 683 H ARG 340 H ARG 340 -4.890 -2.148 -16.774 684 HA ARG 340 HA ARG 340 -6.046 -3.778 -17.815 685 HB2 ARG 340 2HB ARG 340 -4.809 -5.170 -15.611 686 HB3 ARG 340 1HB ARG 340 -6.375 -5.879 -15.980 687 HG2 ARG 340 2HG ARG 340 -5.702 -6.138 -18.319 688 HG3 ARG 340 1HG ARG 340 -4.125 -5.445 -17.935 689 HD2 ARG 340 2HD ARG 340 -3.381 -7.355 -16.993 690 HD3 ARG 340 1HD ARG 340 -4.929 -7.687 -16.218 691 HE ARG 340 HE ARG 340 -5.660 -8.449 -18.506 692 HH11 ARG 340 1HH1 ARG 340 -2.289 -8.643 -17.533 693 HH12 ARG 340 2HH1 ARG 340 -1.939 -9.958 -18.604 694 HH21 ARG 340 1HH2 ARG 340 -5.176 -10.170 -19.898 695 HH22 ARG 340 2HH2 ARG 340 -3.572 -10.821 -19.940 696 H TYR 341 H TYR 341 -7.179 -3.970 -14.412 697 HA TYR 341 HA TYR 341 -9.926 -3.697 -15.424 698 HB2 TYR 341 2HB TYR 341 -8.850 -5.760 -13.926 699 HB3 TYR 341 1HB TYR 341 -9.656 -4.766 -12.718 700 HD1 TYR 341 1HD TYR 341 -12.096 -4.229 -13.043 701 HD2 TYR 341 2HD TYR 341 -10.085 -7.186 -15.337 702 HE1 TYR 341 1HE TYR 341 -14.268 -5.226 -13.644 703 HE2 TYR 341 2HE TYR 341 -12.244 -8.192 -15.952 704 HH TYR 341 HH TYR 341 -14.906 -7.888 -14.457 Start of MODEL 16 1 HA SER 5 HA SER 5 -17.613 36.884 -0.152 2 HB2 SER 5 2HB SER 5 -19.992 38.484 -0.346 3 HB3 SER 5 1HB SER 5 -20.160 37.355 0.998 4 HG SER 5 HG SER 5 -19.103 39.035 1.871 5 H ARG 6 H ARG 6 -17.477 35.052 0.957 6 HA ARG 6 HA ARG 6 -19.626 33.058 0.651 7 HB2 ARG 6 2HB ARG 6 -16.654 32.813 0.584 8 HB3 ARG 6 1HB ARG 6 -17.578 31.480 1.260 9 HG2 ARG 6 2HG ARG 6 -18.863 31.338 -0.835 10 HG3 ARG 6 1HG ARG 6 -17.867 32.630 -1.508 11 HD2 ARG 6 2HD ARG 6 -16.831 30.722 -2.320 12 HD3 ARG 6 1HD ARG 6 -15.880 31.092 -0.882 13 HE ARG 6 HE ARG 6 -17.052 29.321 0.266 14 HH11 ARG 6 1HH1 ARG 6 -17.474 29.341 -3.224 15 HH12 ARG 6 2HH1 ARG 6 -17.934 27.673 -3.290 16 HH21 ARG 6 1HH2 ARG 6 -17.658 27.143 0.150 17 HH22 ARG 6 2HH2 ARG 6 -18.039 26.432 -1.383 18 H LEU 7 H LEU 7 -20.719 32.686 2.442 19 HA LEU 7 HA LEU 7 -19.319 32.597 5.012 20 HB2 LEU 7 2HB LEU 7 -21.288 33.781 6.080 21 HB3 LEU 7 1HB LEU 7 -20.196 34.778 5.142 22 HG LEU 7 HG LEU 7 -22.264 33.962 3.384 23 HD11 LEU 7 1HD1 LEU 7 -24.246 34.825 4.509 24 HD12 LEU 7 2HD1 LEU 7 -23.318 35.044 5.993 25 HD13 LEU 7 3HD1 LEU 7 -23.597 33.422 5.359 26 HD21 LEU 7 3HD2 LEU 7 -22.698 36.346 3.257 27 HD22 LEU 7 1HD2 LEU 7 -20.960 36.042 3.292 28 HD23 LEU 7 2HD2 LEU 7 -21.786 36.611 4.744 29 H SER 8 H SER 8 -19.672 30.716 5.920 30 HA SER 8 HA SER 8 -22.327 29.473 5.733 31 HB2 SER 8 2HB SER 8 -21.173 27.232 5.497 32 HB3 SER 8 1HB SER 8 -21.063 28.280 4.083 33 HG SER 8 HG SER 8 -19.075 27.147 5.141 34 H ARG 9 H ARG 9 -19.158 29.459 7.340 35 HA ARG 9 HA ARG 9 -20.515 28.901 9.882 36 HB2 ARG 9 2HB ARG 9 -18.492 27.518 10.558 37 HB3 ARG 9 1HB ARG 9 -19.580 26.784 9.393 38 HG2 ARG 9 2HG ARG 9 -17.821 27.895 7.697 39 HG3 ARG 9 1HG ARG 9 -16.763 27.636 9.086 40 HD2 ARG 9 2HD ARG 9 -16.535 25.636 7.964 41 HD3 ARG 9 1HD ARG 9 -17.837 25.254 9.089 42 HE ARG 9 HE ARG 9 -18.168 25.828 6.221 43 HH11 ARG 9 1HH1 ARG 9 -19.430 24.462 9.202 44 HH12 ARG 9 2HH1 ARG 9 -20.788 23.723 8.422 45 HH21 ARG 9 1HH2 ARG 9 -19.954 24.852 5.224 46 HH22 ARG 9 2HH2 ARG 9 -21.082 23.944 6.172 47 H SER 10 H SER 10 -17.495 30.011 8.367 48 HA SER 10 HA SER 10 -17.290 32.099 10.422 49 HB2 SER 10 2HB SER 10 -15.089 30.237 9.519 50 HB3 SER 10 1HB SER 10 -14.763 31.769 10.329 51 HG SER 10 HG SER 10 -15.496 30.973 12.164 52 H GLY 11 H GLY 11 -16.215 30.953 7.234 53 HA2 GLY 11 2HA GLY 11 -16.662 32.559 5.380 54 HA3 GLY 11 1HA GLY 11 -15.911 33.774 6.402 55 H ALA 12 H ALA 12 -13.851 34.204 6.031 56 HA ALA 12 HA ALA 12 -12.185 32.160 4.708 57 HB1 ALA 12 3HB ALA 12 -12.805 34.006 3.186 58 HB2 ALA 12 1HB ALA 12 -11.067 33.902 3.466 59 HB3 ALA 12 2HB ALA 12 -12.020 35.141 4.284 60 H SER 13 H SER 13 -10.329 31.656 5.679 61 HA SER 13 HA SER 13 -9.220 33.485 7.697 62 HB2 SER 13 2HB SER 13 -9.684 30.512 7.994 63 HB3 SER 13 1HB SER 13 -8.630 31.438 9.063 64 HG SER 13 HG SER 13 -11.020 31.101 9.583 65 H SER 14 H SER 14 -8.604 30.668 5.616 66 HA SER 14 HA SER 14 -5.738 31.336 5.606 67 HB2 SER 14 2HB SER 14 -7.118 28.766 4.792 68 HB3 SER 14 1HB SER 14 -5.376 29.044 4.781 69 HG SER 14 HG SER 14 -6.750 28.116 6.758 70 H LEU 15 H LEU 15 -4.675 31.795 3.746 71 HA LEU 15 HA LEU 15 -6.240 31.830 1.252 72 HB2 LEU 15 2HB LEU 15 -5.068 34.029 2.669 73 HB3 LEU 15 1HB LEU 15 -4.248 33.847 1.131 74 HG LEU 15 HG LEU 15 -6.799 33.728 0.275 75 HD11 LEU 15 1HD1 LEU 15 -6.945 35.723 2.515 76 HD12 LEU 15 2HD1 LEU 15 -7.544 34.073 2.680 77 HD13 LEU 15 3HD1 LEU 15 -8.242 35.146 1.469 78 HD21 LEU 15 3HD2 LEU 15 -6.571 36.180 -0.176 79 HD22 LEU 15 1HD2 LEU 15 -5.187 35.203 -0.668 80 HD23 LEU 15 2HD2 LEU 15 -5.109 36.161 0.811 81 H TRP 16 H TRP 16 -2.962 31.830 2.633 82 HA TRP 16 HA TRP 16 -2.079 30.144 0.391 83 HB2 TRP 16 2HB TRP 16 -1.296 32.758 0.642 84 HB3 TRP 16 1HB TRP 16 -0.012 31.920 1.508 85 HD1 TRP 16 HD TRP 16 1.556 30.270 0.087 86 HE1 TRP 16 1HE TRP 16 2.059 30.135 -2.432 87 HE3 TRP 16 3HE TRP 16 -2.344 33.080 -1.686 88 HZ2 TRP 16 2HZ TRP 16 0.958 31.086 -4.846 89 HZ3 TRP 16 3HZ TRP 16 -2.539 33.416 -4.116 90 HH2 TRP 16 HH TRP 16 -0.921 32.439 -5.660 91 H ASP 17 H ASP 17 -1.118 28.327 1.011 92 HA ASP 17 HA ASP 17 0.187 28.184 3.630 93 HB2 ASP 17 2HB ASP 17 -2.091 26.487 2.665 94 HB3 ASP 17 1HB ASP 17 -0.897 25.797 3.762 95 HA PRO 18 HA PRO 18 3.205 25.809 1.329 96 HB2 PRO 18 2HB PRO 18 4.040 24.257 3.630 97 HB3 PRO 18 1HB PRO 18 4.851 25.634 2.882 98 HG2 PRO 18 2HG PRO 18 3.733 25.723 5.370 99 HG3 PRO 18 1HG PRO 18 3.891 27.143 4.318 100 HD2 PRO 18 2HD PRO 18 1.497 25.397 4.797 101 HD3 PRO 18 1HD PRO 18 1.601 27.167 4.705 102 H ALA 19 H ALA 19 0.739 24.716 0.908 103 HA ALA 19 HA ALA 19 0.850 21.854 1.458 104 HB1 ALA 19 3HB ALA 19 -1.276 22.946 1.782 105 HB2 ALA 19 1HB ALA 19 -1.399 21.810 0.440 106 HB3 ALA 19 2HB ALA 19 -1.262 23.539 0.122 107 H SER 20 H SER 20 2.134 23.837 -0.851 108 HA SER 20 HA SER 20 1.682 22.087 -3.137 109 HB2 SER 20 2HB SER 20 2.337 24.849 -2.788 110 HB3 SER 20 1HB SER 20 3.611 24.088 -3.739 111 HG SER 20 HG SER 20 2.165 24.542 -5.255 112 HA PRO 21 HA PRO 21 5.467 19.827 -2.298 113 HB2 PRO 21 2HB PRO 21 5.638 18.406 -4.598 114 HB3 PRO 21 1HB PRO 21 4.472 18.027 -3.326 115 HG2 PRO 21 2HG PRO 21 4.063 19.497 -5.898 116 HG3 PRO 21 1HG PRO 21 3.013 18.307 -5.108 117 HD2 PRO 21 2HD PRO 21 2.601 21.008 -4.985 118 HD3 PRO 21 1HD PRO 21 2.073 19.877 -3.725 119 H ALA 22 H ALA 22 7.648 19.772 -2.882 120 HA ALA 22 HA ALA 22 8.480 21.927 -4.679 121 HB1 ALA 22 3HB ALA 22 9.307 21.248 -2.122 122 HB2 ALA 22 1HB ALA 22 10.093 22.393 -3.210 123 HB3 ALA 22 2HB ALA 22 10.629 20.714 -3.159 124 HA PRO 23 HA PRO 23 11.137 18.270 -6.372 125 HB2 PRO 23 2HB PRO 23 10.623 15.724 -5.626 126 HB3 PRO 23 1HB PRO 23 11.729 16.771 -4.731 127 HG2 PRO 23 2HG PRO 23 8.891 16.047 -4.124 128 HG3 PRO 23 1HG PRO 23 10.268 16.209 -3.019 129 HD2 PRO 23 2HD PRO 23 8.356 18.140 -3.360 130 HD3 PRO 23 1HD PRO 23 10.018 18.479 -2.847 131 H THR 24 H THR 24 10.684 17.689 -8.404 132 HA THR 24 HA THR 24 7.974 16.703 -9.020 133 HB THR 24 HB THR 24 9.376 18.010 -11.249 134 HG1 THR 24 1HG THR 24 8.718 19.451 -8.893 135 HG21 THR 24 1HG2 THR 24 7.217 18.876 -11.731 136 HG22 THR 24 2HG2 THR 24 6.656 18.581 -10.086 137 HG23 THR 24 3HG2 THR 24 6.974 17.223 -11.165 138 H SER 25 H SER 25 8.102 14.620 -9.460 139 HA SER 25 HA SER 25 8.647 12.611 -10.346 140 HB2 SER 25 2HB SER 25 8.692 14.274 -12.473 141 HB3 SER 25 1HB SER 25 10.353 13.681 -12.521 142 HG SER 25 HG SER 25 8.072 12.002 -12.355 143 H GLY 26 H GLY 26 10.012 11.125 -9.663 144 HA2 GLY 26 2HA GLY 26 12.764 11.937 -9.001 145 HA3 GLY 26 1HA GLY 26 11.892 10.599 -8.268 146 HA PRO 27 HA PRO 27 14.597 9.174 -11.957 147 HB2 PRO 27 2HB PRO 27 16.693 8.045 -10.650 148 HB3 PRO 27 1HB PRO 27 16.676 9.738 -11.156 149 HG2 PRO 27 2HG PRO 27 16.146 8.558 -8.459 150 HG3 PRO 27 1HG PRO 27 17.054 10.021 -8.883 151 HD2 PRO 27 2HD PRO 27 14.488 10.066 -7.956 152 HD3 PRO 27 1HD PRO 27 15.154 11.304 -9.036 153 H ARG 28 H ARG 28 14.459 7.478 -8.800 154 HA ARG 28 HA ARG 28 13.080 5.243 -10.068 155 HB2 ARG 28 2HB ARG 28 15.806 5.070 -9.622 156 HB3 ARG 28 1HB ARG 28 15.131 4.315 -8.185 157 HG2 ARG 28 2HG ARG 28 15.292 2.489 -9.534 158 HG3 ARG 28 1HG ARG 28 13.667 3.023 -9.961 159 HD2 ARG 28 2HD ARG 28 14.390 2.963 -12.086 160 HD3 ARG 28 1HD ARG 28 15.255 4.450 -11.702 161 HE ARG 28 HE ARG 28 16.534 1.825 -11.334 162 HH11 ARG 28 1HH1 ARG 28 16.531 5.001 -12.838 163 HH12 ARG 28 2HH1 ARG 28 18.127 4.820 -13.485 164 HH21 ARG 28 1HH2 ARG 28 18.618 1.613 -12.193 165 HH22 ARG 28 2HH2 ARG 28 19.306 2.904 -13.119 166 HA PRO 29 HA PRO 29 11.193 6.126 -5.988 167 HB2 PRO 29 2HB PRO 29 8.615 5.850 -6.718 168 HB3 PRO 29 1HB PRO 29 9.535 7.320 -7.046 169 HG2 PRO 29 2HG PRO 29 8.751 5.120 -8.893 170 HG3 PRO 29 1HG PRO 29 8.924 6.853 -9.217 171 HD2 PRO 29 2HD PRO 29 10.801 4.867 -9.834 172 HD3 PRO 29 1HD PRO 29 11.108 6.612 -9.799 173 H ARG 30 H ARG 30 10.487 4.782 -4.395 174 HA ARG 30 HA ARG 30 9.860 1.996 -5.123 175 HB2 ARG 30 2HB ARG 30 11.765 3.094 -3.109 176 HB3 ARG 30 1HB ARG 30 10.878 1.640 -2.675 177 HG2 ARG 30 2HG ARG 30 12.118 1.579 -5.338 178 HG3 ARG 30 1HG ARG 30 13.246 1.655 -3.984 179 HD2 ARG 30 2HD ARG 30 12.162 -0.292 -2.974 180 HD3 ARG 30 1HD ARG 30 11.031 -0.366 -4.325 181 HE ARG 30 HE ARG 30 12.859 -0.982 -5.750 182 HH11 ARG 30 1HH1 ARG 30 13.649 -1.031 -2.326 183 HH12 ARG 30 2HH1 ARG 30 15.016 -2.073 -2.541 184 HH21 ARG 30 1HH2 ARG 30 14.651 -2.343 -6.004 185 HH22 ARG 30 2HH2 ARG 30 15.581 -2.815 -4.620 186 H LEU 31 H LEU 31 9.706 4.156 -2.274 187 HA LEU 31 HA LEU 31 6.839 3.960 -2.086 188 HB2 LEU 31 2HB LEU 31 8.593 2.310 -0.368 189 HB3 LEU 31 1HB LEU 31 7.398 3.244 0.499 190 HG LEU 31 HG LEU 31 6.181 1.348 0.249 191 HD11 LEU 31 1HD1 LEU 31 5.064 3.102 -1.198 192 HD12 LEU 31 2HD1 LEU 31 4.578 1.426 -1.442 193 HD13 LEU 31 3HD1 LEU 31 5.678 2.197 -2.583 194 HD21 LEU 31 3HD2 LEU 31 6.439 -0.246 -1.650 195 HD22 LEU 31 1HD2 LEU 31 7.873 -0.030 -0.647 196 HD23 LEU 31 2HD2 LEU 31 7.773 0.755 -2.224 197 H TRP 32 H TRP 32 6.369 6.014 -1.816 198 HA TRP 32 HA TRP 32 7.469 7.503 0.423 199 HB2 TRP 32 2HB TRP 32 8.123 9.462 -0.933 200 HB3 TRP 32 1HB TRP 32 9.081 8.051 -1.349 201 HD1 TRP 32 HD TRP 32 8.090 6.722 -3.689 202 HE1 TRP 32 1HE TRP 32 7.326 7.826 -5.880 203 HE3 TRP 32 3HE TRP 32 7.189 11.463 -1.966 204 HZ2 TRP 32 2HZ TRP 32 6.469 10.357 -6.774 205 HZ3 TRP 32 3HZ TRP 32 6.402 13.162 -3.561 206 HH2 TRP 32 HH TRP 32 6.051 12.619 -5.915 207 H GLU 33 H GLU 33 6.279 9.576 0.788 208 HA GLU 33 HA GLU 33 3.485 9.188 0.611 209 HB2 GLU 33 2HB GLU 33 5.223 11.479 1.465 210 HB3 GLU 33 1HB GLU 33 3.484 11.698 1.331 211 HG2 GLU 33 2HG GLU 33 3.220 9.735 2.874 212 HG3 GLU 33 1HG GLU 33 4.965 9.794 3.125 213 H GLY 34 H GLY 34 2.245 9.373 -1.112 214 HA2 GLY 34 2HA GLY 34 1.164 10.633 -2.801 215 HA3 GLY 34 1HA GLY 34 2.601 11.634 -2.948 216 H GLN 35 H GLN 35 2.840 8.166 -2.796 217 HA GLN 35 HA GLN 35 3.824 8.121 -5.557 218 HB2 GLN 35 2HB GLN 35 5.499 7.194 -4.242 219 HB3 GLN 35 1HB GLN 35 4.365 6.531 -3.077 220 HG2 GLN 35 2HG GLN 35 4.747 4.526 -3.982 221 HG3 GLN 35 1HG GLN 35 3.897 5.091 -5.425 222 HE21 GLN 35 1HE2 GLN 35 6.267 3.299 -4.846 223 HE22 GLN 35 2HE2 GLN 35 7.489 3.848 -5.931 224 H ASP 36 H ASP 36 2.448 7.445 -7.083 225 HA ASP 36 HA ASP 36 -0.018 6.151 -6.444 226 HB2 ASP 36 2HB ASP 36 1.325 6.636 -9.105 227 HB3 ASP 36 1HB ASP 36 -0.254 5.890 -8.944 228 H VAL 37 H VAL 37 -0.137 4.189 -5.796 229 HA VAL 37 HA VAL 37 1.746 2.163 -6.777 230 HB VAL 37 HB VAL 37 1.230 0.949 -4.651 231 HG11 VAL 37 1HG1 VAL 37 3.281 2.226 -4.929 232 HG12 VAL 37 2HG1 VAL 37 2.714 2.287 -3.261 233 HG13 VAL 37 3HG1 VAL 37 2.469 3.670 -4.327 234 HG21 VAL 37 3HG2 VAL 37 0.144 3.517 -3.519 235 HG22 VAL 37 1HG2 VAL 37 0.059 1.885 -2.855 236 HG23 VAL 37 2HG2 VAL 37 -0.930 2.323 -4.243 237 H LEU 38 H LEU 38 0.953 -0.070 -6.595 238 HA LEU 38 HA LEU 38 -1.895 -0.309 -7.260 239 HB2 LEU 38 2HB LEU 38 0.465 -1.709 -8.493 240 HB3 LEU 38 1HB LEU 38 -1.194 -2.213 -8.746 241 HG LEU 38 HG LEU 38 -0.185 0.543 -9.442 242 HD11 LEU 38 1HD1 LEU 38 1.035 -0.568 -10.979 243 HD12 LEU 38 2HD1 LEU 38 -0.508 -0.598 -11.832 244 HD13 LEU 38 3HD1 LEU 38 0.019 -2.008 -10.913 245 HD21 LEU 38 3HD2 LEU 38 -2.352 0.936 -9.709 246 HD22 LEU 38 1HD2 LEU 38 -2.758 -0.755 -9.436 247 HD23 LEU 38 2HD2 LEU 38 -2.326 -0.202 -11.055 248 H ALA 39 H ALA 39 -2.686 -0.990 -5.466 249 HA ALA 39 HA ALA 39 -1.366 -3.011 -3.840 250 HB1 ALA 39 3HB ALA 39 -2.677 -0.791 -3.137 251 HB2 ALA 39 1HB ALA 39 -2.656 -2.227 -2.116 252 HB3 ALA 39 2HB ALA 39 -4.043 -1.906 -3.146 253 H ARG 40 H ARG 40 -1.637 -5.016 -4.622 254 HA ARG 40 HA ARG 40 -3.872 -5.872 -6.169 255 HB2 ARG 40 2HB ARG 40 -1.321 -6.760 -5.803 256 HB3 ARG 40 1HB ARG 40 -2.221 -7.923 -4.851 257 HG2 ARG 40 2HG ARG 40 -3.276 -8.825 -6.678 258 HG3 ARG 40 1HG ARG 40 -3.146 -7.340 -7.619 259 HD2 ARG 40 2HD ARG 40 -0.701 -8.892 -6.858 260 HD3 ARG 40 1HD ARG 40 -1.665 -9.355 -8.259 261 HE ARG 40 HE ARG 40 -0.723 -6.592 -8.075 262 HH11 ARG 40 1HH1 ARG 40 -0.449 -9.734 -9.624 263 HH12 ARG 40 2HH1 ARG 40 0.457 -9.120 -10.967 264 HH21 ARG 40 1HH2 ARG 40 0.464 -5.812 -9.842 265 HH22 ARG 40 2HH2 ARG 40 0.974 -6.903 -11.089 266 H TRP 41 H TRP 41 -5.749 -6.741 -5.559 267 HA TRP 41 HA TRP 41 -6.280 -7.108 -2.725 268 HB2 TRP 41 2HB TRP 41 -7.776 -5.744 -4.201 269 HB3 TRP 41 1HB TRP 41 -8.252 -7.228 -5.013 270 HD1 TRP 41 HD TRP 41 -7.939 -6.827 -1.150 271 HE1 TRP 41 1HE TRP 41 -10.258 -7.246 -0.118 272 HE3 TRP 41 3HE TRP 41 -10.655 -7.289 -5.439 273 HZ2 TRP 41 2HZ TRP 41 -12.898 -7.705 -1.008 274 HZ3 TRP 41 3HZ TRP 41 -13.079 -7.713 -5.272 275 HH2 TRP 41 HH TRP 41 -14.175 -7.916 -3.098 276 H THR 42 H THR 42 -7.449 -8.974 -1.929 277 HA THR 42 HA THR 42 -6.169 -11.395 -2.686 278 HB THR 42 HB THR 42 -6.632 -11.003 -0.362 279 HG1 THR 42 1HG THR 42 -6.616 -13.168 -0.831 280 HG21 THR 42 1HG2 THR 42 -8.794 -9.722 -0.740 281 HG22 THR 42 2HG2 THR 42 -8.780 -10.833 0.630 282 HG23 THR 42 3HG2 THR 42 -9.593 -11.290 -0.867 283 H ASP 43 H ASP 43 -8.851 -9.989 -4.106 284 HA ASP 43 HA ASP 43 -10.176 -12.526 -4.705 285 HB2 ASP 43 2HB ASP 43 -11.188 -10.020 -4.262 286 HB3 ASP 43 1HB ASP 43 -11.208 -10.115 -6.025 287 H GLY 44 H GLY 44 -7.661 -10.767 -5.962 288 HA2 GLY 44 2HA GLY 44 -6.472 -11.612 -7.876 289 HA3 GLY 44 1HA GLY 44 -8.017 -12.008 -8.610 290 H LEU 45 H LEU 45 -8.811 -9.178 -7.471 291 HA LEU 45 HA LEU 45 -8.127 -7.763 -9.921 292 HB2 LEU 45 2HB LEU 45 -10.089 -7.232 -7.703 293 HB3 LEU 45 1HB LEU 45 -9.759 -6.055 -8.965 294 HG LEU 45 HG LEU 45 -10.398 -8.679 -10.053 295 HD11 LEU 45 1HD1 LEU 45 -12.392 -7.318 -8.257 296 HD12 LEU 45 2HD1 LEU 45 -11.790 -8.972 -8.146 297 HD13 LEU 45 3HD1 LEU 45 -12.827 -8.499 -9.492 298 HD21 LEU 45 3HD2 LEU 45 -10.310 -6.454 -11.226 299 HD22 LEU 45 1HD2 LEU 45 -11.811 -6.047 -10.395 300 HD23 LEU 45 2HD2 LEU 45 -11.763 -7.412 -11.512 301 H LEU 46 H LEU 46 -7.116 -5.786 -10.009 302 HA LEU 46 HA LEU 46 -5.265 -5.195 -7.860 303 HB2 LEU 46 2HB LEU 46 -4.639 -5.273 -10.303 304 HB3 LEU 46 1HB LEU 46 -5.628 -3.843 -10.533 305 HG LEU 46 HG LEU 46 -4.091 -2.622 -8.978 306 HD11 LEU 46 1HD1 LEU 46 -2.560 -3.724 -7.800 307 HD12 LEU 46 2HD1 LEU 46 -1.799 -4.262 -9.300 308 HD13 LEU 46 3HD1 LEU 46 -3.057 -5.239 -8.551 309 HD21 LEU 46 3HD2 LEU 46 -2.140 -2.975 -10.804 310 HD22 LEU 46 1HD2 LEU 46 -3.593 -2.023 -11.077 311 HD23 LEU 46 2HD2 LEU 46 -3.518 -3.683 -11.648 312 H TYR 47 H TYR 47 -4.902 -2.930 -7.178 313 HA TYR 47 HA TYR 47 -7.299 -1.229 -7.170 314 HB2 TYR 47 2HB TYR 47 -5.814 -2.267 -4.750 315 HB3 TYR 47 1HB TYR 47 -6.695 -0.753 -4.690 316 HD1 TYR 47 1HD TYR 47 -8.676 -2.834 -6.725 317 HD2 TYR 47 2HD TYR 47 -7.476 -2.330 -2.674 318 HE1 TYR 47 1HE TYR 47 -10.703 -3.994 -5.990 319 HE2 TYR 47 2HE TYR 47 -9.502 -3.501 -1.932 320 HH TYR 47 HH TYR 47 -12.091 -4.244 -4.092 321 H LEU 48 H LEU 48 -6.768 0.853 -7.596 322 HA LEU 48 HA LEU 48 -3.935 1.585 -7.558 323 HB2 LEU 48 2HB LEU 48 -5.110 1.979 -9.656 324 HB3 LEU 48 1HB LEU 48 -6.317 2.950 -8.831 325 HG LEU 48 HG LEU 48 -4.347 4.523 -8.235 326 HD11 LEU 48 1HD1 LEU 48 -2.515 4.511 -9.883 327 HD12 LEU 48 2HD1 LEU 48 -3.111 2.973 -10.507 328 HD13 LEU 48 3HD1 LEU 48 -2.509 3.081 -8.852 329 HD21 LEU 48 3HD2 LEU 48 -5.190 4.298 -11.117 330 HD22 LEU 48 1HD2 LEU 48 -4.628 5.747 -10.285 331 HD23 LEU 48 2HD2 LEU 48 -6.166 5.015 -9.834 332 H GLY 49 H GLY 49 -3.086 3.010 -6.201 333 HA2 GLY 49 2HA GLY 49 -4.718 4.916 -4.751 334 HA3 GLY 49 1HA GLY 49 -4.073 3.629 -3.760 335 H THR 50 H THR 50 -3.510 6.364 -3.375 336 HA THR 50 HA THR 50 -0.685 6.574 -4.193 337 HB THR 50 HB THR 50 -1.579 8.932 -2.815 338 HG1 THR 50 1HG THR 50 -3.156 9.592 -4.379 339 HG21 THR 50 1HG2 THR 50 -0.794 10.026 -4.838 340 HG22 THR 50 2HG2 THR 50 -0.821 8.493 -5.709 341 HG23 THR 50 3HG2 THR 50 0.322 8.736 -4.389 342 H ILE 51 H ILE 51 0.915 6.980 -2.646 343 HA ILE 51 HA ILE 51 0.447 5.641 -0.160 344 HB ILE 51 HB ILE 51 2.938 6.984 -1.212 345 HG12 ILE 51 2HG1 ILE 51 2.122 5.048 -2.530 346 HG13 ILE 51 1HG1 ILE 51 3.685 4.746 -1.790 347 HG21 ILE 51 1HG2 ILE 51 3.006 4.949 0.985 348 HG22 ILE 51 2HG2 ILE 51 2.720 6.646 1.368 349 HG23 ILE 51 3HG2 ILE 51 4.205 6.166 0.548 350 HD11 ILE 51 3HD1 ILE 51 2.841 2.839 -1.022 351 HD12 ILE 51 1HD1 ILE 51 1.221 3.293 -1.535 352 HD13 ILE 51 2HD1 ILE 51 1.813 3.790 0.046 353 H LYS 52 H LYS 52 -0.301 6.451 1.591 354 HA LYS 52 HA LYS 52 -0.078 9.321 2.150 355 HB2 LYS 52 2HB LYS 52 -2.046 7.270 2.711 356 HB3 LYS 52 1HB LYS 52 -1.568 8.092 4.188 357 HG2 LYS 52 2HG LYS 52 -2.251 9.761 1.822 358 HG3 LYS 52 1HG LYS 52 -3.560 8.965 2.695 359 HD2 LYS 52 2HD LYS 52 -2.944 10.048 4.742 360 HD3 LYS 52 1HD LYS 52 -1.476 10.700 4.012 361 HE2 LYS 52 2HE LYS 52 -2.779 12.096 2.538 362 HE3 LYS 52 1HE LYS 52 -4.276 11.369 3.118 363 HZ1 LYS 52 3HZ LYS 52 -3.722 12.253 5.347 364 HZ2 LYS 52 1HZ LYS 52 -3.973 13.463 4.191 365 HZ3 LYS 52 2HZ LYS 52 -2.402 13.066 4.671 366 H LYS 53 H LYS 53 1.003 6.192 3.261 367 HA LYS 53 HA LYS 53 2.870 7.455 5.103 368 HB2 LYS 53 2HB LYS 53 0.580 6.525 6.190 369 HB3 LYS 53 1HB LYS 53 1.520 5.041 6.175 370 HG2 LYS 53 2HG LYS 53 3.318 6.778 7.235 371 HG3 LYS 53 1HG LYS 53 1.800 7.426 7.858 372 HD2 LYS 53 2HD LYS 53 2.370 5.898 9.498 373 HD3 LYS 53 1HD LYS 53 1.311 4.934 8.469 374 HE2 LYS 53 2HE LYS 53 3.048 3.465 8.648 375 HE3 LYS 53 1HE LYS 53 3.623 4.400 7.262 376 HZ1 LYS 53 3HZ LYS 53 4.354 5.390 9.906 377 HZ2 LYS 53 1HZ LYS 53 5.258 5.351 8.474 378 HZ3 LYS 53 2HZ LYS 53 5.098 3.953 9.413 379 H VAL 54 H VAL 54 4.561 5.905 5.816 380 HA VAL 54 HA VAL 54 4.897 3.586 4.052 381 HB VAL 54 HB VAL 54 6.974 5.777 4.372 382 HG11 VAL 54 1HG1 VAL 54 7.248 3.055 3.095 383 HG12 VAL 54 2HG1 VAL 54 8.179 3.707 4.444 384 HG13 VAL 54 3HG1 VAL 54 8.375 4.387 2.829 385 HG21 VAL 54 3HG2 VAL 54 5.404 4.767 2.012 386 HG22 VAL 54 1HG2 VAL 54 6.852 5.760 1.848 387 HG23 VAL 54 2HG2 VAL 54 5.436 6.397 2.683 388 H ASP 55 H ASP 55 5.865 1.880 4.951 389 HA ASP 55 HA ASP 55 7.000 2.144 7.653 390 HB2 ASP 55 2HB ASP 55 4.917 0.288 6.598 391 HB3 ASP 55 1HB ASP 55 6.093 -0.386 7.731 392 H SER 56 H SER 56 9.062 2.333 6.619 393 HA SER 56 HA SER 56 10.110 0.253 4.949 394 HB2 SER 56 2HB SER 56 11.631 2.433 6.391 395 HB3 SER 56 1HB SER 56 12.176 1.504 4.995 396 HG SER 56 HG SER 56 10.213 3.514 5.138 397 H ALA 57 H ALA 57 9.595 0.381 8.250 398 HA ALA 57 HA ALA 57 11.937 -1.185 9.005 399 HB1 ALA 57 3HB ALA 57 11.277 -0.882 11.249 400 HB2 ALA 57 1HB ALA 57 9.631 -0.448 10.789 401 HB3 ALA 57 2HB ALA 57 10.962 0.656 10.445 402 H ARG 58 H ARG 58 8.435 -1.566 8.686 403 HA ARG 58 HA ARG 58 8.677 -4.440 9.245 404 HB2 ARG 58 2HB ARG 58 6.494 -2.441 9.517 405 HB3 ARG 58 1HB ARG 58 6.023 -4.081 9.095 406 HG2 ARG 58 2HG ARG 58 7.914 -3.803 11.347 407 HG3 ARG 58 1HG ARG 58 6.270 -3.225 11.620 408 HD2 ARG 58 2HD ARG 58 5.365 -5.376 11.017 409 HD3 ARG 58 1HD ARG 58 6.965 -5.965 10.569 410 HE ARG 58 HE ARG 58 7.073 -5.142 13.231 411 HH11 ARG 58 1HH1 ARG 58 5.507 -7.660 11.351 412 HH12 ARG 58 2HH1 ARG 58 5.439 -8.770 12.678 413 HH21 ARG 58 1HH2 ARG 58 6.975 -6.612 14.957 414 HH22 ARG 58 2HH2 ARG 58 6.268 -8.176 14.717 415 H GLU 59 H GLU 59 8.879 -2.503 6.646 416 HA GLU 59 HA GLU 59 8.683 -2.717 4.401 417 HB2 GLU 59 2HB GLU 59 8.489 -5.602 5.224 418 HB3 GLU 59 1HB GLU 59 8.321 -5.142 3.536 419 HG2 GLU 59 2HG GLU 59 10.666 -4.097 5.020 420 HG3 GLU 59 1HG GLU 59 10.654 -5.811 4.593 421 H VAL 60 H VAL 60 6.541 -1.626 5.440 422 HA VAL 60 HA VAL 60 4.332 -2.645 3.792 423 HB VAL 60 HB VAL 60 3.573 -1.456 6.419 424 HG11 VAL 60 1HG1 VAL 60 1.778 -1.876 4.995 425 HG12 VAL 60 2HG1 VAL 60 1.747 -3.196 6.164 426 HG13 VAL 60 3HG1 VAL 60 2.393 -3.464 4.547 427 HG21 VAL 60 3HG2 VAL 60 5.236 -3.166 7.074 428 HG22 VAL 60 1HG2 VAL 60 4.294 -4.377 6.204 429 HG23 VAL 60 2HG2 VAL 60 3.602 -3.563 7.607 430 H CYS 61 H CYS 61 2.541 -0.920 3.625 431 HA CYS 61 HA CYS 61 3.362 1.840 4.016 432 HB2 CYS 61 2HB CYS 61 2.379 1.546 1.290 433 HB3 CYS 61 1HB CYS 61 3.759 2.458 1.881 434 HG CYS 61 HG CYS 61 4.133 -0.881 1.637 435 H LEU 62 H LEU 62 1.679 3.249 4.100 436 HA LEU 62 HA LEU 62 -0.995 2.075 3.834 437 HB2 LEU 62 2HB LEU 62 0.025 3.519 5.927 438 HB3 LEU 62 1HB LEU 62 -0.756 4.773 4.992 439 HG LEU 62 HG LEU 62 -2.436 4.196 6.470 440 HD11 LEU 62 1HD1 LEU 62 -3.371 2.062 4.675 441 HD12 LEU 62 2HD1 LEU 62 -2.929 3.567 3.869 442 HD13 LEU 62 3HD1 LEU 62 -4.145 3.576 5.145 443 HD21 LEU 62 3HD2 LEU 62 -1.092 1.600 6.497 444 HD22 LEU 62 1HD2 LEU 62 -2.846 1.516 6.658 445 HD23 LEU 62 2HD2 LEU 62 -1.901 2.480 7.792 446 H VAL 63 H VAL 63 -2.238 2.666 2.219 447 HA VAL 63 HA VAL 63 -1.550 5.101 0.741 448 HB VAL 63 HB VAL 63 -0.908 3.953 -1.051 449 HG11 VAL 63 1HG1 VAL 63 -1.066 1.373 -1.027 450 HG12 VAL 63 2HG1 VAL 63 -1.529 1.602 0.656 451 HG13 VAL 63 3HG1 VAL 63 0.028 2.197 0.083 452 HG21 VAL 63 3HG2 VAL 63 -2.396 2.816 -2.460 453 HG22 VAL 63 1HG2 VAL 63 -3.342 4.060 -1.643 454 HG23 VAL 63 2HG2 VAL 63 -3.453 2.380 -1.117 455 H GLN 64 H GLN 64 -3.175 6.237 -0.162 456 HA GLN 64 HA GLN 64 -5.875 5.613 0.761 457 HB2 GLN 64 2HB GLN 64 -4.707 7.940 0.976 458 HB3 GLN 64 1HB GLN 64 -5.081 8.119 -0.730 459 HG2 GLN 64 2HG GLN 64 -7.179 8.712 -0.274 460 HG3 GLN 64 1HG GLN 64 -7.423 7.278 0.727 461 HE21 GLN 64 1HE2 GLN 64 -7.922 7.672 2.751 462 HE22 GLN 64 2HE2 GLN 64 -7.500 9.083 3.654 463 H PHE 65 H PHE 65 -7.533 5.158 -0.669 464 HA PHE 65 HA PHE 65 -6.698 4.659 -3.431 465 HB2 PHE 65 2HB PHE 65 -8.814 3.362 -1.711 466 HB3 PHE 65 1HB PHE 65 -8.561 2.984 -3.418 467 HD1 PHE 65 2HD PHE 65 -6.973 2.880 -0.067 468 HD2 PHE 65 1HD PHE 65 -6.814 1.591 -4.098 469 HE1 PHE 65 2HE PHE 65 -5.186 1.289 0.519 470 HE2 PHE 65 1HE PHE 65 -5.025 0.012 -3.531 471 HZ PHE 65 HZ PHE 65 -4.228 -0.156 -1.225 472 H GLU 66 H GLU 66 -8.410 4.726 -5.097 473 HA GLU 66 HA GLU 66 -9.401 7.268 -5.503 474 HB2 GLU 66 2HB GLU 66 -9.166 5.057 -7.029 475 HB3 GLU 66 1HB GLU 66 -10.908 5.087 -6.804 476 HG2 GLU 66 2HG GLU 66 -9.431 7.524 -7.729 477 HG3 GLU 66 1HG GLU 66 -9.909 6.249 -8.847 478 H ASP 67 H ASP 67 -11.201 4.409 -4.298 479 HA ASP 67 HA ASP 67 -13.607 6.006 -3.994 480 HB2 ASP 67 2HB ASP 67 -13.627 3.650 -4.788 481 HB3 ASP 67 1HB ASP 67 -13.092 3.134 -3.197 482 H ASP 68 H ASP 68 -11.307 6.848 -2.455 483 HA ASP 68 HA ASP 68 -10.661 7.588 -0.422 484 HB2 ASP 68 2HB ASP 68 -13.656 7.661 -0.188 485 HB3 ASP 68 1HB ASP 68 -12.629 8.209 1.135 486 H SER 69 H SER 69 -9.908 5.150 -0.335 487 HA SER 69 HA SER 69 -10.815 4.106 2.268 488 HB2 SER 69 2HB SER 69 -11.221 2.744 -0.005 489 HB3 SER 69 1HB SER 69 -9.572 2.192 0.339 490 HG SER 69 HG SER 69 -11.637 2.152 2.283 491 H GLN 70 H GLN 70 -9.322 3.937 3.787 492 HA GLN 70 HA GLN 70 -6.502 4.220 3.040 493 HB2 GLN 70 2HB GLN 70 -8.096 4.913 5.433 494 HB3 GLN 70 1HB GLN 70 -6.507 4.243 5.774 495 HG2 GLN 70 2HG GLN 70 -6.832 6.490 3.824 496 HG3 GLN 70 1HG GLN 70 -6.771 6.793 5.560 497 HE21 GLN 70 1HE2 GLN 70 -4.995 6.018 2.740 498 HE22 GLN 70 2HE2 GLN 70 -3.421 5.996 3.465 499 H PHE 71 H PHE 71 -5.968 2.252 2.344 500 HA PHE 71 HA PHE 71 -6.375 -0.030 4.161 501 HB2 PHE 71 2HB PHE 71 -6.852 0.370 1.300 502 HB3 PHE 71 1HB PHE 71 -5.942 -1.093 1.632 503 HD1 PHE 71 1HD PHE 71 -8.360 -0.097 4.201 504 HD2 PHE 71 2HD PHE 71 -7.856 -2.219 0.547 505 HE1 PHE 71 1HE PHE 71 -10.468 -1.283 4.605 506 HE2 PHE 71 2HE PHE 71 -9.966 -3.416 0.952 507 HZ PHE 71 HZ PHE 71 -11.276 -2.946 2.981 508 H LEU 72 H LEU 72 -4.639 -0.973 4.944 509 HA LEU 72 HA LEU 72 -2.013 -0.074 4.204 510 HB2 LEU 72 2HB LEU 72 -1.418 -2.134 5.825 511 HB3 LEU 72 1HB LEU 72 -1.811 -0.537 6.411 512 HG LEU 72 HG LEU 72 -2.844 -2.373 7.708 513 HD11 LEU 72 1HD1 LEU 72 -4.374 -0.198 6.441 514 HD12 LEU 72 2HD1 LEU 72 -4.009 -0.501 8.138 515 HD13 LEU 72 3HD1 LEU 72 -5.290 -1.411 7.335 516 HD21 LEU 72 3HD2 LEU 72 -3.813 -3.181 5.074 517 HD22 LEU 72 1HD2 LEU 72 -5.066 -3.148 6.314 518 HD23 LEU 72 2HD2 LEU 72 -3.615 -4.122 6.552 519 H VAL 73 H VAL 73 -0.635 -0.960 2.901 520 HA VAL 73 HA VAL 73 -1.146 -3.703 1.926 521 HB VAL 73 HB VAL 73 0.133 -1.848 -0.004 522 HG11 VAL 73 1HG1 VAL 73 -0.415 -4.350 -0.271 523 HG12 VAL 73 2HG1 VAL 73 -0.748 -3.260 -1.613 524 HG13 VAL 73 3HG1 VAL 73 -2.063 -3.799 -0.567 525 HG21 VAL 73 3HG2 VAL 73 -1.907 -0.644 1.039 526 HG22 VAL 73 1HG2 VAL 73 -2.861 -1.818 0.134 527 HG23 VAL 73 2HG2 VAL 73 -1.774 -0.721 -0.715 528 H LEU 74 H LEU 74 0.564 -4.944 1.276 529 HA LEU 74 HA LEU 74 3.103 -4.339 2.563 530 HB2 LEU 74 2HB LEU 74 2.228 -6.841 1.102 531 HB3 LEU 74 1HB LEU 74 3.682 -6.670 2.050 532 HG LEU 74 HG LEU 74 2.214 -7.969 3.347 533 HD11 LEU 74 1HD1 LEU 74 2.370 -6.910 5.299 534 HD12 LEU 74 2HD1 LEU 74 1.469 -5.505 4.733 535 HD13 LEU 74 3HD1 LEU 74 3.185 -5.664 4.354 536 HD21 LEU 74 3HD2 LEU 74 -0.099 -7.272 3.909 537 HD22 LEU 74 1HD2 LEU 74 0.145 -7.634 2.200 538 HD23 LEU 74 2HD2 LEU 74 0.057 -5.959 2.743 539 H TRP 75 H TRP 75 5.099 -4.344 1.493 540 HA TRP 75 HA TRP 75 5.203 -3.148 -1.050 541 HB2 TRP 75 2HB TRP 75 7.415 -4.609 0.412 542 HB3 TRP 75 1HB TRP 75 7.649 -3.572 -0.979 543 HD1 TRP 75 HD TRP 75 5.218 -2.330 1.670 544 HE1 TRP 75 1HE TRP 75 6.271 -0.365 2.929 545 HE3 TRP 75 3HE TRP 75 10.007 -2.626 -0.154 546 HZ2 TRP 75 2HZ TRP 75 8.773 0.896 3.151 547 HZ3 TRP 75 3HZ TRP 75 11.664 -0.994 0.651 548 HH2 TRP 75 HH TRP 75 11.055 0.731 2.273 549 H LYS 76 H LYS 76 4.731 -6.396 -0.228 550 HA LYS 76 HA LYS 76 5.845 -7.596 -2.614 551 HB2 LYS 76 2HB LYS 76 3.996 -8.743 -0.507 552 HB3 LYS 76 1HB LYS 76 4.784 -9.668 -1.776 553 HG2 LYS 76 2HG LYS 76 6.919 -9.331 -0.826 554 HG3 LYS 76 1HG LYS 76 6.316 -8.092 0.273 555 HD2 LYS 76 2HD LYS 76 4.921 -10.639 0.551 556 HD3 LYS 76 1HD LYS 76 6.650 -10.765 0.879 557 HE2 LYS 76 2HE LYS 76 4.972 -8.595 2.111 558 HE3 LYS 76 1HE LYS 76 5.075 -10.201 2.832 559 HZ1 LYS 76 3HZ LYS 76 7.234 -8.217 2.460 560 HZ2 LYS 76 1HZ LYS 76 7.578 -9.853 2.724 561 HZ3 LYS 76 2HZ LYS 76 6.726 -8.968 3.888 562 H ASP 77 H ASP 77 2.670 -6.647 -1.417 563 HA ASP 77 HA ASP 77 1.299 -7.574 -3.812 564 HB2 ASP 77 2HB ASP 77 0.520 -6.734 -1.104 565 HB3 ASP 77 1HB ASP 77 -0.591 -6.232 -2.371 566 H ILE 78 H ILE 78 3.045 -4.877 -3.067 567 HA ILE 78 HA ILE 78 1.285 -3.005 -4.468 568 HB ILE 78 HB ILE 78 3.807 -2.502 -2.877 569 HG12 ILE 78 2HG1 ILE 78 1.029 -1.476 -2.308 570 HG13 ILE 78 1HG1 ILE 78 1.533 -3.075 -1.777 571 HG21 ILE 78 1HG2 ILE 78 2.452 -0.828 -4.844 572 HG22 ILE 78 2HG2 ILE 78 4.034 -0.625 -4.095 573 HG23 ILE 78 3HG2 ILE 78 2.587 -0.056 -3.263 574 HD11 ILE 78 3HD1 ILE 78 1.960 -0.580 -0.531 575 HD12 ILE 78 1HD1 ILE 78 3.526 -1.258 -0.974 576 HD13 ILE 78 2HD1 ILE 78 2.412 -2.193 0.023 577 H SER 79 H SER 79 1.718 -2.121 -6.379 578 HA SER 79 HA SER 79 4.252 -2.731 -7.739 579 HB2 SER 79 2HB SER 79 1.818 -3.913 -8.402 580 HB3 SER 79 1HB SER 79 1.960 -2.588 -9.561 581 HG SER 79 HG SER 79 3.758 -4.731 -9.111 582 HA PRO 80 HA PRO 80 3.944 1.856 -7.817 583 HB2 PRO 80 2HB PRO 80 6.370 1.426 -9.507 584 HB3 PRO 80 1HB PRO 80 6.108 2.573 -8.188 585 HG2 PRO 80 2HG PRO 80 7.557 0.407 -7.762 586 HG3 PRO 80 1HG PRO 80 6.381 0.942 -6.544 587 HD2 PRO 80 2HD PRO 80 6.172 -1.296 -8.527 588 HD3 PRO 80 1HD PRO 80 5.648 -1.238 -6.830 589 H ALA 81 H ALA 81 2.569 2.829 -9.108 590 HA ALA 81 HA ALA 81 1.880 1.907 -11.704 591 HB1 ALA 81 3HB ALA 81 0.705 4.345 -11.568 592 HB2 ALA 81 1HB ALA 81 0.974 4.011 -9.858 593 HB3 ALA 81 2HB ALA 81 0.039 2.883 -10.839 594 H ALA 82 H ALA 82 3.315 5.011 -10.641 595 HA ALA 82 HA ALA 82 4.742 6.489 -11.573 596 HB1 ALA 82 3HB ALA 82 6.279 4.722 -12.024 597 HB2 ALA 82 1HB ALA 82 6.244 5.786 -13.431 598 HB3 ALA 82 2HB ALA 82 5.392 4.244 -13.471 599 H LEU 83 H LEU 83 2.506 4.938 -13.782 600 HA LEU 83 HA LEU 83 2.550 7.209 -15.614 601 HB2 LEU 83 2HB LEU 83 2.326 4.595 -16.123 602 HB3 LEU 83 1HB LEU 83 0.624 4.970 -15.939 603 HG LEU 83 HG LEU 83 1.489 6.951 -17.648 604 HD11 LEU 83 1HD1 LEU 83 2.840 4.375 -18.438 605 HD12 LEU 83 2HD1 LEU 83 3.665 5.825 -17.865 606 HD13 LEU 83 3HD1 LEU 83 2.772 5.860 -19.386 607 HD21 LEU 83 3HD2 LEU 83 0.227 4.269 -18.175 608 HD22 LEU 83 1HD2 LEU 83 0.365 5.536 -19.394 609 HD23 LEU 83 2HD2 LEU 83 -0.579 5.819 -17.931 610 HA ALA 331 HA ALA 331 -21.375 8.137 -11.960 611 HB1 ALA 331 3HB ALA 331 -23.306 8.212 -9.648 612 HB2 ALA 331 1HB ALA 331 -23.256 9.414 -10.938 613 HB3 ALA 331 2HB ALA 331 -21.864 9.202 -9.876 614 H THR 332 H THR 332 -23.177 5.642 -10.198 615 HA THR 332 HA THR 332 -20.658 4.683 -9.026 616 HB THR 332 HB THR 332 -22.304 5.127 -7.320 617 HG1 THR 332 1HG THR 332 -21.345 3.400 -6.547 618 HG21 THR 332 1HG2 THR 332 -24.484 4.203 -7.198 619 HG22 THR 332 2HG2 THR 332 -24.178 3.102 -8.541 620 HG23 THR 332 3HG2 THR 332 -24.325 4.834 -8.838 621 H GLY 333 H GLY 333 -20.104 2.477 -9.100 622 HA2 GLY 333 2HA GLY 333 -21.250 0.271 -10.027 623 HA3 GLY 333 1HA GLY 333 -21.011 1.143 -11.533 624 H GLY 334 H GLY 334 -18.581 2.273 -11.275 625 HA2 GLY 334 2HA GLY 334 -16.770 -0.023 -10.832 626 HA3 GLY 334 1HA GLY 334 -16.589 1.092 -12.177 627 H VAL 335 H VAL 335 -15.330 0.283 -9.290 628 HA VAL 335 HA VAL 335 -14.602 3.028 -8.539 629 HB VAL 335 HB VAL 335 -13.676 1.951 -6.432 630 HG11 VAL 335 1HG1 VAL 335 -15.652 3.182 -6.226 631 HG12 VAL 335 2HG1 VAL 335 -16.004 1.632 -5.461 632 HG13 VAL 335 3HG1 VAL 335 -16.600 1.969 -7.086 633 HG21 VAL 335 3HG2 VAL 335 -14.532 -0.226 -5.765 634 HG22 VAL 335 1HG2 VAL 335 -13.578 -0.381 -7.240 635 HG23 VAL 335 2HG2 VAL 335 -15.339 -0.411 -7.322 636 H M3L 336 H M3L 336 -12.410 3.573 -8.071 637 HA M3L 336 HA M3L 336 -10.236 3.842 -8.691 638 HB2 M3L 336 1HB M3L 336 -8.762 1.850 -8.517 639 HB3 M3L 336 2HB M3L 336 -10.189 0.830 -8.401 640 HG2 M3L 336 1HG M3L 336 -10.120 3.033 -6.479 641 HG3 M3L 336 2HG M3L 336 -8.833 1.852 -6.272 642 HD2 M3L 336 1HD M3L 336 -10.319 0.109 -5.891 643 HD3 M3L 336 2HD M3L 336 -11.663 0.972 -6.636 644 HE2 M3L 336 1HE M3L 336 -12.259 1.856 -4.680 645 HE3 M3L 336 2HE M3L 336 -10.650 2.496 -4.420 646 HM11 M3L 336 1HM1 M3L 336 -8.978 0.470 -4.157 647 HM12 M3L 336 2HM1 M3L 336 -9.416 -0.721 -2.987 648 HM13 M3L 336 3HM1 M3L 336 -9.117 0.905 -2.491 649 HM21 M3L 336 1HM2 M3L 336 -11.271 -1.346 -4.264 650 HM22 M3L 336 2HM2 M3L 336 -12.718 -0.404 -4.263 651 HM23 M3L 336 3HM2 M3L 336 -12.124 -1.068 -2.785 652 HM31 M3L 336 3HM3 M3L 336 -11.045 0.821 -1.345 653 HM32 M3L 336 1HM3 M3L 336 -12.545 1.216 -2.106 654 HM33 M3L 336 2HM3 M3L 336 -11.221 2.322 -2.181 655 H LYS 337 H LYS 337 -8.468 3.328 -10.305 656 HA LYS 337 HA LYS 337 -9.519 2.246 -12.819 657 HB2 LYS 337 2HB LYS 337 -8.460 4.189 -14.055 658 HB3 LYS 337 1HB LYS 337 -9.905 4.568 -13.138 659 HG2 LYS 337 2HG LYS 337 -7.225 5.022 -11.891 660 HG3 LYS 337 1HG LYS 337 -7.825 6.164 -13.091 661 HD2 LYS 337 2HD LYS 337 -9.769 5.442 -11.004 662 HD3 LYS 337 1HD LYS 337 -8.346 6.304 -10.409 663 HE2 LYS 337 2HE LYS 337 -8.809 8.193 -11.684 664 HE3 LYS 337 1HE LYS 337 -9.836 7.305 -12.809 665 HZ1 LYS 337 3HZ LYS 337 -10.641 8.770 -10.605 666 HZ2 LYS 337 1HZ LYS 337 -10.893 7.149 -10.190 667 HZ3 LYS 337 2HZ LYS 337 -11.604 7.785 -11.586 668 HA PRO 338 HA PRO 338 -5.000 1.027 -12.049 669 HB2 PRO 338 2HB PRO 338 -5.773 -1.612 -11.151 670 HB3 PRO 338 1HB PRO 338 -4.899 -0.363 -10.259 671 HG2 PRO 338 2HG PRO 338 -7.408 -1.167 -9.601 672 HG3 PRO 338 1HG PRO 338 -6.800 0.476 -9.320 673 HD2 PRO 338 2HD PRO 338 -8.493 -0.542 -11.593 674 HD3 PRO 338 1HD PRO 338 -8.730 0.908 -10.590 675 H HIS 339 H HIS 339 -4.204 -1.544 -12.544 676 HA HIS 339 HA HIS 339 -4.730 -1.839 -15.372 677 HB2 HIS 339 2HB HIS 339 -2.522 -2.271 -15.326 678 HB3 HIS 339 1HB HIS 339 -2.547 -2.238 -13.577 679 HD1 HIS 339 1HD HIS 339 -3.180 -4.807 -16.317 680 HD2 HIS 339 2HD HIS 339 -1.622 -4.463 -12.481 681 HE1 HIS 339 1HE HIS 339 -2.225 -7.063 -15.775 682 HE2 HIS 339 2HE HIS 339 -1.384 -6.870 -13.409 683 H ARG 340 H ARG 340 -4.950 -4.116 -16.259 684 HA ARG 340 HA ARG 340 -7.376 -5.230 -15.645 685 HB2 ARG 340 2HB ARG 340 -5.469 -5.652 -17.544 686 HB3 ARG 340 1HB ARG 340 -5.436 -7.178 -16.673 687 HG2 ARG 340 2HG ARG 340 -7.768 -7.535 -17.083 688 HG3 ARG 340 1HG ARG 340 -7.931 -5.924 -17.787 689 HD2 ARG 340 2HD ARG 340 -7.354 -6.714 -19.792 690 HD3 ARG 340 1HD ARG 340 -5.837 -7.325 -19.135 691 HE ARG 340 HE ARG 340 -6.926 -9.409 -18.689 692 HH11 ARG 340 1HH1 ARG 340 -8.844 -7.209 -20.645 693 HH12 ARG 340 2HH1 ARG 340 -9.852 -8.468 -21.276 694 HH21 ARG 340 1HH2 ARG 340 -8.258 -11.039 -19.529 695 HH22 ARG 340 2HH2 ARG 340 -9.519 -10.633 -20.645 696 H TYR 341 H TYR 341 -4.246 -6.275 -14.356 697 HA TYR 341 HA TYR 341 -5.677 -7.926 -12.385 698 HB2 TYR 341 2HB TYR 341 -3.390 -8.665 -14.153 699 HB3 TYR 341 1HB TYR 341 -3.420 -9.322 -12.519 700 HD1 TYR 341 1HD TYR 341 -5.066 -9.322 -15.794 701 HD2 TYR 341 2HD TYR 341 -5.111 -10.932 -11.855 702 HE1 TYR 341 1HE TYR 341 -6.615 -11.080 -16.537 703 HE2 TYR 341 2HE TYR 341 -6.660 -12.696 -12.589 704 HH TYR 341 HH TYR 341 -7.464 -13.153 -15.956 Start of MODEL 17 1 HA SER 5 HA SER 5 -1.333 5.180 21.159 2 HB2 SER 5 2HB SER 5 -1.724 7.522 20.097 3 HB3 SER 5 1HB SER 5 0.034 7.589 19.987 4 HG SER 5 HG SER 5 -1.302 6.636 18.164 5 H ARG 6 H ARG 6 1.223 7.344 22.323 6 HA ARG 6 HA ARG 6 3.256 5.360 21.619 7 HB2 ARG 6 2HB ARG 6 4.875 7.189 22.353 8 HB3 ARG 6 1HB ARG 6 3.944 7.491 20.898 9 HG2 ARG 6 2HG ARG 6 2.503 9.015 22.053 10 HG3 ARG 6 1HG ARG 6 3.212 8.584 23.611 11 HD2 ARG 6 2HD ARG 6 5.000 9.928 23.303 12 HD3 ARG 6 1HD ARG 6 5.140 9.505 21.597 13 HE ARG 6 HE ARG 6 3.075 11.064 21.411 14 HH11 ARG 6 1HH1 ARG 6 5.817 11.576 23.548 15 HH12 ARG 6 2HH1 ARG 6 5.641 13.298 23.546 16 HH21 ARG 6 1HH2 ARG 6 2.869 13.320 21.422 17 HH22 ARG 6 2HH2 ARG 6 3.974 14.284 22.344 18 H LEU 7 H LEU 7 1.418 6.312 24.296 19 HA LEU 7 HA LEU 7 3.379 5.237 26.203 20 HB2 LEU 7 2HB LEU 7 1.867 6.224 27.953 21 HB3 LEU 7 1HB LEU 7 2.676 7.376 26.912 22 HG LEU 7 HG LEU 7 0.018 6.666 25.931 23 HD11 LEU 7 1HD1 LEU 7 0.271 7.946 28.649 24 HD12 LEU 7 2HD1 LEU 7 -0.510 6.410 28.271 25 HD13 LEU 7 3HD1 LEU 7 -1.198 7.919 27.673 26 HD21 LEU 7 3HD2 LEU 7 1.401 8.548 25.133 27 HD22 LEU 7 1HD2 LEU 7 1.254 9.302 26.720 28 HD23 LEU 7 2HD2 LEU 7 -0.180 9.065 25.721 29 H SER 8 H SER 8 0.736 4.241 24.446 30 HA SER 8 HA SER 8 -0.335 2.444 26.481 31 HB2 SER 8 2HB SER 8 -1.959 1.821 24.631 32 HB3 SER 8 1HB SER 8 -2.028 3.497 25.175 33 HG SER 8 HG SER 8 -0.916 4.118 23.351 34 H ARG 9 H ARG 9 1.282 2.268 23.316 35 HA ARG 9 HA ARG 9 1.750 -0.604 23.771 36 HB2 ARG 9 2HB ARG 9 1.447 1.031 21.276 37 HB3 ARG 9 1HB ARG 9 2.361 -0.470 21.229 38 HG2 ARG 9 2HG ARG 9 0.485 -1.763 21.773 39 HG3 ARG 9 1HG ARG 9 -0.429 -0.355 22.322 40 HD2 ARG 9 2HD ARG 9 -0.517 0.487 20.032 41 HD3 ARG 9 1HD ARG 9 0.420 -0.901 19.479 42 HE ARG 9 HE ARG 9 -2.077 -1.491 20.842 43 HH11 ARG 9 1HH1 ARG 9 -0.451 -1.118 17.753 44 HH12 ARG 9 2HH1 ARG 9 -1.657 -2.004 16.880 45 HH21 ARG 9 1HH2 ARG 9 -3.643 -2.648 19.681 46 HH22 ARG 9 2HH2 ARG 9 -3.462 -2.870 17.973 47 H SER 10 H SER 10 3.313 2.370 22.598 48 HA SER 10 HA SER 10 5.459 3.079 22.456 49 HB2 SER 10 2HB SER 10 6.153 1.227 24.737 50 HB3 SER 10 1HB SER 10 6.848 2.801 24.351 51 HG SER 10 HG SER 10 5.322 3.706 25.467 52 H GLY 11 H GLY 11 6.358 2.481 20.597 53 HA2 GLY 11 2HA GLY 11 8.049 1.465 19.353 54 HA3 GLY 11 1HA GLY 11 8.212 0.248 20.605 55 H ALA 12 H ALA 12 5.068 0.927 19.254 56 HA ALA 12 HA ALA 12 5.239 -1.440 17.520 57 HB1 ALA 12 3HB ALA 12 2.704 -1.122 19.008 58 HB2 ALA 12 1HB ALA 12 4.095 -1.672 19.940 59 HB3 ALA 12 2HB ALA 12 3.561 -2.586 18.529 60 H SER 13 H SER 13 3.303 1.391 18.468 61 HA SER 13 HA SER 13 2.548 1.746 15.647 62 HB2 SER 13 2HB SER 13 0.695 2.173 18.005 63 HB3 SER 13 1HB SER 13 0.298 2.437 16.308 64 HG SER 13 HG SER 13 -0.449 0.435 16.742 65 H SER 14 H SER 14 2.374 3.854 14.929 66 HA SER 14 HA SER 14 3.169 5.973 16.813 67 HB2 SER 14 2HB SER 14 4.212 5.518 14.009 68 HB3 SER 14 1HB SER 14 4.497 6.986 14.942 69 HG SER 14 HG SER 14 5.114 4.824 16.413 70 H LEU 15 H LEU 15 2.059 7.834 16.693 71 HA LEU 15 HA LEU 15 -0.137 7.979 14.759 72 HB2 LEU 15 2HB LEU 15 -0.179 8.290 17.439 73 HB3 LEU 15 1HB LEU 15 0.049 9.958 16.949 74 HG LEU 15 HG LEU 15 -1.998 9.237 15.315 75 HD11 LEU 15 1HD1 LEU 15 -3.559 7.870 16.425 76 HD12 LEU 15 2HD1 LEU 15 -2.627 7.882 17.922 77 HD13 LEU 15 3HD1 LEU 15 -2.027 7.002 16.517 78 HD21 LEU 15 3HD2 LEU 15 -2.001 10.406 18.083 79 HD22 LEU 15 1HD2 LEU 15 -3.459 10.312 17.093 80 HD23 LEU 15 2HD2 LEU 15 -2.071 11.246 16.533 81 H TRP 16 H TRP 16 2.653 9.793 15.925 82 HA TRP 16 HA TRP 16 2.420 11.565 13.588 83 HB2 TRP 16 2HB TRP 16 2.472 12.304 16.420 84 HB3 TRP 16 1HB TRP 16 3.707 13.124 15.472 85 HD1 TRP 16 HD TRP 16 2.737 14.533 13.263 86 HE1 TRP 16 1HE TRP 16 0.557 15.880 13.047 87 HE3 TRP 16 3HE TRP 16 0.113 12.490 17.161 88 HZ2 TRP 16 2HZ TRP 16 -1.936 16.060 14.348 89 HZ3 TRP 16 3HZ TRP 16 -2.162 13.313 17.604 90 HH2 TRP 16 HH TRP 16 -3.164 15.060 16.225 91 H ASP 17 H ASP 17 4.351 12.261 12.675 92 HA ASP 17 HA ASP 17 6.796 10.959 13.658 93 HB2 ASP 17 2HB ASP 17 7.463 10.725 11.206 94 HB3 ASP 17 1HB ASP 17 6.197 9.647 11.773 95 HA PRO 18 HA PRO 18 8.846 14.919 13.401 96 HB2 PRO 18 2HB PRO 18 11.114 13.725 11.919 97 HB3 PRO 18 1HB PRO 18 11.103 14.552 13.479 98 HG2 PRO 18 2HG PRO 18 11.438 11.913 13.338 99 HG3 PRO 18 1HG PRO 18 10.472 12.643 14.636 100 HD2 PRO 18 2HD PRO 18 9.554 11.273 12.130 101 HD3 PRO 18 1HD PRO 18 8.929 11.132 13.786 102 H ALA 19 H ALA 19 9.337 16.655 12.035 103 HA ALA 19 HA ALA 19 8.378 16.341 9.291 104 HB1 ALA 19 3HB ALA 19 8.954 18.911 10.752 105 HB2 ALA 19 1HB ALA 19 7.411 18.062 10.836 106 HB3 ALA 19 2HB ALA 19 7.989 18.689 9.293 107 H SER 20 H SER 20 11.254 15.865 10.520 108 HA SER 20 HA SER 20 12.842 17.620 8.839 109 HB2 SER 20 2HB SER 20 13.319 16.101 11.229 110 HB3 SER 20 1HB SER 20 14.512 15.661 10.006 111 HG SER 20 HG SER 20 14.685 17.696 11.512 112 HA PRO 21 HA PRO 21 13.871 13.568 6.561 113 HB2 PRO 21 2HB PRO 21 12.786 11.190 7.219 114 HB3 PRO 21 1HB PRO 21 14.198 11.844 8.051 115 HG2 PRO 21 2HG PRO 21 11.369 11.695 8.951 116 HG3 PRO 21 1HG PRO 21 12.859 11.604 9.904 117 HD2 PRO 21 2HD PRO 21 11.206 13.862 9.603 118 HD3 PRO 21 1HD PRO 21 12.847 13.844 10.274 119 H ALA 22 H ALA 22 12.782 14.492 4.853 120 HA ALA 22 HA ALA 22 10.271 13.192 4.083 121 HB1 ALA 22 3HB ALA 22 9.086 15.061 4.319 122 HB2 ALA 22 1HB ALA 22 10.090 15.817 3.081 123 HB3 ALA 22 2HB ALA 22 10.531 15.960 4.782 124 HA PRO 23 HA PRO 23 12.479 14.609 0.024 125 HB2 PRO 23 2HB PRO 23 15.096 15.700 0.691 126 HB3 PRO 23 1HB PRO 23 13.787 16.447 -0.227 127 HG2 PRO 23 2HG PRO 23 14.525 17.325 2.225 128 HG3 PRO 23 1HG PRO 23 12.853 17.417 1.642 129 HD2 PRO 23 2HD PRO 23 14.110 15.392 3.469 130 HD3 PRO 23 1HD PRO 23 12.549 16.229 3.625 131 H THR 24 H THR 24 13.397 13.057 -1.164 132 HA THR 24 HA THR 24 15.721 11.593 -0.135 133 HB THR 24 HB THR 24 13.801 9.837 -1.488 134 HG1 THR 24 1HG THR 24 12.277 10.994 -0.278 135 HG21 THR 24 1HG2 THR 24 15.016 9.488 1.238 136 HG22 THR 24 2HG2 THR 24 15.966 9.267 -0.232 137 HG23 THR 24 3HG2 THR 24 14.555 8.252 0.067 138 H SER 25 H SER 25 17.202 11.140 -1.644 139 HA SER 25 HA SER 25 16.592 11.842 -4.426 140 HB2 SER 25 2HB SER 25 19.238 11.546 -2.986 141 HB3 SER 25 1HB SER 25 19.070 11.944 -4.696 142 HG SER 25 HG SER 25 18.369 13.905 -4.192 143 H GLY 26 H GLY 26 16.683 10.403 -6.049 144 HA2 GLY 26 2HA GLY 26 18.191 8.122 -6.305 145 HA3 GLY 26 1HA GLY 26 16.755 7.605 -5.437 146 HA PRO 27 HA PRO 27 15.780 8.557 -10.095 147 HB2 PRO 27 2HB PRO 27 17.279 6.998 -11.708 148 HB3 PRO 27 1HB PRO 27 17.789 8.614 -11.210 149 HG2 PRO 27 2HG PRO 27 18.656 5.947 -10.176 150 HG3 PRO 27 1HG PRO 27 19.621 7.405 -10.468 151 HD2 PRO 27 2HD PRO 27 18.710 6.617 -7.992 152 HD3 PRO 27 1HD PRO 27 19.112 8.290 -8.423 153 H ARG 28 H ARG 28 16.099 5.767 -8.216 154 HA ARG 28 HA ARG 28 14.488 4.098 -9.999 155 HB2 ARG 28 2HB ARG 28 14.848 2.347 -8.168 156 HB3 ARG 28 1HB ARG 28 16.247 2.818 -9.115 157 HG2 ARG 28 2HG ARG 28 17.241 3.934 -7.342 158 HG3 ARG 28 1HG ARG 28 15.712 4.160 -6.493 159 HD2 ARG 28 2HD ARG 28 16.835 2.520 -5.256 160 HD3 ARG 28 1HD ARG 28 15.681 1.615 -6.233 161 HE ARG 28 HE ARG 28 17.905 1.569 -7.755 162 HH11 ARG 28 1HH1 ARG 28 17.387 0.763 -4.377 163 HH12 ARG 28 2HH1 ARG 28 18.658 -0.414 -4.345 164 HH21 ARG 28 1HH2 ARG 28 19.561 0.023 -7.691 165 HH22 ARG 28 2HH2 ARG 28 19.888 -0.832 -6.220 166 HA PRO 29 HA PRO 29 10.715 5.003 -7.814 167 HB2 PRO 29 2HB PRO 29 9.243 2.785 -8.359 168 HB3 PRO 29 1HB PRO 29 9.568 4.043 -9.555 169 HG2 PRO 29 2HG PRO 29 10.887 1.384 -9.193 170 HG3 PRO 29 1HG PRO 29 10.422 2.208 -10.692 171 HD2 PRO 29 2HD PRO 29 12.976 2.170 -9.737 172 HD3 PRO 29 1HD PRO 29 12.325 3.497 -10.717 173 H ARG 30 H ARG 30 10.283 4.949 -5.719 174 HA ARG 30 HA ARG 30 10.506 2.431 -4.223 175 HB2 ARG 30 2HB ARG 30 11.947 4.997 -3.716 176 HB3 ARG 30 1HB ARG 30 11.393 4.077 -2.324 177 HG2 ARG 30 2HG ARG 30 12.743 2.236 -2.867 178 HG3 ARG 30 1HG ARG 30 13.038 2.831 -4.502 179 HD2 ARG 30 2HD ARG 30 14.513 4.477 -3.769 180 HD3 ARG 30 1HD ARG 30 13.901 4.423 -2.116 181 HE ARG 30 HE ARG 30 15.102 1.954 -2.902 182 HH11 ARG 30 1HH1 ARG 30 15.871 5.173 -1.730 183 HH12 ARG 30 2HH1 ARG 30 17.370 4.680 -1.015 184 HH21 ARG 30 1HH2 ARG 30 17.070 1.331 -1.963 185 HH22 ARG 30 2HH2 ARG 30 18.048 2.507 -1.149 186 H LEU 31 H LEU 31 9.563 2.762 -1.925 187 HA LEU 31 HA LEU 31 6.866 3.749 -2.198 188 HB2 LEU 31 2HB LEU 31 8.403 2.137 -0.234 189 HB3 LEU 31 1HB LEU 31 7.054 3.045 0.406 190 HG LEU 31 HG LEU 31 6.176 0.921 0.010 191 HD11 LEU 31 1HD1 LEU 31 4.420 1.265 -1.394 192 HD12 LEU 31 2HD1 LEU 31 5.403 2.054 -2.626 193 HD13 LEU 31 3HD1 LEU 31 4.980 2.919 -1.150 194 HD21 LEU 31 3HD2 LEU 31 8.079 0.836 -2.192 195 HD22 LEU 31 1HD2 LEU 31 6.514 0.123 -2.581 196 HD23 LEU 31 2HD2 LEU 31 7.429 -0.465 -1.193 197 H TRP 32 H TRP 32 6.404 5.825 -1.973 198 HA TRP 32 HA TRP 32 7.433 7.330 0.303 199 HB2 TRP 32 2HB TRP 32 8.211 9.216 -1.032 200 HB3 TRP 32 1HB TRP 32 9.058 7.760 -1.533 201 HD1 TRP 32 HD TRP 32 7.803 6.567 -3.852 202 HE1 TRP 32 1HE TRP 32 7.060 7.797 -5.980 203 HE3 TRP 32 3HE TRP 32 7.494 11.332 -1.994 204 HZ2 TRP 32 2HZ TRP 32 6.438 10.426 -6.782 205 HZ3 TRP 32 3HZ TRP 32 6.820 13.143 -3.517 206 HH2 TRP 32 HH TRP 32 6.304 12.698 -5.860 207 H GLU 33 H GLU 33 6.260 9.382 0.653 208 HA GLU 33 HA GLU 33 3.468 9.060 0.431 209 HB2 GLU 33 2HB GLU 33 5.249 11.299 1.322 210 HB3 GLU 33 1HB GLU 33 3.523 11.579 1.145 211 HG2 GLU 33 2HG GLU 33 3.152 9.621 2.671 212 HG3 GLU 33 1HG GLU 33 4.889 9.624 2.972 213 H GLY 34 H GLY 34 2.235 9.294 -1.277 214 HA2 GLY 34 2HA GLY 34 1.183 10.601 -2.953 215 HA3 GLY 34 1HA GLY 34 2.659 11.534 -3.124 216 H GLN 35 H GLN 35 2.714 8.051 -2.970 217 HA GLN 35 HA GLN 35 3.626 7.970 -5.760 218 HB2 GLN 35 2HB GLN 35 5.336 7.044 -4.480 219 HB3 GLN 35 1HB GLN 35 4.229 6.374 -3.292 220 HG2 GLN 35 2HG GLN 35 4.427 4.375 -4.246 221 HG3 GLN 35 1HG GLN 35 3.773 5.022 -5.751 222 HE21 GLN 35 1HE2 GLN 35 5.870 3.011 -5.109 223 HE22 GLN 35 2HE2 GLN 35 7.263 3.509 -5.994 224 H ASP 36 H ASP 36 2.199 7.277 -7.227 225 HA ASP 36 HA ASP 36 -0.270 6.029 -6.487 226 HB2 ASP 36 2HB ASP 36 0.987 6.427 -9.208 227 HB3 ASP 36 1HB ASP 36 -0.616 5.761 -8.957 228 H VAL 37 H VAL 37 -0.347 4.073 -5.766 229 HA VAL 37 HA VAL 37 1.472 2.029 -6.838 230 HB VAL 37 HB VAL 37 1.052 0.839 -4.679 231 HG11 VAL 37 1HG1 VAL 37 2.583 2.228 -3.364 232 HG12 VAL 37 2HG1 VAL 37 2.312 3.563 -4.484 233 HG13 VAL 37 3HG1 VAL 37 3.094 2.087 -5.046 234 HG21 VAL 37 3HG2 VAL 37 -1.083 2.229 -4.205 235 HG22 VAL 37 1HG2 VAL 37 0.027 3.424 -3.533 236 HG23 VAL 37 2HG2 VAL 37 -0.043 1.800 -2.852 237 H LEU 38 H LEU 38 0.727 -0.171 -6.734 238 HA LEU 38 HA LEU 38 -2.156 -0.450 -7.226 239 HB2 LEU 38 2HB LEU 38 0.170 -1.851 -8.527 240 HB3 LEU 38 1HB LEU 38 -1.494 -2.373 -8.711 241 HG LEU 38 HG LEU 38 -0.552 0.382 -9.486 242 HD11 LEU 38 1HD1 LEU 38 -0.862 -0.776 -11.852 243 HD12 LEU 38 2HD1 LEU 38 -0.343 -2.191 -10.936 244 HD13 LEU 38 3HD1 LEU 38 0.684 -0.759 -11.005 245 HD21 LEU 38 3HD2 LEU 38 -2.724 0.728 -9.766 246 HD22 LEU 38 1HD2 LEU 38 -3.086 -0.952 -9.378 247 HD23 LEU 38 2HD2 LEU 38 -2.708 -0.492 -11.039 248 H ALA 39 H ALA 39 -2.867 -1.127 -5.388 249 HA ALA 39 HA ALA 39 -1.445 -3.117 -3.805 250 HB1 ALA 39 3HB ALA 39 -2.677 -2.358 -2.029 251 HB2 ALA 39 1HB ALA 39 -4.097 -2.014 -3.008 252 HB3 ALA 39 2HB ALA 39 -2.718 -0.913 -3.037 253 H ARG 40 H ARG 40 -1.744 -5.140 -4.445 254 HA ARG 40 HA ARG 40 -3.974 -6.083 -5.935 255 HB2 ARG 40 2HB ARG 40 -1.411 -6.959 -5.383 256 HB3 ARG 40 1HB ARG 40 -2.408 -8.094 -4.500 257 HG2 ARG 40 2HG ARG 40 -2.449 -9.224 -6.437 258 HG3 ARG 40 1HG ARG 40 -3.687 -8.056 -6.895 259 HD2 ARG 40 2HD ARG 40 -2.287 -7.827 -8.684 260 HD3 ARG 40 1HD ARG 40 -1.555 -6.642 -7.604 261 HE ARG 40 HE ARG 40 -0.526 -9.348 -8.130 262 HH11 ARG 40 1HH1 ARG 40 0.003 -6.090 -6.926 263 HH12 ARG 40 2HH1 ARG 40 1.711 -6.311 -6.749 264 HH21 ARG 40 1HH2 ARG 40 1.713 -9.611 -7.891 265 HH22 ARG 40 2HH2 ARG 40 2.676 -8.301 -7.295 266 H TRP 41 H TRP 41 -5.891 -6.838 -5.247 267 HA TRP 41 HA TRP 41 -6.397 -7.034 -2.395 268 HB2 TRP 41 2HB TRP 41 -7.901 -5.728 -3.861 269 HB3 TRP 41 1HB TRP 41 -8.369 -7.208 -4.684 270 HD1 TRP 41 HD TRP 41 -8.106 -6.859 -0.817 271 HE1 TRP 41 1HE TRP 41 -10.445 -7.252 0.180 272 HE3 TRP 41 3HE TRP 41 -10.773 -7.198 -5.144 273 HZ2 TRP 41 2HZ TRP 41 -13.082 -7.648 -0.752 274 HZ3 TRP 41 3HZ TRP 41 -13.209 -7.581 -5.017 275 HH2 TRP 41 HH TRP 41 -14.335 -7.801 -2.860 276 H THR 42 H THR 42 -7.555 -8.817 -1.449 277 HA THR 42 HA THR 42 -6.333 -11.313 -2.027 278 HB THR 42 HB THR 42 -7.998 -12.161 -0.248 279 HG1 THR 42 1HG THR 42 -8.372 -9.342 -0.014 280 HG21 THR 42 1HG2 THR 42 -5.936 -10.028 0.291 281 HG22 THR 42 2HG2 THR 42 -5.715 -11.778 0.323 282 HG23 THR 42 3HG2 THR 42 -6.696 -10.990 1.559 283 H ASP 43 H ASP 43 -9.068 -9.953 -3.464 284 HA ASP 43 HA ASP 43 -10.439 -12.495 -3.869 285 HB2 ASP 43 2HB ASP 43 -11.226 -9.756 -3.877 286 HB3 ASP 43 1HB ASP 43 -11.590 -10.437 -5.464 287 H GLY 44 H GLY 44 -7.960 -10.780 -5.349 288 HA2 GLY 44 2HA GLY 44 -6.793 -11.895 -7.175 289 HA3 GLY 44 1HA GLY 44 -8.363 -12.266 -7.867 290 H LEU 45 H LEU 45 -9.072 -9.354 -6.977 291 HA LEU 45 HA LEU 45 -8.277 -8.143 -9.501 292 HB2 LEU 45 2HB LEU 45 -10.321 -7.471 -7.407 293 HB3 LEU 45 1HB LEU 45 -9.893 -6.322 -8.668 294 HG LEU 45 HG LEU 45 -10.561 -8.991 -9.681 295 HD11 LEU 45 1HD1 LEU 45 -12.120 -8.969 -7.839 296 HD12 LEU 45 2HD1 LEU 45 -12.982 -8.699 -9.354 297 HD13 LEU 45 3HD1 LEU 45 -12.654 -7.345 -8.272 298 HD21 LEU 45 3HD2 LEU 45 -11.804 -7.694 -11.293 299 HD22 LEU 45 1HD2 LEU 45 -10.202 -6.990 -11.070 300 HD23 LEU 45 2HD2 LEU 45 -11.608 -6.238 -10.315 301 H LEU 46 H LEU 46 -7.379 -6.067 -9.661 302 HA LEU 46 HA LEU 46 -5.463 -5.421 -7.578 303 HB2 LEU 46 2HB LEU 46 -4.897 -5.544 -10.039 304 HB3 LEU 46 1HB LEU 46 -5.917 -4.139 -10.277 305 HG LEU 46 HG LEU 46 -4.358 -2.841 -8.824 306 HD11 LEU 46 1HD1 LEU 46 -2.782 -3.860 -7.632 307 HD12 LEU 46 2HD1 LEU 46 -2.062 -4.492 -9.116 308 HD13 LEU 46 3HD1 LEU 46 -3.303 -5.416 -8.275 309 HD21 LEU 46 3HD2 LEU 46 -3.933 -2.357 -10.975 310 HD22 LEU 46 1HD2 LEU 46 -3.791 -4.043 -11.444 311 HD23 LEU 46 2HD2 LEU 46 -2.438 -3.228 -10.659 312 H TYR 47 H TYR 47 -5.102 -3.106 -7.008 313 HA TYR 47 HA TYR 47 -7.512 -1.433 -6.971 314 HB2 TYR 47 2HB TYR 47 -6.007 -2.450 -4.559 315 HB3 TYR 47 1HB TYR 47 -6.832 -0.904 -4.503 316 HD1 TYR 47 1HD TYR 47 -8.977 -2.839 -6.467 317 HD2 TYR 47 2HD TYR 47 -7.584 -2.524 -2.460 318 HE1 TYR 47 1HE TYR 47 -11.028 -3.918 -5.680 319 HE2 TYR 47 2HE TYR 47 -9.633 -3.615 -1.665 320 HH TYR 47 HH TYR 47 -12.262 -3.756 -2.975 321 H LEU 48 H LEU 48 -7.010 0.651 -7.416 322 HA LEU 48 HA LEU 48 -4.182 1.386 -7.523 323 HB2 LEU 48 2HB LEU 48 -5.487 1.799 -9.529 324 HB3 LEU 48 1HB LEU 48 -6.642 2.754 -8.628 325 HG LEU 48 HG LEU 48 -4.685 4.358 -8.156 326 HD11 LEU 48 1HD1 LEU 48 -3.495 2.844 -10.478 327 HD12 LEU 48 2HD1 LEU 48 -2.868 2.876 -8.831 328 HD13 LEU 48 3HD1 LEU 48 -2.881 4.351 -9.798 329 HD21 LEU 48 3HD2 LEU 48 -4.903 5.335 -10.504 330 HD22 LEU 48 1HD2 LEU 48 -6.384 5.112 -9.573 331 HD23 LEU 48 2HD2 LEU 48 -5.960 3.965 -10.843 332 H GLY 49 H GLY 49 -3.265 3.010 -6.379 333 HA2 GLY 49 2HA GLY 49 -4.829 4.791 -4.727 334 HA3 GLY 49 1HA GLY 49 -3.991 3.555 -3.818 335 H THR 50 H THR 50 -3.355 5.923 -3.074 336 HA THR 50 HA THR 50 -0.684 6.405 -4.215 337 HB THR 50 HB THR 50 -1.724 8.777 -2.906 338 HG1 THR 50 1HG THR 50 -3.158 7.762 -5.149 339 HG21 THR 50 1HG2 THR 50 -0.814 9.873 -4.830 340 HG22 THR 50 2HG2 THR 50 -0.838 8.378 -5.765 341 HG23 THR 50 3HG2 THR 50 0.279 8.554 -4.413 342 H ILE 51 H ILE 51 0.938 6.739 -2.739 343 HA ILE 51 HA ILE 51 0.523 5.538 -0.195 344 HB ILE 51 HB ILE 51 2.994 6.854 -1.325 345 HG12 ILE 51 2HG1 ILE 51 2.130 4.924 -2.617 346 HG13 ILE 51 1HG1 ILE 51 3.701 4.595 -1.906 347 HG21 ILE 51 1HG2 ILE 51 4.273 6.121 0.439 348 HG22 ILE 51 2HG2 ILE 51 3.168 4.805 0.838 349 HG23 ILE 51 3HG2 ILE 51 2.763 6.460 1.287 350 HD11 ILE 51 3HD1 ILE 51 1.204 3.207 -1.581 351 HD12 ILE 51 1HD1 ILE 51 1.864 3.689 -0.022 352 HD13 ILE 51 2HD1 ILE 51 2.824 2.709 -1.123 353 H LYS 52 H LYS 52 -0.215 6.390 1.528 354 HA LYS 52 HA LYS 52 0.002 9.259 2.033 355 HB2 LYS 52 2HB LYS 52 -2.076 7.484 2.374 356 HB3 LYS 52 1HB LYS 52 -1.422 7.605 3.999 357 HG2 LYS 52 2HG LYS 52 -2.935 9.304 4.069 358 HG3 LYS 52 1HG LYS 52 -1.521 10.181 3.497 359 HD2 LYS 52 2HD LYS 52 -2.770 9.189 1.187 360 HD3 LYS 52 1HD LYS 52 -4.074 9.795 2.206 361 HE2 LYS 52 2HE LYS 52 -1.596 11.390 1.580 362 HE3 LYS 52 1HE LYS 52 -3.051 11.446 0.589 363 HZ1 LYS 52 3HZ LYS 52 -2.975 12.092 3.487 364 HZ2 LYS 52 1HZ LYS 52 -4.297 12.268 2.446 365 HZ3 LYS 52 2HZ LYS 52 -2.929 13.243 2.249 366 H LYS 53 H LYS 53 1.078 6.143 3.234 367 HA LYS 53 HA LYS 53 3.001 7.468 4.992 368 HB2 LYS 53 2HB LYS 53 0.694 6.310 6.022 369 HB3 LYS 53 1HB LYS 53 1.909 5.058 6.221 370 HG2 LYS 53 2HG LYS 53 2.993 6.182 7.851 371 HG3 LYS 53 1HG LYS 53 2.732 7.751 7.092 372 HD2 LYS 53 2HD LYS 53 1.529 7.734 9.154 373 HD3 LYS 53 1HD LYS 53 0.347 7.639 7.850 374 HE2 LYS 53 2HE LYS 53 -0.404 6.061 9.400 375 HE3 LYS 53 1HE LYS 53 0.462 5.099 8.198 376 HZ1 LYS 53 3HZ LYS 53 1.680 6.038 10.739 377 HZ2 LYS 53 1HZ LYS 53 2.325 4.923 9.642 378 HZ3 LYS 53 2HZ LYS 53 0.958 4.520 10.554 379 H VAL 54 H VAL 54 4.724 5.968 5.703 380 HA VAL 54 HA VAL 54 5.072 3.622 3.981 381 HB VAL 54 HB VAL 54 7.084 5.880 4.217 382 HG11 VAL 54 1HG1 VAL 54 7.960 3.398 4.301 383 HG12 VAL 54 2HG1 VAL 54 8.763 4.604 3.294 384 HG13 VAL 54 3HG1 VAL 54 7.638 3.458 2.570 385 HG21 VAL 54 3HG2 VAL 54 6.928 5.464 1.608 386 HG22 VAL 54 1HG2 VAL 54 5.774 6.503 2.443 387 HG23 VAL 54 2HG2 VAL 54 5.338 4.843 2.043 388 H ASP 55 H ASP 55 6.004 1.941 4.917 389 HA ASP 55 HA ASP 55 7.249 2.259 7.564 390 HB2 ASP 55 2HB ASP 55 5.083 0.419 6.652 391 HB3 ASP 55 1HB ASP 55 6.298 -0.257 7.739 392 H SER 56 H SER 56 9.294 2.346 6.561 393 HA SER 56 HA SER 56 10.242 0.280 4.814 394 HB2 SER 56 2HB SER 56 12.466 1.441 5.153 395 HB3 SER 56 1HB SER 56 11.170 2.456 4.521 396 HG SER 56 HG SER 56 10.871 2.867 6.957 397 H ALA 57 H ALA 57 9.747 0.271 8.105 398 HA ALA 57 HA ALA 57 12.083 -1.316 8.814 399 HB1 ALA 57 3HB ALA 57 11.025 0.444 10.312 400 HB2 ALA 57 1HB ALA 57 11.399 -1.112 11.051 401 HB3 ALA 57 2HB ALA 57 9.740 -0.729 10.598 402 H ARG 58 H ARG 58 8.606 -1.746 8.356 403 HA ARG 58 HA ARG 58 8.914 -4.644 8.770 404 HB2 ARG 58 2HB ARG 58 6.547 -2.800 9.018 405 HB3 ARG 58 1HB ARG 58 6.340 -4.539 8.874 406 HG2 ARG 58 2HG ARG 58 8.272 -3.752 10.922 407 HG3 ARG 58 1HG ARG 58 6.631 -3.174 11.222 408 HD2 ARG 58 2HD ARG 58 5.788 -5.460 10.954 409 HD3 ARG 58 1HD ARG 58 7.431 -6.030 10.669 410 HE ARG 58 HE ARG 58 7.664 -4.842 13.061 411 HH11 ARG 58 1HH1 ARG 58 5.324 -7.189 11.896 412 HH12 ARG 58 2HH1 ARG 58 5.072 -7.884 13.463 413 HH21 ARG 58 1HH2 ARG 58 7.318 -5.769 15.100 414 HH22 ARG 58 2HH2 ARG 58 6.199 -7.080 15.273 415 H GLU 59 H GLU 59 9.129 -2.626 6.278 416 HA GLU 59 HA GLU 59 8.856 -2.701 4.021 417 HB2 GLU 59 2HB GLU 59 8.571 -5.635 4.665 418 HB3 GLU 59 1HB GLU 59 8.489 -5.040 3.014 419 HG2 GLU 59 2HG GLU 59 10.809 -4.084 4.528 420 HG3 GLU 59 1HG GLU 59 10.766 -5.831 4.272 421 H VAL 60 H VAL 60 6.729 -1.741 5.326 422 HA VAL 60 HA VAL 60 4.460 -2.599 3.659 423 HB VAL 60 HB VAL 60 3.962 -1.582 6.442 424 HG11 VAL 60 1HG1 VAL 60 1.938 -1.666 5.412 425 HG12 VAL 60 2HG1 VAL 60 2.004 -3.314 6.038 426 HG13 VAL 60 3HG1 VAL 60 2.406 -2.994 4.353 427 HG21 VAL 60 3HG2 VAL 60 5.148 -3.366 7.226 428 HG22 VAL 60 1HG2 VAL 60 4.920 -4.304 5.749 429 HG23 VAL 60 2HG2 VAL 60 3.611 -4.175 6.924 430 H CYS 61 H CYS 61 2.770 -0.860 3.486 431 HA CYS 61 HA CYS 61 3.547 1.866 4.105 432 HB2 CYS 61 2HB CYS 61 3.624 0.793 1.313 433 HB3 CYS 61 1HB CYS 61 3.036 2.433 1.578 434 HG CYS 61 HG CYS 61 5.448 3.273 1.197 435 H LEU 62 H LEU 62 1.845 3.262 4.146 436 HA LEU 62 HA LEU 62 -0.804 2.060 3.821 437 HB2 LEU 62 2HB LEU 62 0.199 3.629 5.839 438 HB3 LEU 62 1HB LEU 62 -0.633 4.805 4.851 439 HG LEU 62 HG LEU 62 -2.237 4.231 6.431 440 HD11 LEU 62 1HD1 LEU 62 -3.066 2.131 4.482 441 HD12 LEU 62 2HD1 LEU 62 -2.924 3.800 3.933 442 HD13 LEU 62 3HD1 LEU 62 -4.021 3.397 5.254 443 HD21 LEU 62 3HD2 LEU 62 -1.250 2.482 7.612 444 HD22 LEU 62 1HD2 LEU 62 -1.196 1.433 6.195 445 HD23 LEU 62 2HD2 LEU 62 -2.740 1.794 6.968 446 H VAL 63 H VAL 63 -2.202 2.727 2.310 447 HA VAL 63 HA VAL 63 -1.507 5.076 0.714 448 HB VAL 63 HB VAL 63 -0.890 3.879 -1.062 449 HG11 VAL 63 1HG1 VAL 63 -1.132 1.294 -1.003 450 HG12 VAL 63 2HG1 VAL 63 -1.521 1.571 0.692 451 HG13 VAL 63 3HG1 VAL 63 0.030 2.104 0.046 452 HG21 VAL 63 3HG2 VAL 63 -2.443 2.628 -2.389 453 HG22 VAL 63 1HG2 VAL 63 -3.239 4.060 -1.737 454 HG23 VAL 63 2HG2 VAL 63 -3.543 2.477 -1.021 455 H GLN 64 H GLN 64 -3.156 6.184 -0.178 456 HA GLN 64 HA GLN 64 -5.838 5.548 0.800 457 HB2 GLN 64 2HB GLN 64 -4.673 7.880 1.017 458 HB3 GLN 64 1HB GLN 64 -5.092 8.073 -0.677 459 HG2 GLN 64 2HG GLN 64 -7.173 8.663 -0.149 460 HG3 GLN 64 1HG GLN 64 -7.395 7.194 0.803 461 HE21 GLN 64 1HE2 GLN 64 -7.971 7.575 2.802 462 HE22 GLN 64 2HE2 GLN 64 -7.498 8.927 3.769 463 H PHE 65 H PHE 65 -7.481 5.033 -0.606 464 HA PHE 65 HA PHE 65 -6.645 4.532 -3.355 465 HB2 PHE 65 2HB PHE 65 -8.754 3.261 -1.621 466 HB3 PHE 65 1HB PHE 65 -8.532 2.880 -3.331 467 HD1 PHE 65 2HD PHE 65 -6.889 2.767 -0.012 468 HD2 PHE 65 1HD PHE 65 -6.799 1.487 -4.051 469 HE1 PHE 65 2HE PHE 65 -5.098 1.170 0.541 470 HE2 PHE 65 1HE PHE 65 -5.010 -0.103 -3.515 471 HZ PHE 65 HZ PHE 65 -4.175 -0.274 -1.221 472 H GLU 66 H GLU 66 -8.495 4.434 -4.977 473 HA GLU 66 HA GLU 66 -9.354 7.021 -5.527 474 HB2 GLU 66 2HB GLU 66 -9.172 4.739 -6.942 475 HB3 GLU 66 1HB GLU 66 -10.917 4.844 -6.745 476 HG2 GLU 66 2HG GLU 66 -10.584 5.977 -8.716 477 HG3 GLU 66 1HG GLU 66 -10.615 7.288 -7.539 478 H ASP 67 H ASP 67 -11.233 4.311 -4.127 479 HA ASP 67 HA ASP 67 -13.546 6.076 -3.909 480 HB2 ASP 67 2HB ASP 67 -13.745 3.728 -4.748 481 HB3 ASP 67 1HB ASP 67 -13.344 3.158 -3.140 482 H ASP 68 H ASP 68 -11.271 6.772 -2.362 483 HA ASP 68 HA ASP 68 -10.619 7.481 -0.319 484 HB2 ASP 68 2HB ASP 68 -13.580 7.672 -0.243 485 HB3 ASP 68 1HB ASP 68 -12.732 7.864 1.288 486 H SER 69 H SER 69 -9.861 5.049 -0.322 487 HA SER 69 HA SER 69 -10.761 3.885 2.232 488 HB2 SER 69 2HB SER 69 -10.906 2.657 -0.240 489 HB3 SER 69 1HB SER 69 -9.415 1.989 0.437 490 HG SER 69 HG SER 69 -11.132 1.936 2.390 491 H GLN 70 H GLN 70 -9.286 3.778 3.780 492 HA GLN 70 HA GLN 70 -6.458 4.116 3.075 493 HB2 GLN 70 2HB GLN 70 -8.102 4.777 5.444 494 HB3 GLN 70 1HB GLN 70 -6.508 4.133 5.810 495 HG2 GLN 70 2HG GLN 70 -6.817 6.372 3.851 496 HG3 GLN 70 1HG GLN 70 -6.830 6.684 5.585 497 HE21 GLN 70 1HE2 GLN 70 -4.921 6.528 2.913 498 HE22 GLN 70 2HE2 GLN 70 -3.380 6.308 3.674 499 H PHE 71 H PHE 71 -5.886 2.153 2.386 500 HA PHE 71 HA PHE 71 -6.257 -0.124 4.218 501 HB2 PHE 71 2HB PHE 71 -6.784 0.244 1.372 502 HB3 PHE 71 1HB PHE 71 -5.794 -1.174 1.674 503 HD1 PHE 71 1HD PHE 71 -8.218 -0.309 4.292 504 HD2 PHE 71 2HD PHE 71 -7.657 -2.399 0.626 505 HE1 PHE 71 1HE PHE 71 -10.257 -1.604 4.722 506 HE2 PHE 71 2HE PHE 71 -9.696 -3.702 1.058 507 HZ PHE 71 HZ PHE 71 -11.000 -3.304 3.106 508 H LEU 72 H LEU 72 -4.502 -0.964 5.049 509 HA LEU 72 HA LEU 72 -1.905 -0.075 4.269 510 HB2 LEU 72 2HB LEU 72 -1.043 -1.358 6.120 511 HB3 LEU 72 1HB LEU 72 -2.438 -0.433 6.622 512 HG LEU 72 HG LEU 72 -2.799 -2.386 7.758 513 HD11 LEU 72 1HD1 LEU 72 -4.115 -2.892 5.109 514 HD12 LEU 72 2HD1 LEU 72 -4.806 -2.119 6.535 515 HD13 LEU 72 3HD1 LEU 72 -4.427 -3.841 6.561 516 HD21 LEU 72 3HD2 LEU 72 -0.852 -3.563 6.992 517 HD22 LEU 72 1HD2 LEU 72 -1.626 -3.911 5.446 518 HD23 LEU 72 2HD2 LEU 72 -2.250 -4.635 6.927 519 H VAL 73 H VAL 73 -0.600 -0.907 2.811 520 HA VAL 73 HA VAL 73 -1.029 -3.715 1.982 521 HB VAL 73 HB VAL 73 0.199 -1.884 0.001 522 HG11 VAL 73 1HG1 VAL 73 -1.966 -3.899 -0.469 523 HG12 VAL 73 2HG1 VAL 73 -0.289 -4.387 -0.233 524 HG13 VAL 73 3HG1 VAL 73 -0.716 -3.330 -1.575 525 HG21 VAL 73 3HG2 VAL 73 -1.826 -0.675 1.036 526 HG22 VAL 73 1HG2 VAL 73 -2.795 -1.895 0.211 527 HG23 VAL 73 2HG2 VAL 73 -1.750 -0.820 -0.718 528 H LEU 74 H LEU 74 0.701 -4.937 1.343 529 HA LEU 74 HA LEU 74 3.233 -4.267 2.599 530 HB2 LEU 74 2HB LEU 74 2.341 -6.784 1.172 531 HB3 LEU 74 1HB LEU 74 3.856 -6.596 2.022 532 HG LEU 74 HG LEU 74 2.539 -7.856 3.475 533 HD11 LEU 74 1HD1 LEU 74 3.511 -5.650 4.434 534 HD12 LEU 74 2HD1 LEU 74 2.430 -6.642 5.412 535 HD13 LEU 74 3HD1 LEU 74 1.815 -5.200 4.606 536 HD21 LEU 74 3HD2 LEU 74 0.417 -7.702 2.377 537 HD22 LEU 74 1HD2 LEU 74 0.238 -6.014 2.858 538 HD23 LEU 74 2HD2 LEU 74 0.204 -7.288 4.078 539 H TRP 75 H TRP 75 5.210 -4.156 1.522 540 HA TRP 75 HA TRP 75 5.250 -2.956 -1.013 541 HB2 TRP 75 2HB TRP 75 7.476 -4.277 0.539 542 HB3 TRP 75 1HB TRP 75 7.735 -3.376 -0.942 543 HD1 TRP 75 HD TRP 75 5.214 -1.907 1.511 544 HE1 TRP 75 1HE TRP 75 6.220 0.187 2.595 545 HE3 TRP 75 3HE TRP 75 10.052 -2.338 -0.153 546 HZ2 TRP 75 2HZ TRP 75 8.712 1.479 2.756 547 HZ3 TRP 75 3HZ TRP 75 11.677 -0.621 0.529 548 HH2 TRP 75 HH TRP 75 11.016 1.249 1.956 549 H LYS 76 H LYS 76 4.956 -6.255 -0.234 550 HA LYS 76 HA LYS 76 6.075 -7.248 -2.731 551 HB2 LYS 76 2HB LYS 76 5.149 -9.482 -1.858 552 HB3 LYS 76 1HB LYS 76 6.481 -8.752 -0.980 553 HG2 LYS 76 2HG LYS 76 5.112 -8.144 0.821 554 HG3 LYS 76 1HG LYS 76 3.633 -8.351 -0.118 555 HD2 LYS 76 2HD LYS 76 4.049 -10.773 -0.210 556 HD3 LYS 76 1HD LYS 76 5.507 -10.549 0.760 557 HE2 LYS 76 2HE LYS 76 3.943 -9.434 2.471 558 HE3 LYS 76 1HE LYS 76 2.637 -10.192 1.560 559 HZ1 LYS 76 3HZ LYS 76 4.900 -11.846 2.429 560 HZ2 LYS 76 1HZ LYS 76 3.280 -12.277 2.193 561 HZ3 LYS 76 2HZ LYS 76 3.732 -11.406 3.571 562 H ASP 77 H ASP 77 2.940 -6.547 -1.341 563 HA ASP 77 HA ASP 77 1.491 -7.682 -3.605 564 HB2 ASP 77 2HB ASP 77 0.818 -6.802 -0.878 565 HB3 ASP 77 1HB ASP 77 -0.400 -6.428 -2.089 566 H ILE 78 H ILE 78 3.173 -4.958 -3.229 567 HA ILE 78 HA ILE 78 1.205 -3.188 -4.497 568 HB ILE 78 HB ILE 78 3.783 -2.557 -3.052 569 HG12 ILE 78 2HG1 ILE 78 1.008 -1.555 -2.424 570 HG13 ILE 78 1HG1 ILE 78 1.567 -3.118 -1.842 571 HG21 ILE 78 1HG2 ILE 78 3.927 -0.767 -4.427 572 HG22 ILE 78 2HG2 ILE 78 2.600 -0.132 -3.455 573 HG23 ILE 78 3HG2 ILE 78 2.264 -0.945 -4.985 574 HD11 ILE 78 3HD1 ILE 78 2.508 -2.142 -0.122 575 HD12 ILE 78 1HD1 ILE 78 1.967 -0.570 -0.713 576 HD13 ILE 78 2HD1 ILE 78 3.538 -1.202 -1.203 577 H SER 79 H SER 79 1.525 -2.275 -6.444 578 HA SER 79 HA SER 79 3.979 -2.880 -7.944 579 HB2 SER 79 2HB SER 79 1.490 -4.060 -8.455 580 HB3 SER 79 1HB SER 79 1.622 -2.778 -9.662 581 HG SER 79 HG SER 79 2.551 -4.838 -10.284 582 HA PRO 80 HA PRO 80 3.630 1.712 -8.002 583 HB2 PRO 80 2HB PRO 80 5.962 1.253 -9.819 584 HB3 PRO 80 1HB PRO 80 5.763 2.440 -8.524 585 HG2 PRO 80 2HG PRO 80 7.238 0.293 -8.102 586 HG3 PRO 80 1HG PRO 80 6.113 0.856 -6.846 587 HD2 PRO 80 2HD PRO 80 5.838 -1.444 -8.747 588 HD3 PRO 80 1HD PRO 80 5.371 -1.330 -7.037 589 H ALA 81 H ALA 81 2.193 2.688 -9.213 590 HA ALA 81 HA ALA 81 1.436 1.768 -11.822 591 HB1 ALA 81 3HB ALA 81 -0.227 3.600 -11.694 592 HB2 ALA 81 1HB ALA 81 0.509 4.116 -10.178 593 HB3 ALA 81 2HB ALA 81 -0.251 2.531 -10.294 594 H ALA 82 H ALA 82 4.168 3.125 -11.365 595 HA ALA 82 HA ALA 82 4.006 5.499 -13.019 596 HB1 ALA 82 3HB ALA 82 6.297 4.127 -11.635 597 HB2 ALA 82 1HB ALA 82 5.527 5.657 -11.214 598 HB3 ALA 82 2HB ALA 82 6.504 5.535 -12.677 599 H LEU 83 H LEU 83 5.292 2.203 -13.274 600 HA LEU 83 HA LEU 83 6.018 2.679 -16.075 601 HB2 LEU 83 2HB LEU 83 7.429 1.430 -14.167 602 HB3 LEU 83 1HB LEU 83 6.533 0.058 -14.786 603 HG LEU 83 HG LEU 83 7.492 1.264 -17.083 604 HD11 LEU 83 1HD1 LEU 83 8.911 2.718 -15.673 605 HD12 LEU 83 2HD1 LEU 83 9.841 1.656 -16.731 606 HD13 LEU 83 3HD1 LEU 83 9.684 1.277 -15.014 607 HD21 LEU 83 3HD2 LEU 83 9.102 -0.660 -17.065 608 HD22 LEU 83 1HD2 LEU 83 7.414 -1.095 -16.794 609 HD23 LEU 83 2HD2 LEU 83 8.536 -1.029 -15.436 610 HA ALA 331 HA ALA 331 -22.114 -3.269 -8.251 611 HB1 ALA 331 3HB ALA 331 -22.137 -5.699 -8.466 612 HB2 ALA 331 1HB ALA 331 -20.601 -5.134 -7.810 613 HB3 ALA 331 2HB ALA 331 -20.710 -5.628 -9.501 614 H THR 332 H THR 332 -20.176 -3.702 -11.194 615 HA THR 332 HA THR 332 -18.285 -1.684 -10.168 616 HB THR 332 HB THR 332 -16.600 -2.838 -11.748 617 HG1 THR 332 1HG THR 332 -17.024 -4.942 -12.264 618 HG21 THR 332 1HG2 THR 332 -17.506 -4.169 -9.193 619 HG22 THR 332 2HG2 THR 332 -16.333 -2.862 -9.342 620 HG23 THR 332 3HG2 THR 332 -15.958 -4.460 -9.987 621 H GLY 333 H GLY 333 -18.245 0.111 -11.307 622 HA2 GLY 333 2HA GLY 333 -17.976 0.343 -14.065 623 HA3 GLY 333 1HA GLY 333 -19.695 0.460 -13.721 624 H GLY 334 H GLY 334 -16.907 1.651 -11.870 625 HA2 GLY 334 2HA GLY 334 -16.671 4.240 -12.550 626 HA3 GLY 334 1HA GLY 334 -18.156 4.257 -11.613 627 H VAL 335 H VAL 335 -15.529 2.066 -10.887 628 HA VAL 335 HA VAL 335 -14.670 3.746 -8.647 629 HB VAL 335 HB VAL 335 -16.420 2.057 -7.904 630 HG11 VAL 335 1HG1 VAL 335 -14.214 0.027 -8.180 631 HG12 VAL 335 2HG1 VAL 335 -15.562 0.173 -9.307 632 HG13 VAL 335 3HG1 VAL 335 -15.866 -0.237 -7.618 633 HG21 VAL 335 3HG2 VAL 335 -15.468 2.680 -5.984 634 HG22 VAL 335 1HG2 VAL 335 -13.857 2.686 -6.701 635 HG23 VAL 335 2HG2 VAL 335 -14.539 1.184 -6.079 636 H M3L 336 H M3L 336 -12.539 3.531 -8.038 637 HA M3L 336 HA M3L 336 -10.297 3.319 -8.396 638 HB2 M3L 336 1HB M3L 336 -9.399 1.125 -8.358 639 HB3 M3L 336 2HB M3L 336 -10.807 0.445 -9.157 640 HG2 M3L 336 1HG M3L 336 -11.284 -0.224 -7.050 641 HG3 M3L 336 2HG M3L 336 -11.993 1.387 -6.968 642 HD2 M3L 336 1HD M3L 336 -9.496 2.009 -6.256 643 HD3 M3L 336 2HD M3L 336 -9.533 0.334 -5.708 644 HE2 M3L 336 1HE M3L 336 -11.925 1.866 -4.957 645 HE3 M3L 336 2HE M3L 336 -10.451 2.526 -4.288 646 HM11 M3L 336 1HM1 M3L 336 -8.827 0.388 -3.777 647 HM12 M3L 336 2HM1 M3L 336 -9.524 -0.766 -2.704 648 HM13 M3L 336 3HM1 M3L 336 -9.306 0.868 -2.190 649 HM21 M3L 336 1HM2 M3L 336 -12.562 -0.401 -4.573 650 HM22 M3L 336 2HM2 M3L 336 -11.995 -1.251 -3.180 651 HM23 M3L 336 3HM2 M3L 336 -11.059 -1.256 -4.631 652 HM31 M3L 336 3HM3 M3L 336 -11.509 2.232 -2.279 653 HM32 M3L 336 1HM3 M3L 336 -11.427 0.712 -1.458 654 HM33 M3L 336 2HM3 M3L 336 -12.761 1.063 -2.494 655 H LYS 337 H LYS 337 -8.521 3.061 -9.888 656 HA LYS 337 HA LYS 337 -9.255 2.642 -12.701 657 HB2 LYS 337 2HB LYS 337 -7.886 5.094 -11.582 658 HB3 LYS 337 1HB LYS 337 -7.809 4.662 -13.281 659 HG2 LYS 337 2HG LYS 337 -9.653 5.892 -13.538 660 HG3 LYS 337 1HG LYS 337 -10.513 4.579 -12.740 661 HD2 LYS 337 2HD LYS 337 -11.179 6.318 -11.409 662 HD3 LYS 337 1HD LYS 337 -9.706 5.857 -10.551 663 HE2 LYS 337 2HE LYS 337 -9.622 7.931 -12.722 664 HE3 LYS 337 1HE LYS 337 -10.130 8.358 -11.088 665 HZ1 LYS 337 3HZ LYS 337 -7.846 8.745 -11.123 666 HZ2 LYS 337 1HZ LYS 337 -7.507 7.320 -11.971 667 HZ3 LYS 337 2HZ LYS 337 -7.989 7.247 -10.352 668 HA PRO 338 HA PRO 338 -4.977 0.916 -11.437 669 HB2 PRO 338 2HB PRO 338 -6.115 -1.760 -11.179 670 HB3 PRO 338 1HB PRO 338 -5.207 -0.821 -9.991 671 HG2 PRO 338 2HG PRO 338 -7.812 -1.350 -9.661 672 HG3 PRO 338 1HG PRO 338 -7.085 0.192 -9.156 673 HD2 PRO 338 2HD PRO 338 -8.572 -0.426 -11.708 674 HD3 PRO 338 1HD PRO 338 -8.862 0.896 -10.551 675 H HIS 339 H HIS 339 -4.038 -1.348 -12.263 676 HA HIS 339 HA HIS 339 -3.951 -1.177 -15.101 677 HB2 HIS 339 2HB HIS 339 -1.881 -1.870 -14.527 678 HB3 HIS 339 1HB HIS 339 -2.436 -2.286 -12.915 679 HD1 HIS 339 1HD HIS 339 -2.647 -3.987 -16.327 680 HD2 HIS 339 2HD HIS 339 -1.864 -4.775 -12.325 681 HE1 HIS 339 1HE HIS 339 -2.105 -6.433 -16.222 682 HE2 HIS 339 2HE HIS 339 -1.519 -6.871 -13.813 683 H ARG 340 H ARG 340 -5.126 -2.202 -16.552 684 HA ARG 340 HA ARG 340 -6.461 -3.648 -17.652 685 HB2 ARG 340 2HB ARG 340 -5.192 -5.429 -15.682 686 HB3 ARG 340 1HB ARG 340 -6.704 -6.019 -16.358 687 HG2 ARG 340 2HG ARG 340 -4.790 -4.936 -18.316 688 HG3 ARG 340 1HG ARG 340 -4.288 -6.404 -17.487 689 HD2 ARG 340 2HD ARG 340 -6.063 -7.644 -18.325 690 HD3 ARG 340 1HD ARG 340 -7.029 -6.208 -18.664 691 HE ARG 340 HE ARG 340 -4.742 -7.148 -20.262 692 HH11 ARG 340 1HH1 ARG 340 -7.653 -5.200 -19.995 693 HH12 ARG 340 2HH1 ARG 340 -7.667 -4.787 -21.677 694 HH21 ARG 340 1HH2 ARG 340 -4.784 -6.594 -22.458 695 HH22 ARG 340 2HH2 ARG 340 -6.046 -5.578 -23.068 696 H TYR 341 H TYR 341 -7.113 -4.119 -14.162 697 HA TYR 341 HA TYR 341 -9.958 -3.600 -14.728 698 HB2 TYR 341 2HB TYR 341 -8.681 -5.811 -13.200 699 HB3 TYR 341 1HB TYR 341 -10.172 -5.141 -12.549 700 HD1 TYR 341 1HD TYR 341 -8.673 -6.951 -15.379 701 HD2 TYR 341 2HD TYR 341 -12.281 -5.498 -13.653 702 HE1 TYR 341 1HE TYR 341 -9.972 -8.341 -16.938 703 HE2 TYR 341 2HE TYR 341 -13.590 -6.884 -15.207 704 HH TYR 341 HH TYR 341 -12.321 -8.283 -17.938 Start of MODEL 18 1 HA SER 5 HA SER 5 -14.134 0.052 11.610 2 HB2 SER 5 2HB SER 5 -13.538 -2.485 10.161 3 HB3 SER 5 1HB SER 5 -14.562 -1.301 9.347 4 HG SER 5 HG SER 5 -12.244 -0.348 10.552 5 H ARG 6 H ARG 6 -16.125 0.798 11.164 6 HA ARG 6 HA ARG 6 -18.386 -1.084 11.277 7 HB2 ARG 6 2HB ARG 6 -17.819 0.650 13.294 8 HB3 ARG 6 1HB ARG 6 -18.877 1.643 12.303 9 HG2 ARG 6 2HG ARG 6 -20.490 0.684 13.550 10 HG3 ARG 6 1HG ARG 6 -20.318 -0.634 12.390 11 HD2 ARG 6 2HD ARG 6 -20.203 -1.729 14.433 12 HD3 ARG 6 1HD ARG 6 -18.505 -1.510 14.014 13 HE ARG 6 HE ARG 6 -19.433 0.669 15.567 14 HH11 ARG 6 1HH1 ARG 6 -18.486 -2.697 15.901 15 HH12 ARG 6 2HH1 ARG 6 -18.004 -2.516 17.555 16 HH21 ARG 6 1HH2 ARG 6 -18.796 0.882 17.732 17 HH22 ARG 6 2HH2 ARG 6 -18.182 -0.492 18.589 18 H LEU 7 H LEU 7 -17.245 2.104 10.215 19 HA LEU 7 HA LEU 7 -19.293 2.080 8.097 20 HB2 LEU 7 2HB LEU 7 -18.758 4.038 10.002 21 HB3 LEU 7 1HB LEU 7 -18.000 4.646 8.545 22 HG LEU 7 HG LEU 7 -20.415 3.952 7.548 23 HD11 LEU 7 1HD1 LEU 7 -21.146 3.278 9.857 24 HD12 LEU 7 2HD1 LEU 7 -22.169 4.473 9.060 25 HD13 LEU 7 3HD1 LEU 7 -21.031 4.979 10.309 26 HD21 LEU 7 3HD2 LEU 7 -19.515 6.511 8.840 27 HD22 LEU 7 1HD2 LEU 7 -21.019 6.378 7.929 28 HD23 LEU 7 2HD2 LEU 7 -19.476 6.073 7.132 29 H SER 8 H SER 8 -18.695 2.828 6.009 30 HA SER 8 HA SER 8 -15.915 2.226 5.339 31 HB2 SER 8 2HB SER 8 -18.164 1.345 4.181 32 HB3 SER 8 1HB SER 8 -17.910 2.792 3.207 33 HG SER 8 HG SER 8 -15.702 1.157 3.647 34 H ARG 9 H ARG 9 -17.765 4.947 5.953 35 HA ARG 9 HA ARG 9 -16.428 6.683 4.031 36 HB2 ARG 9 2HB ARG 9 -18.937 6.767 4.938 37 HB3 ARG 9 1HB ARG 9 -18.194 7.764 6.178 38 HG2 ARG 9 2HG ARG 9 -17.509 8.478 3.398 39 HG3 ARG 9 1HG ARG 9 -19.190 8.732 3.872 40 HD2 ARG 9 2HD ARG 9 -18.565 10.168 5.649 41 HD3 ARG 9 1HD ARG 9 -16.867 9.720 5.506 42 HE ARG 9 HE ARG 9 -16.723 11.022 3.526 43 HH11 ARG 9 1HH1 ARG 9 -19.824 11.362 5.141 44 HH12 ARG 9 2HH1 ARG 9 -20.212 12.842 4.330 45 HH21 ARG 9 1HH2 ARG 9 -17.253 12.961 2.478 46 HH22 ARG 9 2HH2 ARG 9 -18.758 13.745 2.823 47 H SER 10 H SER 10 -14.793 8.030 4.487 48 HA SER 10 HA SER 10 -13.869 8.209 7.282 49 HB2 SER 10 2HB SER 10 -12.144 8.194 4.793 50 HB3 SER 10 1HB SER 10 -11.573 8.266 6.460 51 HG SER 10 HG SER 10 -11.691 6.128 5.266 52 H GLY 11 H GLY 11 -13.009 10.167 7.989 53 HA2 GLY 11 2HA GLY 11 -13.857 12.495 6.409 54 HA3 GLY 11 1HA GLY 11 -13.576 12.480 8.143 55 H ALA 12 H ALA 12 -11.773 13.404 8.819 56 HA ALA 12 HA ALA 12 -9.557 13.750 6.908 57 HB1 ALA 12 3HB ALA 12 -8.956 15.766 8.104 58 HB2 ALA 12 1HB ALA 12 -10.228 15.473 9.291 59 HB3 ALA 12 2HB ALA 12 -10.651 15.843 7.620 60 H SER 13 H SER 13 -7.752 12.688 7.315 61 HA SER 13 HA SER 13 -7.049 12.019 10.091 62 HB2 SER 13 2HB SER 13 -7.671 10.179 7.945 63 HB3 SER 13 1HB SER 13 -6.018 9.942 8.511 64 HG SER 13 HG SER 13 -7.567 10.263 10.637 65 H SER 14 H SER 14 -4.946 12.234 10.634 66 HA SER 14 HA SER 14 -2.797 12.940 10.607 67 HB2 SER 14 2HB SER 14 -2.792 11.813 7.796 68 HB3 SER 14 1HB SER 14 -1.354 12.268 8.709 69 HG SER 14 HG SER 14 -2.182 9.956 8.727 70 H LEU 15 H LEU 15 -2.362 15.002 10.732 71 HA LEU 15 HA LEU 15 -2.463 16.666 8.316 72 HB2 LEU 15 2HB LEU 15 -4.211 16.901 10.574 73 HB3 LEU 15 1HB LEU 15 -3.173 18.307 10.531 74 HG LEU 15 HG LEU 15 -5.288 18.752 9.415 75 HD11 LEU 15 1HD1 LEU 15 -4.103 20.158 8.192 76 HD12 LEU 15 2HD1 LEU 15 -4.000 18.916 6.945 77 HD13 LEU 15 3HD1 LEU 15 -2.726 19.057 8.156 78 HD21 LEU 15 3HD2 LEU 15 -4.967 16.141 8.357 79 HD22 LEU 15 1HD2 LEU 15 -5.047 17.271 7.006 80 HD23 LEU 15 2HD2 LEU 15 -6.343 17.233 8.201 81 H TRP 16 H TRP 16 -0.870 15.699 11.160 82 HA TRP 16 HA TRP 16 1.213 17.736 10.738 83 HB2 TRP 16 2HB TRP 16 -0.353 17.253 13.139 84 HB3 TRP 16 1HB TRP 16 1.371 17.059 13.444 85 HD1 TRP 16 HD TRP 16 2.940 19.246 12.910 86 HE1 TRP 16 1HE TRP 16 2.381 21.754 13.043 87 HE3 TRP 16 3HE TRP 16 -2.176 18.957 12.847 88 HZ2 TRP 16 2HZ TRP 16 0.087 23.392 13.115 89 HZ3 TRP 16 3HZ TRP 16 -3.472 21.045 12.953 90 HH2 TRP 16 HH TRP 16 -2.363 23.215 13.084 91 H ASP 17 H ASP 17 3.354 17.095 11.353 92 HA ASP 17 HA ASP 17 3.832 14.250 10.939 93 HB2 ASP 17 2HB ASP 17 5.520 16.725 10.782 94 HB3 ASP 17 1HB ASP 17 6.292 15.149 10.928 95 HA PRO 18 HA PRO 18 4.841 13.405 15.184 96 HB2 PRO 18 2HB PRO 18 6.653 11.390 14.979 97 HB3 PRO 18 1HB PRO 18 4.933 11.177 14.634 98 HG2 PRO 18 2HG PRO 18 7.216 11.559 12.740 99 HG3 PRO 18 1HG PRO 18 5.821 10.473 12.610 100 HD2 PRO 18 2HD PRO 18 6.000 12.859 11.293 101 HD3 PRO 18 1HD PRO 18 4.461 12.121 11.772 102 H ALA 19 H ALA 19 8.088 12.464 14.274 103 HA ALA 19 HA ALA 19 9.130 14.805 15.728 104 HB1 ALA 19 3HB ALA 19 11.143 13.367 16.131 105 HB2 ALA 19 1HB ALA 19 10.241 12.025 15.425 106 HB3 ALA 19 2HB ALA 19 9.655 12.804 16.895 107 H SER 20 H SER 20 9.179 13.165 12.687 108 HA SER 20 HA SER 20 10.992 15.186 11.605 109 HB2 SER 20 2HB SER 20 11.468 12.217 11.506 110 HB3 SER 20 1HB SER 20 12.062 13.259 10.213 111 HG SER 20 HG SER 20 13.494 14.117 11.536 112 HA PRO 21 HA PRO 21 7.796 15.025 8.461 113 HB2 PRO 21 2HB PRO 21 8.860 16.754 6.666 114 HB3 PRO 21 1HB PRO 21 8.132 17.285 8.186 115 HG2 PRO 21 2HG PRO 21 11.019 16.947 7.481 116 HG3 PRO 21 1HG PRO 21 10.238 18.231 8.422 117 HD2 PRO 21 2HD PRO 21 11.592 16.135 9.547 118 HD3 PRO 21 1HD PRO 21 10.272 17.000 10.356 119 H ALA 22 H ALA 22 11.191 14.777 7.389 120 HA ALA 22 HA ALA 22 10.415 12.630 5.536 121 HB1 ALA 22 3HB ALA 22 12.179 14.986 4.882 122 HB2 ALA 22 1HB ALA 22 10.648 14.545 4.124 123 HB3 ALA 22 2HB ALA 22 12.073 13.531 3.891 124 HA PRO 23 HA PRO 23 13.901 10.724 7.648 125 HB2 PRO 23 2HB PRO 23 13.879 8.321 6.432 126 HB3 PRO 23 1HB PRO 23 12.630 8.798 7.587 127 HG2 PRO 23 2HG PRO 23 12.535 8.764 4.597 128 HG3 PRO 23 1HG PRO 23 11.291 8.278 5.763 129 HD2 PRO 23 2HD PRO 23 11.328 10.703 4.462 130 HD3 PRO 23 1HD PRO 23 10.533 10.419 6.022 131 H THR 24 H THR 24 14.557 12.547 5.524 132 HA THR 24 HA THR 24 16.279 13.195 4.200 133 HB THR 24 HB THR 24 18.060 10.887 4.679 134 HG1 THR 24 1HG THR 24 17.775 12.538 6.908 135 HG21 THR 24 1HG2 THR 24 18.582 13.242 3.740 136 HG22 THR 24 2HG2 THR 24 19.701 12.532 4.902 137 HG23 THR 24 3HG2 THR 24 18.541 13.753 5.426 138 H SER 25 H SER 25 17.901 12.314 2.405 139 HA SER 25 HA SER 25 18.212 11.420 0.349 140 HB2 SER 25 2HB SER 25 16.339 9.169 1.109 141 HB3 SER 25 1HB SER 25 17.593 9.155 -0.130 142 HG SER 25 HG SER 25 18.803 9.815 2.085 143 H GLY 26 H GLY 26 17.337 11.464 -1.722 144 HA2 GLY 26 2HA GLY 26 14.454 11.982 -1.950 145 HA3 GLY 26 1HA GLY 26 15.577 13.193 -2.543 146 HA PRO 27 HA PRO 27 15.951 11.073 -6.434 147 HB2 PRO 27 2HB PRO 27 18.591 10.728 -6.971 148 HB3 PRO 27 1HB PRO 27 17.802 12.309 -6.994 149 HG2 PRO 27 2HG PRO 27 19.475 11.056 -4.852 150 HG3 PRO 27 1HG PRO 27 19.491 12.725 -5.451 151 HD2 PRO 27 2HD PRO 27 18.239 11.994 -3.154 152 HD3 PRO 27 1HD PRO 27 17.678 13.334 -4.172 153 H ARG 28 H ARG 28 15.133 9.197 -4.780 154 HA ARG 28 HA ARG 28 16.390 6.772 -5.780 155 HB2 ARG 28 2HB ARG 28 16.213 5.709 -3.460 156 HB3 ARG 28 1HB ARG 28 17.548 6.815 -3.727 157 HG2 ARG 28 2HG ARG 28 16.918 7.713 -1.770 158 HG3 ARG 28 1HG ARG 28 15.644 8.491 -2.710 159 HD2 ARG 28 2HD ARG 28 14.316 6.316 -2.254 160 HD3 ARG 28 1HD ARG 28 15.495 6.057 -0.970 161 HE ARG 28 HE ARG 28 13.885 8.521 -1.109 162 HH11 ARG 28 1HH1 ARG 28 15.008 5.730 0.708 163 HH12 ARG 28 2HH1 ARG 28 14.295 6.269 2.191 164 HH21 ARG 28 1HH2 ARG 28 12.963 9.202 0.846 165 HH22 ARG 28 2HH2 ARG 28 13.141 8.231 2.269 166 HA PRO 29 HA PRO 29 11.950 6.037 -6.115 167 HB2 PRO 29 2HB PRO 29 12.035 3.774 -7.594 168 HB3 PRO 29 1HB PRO 29 12.344 5.371 -8.284 169 HG2 PRO 29 2HG PRO 29 14.280 3.237 -7.495 170 HG3 PRO 29 1HG PRO 29 14.324 4.333 -8.887 171 HD2 PRO 29 2HD PRO 29 15.788 4.685 -6.576 172 HD3 PRO 29 1HD PRO 29 15.347 5.991 -7.692 173 H ARG 30 H ARG 30 10.705 5.209 -4.576 174 HA ARG 30 HA ARG 30 10.689 2.501 -3.758 175 HB2 ARG 30 2HB ARG 30 12.515 4.221 -2.316 176 HB3 ARG 30 1HB ARG 30 11.242 3.665 -1.239 177 HG2 ARG 30 2HG ARG 30 11.754 1.364 -1.756 178 HG3 ARG 30 1HG ARG 30 12.959 1.871 -2.942 179 HD2 ARG 30 2HD ARG 30 14.515 2.152 -1.359 180 HD3 ARG 30 1HD ARG 30 13.413 3.094 -0.355 181 HE ARG 30 HE ARG 30 12.537 0.612 0.087 182 HH11 ARG 30 1HH1 ARG 30 15.809 1.889 0.134 183 HH12 ARG 30 2HH1 ARG 30 16.360 0.744 1.312 184 HH21 ARG 30 1HH2 ARG 30 13.281 -0.874 1.628 185 HH22 ARG 30 2HH2 ARG 30 14.929 -0.818 2.156 186 H LEU 31 H LEU 31 9.548 2.695 -1.240 187 HA LEU 31 HA LEU 31 6.912 3.719 -1.826 188 HB2 LEU 31 2HB LEU 31 8.197 2.031 0.247 189 HB3 LEU 31 1HB LEU 31 6.797 2.937 0.768 190 HG LEU 31 HG LEU 31 5.930 0.850 0.206 191 HD11 LEU 31 1HD1 LEU 31 4.914 2.889 -1.042 192 HD12 LEU 31 2HD1 LEU 31 4.367 1.250 -1.398 193 HD13 LEU 31 3HD1 LEU 31 5.505 2.054 -2.477 194 HD21 LEU 31 3HD2 LEU 31 6.447 -0.386 -1.847 195 HD22 LEU 31 1HD2 LEU 31 7.867 -0.129 -0.833 196 HD23 LEU 31 2HD2 LEU 31 7.625 0.852 -2.279 197 H TRP 32 H TRP 32 6.419 5.790 -1.577 198 HA TRP 32 HA TRP 32 7.235 7.224 0.832 199 HB2 TRP 32 2HB TRP 32 8.137 9.137 -0.361 200 HB3 TRP 32 1HB TRP 32 9.004 7.694 -0.867 201 HD1 TRP 32 HD TRP 32 7.935 6.629 -3.327 202 HE1 TRP 32 1HE TRP 32 7.350 7.964 -5.442 203 HE3 TRP 32 3HE TRP 32 7.481 11.297 -1.265 204 HZ2 TRP 32 2HZ TRP 32 6.786 10.632 -6.156 205 HZ3 TRP 32 3HZ TRP 32 6.920 13.183 -2.741 206 HH2 TRP 32 HH TRP 32 6.580 12.856 -5.136 207 H GLU 33 H GLU 33 6.031 9.245 1.159 208 HA GLU 33 HA GLU 33 3.271 8.942 0.696 209 HB2 GLU 33 2HB GLU 33 4.970 11.167 1.770 210 HB3 GLU 33 1HB GLU 33 3.255 11.431 1.484 211 HG2 GLU 33 2HG GLU 33 2.801 9.441 2.938 212 HG3 GLU 33 1HG GLU 33 4.517 9.436 3.344 213 H GLY 34 H GLY 34 2.180 9.220 -1.100 214 HA2 GLY 34 2HA GLY 34 1.267 10.580 -2.816 215 HA3 GLY 34 1HA GLY 34 2.755 11.511 -2.843 216 H GLN 35 H GLN 35 2.847 8.034 -2.775 217 HA GLN 35 HA GLN 35 3.939 8.029 -5.498 218 HB2 GLN 35 2HB GLN 35 5.547 7.084 -4.086 219 HB3 GLN 35 1HB GLN 35 4.345 6.324 -3.057 220 HG2 GLN 35 2HG GLN 35 4.662 4.390 -4.113 221 HG3 GLN 35 1HG GLN 35 4.169 5.130 -5.637 222 HE21 GLN 35 1HE2 GLN 35 6.241 3.114 -4.835 223 HE22 GLN 35 2HE2 GLN 35 7.706 3.679 -5.548 224 H ASP 36 H ASP 36 2.607 7.387 -7.079 225 HA ASP 36 HA ASP 36 0.102 6.120 -6.537 226 HB2 ASP 36 2HB ASP 36 1.525 6.577 -9.165 227 HB3 ASP 36 1HB ASP 36 -0.094 5.919 -9.028 228 H VAL 37 H VAL 37 -0.020 4.164 -5.874 229 HA VAL 37 HA VAL 37 1.836 2.115 -6.859 230 HB VAL 37 HB VAL 37 1.287 0.902 -4.743 231 HG11 VAL 37 1HG1 VAL 37 2.511 3.626 -4.379 232 HG12 VAL 37 2HG1 VAL 37 3.340 2.195 -4.986 233 HG13 VAL 37 3HG1 VAL 37 2.749 2.233 -3.326 234 HG21 VAL 37 3HG2 VAL 37 -0.877 2.301 -4.382 235 HG22 VAL 37 1HG2 VAL 37 0.198 3.461 -3.602 236 HG23 VAL 37 2HG2 VAL 37 0.068 1.816 -2.980 237 H LEU 38 H LEU 38 1.027 -0.095 -6.765 238 HA LEU 38 HA LEU 38 -1.821 -0.308 -7.458 239 HB2 LEU 38 2HB LEU 38 0.558 -1.712 -8.651 240 HB3 LEU 38 1HB LEU 38 -1.092 -2.239 -8.916 241 HG LEU 38 HG LEU 38 -0.120 0.522 -9.633 242 HD11 LEU 38 1HD1 LEU 38 -0.279 -0.542 -12.014 243 HD12 LEU 38 2HD1 LEU 38 0.047 -2.041 -11.142 244 HD13 LEU 38 3HD1 LEU 38 1.193 -0.703 -11.056 245 HD21 LEU 38 3HD2 LEU 38 -2.205 -0.290 -11.282 246 HD22 LEU 38 1HD2 LEU 38 -2.290 0.863 -9.952 247 HD23 LEU 38 2HD2 LEU 38 -2.663 -0.834 -9.668 248 H ALA 39 H ALA 39 -2.657 -1.007 -5.675 249 HA ALA 39 HA ALA 39 -1.347 -3.032 -4.044 250 HB1 ALA 39 3HB ALA 39 -2.727 -0.818 -3.373 251 HB2 ALA 39 1HB ALA 39 -2.600 -2.229 -2.328 252 HB3 ALA 39 2HB ALA 39 -4.030 -2.006 -3.325 253 H ARG 40 H ARG 40 -1.588 -5.024 -4.807 254 HA ARG 40 HA ARG 40 -3.789 -5.933 -6.369 255 HB2 ARG 40 2HB ARG 40 -1.219 -6.790 -5.862 256 HB3 ARG 40 1HB ARG 40 -2.188 -7.974 -5.011 257 HG2 ARG 40 2HG ARG 40 -3.115 -8.820 -6.932 258 HG3 ARG 40 1HG ARG 40 -2.906 -7.314 -7.823 259 HD2 ARG 40 2HD ARG 40 -0.549 -8.934 -6.926 260 HD3 ARG 40 1HD ARG 40 -1.400 -9.305 -8.426 261 HE ARG 40 HE ARG 40 -0.906 -6.823 -8.930 262 HH11 ARG 40 1HH1 ARG 40 1.264 -8.965 -7.188 263 HH12 ARG 40 2HH1 ARG 40 2.688 -8.113 -7.684 264 HH21 ARG 40 1HH2 ARG 40 0.971 -5.723 -9.566 265 HH22 ARG 40 2HH2 ARG 40 2.521 -6.279 -9.028 266 H TRP 41 H TRP 41 -5.675 -6.789 -5.751 267 HA TRP 41 HA TRP 41 -6.196 -7.137 -2.906 268 HB2 TRP 41 2HB TRP 41 -7.713 -5.763 -4.343 269 HB3 TRP 41 1HB TRP 41 -8.169 -7.225 -5.209 270 HD1 TRP 41 HD TRP 41 -10.394 -8.150 -4.405 271 HE1 TRP 41 1HE TRP 41 -11.725 -8.182 -2.204 272 HE3 TRP 41 3HE TRP 41 -7.091 -5.630 -1.407 273 HZ2 TRP 41 2HZ TRP 41 -11.423 -7.264 0.444 274 HZ3 TRP 41 3HZ TRP 41 -7.696 -5.251 0.946 275 HH2 TRP 41 HH TRP 41 -9.817 -6.050 1.851 276 H THR 42 H THR 42 -7.409 -8.993 -2.121 277 HA THR 42 HA THR 42 -6.169 -11.435 -2.896 278 HB THR 42 HB THR 42 -6.611 -11.033 -0.563 279 HG1 THR 42 1HG THR 42 -7.288 -13.059 -0.093 280 HG21 THR 42 1HG2 THR 42 -8.762 -9.734 -0.922 281 HG22 THR 42 2HG2 THR 42 -8.757 -10.854 0.440 282 HG23 THR 42 3HG2 THR 42 -9.576 -11.293 -1.060 283 H ASP 43 H ASP 43 -8.852 -9.949 -4.242 284 HA ASP 43 HA ASP 43 -10.230 -12.445 -4.885 285 HB2 ASP 43 2HB ASP 43 -11.348 -10.164 -4.233 286 HB3 ASP 43 1HB ASP 43 -11.092 -9.770 -5.934 287 H GLY 44 H GLY 44 -7.609 -10.919 -6.051 288 HA2 GLY 44 2HA GLY 44 -6.442 -11.618 -7.986 289 HA3 GLY 44 1HA GLY 44 -7.973 -12.058 -8.722 290 H LEU 45 H LEU 45 -8.660 -9.160 -7.492 291 HA LEU 45 HA LEU 45 -8.099 -7.793 -10.010 292 HB2 LEU 45 2HB LEU 45 -9.970 -7.191 -7.730 293 HB3 LEU 45 1HB LEU 45 -9.700 -6.078 -9.063 294 HG LEU 45 HG LEU 45 -10.389 -8.764 -9.969 295 HD11 LEU 45 1HD1 LEU 45 -11.725 -8.944 -8.027 296 HD12 LEU 45 2HD1 LEU 45 -12.808 -8.481 -9.340 297 HD13 LEU 45 3HD1 LEU 45 -12.277 -7.276 -8.166 298 HD21 LEU 45 3HD2 LEU 45 -11.968 -7.500 -11.343 299 HD22 LEU 45 1HD2 LEU 45 -10.347 -6.808 -11.414 300 HD23 LEU 45 2HD2 LEU 45 -11.592 -6.039 -10.429 301 H LEU 46 H LEU 46 -7.095 -5.809 -10.146 302 HA LEU 46 HA LEU 46 -5.196 -5.194 -8.037 303 HB2 LEU 46 2HB LEU 46 -4.556 -5.352 -10.465 304 HB3 LEU 46 1HB LEU 46 -5.559 -3.943 -10.763 305 HG LEU 46 HG LEU 46 -4.047 -2.646 -9.245 306 HD11 LEU 46 1HD1 LEU 46 -1.734 -4.264 -9.489 307 HD12 LEU 46 2HD1 LEU 46 -2.989 -5.239 -8.731 308 HD13 LEU 46 3HD1 LEU 46 -2.523 -3.699 -8.015 309 HD21 LEU 46 3HD2 LEU 46 -3.474 -3.777 -11.881 310 HD22 LEU 46 1HD2 LEU 46 -2.081 -3.073 -11.061 311 HD23 LEU 46 2HD2 LEU 46 -3.520 -2.101 -11.348 312 H TYR 47 H TYR 47 -4.834 -2.939 -7.377 313 HA TYR 47 HA TYR 47 -7.214 -1.214 -7.456 314 HB2 TYR 47 2HB TYR 47 -5.724 -2.086 -4.965 315 HB3 TYR 47 1HB TYR 47 -6.761 -0.674 -5.008 316 HD1 TYR 47 1HD TYR 47 -8.583 -2.864 -6.974 317 HD2 TYR 47 2HD TYR 47 -7.298 -2.411 -2.944 318 HE1 TYR 47 1HE TYR 47 -10.486 -4.210 -6.225 319 HE2 TYR 47 2HE TYR 47 -9.199 -3.769 -2.188 320 HH TYR 47 HH TYR 47 -10.701 -5.594 -3.255 321 H LEU 48 H LEU 48 -6.678 0.869 -7.874 322 HA LEU 48 HA LEU 48 -3.842 1.591 -7.826 323 HB2 LEU 48 2HB LEU 48 -4.963 1.979 -9.940 324 HB3 LEU 48 1HB LEU 48 -6.218 2.916 -9.150 325 HG LEU 48 HG LEU 48 -4.337 4.563 -8.519 326 HD11 LEU 48 1HD1 LEU 48 -2.430 3.149 -9.025 327 HD12 LEU 48 2HD1 LEU 48 -2.417 4.586 -10.047 328 HD13 LEU 48 3HD1 LEU 48 -2.935 3.037 -10.712 329 HD21 LEU 48 3HD2 LEU 48 -6.023 5.130 -10.125 330 HD22 LEU 48 1HD2 LEU 48 -5.222 4.175 -11.373 331 HD23 LEU 48 2HD2 LEU 48 -4.455 5.637 -10.754 332 H GLY 49 H GLY 49 -3.012 2.891 -6.371 333 HA2 GLY 49 2HA GLY 49 -4.645 4.854 -4.972 334 HA3 GLY 49 1HA GLY 49 -4.032 3.553 -3.976 335 H THR 50 H THR 50 -3.423 6.207 -3.463 336 HA THR 50 HA THR 50 -0.584 6.396 -4.245 337 HB THR 50 HB THR 50 -1.539 8.778 -2.906 338 HG1 THR 50 1HG THR 50 -2.756 8.440 -5.427 339 HG21 THR 50 1HG2 THR 50 0.499 8.517 -4.330 340 HG22 THR 50 2HG2 THR 50 -0.526 9.871 -4.802 341 HG23 THR 50 3HG2 THR 50 -0.556 8.376 -5.736 342 H ILE 51 H ILE 51 0.970 6.797 -2.640 343 HA ILE 51 HA ILE 51 0.409 5.459 -0.177 344 HB ILE 51 HB ILE 51 2.942 6.817 -1.102 345 HG12 ILE 51 2HG1 ILE 51 2.175 4.928 -2.513 346 HG13 ILE 51 1HG1 ILE 51 3.701 4.588 -1.715 347 HG21 ILE 51 1HG2 ILE 51 4.065 6.149 0.757 348 HG22 ILE 51 2HG2 ILE 51 3.116 4.673 0.927 349 HG23 ILE 51 3HG2 ILE 51 2.462 6.209 1.493 350 HD11 ILE 51 3HD1 ILE 51 1.782 3.597 0.026 351 HD12 ILE 51 1HD1 ILE 51 2.790 2.664 -1.072 352 HD13 ILE 51 2HD1 ILE 51 1.191 3.178 -1.578 353 H LYS 52 H LYS 52 -0.392 6.244 1.553 354 HA LYS 52 HA LYS 52 -0.230 9.107 2.147 355 HB2 LYS 52 2HB LYS 52 -2.231 7.092 2.500 356 HB3 LYS 52 1HB LYS 52 -1.779 7.700 4.086 357 HG2 LYS 52 2HG LYS 52 -2.313 9.721 1.984 358 HG3 LYS 52 1HG LYS 52 -3.691 8.812 2.601 359 HD2 LYS 52 2HD LYS 52 -3.208 9.503 4.855 360 HD3 LYS 52 1HD LYS 52 -1.708 10.277 4.339 361 HE2 LYS 52 2HE LYS 52 -2.787 12.079 3.446 362 HE3 LYS 52 1HE LYS 52 -4.219 11.143 3.018 363 HZ1 LYS 52 3HZ LYS 52 -3.475 12.048 5.749 364 HZ2 LYS 52 1HZ LYS 52 -4.826 11.101 5.371 365 HZ3 LYS 52 2HZ LYS 52 -4.714 12.685 4.789 366 H LYS 53 H LYS 53 0.854 5.979 3.267 367 HA LYS 53 HA LYS 53 2.617 7.256 5.201 368 HB2 LYS 53 2HB LYS 53 0.297 6.245 6.176 369 HB3 LYS 53 1HB LYS 53 1.300 4.804 6.211 370 HG2 LYS 53 2HG LYS 53 2.959 6.661 7.337 371 HG3 LYS 53 1HG LYS 53 1.376 7.176 7.918 372 HD2 LYS 53 2HD LYS 53 2.011 5.673 9.556 373 HD3 LYS 53 1HD LYS 53 1.074 4.637 8.478 374 HE2 LYS 53 2HE LYS 53 2.950 3.342 8.781 375 HE3 LYS 53 1HE LYS 53 3.407 4.251 7.337 376 HZ1 LYS 53 3HZ LYS 53 4.208 4.871 10.133 377 HZ2 LYS 53 1HZ LYS 53 4.599 5.813 8.782 378 HZ3 LYS 53 2HZ LYS 53 5.206 4.240 8.922 379 H VAL 54 H VAL 54 4.315 5.749 5.957 380 HA VAL 54 HA VAL 54 4.755 3.442 4.207 381 HB VAL 54 HB VAL 54 6.734 5.715 4.546 382 HG11 VAL 54 1HG1 VAL 54 7.265 2.904 4.122 383 HG12 VAL 54 2HG1 VAL 54 8.400 4.229 4.377 384 HG13 VAL 54 3HG1 VAL 54 7.819 3.864 2.751 385 HG21 VAL 54 3HG2 VAL 54 5.066 4.701 2.308 386 HG22 VAL 54 1HG2 VAL 54 6.687 5.273 1.921 387 HG23 VAL 54 2HG2 VAL 54 5.537 6.352 2.711 388 H ASP 55 H ASP 55 5.620 1.751 5.159 389 HA ASP 55 HA ASP 55 6.825 2.029 7.829 390 HB2 ASP 55 2HB ASP 55 4.668 0.204 6.858 391 HB3 ASP 55 1HB ASP 55 5.847 -0.465 7.989 392 H SER 56 H SER 56 8.870 2.126 6.792 393 HA SER 56 HA SER 56 9.816 0.035 5.076 394 HB2 SER 56 2HB SER 56 11.389 2.186 6.509 395 HB3 SER 56 1HB SER 56 11.946 1.214 5.148 396 HG SER 56 HG SER 56 9.898 3.169 5.181 397 H ALA 57 H ALA 57 9.203 -0.111 8.282 398 HA ALA 57 HA ALA 57 11.605 -1.541 9.101 399 HB1 ALA 57 3HB ALA 57 10.465 0.034 10.641 400 HB2 ALA 57 1HB ALA 57 10.637 -1.592 11.301 401 HB3 ALA 57 2HB ALA 57 9.078 -1.055 10.673 402 H ARG 58 H ARG 58 8.166 -2.215 8.534 403 HA ARG 58 HA ARG 58 8.717 -5.101 8.724 404 HB2 ARG 58 2HB ARG 58 6.259 -3.448 9.196 405 HB3 ARG 58 1HB ARG 58 6.098 -5.145 8.775 406 HG2 ARG 58 2HG ARG 58 6.141 -5.404 11.016 407 HG3 ARG 58 1HG ARG 58 7.886 -5.349 10.773 408 HD2 ARG 58 2HD ARG 58 7.911 -2.981 11.295 409 HD3 ARG 58 1HD ARG 58 6.155 -2.971 11.443 410 HE ARG 58 HE ARG 58 6.536 -4.592 13.340 411 HH11 ARG 58 1HH1 ARG 58 8.946 -2.176 12.500 412 HH12 ARG 58 2HH1 ARG 58 9.605 -2.114 14.100 413 HH21 ARG 58 1HH2 ARG 58 7.416 -4.491 15.425 414 HH22 ARG 58 2HH2 ARG 58 8.739 -3.422 15.753 415 H GLU 59 H GLU 59 8.815 -2.930 6.400 416 HA GLU 59 HA GLU 59 8.581 -2.868 4.142 417 HB2 GLU 59 2HB GLU 59 8.321 -5.846 4.564 418 HB3 GLU 59 1HB GLU 59 8.271 -5.125 2.960 419 HG2 GLU 59 2HG GLU 59 10.549 -4.414 4.724 420 HG3 GLU 59 1HG GLU 59 10.515 -6.038 4.027 421 H VAL 60 H VAL 60 6.461 -1.952 5.397 422 HA VAL 60 HA VAL 60 4.201 -2.779 3.703 423 HB VAL 60 HB VAL 60 3.676 -1.841 6.510 424 HG11 VAL 60 1HG1 VAL 60 1.634 -1.921 5.552 425 HG12 VAL 60 2HG1 VAL 60 1.750 -3.630 5.970 426 HG13 VAL 60 3HG1 VAL 60 2.131 -3.098 4.335 427 HG21 VAL 60 3HG2 VAL 60 3.337 -4.393 6.998 428 HG22 VAL 60 1HG2 VAL 60 4.931 -3.657 7.175 429 HG23 VAL 60 2HG2 VAL 60 4.545 -4.587 5.728 430 H CYS 61 H CYS 61 2.533 -1.054 3.503 431 HA CYS 61 HA CYS 61 3.238 1.662 4.235 432 HB2 CYS 61 2HB CYS 61 3.480 0.679 1.417 433 HB3 CYS 61 1HB CYS 61 2.877 2.310 1.710 434 HG CYS 61 HG CYS 61 5.698 1.507 3.351 435 H LEU 62 H LEU 62 1.532 3.061 4.165 436 HA LEU 62 HA LEU 62 -1.086 1.839 3.670 437 HB2 LEU 62 2HB LEU 62 -0.207 3.334 5.800 438 HB3 LEU 62 1HB LEU 62 -1.003 4.541 4.820 439 HG LEU 62 HG LEU 62 -2.642 3.847 6.346 440 HD11 LEU 62 1HD1 LEU 62 -3.133 3.529 3.700 441 HD12 LEU 62 2HD1 LEU 62 -4.353 3.393 4.966 442 HD13 LEU 62 3HD1 LEU 62 -3.586 1.942 4.320 443 HD21 LEU 62 3HD2 LEU 62 -1.884 1.981 7.425 444 HD22 LEU 62 1HD2 LEU 62 -1.511 1.129 5.926 445 HD23 LEU 62 2HD2 LEU 62 -3.186 1.291 6.455 446 H VAL 63 H VAL 63 -2.403 2.552 2.108 447 HA VAL 63 HA VAL 63 -1.627 4.955 0.631 448 HB VAL 63 HB VAL 63 -0.927 3.826 -1.155 449 HG11 VAL 63 1HG1 VAL 63 -1.625 1.434 0.472 450 HG12 VAL 63 2HG1 VAL 63 -0.040 2.052 0.011 451 HG13 VAL 63 3HG1 VAL 63 -1.061 1.257 -1.187 452 HG21 VAL 63 3HG2 VAL 63 -3.331 3.957 -1.833 453 HG22 VAL 63 1HG2 VAL 63 -3.483 2.275 -1.320 454 HG23 VAL 63 2HG2 VAL 63 -2.376 2.703 -2.625 455 H GLN 64 H GLN 64 -3.229 6.098 -0.314 456 HA GLN 64 HA GLN 64 -5.958 5.450 0.510 457 HB2 GLN 64 2HB GLN 64 -4.795 7.787 0.791 458 HB3 GLN 64 1HB GLN 64 -5.165 7.987 -0.915 459 HG2 GLN 64 2HG GLN 64 -7.267 8.557 -0.450 460 HG3 GLN 64 1HG GLN 64 -7.510 7.082 0.483 461 HE21 GLN 64 1HE2 GLN 64 -8.128 10.099 0.755 462 HE22 GLN 64 2HE2 GLN 64 -7.723 10.433 2.401 463 H PHE 65 H PHE 65 -7.565 5.027 -0.972 464 HA PHE 65 HA PHE 65 -6.645 4.577 -3.714 465 HB2 PHE 65 2HB PHE 65 -8.808 3.247 -2.083 466 HB3 PHE 65 1HB PHE 65 -8.503 2.902 -3.788 467 HD1 PHE 65 2HD PHE 65 -7.010 2.742 -0.394 468 HD2 PHE 65 1HD PHE 65 -6.739 1.529 -4.442 469 HE1 PHE 65 2HE PHE 65 -5.237 1.143 0.213 470 HE2 PHE 65 1HE PHE 65 -4.967 -0.069 -3.854 471 HZ PHE 65 HZ PHE 65 -4.229 -0.272 -1.527 472 H GLU 66 H GLU 66 -8.359 4.662 -5.426 473 HA GLU 66 HA GLU 66 -9.316 7.261 -5.703 474 HB2 GLU 66 2HB GLU 66 -8.959 5.205 -7.409 475 HB3 GLU 66 1HB GLU 66 -10.716 5.231 -7.301 476 HG2 GLU 66 2HG GLU 66 -10.342 6.661 -9.057 477 HG3 GLU 66 1HG GLU 66 -10.453 7.780 -7.701 478 H ASP 67 H ASP 67 -11.096 4.334 -4.651 479 HA ASP 67 HA ASP 67 -13.543 5.900 -4.465 480 HB2 ASP 67 2HB ASP 67 -13.506 3.540 -5.288 481 HB3 ASP 67 1HB ASP 67 -13.090 3.020 -3.664 482 H ASP 68 H ASP 68 -11.300 6.709 -2.829 483 HA ASP 68 HA ASP 68 -10.743 7.444 -0.772 484 HB2 ASP 68 2HB ASP 68 -13.750 7.444 -0.559 485 HB3 ASP 68 1HB ASP 68 -12.719 8.077 0.721 486 H SER 69 H SER 69 -9.960 5.016 -0.697 487 HA SER 69 HA SER 69 -10.934 3.924 1.860 488 HB2 SER 69 2HB SER 69 -11.327 2.589 -0.402 489 HB3 SER 69 1HB SER 69 -9.659 2.067 -0.115 490 HG SER 69 HG SER 69 -11.166 1.949 2.143 491 H GLN 70 H GLN 70 -9.491 3.722 3.409 492 HA GLN 70 HA GLN 70 -6.647 4.019 2.765 493 HB2 GLN 70 2HB GLN 70 -8.326 4.632 5.131 494 HB3 GLN 70 1HB GLN 70 -6.724 4.000 5.486 495 HG2 GLN 70 2HG GLN 70 -7.034 6.253 3.552 496 HG3 GLN 70 1HG GLN 70 -7.100 6.561 5.287 497 HE21 GLN 70 1HE2 GLN 70 -5.114 6.201 2.617 498 HE22 GLN 70 2HE2 GLN 70 -3.592 6.093 3.438 499 H PHE 71 H PHE 71 -6.059 2.063 2.064 500 HA PHE 71 HA PHE 71 -6.594 -0.257 3.799 501 HB2 PHE 71 2HB PHE 71 -6.862 0.216 0.923 502 HB3 PHE 71 1HB PHE 71 -5.999 -1.269 1.283 503 HD1 PHE 71 1HD PHE 71 -8.564 -0.318 3.718 504 HD2 PHE 71 2HD PHE 71 -7.865 -2.310 0.021 505 HE1 PHE 71 1HE PHE 71 -10.720 -1.467 3.934 506 HE2 PHE 71 2HE PHE 71 -10.021 -3.470 0.240 507 HZ PHE 71 HZ PHE 71 -11.453 -3.047 2.196 508 H LEU 72 H LEU 72 -4.959 -1.206 4.698 509 HA LEU 72 HA LEU 72 -2.253 -0.370 4.303 510 HB2 LEU 72 2HB LEU 72 -3.320 -1.035 6.478 511 HB3 LEU 72 1HB LEU 72 -3.341 -2.692 5.908 512 HG LEU 72 HG LEU 72 -0.673 -1.511 5.789 513 HD11 LEU 72 1HD1 LEU 72 -1.518 -0.270 7.732 514 HD12 LEU 72 2HD1 LEU 72 -0.284 -1.443 8.183 515 HD13 LEU 72 3HD1 LEU 72 -1.986 -1.790 8.489 516 HD21 LEU 72 3HD2 LEU 72 -0.955 -3.854 5.536 517 HD22 LEU 72 1HD2 LEU 72 -1.916 -3.967 7.011 518 HD23 LEU 72 2HD2 LEU 72 -0.196 -3.600 7.107 519 H VAL 73 H VAL 73 -0.969 -1.086 2.727 520 HA VAL 73 HA VAL 73 -1.322 -3.855 1.742 521 HB VAL 73 HB VAL 73 0.025 -1.930 -0.064 522 HG11 VAL 73 1HG1 VAL 73 -0.491 -4.434 -0.424 523 HG12 VAL 73 2HG1 VAL 73 -0.750 -3.308 -1.754 524 HG13 VAL 73 3HG1 VAL 73 -2.121 -3.878 -0.802 525 HG21 VAL 73 3HG2 VAL 73 -2.972 -1.934 -0.086 526 HG22 VAL 73 1HG2 VAL 73 -1.851 -0.792 -0.827 527 HG23 VAL 73 2HG2 VAL 73 -2.087 -0.787 0.918 528 H LEU 74 H LEU 74 0.465 -5.037 1.142 529 HA LEU 74 HA LEU 74 2.917 -4.388 2.572 530 HB2 LEU 74 2HB LEU 74 2.140 -6.888 1.050 531 HB3 LEU 74 1HB LEU 74 3.586 -6.696 2.010 532 HG LEU 74 HG LEU 74 2.175 -8.000 3.335 533 HD11 LEU 74 1HD1 LEU 74 1.922 -6.814 5.288 534 HD12 LEU 74 2HD1 LEU 74 1.417 -5.344 4.454 535 HD13 LEU 74 3HD1 LEU 74 3.106 -5.849 4.407 536 HD21 LEU 74 3HD2 LEU 74 -0.094 -6.123 2.694 537 HD22 LEU 74 1HD2 LEU 74 -0.182 -7.510 3.781 538 HD23 LEU 74 2HD2 LEU 74 0.127 -7.754 2.061 539 H TRP 75 H TRP 75 4.973 -4.334 1.588 540 HA TRP 75 HA TRP 75 5.138 -3.045 -0.903 541 HB2 TRP 75 2HB TRP 75 7.259 -4.419 0.742 542 HB3 TRP 75 1HB TRP 75 7.620 -3.536 -0.727 543 HD1 TRP 75 HD TRP 75 5.006 -2.001 1.592 544 HE1 TRP 75 1HE TRP 75 6.001 0.083 2.709 545 HE3 TRP 75 3HE TRP 75 9.906 -2.528 0.151 546 HZ2 TRP 75 2HZ TRP 75 8.503 1.337 2.969 547 HZ3 TRP 75 3HZ TRP 75 11.529 -0.834 0.894 548 HH2 TRP 75 HH TRP 75 10.838 1.058 2.277 549 H LYS 76 H LYS 76 4.771 -6.374 -0.245 550 HA LYS 76 HA LYS 76 6.010 -7.272 -2.726 551 HB2 LYS 76 2HB LYS 76 5.023 -9.538 -2.003 552 HB3 LYS 76 1HB LYS 76 6.330 -8.865 -1.046 553 HG2 LYS 76 2HG LYS 76 4.658 -8.061 0.593 554 HG3 LYS 76 1HG LYS 76 3.396 -8.856 -0.350 555 HD2 LYS 76 2HD LYS 76 4.453 -11.012 0.012 556 HD3 LYS 76 1HD LYS 76 5.782 -10.239 0.879 557 HE2 LYS 76 2HE LYS 76 3.923 -9.322 2.426 558 HE3 LYS 76 1HE LYS 76 2.929 -10.596 1.721 559 HZ1 LYS 76 3HZ LYS 76 5.033 -10.784 3.660 560 HZ2 LYS 76 1HZ LYS 76 5.225 -11.880 2.385 561 HZ3 LYS 76 2HZ LYS 76 3.800 -11.883 3.296 562 H ASP 77 H ASP 77 2.824 -6.558 -1.492 563 HA ASP 77 HA ASP 77 1.485 -7.602 -3.867 564 HB2 ASP 77 2HB ASP 77 0.670 -6.794 -1.157 565 HB3 ASP 77 1HB ASP 77 -0.472 -6.366 -2.423 566 H ILE 78 H ILE 78 3.194 -4.936 -3.299 567 HA ILE 78 HA ILE 78 1.347 -3.085 -4.629 568 HB ILE 78 HB ILE 78 3.820 -2.549 -2.978 569 HG12 ILE 78 2HG1 ILE 78 1.014 -1.534 -2.526 570 HG13 ILE 78 1HG1 ILE 78 1.522 -3.114 -1.947 571 HG21 ILE 78 1HG2 ILE 78 4.092 -0.711 -4.258 572 HG22 ILE 78 2HG2 ILE 78 2.684 -0.097 -3.393 573 HG23 ILE 78 3HG2 ILE 78 2.487 -0.860 -4.972 574 HD11 ILE 78 3HD1 ILE 78 2.351 -2.195 -0.140 575 HD12 ILE 78 1HD1 ILE 78 1.842 -0.608 -0.714 576 HD13 ILE 78 2HD1 ILE 78 3.447 -1.218 -1.117 577 H SER 79 H SER 79 1.798 -2.149 -6.525 578 HA SER 79 HA SER 79 4.361 -2.695 -7.857 579 HB2 SER 79 2HB SER 79 1.975 -3.935 -8.566 580 HB3 SER 79 1HB SER 79 2.084 -2.588 -9.703 581 HG SER 79 HG SER 79 3.464 -4.898 -9.669 582 HA PRO 80 HA PRO 80 3.947 1.880 -7.912 583 HB2 PRO 80 2HB PRO 80 6.376 1.535 -9.615 584 HB3 PRO 80 1HB PRO 80 6.092 2.654 -8.278 585 HG2 PRO 80 2HG PRO 80 7.600 0.514 -7.902 586 HG3 PRO 80 1HG PRO 80 6.429 1.009 -6.661 587 HD2 PRO 80 2HD PRO 80 6.247 -1.214 -8.662 588 HD3 PRO 80 1HD PRO 80 5.734 -1.179 -6.961 589 H ALA 81 H ALA 81 2.542 2.827 -9.190 590 HA ALA 81 HA ALA 81 1.983 1.916 -11.855 591 HB1 ALA 81 3HB ALA 81 0.822 4.383 -10.603 592 HB2 ALA 81 1HB ALA 81 0.315 2.768 -10.111 593 HB3 ALA 81 2HB ALA 81 0.094 3.290 -11.780 594 H ALA 82 H ALA 82 3.278 4.920 -10.442 595 HA ALA 82 HA ALA 82 4.341 5.641 -13.093 596 HB1 ALA 82 3HB ALA 82 3.849 7.936 -12.743 597 HB2 ALA 82 1HB ALA 82 3.394 7.652 -11.063 598 HB3 ALA 82 2HB ALA 82 2.376 7.043 -12.368 599 H LEU 83 H LEU 83 6.414 6.353 -13.177 600 HA LEU 83 HA LEU 83 7.866 6.690 -10.641 601 HB2 LEU 83 2HB LEU 83 9.841 5.576 -11.773 602 HB3 LEU 83 1HB LEU 83 8.522 4.530 -11.293 603 HG LEU 83 HG LEU 83 8.038 5.291 -13.986 604 HD11 LEU 83 1HD1 LEU 83 10.848 4.303 -13.522 605 HD12 LEU 83 2HD1 LEU 83 10.393 5.891 -14.140 606 HD13 LEU 83 3HD1 LEU 83 10.046 4.444 -15.087 607 HD21 LEU 83 3HD2 LEU 83 8.965 2.708 -12.736 608 HD22 LEU 83 1HD2 LEU 83 8.324 2.870 -14.371 609 HD23 LEU 83 2HD2 LEU 83 7.296 3.223 -12.982 610 HA ALA 331 HA ALA 331 -20.703 -1.480 -0.750 611 HB1 ALA 331 3HB ALA 331 -22.407 -3.543 -2.136 612 HB2 ALA 331 1HB ALA 331 -21.057 -3.917 -1.065 613 HB3 ALA 331 2HB ALA 331 -20.772 -3.045 -2.572 614 H THR 332 H THR 332 -20.633 0.131 -2.176 615 HA THR 332 HA THR 332 -23.031 0.803 -3.733 616 HB THR 332 HB THR 332 -22.389 3.278 -3.302 617 HG1 THR 332 1HG THR 332 -21.649 3.211 -0.887 618 HG21 THR 332 1HG2 THR 332 -23.763 3.284 -1.186 619 HG22 THR 332 2HG2 THR 332 -23.745 1.522 -1.262 620 HG23 THR 332 3HG2 THR 332 -24.494 2.453 -2.560 621 H GLY 333 H GLY 333 -19.561 1.341 -3.232 622 HA2 GLY 333 2HA GLY 333 -19.221 1.492 -6.149 623 HA3 GLY 333 1HA GLY 333 -18.534 2.761 -5.147 624 H GLY 334 H GLY 334 -16.453 2.233 -5.936 625 HA2 GLY 334 2HA GLY 334 -14.383 1.383 -5.131 626 HA3 GLY 334 1HA GLY 334 -15.232 -0.018 -4.498 627 H VAL 335 H VAL 335 -14.054 1.535 -7.434 628 HA VAL 335 HA VAL 335 -13.728 -1.109 -8.637 629 HB VAL 335 HB VAL 335 -15.865 -0.091 -9.478 630 HG11 VAL 335 1HG1 VAL 335 -15.885 1.716 -11.030 631 HG12 VAL 335 2HG1 VAL 335 -14.126 1.830 -11.009 632 HG13 VAL 335 3HG1 VAL 335 -15.053 2.264 -9.574 633 HG21 VAL 335 3HG2 VAL 335 -13.723 -0.657 -11.520 634 HG22 VAL 335 1HG2 VAL 335 -15.454 -0.624 -11.853 635 HG23 VAL 335 2HG2 VAL 335 -14.792 -1.828 -10.748 636 H M3L 336 H M3L 336 -12.788 2.283 -8.512 637 HA M3L 336 HA M3L 336 -10.947 3.453 -9.171 638 HB2 M3L 336 1HB M3L 336 -8.748 2.246 -8.979 639 HB3 M3L 336 2HB M3L 336 -9.646 0.756 -8.727 640 HG2 M3L 336 1HG M3L 336 -10.275 3.051 -6.960 641 HG3 M3L 336 2HG M3L 336 -8.747 2.209 -6.704 642 HD2 M3L 336 1HD M3L 336 -9.792 0.209 -6.172 643 HD3 M3L 336 2HD M3L 336 -11.288 0.663 -6.989 644 HE2 M3L 336 1HE M3L 336 -12.091 1.770 -5.194 645 HE3 M3L 336 2HE M3L 336 -10.525 2.423 -4.758 646 HM11 M3L 336 1HM1 M3L 336 -8.848 0.636 -4.242 647 HM12 M3L 336 2HM1 M3L 336 -9.364 -0.853 -3.542 648 HM13 M3L 336 3HM1 M3L 336 -9.255 0.565 -2.567 649 HM21 M3L 336 1HM2 M3L 336 -11.298 -1.250 -5.011 650 HM22 M3L 336 2HM2 M3L 336 -12.752 -0.465 -4.508 651 HM23 M3L 336 3HM2 M3L 336 -11.817 -1.360 -3.364 652 HM31 M3L 336 3HM3 M3L 336 -12.624 1.126 -2.665 653 HM32 M3L 336 1HM3 M3L 336 -11.275 2.202 -2.567 654 HM33 M3L 336 2HM3 M3L 336 -11.230 0.676 -1.758 655 H LYS 337 H LYS 337 -8.769 3.155 -10.687 656 HA LYS 337 HA LYS 337 -9.606 1.995 -13.245 657 HB2 LYS 337 2HB LYS 337 -8.711 4.084 -14.397 658 HB3 LYS 337 1HB LYS 337 -10.245 4.254 -13.565 659 HG2 LYS 337 2HG LYS 337 -7.736 4.988 -12.119 660 HG3 LYS 337 1HG LYS 337 -8.361 6.082 -13.350 661 HD2 LYS 337 2HD LYS 337 -10.415 5.132 -11.493 662 HD3 LYS 337 1HD LYS 337 -9.124 6.037 -10.697 663 HE2 LYS 337 2HE LYS 337 -10.362 7.128 -13.192 664 HE3 LYS 337 1HE LYS 337 -11.224 7.276 -11.662 665 HZ1 LYS 337 3HZ LYS 337 -8.944 8.170 -10.840 666 HZ2 LYS 337 1HZ LYS 337 -9.997 9.192 -11.684 667 HZ3 LYS 337 2HZ LYS 337 -8.678 8.491 -12.479 668 HA PRO 338 HA PRO 338 -4.977 1.350 -12.189 669 HB2 PRO 338 2HB PRO 338 -5.590 -1.443 -11.565 670 HB3 PRO 338 1HB PRO 338 -4.739 -0.250 -10.581 671 HG2 PRO 338 2HG PRO 338 -7.169 -1.158 -9.912 672 HG3 PRO 338 1HG PRO 338 -6.674 0.521 -9.621 673 HD2 PRO 338 2HD PRO 338 -8.322 -0.592 -11.884 674 HD3 PRO 338 1HD PRO 338 -8.655 0.819 -10.853 675 H HIS 339 H HIS 339 -3.925 -1.137 -12.750 676 HA HIS 339 HA HIS 339 -3.970 -1.217 -15.615 677 HB2 HIS 339 2HB HIS 339 -1.823 -1.637 -15.025 678 HB3 HIS 339 1HB HIS 339 -2.292 -2.081 -13.396 679 HD1 HIS 339 1HD HIS 339 -2.408 -3.800 -16.795 680 HD2 HIS 339 2HD HIS 339 -1.524 -4.519 -12.802 681 HE1 HIS 339 1HE HIS 339 -1.625 -6.181 -16.701 682 HE2 HIS 339 2HE HIS 339 -1.216 -6.640 -14.260 683 H ARG 340 H ARG 340 -4.866 -3.426 -12.983 684 HA ARG 340 HA ARG 340 -6.085 -5.331 -12.835 685 HB2 ARG 340 2HB ARG 340 -7.676 -3.326 -13.805 686 HB3 ARG 340 1HB ARG 340 -7.988 -4.624 -14.948 687 HG2 ARG 340 2HG ARG 340 -8.350 -6.088 -12.864 688 HG3 ARG 340 1HG ARG 340 -8.487 -4.554 -11.999 689 HD2 ARG 340 2HD ARG 340 -10.677 -4.799 -12.548 690 HD3 ARG 340 1HD ARG 340 -10.133 -4.042 -14.045 691 HE ARG 340 HE ARG 340 -9.797 -6.753 -14.407 692 HH11 ARG 340 1HH1 ARG 340 -12.524 -4.638 -13.754 693 HH12 ARG 340 2HH1 ARG 340 -13.659 -5.662 -14.566 694 HH21 ARG 340 1HH2 ARG 340 -11.301 -8.078 -15.464 695 HH22 ARG 340 2HH2 ARG 340 -12.966 -7.608 -15.534 696 H TYR 341 H TYR 341 -5.339 -7.227 -13.414 697 HA TYR 341 HA TYR 341 -5.862 -8.261 -16.070 698 HB2 TYR 341 2HB TYR 341 -3.265 -7.295 -15.455 699 HB3 TYR 341 1HB TYR 341 -3.172 -9.054 -15.469 700 HD1 TYR 341 1HD TYR 341 -3.889 -6.063 -17.486 701 HD2 TYR 341 2HD TYR 341 -3.479 -10.298 -17.514 702 HE1 TYR 341 1HE TYR 341 -3.816 -6.033 -19.943 703 HE2 TYR 341 2HE TYR 341 -3.402 -10.279 -19.972 704 HH TYR 341 HH TYR 341 -4.457 -8.115 -21.830 Start of MODEL 19 1 HA SER 5 HA SER 5 9.675 -29.244 14.594 2 HB2 SER 5 2HB SER 5 8.828 -31.065 16.300 3 HB3 SER 5 1HB SER 5 7.250 -30.353 15.962 4 HG SER 5 HG SER 5 8.527 -30.715 13.654 5 H ARG 6 H ARG 6 7.225 -27.832 16.736 6 HA ARG 6 HA ARG 6 5.866 -26.656 14.415 7 HB2 ARG 6 2HB ARG 6 5.028 -27.138 17.265 8 HB3 ARG 6 1HB ARG 6 4.161 -25.996 16.249 9 HG2 ARG 6 2HG ARG 6 4.324 -28.266 14.676 10 HG3 ARG 6 1HG ARG 6 4.046 -28.897 16.299 11 HD2 ARG 6 2HD ARG 6 1.896 -28.569 15.477 12 HD3 ARG 6 1HD ARG 6 2.184 -27.118 16.434 13 HE ARG 6 HE ARG 6 2.556 -25.915 14.376 14 HH11 ARG 6 1HH1 ARG 6 1.137 -29.106 13.971 15 HH12 ARG 6 2HH1 ARG 6 0.500 -28.747 12.402 16 HH21 ARG 6 1HH2 ARG 6 1.711 -25.472 12.322 17 HH22 ARG 6 2HH2 ARG 6 0.824 -26.692 11.470 18 H LEU 7 H LEU 7 6.264 -24.637 13.879 19 HA LEU 7 HA LEU 7 6.956 -22.674 15.947 20 HB2 LEU 7 2HB LEU 7 8.551 -23.356 13.504 21 HB3 LEU 7 1HB LEU 7 8.594 -21.726 14.152 22 HG LEU 7 HG LEU 7 9.067 -23.829 16.148 23 HD11 LEU 7 1HD1 LEU 7 10.969 -23.413 13.853 24 HD12 LEU 7 2HD1 LEU 7 10.217 -24.922 14.368 25 HD13 LEU 7 3HD1 LEU 7 11.424 -24.144 15.392 26 HD21 LEU 7 3HD2 LEU 7 9.290 -21.297 16.377 27 HD22 LEU 7 1HD2 LEU 7 10.780 -21.465 15.448 28 HD23 LEU 7 2HD2 LEU 7 10.611 -22.286 16.999 29 H SER 8 H SER 8 5.201 -23.499 13.175 30 HA SER 8 HA SER 8 4.694 -20.739 12.372 31 HB2 SER 8 2HB SER 8 5.076 -22.689 10.731 32 HB3 SER 8 1HB SER 8 3.434 -23.186 11.136 33 HG SER 8 HG SER 8 2.652 -21.330 10.266 34 H ARG 9 H ARG 9 3.815 -20.789 14.775 35 HA ARG 9 HA ARG 9 0.934 -21.390 14.727 36 HB2 ARG 9 2HB ARG 9 2.989 -21.683 16.754 37 HB3 ARG 9 1HB ARG 9 1.655 -20.705 17.347 38 HG2 ARG 9 2HG ARG 9 0.972 -23.240 15.962 39 HG3 ARG 9 1HG ARG 9 1.689 -23.350 17.569 40 HD2 ARG 9 2HD ARG 9 -0.054 -21.957 18.490 41 HD3 ARG 9 1HD ARG 9 -0.734 -21.688 16.886 42 HE ARG 9 HE ARG 9 -0.980 -24.278 16.973 43 HH11 ARG 9 1HH1 ARG 9 -1.513 -22.070 19.651 44 HH12 ARG 9 2HH1 ARG 9 -2.678 -23.099 20.417 45 HH21 ARG 9 1HH2 ARG 9 -2.506 -25.608 17.992 46 HH22 ARG 9 2HH2 ARG 9 -3.239 -25.100 19.478 47 H SER 10 H SER 10 3.317 -18.891 15.486 48 HA SER 10 HA SER 10 1.199 -16.912 15.880 49 HB2 SER 10 2HB SER 10 4.190 -16.765 16.320 50 HB3 SER 10 1HB SER 10 3.084 -15.416 16.578 51 HG SER 10 HG SER 10 3.677 -16.876 18.435 52 H GLY 11 H GLY 11 0.589 -15.590 14.319 53 HA2 GLY 11 2HA GLY 11 2.341 -14.368 12.453 54 HA3 GLY 11 1HA GLY 11 1.487 -15.700 11.690 55 H ALA 12 H ALA 12 0.560 -13.183 14.030 56 HA ALA 12 HA ALA 12 -1.851 -12.650 12.448 57 HB1 ALA 12 3HB ALA 12 -1.522 -13.032 15.142 58 HB2 ALA 12 1HB ALA 12 -2.918 -12.259 14.389 59 HB3 ALA 12 2HB ALA 12 -1.598 -11.275 15.018 60 H SER 13 H SER 13 -2.557 -10.411 12.176 61 HA SER 13 HA SER 13 -0.342 -8.701 11.389 62 HB2 SER 13 2HB SER 13 -2.195 -7.268 10.431 63 HB3 SER 13 1HB SER 13 -2.094 -8.899 9.770 64 HG SER 13 HG SER 13 -4.038 -7.748 11.396 65 H SER 14 H SER 14 0.340 -6.947 12.426 66 HA SER 14 HA SER 14 0.661 -5.364 14.012 67 HB2 SER 14 2HB SER 14 -2.282 -5.195 13.534 68 HB3 SER 14 1HB SER 14 -1.611 -4.303 14.900 69 HG SER 14 HG SER 14 -1.604 -3.026 13.027 70 H LEU 15 H LEU 15 1.569 -6.088 15.800 71 HA LEU 15 HA LEU 15 -0.159 -7.113 17.946 72 HB2 LEU 15 2HB LEU 15 2.147 -8.435 16.670 73 HB3 LEU 15 1HB LEU 15 2.167 -8.449 18.423 74 HG LEU 15 HG LEU 15 -0.381 -9.273 17.168 75 HD11 LEU 15 1HD1 LEU 15 0.649 -11.621 16.929 76 HD12 LEU 15 2HD1 LEU 15 2.186 -10.767 16.794 77 HD13 LEU 15 3HD1 LEU 15 0.896 -10.453 15.632 78 HD21 LEU 15 3HD2 LEU 15 -0.432 -10.814 18.983 79 HD22 LEU 15 1HD2 LEU 15 0.122 -9.268 19.625 80 HD23 LEU 15 2HD2 LEU 15 1.280 -10.563 19.324 81 H TRP 16 H TRP 16 3.083 -5.848 17.157 82 HA TRP 16 HA TRP 16 2.999 -4.265 19.631 83 HB2 TRP 16 2HB TRP 16 4.790 -6.425 19.089 84 HB3 TRP 16 1HB TRP 16 5.716 -4.927 19.098 85 HD1 TRP 16 HD TRP 16 4.066 -7.397 21.377 86 HE1 TRP 16 1HE TRP 16 4.346 -6.658 23.826 87 HE3 TRP 16 3HE TRP 16 5.828 -2.646 20.612 88 HZ2 TRP 16 2HZ TRP 16 5.196 -4.377 25.245 89 HZ3 TRP 16 3HZ TRP 16 6.349 -1.257 22.574 90 HH2 TRP 16 HH TRP 16 6.038 -2.106 24.842 91 H ASP 17 H ASP 17 4.122 -2.303 19.583 92 HA ASP 17 HA ASP 17 4.664 -1.299 16.880 93 HB2 ASP 17 2HB ASP 17 4.388 0.989 17.983 94 HB3 ASP 17 1HB ASP 17 2.939 0.003 17.857 95 HA PRO 18 HA PRO 18 9.000 -0.664 17.757 96 HB2 PRO 18 2HB PRO 18 8.975 2.045 16.610 97 HB3 PRO 18 1HB PRO 18 9.811 0.598 16.041 98 HG2 PRO 18 2HG PRO 18 7.710 1.610 14.719 99 HG3 PRO 18 1HG PRO 18 7.985 -0.139 14.827 100 HD2 PRO 18 2HD PRO 18 6.093 1.579 16.400 101 HD3 PRO 18 1HD PRO 18 5.815 -0.007 15.648 102 H ALA 19 H ALA 19 10.177 -0.037 19.453 103 HA ALA 19 HA ALA 19 9.133 2.099 21.173 104 HB1 ALA 19 3HB ALA 19 11.212 0.051 21.901 105 HB2 ALA 19 1HB ALA 19 9.478 -0.227 22.069 106 HB3 ALA 19 2HB ALA 19 10.257 1.065 22.984 107 H SER 20 H SER 20 11.780 1.355 19.100 108 HA SER 20 HA SER 20 13.248 3.710 20.084 109 HB2 SER 20 2HB SER 20 14.160 1.005 19.382 110 HB3 SER 20 1HB SER 20 15.114 2.294 18.649 111 HG SER 20 HG SER 20 15.400 3.165 20.745 112 HA PRO 21 HA PRO 21 12.795 5.489 16.006 113 HB2 PRO 21 2HB PRO 21 15.508 6.580 16.002 114 HB3 PRO 21 1HB PRO 21 13.968 7.433 16.129 115 HG2 PRO 21 2HG PRO 21 15.688 7.254 18.201 116 HG3 PRO 21 1HG PRO 21 13.929 7.290 18.430 117 HD2 PRO 21 2HD PRO 21 15.791 4.936 18.446 118 HD3 PRO 21 1HD PRO 21 14.459 5.325 19.552 119 H ALA 22 H ALA 22 13.626 5.556 13.797 120 HA ALA 22 HA ALA 22 15.027 3.094 13.108 121 HB1 ALA 22 3HB ALA 22 13.106 3.295 11.826 122 HB2 ALA 22 1HB ALA 22 14.355 3.895 10.734 123 HB3 ALA 22 2HB ALA 22 13.319 5.030 11.597 124 HA PRO 23 HA PRO 23 18.915 5.016 12.091 125 HB2 PRO 23 2HB PRO 23 19.746 3.518 9.958 126 HB3 PRO 23 1HB PRO 23 19.806 2.954 11.631 127 HG2 PRO 23 2HG PRO 23 17.779 2.376 9.504 128 HG3 PRO 23 1HG PRO 23 18.505 1.272 10.689 129 HD2 PRO 23 2HD PRO 23 16.030 2.303 11.010 130 HD3 PRO 23 1HD PRO 23 17.101 1.969 12.386 131 H THR 24 H THR 24 20.166 6.068 10.315 132 HA THR 24 HA THR 24 18.387 7.670 8.678 133 HB THR 24 HB THR 24 20.069 8.889 9.901 134 HG1 THR 24 1HG THR 24 20.049 10.141 8.214 135 HG21 THR 24 1HG2 THR 24 21.820 7.218 10.141 136 HG22 THR 24 2HG2 THR 24 22.487 8.676 9.407 137 HG23 THR 24 3HG2 THR 24 22.140 7.266 8.407 138 H SER 25 H SER 25 20.969 5.311 8.196 139 HA SER 25 HA SER 25 20.717 5.517 5.291 140 HB2 SER 25 2HB SER 25 22.640 3.873 5.305 141 HB3 SER 25 1HB SER 25 22.988 5.432 6.051 142 HG SER 25 HG SER 25 22.050 3.320 7.644 143 H GLY 26 H GLY 26 19.494 4.188 4.144 144 HA2 GLY 26 2HA GLY 26 19.237 1.456 4.357 145 HA3 GLY 26 1HA GLY 26 17.969 2.111 5.381 146 HA PRO 27 HA PRO 27 16.165 1.934 1.128 147 HB2 PRO 27 2HB PRO 27 13.755 0.910 1.780 148 HB3 PRO 27 1HB PRO 27 15.187 -0.100 1.562 149 HG2 PRO 27 2HG PRO 27 13.868 0.805 4.078 150 HG3 PRO 27 1HG PRO 27 14.652 -0.741 3.716 151 HD2 PRO 27 2HD PRO 27 15.803 1.337 5.150 152 HD3 PRO 27 1HD PRO 27 16.699 0.032 4.354 153 H ARG 28 H ARG 28 15.181 3.598 0.189 154 HA ARG 28 HA ARG 28 13.251 5.202 1.711 155 HB2 ARG 28 2HB ARG 28 15.824 6.067 1.123 156 HB3 ARG 28 1HB ARG 28 14.832 6.824 -0.117 157 HG2 ARG 28 2HG ARG 28 13.314 7.530 1.845 158 HG3 ARG 28 1HG ARG 28 14.717 7.161 2.852 159 HD2 ARG 28 2HD ARG 28 16.013 8.662 1.204 160 HD3 ARG 28 1HD ARG 28 14.423 9.243 0.714 161 HE ARG 28 HE ARG 28 14.098 9.907 3.073 162 HH11 ARG 28 1HH1 ARG 28 17.389 9.490 1.910 163 HH12 ARG 28 2HH1 ARG 28 18.064 10.549 3.103 164 HH21 ARG 28 1HH2 ARG 28 15.007 11.286 4.622 165 HH22 ARG 28 2HH2 ARG 28 16.717 11.564 4.635 166 HA PRO 29 HA PRO 29 12.270 5.740 -3.034 167 HB2 PRO 29 2HB PRO 29 13.819 3.657 -4.411 168 HB3 PRO 29 1HB PRO 29 13.682 5.377 -4.786 169 HG2 PRO 29 2HG PRO 29 15.953 4.329 -3.815 170 HG3 PRO 29 1HG PRO 29 15.412 5.958 -3.363 171 HD2 PRO 29 2HD PRO 29 15.138 3.385 -1.837 172 HD3 PRO 29 1HD PRO 29 15.668 4.980 -1.260 173 H ARG 30 H ARG 30 11.056 4.369 -4.681 174 HA ARG 30 HA ARG 30 9.616 2.738 -5.313 175 HB2 ARG 30 2HB ARG 30 11.541 1.223 -4.009 176 HB3 ARG 30 1HB ARG 30 10.033 0.733 -3.247 177 HG2 ARG 30 2HG ARG 30 9.094 0.285 -5.493 178 HG3 ARG 30 1HG ARG 30 10.671 0.665 -6.188 179 HD2 ARG 30 2HD ARG 30 11.073 -1.203 -4.090 180 HD3 ARG 30 1HD ARG 30 9.760 -1.805 -5.100 181 HE ARG 30 HE ARG 30 12.384 -1.030 -6.204 182 HH11 ARG 30 1HH1 ARG 30 9.716 -3.309 -6.012 183 HH12 ARG 30 2HH1 ARG 30 10.374 -4.353 -7.227 184 HH21 ARG 30 1HH2 ARG 30 13.223 -2.414 -7.787 185 HH22 ARG 30 2HH2 ARG 30 12.357 -3.847 -8.230 186 H LEU 31 H LEU 31 9.689 3.920 -2.094 187 HA LEU 31 HA LEU 31 6.788 3.837 -1.967 188 HB2 LEU 31 2HB LEU 31 8.548 2.242 -0.199 189 HB3 LEU 31 1HB LEU 31 7.316 3.171 0.624 190 HG LEU 31 HG LEU 31 6.260 1.137 0.374 191 HD11 LEU 31 1HD1 LEU 31 5.442 2.157 -2.311 192 HD12 LEU 31 2HD1 LEU 31 5.020 3.037 -0.840 193 HD13 LEU 31 3HD1 LEU 31 4.479 1.373 -1.062 194 HD21 LEU 31 3HD2 LEU 31 7.791 0.871 -2.173 195 HD22 LEU 31 1HD2 LEU 31 6.370 -0.129 -1.867 196 HD23 LEU 31 2HD2 LEU 31 7.748 -0.195 -0.768 197 H TRP 32 H TRP 32 6.316 5.891 -1.767 198 HA TRP 32 HA TRP 32 7.404 7.442 0.440 199 HB2 TRP 32 2HB TRP 32 8.007 9.380 -0.966 200 HB3 TRP 32 1HB TRP 32 8.981 7.977 -1.366 201 HD1 TRP 32 HD TRP 32 8.056 6.611 -3.685 202 HE1 TRP 32 1HE TRP 32 7.226 7.654 -5.881 203 HE3 TRP 32 3HE TRP 32 6.919 11.314 -2.000 204 HZ2 TRP 32 2HZ TRP 32 6.228 10.124 -6.792 205 HZ3 TRP 32 3HZ TRP 32 6.032 12.953 -3.605 206 HH2 TRP 32 HH TRP 32 5.695 12.369 -5.952 207 H GLU 33 H GLU 33 6.178 9.465 0.817 208 HA GLU 33 HA GLU 33 3.390 9.036 0.672 209 HB2 GLU 33 2HB GLU 33 5.143 11.263 1.598 210 HB3 GLU 33 1HB GLU 33 3.431 11.591 1.372 211 HG2 GLU 33 2HG GLU 33 2.900 9.734 2.899 212 HG3 GLU 33 1HG GLU 33 4.625 9.491 3.164 213 H GLY 34 H GLY 34 2.118 9.230 -1.019 214 HA2 GLY 34 2HA GLY 34 0.981 10.476 -2.674 215 HA3 GLY 34 1HA GLY 34 2.378 11.531 -2.817 216 H GLN 35 H GLN 35 2.667 8.053 -2.775 217 HA GLN 35 HA GLN 35 3.642 8.125 -5.541 218 HB2 GLN 35 2HB GLN 35 5.375 7.158 -4.390 219 HB3 GLN 35 1HB GLN 35 4.334 6.587 -3.096 220 HG2 GLN 35 2HG GLN 35 4.496 4.520 -3.908 221 HG3 GLN 35 1HG GLN 35 3.704 5.060 -5.391 222 HE21 GLN 35 1HE2 GLN 35 5.821 3.089 -4.828 223 HE22 GLN 35 2HE2 GLN 35 7.138 3.513 -5.855 224 H ASP 36 H ASP 36 2.363 7.340 -7.106 225 HA ASP 36 HA ASP 36 -0.102 6.016 -6.509 226 HB2 ASP 36 2HB ASP 36 1.309 6.565 -9.118 227 HB3 ASP 36 1HB ASP 36 -0.217 5.702 -9.034 228 H VAL 37 H VAL 37 -0.184 4.050 -5.819 229 HA VAL 37 HA VAL 37 1.752 2.061 -6.789 230 HB VAL 37 HB VAL 37 1.224 0.834 -4.671 231 HG11 VAL 37 1HG1 VAL 37 3.254 2.162 -4.939 232 HG12 VAL 37 2HG1 VAL 37 2.677 2.189 -3.273 233 HG13 VAL 37 3HG1 VAL 37 2.403 3.577 -4.323 234 HG21 VAL 37 3HG2 VAL 37 -0.954 2.199 -4.311 235 HG22 VAL 37 1HG2 VAL 37 0.105 3.386 -3.549 236 HG23 VAL 37 2HG2 VAL 37 0.006 1.747 -2.906 237 H LEU 38 H LEU 38 1.049 -0.162 -6.745 238 HA LEU 38 HA LEU 38 -1.791 -0.491 -7.423 239 HB2 LEU 38 2HB LEU 38 0.641 -1.839 -8.578 240 HB3 LEU 38 1HB LEU 38 -0.994 -2.400 -8.863 241 HG LEU 38 HG LEU 38 -0.078 0.380 -9.580 242 HD11 LEU 38 1HD1 LEU 38 1.286 -0.770 -10.997 243 HD12 LEU 38 2HD1 LEU 38 -0.191 -0.742 -11.960 244 HD13 LEU 38 3HD1 LEU 38 0.236 -2.186 -11.042 245 HD21 LEU 38 3HD2 LEU 38 -2.585 -1.017 -9.623 246 HD22 LEU 38 1HD2 LEU 38 -2.119 -0.541 -11.256 247 HD23 LEU 38 2HD2 LEU 38 -2.239 0.673 -9.983 248 H ALA 39 H ALA 39 -2.611 -1.197 -5.638 249 HA ALA 39 HA ALA 39 -1.249 -3.173 -3.985 250 HB1 ALA 39 3HB ALA 39 -2.617 -2.470 -2.271 251 HB2 ALA 39 1HB ALA 39 -3.950 -2.073 -3.347 252 HB3 ALA 39 2HB ALA 39 -2.554 -1.000 -3.241 253 H ARG 40 H ARG 40 -1.473 -5.183 -4.695 254 HA ARG 40 HA ARG 40 -3.670 -6.137 -6.243 255 HB2 ARG 40 2HB ARG 40 -1.077 -6.953 -5.715 256 HB3 ARG 40 1HB ARG 40 -2.045 -8.151 -4.883 257 HG2 ARG 40 2HG ARG 40 -2.758 -9.105 -6.798 258 HG3 ARG 40 1HG ARG 40 -2.902 -7.560 -7.635 259 HD2 ARG 40 2HD ARG 40 -0.544 -7.484 -8.040 260 HD3 ARG 40 1HD ARG 40 -0.275 -8.899 -7.022 261 HE ARG 40 HE ARG 40 -2.042 -9.397 -9.232 262 HH11 ARG 40 1HH1 ARG 40 1.336 -9.299 -8.272 263 HH12 ARG 40 2HH1 ARG 40 1.844 -10.371 -9.534 264 HH21 ARG 40 1HH2 ARG 40 -1.352 -10.800 -10.877 265 HH22 ARG 40 2HH2 ARG 40 0.323 -11.219 -11.006 266 H TRP 41 H TRP 41 -5.601 -6.785 -5.527 267 HA TRP 41 HA TRP 41 -6.006 -7.219 -2.679 268 HB2 TRP 41 2HB TRP 41 -7.483 -5.703 -4.072 269 HB3 TRP 41 1HB TRP 41 -8.145 -7.151 -4.823 270 HD1 TRP 41 HD TRP 41 -10.379 -7.778 -3.779 271 HE1 TRP 41 1HE TRP 41 -11.467 -7.646 -1.456 272 HE3 TRP 41 3HE TRP 41 -6.527 -5.611 -1.184 273 HZ2 TRP 41 2HZ TRP 41 -10.795 -6.748 1.127 274 HZ3 TRP 41 3HZ TRP 41 -6.841 -5.151 1.210 275 HH2 TRP 41 HH TRP 41 -8.932 -5.707 2.341 276 H THR 42 H THR 42 -7.385 -8.992 -1.920 277 HA THR 42 HA THR 42 -6.316 -11.493 -2.750 278 HB THR 42 HB THR 42 -6.715 -11.104 -0.408 279 HG1 THR 42 1HG THR 42 -7.061 -13.280 -1.416 280 HG21 THR 42 1HG2 THR 42 -9.661 -10.961 -1.081 281 HG22 THR 42 2HG2 THR 42 -8.659 -9.645 -0.469 282 HG23 THR 42 3HG2 THR 42 -8.996 -11.044 0.552 283 H ASP 43 H ASP 43 -8.843 -9.831 -4.139 284 HA ASP 43 HA ASP 43 -10.462 -12.189 -4.731 285 HB2 ASP 43 2HB ASP 43 -10.803 -9.255 -5.360 286 HB3 ASP 43 1HB ASP 43 -11.847 -10.494 -6.051 287 H GLY 44 H GLY 44 -7.648 -11.070 -5.848 288 HA2 GLY 44 2HA GLY 44 -6.482 -11.895 -7.713 289 HA3 GLY 44 1HA GLY 44 -8.017 -12.280 -8.474 290 H LEU 45 H LEU 45 -8.662 -9.342 -7.475 291 HA LEU 45 HA LEU 45 -7.879 -8.094 -9.995 292 HB2 LEU 45 2HB LEU 45 -9.881 -7.314 -7.882 293 HB3 LEU 45 1HB LEU 45 -9.516 -6.329 -9.292 294 HG LEU 45 HG LEU 45 -10.175 -9.034 -10.075 295 HD11 LEU 45 1HD1 LEU 45 -12.516 -9.023 -9.431 296 HD12 LEU 45 2HD1 LEU 45 -12.267 -7.545 -8.502 297 HD13 LEU 45 3HD1 LEU 45 -11.473 -9.041 -8.009 298 HD21 LEU 45 3HD2 LEU 45 -11.845 -7.817 -11.443 299 HD22 LEU 45 1HD2 LEU 45 -10.206 -7.190 -11.613 300 HD23 LEU 45 2HD2 LEU 45 -11.383 -6.327 -10.622 301 H LEU 46 H LEU 46 -6.915 -6.066 -10.105 302 HA LEU 46 HA LEU 46 -5.079 -5.446 -7.946 303 HB2 LEU 46 2HB LEU 46 -4.389 -5.595 -10.356 304 HB3 LEU 46 1HB LEU 46 -5.404 -4.205 -10.681 305 HG LEU 46 HG LEU 46 -3.928 -2.873 -9.158 306 HD11 LEU 46 1HD1 LEU 46 -1.601 -4.485 -9.360 307 HD12 LEU 46 2HD1 LEU 46 -2.858 -5.442 -8.580 308 HD13 LEU 46 3HD1 LEU 46 -2.395 -3.881 -7.904 309 HD21 LEU 46 3HD2 LEU 46 -1.938 -3.299 -10.945 310 HD22 LEU 46 1HD2 LEU 46 -3.390 -2.357 -11.267 311 HD23 LEU 46 2HD2 LEU 46 -3.311 -4.040 -11.768 312 H TYR 47 H TYR 47 -4.719 -3.144 -7.342 313 HA TYR 47 HA TYR 47 -7.119 -1.449 -7.427 314 HB2 TYR 47 2HB TYR 47 -5.647 -2.358 -4.947 315 HB3 TYR 47 1HB TYR 47 -6.569 -0.868 -4.969 316 HD1 TYR 47 1HD TYR 47 -8.561 -2.932 -6.929 317 HD2 TYR 47 2HD TYR 47 -7.239 -2.537 -2.905 318 HE1 TYR 47 1HE TYR 47 -10.548 -4.140 -6.167 319 HE2 TYR 47 2HE TYR 47 -9.224 -3.755 -2.136 320 HH TYR 47 HH TYR 47 -11.911 -4.233 -3.958 321 H LEU 48 H LEU 48 -6.610 0.628 -7.880 322 HA LEU 48 HA LEU 48 -3.784 1.385 -7.866 323 HB2 LEU 48 2HB LEU 48 -4.939 1.769 -9.954 324 HB3 LEU 48 1HB LEU 48 -6.205 2.671 -9.146 325 HG LEU 48 HG LEU 48 -4.326 4.342 -8.521 326 HD11 LEU 48 1HD1 LEU 48 -2.499 4.420 -10.207 327 HD12 LEU 48 2HD1 LEU 48 -2.987 2.812 -10.745 328 HD13 LEU 48 3HD1 LEU 48 -2.396 3.051 -9.100 329 HD21 LEU 48 3HD2 LEU 48 -4.506 5.400 -10.809 330 HD22 LEU 48 1HD2 LEU 48 -6.029 5.010 -10.009 331 HD23 LEU 48 2HD2 LEU 48 -5.417 3.971 -11.297 332 H GLY 49 H GLY 49 -2.944 2.862 -6.535 333 HA2 GLY 49 2HA GLY 49 -4.680 4.644 -5.016 334 HA3 GLY 49 1HA GLY 49 -3.830 3.436 -4.081 335 H THR 50 H THR 50 -3.323 5.757 -3.234 336 HA THR 50 HA THR 50 -0.630 6.416 -4.217 337 HB THR 50 HB THR 50 -1.833 8.713 -2.941 338 HG1 THR 50 1HG THR 50 -3.016 8.320 -5.443 339 HG21 THR 50 1HG2 THR 50 -0.821 8.338 -5.763 340 HG22 THR 50 2HG2 THR 50 0.209 8.646 -4.366 341 HG23 THR 50 3HG2 THR 50 -0.963 9.859 -4.882 342 H ILE 51 H ILE 51 0.877 6.677 -2.658 343 HA ILE 51 HA ILE 51 0.355 5.455 -0.156 344 HB ILE 51 HB ILE 51 2.842 6.859 -1.131 345 HG12 ILE 51 2HG1 ILE 51 2.084 4.934 -2.505 346 HG13 ILE 51 1HG1 ILE 51 3.637 4.639 -1.739 347 HG21 ILE 51 1HG2 ILE 51 2.374 5.191 1.329 348 HG22 ILE 51 2HG2 ILE 51 3.150 6.769 1.194 349 HG23 ILE 51 3HG2 ILE 51 3.973 5.329 0.594 350 HD11 ILE 51 3HD1 ILE 51 1.187 3.151 -1.562 351 HD12 ILE 51 1HD1 ILE 51 1.735 3.630 0.041 352 HD13 ILE 51 2HD1 ILE 51 2.798 2.712 -1.018 353 H LYS 52 H LYS 52 -0.516 6.261 1.530 354 HA LYS 52 HA LYS 52 -0.400 9.128 2.090 355 HB2 LYS 52 2HB LYS 52 -2.438 7.259 2.286 356 HB3 LYS 52 1HB LYS 52 -1.920 7.458 3.953 357 HG2 LYS 52 2HG LYS 52 -2.345 9.953 2.430 358 HG3 LYS 52 1HG LYS 52 -3.780 8.992 2.782 359 HD2 LYS 52 2HD LYS 52 -3.280 9.033 5.145 360 HD3 LYS 52 1HD LYS 52 -1.758 9.872 4.840 361 HE2 LYS 52 2HE LYS 52 -3.096 11.737 3.834 362 HE3 LYS 52 1HE LYS 52 -4.549 10.917 4.402 363 HZ1 LYS 52 3HZ LYS 52 -3.983 12.522 6.018 364 HZ2 LYS 52 1HZ LYS 52 -2.357 12.054 6.041 365 HZ3 LYS 52 2HZ LYS 52 -3.543 11.028 6.676 366 H LYS 53 H LYS 53 0.785 6.060 3.230 367 HA LYS 53 HA LYS 53 2.490 7.393 5.170 368 HB2 LYS 53 2HB LYS 53 0.156 6.064 6.028 369 HB3 LYS 53 1HB LYS 53 1.478 4.970 6.393 370 HG2 LYS 53 2HG LYS 53 1.661 7.847 7.197 371 HG3 LYS 53 1HG LYS 53 0.694 6.725 8.151 372 HD2 LYS 53 2HD LYS 53 2.615 6.302 9.246 373 HD3 LYS 53 1HD LYS 53 3.042 5.335 7.834 374 HE2 LYS 53 2HE LYS 53 4.891 6.719 8.125 375 HE3 LYS 53 1HE LYS 53 3.962 7.533 6.867 376 HZ1 LYS 53 3HZ LYS 53 4.133 9.318 8.167 377 HZ2 LYS 53 1HZ LYS 53 4.624 8.421 9.514 378 HZ3 LYS 53 2HZ LYS 53 2.978 8.590 9.166 379 H VAL 54 H VAL 54 4.245 5.984 5.924 380 HA VAL 54 HA VAL 54 4.749 3.655 4.211 381 HB VAL 54 HB VAL 54 6.719 5.934 4.596 382 HG11 VAL 54 1HG1 VAL 54 7.212 3.480 2.932 383 HG12 VAL 54 2HG1 VAL 54 7.711 3.579 4.621 384 HG13 VAL 54 3HG1 VAL 54 8.365 4.715 3.439 385 HG21 VAL 54 3HG2 VAL 54 4.745 5.807 2.755 386 HG22 VAL 54 1HG2 VAL 54 6.036 4.968 1.896 387 HG23 VAL 54 2HG2 VAL 54 6.289 6.613 2.480 388 H ASP 55 H ASP 55 5.659 1.993 5.185 389 HA ASP 55 HA ASP 55 6.819 2.327 7.868 390 HB2 ASP 55 2HB ASP 55 4.740 0.421 6.883 391 HB3 ASP 55 1HB ASP 55 5.921 -0.192 8.042 392 H SER 56 H SER 56 8.869 2.483 6.870 393 HA SER 56 HA SER 56 9.912 0.438 5.159 394 HB2 SER 56 2HB SER 56 10.579 2.896 5.202 395 HB3 SER 56 1HB SER 56 11.525 2.511 6.640 396 HG SER 56 HG SER 56 12.878 1.322 5.457 397 H ALA 57 H ALA 57 9.259 0.241 8.357 398 HA ALA 57 HA ALA 57 11.704 -1.112 9.183 399 HB1 ALA 57 3HB ALA 57 10.726 0.335 10.817 400 HB2 ALA 57 1HB ALA 57 10.533 -1.326 11.374 401 HB3 ALA 57 2HB ALA 57 9.162 -0.469 10.669 402 H ARG 58 H ARG 58 8.284 -1.888 8.628 403 HA ARG 58 HA ARG 58 8.921 -4.753 8.822 404 HB2 ARG 58 2HB ARG 58 6.321 -3.250 9.129 405 HB3 ARG 58 1HB ARG 58 6.391 -5.000 8.993 406 HG2 ARG 58 2HG ARG 58 8.025 -3.631 11.082 407 HG3 ARG 58 1HG ARG 58 6.292 -3.840 11.336 408 HD2 ARG 58 2HD ARG 58 7.660 -6.259 10.404 409 HD3 ARG 58 1HD ARG 58 8.218 -5.679 11.971 410 HE ARG 58 HE ARG 58 5.648 -5.643 12.431 411 HH11 ARG 58 1HH1 ARG 58 7.400 -8.104 10.640 412 HH12 ARG 58 2HH1 ARG 58 6.286 -9.362 11.056 413 HH21 ARG 58 1HH2 ARG 58 4.205 -7.307 12.964 414 HH22 ARG 58 2HH2 ARG 58 4.479 -8.911 12.370 415 H GLU 59 H GLU 59 8.936 -2.587 6.476 416 HA GLU 59 HA GLU 59 8.695 -2.555 4.216 417 HB2 GLU 59 2HB GLU 59 8.537 -5.540 4.654 418 HB3 GLU 59 1HB GLU 59 8.475 -4.825 3.051 419 HG2 GLU 59 2HG GLU 59 10.722 -4.071 4.848 420 HG3 GLU 59 1HG GLU 59 10.738 -5.669 4.095 421 H VAL 60 H VAL 60 6.556 -1.688 5.442 422 HA VAL 60 HA VAL 60 4.320 -2.609 3.767 423 HB VAL 60 HB VAL 60 3.805 -1.688 6.588 424 HG11 VAL 60 1HG1 VAL 60 1.754 -1.733 5.633 425 HG12 VAL 60 2HG1 VAL 60 1.855 -3.441 6.060 426 HG13 VAL 60 3HG1 VAL 60 2.225 -2.921 4.419 427 HG21 VAL 60 3HG2 VAL 60 4.987 -3.517 7.271 428 HG22 VAL 60 1HG2 VAL 60 4.735 -4.381 5.756 429 HG23 VAL 60 2HG2 VAL 60 3.440 -4.296 6.948 430 H CYS 61 H CYS 61 2.625 -0.930 3.510 431 HA CYS 61 HA CYS 61 3.274 1.811 4.227 432 HB2 CYS 61 2HB CYS 61 3.514 0.782 1.429 433 HB3 CYS 61 1HB CYS 61 2.854 2.396 1.684 434 HG CYS 61 HG CYS 61 5.056 3.601 2.437 435 H LEU 62 H LEU 62 1.529 3.164 4.191 436 HA LEU 62 HA LEU 62 -1.064 1.885 3.725 437 HB2 LEU 62 2HB LEU 62 -0.206 3.491 5.799 438 HB3 LEU 62 1HB LEU 62 -1.062 4.617 4.774 439 HG LEU 62 HG LEU 62 -2.643 3.916 6.366 440 HD11 LEU 62 1HD1 LEU 62 -3.616 1.951 4.432 441 HD12 LEU 62 2HD1 LEU 62 -3.130 3.483 3.706 442 HD13 LEU 62 3HD1 LEU 62 -4.344 3.460 4.986 443 HD21 LEU 62 3HD2 LEU 62 -1.513 1.187 5.932 444 HD22 LEU 62 1HD2 LEU 62 -3.133 1.392 6.600 445 HD23 LEU 62 2HD2 LEU 62 -1.740 2.083 7.434 446 H VAL 63 H VAL 63 -2.419 2.545 2.163 447 HA VAL 63 HA VAL 63 -1.701 4.924 0.625 448 HB VAL 63 HB VAL 63 -0.956 3.766 -1.126 449 HG11 VAL 63 1HG1 VAL 63 -1.144 1.167 -1.103 450 HG12 VAL 63 2HG1 VAL 63 -1.600 1.427 0.579 451 HG13 VAL 63 3HG1 VAL 63 -0.041 2.002 -0.009 452 HG21 VAL 63 3HG2 VAL 63 -3.570 2.297 -1.242 453 HG22 VAL 63 1HG2 VAL 63 -2.399 2.482 -2.547 454 HG23 VAL 63 2HG2 VAL 63 -3.264 3.891 -1.932 455 H GLN 64 H GLN 64 -3.326 5.993 -0.360 456 HA GLN 64 HA GLN 64 -6.047 5.271 0.448 457 HB2 GLN 64 2HB GLN 64 -4.988 7.630 0.797 458 HB3 GLN 64 1HB GLN 64 -5.267 7.848 -0.924 459 HG2 GLN 64 2HG GLN 64 -7.402 8.374 -0.560 460 HG3 GLN 64 1HG GLN 64 -7.662 6.868 0.322 461 HE21 GLN 64 1HE2 GLN 64 -8.419 7.162 2.275 462 HE22 GLN 64 2HE2 GLN 64 -8.077 8.491 3.323 463 H PHE 65 H PHE 65 -7.714 5.103 -1.157 464 HA PHE 65 HA PHE 65 -6.659 4.591 -3.843 465 HB2 PHE 65 2HB PHE 65 -8.936 3.227 -2.401 466 HB3 PHE 65 1HB PHE 65 -8.385 2.856 -4.037 467 HD1 PHE 65 2HD PHE 65 -7.242 2.920 -0.487 468 HD2 PHE 65 1HD PHE 65 -6.657 1.368 -4.384 469 HE1 PHE 65 2HE PHE 65 -5.546 1.373 0.395 470 HE2 PHE 65 1HE PHE 65 -4.964 -0.185 -3.519 471 HZ PHE 65 HZ PHE 65 -4.416 -0.194 -1.129 472 H GLU 66 H GLU 66 -8.571 4.455 -5.518 473 HA GLU 66 HA GLU 66 -9.435 7.115 -5.908 474 HB2 GLU 66 2HB GLU 66 -9.019 5.032 -7.551 475 HB3 GLU 66 1HB GLU 66 -10.773 4.973 -7.445 476 HG2 GLU 66 2HG GLU 66 -10.540 6.360 -9.238 477 HG3 GLU 66 1HG GLU 66 -10.565 7.550 -7.938 478 H ASP 67 H ASP 67 -11.178 4.212 -4.765 479 HA ASP 67 HA ASP 67 -13.644 5.769 -4.667 480 HB2 ASP 67 2HB ASP 67 -13.572 3.400 -5.502 481 HB3 ASP 67 1HB ASP 67 -13.252 2.885 -3.858 482 H ASP 68 H ASP 68 -11.435 6.555 -2.975 483 HA ASP 68 HA ASP 68 -10.955 7.303 -0.902 484 HB2 ASP 68 2HB ASP 68 -13.947 7.319 -0.915 485 HB3 ASP 68 1HB ASP 68 -13.092 7.729 0.569 486 H SER 69 H SER 69 -10.113 4.903 -0.836 487 HA SER 69 HA SER 69 -11.113 3.739 1.680 488 HB2 SER 69 2HB SER 69 -11.301 2.461 -0.687 489 HB3 SER 69 1HB SER 69 -9.689 1.923 -0.195 490 HG SER 69 HG SER 69 -12.071 1.081 0.673 491 H GLN 70 H GLN 70 -9.674 3.251 3.220 492 HA GLN 70 HA GLN 70 -6.836 3.793 2.658 493 HB2 GLN 70 2HB GLN 70 -8.583 4.348 4.985 494 HB3 GLN 70 1HB GLN 70 -6.973 3.760 5.378 495 HG2 GLN 70 2HG GLN 70 -7.303 6.013 3.444 496 HG3 GLN 70 1HG GLN 70 -7.412 6.310 5.179 497 HE21 GLN 70 1HE2 GLN 70 -5.355 5.806 2.526 498 HE22 GLN 70 2HE2 GLN 70 -3.850 5.819 3.387 499 H PHE 71 H PHE 71 -6.122 1.866 1.992 500 HA PHE 71 HA PHE 71 -6.590 -0.459 3.740 501 HB2 PHE 71 2HB PHE 71 -6.669 -0.108 0.799 502 HB3 PHE 71 1HB PHE 71 -5.961 -1.604 1.363 503 HD1 PHE 71 1HD PHE 71 -8.551 -0.476 3.607 504 HD2 PHE 71 2HD PHE 71 -7.884 -2.421 -0.123 505 HE1 PHE 71 1HE PHE 71 -10.799 -1.446 3.714 506 HE2 PHE 71 2HE PHE 71 -10.137 -3.397 -0.013 507 HZ PHE 71 HZ PHE 71 -11.598 -2.908 1.905 508 H LEU 72 H LEU 72 -4.925 -1.266 4.720 509 HA LEU 72 HA LEU 72 -2.249 -0.332 4.317 510 HB2 LEU 72 2HB LEU 72 -3.250 -0.935 6.519 511 HB3 LEU 72 1HB LEU 72 -3.293 -2.614 6.014 512 HG LEU 72 HG LEU 72 -0.618 -1.443 5.824 513 HD11 LEU 72 1HD1 LEU 72 -1.432 -0.165 7.751 514 HD12 LEU 72 2HD1 LEU 72 -0.203 -1.340 8.213 515 HD13 LEU 72 3HD1 LEU 72 -1.904 -1.668 8.539 516 HD21 LEU 72 3HD2 LEU 72 -0.922 -3.796 5.616 517 HD22 LEU 72 1HD2 LEU 72 -1.833 -3.874 7.124 518 HD23 LEU 72 2HD2 LEU 72 -0.111 -3.506 7.155 519 H VAL 73 H VAL 73 -0.972 -1.040 2.721 520 HA VAL 73 HA VAL 73 -1.217 -3.853 1.836 521 HB VAL 73 HB VAL 73 0.086 -1.931 -0.010 522 HG11 VAL 73 1HG1 VAL 73 -0.308 -4.445 -0.332 523 HG12 VAL 73 2HG1 VAL 73 -0.666 -3.366 -1.678 524 HG13 VAL 73 3HG1 VAL 73 -1.977 -3.998 -0.681 525 HG21 VAL 73 3HG2 VAL 73 -2.046 -0.811 0.905 526 HG22 VAL 73 1HG2 VAL 73 -2.914 -2.042 -0.009 527 HG23 VAL 73 2HG2 VAL 73 -1.845 -0.915 -0.841 528 H LEU 74 H LEU 74 0.601 -5.004 1.275 529 HA LEU 74 HA LEU 74 3.028 -4.262 2.702 530 HB2 LEU 74 2HB LEU 74 2.315 -6.811 1.231 531 HB3 LEU 74 1HB LEU 74 3.759 -6.565 2.182 532 HG LEU 74 HG LEU 74 2.394 -7.867 3.549 533 HD11 LEU 74 1HD1 LEU 74 1.583 -5.169 4.550 534 HD12 LEU 74 2HD1 LEU 74 3.259 -5.713 4.601 535 HD13 LEU 74 3HD1 LEU 74 2.015 -6.614 5.466 536 HD21 LEU 74 3HD2 LEU 74 0.347 -7.731 2.260 537 HD22 LEU 74 1HD2 LEU 74 0.063 -6.092 2.847 538 HD23 LEU 74 2HD2 LEU 74 0.020 -7.451 3.970 539 H TRP 75 H TRP 75 5.098 -4.218 1.725 540 HA TRP 75 HA TRP 75 5.251 -2.960 -0.787 541 HB2 TRP 75 2HB TRP 75 7.381 -4.256 0.908 542 HB3 TRP 75 1HB TRP 75 7.742 -3.406 -0.582 543 HD1 TRP 75 HD TRP 75 5.074 -1.853 1.651 544 HE1 TRP 75 1HE TRP 75 6.012 0.277 2.730 545 HE3 TRP 75 3HE TRP 75 10.007 -2.332 0.316 546 HZ2 TRP 75 2HZ TRP 75 8.486 1.578 3.005 547 HZ3 TRP 75 3HZ TRP 75 11.587 -0.590 1.044 548 HH2 TRP 75 HH TRP 75 10.836 1.325 2.363 549 H LYS 76 H LYS 76 4.931 -6.273 -0.064 550 HA LYS 76 HA LYS 76 6.208 -7.216 -2.506 551 HB2 LYS 76 2HB LYS 76 5.245 -9.475 -1.732 552 HB3 LYS 76 1HB LYS 76 6.528 -8.756 -0.777 553 HG2 LYS 76 2HG LYS 76 4.935 -8.019 0.883 554 HG3 LYS 76 1HG LYS 76 3.593 -8.609 -0.099 555 HD2 LYS 76 2HD LYS 76 3.952 -10.772 0.490 556 HD3 LYS 76 1HD LYS 76 5.705 -10.576 0.523 557 HE2 LYS 76 2HE LYS 76 3.990 -9.303 2.621 558 HE3 LYS 76 1HE LYS 76 4.435 -11.004 2.743 559 HZ1 LYS 76 3HZ LYS 76 6.248 -10.220 3.756 560 HZ2 LYS 76 1HZ LYS 76 6.040 -8.648 3.166 561 HZ3 LYS 76 2HZ LYS 76 6.796 -9.820 2.207 562 H ASP 77 H ASP 77 2.992 -6.518 -1.332 563 HA ASP 77 HA ASP 77 1.705 -7.657 -3.693 564 HB2 ASP 77 2HB ASP 77 0.840 -6.798 -1.018 565 HB3 ASP 77 1HB ASP 77 -0.288 -6.403 -2.306 566 H ILE 78 H ILE 78 3.320 -4.900 -3.122 567 HA ILE 78 HA ILE 78 1.444 -3.148 -4.533 568 HB ILE 78 HB ILE 78 3.893 -2.496 -2.887 569 HG12 ILE 78 2HG1 ILE 78 1.055 -1.559 -2.471 570 HG13 ILE 78 1HG1 ILE 78 1.608 -3.109 -1.851 571 HG21 ILE 78 1HG2 ILE 78 2.670 -0.097 -3.368 572 HG22 ILE 78 2HG2 ILE 78 2.526 -0.902 -4.932 573 HG23 ILE 78 3HG2 ILE 78 4.113 -0.676 -4.199 574 HD11 ILE 78 3HD1 ILE 78 1.845 -0.564 -0.681 575 HD12 ILE 78 1HD1 ILE 78 3.469 -1.132 -1.062 576 HD13 ILE 78 2HD1 ILE 78 2.403 -2.119 -0.064 577 H SER 79 H SER 79 1.865 -2.244 -6.445 578 HA SER 79 HA SER 79 4.434 -2.769 -7.779 579 HB2 SER 79 2HB SER 79 1.997 -3.980 -8.465 580 HB3 SER 79 1HB SER 79 2.201 -2.687 -9.652 581 HG SER 79 HG SER 79 4.389 -3.572 -9.927 582 HA PRO 80 HA PRO 80 3.992 1.811 -7.837 583 HB2 PRO 80 2HB PRO 80 6.439 1.436 -9.518 584 HB3 PRO 80 1HB PRO 80 6.136 2.593 -8.215 585 HG2 PRO 80 2HG PRO 80 7.636 0.479 -7.739 586 HG3 PRO 80 1HG PRO 80 6.417 0.980 -6.548 587 HD2 PRO 80 2HD PRO 80 6.318 -1.268 -8.531 588 HD3 PRO 80 1HD PRO 80 5.769 -1.228 -6.841 589 H ALA 81 H ALA 81 2.588 2.742 -9.119 590 HA ALA 81 HA ALA 81 1.975 1.828 -11.752 591 HB1 ALA 81 3HB ALA 81 0.194 3.357 -11.709 592 HB2 ALA 81 1HB ALA 81 1.006 4.401 -10.542 593 HB3 ALA 81 2HB ALA 81 0.383 2.830 -10.037 594 H ALA 82 H ALA 82 1.738 3.372 -13.609 595 HA ALA 82 HA ALA 82 2.587 4.689 -15.233 596 HB1 ALA 82 3HB ALA 82 3.597 6.797 -14.704 597 HB2 ALA 82 1HB ALA 82 3.986 6.255 -13.071 598 HB3 ALA 82 2HB ALA 82 2.304 6.491 -13.544 599 H LEU 83 H LEU 83 4.125 4.313 -16.671 600 HA LEU 83 HA LEU 83 6.621 3.072 -15.760 601 HB2 LEU 83 2HB LEU 83 5.195 3.096 -18.413 602 HB3 LEU 83 1HB LEU 83 6.831 2.493 -18.233 603 HG LEU 83 HG LEU 83 5.512 1.094 -16.284 604 HD11 LEU 83 1HD1 LEU 83 3.462 0.245 -17.239 605 HD12 LEU 83 2HD1 LEU 83 3.649 1.292 -18.645 606 HD13 LEU 83 3HD1 LEU 83 3.353 1.996 -17.055 607 HD21 LEU 83 3HD2 LEU 83 6.026 0.387 -19.168 608 HD22 LEU 83 1HD2 LEU 83 5.576 -0.784 -17.927 609 HD23 LEU 83 2HD2 LEU 83 7.090 0.111 -17.788 610 HA ALA 331 HA ALA 331 -24.537 -3.411 -8.896 611 HB1 ALA 331 3HB ALA 331 -26.274 -2.146 -7.711 612 HB2 ALA 331 1HB ALA 331 -24.697 -1.365 -7.601 613 HB3 ALA 331 2HB ALA 331 -25.334 -2.264 -6.224 614 H THR 332 H THR 332 -22.421 -2.844 -8.897 615 HA THR 332 HA THR 332 -20.793 -3.629 -6.568 616 HB THR 332 HB THR 332 -19.404 -3.719 -9.159 617 HG1 THR 332 1HG THR 332 -20.925 -6.003 -8.724 618 HG21 THR 332 1HG2 THR 332 -18.496 -4.453 -6.938 619 HG22 THR 332 2HG2 THR 332 -18.380 -5.663 -8.215 620 HG23 THR 332 3HG2 THR 332 -19.637 -5.798 -6.985 621 H GLY 333 H GLY 333 -19.526 -2.094 -5.768 622 HA2 GLY 333 2HA GLY 333 -19.142 0.371 -7.344 623 HA3 GLY 333 1HA GLY 333 -19.174 0.296 -5.590 624 H GLY 334 H GLY 334 -17.169 1.466 -5.629 625 HA2 GLY 334 2HA GLY 334 -14.913 1.199 -4.976 626 HA3 GLY 334 1HA GLY 334 -14.873 -0.339 -5.820 627 H VAL 335 H VAL 335 -16.094 0.856 -8.238 628 HA VAL 335 HA VAL 335 -15.344 1.416 -10.284 629 HB VAL 335 HB VAL 335 -14.410 3.799 -10.481 630 HG11 VAL 335 1HG1 VAL 335 -16.645 4.743 -10.091 631 HG12 VAL 335 2HG1 VAL 335 -17.101 3.260 -9.254 632 HG13 VAL 335 3HG1 VAL 335 -16.684 3.214 -10.966 633 HG21 VAL 335 3HG2 VAL 335 -13.978 3.665 -7.788 634 HG22 VAL 335 1HG2 VAL 335 -15.541 4.481 -7.855 635 HG23 VAL 335 2HG2 VAL 335 -14.153 5.164 -8.702 636 H M3L 336 H M3L 336 -12.600 3.128 -8.781 637 HA M3L 336 HA M3L 336 -10.350 3.053 -9.167 638 HB2 M3L 336 1HB M3L 336 -9.227 1.014 -8.841 639 HB3 M3L 336 2HB M3L 336 -10.511 0.078 -9.585 640 HG2 M3L 336 1HG M3L 336 -10.998 -0.448 -7.455 641 HG3 M3L 336 2HG M3L 336 -11.841 1.100 -7.491 642 HD2 M3L 336 1HD M3L 336 -9.456 2.010 -6.795 643 HD3 M3L 336 2HD M3L 336 -9.283 0.371 -6.180 644 HE2 M3L 336 1HE M3L 336 -11.820 1.758 -5.504 645 HE3 M3L 336 2HE M3L 336 -10.380 2.418 -4.767 646 HM11 M3L 336 1HM1 M3L 336 -8.860 -0.206 -4.302 647 HM12 M3L 336 2HM1 M3L 336 -9.593 -0.683 -2.818 648 HM13 M3L 336 3HM1 M3L 336 -9.077 0.948 -3.035 649 HM21 M3L 336 1HM2 M3L 336 -10.950 -1.409 -5.128 650 HM22 M3L 336 2HM2 M3L 336 -12.424 -0.516 -5.223 651 HM23 M3L 336 3HM2 M3L 336 -12.010 -1.339 -3.763 652 HM31 M3L 336 3HM3 M3L 336 -12.709 0.869 -3.031 653 HM32 M3L 336 1HM3 M3L 336 -11.501 2.088 -2.825 654 HM33 M3L 336 2HM3 M3L 336 -11.358 0.580 -1.999 655 H LYS 337 H LYS 337 -8.609 2.731 -10.714 656 HA LYS 337 HA LYS 337 -9.348 1.776 -13.367 657 HB2 LYS 337 2HB LYS 337 -8.440 3.884 -14.441 658 HB3 LYS 337 1HB LYS 337 -9.993 4.050 -13.644 659 HG2 LYS 337 2HG LYS 337 -7.538 4.738 -12.100 660 HG3 LYS 337 1HG LYS 337 -8.076 5.850 -13.357 661 HD2 LYS 337 2HD LYS 337 -10.235 4.930 -11.603 662 HD3 LYS 337 1HD LYS 337 -8.968 5.819 -10.755 663 HE2 LYS 337 2HE LYS 337 -10.023 6.946 -13.305 664 HE3 LYS 337 1HE LYS 337 -11.025 7.058 -11.859 665 HZ1 LYS 337 3HZ LYS 337 -8.293 8.146 -12.235 666 HZ2 LYS 337 1HZ LYS 337 -9.063 8.068 -10.731 667 HZ3 LYS 337 2HZ LYS 337 -9.720 9.014 -11.970 668 HA PRO 338 HA PRO 338 -4.785 1.137 -12.084 669 HB2 PRO 338 2HB PRO 338 -5.414 -1.672 -11.558 670 HB3 PRO 338 1HB PRO 338 -4.630 -0.496 -10.501 671 HG2 PRO 338 2HG PRO 338 -7.085 -1.425 -9.986 672 HG3 PRO 338 1HG PRO 338 -6.624 0.256 -9.651 673 HD2 PRO 338 2HD PRO 338 -8.109 -0.846 -12.030 674 HD3 PRO 338 1HD PRO 338 -8.540 0.537 -10.997 675 H HIS 339 H HIS 339 -3.563 -1.179 -12.652 676 HA HIS 339 HA HIS 339 -3.385 -1.229 -15.485 677 HB2 HIS 339 2HB HIS 339 -1.316 -1.657 -14.637 678 HB3 HIS 339 1HB HIS 339 -1.978 -2.255 -13.127 679 HD1 HIS 339 1HD HIS 339 -1.508 -3.606 -16.659 680 HD2 HIS 339 2HD HIS 339 -1.381 -4.773 -12.677 681 HE1 HIS 339 1HE HIS 339 -0.714 -5.986 -16.685 682 HE2 HIS 339 2HE HIS 339 -0.789 -6.726 -14.278 683 H ARG 340 H ARG 340 -4.424 -3.631 -13.073 684 HA ARG 340 HA ARG 340 -5.495 -5.644 -13.218 685 HB2 ARG 340 2HB ARG 340 -7.167 -3.498 -13.683 686 HB3 ARG 340 1HB ARG 340 -7.623 -4.644 -14.936 687 HG2 ARG 340 2HG ARG 340 -7.966 -6.364 -13.220 688 HG3 ARG 340 1HG ARG 340 -7.542 -5.187 -11.975 689 HD2 ARG 340 2HD ARG 340 -9.799 -4.921 -11.914 690 HD3 ARG 340 1HD ARG 340 -9.448 -3.798 -13.227 691 HE ARG 340 HE ARG 340 -9.848 -6.295 -14.375 692 HH11 ARG 340 1HH1 ARG 340 -11.758 -3.969 -12.566 693 HH12 ARG 340 2HH1 ARG 340 -13.251 -4.452 -13.299 694 HH21 ARG 340 1HH2 ARG 340 -11.816 -6.912 -15.320 695 HH22 ARG 340 2HH2 ARG 340 -13.283 -6.117 -14.855 696 H TYR 341 H TYR 341 -4.509 -7.244 -14.283 697 HA TYR 341 HA TYR 341 -5.321 -7.726 -17.057 698 HB2 TYR 341 2HB TYR 341 -2.875 -6.738 -16.667 699 HB3 TYR 341 1HB TYR 341 -2.516 -8.428 -16.333 700 HD1 TYR 341 1HD TYR 341 -2.838 -10.127 -18.097 701 HD2 TYR 341 2HD TYR 341 -3.311 -5.978 -18.893 702 HE1 TYR 341 1HE TYR 341 -2.663 -10.578 -20.511 703 HE2 TYR 341 2HE TYR 341 -3.142 -6.413 -21.307 704 HH TYR 341 HH TYR 341 -3.579 -8.435 -22.850 Start of MODEL 20 1 HA SER 5 HA SER 5 -23.181 -1.070 -4.597 2 HB2 SER 5 2HB SER 5 -21.112 -1.204 -6.805 3 HB3 SER 5 1HB SER 5 -21.260 -2.371 -5.492 4 HG SER 5 HG SER 5 -22.787 -2.062 -7.762 5 H ARG 6 H ARG 6 -21.673 -1.334 -2.944 6 HA ARG 6 HA ARG 6 -20.193 -0.728 -1.342 7 HB2 ARG 6 2HB ARG 6 -18.756 -0.498 -3.730 8 HB3 ARG 6 1HB ARG 6 -18.404 0.982 -2.848 9 HG2 ARG 6 2HG ARG 6 -17.651 -0.295 -0.938 10 HG3 ARG 6 1HG ARG 6 -18.092 -1.802 -1.742 11 HD2 ARG 6 2HD ARG 6 -16.381 -1.584 -3.329 12 HD3 ARG 6 1HD ARG 6 -16.151 0.126 -2.973 13 HE ARG 6 HE ARG 6 -15.104 -0.519 -0.896 14 HH11 ARG 6 1HH1 ARG 6 -15.548 -3.142 -3.192 15 HH12 ARG 6 2HH1 ARG 6 -14.318 -4.127 -2.476 16 HH21 ARG 6 1HH2 ARG 6 -13.500 -1.828 0.022 17 HH22 ARG 6 2HH2 ARG 6 -13.161 -3.384 -0.659 18 H LEU 7 H LEU 7 -20.214 0.733 0.229 19 HA LEU 7 HA LEU 7 -21.351 3.370 -0.354 20 HB2 LEU 7 2HB LEU 7 -22.119 1.581 1.486 21 HB3 LEU 7 1HB LEU 7 -20.932 2.453 2.437 22 HG LEU 7 HG LEU 7 -22.364 4.522 1.418 23 HD11 LEU 7 1HD1 LEU 7 -24.692 4.034 1.449 24 HD12 LEU 7 2HD1 LEU 7 -24.402 2.381 1.991 25 HD13 LEU 7 3HD1 LEU 7 -23.931 2.871 0.364 26 HD21 LEU 7 3HD2 LEU 7 -21.802 4.377 3.717 27 HD22 LEU 7 1HD2 LEU 7 -22.785 2.930 3.937 28 HD23 LEU 7 2HD2 LEU 7 -23.560 4.484 3.634 29 H SER 8 H SER 8 -20.470 5.274 0.565 30 HA SER 8 HA SER 8 -17.560 5.182 0.832 31 HB2 SER 8 2HB SER 8 -19.444 7.521 0.445 32 HB3 SER 8 1HB SER 8 -17.687 7.643 0.525 33 HG SER 8 HG SER 8 -19.289 6.873 -1.544 34 H ARG 9 H ARG 9 -16.564 5.382 2.711 35 HA ARG 9 HA ARG 9 -17.971 6.635 4.974 36 HB2 ARG 9 2HB ARG 9 -16.916 3.911 4.741 37 HB3 ARG 9 1HB ARG 9 -16.340 4.764 6.166 38 HG2 ARG 9 2HG ARG 9 -18.568 5.130 6.935 39 HG3 ARG 9 1HG ARG 9 -19.245 4.521 5.423 40 HD2 ARG 9 2HD ARG 9 -18.309 2.310 5.900 41 HD3 ARG 9 1HD ARG 9 -17.637 2.920 7.413 42 HE ARG 9 HE ARG 9 -20.497 3.240 7.127 43 HH11 ARG 9 1HH1 ARG 9 -17.935 1.160 8.328 44 HH12 ARG 9 2HH1 ARG 9 -18.972 0.334 9.444 45 HH21 ARG 9 1HH2 ARG 9 -21.834 2.146 8.593 46 HH22 ARG 9 2HH2 ARG 9 -21.178 0.892 9.592 47 H SER 10 H SER 10 -16.648 7.632 6.544 48 HA SER 10 HA SER 10 -14.091 8.570 5.481 49 HB2 SER 10 2HB SER 10 -16.046 9.613 7.490 50 HB3 SER 10 1HB SER 10 -14.363 10.128 7.598 51 HG SER 10 HG SER 10 -16.198 10.511 5.487 52 H GLY 11 H GLY 11 -15.439 6.992 8.355 53 HA2 GLY 11 2HA GLY 11 -14.237 5.301 9.540 54 HA3 GLY 11 1HA GLY 11 -12.735 6.062 9.040 55 H ALA 12 H ALA 12 -11.684 6.950 10.661 56 HA ALA 12 HA ALA 12 -13.213 8.273 12.807 57 HB1 ALA 12 3HB ALA 12 -10.641 6.722 13.091 58 HB2 ALA 12 1HB ALA 12 -12.238 6.189 13.617 59 HB3 ALA 12 2HB ALA 12 -11.477 7.582 14.385 60 H SER 13 H SER 13 -12.313 10.134 13.730 61 HA SER 13 HA SER 13 -10.460 11.567 11.972 62 HB2 SER 13 2HB SER 13 -11.235 13.581 13.298 63 HB3 SER 13 1HB SER 13 -12.492 12.770 12.365 64 HG SER 13 HG SER 13 -12.027 12.676 15.152 65 H SER 14 H SER 14 -8.779 12.918 12.910 66 HA SER 14 HA SER 14 -7.394 11.538 15.064 67 HB2 SER 14 2HB SER 14 -5.513 13.125 14.441 68 HB3 SER 14 1HB SER 14 -6.024 12.014 13.170 69 HG SER 14 HG SER 14 -7.298 13.745 12.322 70 H LEU 15 H LEU 15 -7.337 12.196 17.090 71 HA LEU 15 HA LEU 15 -7.886 15.016 17.727 72 HB2 LEU 15 2HB LEU 15 -9.591 12.855 18.266 73 HB3 LEU 15 1HB LEU 15 -8.818 13.204 19.796 74 HG LEU 15 HG LEU 15 -10.971 14.327 19.622 75 HD11 LEU 15 1HD1 LEU 15 -8.537 15.595 20.269 76 HD12 LEU 15 2HD1 LEU 15 -10.152 15.936 20.890 77 HD13 LEU 15 3HD1 LEU 15 -9.557 16.789 19.467 78 HD21 LEU 15 3HD2 LEU 15 -10.134 14.895 16.960 79 HD22 LEU 15 1HD2 LEU 15 -10.473 16.416 17.787 80 HD23 LEU 15 2HD2 LEU 15 -11.708 15.158 17.709 81 H TRP 16 H TRP 16 -5.438 13.172 17.597 82 HA TRP 16 HA TRP 16 -4.369 13.892 20.239 83 HB2 TRP 16 2HB TRP 16 -2.959 11.765 20.100 84 HB3 TRP 16 1HB TRP 16 -4.663 11.557 20.476 85 HD1 TRP 16 HD TRP 16 -6.123 10.162 18.794 86 HE1 TRP 16 1HE TRP 16 -5.572 8.731 16.729 87 HE3 TRP 16 3HE TRP 16 -1.283 11.657 18.022 88 HZ2 TRP 16 2HZ TRP 16 -3.387 8.291 15.004 89 HZ3 TRP 16 3HZ TRP 16 -0.038 10.678 16.140 90 HH2 TRP 16 HH TRP 16 -1.069 9.029 14.663 91 H ASP 17 H ASP 17 -2.037 14.128 20.321 92 HA ASP 17 HA ASP 17 -1.013 15.384 17.905 93 HB2 ASP 17 2HB ASP 17 -0.444 15.531 20.801 94 HB3 ASP 17 1HB ASP 17 0.958 15.715 19.750 95 HA PRO 18 HA PRO 18 1.741 12.143 16.603 96 HB2 PRO 18 2HB PRO 18 4.073 13.493 16.044 97 HB3 PRO 18 1HB PRO 18 2.667 13.451 14.976 98 HG2 PRO 18 2HG PRO 18 3.496 15.561 16.935 99 HG3 PRO 18 1HG PRO 18 2.873 15.750 15.285 100 HD2 PRO 18 2HD PRO 18 1.298 16.129 17.416 101 HD3 PRO 18 1HD PRO 18 0.677 15.368 15.937 102 H ALA 19 H ALA 19 2.205 10.764 18.206 103 HA ALA 19 HA ALA 19 4.319 11.459 20.134 104 HB1 ALA 19 3HB ALA 19 2.275 9.262 20.407 105 HB2 ALA 19 1HB ALA 19 2.049 10.898 21.027 106 HB3 ALA 19 2HB ALA 19 3.356 9.891 21.651 107 H SER 20 H SER 20 4.273 10.129 17.268 108 HA SER 20 HA SER 20 5.545 7.581 17.762 109 HB2 SER 20 2HB SER 20 4.202 8.793 15.581 110 HB3 SER 20 1HB SER 20 5.843 8.430 15.043 111 HG SER 20 HG SER 20 4.411 6.486 16.468 112 HA PRO 21 HA PRO 21 9.689 9.384 18.125 113 HB2 PRO 21 2HB PRO 21 10.606 6.629 17.542 114 HB3 PRO 21 1HB PRO 21 10.974 7.666 18.924 115 HG2 PRO 21 2HG PRO 21 9.342 5.576 19.179 116 HG3 PRO 21 1HG PRO 21 9.024 7.096 20.037 117 HD2 PRO 21 2HD PRO 21 7.742 6.016 17.553 118 HD3 PRO 21 1HD PRO 21 7.004 6.839 18.943 119 H ALA 22 H ALA 22 11.589 9.700 16.856 120 HA ALA 22 HA ALA 22 12.735 10.210 14.975 121 HB1 ALA 22 3HB ALA 22 12.942 7.712 14.919 122 HB2 ALA 22 1HB ALA 22 13.130 8.513 13.360 123 HB3 ALA 22 2HB ALA 22 11.617 7.695 13.755 124 HA PRO 23 HA PRO 23 9.462 12.250 12.593 125 HB2 PRO 23 2HB PRO 23 10.867 14.431 11.854 126 HB3 PRO 23 1HB PRO 23 10.205 14.239 13.480 127 HG2 PRO 23 2HG PRO 23 13.007 13.893 12.517 128 HG3 PRO 23 1HG PRO 23 12.420 14.545 14.056 129 HD2 PRO 23 2HD PRO 23 13.389 11.970 13.673 130 HD3 PRO 23 1HD PRO 23 12.365 12.485 15.025 131 H THR 24 H THR 24 12.774 11.765 11.432 132 HA THR 24 HA THR 24 11.716 11.141 8.771 133 HB THR 24 HB THR 24 12.524 13.403 8.525 134 HG1 THR 24 1HG THR 24 14.213 12.994 6.951 135 HG21 THR 24 1HG2 THR 24 15.294 12.571 9.370 136 HG22 THR 24 2HG2 THR 24 14.142 13.278 10.502 137 HG23 THR 24 3HG2 THR 24 14.672 14.198 9.094 138 H SER 25 H SER 25 13.186 9.848 7.439 139 HA SER 25 HA SER 25 14.690 7.960 9.092 140 HB2 SER 25 2HB SER 25 12.819 7.329 7.369 141 HB3 SER 25 1HB SER 25 14.110 7.513 6.182 142 HG SER 25 HG SER 25 13.670 5.513 7.979 143 H GLY 26 H GLY 26 15.059 9.802 6.056 144 HA2 GLY 26 2HA GLY 26 17.221 11.037 5.880 145 HA3 GLY 26 1HA GLY 26 17.991 9.532 6.350 146 HA PRO 27 HA PRO 27 18.185 8.313 2.064 147 HB2 PRO 27 2HB PRO 27 17.104 5.634 2.421 148 HB3 PRO 27 1HB PRO 27 18.776 6.123 2.140 149 HG2 PRO 27 2HG PRO 27 17.935 5.078 4.496 150 HG3 PRO 27 1HG PRO 27 19.252 6.260 4.387 151 HD2 PRO 27 2HD PRO 27 16.371 6.696 5.111 152 HD3 PRO 27 1HD PRO 27 17.835 7.350 5.877 153 H ARG 28 H ARG 28 17.060 7.787 0.106 154 HA ARG 28 HA ARG 28 14.184 8.288 0.292 155 HB2 ARG 28 2HB ARG 28 16.032 9.496 -1.259 156 HB3 ARG 28 1HB ARG 28 15.521 8.224 -2.358 157 HG2 ARG 28 2HG ARG 28 13.405 9.084 -2.589 158 HG3 ARG 28 1HG ARG 28 13.439 9.883 -1.016 159 HD2 ARG 28 2HD ARG 28 15.362 10.798 -3.088 160 HD3 ARG 28 1HD ARG 28 13.667 11.244 -3.277 161 HE ARG 28 HE ARG 28 15.192 11.857 -0.828 162 HH11 ARG 28 1HH1 ARG 28 13.040 12.886 -3.409 163 HH12 ARG 28 2HH1 ARG 28 12.793 14.459 -2.729 164 HH21 ARG 28 1HH2 ARG 28 14.852 13.924 0.040 165 HH22 ARG 28 2HH2 ARG 28 13.819 15.046 -0.781 166 HA PRO 29 HA PRO 29 13.888 3.865 -0.776 167 HB2 PRO 29 2HB PRO 29 11.540 3.371 0.456 168 HB3 PRO 29 1HB PRO 29 13.063 3.488 1.341 169 HG2 PRO 29 2HG PRO 29 10.836 5.448 1.134 170 HG3 PRO 29 1HG PRO 29 11.929 5.125 2.489 171 HD2 PRO 29 2HD PRO 29 12.140 7.241 0.657 172 HD3 PRO 29 1HD PRO 29 13.400 6.703 1.783 173 H ARG 30 H ARG 30 12.061 2.531 -1.797 174 HA ARG 30 HA ARG 30 11.172 3.784 -4.179 175 HB2 ARG 30 2HB ARG 30 11.526 1.186 -3.324 176 HB3 ARG 30 1HB ARG 30 9.777 1.310 -3.470 177 HG2 ARG 30 2HG ARG 30 9.981 1.995 -5.779 178 HG3 ARG 30 1HG ARG 30 11.741 1.999 -5.646 179 HD2 ARG 30 2HD ARG 30 10.791 -0.529 -4.758 180 HD3 ARG 30 1HD ARG 30 10.024 -0.171 -6.305 181 HE ARG 30 HE ARG 30 12.848 0.321 -6.310 182 HH11 ARG 30 1HH1 ARG 30 10.424 -2.187 -6.727 183 HH12 ARG 30 2HH1 ARG 30 11.460 -3.187 -7.690 184 HH21 ARG 30 1HH2 ARG 30 14.185 -1.004 -7.570 185 HH22 ARG 30 2HH2 ARG 30 13.589 -2.517 -8.166 186 H LEU 31 H LEU 31 9.569 2.988 -1.150 187 HA LEU 31 HA LEU 31 6.976 3.945 -2.102 188 HB2 LEU 31 2HB LEU 31 7.958 2.425 0.269 189 HB3 LEU 31 1HB LEU 31 6.503 3.373 0.457 190 HG LEU 31 HG LEU 31 5.644 1.293 -0.030 191 HD11 LEU 31 1HD1 LEU 31 5.009 3.097 -1.777 192 HD12 LEU 31 2HD1 LEU 31 4.512 1.425 -2.010 193 HD13 LEU 31 3HD1 LEU 31 5.896 2.066 -2.893 194 HD21 LEU 31 3HD2 LEU 31 6.558 -0.237 -1.756 195 HD22 LEU 31 1HD2 LEU 31 7.653 0.083 -0.411 196 HD23 LEU 31 2HD2 LEU 31 7.907 0.879 -1.964 197 H TRP 32 H TRP 32 6.415 5.992 -1.913 198 HA TRP 32 HA TRP 32 7.305 7.581 0.373 199 HB2 TRP 32 2HB TRP 32 8.091 9.439 -1.022 200 HB3 TRP 32 1HB TRP 32 9.015 7.986 -1.369 201 HD1 TRP 32 HD TRP 32 8.044 6.622 -3.696 202 HE1 TRP 32 1HE TRP 32 7.376 7.681 -5.940 203 HE3 TRP 32 3HE TRP 32 7.262 11.442 -2.144 204 HZ2 TRP 32 2HZ TRP 32 6.633 10.209 -6.933 205 HZ3 TRP 32 3HZ TRP 32 6.577 13.116 -3.811 206 HH2 TRP 32 HH TRP 32 6.270 12.511 -6.157 207 H GLU 33 H GLU 33 6.075 9.595 0.636 208 HA GLU 33 HA GLU 33 3.307 9.235 0.276 209 HB2 GLU 33 2HB GLU 33 4.982 11.586 1.115 210 HB3 GLU 33 1HB GLU 33 3.242 11.740 0.931 211 HG2 GLU 33 2HG GLU 33 3.133 9.696 2.514 212 HG3 GLU 33 1HG GLU 33 4.794 10.129 2.913 213 H GLY 34 H GLY 34 2.167 9.374 -1.515 214 HA2 GLY 34 2HA GLY 34 1.192 10.606 -3.294 215 HA3 GLY 34 1HA GLY 34 2.660 11.564 -3.408 216 H GLN 35 H GLN 35 2.843 8.101 -3.125 217 HA GLN 35 HA GLN 35 3.891 7.955 -5.862 218 HB2 GLN 35 2HB GLN 35 5.536 7.108 -4.441 219 HB3 GLN 35 1HB GLN 35 4.367 6.419 -3.327 220 HG2 GLN 35 2HG GLN 35 4.919 4.436 -4.208 221 HG3 GLN 35 1HG GLN 35 3.989 4.933 -5.624 222 HE21 GLN 35 1HE2 GLN 35 6.427 3.244 -5.193 223 HE22 GLN 35 2HE2 GLN 35 7.591 3.864 -6.306 224 H ASP 36 H ASP 36 2.554 7.203 -7.386 225 HA ASP 36 HA ASP 36 0.075 5.931 -6.734 226 HB2 ASP 36 2HB ASP 36 1.441 6.305 -9.403 227 HB3 ASP 36 1HB ASP 36 -0.154 5.605 -9.214 228 H VAL 37 H VAL 37 -0.029 4.001 -6.003 229 HA VAL 37 HA VAL 37 1.851 1.939 -6.918 230 HB VAL 37 HB VAL 37 1.347 0.799 -4.753 231 HG11 VAL 37 1HG1 VAL 37 2.810 2.197 -3.396 232 HG12 VAL 37 2HG1 VAL 37 2.559 3.541 -4.507 233 HG13 VAL 37 3HG1 VAL 37 3.388 2.086 -5.059 234 HG21 VAL 37 3HG2 VAL 37 -0.825 2.174 -4.401 235 HG22 VAL 37 1HG2 VAL 37 0.242 3.387 -3.694 236 HG23 VAL 37 2HG2 VAL 37 0.157 1.771 -2.996 237 H LEU 38 H LEU 38 1.062 -0.280 -6.722 238 HA LEU 38 HA LEU 38 -1.795 -0.527 -7.356 239 HB2 LEU 38 2HB LEU 38 0.558 -1.979 -8.537 240 HB3 LEU 38 1HB LEU 38 -1.103 -2.495 -8.764 241 HG LEU 38 HG LEU 38 -0.087 0.226 -9.576 242 HD11 LEU 38 1HD1 LEU 38 1.073 -0.886 -11.134 243 HD12 LEU 38 2HD1 LEU 38 -0.501 -1.077 -11.906 244 HD13 LEU 38 3HD1 LEU 38 0.154 -2.375 -10.909 245 HD21 LEU 38 3HD2 LEU 38 -2.675 -1.066 -9.514 246 HD22 LEU 38 1HD2 LEU 38 -2.250 -0.520 -11.136 247 HD23 LEU 38 2HD2 LEU 38 -2.264 0.624 -9.794 248 H ALA 39 H ALA 39 -2.591 -1.126 -5.537 249 HA ALA 39 HA ALA 39 -1.299 -3.117 -3.854 250 HB1 ALA 39 3HB ALA 39 -2.735 -0.855 -3.297 251 HB2 ALA 39 1HB ALA 39 -2.471 -2.176 -2.163 252 HB3 ALA 39 2HB ALA 39 -3.960 -2.109 -3.093 253 H ARG 40 H ARG 40 -1.518 -5.073 -4.663 254 HA ARG 40 HA ARG 40 -3.724 -6.015 -6.186 255 HB2 ARG 40 2HB ARG 40 -1.115 -6.823 -5.625 256 HB3 ARG 40 1HB ARG 40 -2.122 -8.083 -4.940 257 HG2 ARG 40 2HG ARG 40 -3.319 -8.087 -7.214 258 HG3 ARG 40 1HG ARG 40 -1.922 -7.179 -7.786 259 HD2 ARG 40 2HD ARG 40 -1.664 -9.815 -6.366 260 HD3 ARG 40 1HD ARG 40 -1.865 -9.687 -8.112 261 HE ARG 40 HE ARG 40 0.305 -8.122 -7.013 262 HH11 ARG 40 1HH1 ARG 40 -0.593 -11.199 -8.452 263 HH12 ARG 40 2HH1 ARG 40 1.024 -11.567 -8.949 264 HH21 ARG 40 1HH2 ARG 40 2.412 -8.627 -7.674 265 HH22 ARG 40 2HH2 ARG 40 2.723 -10.113 -8.508 266 H TRP 41 H TRP 41 -5.571 -6.939 -5.562 267 HA TRP 41 HA TRP 41 -6.086 -7.317 -2.727 268 HB2 TRP 41 2HB TRP 41 -7.641 -6.020 -4.185 269 HB3 TRP 41 1HB TRP 41 -8.036 -7.510 -5.028 270 HD1 TRP 41 HD TRP 41 -7.769 -7.316 -1.158 271 HE1 TRP 41 1HE TRP 41 -10.095 -7.802 -0.171 272 HE3 TRP 41 3HE TRP 41 -10.458 -7.465 -5.482 273 HZ2 TRP 41 2HZ TRP 41 -12.731 -8.192 -1.109 274 HZ3 TRP 41 3HZ TRP 41 -12.886 -7.896 -5.363 275 HH2 TRP 41 HH TRP 41 -13.995 -8.252 -3.216 276 H THR 42 H THR 42 -7.099 -9.234 -1.892 277 HA THR 42 HA THR 42 -5.833 -11.616 -2.894 278 HB THR 42 HB THR 42 -5.826 -11.197 -0.504 279 HG1 THR 42 1HG THR 42 -5.712 -13.316 -0.639 280 HG21 THR 42 1HG2 THR 42 -8.826 -11.574 -0.549 281 HG22 THR 42 2HG2 THR 42 -7.994 -10.044 -0.275 282 HG23 THR 42 3HG2 THR 42 -7.822 -11.361 0.884 283 H ASP 43 H ASP 43 -8.211 -10.384 -4.375 284 HA ASP 43 HA ASP 43 -9.858 -12.825 -4.506 285 HB2 ASP 43 2HB ASP 43 -10.596 -10.024 -4.381 286 HB3 ASP 43 1HB ASP 43 -11.280 -10.807 -5.807 287 H GLY 44 H GLY 44 -7.623 -10.900 -6.163 288 HA2 GLY 44 2HA GLY 44 -6.666 -11.949 -8.177 289 HA3 GLY 44 1HA GLY 44 -8.314 -12.215 -8.719 290 H LEU 45 H LEU 45 -8.811 -9.366 -7.517 291 HA LEU 45 HA LEU 45 -8.153 -7.964 -9.994 292 HB2 LEU 45 2HB LEU 45 -10.108 -7.410 -7.776 293 HB3 LEU 45 1HB LEU 45 -9.756 -6.237 -9.038 294 HG LEU 45 HG LEU 45 -10.453 -8.880 -10.079 295 HD11 LEU 45 1HD1 LEU 45 -12.867 -8.615 -9.592 296 HD12 LEU 45 2HD1 LEU 45 -12.456 -7.338 -8.446 297 HD13 LEU 45 3HD1 LEU 45 -11.895 -8.987 -8.168 298 HD21 LEU 45 3HD2 LEU 45 -11.524 -6.102 -10.547 299 HD22 LEU 45 1HD2 LEU 45 -11.887 -7.528 -11.521 300 HD23 LEU 45 2HD2 LEU 45 -10.242 -6.893 -11.466 301 H LEU 46 H LEU 46 -7.136 -5.987 -10.053 302 HA LEU 46 HA LEU 46 -5.271 -5.444 -7.895 303 HB2 LEU 46 2HB LEU 46 -4.600 -5.561 -10.320 304 HB3 LEU 46 1HB LEU 46 -5.574 -4.130 -10.596 305 HG LEU 46 HG LEU 46 -4.056 -2.885 -9.049 306 HD11 LEU 46 1HD1 LEU 46 -3.072 -5.486 -8.516 307 HD12 LEU 46 2HD1 LEU 46 -2.542 -3.957 -7.826 308 HD13 LEU 46 3HD1 LEU 46 -1.782 -4.574 -9.294 309 HD21 LEU 46 3HD2 LEU 46 -3.545 -2.363 -11.172 310 HD22 LEU 46 1HD2 LEU 46 -3.404 -4.043 -11.673 311 HD23 LEU 46 2HD2 LEU 46 -2.076 -3.260 -10.813 312 H TYR 47 H TYR 47 -4.873 -3.180 -7.215 313 HA TYR 47 HA TYR 47 -7.253 -1.446 -7.265 314 HB2 TYR 47 2HB TYR 47 -5.746 -2.397 -4.818 315 HB3 TYR 47 1HB TYR 47 -6.679 -0.912 -4.808 316 HD1 TYR 47 1HD TYR 47 -8.551 -3.164 -6.785 317 HD2 TYR 47 2HD TYR 47 -7.441 -2.410 -2.748 318 HE1 TYR 47 1HE TYR 47 -10.536 -4.378 -6.020 319 HE2 TYR 47 2HE TYR 47 -9.423 -3.635 -1.976 320 HH TYR 47 HH TYR 47 -11.470 -4.436 -2.652 321 H LEU 48 H LEU 48 -6.707 0.616 -7.759 322 HA LEU 48 HA LEU 48 -3.873 1.343 -7.732 323 HB2 LEU 48 2HB LEU 48 -5.035 1.690 -9.841 324 HB3 LEU 48 1HB LEU 48 -6.251 2.674 -9.047 325 HG LEU 48 HG LEU 48 -4.287 4.269 -8.478 326 HD11 LEU 48 1HD1 LEU 48 -2.478 4.219 -10.186 327 HD12 LEU 48 2HD1 LEU 48 -3.045 2.624 -10.676 328 HD13 LEU 48 3HD1 LEU 48 -2.424 2.875 -9.045 329 HD21 LEU 48 3HD2 LEU 48 -4.460 5.312 -10.747 330 HD22 LEU 48 1HD2 LEU 48 -6.005 4.930 -9.986 331 HD23 LEU 48 2HD2 LEU 48 -5.369 3.891 -11.260 332 H GLY 49 H GLY 49 -3.022 2.776 -6.390 333 HA2 GLY 49 2HA GLY 49 -4.640 4.729 -4.986 334 HA3 GLY 49 1HA GLY 49 -4.001 3.459 -3.970 335 H THR 50 H THR 50 -3.447 6.253 -3.744 336 HA THR 50 HA THR 50 -0.613 6.397 -4.525 337 HB THR 50 HB THR 50 -1.500 8.795 -3.202 338 HG1 THR 50 1HG THR 50 -3.554 7.897 -4.221 339 HG21 THR 50 1HG2 THR 50 0.417 8.546 -4.757 340 HG22 THR 50 2HG2 THR 50 -0.680 9.843 -5.232 341 HG23 THR 50 3HG2 THR 50 -0.722 8.297 -6.081 342 H ILE 51 H ILE 51 0.969 6.989 -2.927 343 HA ILE 51 HA ILE 51 0.463 5.634 -0.442 344 HB ILE 51 HB ILE 51 2.972 6.960 -1.468 345 HG12 ILE 51 2HG1 ILE 51 2.180 4.973 -2.734 346 HG13 ILE 51 1HG1 ILE 51 3.736 4.718 -1.966 347 HG21 ILE 51 1HG2 ILE 51 3.005 6.913 0.992 348 HG22 ILE 51 2HG2 ILE 51 4.201 5.816 0.304 349 HG23 ILE 51 3HG2 ILE 51 2.694 5.177 0.960 350 HD11 ILE 51 3HD1 ILE 51 1.831 3.806 -0.127 351 HD12 ILE 51 1HD1 ILE 51 2.919 2.836 -1.113 352 HD13 ILE 51 2HD1 ILE 51 1.308 3.221 -1.702 353 H LYS 52 H LYS 52 -0.326 6.459 1.273 354 HA LYS 52 HA LYS 52 -0.180 9.337 1.792 355 HB2 LYS 52 2HB LYS 52 -2.099 7.267 2.323 356 HB3 LYS 52 1HB LYS 52 -1.605 7.986 3.848 357 HG2 LYS 52 2HG LYS 52 -2.393 9.762 1.577 358 HG3 LYS 52 1HG LYS 52 -3.637 8.948 2.524 359 HD2 LYS 52 2HD LYS 52 -1.572 10.266 4.142 360 HD3 LYS 52 1HD LYS 52 -2.526 11.368 3.149 361 HE2 LYS 52 2HE LYS 52 -4.584 10.407 4.089 362 HE3 LYS 52 1HE LYS 52 -3.612 9.342 5.104 363 HZ1 LYS 52 3HZ LYS 52 -3.268 10.966 6.565 364 HZ2 LYS 52 1HZ LYS 52 -4.489 11.831 5.774 365 HZ3 LYS 52 2HZ LYS 52 -2.868 12.093 5.369 366 H LYS 53 H LYS 53 0.899 6.241 3.034 367 HA LYS 53 HA LYS 53 2.788 7.586 4.807 368 HB2 LYS 53 2HB LYS 53 0.479 6.508 5.845 369 HB3 LYS 53 1HB LYS 53 1.625 5.187 6.022 370 HG2 LYS 53 2HG LYS 53 3.147 7.119 7.012 371 HG3 LYS 53 1HG LYS 53 1.578 7.852 7.340 372 HD2 LYS 53 2HD LYS 53 2.308 5.046 8.182 373 HD3 LYS 53 1HD LYS 53 2.550 6.460 9.207 374 HE2 LYS 53 2HE LYS 53 0.256 6.847 9.421 375 HE3 LYS 53 1HE LYS 53 -0.122 5.872 7.998 376 HZ1 LYS 53 3HZ LYS 53 1.172 4.429 10.143 377 HZ2 LYS 53 1HZ LYS 53 -0.164 3.998 9.199 378 HZ3 LYS 53 2HZ LYS 53 -0.365 5.020 10.531 379 H VAL 54 H VAL 54 4.419 6.021 5.666 380 HA VAL 54 HA VAL 54 4.846 3.659 4.006 381 HB VAL 54 HB VAL 54 6.801 5.970 4.109 382 HG11 VAL 54 1HG1 VAL 54 7.331 3.111 3.316 383 HG12 VAL 54 2HG1 VAL 54 8.200 4.091 4.497 384 HG13 VAL 54 3HG1 VAL 54 8.333 4.459 2.777 385 HG21 VAL 54 3HG2 VAL 54 5.274 4.572 1.948 386 HG22 VAL 54 1HG2 VAL 54 6.779 5.411 1.575 387 HG23 VAL 54 2HG2 VAL 54 5.423 6.297 2.272 388 H ASP 55 H ASP 55 5.806 2.038 5.018 389 HA ASP 55 HA ASP 55 6.958 2.490 7.686 390 HB2 ASP 55 2HB ASP 55 4.851 0.583 6.782 391 HB3 ASP 55 1HB ASP 55 6.029 -0.021 7.952 392 H SER 56 H SER 56 9.019 2.584 6.647 393 HA SER 56 HA SER 56 10.053 0.393 5.122 394 HB2 SER 56 2HB SER 56 10.733 2.902 5.075 395 HB3 SER 56 1HB SER 56 11.775 2.475 6.433 396 HG SER 56 HG SER 56 11.993 1.829 3.758 397 H ALA 57 H ALA 57 9.364 0.480 8.314 398 HA ALA 57 HA ALA 57 11.774 -0.792 9.326 399 HB1 ALA 57 3HB ALA 57 10.653 0.748 10.797 400 HB2 ALA 57 1HB ALA 57 10.531 -0.877 11.472 401 HB3 ALA 57 2HB ALA 57 9.144 -0.153 10.658 402 H ARG 58 H ARG 58 8.362 -1.682 8.799 403 HA ARG 58 HA ARG 58 9.104 -4.518 9.055 404 HB2 ARG 58 2HB ARG 58 6.848 -2.973 9.986 405 HB3 ARG 58 1HB ARG 58 6.306 -4.309 8.977 406 HG2 ARG 58 2HG ARG 58 7.586 -5.867 10.379 407 HG3 ARG 58 1HG ARG 58 8.075 -4.518 11.406 408 HD2 ARG 58 2HD ARG 58 5.988 -4.285 12.327 409 HD3 ARG 58 1HD ARG 58 5.173 -4.924 10.901 410 HE ARG 58 HE ARG 58 6.443 -7.094 11.805 411 HH11 ARG 58 1HH1 ARG 58 4.450 -4.763 13.515 412 HH12 ARG 58 2HH1 ARG 58 3.913 -5.915 14.691 413 HH21 ARG 58 1HH2 ARG 58 5.727 -8.583 13.352 414 HH22 ARG 58 2HH2 ARG 58 4.636 -8.076 14.599 415 H GLU 59 H GLU 59 9.003 -2.414 6.680 416 HA GLU 59 HA GLU 59 8.732 -2.428 4.432 417 HB2 GLU 59 2HB GLU 59 8.606 -5.411 4.901 418 HB3 GLU 59 1HB GLU 59 8.549 -4.703 3.293 419 HG2 GLU 59 2HG GLU 59 10.785 -3.963 5.119 420 HG3 GLU 59 1HG GLU 59 10.809 -5.537 4.317 421 H VAL 60 H VAL 60 6.649 -1.407 5.392 422 HA VAL 60 HA VAL 60 4.401 -2.509 3.867 423 HB VAL 60 HB VAL 60 3.733 -1.297 6.514 424 HG11 VAL 60 1HG1 VAL 60 1.752 -1.730 5.565 425 HG12 VAL 60 2HG1 VAL 60 2.042 -3.369 6.147 426 HG13 VAL 60 3HG1 VAL 60 2.421 -2.948 4.481 427 HG21 VAL 60 3HG2 VAL 60 4.268 -4.250 6.333 428 HG22 VAL 60 1HG2 VAL 60 3.907 -3.290 7.768 429 HG23 VAL 60 2HG2 VAL 60 5.459 -3.106 6.951 430 H CYS 61 H CYS 61 2.598 -0.838 3.644 431 HA CYS 61 HA CYS 61 3.346 1.961 3.970 432 HB2 CYS 61 2HB CYS 61 2.384 1.682 1.275 433 HB3 CYS 61 1HB CYS 61 3.861 2.448 1.836 434 HG CYS 61 HG CYS 61 5.105 -0.220 1.958 435 H LEU 62 H LEU 62 1.629 3.329 4.005 436 HA LEU 62 HA LEU 62 -1.010 2.089 3.708 437 HB2 LEU 62 2HB LEU 62 -0.053 3.574 5.821 438 HB3 LEU 62 1HB LEU 62 -0.894 4.781 4.878 439 HG LEU 62 HG LEU 62 -2.497 4.081 6.425 440 HD11 LEU 62 1HD1 LEU 62 -3.010 3.653 3.776 441 HD12 LEU 62 2HD1 LEU 62 -4.214 3.606 5.064 442 HD13 LEU 62 3HD1 LEU 62 -3.475 2.109 4.493 443 HD21 LEU 62 3HD2 LEU 62 -2.989 1.534 6.628 444 HD22 LEU 62 1HD2 LEU 62 -1.643 2.251 7.515 445 HD23 LEU 62 2HD2 LEU 62 -1.342 1.365 6.019 446 H VAL 63 H VAL 63 -2.116 2.555 1.985 447 HA VAL 63 HA VAL 63 -1.457 5.017 0.531 448 HB VAL 63 HB VAL 63 -0.860 3.850 -1.267 449 HG11 VAL 63 1HG1 VAL 63 -0.853 1.301 -1.171 450 HG12 VAL 63 2HG1 VAL 63 -1.424 1.502 0.482 451 HG13 VAL 63 3HG1 VAL 63 0.128 2.183 -0.002 452 HG21 VAL 63 3HG2 VAL 63 -3.321 3.855 -1.799 453 HG22 VAL 63 1HG2 VAL 63 -3.340 2.180 -1.246 454 HG23 VAL 63 2HG2 VAL 63 -2.334 2.643 -2.618 455 H GLN 64 H GLN 64 -3.055 6.161 -0.411 456 HA GLN 64 HA GLN 64 -5.770 5.614 0.521 457 HB2 GLN 64 2HB GLN 64 -4.543 7.926 0.673 458 HB3 GLN 64 1HB GLN 64 -4.943 8.069 -1.030 459 HG2 GLN 64 2HG GLN 64 -7.008 8.736 -0.538 460 HG3 GLN 64 1HG GLN 64 -7.282 7.297 0.444 461 HE21 GLN 64 1HE2 GLN 64 -7.887 7.749 2.420 462 HE22 GLN 64 2HE2 GLN 64 -7.386 9.106 3.364 463 H PHE 65 H PHE 65 -7.373 5.032 -0.884 464 HA PHE 65 HA PHE 65 -6.515 4.468 -3.614 465 HB2 PHE 65 2HB PHE 65 -8.681 3.286 -1.883 466 HB3 PHE 65 1HB PHE 65 -8.457 2.866 -3.586 467 HD1 PHE 65 2HD PHE 65 -6.879 2.754 -0.239 468 HD2 PHE 65 1HD PHE 65 -6.712 1.452 -4.269 469 HE1 PHE 65 2HE PHE 65 -5.118 1.139 0.360 470 HE2 PHE 65 1HE PHE 65 -4.951 -0.156 -3.684 471 HZ PHE 65 HZ PHE 65 -4.173 -0.323 -1.373 472 H GLU 66 H GLU 66 -8.003 4.623 -5.363 473 HA GLU 66 HA GLU 66 -8.949 7.143 -5.885 474 HB2 GLU 66 2HB GLU 66 -9.174 4.513 -7.115 475 HB3 GLU 66 1HB GLU 66 -10.498 5.594 -7.525 476 HG2 GLU 66 2HG GLU 66 -7.688 6.570 -7.715 477 HG3 GLU 66 1HG GLU 66 -8.332 5.507 -8.964 478 H ASP 67 H ASP 67 -10.870 4.356 -4.687 479 HA ASP 67 HA ASP 67 -13.245 6.038 -4.590 480 HB2 ASP 67 2HB ASP 67 -13.275 3.635 -5.311 481 HB3 ASP 67 1HB ASP 67 -12.940 3.185 -3.646 482 H ASP 68 H ASP 68 -10.999 6.817 -2.928 483 HA ASP 68 HA ASP 68 -10.486 7.627 -0.886 484 HB2 ASP 68 2HB ASP 68 -13.491 7.681 -0.786 485 HB3 ASP 68 1HB ASP 68 -12.519 8.277 0.558 486 H SER 69 H SER 69 -9.723 5.188 -0.708 487 HA SER 69 HA SER 69 -10.742 4.219 1.882 488 HB2 SER 69 2HB SER 69 -11.035 2.809 -0.414 489 HB3 SER 69 1HB SER 69 -9.472 2.184 0.137 490 HG SER 69 HG SER 69 -10.415 1.423 1.948 491 H GLN 70 H GLN 70 -9.313 4.048 3.451 492 HA GLN 70 HA GLN 70 -6.460 4.278 2.812 493 HB2 GLN 70 2HB GLN 70 -8.147 5.046 5.117 494 HB3 GLN 70 1HB GLN 70 -6.585 4.362 5.544 495 HG2 GLN 70 2HG GLN 70 -6.778 6.563 3.528 496 HG3 GLN 70 1HG GLN 70 -6.810 6.914 5.256 497 HE21 GLN 70 1HE2 GLN 70 -4.874 6.417 2.579 498 HE22 GLN 70 2HE2 GLN 70 -3.350 6.246 3.386 499 H PHE 71 H PHE 71 -5.913 2.278 2.195 500 HA PHE 71 HA PHE 71 -6.438 0.059 4.057 501 HB2 PHE 71 2HB PHE 71 -6.829 0.382 1.190 502 HB3 PHE 71 1HB PHE 71 -5.894 -1.057 1.553 503 HD1 PHE 71 1HD PHE 71 -8.391 -0.087 4.061 504 HD2 PHE 71 2HD PHE 71 -7.752 -2.234 0.442 505 HE1 PHE 71 1HE PHE 71 -10.483 -1.318 4.426 506 HE2 PHE 71 2HE PHE 71 -9.843 -3.473 0.807 507 HZ PHE 71 HZ PHE 71 -11.213 -3.013 2.799 508 H LEU 72 H LEU 72 -4.800 -0.993 4.879 509 HA LEU 72 HA LEU 72 -2.094 -0.156 4.429 510 HB2 LEU 72 2HB LEU 72 -3.134 -0.790 6.634 511 HB3 LEU 72 1HB LEU 72 -3.145 -2.456 6.088 512 HG LEU 72 HG LEU 72 -0.496 -1.238 5.911 513 HD11 LEU 72 1HD1 LEU 72 -1.079 0.025 7.826 514 HD12 LEU 72 2HD1 LEU 72 -0.163 -1.362 8.407 515 HD13 LEU 72 3HD1 LEU 72 -1.920 -1.340 8.559 516 HD21 LEU 72 3HD2 LEU 72 -1.661 -3.696 7.207 517 HD22 LEU 72 1HD2 LEU 72 0.056 -3.309 7.188 518 HD23 LEU 72 2HD2 LEU 72 -0.797 -3.596 5.673 519 H VAL 73 H VAL 73 -0.790 -0.941 2.892 520 HA VAL 73 HA VAL 73 -1.193 -3.723 1.959 521 HB VAL 73 HB VAL 73 0.122 -1.865 0.064 522 HG11 VAL 73 1HG1 VAL 73 -2.075 -3.778 -0.594 523 HG12 VAL 73 2HG1 VAL 73 -0.477 -4.387 -0.171 524 HG13 VAL 73 3HG1 VAL 73 -0.667 -3.307 -1.549 525 HG21 VAL 73 3HG2 VAL 73 -1.734 -0.694 -0.662 526 HG22 VAL 73 1HG2 VAL 73 -1.987 -0.697 1.082 527 HG23 VAL 73 2HG2 VAL 73 -2.869 -1.831 0.062 528 H LEU 74 H LEU 74 0.573 -4.927 1.326 529 HA LEU 74 HA LEU 74 3.077 -4.251 2.666 530 HB2 LEU 74 2HB LEU 74 2.212 -6.811 1.301 531 HB3 LEU 74 1HB LEU 74 3.697 -6.597 2.196 532 HG LEU 74 HG LEU 74 2.314 -7.812 3.633 533 HD11 LEU 74 1HD1 LEU 74 3.302 -5.594 4.550 534 HD12 LEU 74 2HD1 LEU 74 2.192 -6.549 5.532 535 HD13 LEU 74 3HD1 LEU 74 1.608 -5.120 4.679 536 HD21 LEU 74 3HD2 LEU 74 0.059 -5.937 2.949 537 HD22 LEU 74 1HD2 LEU 74 -0.019 -7.227 4.151 538 HD23 LEU 74 2HD2 LEU 74 0.226 -7.620 2.449 539 H TRP 75 H TRP 75 5.101 -4.288 1.617 540 HA TRP 75 HA TRP 75 5.220 -3.135 -0.945 541 HB2 TRP 75 2HB TRP 75 7.425 -4.531 0.588 542 HB3 TRP 75 1HB TRP 75 7.676 -3.554 -0.843 543 HD1 TRP 75 HD TRP 75 5.201 -2.244 1.724 544 HE1 TRP 75 1HE TRP 75 6.202 -0.207 2.905 545 HE3 TRP 75 3HE TRP 75 10.009 -2.520 -0.047 546 HZ2 TRP 75 2HZ TRP 75 8.673 1.111 3.100 547 HZ3 TRP 75 3HZ TRP 75 11.626 -0.822 0.705 548 HH2 TRP 75 HH TRP 75 10.966 0.957 2.251 549 H LYS 76 H LYS 76 4.790 -6.402 -0.100 550 HA LYS 76 HA LYS 76 5.924 -7.492 -2.543 551 HB2 LYS 76 2HB LYS 76 4.849 -9.660 -1.670 552 HB3 LYS 76 1HB LYS 76 6.195 -8.987 -0.767 553 HG2 LYS 76 2HG LYS 76 4.793 -8.240 0.971 554 HG3 LYS 76 1HG LYS 76 3.336 -8.463 0.000 555 HD2 LYS 76 2HD LYS 76 3.246 -10.694 0.416 556 HD3 LYS 76 1HD LYS 76 5.002 -10.867 0.416 557 HE2 LYS 76 2HE LYS 76 3.574 -9.457 2.645 558 HE3 LYS 76 1HE LYS 76 3.736 -11.212 2.632 559 HZ1 LYS 76 3HZ LYS 76 6.142 -10.943 2.521 560 HZ2 LYS 76 1HZ LYS 76 5.511 -10.182 3.894 561 HZ3 LYS 76 2HZ LYS 76 5.975 -9.261 2.554 562 H ASP 77 H ASP 77 2.787 -6.585 -1.293 563 HA ASP 77 HA ASP 77 1.382 -7.668 -3.614 564 HB2 ASP 77 2HB ASP 77 0.626 -6.781 -0.915 565 HB3 ASP 77 1HB ASP 77 -0.514 -6.324 -2.172 566 H ILE 78 H ILE 78 3.163 -5.018 -3.116 567 HA ILE 78 HA ILE 78 1.351 -3.166 -4.490 568 HB ILE 78 HB ILE 78 3.863 -2.621 -2.898 569 HG12 ILE 78 2HG1 ILE 78 1.067 -1.599 -2.394 570 HG13 ILE 78 1HG1 ILE 78 1.598 -3.163 -1.793 571 HG21 ILE 78 1HG2 ILE 78 2.529 -0.989 -4.920 572 HG22 ILE 78 2HG2 ILE 78 4.113 -0.784 -4.175 573 HG23 ILE 78 3HG2 ILE 78 2.673 -0.178 -3.359 574 HD11 ILE 78 3HD1 ILE 78 2.442 -2.192 -0.023 575 HD12 ILE 78 1HD1 ILE 78 1.952 -0.615 -0.640 576 HD13 ILE 78 2HD1 ILE 78 3.540 -1.264 -1.044 577 H SER 79 H SER 79 1.781 -2.338 -6.434 578 HA SER 79 HA SER 79 4.321 -2.984 -7.768 579 HB2 SER 79 2HB SER 79 1.884 -4.181 -8.401 580 HB3 SER 79 1HB SER 79 2.043 -2.899 -9.606 581 HG SER 79 HG SER 79 3.077 -5.134 -9.916 582 HA PRO 80 HA PRO 80 4.034 1.596 -8.008 583 HB2 PRO 80 2HB PRO 80 6.439 1.062 -9.706 584 HB3 PRO 80 1HB PRO 80 6.198 2.287 -8.454 585 HG2 PRO 80 2HG PRO 80 7.630 0.146 -7.898 586 HG3 PRO 80 1HG PRO 80 6.441 0.740 -6.717 587 HD2 PRO 80 2HD PRO 80 6.244 -1.586 -8.603 588 HD3 PRO 80 1HD PRO 80 5.720 -1.458 -6.910 589 H ALA 81 H ALA 81 2.638 2.515 -9.305 590 HA ALA 81 HA ALA 81 1.941 1.526 -11.883 591 HB1 ALA 81 3HB ALA 81 1.127 4.071 -10.489 592 HB2 ALA 81 1HB ALA 81 0.294 2.519 -10.405 593 HB3 ALA 81 2HB ALA 81 0.364 3.401 -11.931 594 H ALA 82 H ALA 82 4.452 3.562 -10.926 595 HA ALA 82 HA ALA 82 4.500 5.138 -13.384 596 HB1 ALA 82 3HB ALA 82 4.993 6.337 -11.356 597 HB2 ALA 82 1HB ALA 82 6.453 6.254 -12.342 598 HB3 ALA 82 2HB ALA 82 6.271 5.193 -10.946 599 H LEU 83 H LEU 83 5.709 4.668 -15.093 600 HA LEU 83 HA LEU 83 7.891 2.713 -14.809 601 HB2 LEU 83 2HB LEU 83 7.297 1.961 -17.163 602 HB3 LEU 83 1HB LEU 83 6.227 1.453 -15.875 603 HG LEU 83 HG LEU 83 5.226 3.901 -16.970 604 HD11 LEU 83 1HD1 LEU 83 5.669 1.737 -19.020 605 HD12 LEU 83 2HD1 LEU 83 6.537 3.271 -18.965 606 HD13 LEU 83 3HD1 LEU 83 4.797 3.253 -19.251 607 HD21 LEU 83 3HD2 LEU 83 3.250 2.548 -17.365 608 HD22 LEU 83 1HD2 LEU 83 3.937 2.179 -15.784 609 HD23 LEU 83 2HD2 LEU 83 4.190 1.073 -17.133 610 HA ALA 331 HA ALA 331 -27.137 3.848 -11.552 611 HB1 ALA 331 3HB ALA 331 -25.477 2.381 -9.528 612 HB2 ALA 331 1HB ALA 331 -27.146 2.851 -9.202 613 HB3 ALA 331 2HB ALA 331 -25.934 4.083 -9.556 614 H THR 332 H THR 332 -25.343 4.896 -12.320 615 HA THR 332 HA THR 332 -23.312 3.199 -13.611 616 HB THR 332 HB THR 332 -22.863 5.359 -14.957 617 HG1 THR 332 1HG THR 332 -24.280 6.948 -14.777 618 HG21 THR 332 1HG2 THR 332 -25.496 3.932 -15.354 619 HG22 THR 332 2HG2 THR 332 -23.924 3.321 -15.870 620 HG23 THR 332 3HG2 THR 332 -24.573 4.797 -16.584 621 H GLY 333 H GLY 333 -21.125 3.700 -13.445 622 HA2 GLY 333 2HA GLY 333 -19.977 5.950 -12.279 623 HA3 GLY 333 1HA GLY 333 -20.275 4.811 -10.976 624 H GLY 334 H GLY 334 -18.421 3.889 -10.439 625 HA2 GLY 334 2HA GLY 334 -17.059 1.960 -11.679 626 HA3 GLY 334 1HA GLY 334 -16.359 3.386 -12.434 627 H VAL 335 H VAL 335 -15.388 1.233 -10.486 628 HA VAL 335 HA VAL 335 -14.310 3.051 -8.434 629 HB VAL 335 HB VAL 335 -13.778 0.773 -7.233 630 HG11 VAL 335 1HG1 VAL 335 -15.898 0.965 -6.016 631 HG12 VAL 335 2HG1 VAL 335 -16.522 2.009 -7.292 632 HG13 VAL 335 3HG1 VAL 335 -15.152 2.535 -6.315 633 HG21 VAL 335 3HG2 VAL 335 -15.547 -0.909 -7.536 634 HG22 VAL 335 1HG2 VAL 335 -14.572 -0.720 -8.994 635 HG23 VAL 335 2HG2 VAL 335 -16.177 0.006 -8.906 636 H M3L 336 H M3L 336 -12.250 3.496 -8.500 637 HA M3L 336 HA M3L 336 -10.069 3.605 -9.124 638 HB2 M3L 336 1HB M3L 336 -8.746 1.508 -8.898 639 HB3 M3L 336 2HB M3L 336 -10.249 0.612 -8.738 640 HG2 M3L 336 1HG M3L 336 -10.167 2.831 -6.910 641 HG3 M3L 336 2HG M3L 336 -8.761 1.792 -6.694 642 HD2 M3L 336 1HD M3L 336 -10.053 -0.039 -6.114 643 HD3 M3L 336 2HD M3L 336 -11.492 0.602 -6.911 644 HE2 M3L 336 1HE M3L 336 -12.151 1.683 -5.072 645 HE3 M3L 336 2HE M3L 336 -10.561 2.376 -4.814 646 HM11 M3L 336 1HM1 M3L 336 -8.837 0.557 -4.352 647 HM12 M3L 336 2HM1 M3L 336 -9.326 -0.863 -3.503 648 HM13 M3L 336 3HM1 M3L 336 -9.063 0.607 -2.640 649 HM21 M3L 336 1HM2 M3L 336 -12.779 -0.388 -4.161 650 HM22 M3L 336 2HM2 M3L 336 -11.828 -1.191 -2.965 651 HM23 M3L 336 3HM2 M3L 336 -11.400 -1.320 -4.632 652 HM31 M3L 336 3HM3 M3L 336 -12.396 1.384 -2.459 653 HM32 M3L 336 1HM3 M3L 336 -10.956 2.338 -2.554 654 HM33 M3L 336 2HM3 M3L 336 -10.967 0.870 -1.641 655 H LYS 337 H LYS 337 -8.358 3.073 -10.678 656 HA LYS 337 HA LYS 337 -9.313 1.882 -13.180 657 HB2 LYS 337 2HB LYS 337 -8.095 3.827 -14.388 658 HB3 LYS 337 1HB LYS 337 -9.699 4.115 -13.742 659 HG2 LYS 337 2HG LYS 337 -7.389 4.786 -11.994 660 HG3 LYS 337 1HG LYS 337 -7.678 5.820 -13.392 661 HD2 LYS 337 2HD LYS 337 -10.072 5.182 -11.790 662 HD3 LYS 337 1HD LYS 337 -8.859 6.161 -10.959 663 HE2 LYS 337 2HE LYS 337 -8.882 7.733 -12.877 664 HE3 LYS 337 1HE LYS 337 -10.173 6.780 -13.608 665 HZ1 LYS 337 3HZ LYS 337 -10.759 7.496 -10.906 666 HZ2 LYS 337 1HZ LYS 337 -11.677 7.743 -12.306 667 HZ3 LYS 337 2HZ LYS 337 -10.486 8.861 -11.867 668 HA PRO 338 HA PRO 338 -4.819 0.762 -12.125 669 HB2 PRO 338 2HB PRO 338 -5.640 -1.873 -11.236 670 HB3 PRO 338 1HB PRO 338 -4.812 -0.614 -10.316 671 HG2 PRO 338 2HG PRO 338 -7.346 -1.398 -9.775 672 HG3 PRO 338 1HG PRO 338 -6.764 0.258 -9.517 673 HD2 PRO 338 2HD PRO 338 -8.310 -0.848 -11.855 674 HD3 PRO 338 1HD PRO 338 -8.633 0.622 -10.908 675 H HIS 339 H HIS 339 -3.854 -1.667 -12.546 676 HA HIS 339 HA HIS 339 -4.232 -2.147 -15.366 677 HB2 HIS 339 2HB HIS 339 -1.991 -2.365 -15.091 678 HB3 HIS 339 1HB HIS 339 -2.170 -2.482 -13.351 679 HD1 HIS 339 1HD HIS 339 -2.469 -4.818 -16.338 680 HD2 HIS 339 2HD HIS 339 -1.319 -4.787 -12.348 681 HE1 HIS 339 1HE HIS 339 -1.566 -7.113 -15.880 682 HE2 HIS 339 2HE HIS 339 -0.773 -7.043 -13.494 683 H ARG 340 H ARG 340 -5.654 -3.577 -16.113 684 HA ARG 340 HA ARG 340 -6.656 -5.683 -14.342 685 HB2 ARG 340 2HB ARG 340 -7.741 -4.383 -16.831 686 HB3 ARG 340 1HB ARG 340 -8.386 -5.915 -16.261 687 HG2 ARG 340 2HG ARG 340 -9.825 -4.600 -15.139 688 HG3 ARG 340 1HG ARG 340 -8.500 -4.451 -13.985 689 HD2 ARG 340 2HD ARG 340 -7.745 -2.419 -15.184 690 HD3 ARG 340 1HD ARG 340 -9.156 -2.553 -16.234 691 HE ARG 340 HE ARG 340 -9.178 -1.880 -13.376 692 HH11 ARG 340 1HH1 ARG 340 -10.918 -2.146 -16.416 693 HH12 ARG 340 2HH1 ARG 340 -12.295 -1.272 -15.835 694 HH21 ARG 340 1HH2 ARG 340 -10.992 -0.739 -12.637 695 HH22 ARG 340 2HH2 ARG 340 -12.336 -0.476 -13.698 696 H TYR 341 H TYR 341 -4.709 -6.921 -14.555 697 HA TYR 341 HA TYR 341 -3.396 -8.602 -15.341 698 HB2 TYR 341 2HB TYR 341 -6.072 -9.239 -16.510 699 HB3 TYR 341 1HB TYR 341 -4.684 -10.206 -16.996 700 HD1 TYR 341 2HD TYR 341 -6.888 -9.294 -14.205 701 HD2 TYR 341 1HD TYR 341 -3.607 -11.707 -15.436 702 HE1 TYR 341 2HE TYR 341 -7.124 -10.646 -12.165 703 HE2 TYR 341 1HE TYR 341 -3.835 -13.066 -13.400 704 HH TYR 341 HH TYR 341 -4.756 -12.862 -11.141
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