NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23106 | 2jtm | 15415 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 -8.525 1.146 12.685 2 H2 MET 1 2HT MET 1 -8.651 2.410 13.762 3 H3 MET 1 3HT MET 1 -7.403 1.307 13.940 4 HA MET 1 HA MET 1 -6.640 3.394 12.982 5 HB2 MET 1 2HB MET 1 -6.713 1.126 10.961 6 HB3 MET 1 1HB MET 1 -5.685 2.543 10.839 7 HG2 MET 1 2HG MET 1 -4.514 1.901 12.857 8 HG3 MET 1 1HG MET 1 -5.586 0.521 13.061 9 HE1 MET 1 2HE MET 1 -2.589 0.894 9.542 10 HE2 MET 1 3HE MET 1 -2.791 2.142 10.768 11 HE3 MET 1 1HE MET 1 -4.089 1.814 9.618 12 H SER 2 H SER 2 -6.658 4.732 10.940 13 HA SER 2 HA SER 2 -9.285 5.603 10.443 14 HB2 SER 2 2HB SER 2 -6.711 6.307 9.016 15 HB3 SER 2 1HB SER 2 -8.183 7.281 9.103 16 HG SER 2 HG SER 2 -7.855 7.665 11.185 17 H SER 3 H SER 3 -10.561 5.288 8.647 18 HA SER 3 HA SER 3 -9.959 2.991 7.039 19 HB2 SER 3 2HB SER 3 -12.362 4.820 7.017 20 HB3 SER 3 1HB SER 3 -12.264 3.171 6.389 21 HG SER 3 HG SER 3 -11.548 2.754 8.706 22 H GLY 4 H GLY 4 -8.933 3.175 5.126 23 HA2 GLY 4 2HA GLY 4 -9.475 4.405 2.925 24 HA3 GLY 4 1HA GLY 4 -8.837 5.775 3.827 25 H LYS 5 H LYS 5 -6.655 5.668 4.563 26 HA LYS 5 HA LYS 5 -5.014 3.860 2.930 27 HB2 LYS 5 2HB LYS 5 -4.407 6.732 3.631 28 HB3 LYS 5 1HB LYS 5 -3.397 5.644 2.696 29 HG2 LYS 5 2HG LYS 5 -5.109 5.573 0.949 30 HG3 LYS 5 1HG LYS 5 -6.100 6.691 1.890 31 HD2 LYS 5 2HD LYS 5 -4.234 8.311 1.838 32 HD3 LYS 5 1HD LYS 5 -3.348 7.214 0.782 33 HE2 LYS 5 2HE LYS 5 -5.200 7.357 -0.846 34 HE3 LYS 5 1HE LYS 5 -5.986 8.523 0.213 35 HZ1 LYS 5 3HZ LYS 5 -3.360 8.855 -1.114 36 HZ2 LYS 5 1HZ LYS 5 -4.044 9.971 -0.033 37 HZ3 LYS 5 2HZ LYS 5 -4.795 9.642 -1.507 38 H LYS 6 H LYS 6 -2.728 3.774 3.821 39 HA LYS 6 HA LYS 6 -2.656 3.875 6.762 40 HB2 LYS 6 2HB LYS 6 -1.999 1.493 5.016 41 HB3 LYS 6 1HB LYS 6 -1.662 1.596 6.730 42 HG2 LYS 6 2HG LYS 6 -3.818 1.271 7.347 43 HG3 LYS 6 1HG LYS 6 -4.473 2.070 5.918 44 HD2 LYS 6 2HD LYS 6 -3.174 -0.658 5.917 45 HD3 LYS 6 1HD LYS 6 -4.917 -0.377 6.010 46 HE2 LYS 6 2HE LYS 6 -4.827 0.809 3.847 47 HE3 LYS 6 1HE LYS 6 -3.105 0.487 3.736 48 HZ1 LYS 6 3HZ LYS 6 -4.336 -1.090 2.448 49 HZ2 LYS 6 1HZ LYS 6 -5.260 -1.532 3.799 50 HZ3 LYS 6 2HZ LYS 6 -3.616 -1.880 3.776 51 HA PRO 7 HA PRO 7 1.408 5.220 5.257 52 HB2 PRO 7 2HB PRO 7 2.090 6.714 7.407 53 HB3 PRO 7 1HB PRO 7 0.958 7.255 6.163 54 HG2 PRO 7 2HG PRO 7 0.414 6.485 8.932 55 HG3 PRO 7 1HG PRO 7 -0.585 7.391 7.782 56 HD2 PRO 7 2HD PRO 7 -0.772 4.580 8.511 57 HD3 PRO 7 1HD PRO 7 -1.841 5.569 7.487 58 H VAL 8 H VAL 8 3.600 4.902 5.702 59 HA VAL 8 HA VAL 8 4.263 3.123 7.931 60 HB VAL 8 HB VAL 8 4.042 1.827 5.743 61 HG11 VAL 8 1HG1 VAL 8 4.735 3.449 4.184 62 HG12 VAL 8 2HG1 VAL 8 5.759 2.019 4.060 63 HG13 VAL 8 3HG1 VAL 8 6.360 3.471 4.866 64 HG21 VAL 8 3HG2 VAL 8 6.149 0.582 5.955 65 HG22 VAL 8 1HG2 VAL 8 5.442 0.936 7.534 66 HG23 VAL 8 2HG2 VAL 8 6.810 1.881 6.948 67 H LYS 9 H LYS 9 6.423 3.329 8.633 68 HA LYS 9 HA LYS 9 7.587 5.937 8.315 69 HB2 LYS 9 2HB LYS 9 7.534 4.546 10.422 70 HB3 LYS 9 1HB LYS 9 8.682 3.458 9.660 71 HG2 LYS 9 2HG LYS 9 10.272 5.355 9.493 72 HG3 LYS 9 1HG LYS 9 9.115 6.342 10.391 73 HD2 LYS 9 2HD LYS 9 10.420 3.796 11.353 74 HD3 LYS 9 1HD LYS 9 10.833 5.423 11.870 75 HE2 LYS 9 2HE LYS 9 8.182 4.011 12.342 76 HE3 LYS 9 1HE LYS 9 9.434 4.272 13.541 77 HZ1 LYS 9 3HZ LYS 9 7.842 5.941 13.907 78 HZ2 LYS 9 1HZ LYS 9 7.694 6.326 12.272 79 HZ3 LYS 9 2HZ LYS 9 9.088 6.718 13.119 80 H VAL 10 H VAL 10 8.737 6.381 6.489 81 HA VAL 10 HA VAL 10 10.369 4.238 5.336 82 HB VAL 10 HB VAL 10 8.297 4.243 4.131 83 HG11 VAL 10 1HG1 VAL 10 7.470 6.207 2.909 84 HG12 VAL 10 2HG1 VAL 10 8.719 7.188 3.685 85 HG13 VAL 10 3HG1 VAL 10 7.457 6.436 4.658 86 HG21 VAL 10 3HG2 VAL 10 10.236 3.889 2.782 87 HG22 VAL 10 1HG2 VAL 10 10.411 5.631 2.503 88 HG23 VAL 10 2HG2 VAL 10 9.003 4.756 1.873 89 H LYS 11 H LYS 11 12.223 4.852 4.375 90 HA LYS 11 HA LYS 11 13.291 7.455 4.968 91 HB2 LYS 11 2HB LYS 11 14.429 5.123 3.416 92 HB3 LYS 11 1HB LYS 11 15.334 6.536 3.940 93 HG2 LYS 11 2HG LYS 11 15.067 5.922 6.240 94 HG3 LYS 11 1HG LYS 11 13.983 4.598 5.809 95 HD2 LYS 11 2HD LYS 11 15.830 3.536 4.579 96 HD3 LYS 11 1HD LYS 11 16.894 4.855 5.067 97 HE2 LYS 11 2HE LYS 11 15.446 3.006 6.951 98 HE3 LYS 11 1HE LYS 11 17.137 2.843 6.481 99 HZ1 LYS 11 3HZ LYS 11 15.948 5.126 8.019 100 HZ2 LYS 11 1HZ LYS 11 17.539 5.035 7.467 101 HZ3 LYS 11 2HZ LYS 11 16.967 3.929 8.582 102 H THR 12 H THR 12 13.632 9.056 3.451 103 HA THR 12 HA THR 12 12.263 8.643 0.932 104 HB THR 12 HB THR 12 12.248 11.020 0.663 105 HG1 THR 12 1HG THR 12 13.500 12.319 1.559 106 HG21 THR 12 3HG2 THR 12 10.621 10.242 2.276 107 HG22 THR 12 1HG2 THR 12 11.211 11.850 2.721 108 HG23 THR 12 2HG2 THR 12 11.808 10.442 3.587 109 HA PRO 13 HA PRO 13 16.042 8.382 -1.428 110 HB2 PRO 13 2HB PRO 13 15.041 10.332 -3.383 111 HB3 PRO 13 1HB PRO 13 15.373 8.611 -3.592 112 HG2 PRO 13 2HG PRO 13 12.850 9.624 -3.533 113 HG3 PRO 13 1HG PRO 13 13.244 7.988 -2.970 114 HD2 PRO 13 2HD PRO 13 12.725 10.489 -1.450 115 HD3 PRO 13 1HD PRO 13 12.256 8.818 -1.084 116 H ALA 14 H ALA 14 14.822 11.421 -0.413 117 HA ALA 14 HA ALA 14 17.195 12.900 -1.146 118 HB1 ALA 14 1HB ALA 14 16.090 14.811 -0.153 119 HB2 ALA 14 2HB ALA 14 14.831 13.761 0.499 120 HB3 ALA 14 3HB ALA 14 14.998 13.963 -1.246 121 H GLY 15 H GLY 15 16.288 10.935 1.465 122 HA2 GLY 15 2HA GLY 15 17.997 10.294 3.006 123 HA3 GLY 15 1HA GLY 15 18.627 11.929 2.942 124 H LYS 16 H LYS 16 15.188 11.570 3.216 125 HA LYS 16 HA LYS 16 15.363 12.417 5.982 126 HB2 LYS 16 2HB LYS 16 13.231 12.726 3.876 127 HB3 LYS 16 1HB LYS 16 12.986 13.110 5.567 128 HG2 LYS 16 2HG LYS 16 15.084 14.337 3.837 129 HG3 LYS 16 1HG LYS 16 13.510 15.105 4.149 130 HD2 LYS 16 2HD LYS 16 14.029 15.025 6.541 131 HD3 LYS 16 1HD LYS 16 15.606 14.337 6.156 132 HE2 LYS 16 2HE LYS 16 15.833 16.731 6.604 133 HE3 LYS 16 1HE LYS 16 16.203 16.369 4.923 134 HZ1 LYS 16 3HZ LYS 16 13.570 17.397 5.845 135 HZ2 LYS 16 1HZ LYS 16 14.098 17.296 4.242 136 HZ3 LYS 16 2HZ LYS 16 14.811 18.375 5.295 137 H GLU 17 H GLU 17 13.508 11.693 7.224 138 HA GLU 17 HA GLU 17 12.542 9.036 6.502 139 HB2 GLU 17 2HB GLU 17 13.850 9.713 9.155 140 HB3 GLU 17 1HB GLU 17 12.893 8.266 8.878 141 HG2 GLU 17 2HG GLU 17 14.462 7.539 7.179 142 HG3 GLU 17 1HG GLU 17 15.434 8.984 7.425 143 H ALA 18 H ALA 18 10.450 9.124 6.542 144 HA ALA 18 HA ALA 18 9.092 10.551 8.658 145 HB1 ALA 18 1HB ALA 18 7.715 11.842 7.082 146 HB2 ALA 18 2HB ALA 18 8.689 11.242 5.740 147 HB3 ALA 18 3HB ALA 18 9.416 12.290 6.958 148 H GLU 19 H GLU 19 6.759 10.087 8.520 149 HA GLU 19 HA GLU 19 6.439 7.414 7.432 150 HB2 GLU 19 2HB GLU 19 4.615 8.888 9.340 151 HB3 GLU 19 1HB GLU 19 4.564 7.171 8.933 152 HG2 GLU 19 2HG GLU 19 6.862 6.947 9.860 153 HG3 GLU 19 1HG GLU 19 6.741 8.619 10.389 154 H LEU 20 H LEU 20 5.787 7.380 5.524 155 HA LEU 20 HA LEU 20 4.000 9.485 4.534 156 HB2 LEU 20 2HB LEU 20 6.033 7.786 3.126 157 HB3 LEU 20 1HB LEU 20 4.917 8.859 2.287 158 HG LEU 20 HG LEU 20 7.038 9.748 4.260 159 HD11 LEU 20 1HD1 LEU 20 8.240 10.557 2.295 160 HD12 LEU 20 2HD1 LEU 20 7.007 9.850 1.246 161 HD13 LEU 20 3HD1 LEU 20 8.028 8.808 2.235 162 HD21 LEU 20 3HD2 LEU 20 6.568 11.978 3.370 163 HD22 LEU 20 1HD2 LEU 20 5.123 11.280 4.111 164 HD23 LEU 20 2HD2 LEU 20 5.298 11.303 2.352 165 H VAL 21 H VAL 21 2.349 8.847 3.133 166 HA VAL 21 HA VAL 21 1.533 6.114 3.577 167 HB VAL 21 HB VAL 21 -0.011 7.835 4.335 168 HG11 VAL 21 1HG1 VAL 21 -0.148 8.781 1.491 169 HG12 VAL 21 2HG1 VAL 21 0.536 9.641 2.873 170 HG13 VAL 21 3HG1 VAL 21 -1.193 9.308 2.814 171 HG21 VAL 21 3HG2 VAL 21 -0.977 5.761 3.607 172 HG22 VAL 21 1HG2 VAL 21 -1.045 6.344 1.941 173 HG23 VAL 21 2HG2 VAL 21 -2.037 7.108 3.186 174 HA PRO 22 HA PRO 22 2.570 5.313 -0.634 175 HB2 PRO 22 2HB PRO 22 1.505 2.806 -0.780 176 HB3 PRO 22 1HB PRO 22 3.082 3.156 -0.062 177 HG2 PRO 22 2HG PRO 22 0.472 2.632 1.267 178 HG3 PRO 22 1HG PRO 22 2.110 2.183 1.765 179 HD2 PRO 22 2HD PRO 22 0.700 4.273 2.829 180 HD3 PRO 22 1HD PRO 22 2.471 4.183 2.809 181 H GLU 23 H GLU 23 1.586 5.847 -2.341 182 HA GLU 23 HA GLU 23 -1.237 6.352 -2.363 183 HB2 GLU 23 2HB GLU 23 1.049 7.012 -4.096 184 HB3 GLU 23 1HB GLU 23 -0.561 7.108 -4.783 185 HG2 GLU 23 2HG GLU 23 0.420 8.520 -2.297 186 HG3 GLU 23 1HG GLU 23 0.171 9.269 -3.879 187 H LYS 24 H LYS 24 0.883 4.070 -3.647 188 HA LYS 24 HA LYS 24 -1.386 2.553 -4.637 189 HB2 LYS 24 2HB LYS 24 -0.473 3.774 -6.595 190 HB3 LYS 24 1HB LYS 24 1.111 3.086 -6.279 191 HG2 LYS 24 2HG LYS 24 0.185 0.848 -6.644 192 HG3 LYS 24 1HG LYS 24 -1.378 1.580 -6.987 193 HD2 LYS 24 2HD LYS 24 -0.390 2.767 -8.900 194 HD3 LYS 24 1HD LYS 24 1.163 1.990 -8.549 195 HE2 LYS 24 2HE LYS 24 -0.051 0.821 -10.340 196 HE3 LYS 24 1HE LYS 24 0.197 -0.194 -8.919 197 HZ1 LYS 24 3HZ LYS 24 -2.321 1.217 -9.625 198 HZ2 LYS 24 1HZ LYS 24 -2.100 0.257 -8.255 199 HZ3 LYS 24 2HZ LYS 24 -2.045 -0.418 -9.789 200 H VAL 25 H VAL 25 -1.156 0.472 -3.984 201 HA VAL 25 HA VAL 25 1.537 -0.376 -3.181 202 HB VAL 25 HB VAL 25 0.565 -1.762 -1.390 203 HG11 VAL 25 1HG1 VAL 25 -0.205 1.135 -1.186 204 HG12 VAL 25 2HG1 VAL 25 1.377 0.445 -0.828 205 HG13 VAL 25 3HG1 VAL 25 -0.017 0.026 0.173 206 HG21 VAL 25 3HG2 VAL 25 -1.764 -1.437 -0.664 207 HG22 VAL 25 1HG2 VAL 25 -1.676 -2.119 -2.292 208 HG23 VAL 25 2HG2 VAL 25 -2.048 -0.409 -2.063 209 H TRP 26 H TRP 26 2.207 -2.343 -3.807 210 HA TRP 26 HA TRP 26 0.279 -4.194 -4.869 211 HB2 TRP 26 2HB TRP 26 1.685 -4.634 -6.902 212 HB3 TRP 26 1HB TRP 26 0.919 -3.060 -6.896 213 HD1 TRP 26 HD TRP 26 4.291 -4.733 -7.106 214 HE1 TRP 26 1HE TRP 26 6.105 -2.977 -7.485 215 HE3 TRP 26 3HE TRP 26 1.547 -0.583 -6.168 216 HZ2 TRP 26 2HZ TRP 26 6.331 -0.111 -7.393 217 HZ3 TRP 26 3HZ TRP 26 2.613 1.632 -6.331 218 HH2 TRP 26 HH TRP 26 4.938 1.863 -6.916 219 H ALA 27 H ALA 27 1.217 -6.373 -5.183 220 HA ALA 27 HA ALA 27 3.370 -6.775 -3.247 221 HB1 ALA 27 1HB ALA 27 1.201 -7.334 -2.263 222 HB2 ALA 27 2HB ALA 27 2.227 -8.757 -2.447 223 HB3 ALA 27 3HB ALA 27 0.903 -8.473 -3.575 224 H LEU 28 H LEU 28 4.617 -8.556 -3.525 225 HA LEU 28 HA LEU 28 4.409 -10.035 -6.040 226 HB2 LEU 28 2HB LEU 28 6.934 -9.003 -4.706 227 HB3 LEU 28 1HB LEU 28 6.944 -10.174 -5.983 228 HG LEU 28 HG LEU 28 5.936 -8.355 -7.475 229 HD11 LEU 28 1HD1 LEU 28 6.813 -6.580 -5.197 230 HD12 LEU 28 2HD1 LEU 28 5.153 -6.839 -5.730 231 HD13 LEU 28 3HD1 LEU 28 6.307 -6.044 -6.802 232 HD21 LEU 28 3HD2 LEU 28 8.666 -7.971 -6.290 233 HD22 LEU 28 1HD2 LEU 28 8.124 -7.305 -7.834 234 HD23 LEU 28 2HD2 LEU 28 8.242 -9.055 -7.615 235 H ALA 29 H ALA 29 3.553 -11.813 -5.083 236 HA ALA 29 HA ALA 29 4.942 -12.830 -2.710 237 HB1 ALA 29 1HB ALA 29 2.611 -12.216 -2.295 238 HB2 ALA 29 2HB ALA 29 2.882 -13.947 -2.077 239 HB3 ALA 29 3HB ALA 29 2.096 -13.352 -3.542 240 HA PRO 30 HA PRO 30 5.870 -16.166 -5.624 241 HB2 PRO 30 2HB PRO 30 8.357 -16.493 -4.206 242 HB3 PRO 30 1HB PRO 30 8.129 -15.878 -5.841 243 HG2 PRO 30 2HG PRO 30 9.028 -14.351 -3.739 244 HG3 PRO 30 1HG PRO 30 8.213 -13.697 -5.167 245 HD2 PRO 30 2HD PRO 30 7.103 -14.289 -2.453 246 HD3 PRO 30 1HD PRO 30 6.793 -12.909 -3.533 247 H LYS 31 H LYS 31 5.494 -18.289 -5.198 248 HA LYS 31 HA LYS 31 4.618 -19.012 -2.620 249 HB2 LYS 31 2HB LYS 31 4.334 -21.296 -3.575 250 HB3 LYS 31 1HB LYS 31 3.559 -20.035 -4.517 251 HG2 LYS 31 2HG LYS 31 5.487 -20.089 -6.075 252 HG3 LYS 31 1HG LYS 31 6.141 -21.445 -5.156 253 HD2 LYS 31 2HD LYS 31 4.108 -22.728 -5.617 254 HD3 LYS 31 1HD LYS 31 3.466 -21.373 -6.543 255 HE2 LYS 31 2HE LYS 31 5.381 -21.547 -8.086 256 HE3 LYS 31 1HE LYS 31 5.963 -22.940 -7.176 257 HZ1 LYS 31 3HZ LYS 31 4.768 -23.713 -9.069 258 HZ2 LYS 31 1HZ LYS 31 3.415 -22.760 -8.696 259 HZ3 LYS 31 2HZ LYS 31 3.842 -24.042 -7.702 260 H GLY 32 H GLY 32 5.623 -19.845 -0.957 261 HA2 GLY 32 2HA GLY 32 7.219 -21.130 0.185 262 HA3 GLY 32 1HA GLY 32 8.184 -21.217 -1.283 263 H ARG 33 H ARG 33 7.268 -18.132 -1.089 264 HA ARG 33 HA ARG 33 9.605 -17.320 0.488 265 HB2 ARG 33 2HB ARG 33 8.422 -16.083 -2.006 266 HB3 ARG 33 1HB ARG 33 9.678 -15.327 -1.050 267 HG2 ARG 33 2HG ARG 33 9.990 -18.000 -2.414 268 HG3 ARG 33 1HG ARG 33 10.448 -16.467 -3.150 269 HD2 ARG 33 2HD ARG 33 12.410 -17.489 -2.224 270 HD3 ARG 33 1HD ARG 33 12.003 -16.083 -1.246 271 HE ARG 33 HE ARG 33 11.046 -18.673 -0.324 272 HH11 ARG 33 1HH1 ARG 33 13.499 -16.133 -0.015 273 HH12 ARG 33 2HH1 ARG 33 14.051 -16.638 1.504 274 HH21 ARG 33 1HH2 ARG 33 11.845 -19.400 1.785 275 HH22 ARG 33 2HH2 ARG 33 13.101 -18.551 2.545 276 H LYS 34 H LYS 34 9.002 -14.582 0.569 277 HA LYS 34 HA LYS 34 6.494 -14.698 2.040 278 HB2 LYS 34 2HB LYS 34 8.751 -12.721 2.417 279 HB3 LYS 34 1HB LYS 34 7.322 -12.905 3.430 280 HG2 LYS 34 2HG LYS 34 8.107 -15.250 3.924 281 HG3 LYS 34 1HG LYS 34 9.608 -14.837 3.113 282 HD2 LYS 34 2HD LYS 34 9.968 -14.565 5.443 283 HD3 LYS 34 1HD LYS 34 9.859 -12.948 4.751 284 HE2 LYS 34 2HE LYS 34 7.577 -12.718 5.509 285 HE3 LYS 34 1HE LYS 34 7.554 -14.391 6.063 286 HZ1 LYS 34 3HZ LYS 34 7.851 -12.909 7.884 287 HZ2 LYS 34 1HZ LYS 34 9.228 -12.208 7.180 288 HZ3 LYS 34 2HZ LYS 34 9.232 -13.835 7.669 289 H GLY 35 H GLY 35 5.084 -12.890 1.851 290 HA2 GLY 35 2HA GLY 35 5.001 -11.997 -0.887 291 HA3 GLY 35 1HA GLY 35 3.767 -11.742 0.340 292 H VAL 36 H VAL 36 6.665 -10.534 -1.130 293 HA VAL 36 HA VAL 36 6.875 -8.322 0.669 294 HB VAL 36 HB VAL 36 8.557 -7.383 -0.894 295 HG11 VAL 36 1HG1 VAL 36 9.298 -8.881 0.844 296 HG12 VAL 36 2HG1 VAL 36 10.270 -9.091 -0.608 297 HG13 VAL 36 3HG1 VAL 36 9.022 -10.278 -0.204 298 HG21 VAL 36 3HG2 VAL 36 7.994 -9.835 -2.558 299 HG22 VAL 36 1HG2 VAL 36 9.338 -8.716 -2.807 300 HG23 VAL 36 2HG2 VAL 36 7.679 -8.154 -2.996 301 H LYS 37 H LYS 37 6.625 -6.139 0.050 302 HA LYS 37 HA LYS 37 4.460 -5.770 -1.871 303 HB2 LYS 37 2HB LYS 37 4.668 -4.865 0.989 304 HB3 LYS 37 1HB LYS 37 3.437 -4.277 -0.123 305 HG2 LYS 37 2HG LYS 37 2.485 -6.476 -0.305 306 HG3 LYS 37 1HG LYS 37 3.847 -7.186 0.557 307 HD2 LYS 37 2HD LYS 37 3.181 -6.081 2.593 308 HD3 LYS 37 1HD LYS 37 1.885 -5.229 1.741 309 HE2 LYS 37 2HE LYS 37 0.998 -7.150 2.957 310 HE3 LYS 37 1HE LYS 37 0.822 -7.353 1.217 311 HZ1 LYS 37 3HZ LYS 37 2.962 -8.759 1.389 312 HZ2 LYS 37 1HZ LYS 37 1.554 -9.395 2.081 313 HZ3 LYS 37 2HZ LYS 37 2.700 -8.708 3.051 314 H ILE 38 H ILE 38 4.443 -3.671 -2.727 315 HA ILE 38 HA ILE 38 6.627 -1.903 -1.940 316 HB ILE 38 HB ILE 38 5.990 -2.610 -4.843 317 HG12 ILE 38 2HG1 ILE 38 8.530 -3.123 -3.281 318 HG13 ILE 38 1HG1 ILE 38 7.340 -4.369 -3.597 319 HG21 ILE 38 1HG2 ILE 38 8.085 -0.753 -3.684 320 HG22 ILE 38 2HG2 ILE 38 6.628 -0.257 -4.545 321 HG23 ILE 38 3HG2 ILE 38 7.896 -1.144 -5.394 322 HD11 ILE 38 3HD1 ILE 38 8.993 -2.871 -5.622 323 HD12 ILE 38 1HD1 ILE 38 7.780 -4.096 -6.010 324 HD13 ILE 38 2HD1 ILE 38 9.222 -4.536 -5.089 325 H GLY 39 H GLY 39 6.053 0.161 -1.905 326 HA2 GLY 39 2HA GLY 39 3.408 0.820 -2.974 327 HA3 GLY 39 1HA GLY 39 3.960 1.387 -1.399 328 H LEU 40 H LEU 40 3.197 2.785 -3.828 329 HA LEU 40 HA LEU 40 5.672 4.170 -4.519 330 HB2 LEU 40 2HB LEU 40 4.178 3.584 -6.326 331 HB3 LEU 40 1HB LEU 40 2.849 4.432 -5.597 332 HG LEU 40 HG LEU 40 4.159 6.562 -5.925 333 HD11 LEU 40 1HD1 LEU 40 6.372 5.676 -6.047 334 HD12 LEU 40 2HD1 LEU 40 5.990 6.443 -7.599 335 HD13 LEU 40 3HD1 LEU 40 5.941 4.690 -7.439 336 HD21 LEU 40 3HD2 LEU 40 2.401 5.896 -7.460 337 HD22 LEU 40 1HD2 LEU 40 3.571 4.929 -8.368 338 HD23 LEU 40 2HD2 LEU 40 3.742 6.687 -8.305 339 H PHE 41 H PHE 41 6.204 6.030 -3.589 340 HA PHE 41 HA PHE 41 4.251 7.405 -1.839 341 HB2 PHE 41 2HB PHE 41 7.226 7.076 -1.522 342 HB3 PHE 41 1HB PHE 41 6.202 8.024 -0.477 343 HD1 PHE 41 1HD PHE 41 7.268 4.681 -1.460 344 HD2 PHE 41 2HD PHE 41 4.768 6.925 1.134 345 HE1 PHE 41 1HE PHE 41 6.961 2.696 -0.044 346 HE2 PHE 41 2HE PHE 41 4.461 4.953 2.547 347 HZ PHE 41 HZ PHE 41 5.558 2.832 1.955 348 H LYS 42 H LYS 42 4.961 9.686 -1.443 349 HA LYS 42 HA LYS 42 6.327 10.853 -3.764 350 HB2 LYS 42 2HB LYS 42 3.998 11.636 -3.534 351 HB3 LYS 42 1HB LYS 42 4.315 12.088 -1.865 352 HG2 LYS 42 2HG LYS 42 6.014 13.727 -2.709 353 HG3 LYS 42 1HG LYS 42 5.487 13.346 -4.350 354 HD2 LYS 42 2HD LYS 42 3.242 14.098 -3.824 355 HD3 LYS 42 1HD LYS 42 3.712 14.411 -2.153 356 HE2 LYS 42 2HE LYS 42 3.670 16.504 -3.357 357 HE3 LYS 42 1HE LYS 42 5.340 16.095 -2.976 358 HZ1 LYS 42 3HZ LYS 42 5.099 16.923 -5.231 359 HZ2 LYS 42 1HZ LYS 42 4.006 15.720 -5.612 360 HZ3 LYS 42 2HZ LYS 42 5.616 15.338 -5.304 361 H ASP 43 H ASP 43 8.199 11.797 -3.330 362 HA ASP 43 HA ASP 43 9.199 11.913 -0.625 363 HB2 ASP 43 2HB ASP 43 10.757 11.241 -2.386 364 HB3 ASP 43 1HB ASP 43 10.416 12.713 -3.283 365 HA PRO 44 HA PRO 44 7.561 16.034 -0.270 366 HB2 PRO 44 2HB PRO 44 8.210 16.494 2.281 367 HB3 PRO 44 1HB PRO 44 6.957 15.325 1.847 368 HG2 PRO 44 2HG PRO 44 9.821 14.836 2.578 369 HG3 PRO 44 1HG PRO 44 8.374 13.973 3.125 370 HD2 PRO 44 2HD PRO 44 10.001 13.064 1.140 371 HD3 PRO 44 1HD PRO 44 8.265 12.697 1.224 372 H GLU 45 H GLU 45 10.794 15.243 -0.463 373 HA GLU 45 HA GLU 45 11.669 17.908 0.287 374 HB2 GLU 45 2HB GLU 45 12.824 15.790 1.093 375 HB3 GLU 45 1HB GLU 45 13.423 15.626 -0.552 376 HG2 GLU 45 2HG GLU 45 15.067 16.679 0.883 377 HG3 GLU 45 1HG GLU 45 14.521 17.791 -0.373 378 H THR 46 H THR 46 11.949 15.626 -2.378 379 HA THR 46 HA THR 46 12.759 17.767 -4.174 380 HB THR 46 HB THR 46 13.083 15.890 -5.820 381 HG1 THR 46 1HG THR 46 12.446 14.289 -3.530 382 HG21 THR 46 3HG2 THR 46 14.952 16.686 -4.421 383 HG22 THR 46 1HG2 THR 46 15.067 14.950 -4.709 384 HG23 THR 46 2HG2 THR 46 14.483 15.552 -3.158 385 H GLY 47 H GLY 47 10.082 15.507 -3.629 386 HA2 GLY 47 2HA GLY 47 7.881 16.268 -4.097 387 HA3 GLY 47 1HA GLY 47 8.557 17.102 -5.491 388 H LYS 48 H LYS 48 10.120 14.288 -5.537 389 HA LYS 48 HA LYS 48 8.534 13.368 -7.769 390 HB2 LYS 48 2HB LYS 48 10.334 11.755 -8.153 391 HB3 LYS 48 1HB LYS 48 10.970 13.381 -7.947 392 HG2 LYS 48 2HG LYS 48 11.681 12.859 -5.690 393 HG3 LYS 48 1HG LYS 48 10.927 11.273 -5.794 394 HD2 LYS 48 2HD LYS 48 13.345 11.113 -6.113 395 HD3 LYS 48 1HD LYS 48 12.488 10.638 -7.573 396 HE2 LYS 48 2HE LYS 48 12.914 12.845 -8.535 397 HE3 LYS 48 1HE LYS 48 13.784 13.320 -7.076 398 HZ1 LYS 48 3HZ LYS 48 15.378 11.557 -7.519 399 HZ2 LYS 48 1HZ LYS 48 15.309 12.594 -8.839 400 HZ3 LYS 48 2HZ LYS 48 14.552 11.095 -8.891 401 H TYR 49 H TYR 49 8.008 11.083 -8.027 402 HA TYR 49 HA TYR 49 7.017 9.951 -5.538 403 HB2 TYR 49 2HB TYR 49 6.330 9.440 -8.428 404 HB3 TYR 49 1HB TYR 49 5.810 8.375 -7.127 405 HD1 TYR 49 1HD TYR 49 4.168 9.075 -5.522 406 HD2 TYR 49 2HD TYR 49 5.345 11.636 -8.699 407 HE1 TYR 49 1HE TYR 49 2.198 10.470 -5.110 408 HE2 TYR 49 2HE TYR 49 3.380 13.046 -8.290 409 HH TYR 49 HH TYR 49 1.094 12.715 -7.286 410 H PHE 50 H PHE 50 7.849 8.139 -4.727 411 HA PHE 50 HA PHE 50 9.749 6.699 -6.436 412 HB2 PHE 50 2HB PHE 50 11.303 6.441 -4.583 413 HB3 PHE 50 1HB PHE 50 11.006 8.145 -4.870 414 HD1 PHE 50 2HD PHE 50 9.530 9.414 -3.257 415 HD2 PHE 50 1HD PHE 50 10.849 5.442 -2.495 416 HE1 PHE 50 2HE PHE 50 9.010 9.696 -0.859 417 HE2 PHE 50 1HE PHE 50 10.333 5.723 -0.109 418 HZ PHE 50 HZ PHE 50 9.416 7.846 0.709 419 H ARG 51 H ARG 51 9.563 4.487 -6.316 420 HA ARG 51 HA ARG 51 7.569 3.502 -4.512 421 HB2 ARG 51 2HB ARG 51 7.891 1.365 -5.692 422 HB3 ARG 51 1HB ARG 51 7.361 2.662 -6.750 423 HG2 ARG 51 2HG ARG 51 9.586 2.844 -7.669 424 HG3 ARG 51 1HG ARG 51 10.192 1.682 -6.485 425 HD2 ARG 51 2HD ARG 51 8.809 -0.068 -7.437 426 HD3 ARG 51 1HD ARG 51 8.073 1.073 -8.554 427 HE ARG 51 HE ARG 51 10.495 1.327 -9.353 428 HH11 ARG 51 1HH1 ARG 51 9.101 -1.747 -8.226 429 HH12 ARG 51 2HH1 ARG 51 10.010 -2.719 -9.289 430 HH21 ARG 51 1HH2 ARG 51 11.748 -0.059 -10.840 431 HH22 ARG 51 2HH2 ARG 51 11.513 -1.746 -10.797 432 H HIS 52 H HIS 52 7.935 2.042 -2.947 433 HA HIS 52 HA HIS 52 10.669 1.272 -2.340 434 HB2 HIS 52 2HB HIS 52 10.499 3.416 -1.248 435 HB3 HIS 52 1HB HIS 52 8.928 3.027 -0.585 436 HD1 HIS 52 1HD HIS 52 12.568 2.757 0.091 437 HD2 HIS 52 2HD HIS 52 9.016 1.352 1.708 438 HE1 HIS 52 1HE HIS 52 13.099 2.040 2.443 439 HE2 HIS 52 2HE HIS 52 10.979 1.145 3.359 440 H LYS 53 H LYS 53 10.719 -0.700 -1.388 441 HA LYS 53 HA LYS 53 8.403 -2.288 -1.262 442 HB2 LYS 53 2HB LYS 53 9.822 -4.003 -0.172 443 HB3 LYS 53 1HB LYS 53 10.515 -3.358 -1.642 444 HG2 LYS 53 2HG LYS 53 12.292 -2.519 -0.624 445 HG3 LYS 53 1HG LYS 53 11.350 -1.910 0.744 446 HD2 LYS 53 2HD LYS 53 12.205 -4.787 0.357 447 HD3 LYS 53 1HD LYS 53 13.060 -3.595 1.348 448 HE2 LYS 53 2HE LYS 53 10.992 -3.324 2.709 449 HE3 LYS 53 1HE LYS 53 10.247 -4.620 1.784 450 HZ1 LYS 53 3HZ LYS 53 11.155 -5.428 3.872 451 HZ2 LYS 53 1HZ LYS 53 12.688 -4.873 3.453 452 HZ3 LYS 53 2HZ LYS 53 11.965 -6.133 2.594 453 H LEU 54 H LEU 54 7.140 -2.842 0.295 454 HA LEU 54 HA LEU 54 7.301 -1.367 2.813 455 HB2 LEU 54 2HB LEU 54 5.025 -3.140 2.018 456 HB3 LEU 54 1HB LEU 54 5.026 -1.767 3.040 457 HG LEU 54 HG LEU 54 5.335 -1.502 0.056 458 HD11 LEU 54 1HD1 LEU 54 3.121 -2.368 0.633 459 HD12 LEU 54 2HD1 LEU 54 3.042 -0.704 0.063 460 HD13 LEU 54 3HD1 LEU 54 2.914 -1.052 1.788 461 HD21 LEU 54 3HD2 LEU 54 4.863 0.839 0.499 462 HD22 LEU 54 1HD2 LEU 54 6.330 0.300 1.324 463 HD23 LEU 54 2HD2 LEU 54 4.826 0.501 2.234 464 HA PRO 55 HA PRO 55 8.187 -5.224 4.940 465 HB2 PRO 55 2HB PRO 55 5.874 -4.888 6.746 466 HB3 PRO 55 1HB PRO 55 7.595 -4.890 7.140 467 HG2 PRO 55 2HG PRO 55 6.128 -2.636 7.220 468 HG3 PRO 55 1HG PRO 55 7.835 -2.614 6.718 469 HD2 PRO 55 2HD PRO 55 5.348 -2.567 5.051 470 HD3 PRO 55 1HD PRO 55 6.788 -1.619 4.800 471 H ASP 56 H ASP 56 7.428 -7.430 5.022 472 HA ASP 56 HA ASP 56 5.439 -7.941 3.092 473 HB2 ASP 56 2HB ASP 56 5.942 -10.257 3.399 474 HB3 ASP 56 1HB ASP 56 7.448 -9.359 3.391 475 H ASP 57 H ASP 57 5.351 -7.531 6.474 476 HA ASP 57 HA ASP 57 2.834 -8.994 6.758 477 HB2 ASP 57 2HB ASP 57 4.573 -9.207 8.521 478 HB3 ASP 57 1HB ASP 57 4.453 -7.479 8.824 479 H TYR 58 H TYR 58 3.680 -6.072 5.651 480 HA TYR 58 HA TYR 58 2.048 -4.250 7.064 481 HB2 TYR 58 2HB TYR 58 3.993 -3.750 5.657 482 HB3 TYR 58 1HB TYR 58 3.071 -4.110 4.221 483 HD1 TYR 58 2HD TYR 58 3.410 -1.817 7.077 484 HD2 TYR 58 1HD TYR 58 1.642 -2.419 3.268 485 HE1 TYR 58 2HE TYR 58 2.808 0.548 6.991 486 HE2 TYR 58 1HE TYR 58 1.036 -0.029 3.170 487 HH TYR 58 HH TYR 58 0.719 1.930 4.711 488 HA PRO 59 HA PRO 59 -1.810 -5.731 5.518 489 HB2 PRO 59 2HB PRO 59 -3.427 -3.831 6.536 490 HB3 PRO 59 1HB PRO 59 -2.649 -5.051 7.548 491 HG2 PRO 59 2HG PRO 59 -1.841 -2.212 7.062 492 HG3 PRO 59 1HG PRO 59 -1.878 -3.110 8.587 493 HD2 PRO 59 2HD PRO 59 0.392 -2.701 7.164 494 HD3 PRO 59 1HD PRO 59 0.136 -4.136 8.175 495 H ILE 60 H ILE 60 -1.809 -5.541 3.307 496 HA ILE 60 HA ILE 60 -2.932 -3.038 2.392 497 HB ILE 60 HB ILE 60 -2.009 -3.395 0.108 498 HG12 ILE 60 2HG1 ILE 60 -0.343 -5.612 1.310 499 HG13 ILE 60 1HG1 ILE 60 -1.759 -5.881 0.294 500 HG21 ILE 60 1HG2 ILE 60 0.056 -3.356 2.284 501 HG22 ILE 60 2HG2 ILE 60 -0.813 -1.967 1.635 502 HG23 ILE 60 3HG2 ILE 60 0.331 -2.848 0.619 503 HD11 ILE 60 3HD1 ILE 60 0.761 -4.458 -0.545 504 HD12 ILE 60 1HD1 ILE 60 -0.655 -4.740 -1.561 505 HD13 ILE 60 2HD1 ILE 60 0.293 -6.103 -0.976 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -0.492 14.060 5.753 2 H2 MET 1 2HT MET 1 0.580 14.859 6.771 3 H3 MET 1 3HT MET 1 -0.837 14.202 7.388 4 HA MET 1 HA MET 1 1.380 12.698 6.169 5 HB2 MET 1 2HB MET 1 2.063 13.538 8.341 6 HB3 MET 1 1HB MET 1 0.573 12.965 9.072 7 HG2 MET 1 2HG MET 1 1.221 10.662 8.688 8 HG3 MET 1 1HG MET 1 2.681 11.186 7.855 9 HE1 MET 1 2HE MET 1 3.784 13.557 9.596 10 HE2 MET 1 3HE MET 1 4.778 12.220 9.012 11 HE3 MET 1 1HE MET 1 4.839 12.692 10.708 12 H SER 2 H SER 2 -1.393 12.113 8.378 13 HA SER 2 HA SER 2 -1.640 9.500 7.174 14 HB2 SER 2 2HB SER 2 -3.337 10.726 9.349 15 HB3 SER 2 1HB SER 2 -3.095 9.010 9.005 16 HG SER 2 HG SER 2 -1.621 9.267 10.566 17 H SER 3 H SER 3 -2.228 10.330 5.113 18 HA SER 3 HA SER 3 -4.651 11.837 4.887 19 HB2 SER 3 2HB SER 3 -2.903 10.744 2.686 20 HB3 SER 3 1HB SER 3 -4.053 12.080 2.603 21 HG SER 3 HG SER 3 -1.743 12.593 2.872 22 H GLY 4 H GLY 4 -6.167 10.366 5.656 23 HA2 GLY 4 2HA GLY 4 -7.993 9.047 5.195 24 HA3 GLY 4 1HA GLY 4 -7.333 8.757 3.591 25 H LYS 5 H LYS 5 -5.252 7.431 3.752 26 HA LYS 5 HA LYS 5 -6.043 4.913 4.989 27 HB2 LYS 5 2HB LYS 5 -3.811 5.494 3.034 28 HB3 LYS 5 1HB LYS 5 -4.373 3.903 3.521 29 HG2 LYS 5 2HG LYS 5 -6.536 4.334 2.498 30 HG3 LYS 5 1HG LYS 5 -6.012 5.948 2.050 31 HD2 LYS 5 2HD LYS 5 -4.758 3.380 1.073 32 HD3 LYS 5 1HD LYS 5 -5.884 4.369 0.153 33 HE2 LYS 5 2HE LYS 5 -4.271 6.268 0.368 34 HE3 LYS 5 1HE LYS 5 -3.137 5.150 1.111 35 HZ1 LYS 5 3HZ LYS 5 -3.194 3.826 -0.941 36 HZ2 LYS 5 1HZ LYS 5 -2.654 5.401 -1.175 37 HZ3 LYS 5 2HZ LYS 5 -4.203 4.997 -1.650 38 H LYS 6 H LYS 6 -3.731 3.645 5.357 39 HA LYS 6 HA LYS 6 -2.720 5.016 7.695 40 HB2 LYS 6 2HB LYS 6 -1.753 2.806 8.285 41 HB3 LYS 6 1HB LYS 6 -3.503 2.772 8.119 42 HG2 LYS 6 2HG LYS 6 -3.202 1.804 5.849 43 HG3 LYS 6 1HG LYS 6 -1.469 1.784 6.129 44 HD2 LYS 6 2HD LYS 6 -3.515 0.263 7.762 45 HD3 LYS 6 1HD LYS 6 -2.559 -0.421 6.461 46 HE2 LYS 6 2HE LYS 6 -1.476 -1.092 8.438 47 HE3 LYS 6 1HE LYS 6 -0.510 0.233 7.819 48 HZ1 LYS 6 3HZ LYS 6 -0.856 0.292 10.212 49 HZ2 LYS 6 1HZ LYS 6 -2.506 0.463 10.014 50 HZ3 LYS 6 2HZ LYS 6 -1.444 1.690 9.525 51 HA PRO 7 HA PRO 7 1.038 5.766 5.443 52 HB2 PRO 7 2HB PRO 7 2.311 7.201 7.344 53 HB3 PRO 7 1HB PRO 7 1.019 7.876 6.355 54 HG2 PRO 7 2HG PRO 7 0.980 7.052 9.192 55 HG3 PRO 7 1HG PRO 7 -0.015 8.238 8.334 56 HD2 PRO 7 2HD PRO 7 -0.765 5.597 9.045 57 HD3 PRO 7 1HD PRO 7 -1.653 6.734 8.014 58 H VAL 8 H VAL 8 3.437 5.539 5.892 59 HA VAL 8 HA VAL 8 4.111 3.746 8.044 60 HB VAL 8 HB VAL 8 3.594 2.249 6.098 61 HG11 VAL 8 1HG1 VAL 8 4.058 3.685 4.277 62 HG12 VAL 8 2HG1 VAL 8 5.012 2.205 4.141 63 HG13 VAL 8 3HG1 VAL 8 5.775 3.704 4.681 64 HG21 VAL 8 3HG2 VAL 8 5.249 1.493 7.706 65 HG22 VAL 8 1HG2 VAL 8 6.519 2.338 6.822 66 HG23 VAL 8 2HG2 VAL 8 5.694 0.967 6.084 67 H LYS 9 H LYS 9 6.187 4.068 8.765 68 HA LYS 9 HA LYS 9 7.432 6.502 7.940 69 HB2 LYS 9 2HB LYS 9 7.331 5.594 10.312 70 HB3 LYS 9 1HB LYS 9 8.451 4.352 9.796 71 HG2 LYS 9 2HG LYS 9 10.164 5.886 9.447 72 HG3 LYS 9 1HG LYS 9 9.055 7.276 9.583 73 HD2 LYS 9 2HD LYS 9 8.674 6.652 11.936 74 HD3 LYS 9 1HD LYS 9 9.847 5.346 11.761 75 HE2 LYS 9 2HE LYS 9 10.823 7.332 12.817 76 HE3 LYS 9 1HE LYS 9 11.594 6.938 11.280 77 HZ1 LYS 9 3HZ LYS 9 11.041 9.353 11.743 78 HZ2 LYS 9 1HZ LYS 9 9.430 8.971 11.431 79 HZ3 LYS 9 2HZ LYS 9 10.625 8.784 10.239 80 H VAL 10 H VAL 10 8.551 6.602 6.138 81 HA VAL 10 HA VAL 10 10.067 4.248 5.322 82 HB VAL 10 HB VAL 10 7.934 4.343 4.152 83 HG11 VAL 10 1HG1 VAL 10 8.833 7.001 3.089 84 HG12 VAL 10 2HG1 VAL 10 7.467 6.690 4.164 85 HG13 VAL 10 3HG1 VAL 10 7.434 6.095 2.505 86 HG21 VAL 10 3HG2 VAL 10 10.283 4.915 2.360 87 HG22 VAL 10 1HG2 VAL 10 8.750 4.201 1.847 88 HG23 VAL 10 2HG2 VAL 10 9.778 3.343 2.992 89 H LYS 11 H LYS 11 11.951 4.617 4.342 90 HA LYS 11 HA LYS 11 13.226 7.183 4.621 91 HB2 LYS 11 2HB LYS 11 14.198 4.615 3.347 92 HB3 LYS 11 1HB LYS 11 15.200 6.033 3.621 93 HG2 LYS 11 2HG LYS 11 14.905 5.787 6.022 94 HG3 LYS 11 1HG LYS 11 13.857 4.394 5.766 95 HD2 LYS 11 2HD LYS 11 15.708 3.189 4.723 96 HD3 LYS 11 1HD LYS 11 16.751 4.596 4.934 97 HE2 LYS 11 2HE LYS 11 17.189 2.948 6.665 98 HE3 LYS 11 1HE LYS 11 16.505 4.408 7.362 99 HZ1 LYS 11 3HZ LYS 11 14.924 1.964 6.758 100 HZ2 LYS 11 1HZ LYS 11 14.384 3.340 7.575 101 HZ3 LYS 11 2HZ LYS 11 15.537 2.341 8.278 102 H THR 12 H THR 12 13.133 8.765 3.170 103 HA THR 12 HA THR 12 12.036 8.214 0.539 104 HB THR 12 HB THR 12 11.612 10.579 0.422 105 HG1 THR 12 1HG THR 12 12.515 11.992 1.542 106 HG21 THR 12 3HG2 THR 12 11.102 9.645 3.243 107 HG22 THR 12 1HG2 THR 12 10.057 9.371 1.850 108 HG23 THR 12 2HG2 THR 12 10.302 11.009 2.455 109 HA PRO 13 HA PRO 13 15.843 8.985 -1.702 110 HB2 PRO 13 2HB PRO 13 14.713 11.201 -3.276 111 HB3 PRO 13 1HB PRO 13 15.250 9.607 -3.816 112 HG2 PRO 13 2HG PRO 13 12.651 10.269 -3.753 113 HG3 PRO 13 1HG PRO 13 13.212 8.625 -3.396 114 HD2 PRO 13 2HD PRO 13 12.390 10.798 -1.515 115 HD3 PRO 13 1HD PRO 13 12.009 9.060 -1.492 116 H ALA 14 H ALA 14 14.338 11.603 -0.060 117 HA ALA 14 HA ALA 14 16.457 13.498 -0.383 118 HB1 ALA 14 1HB ALA 14 14.166 14.211 0.159 119 HB2 ALA 14 2HB ALA 14 15.315 14.770 1.376 120 HB3 ALA 14 3HB ALA 14 14.279 13.384 1.713 121 H GLY 15 H GLY 15 15.943 10.731 1.546 122 HA2 GLY 15 2HA GLY 15 17.804 9.686 2.611 123 HA3 GLY 15 1HA GLY 15 18.477 11.282 2.927 124 H LYS 16 H LYS 16 15.269 11.411 3.562 125 HA LYS 16 HA LYS 16 15.766 11.023 6.423 126 HB2 LYS 16 2HB LYS 16 13.940 12.644 6.765 127 HB3 LYS 16 1HB LYS 16 15.234 13.326 5.788 128 HG2 LYS 16 2HG LYS 16 13.772 12.557 3.793 129 HG3 LYS 16 1HG LYS 16 12.479 12.515 4.980 130 HD2 LYS 16 2HD LYS 16 14.215 14.923 4.423 131 HD3 LYS 16 1HD LYS 16 12.593 14.688 3.787 132 HE2 LYS 16 2HE LYS 16 11.663 14.751 6.009 133 HE3 LYS 16 1HE LYS 16 13.276 14.803 6.720 134 HZ1 LYS 16 3HZ LYS 16 12.157 16.989 6.588 135 HZ2 LYS 16 1HZ LYS 16 12.222 16.905 4.899 136 HZ3 LYS 16 2HZ LYS 16 13.643 16.935 5.789 137 H GLU 17 H GLU 17 13.966 10.147 7.651 138 HA GLU 17 HA GLU 17 12.345 8.335 6.035 139 HB2 GLU 17 2HB GLU 17 14.141 7.231 7.397 140 HB3 GLU 17 1HB GLU 17 13.378 7.887 8.839 141 HG2 GLU 17 2HG GLU 17 11.318 6.706 8.235 142 HG3 GLU 17 1HG GLU 17 12.179 6.015 6.872 143 H ALA 18 H ALA 18 10.363 9.105 6.021 144 HA ALA 18 HA ALA 18 9.258 10.198 8.512 145 HB1 ALA 18 1HB ALA 18 8.103 11.930 7.227 146 HB2 ALA 18 2HB ALA 18 8.867 11.351 5.747 147 HB3 ALA 18 3HB ALA 18 9.851 12.062 7.027 148 H GLU 19 H GLU 19 6.930 10.091 8.589 149 HA GLU 19 HA GLU 19 5.989 7.656 7.407 150 HB2 GLU 19 2HB GLU 19 4.553 9.594 9.226 151 HB3 GLU 19 1HB GLU 19 3.914 8.046 8.702 152 HG2 GLU 19 2HG GLU 19 4.708 7.542 10.809 153 HG3 GLU 19 1HG GLU 19 6.060 7.090 9.786 154 H LEU 20 H LEU 20 5.386 7.596 5.479 155 HA LEU 20 HA LEU 20 3.705 9.748 4.378 156 HB2 LEU 20 2HB LEU 20 5.630 7.897 2.959 157 HB3 LEU 20 1HB LEU 20 4.565 9.027 2.160 158 HG LEU 20 HG LEU 20 6.853 9.798 3.985 159 HD11 LEU 20 1HD1 LEU 20 7.617 8.760 1.907 160 HD12 LEU 20 2HD1 LEU 20 7.954 10.494 1.919 161 HD13 LEU 20 3HD1 LEU 20 6.602 9.865 0.979 162 HD21 LEU 20 3HD2 LEU 20 5.128 11.445 2.154 163 HD22 LEU 20 1HD2 LEU 20 6.485 12.030 3.104 164 HD23 LEU 20 2HD2 LEU 20 5.024 11.451 3.920 165 H VAL 21 H VAL 21 1.861 9.017 3.264 166 HA VAL 21 HA VAL 21 1.331 6.217 3.634 167 HB VAL 21 HB VAL 21 -0.348 7.728 4.542 168 HG11 VAL 21 1HG1 VAL 21 -0.120 9.645 3.189 169 HG12 VAL 21 2HG1 VAL 21 -1.791 9.058 3.143 170 HG13 VAL 21 3HG1 VAL 21 -0.716 8.768 1.766 171 HG21 VAL 21 3HG2 VAL 21 -2.369 6.863 3.471 172 HG22 VAL 21 1HG2 VAL 21 -1.173 5.602 3.768 173 HG23 VAL 21 2HG2 VAL 21 -1.384 6.252 2.139 174 HA PRO 22 HA PRO 22 2.422 5.394 -0.538 175 HB2 PRO 22 2HB PRO 22 0.576 3.108 -0.319 176 HB3 PRO 22 1HB PRO 22 2.299 3.101 -0.662 177 HG2 PRO 22 2HG PRO 22 1.314 2.280 1.697 178 HG3 PRO 22 1HG PRO 22 2.894 3.065 1.541 179 HD2 PRO 22 2HD PRO 22 0.335 4.152 2.586 180 HD3 PRO 22 1HD PRO 22 2.017 4.514 3.038 181 H GLU 23 H GLU 23 1.591 6.021 -2.390 182 HA GLU 23 HA GLU 23 -1.042 7.042 -2.628 183 HB2 GLU 23 2HB GLU 23 1.047 7.833 -3.830 184 HB3 GLU 23 1HB GLU 23 0.985 6.388 -4.806 185 HG2 GLU 23 2HG GLU 23 -1.245 8.397 -4.763 186 HG3 GLU 23 1HG GLU 23 0.151 8.570 -5.811 187 H LYS 24 H LYS 24 0.644 4.169 -3.667 188 HA LYS 24 HA LYS 24 -1.822 2.683 -3.811 189 HB2 LYS 24 2HB LYS 24 -1.278 1.742 -6.006 190 HB3 LYS 24 1HB LYS 24 -1.490 3.485 -6.147 191 HG2 LYS 24 2HG LYS 24 0.999 3.702 -6.064 192 HG3 LYS 24 1HG LYS 24 1.074 1.943 -6.075 193 HD2 LYS 24 2HD LYS 24 -0.078 3.654 -8.298 194 HD3 LYS 24 1HD LYS 24 1.530 2.940 -8.271 195 HE2 LYS 24 2HE LYS 24 0.225 1.528 -9.642 196 HE3 LYS 24 1HE LYS 24 0.407 0.687 -8.113 197 HZ1 LYS 24 3HZ LYS 24 -1.862 1.303 -7.533 198 HZ2 LYS 24 1HZ LYS 24 -1.824 0.547 -9.018 199 HZ3 LYS 24 2HZ LYS 24 -2.020 2.214 -8.932 200 H VAL 25 H VAL 25 -1.392 0.415 -3.497 201 HA VAL 25 HA VAL 25 1.382 -0.212 -2.772 202 HB VAL 25 HB VAL 25 0.555 -1.715 -0.985 203 HG11 VAL 25 1HG1 VAL 25 -0.121 -0.028 0.645 204 HG12 VAL 25 2HG1 VAL 25 -0.409 1.112 -0.670 205 HG13 VAL 25 3HG1 VAL 25 1.222 0.522 -0.356 206 HG21 VAL 25 3HG2 VAL 25 -2.155 -0.568 -1.645 207 HG22 VAL 25 1HG2 VAL 25 -1.795 -1.522 -0.206 208 HG23 VAL 25 2HG2 VAL 25 -1.643 -2.249 -1.804 209 H TRP 26 H TRP 26 2.057 -2.353 -3.190 210 HA TRP 26 HA TRP 26 0.197 -4.212 -4.256 211 HB2 TRP 26 2HB TRP 26 1.320 -4.523 -6.428 212 HB3 TRP 26 1HB TRP 26 0.639 -2.916 -6.281 213 HD1 TRP 26 HD TRP 26 3.778 -4.723 -7.090 214 HE1 TRP 26 1HE TRP 26 5.659 -3.062 -7.590 215 HE3 TRP 26 3HE TRP 26 1.580 -0.456 -5.368 216 HZ2 TRP 26 2HZ TRP 26 6.155 -0.285 -7.291 217 HZ3 TRP 26 3HZ TRP 26 2.856 1.653 -5.509 218 HH2 TRP 26 HH TRP 26 5.056 1.728 -6.436 219 H ALA 27 H ALA 27 1.408 -6.255 -4.893 220 HA ALA 27 HA ALA 27 3.866 -6.542 -3.367 221 HB1 ALA 27 1HB ALA 27 3.079 -8.573 -2.293 222 HB2 ALA 27 2HB ALA 27 1.518 -8.411 -3.087 223 HB3 ALA 27 3HB ALA 27 2.018 -7.223 -1.878 224 H LEU 28 H LEU 28 5.181 -8.135 -4.084 225 HA LEU 28 HA LEU 28 4.450 -9.361 -6.654 226 HB2 LEU 28 2HB LEU 28 7.134 -8.457 -5.637 227 HB3 LEU 28 1HB LEU 28 6.968 -9.431 -7.060 228 HG LEU 28 HG LEU 28 5.571 -7.484 -8.011 229 HD11 LEU 28 1HD1 LEU 28 5.132 -6.310 -5.944 230 HD12 LEU 28 2HD1 LEU 28 6.042 -5.284 -7.057 231 HD13 LEU 28 3HD1 LEU 28 6.860 -6.060 -5.700 232 HD21 LEU 28 3HD2 LEU 28 7.557 -6.264 -8.679 233 HD22 LEU 28 1HD2 LEU 28 7.820 -8.006 -8.735 234 HD23 LEU 28 2HD2 LEU 28 8.475 -7.055 -7.398 235 H ALA 29 H ALA 29 4.098 -11.443 -6.444 236 HA ALA 29 HA ALA 29 5.909 -13.027 -4.786 237 HB1 ALA 29 1HB ALA 29 2.902 -13.309 -4.770 238 HB2 ALA 29 2HB ALA 29 3.873 -12.665 -3.449 239 HB3 ALA 29 3HB ALA 29 4.042 -14.355 -3.925 240 HA PRO 30 HA PRO 30 5.510 -15.046 -8.829 241 HB2 PRO 30 2HB PRO 30 8.186 -16.069 -8.396 242 HB3 PRO 30 1HB PRO 30 7.643 -14.908 -9.606 243 HG2 PRO 30 2HG PRO 30 9.281 -14.245 -7.510 244 HG3 PRO 30 1HG PRO 30 8.185 -13.100 -8.303 245 HD2 PRO 30 2HD PRO 30 7.824 -14.586 -5.725 246 HD3 PRO 30 1HD PRO 30 7.414 -12.905 -6.137 247 H LYS 31 H LYS 31 7.618 -16.759 -6.508 248 HA LYS 31 HA LYS 31 5.736 -19.006 -6.550 249 HB2 LYS 31 2HB LYS 31 8.777 -19.118 -6.517 250 HB3 LYS 31 1HB LYS 31 7.701 -20.495 -6.361 251 HG2 LYS 31 2HG LYS 31 6.885 -20.157 -8.606 252 HG3 LYS 31 1HG LYS 31 7.895 -18.716 -8.767 253 HD2 LYS 31 2HD LYS 31 9.897 -20.052 -8.515 254 HD3 LYS 31 1HD LYS 31 8.923 -21.498 -8.241 255 HE2 LYS 31 2HE LYS 31 9.785 -21.410 -10.533 256 HE3 LYS 31 1HE LYS 31 8.027 -21.345 -10.486 257 HZ1 LYS 31 3HZ LYS 31 8.114 -18.978 -10.865 258 HZ2 LYS 31 1HZ LYS 31 8.971 -19.779 -12.059 259 HZ3 LYS 31 2HZ LYS 31 9.795 -18.978 -10.834 260 H GLY 32 H GLY 32 7.841 -20.236 -4.601 261 HA2 GLY 32 2HA GLY 32 6.514 -19.432 -2.226 262 HA3 GLY 32 1HA GLY 32 7.881 -20.526 -2.340 263 H ARG 33 H ARG 33 6.888 -17.211 -2.111 264 HA ARG 33 HA ARG 33 9.319 -16.469 -0.703 265 HB2 ARG 33 2HB ARG 33 9.271 -16.022 -3.374 266 HB3 ARG 33 1HB ARG 33 8.284 -14.665 -2.890 267 HG2 ARG 33 2HG ARG 33 11.169 -15.167 -2.099 268 HG3 ARG 33 1HG ARG 33 10.591 -13.988 -3.263 269 HD2 ARG 33 2HD ARG 33 9.347 -12.891 -1.386 270 HD3 ARG 33 1HD ARG 33 10.151 -13.998 -0.286 271 HE ARG 33 HE ARG 33 11.543 -12.072 -1.996 272 HH11 ARG 33 1HH1 ARG 33 11.451 -13.942 1.012 273 HH12 ARG 33 2HH1 ARG 33 12.606 -12.996 1.815 274 HH21 ARG 33 1HH2 ARG 33 13.151 -10.744 -0.873 275 HH22 ARG 33 2HH2 ARG 33 13.594 -11.132 0.725 276 H LYS 34 H LYS 34 8.756 -14.596 0.653 277 HA LYS 34 HA LYS 34 6.399 -14.342 1.952 278 HB2 LYS 34 2HB LYS 34 8.281 -12.121 1.205 279 HB3 LYS 34 1HB LYS 34 6.939 -11.910 2.302 280 HG2 LYS 34 2HG LYS 34 9.221 -13.817 2.729 281 HG3 LYS 34 1HG LYS 34 9.125 -12.188 3.391 282 HD2 LYS 34 2HD LYS 34 6.942 -12.891 4.461 283 HD3 LYS 34 1HD LYS 34 7.359 -14.545 4.002 284 HE2 LYS 34 2HE LYS 34 8.063 -14.157 6.269 285 HE3 LYS 34 1HE LYS 34 9.482 -14.321 5.238 286 HZ1 LYS 34 3HZ LYS 34 8.338 -11.838 6.379 287 HZ2 LYS 34 1HZ LYS 34 9.515 -11.796 5.170 288 HZ3 LYS 34 2HZ LYS 34 9.866 -12.473 6.663 289 H GLY 35 H GLY 35 7.206 -12.605 -0.982 290 HA2 GLY 35 2HA GLY 35 5.615 -11.778 -2.545 291 HA3 GLY 35 1HA GLY 35 4.397 -11.805 -1.253 292 H VAL 36 H VAL 36 6.989 -10.083 -2.668 293 HA VAL 36 HA VAL 36 7.400 -8.439 -0.374 294 HB VAL 36 HB VAL 36 8.972 -7.118 -1.842 295 HG11 VAL 36 1HG1 VAL 36 10.673 -8.896 -1.913 296 HG12 VAL 36 2HG1 VAL 36 9.410 -10.100 -1.647 297 HG13 VAL 36 3HG1 VAL 36 9.769 -8.908 -0.401 298 HG21 VAL 36 3HG2 VAL 36 7.990 -7.568 -4.009 299 HG22 VAL 36 1HG2 VAL 36 8.342 -9.294 -3.846 300 HG23 VAL 36 2HG2 VAL 36 9.661 -8.127 -3.975 301 H LYS 37 H LYS 37 6.297 -6.907 0.226 302 HA LYS 37 HA LYS 37 4.296 -5.661 -1.403 303 HB2 LYS 37 2HB LYS 37 5.184 -5.191 1.439 304 HB3 LYS 37 1HB LYS 37 3.782 -4.447 0.694 305 HG2 LYS 37 2HG LYS 37 2.784 -6.698 0.412 306 HG3 LYS 37 1HG LYS 37 4.192 -7.394 1.218 307 HD2 LYS 37 2HD LYS 37 3.701 -6.188 3.236 308 HD3 LYS 37 1HD LYS 37 2.398 -5.311 2.443 309 HE2 LYS 37 2HE LYS 37 1.411 -7.022 3.792 310 HE3 LYS 37 1HE LYS 37 1.226 -7.481 2.107 311 HZ1 LYS 37 3HZ LYS 37 3.269 -8.551 3.979 312 HZ2 LYS 37 1HZ LYS 37 3.066 -9.058 2.382 313 HZ3 LYS 37 2HZ LYS 37 1.865 -9.322 3.528 314 H ILE 38 H ILE 38 4.501 -3.745 -2.369 315 HA ILE 38 HA ILE 38 6.700 -1.986 -1.602 316 HB ILE 38 HB ILE 38 5.988 -2.681 -4.495 317 HG12 ILE 38 2HG1 ILE 38 8.462 -3.358 -2.885 318 HG13 ILE 38 1HG1 ILE 38 7.221 -4.501 -3.368 319 HG21 ILE 38 1HG2 ILE 38 8.160 -0.884 -3.403 320 HG22 ILE 38 2HG2 ILE 38 6.698 -0.364 -4.245 321 HG23 ILE 38 3HG2 ILE 38 7.920 -1.300 -5.104 322 HD11 ILE 38 3HD1 ILE 38 9.071 -2.995 -5.200 323 HD12 ILE 38 1HD1 ILE 38 7.807 -4.110 -5.720 324 HD13 ILE 38 2HD1 ILE 38 9.167 -4.706 -4.773 325 H GLY 39 H GLY 39 6.163 0.152 -1.740 326 HA2 GLY 39 2HA GLY 39 3.467 0.757 -2.728 327 HA3 GLY 39 1HA GLY 39 4.031 1.381 -1.181 328 H LEU 40 H LEU 40 3.198 2.777 -3.570 329 HA LEU 40 HA LEU 40 5.699 4.053 -4.381 330 HB2 LEU 40 2HB LEU 40 4.154 3.416 -6.170 331 HB3 LEU 40 1HB LEU 40 2.890 4.374 -5.453 332 HG LEU 40 HG LEU 40 4.310 6.406 -5.871 333 HD11 LEU 40 1HD1 LEU 40 6.480 5.374 -5.981 334 HD12 LEU 40 2HD1 LEU 40 6.135 6.155 -7.531 335 HD13 LEU 40 3HD1 LEU 40 5.988 4.411 -7.368 336 HD21 LEU 40 3HD2 LEU 40 2.506 5.785 -7.377 337 HD22 LEU 40 1HD2 LEU 40 3.619 4.728 -8.258 338 HD23 LEU 40 2HD2 LEU 40 3.884 6.473 -8.253 339 H PHE 41 H PHE 41 6.252 5.894 -3.517 340 HA PHE 41 HA PHE 41 4.286 7.364 -1.900 341 HB2 PHE 41 2HB PHE 41 7.251 7.048 -1.519 342 HB3 PHE 41 1HB PHE 41 6.203 8.031 -0.531 343 HD1 PHE 41 2HD PHE 41 4.624 6.960 1.003 344 HD2 PHE 41 1HD PHE 41 7.362 4.678 -1.306 345 HE1 PHE 41 2HE PHE 41 4.243 5.032 2.459 346 HE2 PHE 41 1HE PHE 41 6.980 2.736 0.152 347 HZ PHE 41 HZ PHE 41 5.421 2.917 2.034 348 H LYS 42 H LYS 42 5.073 9.642 -1.582 349 HA LYS 42 HA LYS 42 6.531 10.704 -3.874 350 HB2 LYS 42 2HB LYS 42 4.091 11.144 -4.157 351 HB3 LYS 42 1HB LYS 42 4.055 11.886 -2.567 352 HG2 LYS 42 2HG LYS 42 5.670 13.601 -3.396 353 HG3 LYS 42 1HG LYS 42 5.507 12.905 -5.010 354 HD2 LYS 42 2HD LYS 42 3.105 13.373 -4.972 355 HD3 LYS 42 1HD LYS 42 3.249 14.044 -3.350 356 HE2 LYS 42 2HE LYS 42 3.182 15.879 -4.883 357 HE3 LYS 42 1HE LYS 42 4.826 15.747 -4.275 358 HZ1 LYS 42 3HZ LYS 42 3.852 14.784 -6.908 359 HZ2 LYS 42 1HZ LYS 42 5.463 14.647 -6.368 360 HZ3 LYS 42 2HZ LYS 42 4.765 16.156 -6.629 361 H ASP 43 H ASP 43 8.245 11.719 -3.102 362 HA ASP 43 HA ASP 43 8.531 12.224 -0.307 363 HB2 ASP 43 2HB ASP 43 10.492 11.627 -1.652 364 HB3 ASP 43 1HB ASP 43 10.255 13.046 -2.662 365 HA PRO 44 HA PRO 44 6.300 16.038 -0.508 366 HB2 PRO 44 2HB PRO 44 7.580 16.915 1.914 367 HB3 PRO 44 1HB PRO 44 5.894 16.479 1.652 368 HG2 PRO 44 2HG PRO 44 7.561 14.935 3.137 369 HG3 PRO 44 1HG PRO 44 6.232 14.271 2.172 370 HD2 PRO 44 2HD PRO 44 9.155 14.326 1.578 371 HD3 PRO 44 1HD PRO 44 7.941 13.058 1.285 372 H GLU 45 H GLU 45 9.747 16.180 0.044 373 HA GLU 45 HA GLU 45 9.611 19.007 -0.595 374 HB2 GLU 45 2HB GLU 45 11.979 19.125 0.266 375 HB3 GLU 45 1HB GLU 45 10.720 18.785 1.434 376 HG2 GLU 45 2HG GLU 45 11.326 16.355 1.211 377 HG3 GLU 45 1HG GLU 45 12.722 16.879 0.268 378 H THR 46 H THR 46 11.120 16.095 -1.821 379 HA THR 46 HA THR 46 12.315 17.685 -3.937 380 HB THR 46 HB THR 46 13.120 15.486 -4.840 381 HG1 THR 46 1HG THR 46 11.936 14.472 -2.471 382 HG21 THR 46 3HG2 THR 46 14.683 14.987 -3.008 383 HG22 THR 46 1HG2 THR 46 13.681 15.921 -1.900 384 HG23 THR 46 2HG2 THR 46 14.506 16.729 -3.227 385 H GLY 47 H GLY 47 9.476 15.803 -3.332 386 HA2 GLY 47 2HA GLY 47 7.478 16.028 -4.430 387 HA3 GLY 47 1HA GLY 47 8.325 16.844 -5.734 388 H LYS 48 H LYS 48 10.052 14.168 -5.234 389 HA LYS 48 HA LYS 48 8.949 13.019 -7.638 390 HB2 LYS 48 2HB LYS 48 10.916 11.540 -7.596 391 HB3 LYS 48 1HB LYS 48 11.325 13.247 -7.600 392 HG2 LYS 48 2HG LYS 48 11.770 13.144 -5.192 393 HG3 LYS 48 1HG LYS 48 11.364 11.427 -5.197 394 HD2 LYS 48 2HD LYS 48 13.580 12.662 -6.835 395 HD3 LYS 48 1HD LYS 48 13.822 11.897 -5.268 396 HE2 LYS 48 2HE LYS 48 13.026 9.782 -6.133 397 HE3 LYS 48 1HE LYS 48 12.627 10.522 -7.676 398 HZ1 LYS 48 3HZ LYS 48 15.371 10.264 -6.555 399 HZ2 LYS 48 1HZ LYS 48 14.956 10.954 -8.044 400 HZ3 LYS 48 2HZ LYS 48 14.681 9.316 -7.767 401 H TYR 49 H TYR 49 8.404 10.877 -7.943 402 HA TYR 49 HA TYR 49 7.135 9.647 -5.629 403 HB2 TYR 49 2HB TYR 49 6.851 9.172 -8.597 404 HB3 TYR 49 1HB TYR 49 6.068 8.193 -7.369 405 HD1 TYR 49 1HD TYR 49 6.186 11.503 -8.931 406 HD2 TYR 49 2HD TYR 49 4.170 8.967 -6.197 407 HE1 TYR 49 1HE TYR 49 4.299 13.073 -8.886 408 HE2 TYR 49 2HE TYR 49 2.279 10.515 -6.135 409 HH TYR 49 HH TYR 49 1.927 13.026 -8.378 410 H PHE 50 H PHE 50 7.965 7.893 -4.733 411 HA PHE 50 HA PHE 50 9.859 6.363 -6.349 412 HB2 PHE 50 2HB PHE 50 11.378 6.120 -4.462 413 HB3 PHE 50 1HB PHE 50 11.148 7.822 -4.816 414 HD1 PHE 50 2HD PHE 50 9.460 9.114 -3.304 415 HD2 PHE 50 1HD PHE 50 11.072 5.292 -2.325 416 HE1 PHE 50 2HE PHE 50 8.885 9.476 -0.921 417 HE2 PHE 50 1HE PHE 50 10.502 5.653 0.036 418 HZ PHE 50 HZ PHE 50 9.410 7.736 0.734 419 H ARG 51 H ARG 51 9.639 4.221 -6.167 420 HA ARG 51 HA ARG 51 7.604 3.255 -4.364 421 HB2 ARG 51 2HB ARG 51 7.987 1.100 -5.683 422 HB3 ARG 51 1HB ARG 51 7.176 2.422 -6.513 423 HG2 ARG 51 2HG ARG 51 9.281 2.968 -7.639 424 HG3 ARG 51 1HG ARG 51 10.074 1.656 -6.762 425 HD2 ARG 51 2HD ARG 51 7.669 1.193 -8.481 426 HD3 ARG 51 1HD ARG 51 9.299 1.175 -9.164 427 HE ARG 51 HE ARG 51 9.472 -0.532 -7.104 428 HH11 ARG 51 1HH1 ARG 51 7.083 -0.320 -9.718 429 HH12 ARG 51 2HH1 ARG 51 6.900 -2.000 -9.875 430 HH21 ARG 51 1HH2 ARG 51 9.242 -2.871 -7.370 431 HH22 ARG 51 2HH2 ARG 51 8.168 -3.474 -8.549 432 H HIS 52 H HIS 52 8.041 2.102 -2.675 433 HA HIS 52 HA HIS 52 10.800 1.208 -2.265 434 HB2 HIS 52 2HB HIS 52 10.430 3.456 -1.199 435 HB3 HIS 52 1HB HIS 52 9.167 2.734 -0.220 436 HD1 HIS 52 1HD HIS 52 10.021 0.942 1.648 437 HD2 HIS 52 2HD HIS 52 12.993 3.121 -0.272 438 HE1 HIS 52 1HE HIS 52 11.988 0.802 3.113 439 HE2 HIS 52 2HE HIS 52 13.844 1.817 1.784 440 H LYS 53 H LYS 53 10.940 -0.656 -1.059 441 HA LYS 53 HA LYS 53 8.760 -2.398 -0.898 442 HB2 LYS 53 2HB LYS 53 11.125 -3.155 -0.862 443 HB3 LYS 53 1HB LYS 53 11.325 -2.435 0.732 444 HG2 LYS 53 2HG LYS 53 9.327 -3.964 1.380 445 HG3 LYS 53 1HG LYS 53 9.762 -4.856 -0.071 446 HD2 LYS 53 2HD LYS 53 11.960 -5.311 0.802 447 HD3 LYS 53 1HD LYS 53 11.684 -4.235 2.174 448 HE2 LYS 53 2HE LYS 53 9.755 -5.711 2.830 449 HE3 LYS 53 1HE LYS 53 10.273 -6.834 1.579 450 HZ1 LYS 53 3HZ LYS 53 11.940 -5.957 3.857 451 HZ2 LYS 53 1HZ LYS 53 12.351 -7.138 2.727 452 HZ3 LYS 53 2HZ LYS 53 11.062 -7.394 3.817 453 H LEU 54 H LEU 54 7.338 -2.805 0.717 454 HA LEU 54 HA LEU 54 7.329 -1.015 3.028 455 HB2 LEU 54 2HB LEU 54 5.215 -3.054 2.370 456 HB3 LEU 54 1HB LEU 54 5.090 -1.647 3.346 457 HG LEU 54 HG LEU 54 5.363 -1.510 0.356 458 HD11 LEU 54 1HD1 LEU 54 3.223 -2.457 1.044 459 HD12 LEU 54 2HD1 LEU 54 3.019 -0.831 0.390 460 HD13 LEU 54 3HD1 LEU 54 2.966 -1.098 2.134 461 HD21 LEU 54 3HD2 LEU 54 6.299 0.407 1.506 462 HD22 LEU 54 1HD2 LEU 54 4.805 0.598 2.429 463 HD23 LEU 54 2HD2 LEU 54 4.795 0.832 0.679 464 HA PRO 55 HA PRO 55 8.609 -4.383 5.638 465 HB2 PRO 55 2HB PRO 55 6.230 -4.108 7.390 466 HB3 PRO 55 1HB PRO 55 7.935 -3.882 7.789 467 HG2 PRO 55 2HG PRO 55 6.309 -1.774 7.612 468 HG3 PRO 55 1HG PRO 55 7.974 -1.690 6.994 469 HD2 PRO 55 2HD PRO 55 5.434 -2.203 5.479 470 HD3 PRO 55 1HD PRO 55 6.689 -1.070 5.028 471 H ASP 56 H ASP 56 8.342 -6.534 5.686 472 HA ASP 56 HA ASP 56 6.692 -7.920 3.971 473 HB2 ASP 56 2HB ASP 56 7.916 -8.957 6.542 474 HB3 ASP 56 1HB ASP 56 7.211 -9.955 5.293 475 H ASP 57 H ASP 57 6.210 -7.236 7.348 476 HA ASP 57 HA ASP 57 3.715 -8.736 7.417 477 HB2 ASP 57 2HB ASP 57 5.428 -7.552 9.594 478 HB3 ASP 57 1HB ASP 57 3.860 -8.289 9.893 479 H TYR 58 H TYR 58 4.181 -5.849 6.263 480 HA TYR 58 HA TYR 58 2.429 -4.273 7.937 481 HB2 TYR 58 2HB TYR 58 4.317 -3.252 6.780 482 HB3 TYR 58 1HB TYR 58 3.681 -3.768 5.227 483 HD1 TYR 58 2HD TYR 58 2.881 -1.623 8.170 484 HD2 TYR 58 1HD TYR 58 2.355 -2.292 4.007 485 HE1 TYR 58 2HE TYR 58 1.747 0.547 7.968 486 HE2 TYR 58 1HE TYR 58 1.226 -0.115 3.788 487 HH TYR 58 HH TYR 58 1.224 2.214 6.282 488 HA PRO 59 HA PRO 59 -1.020 -6.082 5.797 489 HB2 PRO 59 2HB PRO 59 -3.006 -4.785 7.097 490 HB3 PRO 59 1HB PRO 59 -2.112 -6.132 7.807 491 HG2 PRO 59 2HG PRO 59 -1.850 -3.215 8.301 492 HG3 PRO 59 1HG PRO 59 -1.652 -4.569 9.426 493 HD2 PRO 59 2HD PRO 59 0.425 -3.171 8.221 494 HD3 PRO 59 1HD PRO 59 0.567 -4.797 8.903 495 H ILE 60 H ILE 60 -1.361 -5.509 3.796 496 HA ILE 60 HA ILE 60 -2.142 -2.771 3.277 497 HB ILE 60 HB ILE 60 -1.406 -3.112 0.902 498 HG12 ILE 60 2HG1 ILE 60 -0.016 -5.584 1.965 499 HG13 ILE 60 1HG1 ILE 60 -1.458 -5.627 0.949 500 HG21 ILE 60 1HG2 ILE 60 1.004 -2.906 1.409 501 HG22 ILE 60 2HG2 ILE 60 0.655 -3.426 3.065 502 HG23 ILE 60 3HG2 ILE 60 -0.021 -1.923 2.459 503 HD11 ILE 60 3HD1 ILE 60 0.567 -6.045 -0.346 504 HD12 ILE 60 1HD1 ILE 60 1.226 -4.496 0.175 505 HD13 ILE 60 2HD1 ILE 60 -0.204 -4.543 -0.857 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -14.526 3.908 10.679 2 H2 MET 1 2HT MET 1 -13.004 4.076 11.374 3 H3 MET 1 3HT MET 1 -14.123 3.018 12.072 4 HA MET 1 HA MET 1 -12.433 1.850 10.880 5 HB2 MET 1 2HB MET 1 -14.832 1.028 10.997 6 HB3 MET 1 1HB MET 1 -15.098 1.747 9.424 7 HG2 MET 1 2HG MET 1 -13.044 -0.404 9.929 8 HG3 MET 1 1HG MET 1 -14.705 -0.750 9.486 9 HE1 MET 1 2HE MET 1 -15.377 1.486 7.342 10 HE2 MET 1 3HE MET 1 -15.747 -0.223 7.109 11 HE3 MET 1 1HE MET 1 -14.907 0.681 5.848 12 H SER 2 H SER 2 -10.849 2.417 9.636 13 HA SER 2 HA SER 2 -9.580 3.052 7.947 14 HB2 SER 2 2HB SER 2 -12.133 3.208 6.318 15 HB3 SER 2 1HB SER 2 -10.498 3.311 5.655 16 HG SER 2 HG SER 2 -11.887 1.114 6.670 17 H SER 3 H SER 3 -8.506 4.828 8.043 18 HA SER 3 HA SER 3 -9.796 7.274 8.826 19 HB2 SER 3 2HB SER 3 -6.899 6.838 8.140 20 HB3 SER 3 1HB SER 3 -7.598 8.011 9.261 21 HG SER 3 HG SER 3 -8.361 6.113 10.449 22 H GLY 4 H GLY 4 -8.559 5.817 5.943 23 HA2 GLY 4 2HA GLY 4 -9.209 6.699 3.790 24 HA3 GLY 4 1HA GLY 4 -8.994 8.320 4.455 25 H LYS 5 H LYS 5 -6.633 7.401 5.927 26 HA LYS 5 HA LYS 5 -4.652 6.924 3.852 27 HB2 LYS 5 2HB LYS 5 -4.587 9.198 5.827 28 HB3 LYS 5 1HB LYS 5 -3.206 8.662 4.898 29 HG2 LYS 5 2HG LYS 5 -4.374 9.285 2.836 30 HG3 LYS 5 1HG LYS 5 -5.741 9.857 3.810 31 HD2 LYS 5 2HD LYS 5 -4.244 11.395 4.975 32 HD3 LYS 5 1HD LYS 5 -2.918 10.796 3.973 33 HE2 LYS 5 2HE LYS 5 -3.898 11.697 1.992 34 HE3 LYS 5 1HE LYS 5 -5.397 12.086 2.829 35 HZ1 LYS 5 3HZ LYS 5 -4.020 14.034 2.484 36 HZ2 LYS 5 1HZ LYS 5 -2.757 13.353 3.362 37 HZ3 LYS 5 2HZ LYS 5 -4.209 13.730 4.128 38 H LYS 6 H LYS 6 -2.865 5.958 4.669 39 HA LYS 6 HA LYS 6 -2.599 5.546 7.511 40 HB2 LYS 6 2HB LYS 6 -4.147 3.735 6.791 41 HB3 LYS 6 1HB LYS 6 -2.944 3.171 5.647 42 HG2 LYS 6 2HG LYS 6 -1.452 2.567 7.460 43 HG3 LYS 6 1HG LYS 6 -2.585 3.228 8.641 44 HD2 LYS 6 2HD LYS 6 -3.185 0.926 6.771 45 HD3 LYS 6 1HD LYS 6 -2.696 0.745 8.454 46 HE2 LYS 6 2HE LYS 6 -4.708 1.962 9.175 47 HE3 LYS 6 1HE LYS 6 -5.196 2.169 7.496 48 HZ1 LYS 6 3HZ LYS 6 -5.432 -0.221 7.294 49 HZ2 LYS 6 1HZ LYS 6 -6.354 0.317 8.585 50 HZ3 LYS 6 2HZ LYS 6 -4.900 -0.457 8.864 51 HA PRO 7 HA PRO 7 1.344 6.116 5.375 52 HB2 PRO 7 2HB PRO 7 2.481 7.608 7.353 53 HB3 PRO 7 1HB PRO 7 1.472 8.277 6.073 54 HG2 PRO 7 2HG PRO 7 0.844 7.831 8.917 55 HG3 PRO 7 1HG PRO 7 0.153 8.981 7.761 56 HD2 PRO 7 2HD PRO 7 -0.999 6.564 8.633 57 HD3 PRO 7 1HD PRO 7 -1.563 7.586 7.299 58 H VAL 8 H VAL 8 3.540 5.609 5.901 59 HA VAL 8 HA VAL 8 3.904 3.878 8.221 60 HB VAL 8 HB VAL 8 3.315 2.488 6.152 61 HG11 VAL 8 1HG1 VAL 8 5.939 3.451 5.114 62 HG12 VAL 8 2HG1 VAL 8 4.344 3.772 4.441 63 HG13 VAL 8 3HG1 VAL 8 4.985 2.127 4.445 64 HG21 VAL 8 3HG2 VAL 8 6.037 2.036 7.364 65 HG22 VAL 8 1HG2 VAL 8 5.089 0.831 6.494 66 HG23 VAL 8 2HG2 VAL 8 4.493 1.483 8.019 67 H LYS 9 H LYS 9 6.102 3.778 8.883 68 HA LYS 9 HA LYS 9 7.716 6.035 8.310 69 HB2 LYS 9 2HB LYS 9 7.724 3.839 10.156 70 HB3 LYS 9 1HB LYS 9 9.295 3.915 9.390 71 HG2 LYS 9 2HG LYS 9 7.954 6.216 10.791 72 HG3 LYS 9 1HG LYS 9 9.169 5.155 11.507 73 HD2 LYS 9 2HD LYS 9 10.780 5.860 9.796 74 HD3 LYS 9 1HD LYS 9 9.559 6.914 9.085 75 HE2 LYS 9 2HE LYS 9 11.110 8.154 10.508 76 HE3 LYS 9 1HE LYS 9 9.466 8.227 11.134 77 HZ1 LYS 9 3HZ LYS 9 10.063 6.529 12.756 78 HZ2 LYS 9 1HZ LYS 9 11.064 7.867 12.881 79 HZ3 LYS 9 2HZ LYS 9 11.651 6.473 12.160 80 H VAL 10 H VAL 10 8.605 6.266 6.334 81 HA VAL 10 HA VAL 10 9.952 3.937 5.236 82 HB VAL 10 HB VAL 10 7.788 4.303 4.146 83 HG11 VAL 10 1HG1 VAL 10 7.415 6.222 2.666 84 HG12 VAL 10 2HG1 VAL 10 8.875 6.971 3.315 85 HG13 VAL 10 3HG1 VAL 10 7.499 6.656 4.372 86 HG21 VAL 10 3HG2 VAL 10 9.503 3.265 2.862 87 HG22 VAL 10 1HG2 VAL 10 10.139 4.833 2.345 88 HG23 VAL 10 2HG2 VAL 10 8.529 4.300 1.827 89 H LYS 11 H LYS 11 11.804 4.359 4.111 90 HA LYS 11 HA LYS 11 13.161 6.808 4.804 91 HB2 LYS 11 2HB LYS 11 14.153 4.453 3.177 92 HB3 LYS 11 1HB LYS 11 15.139 5.750 3.836 93 HG2 LYS 11 2HG LYS 11 14.512 5.005 6.119 94 HG3 LYS 11 1HG LYS 11 13.636 3.657 5.397 95 HD2 LYS 11 2HD LYS 11 15.744 2.897 4.360 96 HD3 LYS 11 1HD LYS 11 16.586 4.221 5.162 97 HE2 LYS 11 2HE LYS 11 15.093 1.986 6.541 98 HE3 LYS 11 1HE LYS 11 16.841 2.103 6.378 99 HZ1 LYS 11 3HZ LYS 11 16.764 4.136 7.762 100 HZ2 LYS 11 1HZ LYS 11 16.092 2.819 8.549 101 HZ3 LYS 11 2HZ LYS 11 15.095 3.981 7.910 102 H THR 12 H THR 12 13.494 8.450 3.462 103 HA THR 12 HA THR 12 12.120 8.378 0.917 104 HB THR 12 HB THR 12 12.507 10.796 0.884 105 HG1 THR 12 1HG THR 12 13.683 10.414 3.444 106 HG21 THR 12 3HG2 THR 12 10.525 9.966 2.074 107 HG22 THR 12 1HG2 THR 12 11.171 11.410 2.863 108 HG23 THR 12 2HG2 THR 12 11.477 9.817 3.554 109 HA PRO 13 HA PRO 13 15.943 8.393 -1.509 110 HB2 PRO 13 2HB PRO 13 14.809 10.406 -3.326 111 HB3 PRO 13 1HB PRO 13 15.184 8.708 -3.642 112 HG2 PRO 13 2HG PRO 13 12.654 9.607 -3.525 113 HG3 PRO 13 1HG PRO 13 13.117 7.981 -2.996 114 HD2 PRO 13 2HD PRO 13 12.632 10.435 -1.354 115 HD3 PRO 13 1HD PRO 13 12.078 8.774 -1.069 116 H ALA 14 H ALA 14 14.538 11.081 -0.039 117 HA ALA 14 HA ALA 14 16.602 12.981 -0.625 118 HB1 ALA 14 1HB ALA 14 15.391 14.439 0.891 119 HB2 ALA 14 2HB ALA 14 14.400 13.085 1.425 120 HB3 ALA 14 3HB ALA 14 14.275 13.668 -0.238 121 H GLY 15 H GLY 15 16.396 10.329 1.428 122 HA2 GLY 15 2HA GLY 15 18.410 9.620 2.513 123 HA3 GLY 15 1HA GLY 15 18.804 11.301 2.806 124 H LYS 16 H LYS 16 15.773 11.350 3.710 125 HA LYS 16 HA LYS 16 16.449 10.398 6.393 126 HB2 LYS 16 2HB LYS 16 14.846 12.188 7.299 127 HB3 LYS 16 1HB LYS 16 16.421 12.713 6.749 128 HG2 LYS 16 2HG LYS 16 13.964 12.916 5.021 129 HG3 LYS 16 1HG LYS 16 14.387 14.158 6.199 130 HD2 LYS 16 2HD LYS 16 16.637 14.314 5.077 131 HD3 LYS 16 1HD LYS 16 16.003 13.223 3.845 132 HE2 LYS 16 2HE LYS 16 14.315 14.824 3.228 133 HE3 LYS 16 1HE LYS 16 14.807 15.898 4.540 134 HZ1 LYS 16 3HZ LYS 16 16.505 15.158 2.193 135 HZ2 LYS 16 1HZ LYS 16 16.968 16.116 3.490 136 HZ3 LYS 16 2HZ LYS 16 15.765 16.651 2.477 137 H GLU 17 H GLU 17 14.308 10.214 7.827 138 HA GLU 17 HA GLU 17 12.599 8.546 6.140 139 HB2 GLU 17 2HB GLU 17 12.934 8.485 9.130 140 HB3 GLU 17 1HB GLU 17 11.892 7.431 8.189 141 HG2 GLU 17 2HG GLU 17 13.975 6.682 7.003 142 HG3 GLU 17 1HG GLU 17 14.877 7.513 8.270 143 H ALA 18 H ALA 18 10.382 8.601 6.443 144 HA ALA 18 HA ALA 18 9.206 10.623 8.113 145 HB1 ALA 18 1HB ALA 18 8.020 11.694 6.228 146 HB2 ALA 18 2HB ALA 18 8.974 10.732 5.096 147 HB3 ALA 18 3HB ALA 18 9.767 11.929 6.116 148 H GLU 19 H GLU 19 6.972 10.197 8.342 149 HA GLU 19 HA GLU 19 6.213 7.548 7.438 150 HB2 GLU 19 2HB GLU 19 4.780 9.525 9.246 151 HB3 GLU 19 1HB GLU 19 4.230 7.896 8.883 152 HG2 GLU 19 2HG GLU 19 6.073 6.923 9.991 153 HG3 GLU 19 1HG GLU 19 6.877 8.478 10.169 154 H LEU 20 H LEU 20 5.563 7.521 5.471 155 HA LEU 20 HA LEU 20 4.043 9.803 4.411 156 HB2 LEU 20 2HB LEU 20 5.894 7.871 3.052 157 HB3 LEU 20 1HB LEU 20 4.937 9.071 2.186 158 HG LEU 20 HG LEU 20 7.198 9.582 4.136 159 HD11 LEU 20 1HD1 LEU 20 8.358 10.461 2.179 160 HD12 LEU 20 2HD1 LEU 20 6.994 10.000 1.163 161 HD13 LEU 20 3HD1 LEU 20 7.946 8.759 1.987 162 HD21 LEU 20 3HD2 LEU 20 6.969 11.935 3.502 163 HD22 LEU 20 1HD2 LEU 20 5.504 11.344 4.299 164 HD23 LEU 20 2HD2 LEU 20 5.554 11.524 2.538 165 H VAL 21 H VAL 21 2.290 9.357 3.106 166 HA VAL 21 HA VAL 21 1.155 6.743 3.580 167 HB VAL 21 HB VAL 21 -0.233 8.663 4.182 168 HG11 VAL 21 1HG1 VAL 21 0.554 10.334 2.674 169 HG12 VAL 21 2HG1 VAL 21 -1.194 10.161 2.493 170 HG13 VAL 21 3HG1 VAL 21 -0.108 9.463 1.288 171 HG21 VAL 21 3HG2 VAL 21 -2.298 8.076 2.936 172 HG22 VAL 21 1HG2 VAL 21 -1.402 6.667 3.516 173 HG23 VAL 21 2HG2 VAL 21 -1.304 7.136 1.820 174 HA PRO 22 HA PRO 22 2.341 5.547 -0.482 175 HB2 PRO 22 2HB PRO 22 0.983 3.175 -0.544 176 HB3 PRO 22 1HB PRO 22 2.546 3.388 0.250 177 HG2 PRO 22 2HG PRO 22 -0.186 3.308 1.432 178 HG3 PRO 22 1HG PRO 22 1.338 2.656 2.059 179 HD2 PRO 22 2HD PRO 22 0.224 4.973 2.954 180 HD3 PRO 22 1HD PRO 22 1.970 4.667 2.965 181 H GLU 23 H GLU 23 1.550 6.002 -2.328 182 HA GLU 23 HA GLU 23 -1.136 6.956 -2.683 183 HB2 GLU 23 2HB GLU 23 1.037 7.873 -3.696 184 HB3 GLU 23 1HB GLU 23 1.046 6.472 -4.740 185 HG2 GLU 23 2HG GLU 23 -1.166 8.517 -4.706 186 HG3 GLU 23 1HG GLU 23 0.244 8.635 -5.740 187 H LYS 24 H LYS 24 0.851 4.299 -3.812 188 HA LYS 24 HA LYS 24 -1.517 2.716 -4.499 189 HB2 LYS 24 2HB LYS 24 -0.606 3.836 -6.495 190 HB3 LYS 24 1HB LYS 24 0.959 3.101 -6.196 191 HG2 LYS 24 2HG LYS 24 -0.107 0.870 -6.527 192 HG3 LYS 24 1HG LYS 24 -1.599 1.703 -6.968 193 HD2 LYS 24 2HD LYS 24 1.067 1.950 -8.378 194 HD3 LYS 24 1HD LYS 24 -0.349 1.086 -8.979 195 HE2 LYS 24 2HE LYS 24 -1.599 3.194 -9.080 196 HE3 LYS 24 1HE LYS 24 -0.212 4.054 -8.421 197 HZ1 LYS 24 3HZ LYS 24 1.047 3.384 -10.399 198 HZ2 LYS 24 1HZ LYS 24 -0.291 4.341 -10.758 199 HZ3 LYS 24 2HZ LYS 24 -0.364 2.692 -11.042 200 H VAL 25 H VAL 25 -1.178 0.494 -3.988 201 HA VAL 25 HA VAL 25 1.506 -0.240 -3.077 202 HB VAL 25 HB VAL 25 0.596 -1.587 -1.236 203 HG11 VAL 25 1HG1 VAL 25 -0.309 1.273 -1.086 204 HG12 VAL 25 2HG1 VAL 25 1.298 0.658 -0.710 205 HG13 VAL 25 3HG1 VAL 25 -0.080 0.199 0.293 206 HG21 VAL 25 3HG2 VAL 25 -2.089 -0.392 -1.930 207 HG22 VAL 25 1HG2 VAL 25 -1.743 -1.391 -0.518 208 HG23 VAL 25 2HG2 VAL 25 -1.618 -2.079 -2.139 209 H TRP 26 H TRP 26 2.148 -2.311 -3.494 210 HA TRP 26 HA TRP 26 0.289 -4.217 -4.568 211 HB2 TRP 26 2HB TRP 26 1.624 -4.598 -6.635 212 HB3 TRP 26 1HB TRP 26 0.867 -3.017 -6.606 213 HD1 TRP 26 HD TRP 26 4.215 -4.710 -6.885 214 HE1 TRP 26 1HE TRP 26 6.046 -2.937 -7.271 215 HE3 TRP 26 3HE TRP 26 1.522 -0.549 -5.873 216 HZ2 TRP 26 2HZ TRP 26 6.297 -0.135 -7.154 217 HZ3 TRP 26 3HZ TRP 26 2.611 1.660 -6.032 218 HH2 TRP 26 HH TRP 26 4.947 1.857 -6.652 219 H ALA 27 H ALA 27 1.426 -6.328 -4.914 220 HA ALA 27 HA ALA 27 3.875 -6.511 -3.326 221 HB1 ALA 27 1HB ALA 27 3.022 -8.428 -2.094 222 HB2 ALA 27 2HB ALA 27 1.458 -8.256 -2.897 223 HB3 ALA 27 3HB ALA 27 2.036 -6.995 -1.808 224 H LEU 28 H LEU 28 5.266 -7.964 -4.012 225 HA LEU 28 HA LEU 28 4.500 -9.553 -6.337 226 HB2 LEU 28 2HB LEU 28 7.242 -8.688 -5.383 227 HB3 LEU 28 1HB LEU 28 6.987 -9.814 -6.693 228 HG LEU 28 HG LEU 28 5.777 -7.944 -7.916 229 HD11 LEU 28 1HD1 LEU 28 7.020 -6.241 -5.774 230 HD12 LEU 28 2HD1 LEU 28 5.295 -6.500 -6.025 231 HD13 LEU 28 3HD1 LEU 28 6.245 -5.652 -7.245 232 HD21 LEU 28 3HD2 LEU 28 7.835 -6.871 -8.648 233 HD22 LEU 28 1HD2 LEU 28 8.055 -8.612 -8.466 234 HD23 LEU 28 2HD2 LEU 28 8.674 -7.504 -7.236 235 H ALA 29 H ALA 29 3.763 -11.410 -5.611 236 HA ALA 29 HA ALA 29 5.409 -12.880 -3.688 237 HB1 ALA 29 1HB ALA 29 3.216 -12.316 -2.752 238 HB2 ALA 29 2HB ALA 29 3.351 -14.054 -3.014 239 HB3 ALA 29 3HB ALA 29 2.423 -13.065 -4.139 240 HA PRO 30 HA PRO 30 5.698 -15.343 -7.508 241 HB2 PRO 30 2HB PRO 30 8.030 -16.536 -6.185 242 HB3 PRO 30 1HB PRO 30 7.961 -15.626 -7.694 243 HG2 PRO 30 2HG PRO 30 9.113 -14.514 -5.546 244 HG3 PRO 30 1HG PRO 30 8.078 -13.561 -6.611 245 HD2 PRO 30 2HD PRO 30 7.316 -14.919 -4.046 246 HD3 PRO 30 1HD PRO 30 7.136 -13.206 -4.474 247 H LYS 31 H LYS 31 4.863 -16.140 -4.463 248 HA LYS 31 HA LYS 31 3.697 -17.809 -3.515 249 HB2 LYS 31 2HB LYS 31 3.836 -19.217 -6.193 250 HB3 LYS 31 1HB LYS 31 2.790 -19.668 -4.855 251 HG2 LYS 31 2HG LYS 31 1.567 -17.582 -5.061 252 HG3 LYS 31 1HG LYS 31 2.667 -17.036 -6.329 253 HD2 LYS 31 2HD LYS 31 1.971 -19.023 -7.675 254 HD3 LYS 31 1HD LYS 31 0.756 -19.365 -6.444 255 HE2 LYS 31 2HE LYS 31 0.940 -16.793 -8.018 256 HE3 LYS 31 1HE LYS 31 -0.121 -18.134 -8.415 257 HZ1 LYS 31 3HZ LYS 31 -1.234 -16.362 -7.233 258 HZ2 LYS 31 1HZ LYS 31 -0.242 -16.548 -5.886 259 HZ3 LYS 31 2HZ LYS 31 -1.302 -17.787 -6.348 260 H GLY 32 H GLY 32 4.767 -18.694 -1.978 261 HA2 GLY 32 2HA GLY 32 5.804 -20.622 -1.021 262 HA3 GLY 32 1HA GLY 32 6.598 -20.920 -2.565 263 H ARG 33 H ARG 33 6.553 -17.703 -1.655 264 HA ARG 33 HA ARG 33 9.252 -17.758 -0.497 265 HB2 ARG 33 2HB ARG 33 8.345 -16.086 -2.828 266 HB3 ARG 33 1HB ARG 33 9.914 -15.926 -2.088 267 HG2 ARG 33 2HG ARG 33 10.382 -18.278 -2.791 268 HG3 ARG 33 1HG ARG 33 8.830 -18.279 -3.632 269 HD2 ARG 33 2HD ARG 33 9.676 -16.199 -4.811 270 HD3 ARG 33 1HD ARG 33 11.266 -16.627 -4.181 271 HE ARG 33 HE ARG 33 10.085 -18.835 -5.456 272 HH11 ARG 33 1HH1 ARG 33 11.736 -15.793 -6.175 273 HH12 ARG 33 2HH1 ARG 33 12.137 -16.210 -7.762 274 HH21 ARG 33 1HH2 ARG 33 10.609 -19.414 -7.697 275 HH22 ARG 33 2HH2 ARG 33 11.467 -18.314 -8.644 276 H LYS 34 H LYS 34 9.633 -15.023 -0.388 277 HA LYS 34 HA LYS 34 7.716 -14.210 1.585 278 HB2 LYS 34 2HB LYS 34 10.107 -12.812 0.393 279 HB3 LYS 34 1HB LYS 34 9.135 -12.190 1.714 280 HG2 LYS 34 2HG LYS 34 9.793 -14.052 3.120 281 HG3 LYS 34 1HG LYS 34 10.699 -14.766 1.784 282 HD2 LYS 34 2HD LYS 34 12.173 -13.571 3.350 283 HD3 LYS 34 1HD LYS 34 12.196 -12.861 1.743 284 HE2 LYS 34 2HE LYS 34 12.130 -11.141 3.461 285 HE3 LYS 34 1HE LYS 34 10.671 -11.083 2.486 286 HZ1 LYS 34 3HZ LYS 34 9.618 -12.433 4.354 287 HZ2 LYS 34 1HZ LYS 34 10.012 -10.831 4.693 288 HZ3 LYS 34 2HZ LYS 34 10.995 -12.070 5.265 289 H GLY 35 H GLY 35 6.547 -12.219 1.472 290 HA2 GLY 35 2HA GLY 35 5.619 -11.651 -1.242 291 HA3 GLY 35 1HA GLY 35 4.758 -11.279 0.254 292 H VAL 36 H VAL 36 6.851 -10.105 -2.121 293 HA VAL 36 HA VAL 36 7.983 -8.050 -0.437 294 HB VAL 36 HB VAL 36 8.148 -8.309 -3.453 295 HG11 VAL 36 1HG1 VAL 36 8.673 -6.067 -2.656 296 HG12 VAL 36 2HG1 VAL 36 10.121 -6.872 -3.255 297 HG13 VAL 36 3HG1 VAL 36 9.846 -6.731 -1.518 298 HG21 VAL 36 3HG2 VAL 36 10.083 -9.280 -1.348 299 HG22 VAL 36 1HG2 VAL 36 10.350 -9.324 -3.089 300 HG23 VAL 36 2HG2 VAL 36 9.068 -10.297 -2.369 301 H LYS 37 H LYS 37 6.464 -6.748 0.255 302 HA LYS 37 HA LYS 37 4.391 -5.675 -1.452 303 HB2 LYS 37 2HB LYS 37 5.136 -5.128 1.423 304 HB3 LYS 37 1HB LYS 37 3.709 -4.489 0.619 305 HG2 LYS 37 2HG LYS 37 2.837 -6.726 0.322 306 HG3 LYS 37 1HG LYS 37 4.309 -7.412 0.998 307 HD2 LYS 37 2HD LYS 37 3.814 -6.367 3.164 308 HD3 LYS 37 1HD LYS 37 2.379 -5.622 2.463 309 HE2 LYS 37 2HE LYS 37 1.360 -7.737 2.069 310 HE3 LYS 37 1HE LYS 37 2.817 -8.603 2.525 311 HZ1 LYS 37 3HZ LYS 37 1.269 -6.883 4.377 312 HZ2 LYS 37 1HZ LYS 37 2.550 -7.916 4.766 313 HZ3 LYS 37 2HZ LYS 37 1.082 -8.555 4.250 314 H ILE 38 H ILE 38 4.498 -3.728 -2.463 315 HA ILE 38 HA ILE 38 6.629 -1.893 -1.673 316 HB ILE 38 HB ILE 38 5.950 -2.598 -4.561 317 HG12 ILE 38 2HG1 ILE 38 8.401 -3.284 -2.921 318 HG13 ILE 38 1HG1 ILE 38 7.182 -4.426 -3.459 319 HG21 ILE 38 1HG2 ILE 38 7.904 -1.202 -5.125 320 HG22 ILE 38 2HG2 ILE 38 8.105 -0.803 -3.415 321 HG23 ILE 38 3HG2 ILE 38 6.665 -0.275 -4.279 322 HD11 ILE 38 3HD1 ILE 38 9.188 -4.575 -4.821 323 HD12 ILE 38 1HD1 ILE 38 9.047 -2.867 -5.241 324 HD13 ILE 38 2HD1 ILE 38 7.823 -4.015 -5.787 325 H GLY 39 H GLY 39 6.042 0.205 -1.780 326 HA2 GLY 39 2HA GLY 39 3.405 0.796 -2.899 327 HA3 GLY 39 1HA GLY 39 3.863 1.404 -1.312 328 H LEU 40 H LEU 40 3.167 2.783 -3.700 329 HA LEU 40 HA LEU 40 5.663 4.111 -4.420 330 HB2 LEU 40 2HB LEU 40 4.067 3.475 -6.197 331 HB3 LEU 40 1HB LEU 40 2.852 4.489 -5.486 332 HG LEU 40 HG LEU 40 4.347 6.456 -5.928 333 HD11 LEU 40 1HD1 LEU 40 5.911 4.392 -7.464 334 HD12 LEU 40 2HD1 LEU 40 6.477 5.298 -6.059 335 HD13 LEU 40 3HD1 LEU 40 6.143 6.130 -7.576 336 HD21 LEU 40 3HD2 LEU 40 3.573 4.788 -8.292 337 HD22 LEU 40 1HD2 LEU 40 3.904 6.520 -8.300 338 HD23 LEU 40 2HD2 LEU 40 2.510 5.892 -7.401 339 H PHE 41 H PHE 41 6.172 5.967 -3.476 340 HA PHE 41 HA PHE 41 4.168 7.410 -1.846 341 HB2 PHE 41 2HB PHE 41 7.130 7.085 -1.390 342 HB3 PHE 41 1HB PHE 41 6.065 8.055 -0.425 343 HD1 PHE 41 1HD PHE 41 4.496 6.983 1.120 344 HD2 PHE 41 2HD PHE 41 7.195 4.689 -1.228 345 HE1 PHE 41 1HE PHE 41 4.104 5.046 2.567 346 HE2 PHE 41 2HE PHE 41 6.805 2.745 0.211 347 HZ PHE 41 HZ PHE 41 5.261 2.919 2.112 348 H LYS 42 H LYS 42 4.911 9.725 -1.530 349 HA LYS 42 HA LYS 42 6.443 10.673 -3.840 350 HB2 LYS 42 2HB LYS 42 3.996 11.245 -3.970 351 HB3 LYS 42 1HB LYS 42 4.164 12.102 -2.449 352 HG2 LYS 42 2HG LYS 42 5.766 13.649 -3.516 353 HG3 LYS 42 1HG LYS 42 5.542 12.791 -5.039 354 HD2 LYS 42 2HD LYS 42 3.195 13.368 -5.078 355 HD3 LYS 42 1HD LYS 42 3.318 14.140 -3.501 356 HE2 LYS 42 2HE LYS 42 3.316 15.854 -5.189 357 HE3 LYS 42 1HE LYS 42 4.927 15.763 -4.487 358 HZ1 LYS 42 3HZ LYS 42 4.108 14.608 -7.107 359 HZ2 LYS 42 1HZ LYS 42 5.662 14.503 -6.454 360 HZ3 LYS 42 2HZ LYS 42 5.007 15.980 -6.878 361 H ASP 43 H ASP 43 8.264 11.531 -3.217 362 HA ASP 43 HA ASP 43 8.985 11.852 -0.497 363 HB2 ASP 43 2HB ASP 43 10.623 11.317 -2.252 364 HB3 ASP 43 1HB ASP 43 10.342 12.881 -3.005 365 HA PRO 44 HA PRO 44 7.254 15.865 0.137 366 HB2 PRO 44 2HB PRO 44 8.408 16.497 2.500 367 HB3 PRO 44 1HB PRO 44 7.132 15.283 2.350 368 HG2 PRO 44 2HG PRO 44 10.093 14.899 2.571 369 HG3 PRO 44 1HG PRO 44 8.787 13.991 3.348 370 HD2 PRO 44 2HD PRO 44 10.111 13.113 1.133 371 HD3 PRO 44 1HD PRO 44 8.430 12.682 1.501 372 H GLU 45 H GLU 45 10.706 15.476 -0.151 373 HA GLU 45 HA GLU 45 11.074 18.376 -0.062 374 HB2 GLU 45 2HB GLU 45 12.548 17.025 1.351 375 HB3 GLU 45 1HB GLU 45 13.129 16.169 -0.066 376 HG2 GLU 45 2HG GLU 45 14.123 18.187 -0.927 377 HG3 GLU 45 1HG GLU 45 13.456 19.120 0.413 378 H THR 46 H THR 46 11.896 15.611 -2.072 379 HA THR 46 HA THR 46 12.679 17.361 -4.236 380 HB THR 46 HB THR 46 13.254 15.251 -5.423 381 HG1 THR 46 1HG THR 46 12.440 14.036 -2.971 382 HG21 THR 46 3HG2 THR 46 15.099 14.573 -3.935 383 HG22 THR 46 1HG2 THR 46 14.333 15.433 -2.599 384 HG23 THR 46 2HG2 THR 46 14.940 16.330 -3.990 385 H GLY 47 H GLY 47 9.994 15.383 -3.292 386 HA2 GLY 47 2HA GLY 47 7.831 15.641 -4.033 387 HA3 GLY 47 1HA GLY 47 8.452 16.569 -5.390 388 H LYS 48 H LYS 48 10.299 13.885 -5.303 389 HA LYS 48 HA LYS 48 8.984 12.867 -7.641 390 HB2 LYS 48 2HB LYS 48 10.877 11.346 -7.846 391 HB3 LYS 48 1HB LYS 48 11.441 12.970 -7.499 392 HG2 LYS 48 2HG LYS 48 11.737 12.316 -5.121 393 HG3 LYS 48 1HG LYS 48 11.269 10.673 -5.548 394 HD2 LYS 48 2HD LYS 48 13.690 10.813 -5.440 395 HD3 LYS 48 1HD LYS 48 13.206 10.583 -7.119 396 HE2 LYS 48 2HE LYS 48 13.510 12.955 -7.558 397 HE3 LYS 48 1HE LYS 48 13.876 13.241 -5.857 398 HZ1 LYS 48 3HZ LYS 48 15.507 11.609 -7.729 399 HZ2 LYS 48 1HZ LYS 48 15.875 11.898 -6.112 400 HZ3 LYS 48 2HZ LYS 48 15.863 13.161 -7.205 401 H TYR 49 H TYR 49 7.978 10.902 -7.931 402 HA TYR 49 HA TYR 49 6.958 9.652 -5.539 403 HB2 TYR 49 2HB TYR 49 6.409 9.245 -8.479 404 HB3 TYR 49 1HB TYR 49 5.855 8.102 -7.271 405 HD1 TYR 49 1HD TYR 49 4.124 8.703 -5.698 406 HD2 TYR 49 2HD TYR 49 5.362 11.400 -8.735 407 HE1 TYR 49 1HE TYR 49 2.080 9.994 -5.356 408 HE2 TYR 49 2HE TYR 49 3.319 12.721 -8.390 409 HH TYR 49 HH TYR 49 1.035 12.244 -7.546 410 H PHE 50 H PHE 50 7.830 7.920 -4.657 411 HA PHE 50 HA PHE 50 9.703 6.425 -6.336 412 HB2 PHE 50 2HB PHE 50 11.233 6.186 -4.461 413 HB3 PHE 50 1HB PHE 50 10.972 7.883 -4.812 414 HD1 PHE 50 2HD PHE 50 9.410 9.197 -3.274 415 HD2 PHE 50 1HD PHE 50 10.854 5.306 -2.331 416 HE1 PHE 50 2HE PHE 50 8.893 9.577 -0.897 417 HE2 PHE 50 1HE PHE 50 10.341 5.682 0.038 418 HZ PHE 50 HZ PHE 50 9.365 7.815 0.759 419 H ARG 51 H ARG 51 9.593 4.252 -6.146 420 HA ARG 51 HA ARG 51 7.486 3.274 -4.452 421 HB2 ARG 51 2HB ARG 51 7.673 1.234 -5.814 422 HB3 ARG 51 1HB ARG 51 7.251 2.642 -6.768 423 HG2 ARG 51 2HG ARG 51 9.634 2.752 -7.502 424 HG3 ARG 51 1HG ARG 51 9.909 1.267 -6.584 425 HD2 ARG 51 2HD ARG 51 8.230 0.109 -7.958 426 HD3 ARG 51 1HD ARG 51 7.973 1.589 -8.882 427 HE ARG 51 HE ARG 51 10.690 0.814 -8.915 428 HH11 ARG 51 1HH1 ARG 51 7.556 -0.013 -10.356 429 HH12 ARG 51 2HH1 ARG 51 8.227 -0.752 -11.737 430 HH21 ARG 51 1HH2 ARG 51 11.601 -0.203 -10.885 431 HH22 ARG 51 2HH2 ARG 51 10.528 -0.849 -12.042 432 H HIS 52 H HIS 52 7.910 2.201 -2.689 433 HA HIS 52 HA HIS 52 10.634 1.172 -2.278 434 HB2 HIS 52 2HB HIS 52 10.360 3.480 -1.274 435 HB3 HIS 52 1HB HIS 52 9.102 2.818 -0.246 436 HD1 HIS 52 1HD HIS 52 9.930 1.087 1.656 437 HD2 HIS 52 2HD HIS 52 12.953 3.006 -0.465 438 HE1 HIS 52 1HE HIS 52 11.961 0.864 3.051 439 HE2 HIS 52 2HE HIS 52 13.801 1.626 1.532 440 H LYS 53 H LYS 53 10.699 -0.589 -0.904 441 HA LYS 53 HA LYS 53 8.461 -2.243 -0.757 442 HB2 LYS 53 2HB LYS 53 10.747 -3.111 -0.740 443 HB3 LYS 53 1HB LYS 53 11.061 -2.313 0.793 444 HG2 LYS 53 2HG LYS 53 9.317 -3.729 1.830 445 HG3 LYS 53 1HG LYS 53 9.145 -4.577 0.297 446 HD2 LYS 53 2HD LYS 53 11.415 -5.359 0.416 447 HD3 LYS 53 1HD LYS 53 11.708 -4.376 1.855 448 HE2 LYS 53 2HE LYS 53 9.736 -6.650 1.655 449 HE3 LYS 53 1HE LYS 53 11.318 -6.733 2.425 450 HZ1 LYS 53 3HZ LYS 53 10.590 -5.032 4.003 451 HZ2 LYS 53 1HZ LYS 53 9.586 -6.375 4.073 452 HZ3 LYS 53 2HZ LYS 53 9.079 -4.953 3.304 453 H LEU 54 H LEU 54 7.108 -2.708 0.868 454 HA LEU 54 HA LEU 54 6.892 -0.775 3.056 455 HB2 LEU 54 2HB LEU 54 4.916 -2.940 2.386 456 HB3 LEU 54 1HB LEU 54 4.666 -1.488 3.271 457 HG LEU 54 HG LEU 54 5.128 -1.526 0.301 458 HD11 LEU 54 1HD1 LEU 54 2.774 -0.920 0.152 459 HD12 LEU 54 2HD1 LEU 54 2.621 -1.078 1.905 460 HD13 LEU 54 3HD1 LEU 54 2.976 -2.496 0.922 461 HD21 LEU 54 3HD2 LEU 54 5.944 0.485 1.345 462 HD22 LEU 54 1HD2 LEU 54 4.414 0.683 2.213 463 HD23 LEU 54 2HD2 LEU 54 4.458 0.808 0.452 464 HA PRO 55 HA PRO 55 7.974 -3.949 6.014 465 HB2 PRO 55 2HB PRO 55 5.427 -3.576 7.489 466 HB3 PRO 55 1HB PRO 55 7.079 -3.309 8.053 467 HG2 PRO 55 2HG PRO 55 5.486 -1.241 7.573 468 HG3 PRO 55 1HG PRO 55 7.197 -1.179 7.105 469 HD2 PRO 55 2HD PRO 55 4.813 -1.841 5.407 470 HD3 PRO 55 1HD PRO 55 6.083 -0.706 4.995 471 H ASP 56 H ASP 56 7.634 -6.090 6.326 472 HA ASP 56 HA ASP 56 6.108 -7.502 4.450 473 HB2 ASP 56 2HB ASP 56 7.433 -8.449 7.004 474 HB3 ASP 56 1HB ASP 56 6.764 -9.507 5.770 475 H ASP 57 H ASP 57 5.523 -6.567 7.728 476 HA ASP 57 HA ASP 57 3.119 -8.211 7.914 477 HB2 ASP 57 2HB ASP 57 3.010 -7.560 10.247 478 HB3 ASP 57 1HB ASP 57 4.628 -8.116 9.863 479 H TYR 58 H TYR 58 3.646 -5.388 6.471 480 HA TYR 58 HA TYR 58 1.557 -3.813 7.655 481 HB2 TYR 58 2HB TYR 58 3.470 -2.741 6.591 482 HB3 TYR 58 1HB TYR 58 3.056 -3.492 5.051 483 HD1 TYR 58 1HD TYR 58 1.872 -1.030 7.594 484 HD2 TYR 58 2HD TYR 58 1.552 -2.397 3.577 485 HE1 TYR 58 1HE TYR 58 0.509 0.946 7.033 486 HE2 TYR 58 2HE TYR 58 0.191 -0.435 3.010 487 HH TYR 58 HH TYR 58 -0.176 2.261 5.102 488 HA PRO 59 HA PRO 59 -1.593 -6.014 5.440 489 HB2 PRO 59 2HB PRO 59 -3.694 -4.513 6.280 490 HB3 PRO 59 1HB PRO 59 -2.932 -5.745 7.287 491 HG2 PRO 59 2HG PRO 59 -2.661 -2.789 7.363 492 HG3 PRO 59 1HG PRO 59 -2.624 -3.956 8.694 493 HD2 PRO 59 2HD PRO 59 -0.391 -2.769 7.583 494 HD3 PRO 59 1HD PRO 59 -0.384 -4.304 8.466 495 H ILE 60 H ILE 60 -1.863 -5.776 3.351 496 HA ILE 60 HA ILE 60 -2.531 -3.128 2.375 497 HB ILE 60 HB ILE 60 -1.582 -3.795 0.148 498 HG12 ILE 60 2HG1 ILE 60 -0.324 -6.076 1.688 499 HG13 ILE 60 1HG1 ILE 60 -1.657 -6.279 0.551 500 HG21 ILE 60 1HG2 ILE 60 0.779 -3.495 0.844 501 HG22 ILE 60 2HG2 ILE 60 0.276 -3.793 2.515 502 HG23 ILE 60 3HG2 ILE 60 -0.330 -2.384 1.655 503 HD11 ILE 60 3HD1 ILE 60 1.096 -5.251 -0.095 504 HD12 ILE 60 1HD1 ILE 60 -0.226 -5.455 -1.246 505 HD13 ILE 60 2HD1 ILE 60 0.468 -6.864 -0.445 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -15.857 1.866 8.811 2 H2 MET 1 2HT MET 1 -16.191 3.102 9.889 3 H3 MET 1 3HT MET 1 -15.932 1.562 10.470 4 HA MET 1 HA MET 1 -14.038 2.975 10.875 5 HB2 MET 1 2HB MET 1 -13.656 0.563 10.350 6 HB3 MET 1 1HB MET 1 -13.463 0.993 8.664 7 HG2 MET 1 2HG MET 1 -11.512 2.379 9.270 8 HG3 MET 1 1HG MET 1 -11.694 1.835 10.939 9 HE1 MET 1 2HE MET 1 -8.976 1.548 9.418 10 HE2 MET 1 3HE MET 1 -8.502 -0.111 9.785 11 HE3 MET 1 1HE MET 1 -9.205 0.911 11.042 12 H SER 2 H SER 2 -14.119 2.379 7.323 13 HA SER 2 HA SER 2 -13.453 3.559 5.567 14 HB2 SER 2 2HB SER 2 -14.533 5.904 7.140 15 HB3 SER 2 1HB SER 2 -14.258 5.878 5.398 16 HG SER 2 HG SER 2 -15.927 4.562 5.129 17 H SER 3 H SER 3 -11.231 3.135 5.890 18 HA SER 3 HA SER 3 -9.709 5.550 6.350 19 HB2 SER 3 2HB SER 3 -9.119 2.995 7.863 20 HB3 SER 3 1HB SER 3 -8.145 4.466 7.909 21 HG SER 3 HG SER 3 -10.578 5.212 8.429 22 H GLY 4 H GLY 4 -9.163 5.552 4.230 23 HA2 GLY 4 2HA GLY 4 -7.993 3.169 3.057 24 HA3 GLY 4 1HA GLY 4 -8.404 4.660 2.217 25 H LYS 5 H LYS 5 -7.060 6.265 4.326 26 HA LYS 5 HA LYS 5 -4.406 5.945 3.192 27 HB2 LYS 5 2HB LYS 5 -5.529 8.208 4.816 28 HB3 LYS 5 1HB LYS 5 -3.903 8.132 4.159 29 HG2 LYS 5 2HG LYS 5 -5.016 7.894 1.889 30 HG3 LYS 5 1HG LYS 5 -6.492 8.407 2.704 31 HD2 LYS 5 2HD LYS 5 -3.905 9.898 2.720 32 HD3 LYS 5 1HD LYS 5 -5.224 10.277 1.605 33 HE2 LYS 5 2HE LYS 5 -5.488 11.886 3.312 34 HE3 LYS 5 1HE LYS 5 -6.610 10.628 3.803 35 HZ1 LYS 5 3HZ LYS 5 -4.895 9.828 5.386 36 HZ2 LYS 5 1HZ LYS 5 -5.313 11.424 5.692 37 HZ3 LYS 5 2HZ LYS 5 -3.882 11.070 4.906 38 H LYS 6 H LYS 6 -2.660 5.559 4.265 39 HA LYS 6 HA LYS 6 -2.544 5.478 7.105 40 HB2 LYS 6 2HB LYS 6 -1.815 3.002 7.093 41 HB3 LYS 6 1HB LYS 6 -3.535 3.348 6.974 42 HG2 LYS 6 2HG LYS 6 -3.306 3.076 4.477 43 HG3 LYS 6 1HG LYS 6 -1.665 2.496 4.783 44 HD2 LYS 6 2HD LYS 6 -2.485 0.661 6.077 45 HD3 LYS 6 1HD LYS 6 -4.138 1.277 5.983 46 HE2 LYS 6 2HE LYS 6 -4.089 1.001 3.549 47 HE3 LYS 6 1HE LYS 6 -2.460 0.339 3.661 48 HZ1 LYS 6 3HZ LYS 6 -4.864 -0.873 4.944 49 HZ2 LYS 6 1HZ LYS 6 -3.303 -1.474 4.949 50 HZ3 LYS 6 2HZ LYS 6 -4.143 -1.423 3.515 51 HA PRO 7 HA PRO 7 1.472 6.531 5.452 52 HB2 PRO 7 2HB PRO 7 2.249 8.041 7.597 53 HB3 PRO 7 1HB PRO 7 1.257 8.641 6.265 54 HG2 PRO 7 2HG PRO 7 0.492 8.065 9.028 55 HG3 PRO 7 1HG PRO 7 -0.346 9.020 7.796 56 HD2 PRO 7 2HD PRO 7 -0.917 6.336 8.661 57 HD3 PRO 7 1HD PRO 7 -1.762 7.312 7.445 58 H VAL 8 H VAL 8 3.175 5.286 5.512 59 HA VAL 8 HA VAL 8 3.743 3.766 7.953 60 HB VAL 8 HB VAL 8 3.224 2.440 5.870 61 HG11 VAL 8 1HG1 VAL 8 4.834 2.301 4.074 62 HG12 VAL 8 2HG1 VAL 8 5.719 3.655 4.781 63 HG13 VAL 8 3HG1 VAL 8 4.071 3.885 4.200 64 HG21 VAL 8 3HG2 VAL 8 4.577 1.392 7.589 65 HG22 VAL 8 1HG2 VAL 8 6.037 2.105 6.902 66 HG23 VAL 8 2HG2 VAL 8 5.135 0.897 5.991 67 H LYS 9 H LYS 9 5.904 3.660 8.710 68 HA LYS 9 HA LYS 9 7.494 5.975 8.237 69 HB2 LYS 9 2HB LYS 9 8.009 3.406 9.728 70 HB3 LYS 9 1HB LYS 9 9.108 4.776 9.684 71 HG2 LYS 9 2HG LYS 9 7.514 6.163 10.798 72 HG3 LYS 9 1HG LYS 9 6.295 4.889 10.743 73 HD2 LYS 9 2HD LYS 9 7.385 5.038 12.969 74 HD3 LYS 9 1HD LYS 9 7.652 3.476 12.200 75 HE2 LYS 9 2HE LYS 9 9.696 4.277 13.228 76 HE3 LYS 9 1HE LYS 9 9.881 4.229 11.481 77 HZ1 LYS 9 3HZ LYS 9 10.791 6.255 12.117 78 HZ2 LYS 9 1HZ LYS 9 9.542 6.620 13.213 79 HZ3 LYS 9 2HZ LYS 9 9.278 6.682 11.560 80 H VAL 10 H VAL 10 8.543 6.141 6.377 81 HA VAL 10 HA VAL 10 9.998 3.806 5.428 82 HB VAL 10 HB VAL 10 7.883 3.922 4.231 83 HG11 VAL 10 1HG1 VAL 10 7.377 6.267 4.368 84 HG12 VAL 10 2HG1 VAL 10 7.369 5.762 2.676 85 HG13 VAL 10 3HG1 VAL 10 8.742 6.657 3.323 86 HG21 VAL 10 3HG2 VAL 10 8.700 3.911 1.939 87 HG22 VAL 10 1HG2 VAL 10 9.765 3.038 3.038 88 HG23 VAL 10 2HG2 VAL 10 10.214 4.652 2.477 89 H LYS 11 H LYS 11 11.879 4.252 4.376 90 HA LYS 11 HA LYS 11 12.909 6.917 4.780 91 HB2 LYS 11 2HB LYS 11 14.272 4.332 4.028 92 HB3 LYS 11 1HB LYS 11 15.106 5.875 4.110 93 HG2 LYS 11 2HG LYS 11 14.579 6.075 6.471 94 HG3 LYS 11 1HG LYS 11 13.659 4.571 6.409 95 HD2 LYS 11 2HD LYS 11 15.667 3.332 5.890 96 HD3 LYS 11 1HD LYS 11 16.605 4.822 5.799 97 HE2 LYS 11 2HE LYS 11 16.981 3.668 7.915 98 HE3 LYS 11 1HE LYS 11 16.196 5.222 8.173 99 HZ1 LYS 11 3HZ LYS 11 15.314 3.318 9.487 100 HZ2 LYS 11 1HZ LYS 11 14.732 2.641 8.081 101 HZ3 LYS 11 2HZ LYS 11 14.122 4.116 8.641 102 H THR 12 H THR 12 13.465 8.255 3.283 103 HA THR 12 HA THR 12 12.222 7.948 0.703 104 HB THR 12 HB THR 12 12.949 10.337 0.442 105 HG1 THR 12 1HG THR 12 13.681 10.127 3.168 106 HG21 THR 12 3HG2 THR 12 11.465 9.681 3.004 107 HG22 THR 12 1HG2 THR 12 10.742 9.791 1.398 108 HG23 THR 12 2HG2 THR 12 11.417 11.231 2.167 109 HA PRO 13 HA PRO 13 16.063 7.491 -1.659 110 HB2 PRO 13 2HB PRO 13 15.284 9.607 -3.540 111 HB3 PRO 13 1HB PRO 13 15.440 7.872 -3.824 112 HG2 PRO 13 2HG PRO 13 13.055 9.124 -3.808 113 HG3 PRO 13 1HG PRO 13 13.266 7.442 -3.294 114 HD2 PRO 13 2HD PRO 13 12.990 9.909 -1.639 115 HD3 PRO 13 1HD PRO 13 12.281 8.298 -1.390 116 H ALA 14 H ALA 14 14.845 10.532 -0.625 117 HA ALA 14 HA ALA 14 17.033 12.233 -0.989 118 HB1 ALA 14 1HB ALA 14 14.810 13.032 -0.364 119 HB2 ALA 14 2HB ALA 14 16.010 13.564 0.820 120 HB3 ALA 14 3HB ALA 14 14.942 12.213 1.189 121 H GLY 15 H GLY 15 16.047 10.294 1.806 122 HA2 GLY 15 2HA GLY 15 18.057 8.986 2.692 123 HA3 GLY 15 1HA GLY 15 18.797 10.571 2.836 124 H LYS 16 H LYS 16 15.621 11.030 3.522 125 HA LYS 16 HA LYS 16 16.171 10.668 6.387 126 HB2 LYS 16 2HB LYS 16 14.643 12.456 6.856 127 HB3 LYS 16 1HB LYS 16 15.703 13.014 5.565 128 HG2 LYS 16 2HG LYS 16 13.938 12.537 3.948 129 HG3 LYS 16 1HG LYS 16 12.899 11.991 5.253 130 HD2 LYS 16 2HD LYS 16 13.158 14.248 6.312 131 HD3 LYS 16 1HD LYS 16 13.967 14.779 4.836 132 HE2 LYS 16 2HE LYS 16 11.989 14.202 3.540 133 HE3 LYS 16 1HE LYS 16 11.182 13.641 5.001 134 HZ1 LYS 16 3HZ LYS 16 10.381 15.801 4.684 135 HZ2 LYS 16 1HZ LYS 16 11.896 16.402 4.220 136 HZ3 LYS 16 2HZ LYS 16 11.591 16.014 5.832 137 H GLU 17 H GLU 17 14.329 10.032 7.716 138 HA GLU 17 HA GLU 17 12.581 8.188 6.286 139 HB2 GLU 17 2HB GLU 17 13.981 7.255 8.128 140 HB3 GLU 17 1HB GLU 17 13.209 8.374 9.238 141 HG2 GLU 17 2HG GLU 17 11.057 7.332 8.850 142 HG3 GLU 17 1HG GLU 17 11.800 6.261 7.661 143 H ALA 18 H ALA 18 10.397 8.444 6.372 144 HA ALA 18 HA ALA 18 9.269 10.440 8.140 145 HB1 ALA 18 1HB ALA 18 9.018 10.602 5.132 146 HB2 ALA 18 2HB ALA 18 9.906 11.730 6.157 147 HB3 ALA 18 3HB ALA 18 8.151 11.607 6.294 148 H GLU 19 H GLU 19 6.910 10.342 8.027 149 HA GLU 19 HA GLU 19 6.012 7.629 7.452 150 HB2 GLU 19 2HB GLU 19 4.697 9.918 8.917 151 HB3 GLU 19 1HB GLU 19 3.973 8.335 8.685 152 HG2 GLU 19 2HG GLU 19 5.638 7.292 10.015 153 HG3 GLU 19 1HG GLU 19 6.571 8.787 10.101 154 H LEU 20 H LEU 20 5.426 7.409 5.448 155 HA LEU 20 HA LEU 20 4.063 9.660 4.166 156 HB2 LEU 20 2HB LEU 20 5.940 7.647 2.977 157 HB3 LEU 20 1HB LEU 20 5.047 8.835 2.035 158 HG LEU 20 HG LEU 20 7.222 9.375 4.068 159 HD11 LEU 20 1HD1 LEU 20 8.480 10.194 2.150 160 HD12 LEU 20 2HD1 LEU 20 7.163 9.725 1.081 161 HD13 LEU 20 3HD1 LEU 20 8.057 8.492 1.972 162 HD21 LEU 20 3HD2 LEU 20 7.038 11.722 3.339 163 HD22 LEU 20 1HD2 LEU 20 5.577 11.159 4.152 164 HD23 LEU 20 2HD2 LEU 20 5.609 11.292 2.398 165 H VAL 21 H VAL 21 2.223 9.259 3.143 166 HA VAL 21 HA VAL 21 1.157 6.594 3.321 167 HB VAL 21 HB VAL 21 -0.302 8.421 4.042 168 HG11 VAL 21 1HG1 VAL 21 -1.222 10.070 2.480 169 HG12 VAL 21 2HG1 VAL 21 -0.108 9.494 1.239 170 HG13 VAL 21 3HG1 VAL 21 0.518 10.242 2.709 171 HG21 VAL 21 3HG2 VAL 21 -1.409 6.478 3.129 172 HG22 VAL 21 1HG2 VAL 21 -1.279 7.135 1.498 173 HG23 VAL 21 2HG2 VAL 21 -2.310 7.929 2.686 174 HA PRO 22 HA PRO 22 2.422 5.845 -0.862 175 HB2 PRO 22 2HB PRO 22 1.313 3.380 -1.127 176 HB3 PRO 22 1HB PRO 22 2.802 3.664 -0.218 177 HG2 PRO 22 2HG PRO 22 0.013 3.293 0.785 178 HG3 PRO 22 1HG PRO 22 1.532 2.673 1.449 179 HD2 PRO 22 2HD PRO 22 0.229 4.847 2.445 180 HD3 PRO 22 1HD PRO 22 1.984 4.628 2.561 181 H GLU 23 H GLU 23 1.527 6.128 -2.814 182 HA GLU 23 HA GLU 23 -1.151 7.069 -3.073 183 HB2 GLU 23 2HB GLU 23 0.749 7.805 -4.519 184 HB3 GLU 23 1HB GLU 23 0.784 6.199 -5.233 185 HG2 GLU 23 2HG GLU 23 -1.634 6.590 -5.873 186 HG3 GLU 23 1HG GLU 23 -1.360 8.277 -5.446 187 H LYS 24 H LYS 24 0.535 4.095 -3.758 188 HA LYS 24 HA LYS 24 -1.892 2.575 -3.830 189 HB2 LYS 24 2HB LYS 24 -1.307 1.507 -5.990 190 HB3 LYS 24 1HB LYS 24 -1.708 3.212 -6.177 191 HG2 LYS 24 2HG LYS 24 0.621 3.787 -6.379 192 HG3 LYS 24 1HG LYS 24 1.069 2.128 -5.982 193 HD2 LYS 24 2HD LYS 24 1.282 2.526 -8.376 194 HD3 LYS 24 1HD LYS 24 0.011 1.352 -8.041 195 HE2 LYS 24 2HE LYS 24 -1.675 3.092 -8.313 196 HE3 LYS 24 1HE LYS 24 -0.407 4.280 -8.607 197 HZ1 LYS 24 3HZ LYS 24 -1.376 3.487 -10.662 198 HZ2 LYS 24 1HZ LYS 24 -0.962 1.898 -10.285 199 HZ3 LYS 24 2HZ LYS 24 0.240 3.035 -10.569 200 H VAL 25 H VAL 25 -1.344 0.265 -3.712 201 HA VAL 25 HA VAL 25 1.410 -0.265 -2.899 202 HB VAL 25 HB VAL 25 0.528 -1.745 -1.061 203 HG11 VAL 25 1HG1 VAL 25 -0.217 1.165 -0.822 204 HG12 VAL 25 2HG1 VAL 25 1.378 0.472 -0.526 205 HG13 VAL 25 3HG1 VAL 25 0.025 0.054 0.526 206 HG21 VAL 25 3HG2 VAL 25 -1.805 -1.314 -0.251 207 HG22 VAL 25 1HG2 VAL 25 -1.736 -2.109 -1.829 208 HG23 VAL 25 2HG2 VAL 25 -2.088 -0.389 -1.722 209 H TRP 26 H TRP 26 2.186 -2.228 -3.574 210 HA TRP 26 HA TRP 26 0.310 -4.202 -4.498 211 HB2 TRP 26 2HB TRP 26 1.533 -4.565 -6.628 212 HB3 TRP 26 1HB TRP 26 0.816 -2.969 -6.559 213 HD1 TRP 26 HD TRP 26 4.046 -4.753 -7.102 214 HE1 TRP 26 1HE TRP 26 5.932 -3.081 -7.529 215 HE3 TRP 26 3HE TRP 26 1.633 -0.471 -5.735 216 HZ2 TRP 26 2HZ TRP 26 6.341 -0.268 -7.316 217 HZ3 TRP 26 3HZ TRP 26 2.871 1.671 -5.876 218 HH2 TRP 26 HH TRP 26 5.121 1.767 -6.637 219 H ALA 27 H ALA 27 1.290 -6.326 -4.673 220 HA ALA 27 HA ALA 27 3.767 -6.509 -3.103 221 HB1 ALA 27 1HB ALA 27 2.852 -8.345 -1.801 222 HB2 ALA 27 2HB ALA 27 1.313 -8.202 -2.654 223 HB3 ALA 27 3HB ALA 27 1.871 -6.891 -1.615 224 H LEU 28 H LEU 28 5.215 -7.651 -4.020 225 HA LEU 28 HA LEU 28 4.537 -9.426 -6.214 226 HB2 LEU 28 2HB LEU 28 7.228 -8.582 -5.110 227 HB3 LEU 28 1HB LEU 28 7.027 -9.687 -6.443 228 HG LEU 28 HG LEU 28 5.963 -7.809 -7.740 229 HD11 LEU 28 1HD1 LEU 28 6.330 -5.522 -7.005 230 HD12 LEU 28 2HD1 LEU 28 6.969 -6.112 -5.468 231 HD13 LEU 28 3HD1 LEU 28 5.281 -6.391 -5.885 232 HD21 LEU 28 3HD2 LEU 28 8.777 -7.368 -6.767 233 HD22 LEU 28 1HD2 LEU 28 8.078 -6.697 -8.239 234 HD23 LEU 28 2HD2 LEU 28 8.279 -8.442 -8.076 235 H ALA 29 H ALA 29 3.645 -11.183 -5.332 236 HA ALA 29 HA ALA 29 5.345 -12.713 -3.506 237 HB1 ALA 29 1HB ALA 29 3.442 -11.790 -2.276 238 HB2 ALA 29 2HB ALA 29 3.317 -13.546 -2.402 239 HB3 ALA 29 3HB ALA 29 2.332 -12.514 -3.440 240 HA PRO 30 HA PRO 30 4.596 -15.483 -6.987 241 HB2 PRO 30 2HB PRO 30 6.833 -17.046 -6.018 242 HB3 PRO 30 1HB PRO 30 6.712 -16.115 -7.507 243 HG2 PRO 30 2HG PRO 30 8.350 -15.424 -5.403 244 HG3 PRO 30 1HG PRO 30 7.730 -14.278 -6.601 245 HD2 PRO 30 2HD PRO 30 6.796 -14.805 -3.817 246 HD3 PRO 30 1HD PRO 30 6.876 -13.275 -4.724 247 H LYS 31 H LYS 31 6.060 -17.167 -4.180 248 HA LYS 31 HA LYS 31 3.516 -18.051 -3.267 249 HB2 LYS 31 2HB LYS 31 3.978 -19.617 -5.188 250 HB3 LYS 31 1HB LYS 31 5.397 -20.177 -4.315 251 HG2 LYS 31 2HG LYS 31 4.035 -21.012 -2.527 252 HG3 LYS 31 1HG LYS 31 2.590 -20.320 -3.256 253 HD2 LYS 31 2HD LYS 31 2.898 -21.784 -5.205 254 HD3 LYS 31 1HD LYS 31 4.309 -22.500 -4.424 255 HE2 LYS 31 2HE LYS 31 2.938 -23.302 -2.600 256 HE3 LYS 31 1HE LYS 31 1.519 -22.507 -3.273 257 HZ1 LYS 31 3HZ LYS 31 1.706 -23.959 -5.223 258 HZ2 LYS 31 1HZ LYS 31 1.528 -24.855 -3.807 259 HZ3 LYS 31 2HZ LYS 31 3.031 -24.719 -4.539 260 H GLY 32 H GLY 32 6.913 -19.159 -3.122 261 HA2 GLY 32 2HA GLY 32 6.731 -19.225 -0.204 262 HA3 GLY 32 1HA GLY 32 7.992 -19.958 -1.191 263 H ARG 33 H ARG 33 6.731 -16.969 0.066 264 HA ARG 33 HA ARG 33 9.265 -15.749 0.450 265 HB2 ARG 33 2HB ARG 33 8.862 -15.440 -2.072 266 HB3 ARG 33 1HB ARG 33 7.412 -14.549 -1.651 267 HG2 ARG 33 2HG ARG 33 8.870 -12.826 -1.997 268 HG3 ARG 33 1HG ARG 33 9.096 -13.094 -0.271 269 HD2 ARG 33 2HD ARG 33 10.863 -14.107 -2.501 270 HD3 ARG 33 1HD ARG 33 11.244 -12.813 -1.377 271 HE ARG 33 HE ARG 33 10.874 -14.878 0.283 272 HH11 ARG 33 1HH1 ARG 33 12.843 -14.476 -2.599 273 HH12 ARG 33 2HH1 ARG 33 13.939 -15.719 -2.200 274 HH21 ARG 33 1HH2 ARG 33 12.370 -16.593 0.821 275 HH22 ARG 33 2HH2 ARG 33 13.637 -16.970 -0.260 276 H LYS 34 H LYS 34 8.816 -13.839 1.839 277 HA LYS 34 HA LYS 34 6.376 -13.718 3.201 278 HB2 LYS 34 2HB LYS 34 8.528 -11.655 2.758 279 HB3 LYS 34 1HB LYS 34 7.063 -11.243 3.613 280 HG2 LYS 34 2HG LYS 34 8.997 -13.398 4.434 281 HG3 LYS 34 1HG LYS 34 8.949 -11.762 5.100 282 HD2 LYS 34 2HD LYS 34 6.537 -12.219 5.708 283 HD3 LYS 34 1HD LYS 34 6.842 -13.906 5.298 284 HE2 LYS 34 2HE LYS 34 7.081 -13.607 7.680 285 HE3 LYS 34 1HE LYS 34 8.661 -13.940 6.976 286 HZ1 LYS 34 3HZ LYS 34 7.647 -11.225 7.618 287 HZ2 LYS 34 1HZ LYS 34 9.218 -11.616 7.168 288 HZ3 LYS 34 2HZ LYS 34 8.596 -12.122 8.663 289 H GLY 35 H GLY 35 7.548 -11.892 0.467 290 HA2 GLY 35 2HA GLY 35 5.951 -11.443 -1.337 291 HA3 GLY 35 1HA GLY 35 4.798 -11.007 -0.064 292 H VAL 36 H VAL 36 6.974 -9.801 -2.203 293 HA VAL 36 HA VAL 36 8.068 -7.769 -0.492 294 HB VAL 36 HB VAL 36 8.143 -7.831 -3.514 295 HG11 VAL 36 1HG1 VAL 36 8.793 -5.713 -2.537 296 HG12 VAL 36 2HG1 VAL 36 10.188 -6.517 -3.259 297 HG13 VAL 36 3HG1 VAL 36 9.970 -6.530 -1.510 298 HG21 VAL 36 3HG2 VAL 36 10.311 -8.962 -3.335 299 HG22 VAL 36 1HG2 VAL 36 9.000 -9.956 -2.696 300 HG23 VAL 36 2HG2 VAL 36 10.080 -9.106 -1.591 301 H LYS 37 H LYS 37 6.500 -6.561 0.260 302 HA LYS 37 HA LYS 37 4.422 -5.493 -1.411 303 HB2 LYS 37 2HB LYS 37 5.211 -4.894 1.449 304 HB3 LYS 37 1HB LYS 37 3.776 -4.275 0.643 305 HG2 LYS 37 2HG LYS 37 2.927 -6.558 0.406 306 HG3 LYS 37 1HG LYS 37 4.366 -7.168 1.224 307 HD2 LYS 37 2HD LYS 37 3.783 -5.990 3.242 308 HD3 LYS 37 1HD LYS 37 2.427 -5.201 2.437 309 HE2 LYS 37 2HE LYS 37 1.630 -7.029 3.813 310 HE3 LYS 37 1HE LYS 37 1.369 -7.396 2.111 311 HZ1 LYS 37 3HZ LYS 37 3.414 -8.799 2.210 312 HZ2 LYS 37 1HZ LYS 37 2.190 -9.311 3.217 313 HZ3 LYS 37 2HZ LYS 37 3.468 -8.532 3.888 314 H ILE 38 H ILE 38 4.606 -3.652 -2.503 315 HA ILE 38 HA ILE 38 6.720 -1.800 -1.721 316 HB ILE 38 HB ILE 38 6.037 -2.579 -4.591 317 HG12 ILE 38 2HG1 ILE 38 8.538 -3.126 -2.970 318 HG13 ILE 38 1HG1 ILE 38 7.334 -4.324 -3.426 319 HG21 ILE 38 1HG2 ILE 38 7.930 -1.139 -5.216 320 HG22 ILE 38 2HG2 ILE 38 8.139 -0.686 -3.524 321 HG23 ILE 38 3HG2 ILE 38 6.670 -0.226 -4.384 322 HD11 ILE 38 3HD1 ILE 38 9.316 -4.464 -4.826 323 HD12 ILE 38 1HD1 ILE 38 9.108 -2.780 -5.312 324 HD13 ILE 38 2HD1 ILE 38 7.909 -3.989 -5.779 325 H GLY 39 H GLY 39 6.117 0.265 -1.750 326 HA2 GLY 39 2HA GLY 39 3.451 0.865 -2.820 327 HA3 GLY 39 1HA GLY 39 3.983 1.504 -1.271 328 H LEU 40 H LEU 40 3.195 2.844 -3.712 329 HA LEU 40 HA LEU 40 5.693 4.149 -4.480 330 HB2 LEU 40 2HB LEU 40 4.219 3.462 -6.273 331 HB3 LEU 40 1HB LEU 40 2.893 4.368 -5.631 332 HG LEU 40 HG LEU 40 4.332 6.445 -6.009 333 HD11 LEU 40 1HD1 LEU 40 5.928 4.464 -7.618 334 HD12 LEU 40 2HD1 LEU 40 6.487 5.357 -6.206 335 HD13 LEU 40 3HD1 LEU 40 6.104 6.212 -7.698 336 HD21 LEU 40 3HD2 LEU 40 3.530 4.794 -8.374 337 HD22 LEU 40 1HD2 LEU 40 3.814 6.536 -8.374 338 HD23 LEU 40 2HD2 LEU 40 2.470 5.862 -7.435 339 H PHE 41 H PHE 41 6.228 5.972 -3.576 340 HA PHE 41 HA PHE 41 4.278 7.427 -1.891 341 HB2 PHE 41 2HB PHE 41 7.229 7.022 -1.564 342 HB3 PHE 41 1HB PHE 41 6.237 8.031 -0.533 343 HD1 PHE 41 2HD PHE 41 4.513 6.913 0.887 344 HD2 PHE 41 1HD PHE 41 7.420 4.720 -1.293 345 HE1 PHE 41 2HE PHE 41 4.102 4.968 2.300 346 HE2 PHE 41 1HE PHE 41 7.013 2.768 0.122 347 HZ PHE 41 HZ PHE 41 5.352 2.890 1.920 348 H LYS 42 H LYS 42 5.005 9.707 -1.531 349 HA LYS 42 HA LYS 42 6.384 10.778 -3.871 350 HB2 LYS 42 2HB LYS 42 4.076 11.580 -3.729 351 HB3 LYS 42 1HB LYS 42 4.338 12.073 -2.059 352 HG2 LYS 42 2HG LYS 42 5.929 13.772 -2.795 353 HG3 LYS 42 1HG LYS 42 5.733 13.247 -4.466 354 HD2 LYS 42 2HD LYS 42 3.400 13.911 -4.434 355 HD3 LYS 42 1HD LYS 42 3.524 14.341 -2.728 356 HE2 LYS 42 2HE LYS 42 5.150 15.627 -4.919 357 HE3 LYS 42 1HE LYS 42 3.629 16.285 -4.315 358 HZ1 LYS 42 3HZ LYS 42 5.603 17.318 -3.288 359 HZ2 LYS 42 1HZ LYS 42 6.053 15.833 -2.634 360 HZ3 LYS 42 2HZ LYS 42 4.625 16.566 -2.163 361 H ASP 43 H ASP 43 8.263 11.605 -3.503 362 HA ASP 43 HA ASP 43 9.353 11.763 -0.848 363 HB2 ASP 43 2HB ASP 43 10.754 10.995 -2.719 364 HB3 ASP 43 1HB ASP 43 10.502 12.518 -3.552 365 HA PRO 44 HA PRO 44 7.954 15.990 -0.482 366 HB2 PRO 44 2HB PRO 44 8.780 16.439 2.011 367 HB3 PRO 44 1HB PRO 44 7.405 15.386 1.663 368 HG2 PRO 44 2HG PRO 44 10.233 14.655 2.317 369 HG3 PRO 44 1HG PRO 44 8.731 13.903 2.878 370 HD2 PRO 44 2HD PRO 44 10.285 12.910 0.857 371 HD3 PRO 44 1HD PRO 44 8.540 12.619 0.993 372 H GLU 45 H GLU 45 11.152 15.041 -0.774 373 HA GLU 45 HA GLU 45 12.134 17.734 -0.247 374 HB2 GLU 45 2HB GLU 45 13.681 15.229 -0.930 375 HB3 GLU 45 1HB GLU 45 14.380 16.784 -0.507 376 HG2 GLU 45 2HG GLU 45 12.738 15.018 1.298 377 HG3 GLU 45 1HG GLU 45 14.480 15.246 1.368 378 H THR 46 H THR 46 12.232 15.275 -2.734 379 HA THR 46 HA THR 46 13.059 17.257 -4.710 380 HB THR 46 HB THR 46 13.318 15.179 -6.197 381 HG1 THR 46 1HG THR 46 12.711 14.002 -3.672 382 HG21 THR 46 3HG2 THR 46 15.218 16.350 -5.173 383 HG22 THR 46 1HG2 THR 46 15.478 14.607 -5.160 384 HG23 THR 46 2HG2 THR 46 14.982 15.433 -3.685 385 H GLY 47 H GLY 47 10.195 15.603 -3.755 386 HA2 GLY 47 2HA GLY 47 8.073 16.025 -4.448 387 HA3 GLY 47 1HA GLY 47 8.732 17.056 -5.711 388 H LYS 48 H LYS 48 9.941 13.869 -5.545 389 HA LYS 48 HA LYS 48 8.347 13.224 -7.921 390 HB2 LYS 48 2HB LYS 48 10.094 11.616 -8.494 391 HB3 LYS 48 1HB LYS 48 10.726 13.250 -8.378 392 HG2 LYS 48 2HG LYS 48 11.711 12.759 -6.217 393 HG3 LYS 48 1HG LYS 48 10.982 11.153 -6.220 394 HD2 LYS 48 2HD LYS 48 12.965 12.126 -8.281 395 HD3 LYS 48 1HD LYS 48 13.402 11.176 -6.860 396 HE2 LYS 48 2HE LYS 48 12.006 9.335 -7.636 397 HE3 LYS 48 1HE LYS 48 11.469 10.288 -9.012 398 HZ1 LYS 48 3HZ LYS 48 13.683 10.280 -9.888 399 HZ2 LYS 48 1HZ LYS 48 13.208 8.706 -9.576 400 HZ3 LYS 48 2HZ LYS 48 14.295 9.460 -8.542 401 H TYR 49 H TYR 49 7.816 10.916 -8.194 402 HA TYR 49 HA TYR 49 6.995 9.802 -5.648 403 HB2 TYR 49 2HB TYR 49 6.102 9.317 -8.482 404 HB3 TYR 49 1HB TYR 49 5.722 8.174 -7.199 405 HD1 TYR 49 1HD TYR 49 5.167 11.634 -8.380 406 HD2 TYR 49 2HD TYR 49 4.049 8.623 -5.599 407 HE1 TYR 49 1HE TYR 49 3.202 12.966 -7.722 408 HE2 TYR 49 2HE TYR 49 2.088 9.937 -4.942 409 HH TYR 49 HH TYR 49 0.964 12.495 -6.728 410 H PHE 50 H PHE 50 7.785 7.991 -4.832 411 HA PHE 50 HA PHE 50 9.654 6.515 -6.526 412 HB2 PHE 50 2HB PHE 50 11.286 6.336 -4.769 413 HB3 PHE 50 1HB PHE 50 10.928 8.036 -5.019 414 HD1 PHE 50 2HD PHE 50 9.457 9.217 -3.322 415 HD2 PHE 50 1HD PHE 50 11.004 5.301 -2.677 416 HE1 PHE 50 2HE PHE 50 9.043 9.447 -0.906 417 HE2 PHE 50 1HE PHE 50 10.594 5.529 -0.267 418 HZ PHE 50 HZ PHE 50 9.621 7.596 0.624 419 H ARG 51 H ARG 51 9.557 4.319 -6.269 420 HA ARG 51 HA ARG 51 7.596 3.373 -4.379 421 HB2 ARG 51 2HB ARG 51 7.755 1.268 -5.607 422 HB3 ARG 51 1HB ARG 51 7.289 2.603 -6.646 423 HG2 ARG 51 2HG ARG 51 9.521 2.669 -7.578 424 HG3 ARG 51 1HG ARG 51 10.048 1.411 -6.455 425 HD2 ARG 51 2HD ARG 51 8.403 -0.117 -7.440 426 HD3 ARG 51 1HD ARG 51 7.935 1.142 -8.586 427 HE ARG 51 HE ARG 51 10.164 0.999 -9.507 428 HH11 ARG 51 1HH1 ARG 51 9.114 -1.738 -7.503 429 HH12 ARG 51 2HH1 ARG 51 10.182 -2.837 -8.232 430 HH21 ARG 51 1HH2 ARG 51 11.591 -0.518 -10.480 431 HH22 ARG 51 2HH2 ARG 51 11.640 -2.139 -9.979 432 H HIS 52 H HIS 52 8.091 2.153 -2.668 433 HA HIS 52 HA HIS 52 10.857 1.210 -2.321 434 HB2 HIS 52 2HB HIS 52 10.555 3.477 -1.231 435 HB3 HIS 52 1HB HIS 52 9.317 2.760 -0.215 436 HD1 HIS 52 1HD HIS 52 10.225 0.922 1.598 437 HD2 HIS 52 2HD HIS 52 13.137 3.140 -0.382 438 HE1 HIS 52 1HE HIS 52 12.244 0.749 3.001 439 HE2 HIS 52 2HE HIS 52 14.059 1.749 1.603 440 H LYS 53 H LYS 53 10.982 -0.599 -0.924 441 HA LYS 53 HA LYS 53 8.727 -2.281 -0.790 442 HB2 LYS 53 2HB LYS 53 11.067 -3.103 -0.859 443 HB3 LYS 53 1HB LYS 53 11.349 -2.411 0.729 444 HG2 LYS 53 2HG LYS 53 9.644 -3.963 1.658 445 HG3 LYS 53 1HG LYS 53 9.490 -4.692 0.060 446 HD2 LYS 53 2HD LYS 53 11.862 -5.304 0.111 447 HD3 LYS 53 1HD LYS 53 12.021 -4.577 1.708 448 HE2 LYS 53 2HE LYS 53 10.328 -6.198 2.552 449 HE3 LYS 53 1HE LYS 53 10.307 -6.946 0.960 450 HZ1 LYS 53 3HZ LYS 53 12.714 -7.418 1.239 451 HZ2 LYS 53 1HZ LYS 53 11.762 -8.169 2.411 452 HZ3 LYS 53 2HZ LYS 53 12.623 -6.781 2.801 453 H LEU 54 H LEU 54 7.403 -2.739 0.871 454 HA LEU 54 HA LEU 54 7.344 -0.880 3.137 455 HB2 LEU 54 2HB LEU 54 5.201 -2.865 2.464 456 HB3 LEU 54 1HB LEU 54 5.091 -1.403 3.351 457 HG LEU 54 HG LEU 54 5.516 -1.404 0.374 458 HD11 LEU 54 1HD1 LEU 54 3.175 -0.735 0.254 459 HD12 LEU 54 2HD1 LEU 54 3.026 -0.958 2.001 460 HD13 LEU 54 3HD1 LEU 54 3.342 -2.340 0.965 461 HD21 LEU 54 3HD2 LEU 54 6.353 0.557 1.523 462 HD22 LEU 54 1HD2 LEU 54 4.796 0.741 2.339 463 HD23 LEU 54 2HD2 LEU 54 4.900 0.922 0.583 464 HA PRO 55 HA PRO 55 8.168 -4.344 5.918 465 HB2 PRO 55 2HB PRO 55 5.668 -3.732 7.403 466 HB3 PRO 55 1HB PRO 55 7.322 -3.718 8.005 467 HG2 PRO 55 2HG PRO 55 6.049 -1.423 7.646 468 HG3 PRO 55 1HG PRO 55 7.748 -1.572 7.151 469 HD2 PRO 55 2HD PRO 55 5.278 -1.838 5.472 470 HD3 PRO 55 1HD PRO 55 6.666 -0.837 5.096 471 H ASP 56 H ASP 56 7.570 -6.552 5.899 472 HA ASP 56 HA ASP 56 5.485 -7.312 4.166 473 HB2 ASP 56 2HB ASP 56 6.084 -9.587 4.756 474 HB3 ASP 56 1HB ASP 56 7.531 -8.646 4.436 475 H ASP 57 H ASP 57 5.714 -6.678 7.480 476 HA ASP 57 HA ASP 57 3.288 -8.064 8.237 477 HB2 ASP 57 2HB ASP 57 5.149 -7.994 9.802 478 HB3 ASP 57 1HB ASP 57 5.148 -6.238 9.782 479 H TYR 58 H TYR 58 3.846 -5.292 6.573 480 HA TYR 58 HA TYR 58 1.945 -3.600 7.875 481 HB2 TYR 58 2HB TYR 58 3.862 -2.636 6.761 482 HB3 TYR 58 1HB TYR 58 3.423 -3.420 5.254 483 HD1 TYR 58 2HD TYR 58 2.273 -0.848 7.691 484 HD2 TYR 58 1HD TYR 58 2.127 -2.286 3.708 485 HE1 TYR 58 2HE TYR 58 1.076 1.202 7.001 486 HE2 TYR 58 1HE TYR 58 0.945 -0.252 2.999 487 HH TYR 58 HH TYR 58 0.612 2.521 4.961 488 HA PRO 59 HA PRO 59 -1.328 -5.650 5.567 489 HB2 PRO 59 2HB PRO 59 -3.273 -3.916 6.696 490 HB3 PRO 59 1HB PRO 59 -2.916 -5.568 7.187 491 HG2 PRO 59 2HG PRO 59 -2.439 -3.311 8.742 492 HG3 PRO 59 1HG PRO 59 -1.679 -4.893 8.974 493 HD2 PRO 59 2HD PRO 59 -0.597 -2.441 7.668 494 HD3 PRO 59 1HD PRO 59 0.227 -3.697 8.626 495 H ILE 60 H ILE 60 -1.338 -5.102 3.518 496 HA ILE 60 HA ILE 60 -1.708 -2.335 2.795 497 HB ILE 60 HB ILE 60 -1.152 -3.092 0.452 498 HG12 ILE 60 2HG1 ILE 60 -0.325 -5.640 1.836 499 HG13 ILE 60 1HG1 ILE 60 -1.727 -5.511 0.767 500 HG21 ILE 60 1HG2 ILE 60 0.489 -2.054 1.860 501 HG22 ILE 60 2HG2 ILE 60 1.254 -3.369 0.956 502 HG23 ILE 60 3HG2 ILE 60 0.815 -3.590 2.652 503 HD11 ILE 60 3HD1 ILE 60 1.145 -5.035 0.012 504 HD12 ILE 60 1HD1 ILE 60 -0.232 -4.926 -1.080 505 HD13 ILE 60 2HD1 ILE 60 0.204 -6.485 -0.369 Start of MODEL 5 1 H1 MET 1 1HT MET 1 -14.532 -1.465 8.167 2 H2 MET 1 2HT MET 1 -14.230 -1.662 9.809 3 H3 MET 1 3HT MET 1 -12.943 -1.601 8.706 4 HA MET 1 HA MET 1 -14.840 0.600 9.270 5 HB2 MET 1 2HB MET 1 -12.986 1.767 10.331 6 HB3 MET 1 1HB MET 1 -13.157 0.198 11.095 7 HG2 MET 1 2HG MET 1 -11.109 0.864 8.989 8 HG3 MET 1 1HG MET 1 -10.803 0.872 10.721 9 HE1 MET 1 2HE MET 1 -9.063 -0.775 8.579 10 HE2 MET 1 3HE MET 1 -8.841 -2.292 9.449 11 HE3 MET 1 1HE MET 1 -8.730 -0.759 10.310 12 H SER 2 H SER 2 -14.240 2.584 8.122 13 HA SER 2 HA SER 2 -13.161 1.932 5.550 14 HB2 SER 2 2HB SER 2 -13.972 4.354 5.088 15 HB3 SER 2 1HB SER 2 -15.172 3.083 5.311 16 HG SER 2 HG SER 2 -15.529 5.071 6.470 17 H SER 3 H SER 3 -11.025 1.680 6.134 18 HA SER 3 HA SER 3 -9.592 4.160 6.750 19 HB2 SER 3 2HB SER 3 -9.273 2.301 8.404 20 HB3 SER 3 1HB SER 3 -8.693 1.267 7.103 21 HG SER 3 HG SER 3 -6.885 2.037 7.943 22 H GLY 4 H GLY 4 -8.941 1.065 5.101 23 HA2 GLY 4 2HA GLY 4 -8.352 0.582 2.959 24 HA3 GLY 4 1HA GLY 4 -8.696 2.243 2.521 25 H LYS 5 H LYS 5 -7.060 3.808 3.412 26 HA LYS 5 HA LYS 5 -4.419 2.770 2.664 27 HB2 LYS 5 2HB LYS 5 -5.606 4.573 1.281 28 HB3 LYS 5 1HB LYS 5 -5.357 5.631 2.661 29 HG2 LYS 5 2HG LYS 5 -3.591 6.097 1.211 30 HG3 LYS 5 1HG LYS 5 -2.909 5.074 2.476 31 HD2 LYS 5 2HD LYS 5 -2.046 4.247 0.443 32 HD3 LYS 5 1HD LYS 5 -3.306 3.112 0.918 33 HE2 LYS 5 2HE LYS 5 -3.455 3.627 -1.467 34 HE3 LYS 5 1HE LYS 5 -4.877 4.220 -0.617 35 HZ1 LYS 5 3HZ LYS 5 -2.532 5.890 -1.302 36 HZ2 LYS 5 1HZ LYS 5 -3.970 6.446 -0.656 37 HZ3 LYS 5 2HZ LYS 5 -3.949 5.841 -2.224 38 H LYS 6 H LYS 6 -2.611 3.390 4.030 39 HA LYS 6 HA LYS 6 -3.167 5.006 6.308 40 HB2 LYS 6 2HB LYS 6 -2.536 3.429 8.016 41 HB3 LYS 6 1HB LYS 6 -3.803 2.676 7.076 42 HG2 LYS 6 2HG LYS 6 -1.094 1.982 6.188 43 HG3 LYS 6 1HG LYS 6 -1.434 1.515 7.847 44 HD2 LYS 6 2HD LYS 6 -1.952 -0.358 6.460 45 HD3 LYS 6 1HD LYS 6 -3.485 0.324 6.979 46 HE2 LYS 6 2HE LYS 6 -3.754 1.399 4.815 47 HE3 LYS 6 1HE LYS 6 -2.169 0.822 4.310 48 HZ1 LYS 6 3HZ LYS 6 -3.938 -0.565 3.420 49 HZ2 LYS 6 1HZ LYS 6 -4.505 -0.912 4.957 50 HZ3 LYS 6 2HZ LYS 6 -3.005 -1.469 4.480 51 HA PRO 7 HA PRO 7 0.979 6.014 5.317 52 HB2 PRO 7 2HB PRO 7 1.759 7.264 7.620 53 HB3 PRO 7 1HB PRO 7 0.758 8.016 6.378 54 HG2 PRO 7 2HG PRO 7 -0.008 6.973 9.034 55 HG3 PRO 7 1HG PRO 7 -0.764 8.218 8.025 56 HD2 PRO 7 2HD PRO 7 -1.655 5.577 8.360 57 HD3 PRO 7 1HD PRO 7 -2.211 6.737 7.144 58 H VAL 8 H VAL 8 3.186 5.604 5.827 59 HA VAL 8 HA VAL 8 3.670 3.749 7.984 60 HB VAL 8 HB VAL 8 3.183 2.377 5.905 61 HG11 VAL 8 1HG1 VAL 8 5.632 3.651 4.800 62 HG12 VAL 8 2HG1 VAL 8 3.976 3.818 4.216 63 HG13 VAL 8 3HG1 VAL 8 4.792 2.256 4.122 64 HG21 VAL 8 3HG2 VAL 8 5.999 2.158 6.964 65 HG22 VAL 8 1HG2 VAL 8 5.129 0.895 6.094 66 HG23 VAL 8 2HG2 VAL 8 4.560 1.425 7.676 67 H LYS 9 H LYS 9 5.752 3.846 8.721 68 HA LYS 9 HA LYS 9 7.326 6.151 8.212 69 HB2 LYS 9 2HB LYS 9 7.235 4.803 10.338 70 HB3 LYS 9 1HB LYS 9 8.103 3.530 9.506 71 HG2 LYS 9 2HG LYS 9 9.974 5.128 9.148 72 HG3 LYS 9 1HG LYS 9 9.104 6.286 10.163 73 HD2 LYS 9 2HD LYS 9 9.043 4.542 11.951 74 HD3 LYS 9 1HD LYS 9 10.094 3.551 10.946 75 HE2 LYS 9 2HE LYS 9 11.442 4.704 12.559 76 HE3 LYS 9 1HE LYS 9 11.760 5.380 10.962 77 HZ1 LYS 9 3HZ LYS 9 10.298 7.239 11.516 78 HZ2 LYS 9 1HZ LYS 9 11.542 7.106 12.624 79 HZ3 LYS 9 2HZ LYS 9 9.998 6.601 13.031 80 H VAL 10 H VAL 10 8.348 6.356 6.231 81 HA VAL 10 HA VAL 10 9.596 3.951 5.251 82 HB VAL 10 HB VAL 10 7.598 4.311 3.987 83 HG11 VAL 10 1HG1 VAL 10 7.279 6.674 4.236 84 HG12 VAL 10 2HG1 VAL 10 7.285 6.258 2.520 85 HG13 VAL 10 3HG1 VAL 10 8.705 7.011 3.253 86 HG21 VAL 10 3HG2 VAL 10 8.480 4.349 1.723 87 HG22 VAL 10 1HG2 VAL 10 9.423 3.336 2.809 88 HG23 VAL 10 2HG2 VAL 10 10.033 4.932 2.338 89 H LYS 11 H LYS 11 11.506 4.093 4.354 90 HA LYS 11 HA LYS 11 13.129 6.377 5.037 91 HB2 LYS 11 2HB LYS 11 13.853 3.795 3.623 92 HB3 LYS 11 1HB LYS 11 14.980 4.941 4.332 93 HG2 LYS 11 2HG LYS 11 14.210 4.420 6.553 94 HG3 LYS 11 1HG LYS 11 12.912 3.410 5.908 95 HD2 LYS 11 2HD LYS 11 14.610 1.919 4.962 96 HD3 LYS 11 1HD LYS 11 15.872 2.934 5.664 97 HE2 LYS 11 2HE LYS 11 13.724 1.500 7.226 98 HE3 LYS 11 1HE LYS 11 15.369 0.909 7.015 99 HZ1 LYS 11 3HZ LYS 11 15.201 1.956 9.094 100 HZ2 LYS 11 1HZ LYS 11 14.531 3.374 8.496 101 HZ3 LYS 11 2HZ LYS 11 16.128 2.956 8.145 102 H THR 12 H THR 12 13.334 8.019 3.662 103 HA THR 12 HA THR 12 12.374 7.721 0.946 104 HB THR 12 HB THR 12 12.541 10.170 0.827 105 HG1 THR 12 1HG THR 12 13.362 9.990 3.554 106 HG21 THR 12 3HG2 THR 12 11.202 9.154 3.343 107 HG22 THR 12 1HG2 THR 12 10.496 9.173 1.729 108 HG23 THR 12 2HG2 THR 12 10.842 10.691 2.557 109 HA PRO 13 HA PRO 13 16.426 7.827 -0.981 110 HB2 PRO 13 2HB PRO 13 15.468 9.590 -3.121 111 HB3 PRO 13 1HB PRO 13 15.917 7.884 -3.204 112 HG2 PRO 13 2HG PRO 13 13.361 8.714 -3.474 113 HG3 PRO 13 1HG PRO 13 13.799 7.149 -2.768 114 HD2 PRO 13 2HD PRO 13 13.030 9.697 -1.399 115 HD3 PRO 13 1HD PRO 13 12.522 8.035 -1.038 116 H ALA 14 H ALA 14 14.750 10.629 -0.070 117 HA ALA 14 HA ALA 14 16.794 12.546 -0.467 118 HB1 ALA 14 1HB ALA 14 14.531 12.507 1.530 119 HB2 ALA 14 2HB ALA 14 14.448 13.161 -0.108 120 HB3 ALA 14 3HB ALA 14 15.499 13.916 1.090 121 H GLY 15 H GLY 15 16.171 10.100 1.921 122 HA2 GLY 15 2HA GLY 15 18.122 9.234 3.046 123 HA3 GLY 15 1HA GLY 15 18.705 10.885 3.152 124 H LYS 16 H LYS 16 15.442 10.763 3.886 125 HA LYS 16 HA LYS 16 16.091 10.383 6.719 126 HB2 LYS 16 2HB LYS 16 14.405 12.057 7.370 127 HB3 LYS 16 1HB LYS 16 15.673 12.774 6.395 128 HG2 LYS 16 2HG LYS 16 13.099 11.906 5.127 129 HG3 LYS 16 1HG LYS 16 13.197 13.434 5.986 130 HD2 LYS 16 2HD LYS 16 15.242 12.784 3.898 131 HD3 LYS 16 1HD LYS 16 13.637 13.312 3.402 132 HE2 LYS 16 2HE LYS 16 15.273 15.162 3.522 133 HE3 LYS 16 1HE LYS 16 13.897 15.400 4.579 134 HZ1 LYS 16 3HZ LYS 16 16.591 14.465 5.417 135 HZ2 LYS 16 1HZ LYS 16 15.287 14.743 6.456 136 HZ3 LYS 16 2HZ LYS 16 15.988 16.024 5.615 137 H GLU 17 H GLU 17 14.275 9.687 8.023 138 HA GLU 17 HA GLU 17 12.542 7.953 6.473 139 HB2 GLU 17 2HB GLU 17 13.043 8.116 9.448 140 HB3 GLU 17 1HB GLU 17 11.981 6.952 8.663 141 HG2 GLU 17 2HG GLU 17 13.860 6.059 7.433 142 HG3 GLU 17 1HG GLU 17 14.935 7.209 8.206 143 H ALA 18 H ALA 18 10.584 8.561 6.054 144 HA ALA 18 HA ALA 18 9.383 10.597 7.766 145 HB1 ALA 18 1HB ALA 18 9.293 10.510 4.747 146 HB2 ALA 18 2HB ALA 18 10.188 11.676 5.723 147 HB3 ALA 18 3HB ALA 18 8.426 11.655 5.771 148 H GLU 19 H GLU 19 7.301 10.220 8.240 149 HA GLU 19 HA GLU 19 6.232 7.704 7.358 150 HB2 GLU 19 2HB GLU 19 5.046 9.807 9.187 151 HB3 GLU 19 1HB GLU 19 4.370 8.209 8.891 152 HG2 GLU 19 2HG GLU 19 6.385 7.187 9.850 153 HG3 GLU 19 1HG GLU 19 7.025 8.793 10.189 154 H LEU 20 H LEU 20 5.471 7.648 5.459 155 HA LEU 20 HA LEU 20 3.930 9.911 4.401 156 HB2 LEU 20 2HB LEU 20 5.734 7.979 2.934 157 HB3 LEU 20 1HB LEU 20 4.740 9.192 2.165 158 HG LEU 20 HG LEU 20 7.041 9.817 4.035 159 HD11 LEU 20 1HD1 LEU 20 8.266 10.435 2.020 160 HD12 LEU 20 2HD1 LEU 20 6.916 9.901 1.021 161 HD13 LEU 20 3HD1 LEU 20 7.823 8.729 1.979 162 HD21 LEU 20 3HD2 LEU 20 5.339 11.580 3.917 163 HD22 LEU 20 1HD2 LEU 20 5.452 11.537 2.150 164 HD23 LEU 20 2HD2 LEU 20 6.841 12.054 3.104 165 H VAL 21 H VAL 21 2.140 9.295 3.151 166 HA VAL 21 HA VAL 21 1.364 6.533 3.546 167 HB VAL 21 HB VAL 21 -0.177 8.275 4.420 168 HG11 VAL 21 1HG1 VAL 21 0.144 10.056 2.886 169 HG12 VAL 21 2HG1 VAL 21 -1.562 9.592 2.942 170 HG13 VAL 21 3HG1 VAL 21 -0.557 9.090 1.578 171 HG21 VAL 21 3HG2 VAL 21 -1.114 6.150 3.857 172 HG22 VAL 21 1HG2 VAL 21 -1.318 6.648 2.178 173 HG23 VAL 21 2HG2 VAL 21 -2.261 7.428 3.448 174 HA PRO 22 HA PRO 22 2.428 5.841 -0.648 175 HB2 PRO 22 2HB PRO 22 1.249 3.401 -0.959 176 HB3 PRO 22 1HB PRO 22 2.779 3.638 -0.111 177 HG2 PRO 22 2HG PRO 22 0.030 3.292 1.011 178 HG3 PRO 22 1HG PRO 22 1.565 2.626 1.588 179 HD2 PRO 22 2HD PRO 22 0.363 4.776 2.717 180 HD3 PRO 22 1HD PRO 22 2.125 4.562 2.699 181 H GLU 23 H GLU 23 1.539 6.161 -2.601 182 HA GLU 23 HA GLU 23 -1.157 7.076 -2.769 183 HB2 GLU 23 2HB GLU 23 0.716 8.036 -4.069 184 HB3 GLU 23 1HB GLU 23 0.895 6.514 -4.924 185 HG2 GLU 23 2HG GLU 23 -0.259 8.190 -6.233 186 HG3 GLU 23 1HG GLU 23 -1.286 6.787 -5.927 187 H LYS 24 H LYS 24 0.627 4.223 -3.650 188 HA LYS 24 HA LYS 24 -1.764 2.650 -3.887 189 HB2 LYS 24 2HB LYS 24 -1.021 1.727 -6.118 190 HB3 LYS 24 1HB LYS 24 -1.590 3.391 -6.177 191 HG2 LYS 24 2HG LYS 24 0.685 4.204 -6.265 192 HG3 LYS 24 1HG LYS 24 1.302 2.570 -6.072 193 HD2 LYS 24 2HD LYS 24 1.457 3.253 -8.389 194 HD3 LYS 24 1HD LYS 24 0.279 1.953 -8.225 195 HE2 LYS 24 2HE LYS 24 -1.534 3.610 -8.297 196 HE3 LYS 24 1HE LYS 24 -0.343 4.901 -8.453 197 HZ1 LYS 24 3HZ LYS 24 0.365 3.945 -10.554 198 HZ2 LYS 24 1HZ LYS 24 -1.293 4.252 -10.599 199 HZ3 LYS 24 2HZ LYS 24 -0.722 2.684 -10.392 200 H VAL 25 H VAL 25 -1.275 0.412 -3.593 201 HA VAL 25 HA VAL 25 1.512 -0.203 -2.944 202 HB VAL 25 HB VAL 25 0.737 -1.619 -1.051 203 HG11 VAL 25 1HG1 VAL 25 -0.051 1.271 -0.800 204 HG12 VAL 25 2HG1 VAL 25 1.566 0.609 -0.579 205 HG13 VAL 25 3HG1 VAL 25 0.275 0.176 0.541 206 HG21 VAL 25 3HG2 VAL 25 -1.521 -1.338 -0.138 207 HG22 VAL 25 1HG2 VAL 25 -1.565 -1.995 -1.776 208 HG23 VAL 25 2HG2 VAL 25 -1.933 -0.292 -1.495 209 H TRP 26 H TRP 26 2.131 -2.347 -3.306 210 HA TRP 26 HA TRP 26 0.234 -4.280 -4.197 211 HB2 TRP 26 2HB TRP 26 1.284 -4.654 -6.407 212 HB3 TRP 26 1HB TRP 26 0.585 -3.049 -6.307 213 HD1 TRP 26 HD TRP 26 3.737 -4.829 -7.162 214 HE1 TRP 26 1HE TRP 26 5.607 -3.153 -7.667 215 HE3 TRP 26 3HE TRP 26 1.525 -0.580 -5.412 216 HZ2 TRP 26 2HZ TRP 26 6.083 -0.382 -7.352 217 HZ3 TRP 26 3HZ TRP 26 2.767 1.535 -5.539 218 HH2 TRP 26 HH TRP 26 4.969 1.643 -6.480 219 H ALA 27 H ALA 27 1.320 -6.377 -4.511 220 HA ALA 27 HA ALA 27 3.923 -6.469 -3.184 221 HB1 ALA 27 1HB ALA 27 2.160 -7.045 -1.564 222 HB2 ALA 27 2HB ALA 27 3.212 -8.413 -1.922 223 HB3 ALA 27 3HB ALA 27 1.604 -8.320 -2.647 224 H LEU 28 H LEU 28 5.319 -7.785 -4.072 225 HA LEU 28 HA LEU 28 4.427 -9.260 -6.404 226 HB2 LEU 28 2HB LEU 28 7.203 -8.647 -5.387 227 HB3 LEU 28 1HB LEU 28 6.907 -9.683 -6.757 228 HG LEU 28 HG LEU 28 5.867 -7.693 -7.917 229 HD11 LEU 28 1HD1 LEU 28 6.407 -5.467 -7.115 230 HD12 LEU 28 2HD1 LEU 28 7.072 -6.156 -5.633 231 HD13 LEU 28 3HD1 LEU 28 5.353 -6.321 -5.988 232 HD21 LEU 28 3HD2 LEU 28 8.112 -8.431 -8.434 233 HD22 LEU 28 1HD2 LEU 28 8.752 -7.483 -7.090 234 HD23 LEU 28 2HD2 LEU 28 8.019 -6.670 -8.474 235 H ALA 29 H ALA 29 3.417 -10.972 -5.584 236 HA ALA 29 HA ALA 29 5.052 -12.920 -4.185 237 HB1 ALA 29 1HB ALA 29 3.717 -11.770 -2.449 238 HB2 ALA 29 2HB ALA 29 3.251 -13.461 -2.631 239 HB3 ALA 29 3HB ALA 29 2.251 -12.189 -3.332 240 HA PRO 30 HA PRO 30 2.688 -14.760 -7.601 241 HB2 PRO 30 2HB PRO 30 4.724 -16.146 -8.725 242 HB3 PRO 30 1HB PRO 30 4.426 -14.443 -9.079 243 HG2 PRO 30 2HG PRO 30 6.493 -15.669 -7.332 244 HG3 PRO 30 1HG PRO 30 6.580 -14.206 -8.324 245 HD2 PRO 30 2HD PRO 30 6.160 -14.267 -5.563 246 HD3 PRO 30 1HD PRO 30 5.823 -12.900 -6.632 247 H LYS 31 H LYS 31 1.627 -15.890 -6.024 248 HA LYS 31 HA LYS 31 0.844 -17.547 -4.841 249 HB2 LYS 31 2HB LYS 31 0.961 -19.854 -5.707 250 HB3 LYS 31 1HB LYS 31 0.568 -18.664 -6.927 251 HG2 LYS 31 2HG LYS 31 2.827 -18.819 -7.821 252 HG3 LYS 31 1HG LYS 31 3.273 -19.945 -6.542 253 HD2 LYS 31 2HD LYS 31 2.817 -21.155 -8.601 254 HD3 LYS 31 1HD LYS 31 1.589 -21.539 -7.399 255 HE2 LYS 31 2HE LYS 31 0.052 -19.949 -8.462 256 HE3 LYS 31 1HE LYS 31 1.289 -19.552 -9.655 257 HZ1 LYS 31 3HZ LYS 31 -0.320 -21.122 -10.494 258 HZ2 LYS 31 1HZ LYS 31 0.043 -22.206 -9.254 259 HZ3 LYS 31 2HZ LYS 31 1.212 -21.832 -10.432 260 H GLY 32 H GLY 32 4.264 -18.369 -5.196 261 HA2 GLY 32 2HA GLY 32 4.111 -19.409 -2.445 262 HA3 GLY 32 1HA GLY 32 5.162 -20.080 -3.685 263 H ARG 33 H ARG 33 4.479 -17.052 -2.007 264 HA ARG 33 HA ARG 33 7.205 -16.772 -1.281 265 HB2 ARG 33 2HB ARG 33 7.189 -15.822 -3.630 266 HB3 ARG 33 1HB ARG 33 5.987 -14.657 -3.094 267 HG2 ARG 33 2HG ARG 33 7.635 -13.831 -1.414 268 HG3 ARG 33 1HG ARG 33 8.832 -14.899 -2.136 269 HD2 ARG 33 2HD ARG 33 7.371 -12.689 -3.576 270 HD3 ARG 33 1HD ARG 33 9.005 -12.571 -2.939 271 HE ARG 33 HE ARG 33 9.064 -14.731 -4.574 272 HH11 ARG 33 1HH1 ARG 33 8.095 -11.343 -5.027 273 HH12 ARG 33 2HH1 ARG 33 8.641 -11.272 -6.649 274 HH21 ARG 33 1HH2 ARG 33 9.779 -14.592 -6.846 275 HH22 ARG 33 2HH2 ARG 33 9.583 -13.117 -7.677 276 H LYS 34 H LYS 34 7.326 -15.260 0.456 277 HA LYS 34 HA LYS 34 4.954 -14.766 1.870 278 HB2 LYS 34 2HB LYS 34 6.367 -13.301 3.344 279 HB3 LYS 34 1HB LYS 34 7.013 -14.915 3.110 280 HG2 LYS 34 2HG LYS 34 8.567 -14.021 1.423 281 HG3 LYS 34 1HG LYS 34 7.943 -12.403 1.737 282 HD2 LYS 34 2HD LYS 34 9.259 -14.184 3.787 283 HD3 LYS 34 1HD LYS 34 10.075 -12.890 2.917 284 HE2 LYS 34 2HE LYS 34 8.432 -11.292 3.884 285 HE3 LYS 34 1HE LYS 34 7.761 -12.617 4.837 286 HZ1 LYS 34 3HZ LYS 34 9.976 -12.911 5.823 287 HZ2 LYS 34 1HZ LYS 34 9.333 -11.381 6.149 288 HZ3 LYS 34 2HZ LYS 34 10.533 -11.582 4.973 289 H GLY 35 H GLY 35 6.875 -12.683 -0.202 290 HA2 GLY 35 2HA GLY 35 5.592 -11.384 -1.795 291 HA3 GLY 35 1HA GLY 35 4.441 -11.064 -0.505 292 H VAL 36 H VAL 36 7.171 -10.029 -2.179 293 HA VAL 36 HA VAL 36 7.898 -8.127 -0.173 294 HB VAL 36 HB VAL 36 9.380 -7.074 -1.938 295 HG11 VAL 36 1HG1 VAL 36 11.011 -8.898 -2.008 296 HG12 VAL 36 2HG1 VAL 36 9.754 -10.025 -1.503 297 HG13 VAL 36 3HG1 VAL 36 10.270 -8.737 -0.415 298 HG21 VAL 36 3HG2 VAL 36 9.799 -8.332 -4.020 299 HG22 VAL 36 1HG2 VAL 36 8.156 -7.695 -3.929 300 HG23 VAL 36 2HG2 VAL 36 8.456 -9.409 -3.619 301 H LYS 37 H LYS 37 6.658 -6.654 0.326 302 HA LYS 37 HA LYS 37 4.600 -5.634 -1.410 303 HB2 LYS 37 2HB LYS 37 5.323 -5.095 1.464 304 HB3 LYS 37 1HB LYS 37 3.913 -4.422 0.652 305 HG2 LYS 37 2HG LYS 37 3.020 -6.633 0.296 306 HG3 LYS 37 1HG LYS 37 4.478 -7.358 0.953 307 HD2 LYS 37 2HD LYS 37 3.995 -6.505 3.133 308 HD3 LYS 37 1HD LYS 37 2.627 -5.569 2.516 309 HE2 LYS 37 2HE LYS 37 1.432 -7.543 1.955 310 HE3 LYS 37 1HE LYS 37 2.825 -8.563 2.290 311 HZ1 LYS 37 3HZ LYS 37 1.144 -8.592 4.024 312 HZ2 LYS 37 1HZ LYS 37 1.388 -6.949 4.332 313 HZ3 LYS 37 2HZ LYS 37 2.639 -8.102 4.574 314 H ILE 38 H ILE 38 4.656 -3.726 -2.415 315 HA ILE 38 HA ILE 38 6.780 -1.852 -1.711 316 HB ILE 38 HB ILE 38 6.019 -2.647 -4.554 317 HG12 ILE 38 2HG1 ILE 38 8.556 -3.170 -2.999 318 HG13 ILE 38 1HG1 ILE 38 7.357 -4.385 -3.419 319 HG21 ILE 38 1HG2 ILE 38 7.886 -1.199 -5.239 320 HG22 ILE 38 2HG2 ILE 38 8.139 -0.735 -3.556 321 HG23 ILE 38 3HG2 ILE 38 6.640 -0.295 -4.375 322 HD11 ILE 38 3HD1 ILE 38 9.103 -2.849 -5.334 323 HD12 ILE 38 1HD1 ILE 38 7.873 -4.031 -5.794 324 HD13 ILE 38 2HD1 ILE 38 9.279 -4.542 -4.862 325 H GLY 39 H GLY 39 6.160 0.244 -1.819 326 HA2 GLY 39 2HA GLY 39 3.473 0.784 -2.854 327 HA3 GLY 39 1HA GLY 39 3.980 1.424 -1.293 328 H LEU 40 H LEU 40 3.186 2.799 -3.685 329 HA LEU 40 HA LEU 40 5.670 4.118 -4.475 330 HB2 LEU 40 2HB LEU 40 4.150 3.443 -6.251 331 HB3 LEU 40 1HB LEU 40 2.851 4.365 -5.569 332 HG LEU 40 HG LEU 40 4.315 6.423 -5.976 333 HD11 LEU 40 1HD1 LEU 40 6.047 6.166 -7.696 334 HD12 LEU 40 2HD1 LEU 40 5.851 4.418 -7.608 335 HD13 LEU 40 3HD1 LEU 40 6.438 5.310 -6.207 336 HD21 LEU 40 3HD2 LEU 40 3.421 4.799 -8.345 337 HD22 LEU 40 1HD2 LEU 40 3.742 6.534 -8.337 338 HD23 LEU 40 2HD2 LEU 40 2.408 5.879 -7.377 339 H PHE 41 H PHE 41 6.221 5.949 -3.593 340 HA PHE 41 HA PHE 41 4.301 7.398 -1.883 341 HB2 PHE 41 2HB PHE 41 7.267 7.022 -1.540 342 HB3 PHE 41 1HB PHE 41 6.264 8.039 -0.541 343 HD1 PHE 41 1HD PHE 41 4.622 7.022 0.972 344 HD2 PHE 41 2HD PHE 41 7.318 4.666 -1.310 345 HE1 PHE 41 1HE PHE 41 4.173 5.109 2.426 346 HE2 PHE 41 2HE PHE 41 6.870 2.739 0.136 347 HZ PHE 41 HZ PHE 41 5.294 2.960 2.009 348 H LYS 42 H LYS 42 5.397 9.632 -1.371 349 HA LYS 42 HA LYS 42 6.486 10.784 -3.814 350 HB2 LYS 42 2HB LYS 42 4.054 11.256 -3.609 351 HB3 LYS 42 1HB LYS 42 4.338 11.940 -2.021 352 HG2 LYS 42 2HG LYS 42 5.581 13.768 -2.989 353 HG3 LYS 42 1HG LYS 42 5.446 13.042 -4.594 354 HD2 LYS 42 2HD LYS 42 3.038 13.274 -4.549 355 HD3 LYS 42 1HD LYS 42 3.106 13.863 -2.886 356 HE2 LYS 42 2HE LYS 42 2.773 15.686 -4.442 357 HE3 LYS 42 1HE LYS 42 4.318 15.811 -3.612 358 HZ1 LYS 42 3HZ LYS 42 3.883 14.960 -6.442 359 HZ2 LYS 42 1HZ LYS 42 5.380 14.872 -5.650 360 HZ3 LYS 42 2HZ LYS 42 4.629 16.337 -5.853 361 H ASP 43 H ASP 43 8.393 11.508 -3.343 362 HA ASP 43 HA ASP 43 9.485 11.558 -0.725 363 HB2 ASP 43 2HB ASP 43 10.854 10.959 -2.623 364 HB3 ASP 43 1HB ASP 43 10.605 12.538 -3.349 365 HA PRO 44 HA PRO 44 8.384 15.606 0.631 366 HB2 PRO 44 2HB PRO 44 10.283 15.870 2.595 367 HB3 PRO 44 1HB PRO 44 8.769 14.976 2.765 368 HG2 PRO 44 2HG PRO 44 11.516 13.944 2.184 369 HG3 PRO 44 1HG PRO 44 10.253 13.268 3.224 370 HD2 PRO 44 2HD PRO 44 10.776 12.316 0.765 371 HD3 PRO 44 1HD PRO 44 9.139 12.316 1.457 372 H GLU 45 H GLU 45 11.797 15.061 -0.349 373 HA GLU 45 HA GLU 45 12.138 17.975 -0.337 374 HB2 GLU 45 2HB GLU 45 14.246 15.843 -0.631 375 HB3 GLU 45 1HB GLU 45 14.558 17.566 -0.705 376 HG2 GLU 45 2HG GLU 45 13.638 17.723 1.626 377 HG3 GLU 45 1HG GLU 45 13.628 15.960 1.654 378 H THR 46 H THR 46 12.030 15.290 -2.476 379 HA THR 46 HA THR 46 12.701 17.118 -4.660 380 HB THR 46 HB THR 46 12.889 14.982 -6.056 381 HG1 THR 46 1HG THR 46 12.620 13.921 -3.430 382 HG21 THR 46 3HG2 THR 46 14.837 16.244 -5.279 383 HG22 THR 46 1HG2 THR 46 15.149 14.510 -5.214 384 HG23 THR 46 2HG2 THR 46 14.780 15.398 -3.734 385 H GLY 47 H GLY 47 10.000 15.414 -3.350 386 HA2 GLY 47 2HA GLY 47 7.822 15.704 -3.843 387 HA3 GLY 47 1HA GLY 47 8.292 16.714 -5.204 388 H LYS 48 H LYS 48 9.977 13.955 -5.545 389 HA LYS 48 HA LYS 48 8.341 13.141 -7.766 390 HB2 LYS 48 2HB LYS 48 10.137 11.584 -8.281 391 HB3 LYS 48 1HB LYS 48 10.782 13.185 -7.943 392 HG2 LYS 48 2HG LYS 48 11.466 12.488 -5.730 393 HG3 LYS 48 1HG LYS 48 10.725 10.908 -5.969 394 HD2 LYS 48 2HD LYS 48 13.125 10.762 -6.277 395 HD3 LYS 48 1HD LYS 48 12.298 10.467 -7.802 396 HE2 LYS 48 2HE LYS 48 12.768 12.756 -8.514 397 HE3 LYS 48 1HE LYS 48 13.545 13.088 -6.965 398 HZ1 LYS 48 3HZ LYS 48 15.200 12.621 -8.609 399 HZ2 LYS 48 1HZ LYS 48 14.460 11.162 -9.025 400 HZ3 LYS 48 2HZ LYS 48 15.165 11.355 -7.507 401 H TYR 49 H TYR 49 7.725 10.925 -8.138 402 HA TYR 49 HA TYR 49 6.751 9.671 -5.711 403 HB2 TYR 49 2HB TYR 49 6.088 9.324 -8.636 404 HB3 TYR 49 1HB TYR 49 5.551 8.168 -7.421 405 HD1 TYR 49 1HD TYR 49 5.379 11.795 -8.299 406 HD2 TYR 49 2HD TYR 49 3.594 8.533 -6.233 407 HE1 TYR 49 1HE TYR 49 3.405 13.184 -7.791 408 HE2 TYR 49 2HE TYR 49 1.634 9.915 -5.729 409 HH TYR 49 HH TYR 49 0.990 12.108 -5.582 410 H PHE 50 H PHE 50 7.810 8.019 -4.838 411 HA PHE 50 HA PHE 50 9.620 6.514 -6.607 412 HB2 PHE 50 2HB PHE 50 11.287 6.361 -4.845 413 HB3 PHE 50 1HB PHE 50 10.912 8.054 -5.098 414 HD1 PHE 50 1HD PHE 50 9.436 9.236 -3.399 415 HD2 PHE 50 2HD PHE 50 11.027 5.341 -2.730 416 HE1 PHE 50 1HE PHE 50 9.026 9.476 -0.976 417 HE2 PHE 50 2HE PHE 50 10.610 5.581 -0.312 418 HZ PHE 50 HZ PHE 50 9.610 7.647 0.564 419 H ARG 51 H ARG 51 9.471 4.278 -6.402 420 HA ARG 51 HA ARG 51 7.566 3.398 -4.457 421 HB2 ARG 51 2HB ARG 51 7.536 1.339 -5.615 422 HB3 ARG 51 1HB ARG 51 7.384 2.620 -6.795 423 HG2 ARG 51 2HG ARG 51 9.749 2.274 -7.425 424 HG3 ARG 51 1HG ARG 51 9.849 0.978 -6.224 425 HD2 ARG 51 2HD ARG 51 7.985 -0.155 -7.338 426 HD3 ARG 51 1HD ARG 51 8.010 1.059 -8.613 427 HE ARG 51 HE ARG 51 10.535 -0.057 -8.429 428 HH11 ARG 51 1HH1 ARG 51 7.222 -0.964 -9.347 429 HH12 ARG 51 2HH1 ARG 51 7.656 -2.348 -10.205 430 HH21 ARG 51 1HH2 ARG 51 11.159 -2.000 -9.702 431 HH22 ARG 51 2HH2 ARG 51 9.934 -2.926 -10.443 432 H HIS 52 H HIS 52 8.024 2.156 -2.782 433 HA HIS 52 HA HIS 52 10.811 1.370 -2.349 434 HB2 HIS 52 2HB HIS 52 10.373 3.632 -1.332 435 HB3 HIS 52 1HB HIS 52 9.136 2.888 -0.333 436 HD1 HIS 52 1HD HIS 52 10.032 1.200 1.567 437 HD2 HIS 52 2HD HIS 52 12.951 3.379 -0.433 438 HE1 HIS 52 1HE HIS 52 12.014 1.085 3.003 439 HE2 HIS 52 2HE HIS 52 13.856 2.073 1.601 440 H LYS 53 H LYS 53 10.975 -0.478 -1.029 441 HA LYS 53 HA LYS 53 8.725 -2.154 -0.879 442 HB2 LYS 53 2HB LYS 53 11.057 -3.046 -0.927 443 HB3 LYS 53 1HB LYS 53 11.327 -2.386 0.684 444 HG2 LYS 53 2HG LYS 53 9.405 -3.806 1.473 445 HG3 LYS 53 1HG LYS 53 9.414 -4.570 -0.103 446 HD2 LYS 53 2HD LYS 53 11.652 -5.424 0.287 447 HD3 LYS 53 1HD LYS 53 11.739 -4.544 1.824 448 HE2 LYS 53 2HE LYS 53 9.781 -5.809 2.639 449 HE3 LYS 53 1HE LYS 53 9.757 -6.717 1.135 450 HZ1 LYS 53 3HZ LYS 53 11.998 -6.737 3.092 451 HZ2 LYS 53 1HZ LYS 53 11.864 -7.729 1.731 452 HZ3 LYS 53 2HZ LYS 53 10.770 -7.860 3.024 453 H LEU 54 H LEU 54 7.395 -2.621 0.760 454 HA LEU 54 HA LEU 54 7.257 -0.750 3.007 455 HB2 LEU 54 2HB LEU 54 5.269 -2.906 2.323 456 HB3 LEU 54 1HB LEU 54 5.027 -1.472 3.240 457 HG LEU 54 HG LEU 54 5.475 -1.424 0.266 458 HD11 LEU 54 1HD1 LEU 54 2.935 -1.094 1.858 459 HD12 LEU 54 2HD1 LEU 54 3.339 -2.472 0.837 460 HD13 LEU 54 3HD1 LEU 54 3.107 -0.882 0.116 461 HD21 LEU 54 3HD2 LEU 54 6.226 0.567 1.404 462 HD22 LEU 54 1HD2 LEU 54 4.667 0.705 2.229 463 HD23 LEU 54 2HD2 LEU 54 4.761 0.884 0.472 464 HA PRO 55 HA PRO 55 8.309 -4.126 5.827 465 HB2 PRO 55 2HB PRO 55 5.714 -3.836 7.241 466 HB3 PRO 55 1HB PRO 55 7.353 -3.660 7.888 467 HG2 PRO 55 2HG PRO 55 5.854 -1.494 7.538 468 HG3 PRO 55 1HG PRO 55 7.566 -1.465 7.075 469 HD2 PRO 55 2HD PRO 55 5.174 -1.948 5.335 470 HD3 PRO 55 1HD PRO 55 6.471 -0.808 5.021 471 H ASP 56 H ASP 56 8.014 -6.319 5.796 472 HA ASP 56 HA ASP 56 6.396 -7.377 3.757 473 HB2 ASP 56 2HB ASP 56 7.849 -8.818 5.969 474 HB3 ASP 56 1HB ASP 56 7.078 -9.632 4.619 475 H ASP 57 H ASP 57 5.719 -6.885 7.077 476 HA ASP 57 HA ASP 57 3.326 -8.555 6.823 477 HB2 ASP 57 2HB ASP 57 4.759 -7.646 9.327 478 HB3 ASP 57 1HB ASP 57 3.226 -8.513 9.321 479 H TYR 58 H TYR 58 3.947 -5.612 6.091 480 HA TYR 58 HA TYR 58 2.117 -4.044 7.579 481 HB2 TYR 58 2HB TYR 58 3.864 -2.994 6.346 482 HB3 TYR 58 1HB TYR 58 3.379 -3.759 4.843 483 HD1 TYR 58 2HD TYR 58 2.394 -1.174 7.346 484 HD2 TYR 58 1HD TYR 58 1.891 -2.671 3.401 485 HE1 TYR 58 2HE TYR 58 1.133 0.857 6.730 486 HE2 TYR 58 1HE TYR 58 0.645 -0.659 2.782 487 HH TYR 58 HH TYR 58 0.487 2.138 4.718 488 HA PRO 59 HA PRO 59 -1.599 -5.907 6.091 489 HB2 PRO 59 2HB PRO 59 -3.364 -3.989 6.872 490 HB3 PRO 59 1HB PRO 59 -2.623 -5.147 7.982 491 HG2 PRO 59 2HG PRO 59 -1.869 -2.311 7.418 492 HG3 PRO 59 1HG PRO 59 -1.952 -3.156 8.975 493 HD2 PRO 59 2HD PRO 59 0.383 -2.719 7.694 494 HD3 PRO 59 1HD PRO 59 0.100 -4.179 8.666 495 H ILE 60 H ILE 60 -1.705 -6.029 3.937 496 HA ILE 60 HA ILE 60 -3.279 -4.024 2.641 497 HB ILE 60 HB ILE 60 -2.002 -4.120 0.524 498 HG12 ILE 60 2HG1 ILE 60 0.186 -5.565 2.042 499 HG13 ILE 60 1HG1 ILE 60 -0.893 -6.333 0.883 500 HG21 ILE 60 1HG2 ILE 60 -0.066 -2.757 1.130 501 HG22 ILE 60 2HG2 ILE 60 -0.308 -3.215 2.815 502 HG23 ILE 60 3HG2 ILE 60 -1.542 -2.269 1.980 503 HD11 ILE 60 3HD1 ILE 60 1.097 -4.145 0.300 504 HD12 ILE 60 1HD1 ILE 60 -0.016 -4.850 -0.876 505 HD13 ILE 60 2HD1 ILE 60 1.232 -5.849 -0.139 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -4.288 8.489 19.664 2 H2 MET 1 2HT MET 1 -5.092 8.517 18.158 3 H3 MET 1 3HT MET 1 -4.316 9.871 18.700 4 HA MET 1 HA MET 1 -2.196 8.899 18.481 5 HB2 MET 1 2HB MET 1 -3.682 6.479 17.392 6 HB3 MET 1 1HB MET 1 -1.943 6.686 17.431 7 HG2 MET 1 2HG MET 1 -3.756 6.403 19.816 8 HG3 MET 1 1HG MET 1 -2.656 5.185 19.175 9 HE1 MET 1 2HE MET 1 -1.590 4.809 21.546 10 HE2 MET 1 3HE MET 1 -2.709 5.993 22.220 11 HE3 MET 1 1HE MET 1 -0.986 6.110 22.569 12 H SER 2 H SER 2 -1.165 8.686 16.270 13 HA SER 2 HA SER 2 -2.267 10.492 14.488 14 HB2 SER 2 2HB SER 2 -0.236 8.331 13.916 15 HB3 SER 2 1HB SER 2 -0.434 9.857 13.047 16 HG SER 2 HG SER 2 -0.147 10.746 15.328 17 H SER 3 H SER 3 -4.030 10.244 13.284 18 HA SER 3 HA SER 3 -4.457 7.803 11.837 19 HB2 SER 3 2HB SER 3 -6.851 7.762 12.759 20 HB3 SER 3 1HB SER 3 -5.565 7.175 13.818 21 HG SER 3 HG SER 3 -5.574 9.192 14.863 22 H GLY 4 H GLY 4 -6.155 8.047 10.244 23 HA2 GLY 4 2HA GLY 4 -7.743 9.744 9.266 24 HA3 GLY 4 1HA GLY 4 -6.346 10.832 9.318 25 H LYS 5 H LYS 5 -4.457 8.826 8.873 26 HA LYS 5 HA LYS 5 -5.011 7.794 6.214 27 HB2 LYS 5 2HB LYS 5 -2.334 8.974 7.073 28 HB3 LYS 5 1HB LYS 5 -2.689 8.233 5.537 29 HG2 LYS 5 2HG LYS 5 -2.544 10.534 5.126 30 HG3 LYS 5 1HG LYS 5 -4.272 10.190 5.143 31 HD2 LYS 5 2HD LYS 5 -4.430 10.928 7.405 32 HD3 LYS 5 1HD LYS 5 -2.694 11.212 7.469 33 HE2 LYS 5 2HE LYS 5 -2.889 12.925 5.730 34 HE3 LYS 5 1HE LYS 5 -4.622 12.639 5.620 35 HZ1 LYS 5 3HZ LYS 5 -4.126 14.581 6.954 36 HZ2 LYS 5 1HZ LYS 5 -3.191 13.671 8.011 37 HZ3 LYS 5 2HZ LYS 5 -4.855 13.404 7.906 38 H LYS 6 H LYS 6 -3.245 6.204 5.857 39 HA LYS 6 HA LYS 6 -2.314 5.018 8.344 40 HB2 LYS 6 2HB LYS 6 -4.381 3.857 7.590 41 HB3 LYS 6 1HB LYS 6 -3.631 3.486 6.064 42 HG2 LYS 6 2HG LYS 6 -2.468 2.464 8.655 43 HG3 LYS 6 1HG LYS 6 -3.827 1.650 7.897 44 HD2 LYS 6 2HD LYS 6 -1.117 2.132 6.653 45 HD3 LYS 6 1HD LYS 6 -1.707 0.599 7.299 46 HE2 LYS 6 2HE LYS 6 -3.538 0.643 5.620 47 HE3 LYS 6 1HE LYS 6 -2.859 2.131 4.974 48 HZ1 LYS 6 3HZ LYS 6 -1.533 -0.508 5.006 49 HZ2 LYS 6 1HZ LYS 6 -0.823 0.954 4.509 50 HZ3 LYS 6 2HZ LYS 6 -2.161 0.314 3.666 51 HA PRO 7 HA PRO 7 1.043 5.588 5.383 52 HB2 PRO 7 2HB PRO 7 2.599 7.107 6.964 53 HB3 PRO 7 1HB PRO 7 1.197 7.760 6.114 54 HG2 PRO 7 2HG PRO 7 1.555 7.272 8.983 55 HG3 PRO 7 1HG PRO 7 0.387 8.305 8.146 56 HD2 PRO 7 2HD PRO 7 -0.000 5.624 9.191 57 HD3 PRO 7 1HD PRO 7 -1.188 6.738 8.479 58 H VAL 8 H VAL 8 3.577 5.486 5.922 59 HA VAL 8 HA VAL 8 4.152 3.655 8.062 60 HB VAL 8 HB VAL 8 3.705 2.219 6.032 61 HG11 VAL 8 1HG1 VAL 8 5.274 2.192 4.182 62 HG12 VAL 8 2HG1 VAL 8 6.031 3.653 4.822 63 HG13 VAL 8 3HG1 VAL 8 4.352 3.695 4.281 64 HG21 VAL 8 3HG2 VAL 8 6.570 2.225 6.975 65 HG22 VAL 8 1HG2 VAL 8 5.758 0.886 6.161 66 HG23 VAL 8 2HG2 VAL 8 5.215 1.406 7.756 67 H LYS 9 H LYS 9 6.267 3.931 8.806 68 HA LYS 9 HA LYS 9 7.641 6.290 8.055 69 HB2 LYS 9 2HB LYS 9 8.426 3.918 9.759 70 HB3 LYS 9 1HB LYS 9 9.412 5.361 9.571 71 HG2 LYS 9 2HG LYS 9 7.726 6.713 10.576 72 HG3 LYS 9 1HG LYS 9 6.606 5.353 10.655 73 HD2 LYS 9 2HD LYS 9 8.115 4.209 12.194 74 HD3 LYS 9 1HD LYS 9 9.245 5.562 12.086 75 HE2 LYS 9 2HE LYS 9 7.897 5.695 14.124 76 HE3 LYS 9 1HE LYS 9 7.581 7.051 13.050 77 HZ1 LYS 9 3HZ LYS 9 5.851 4.634 13.259 78 HZ2 LYS 9 1HZ LYS 9 5.496 6.041 12.384 79 HZ3 LYS 9 2HZ LYS 9 5.585 6.091 14.054 80 H VAL 10 H VAL 10 8.643 6.408 6.161 81 HA VAL 10 HA VAL 10 10.118 4.050 5.270 82 HB VAL 10 HB VAL 10 8.030 4.222 4.062 83 HG11 VAL 10 1HG1 VAL 10 7.566 6.068 2.497 84 HG12 VAL 10 2HG1 VAL 10 8.961 6.932 3.145 85 HG13 VAL 10 3HG1 VAL 10 7.580 6.585 4.184 86 HG21 VAL 10 3HG2 VAL 10 10.403 4.872 2.334 87 HG22 VAL 10 1HG2 VAL 10 8.865 4.213 1.763 88 HG23 VAL 10 2HG2 VAL 10 9.862 3.273 2.873 89 H LYS 11 H LYS 11 12.034 4.383 4.333 90 HA LYS 11 HA LYS 11 13.361 6.901 4.716 91 HB2 LYS 11 2HB LYS 11 14.248 4.317 3.422 92 HB3 LYS 11 1HB LYS 11 15.283 5.730 3.554 93 HG2 LYS 11 2HG LYS 11 15.184 5.610 5.962 94 HG3 LYS 11 1HG LYS 11 14.073 4.232 5.875 95 HD2 LYS 11 2HD LYS 11 15.783 2.902 4.823 96 HD3 LYS 11 1HD LYS 11 16.870 4.289 4.747 97 HE2 LYS 11 2HE LYS 11 17.461 2.789 6.592 98 HE3 LYS 11 1HE LYS 11 16.953 4.364 7.186 99 HZ1 LYS 11 3HZ LYS 11 14.842 3.469 7.810 100 HZ2 LYS 11 1HZ LYS 11 16.042 2.495 8.444 101 HZ3 LYS 11 2HZ LYS 11 15.185 1.973 7.101 102 H THR 12 H THR 12 13.201 8.519 3.382 103 HA THR 12 HA THR 12 12.241 8.010 0.697 104 HB THR 12 HB THR 12 11.658 10.336 0.637 105 HG1 THR 12 1HG THR 12 12.726 11.687 1.621 106 HG21 THR 12 3HG2 THR 12 10.234 10.585 2.623 107 HG22 THR 12 1HG2 THR 12 11.079 9.237 3.384 108 HG23 THR 12 2HG2 THR 12 10.126 8.974 1.918 109 HA PRO 13 HA PRO 13 16.097 8.986 -1.402 110 HB2 PRO 13 2HB PRO 13 14.757 11.187 -2.884 111 HB3 PRO 13 1HB PRO 13 15.583 9.751 -3.497 112 HG2 PRO 13 2HG PRO 13 12.916 9.938 -3.558 113 HG3 PRO 13 1HG PRO 13 13.735 8.395 -3.235 114 HD2 PRO 13 2HD PRO 13 12.404 10.289 -1.356 115 HD3 PRO 13 1HD PRO 13 12.385 8.515 -1.378 116 H ALA 14 H ALA 14 14.291 11.624 0.026 117 HA ALA 14 HA ALA 14 16.322 13.586 0.033 118 HB1 ALA 14 1HB ALA 14 14.096 13.213 2.027 119 HB2 ALA 14 2HB ALA 14 13.947 14.040 0.481 120 HB3 ALA 14 3HB ALA 14 15.004 14.700 1.736 121 H GLY 15 H GLY 15 15.987 10.689 1.792 122 HA2 GLY 15 2HA GLY 15 17.572 9.710 3.166 123 HA3 GLY 15 1HA GLY 15 18.444 11.238 3.209 124 H LYS 16 H LYS 16 15.133 10.372 4.072 125 HA LYS 16 HA LYS 16 15.693 10.746 6.873 126 HB2 LYS 16 2HB LYS 16 13.887 12.389 7.187 127 HB3 LYS 16 1HB LYS 16 15.128 13.059 6.140 128 HG2 LYS 16 2HG LYS 16 13.693 12.332 4.208 129 HG3 LYS 16 1HG LYS 16 12.436 11.983 5.369 130 HD2 LYS 16 2HD LYS 16 13.692 14.723 5.077 131 HD3 LYS 16 1HD LYS 16 12.234 14.238 4.233 132 HE2 LYS 16 2HE LYS 16 11.493 15.462 6.105 133 HE3 LYS 16 1HE LYS 16 11.233 13.781 6.530 134 HZ1 LYS 16 3HZ LYS 16 13.478 15.503 7.456 135 HZ2 LYS 16 1HZ LYS 16 13.268 13.893 7.917 136 HZ3 LYS 16 2HZ LYS 16 12.147 15.053 8.352 137 H GLU 17 H GLU 17 13.837 9.984 8.120 138 HA GLU 17 HA GLU 17 12.233 8.128 6.532 139 HB2 GLU 17 2HB GLU 17 12.846 8.025 9.494 140 HB3 GLU 17 1HB GLU 17 11.872 6.858 8.609 141 HG2 GLU 17 2HG GLU 17 13.858 6.382 7.205 142 HG3 GLU 17 1HG GLU 17 14.813 7.379 8.303 143 H ALA 18 H ALA 18 10.343 8.829 6.138 144 HA ALA 18 HA ALA 18 9.019 10.573 8.103 145 HB1 ALA 18 1HB ALA 18 9.740 11.874 6.160 146 HB2 ALA 18 2HB ALA 18 7.980 11.742 6.208 147 HB3 ALA 18 3HB ALA 18 8.906 10.747 5.090 148 H GLU 19 H GLU 19 6.778 10.282 8.275 149 HA GLU 19 HA GLU 19 5.920 7.675 7.406 150 HB2 GLU 19 2HB GLU 19 4.500 9.768 9.064 151 HB3 GLU 19 1HB GLU 19 3.882 8.155 8.734 152 HG2 GLU 19 2HG GLU 19 5.804 7.188 9.837 153 HG3 GLU 19 1HG GLU 19 6.426 8.792 10.203 154 H LEU 20 H LEU 20 5.402 7.570 5.444 155 HA LEU 20 HA LEU 20 3.784 9.700 4.235 156 HB2 LEU 20 2HB LEU 20 5.702 7.759 2.979 157 HB3 LEU 20 1HB LEU 20 4.689 8.873 2.074 158 HG LEU 20 HG LEU 20 6.982 9.569 3.912 159 HD11 LEU 20 1HD1 LEU 20 8.074 10.282 1.864 160 HD12 LEU 20 2HD1 LEU 20 6.661 9.811 0.925 161 HD13 LEU 20 3HD1 LEU 20 7.613 8.584 1.759 162 HD21 LEU 20 3HD2 LEU 20 5.262 11.298 4.023 163 HD22 LEU 20 1HD2 LEU 20 5.206 11.365 2.257 164 HD23 LEU 20 2HD2 LEU 20 6.664 11.866 3.112 165 H VAL 21 H VAL 21 1.904 9.088 3.364 166 HA VAL 21 HA VAL 21 1.236 6.300 3.614 167 HB VAL 21 HB VAL 21 -0.388 7.921 4.504 168 HG11 VAL 21 1HG1 VAL 21 -1.675 9.399 3.075 169 HG12 VAL 21 2HG1 VAL 21 -0.641 8.956 1.709 170 HG13 VAL 21 3HG1 VAL 21 0.045 9.795 3.100 171 HG21 VAL 21 3HG2 VAL 21 -1.306 5.832 3.721 172 HG22 VAL 21 1HG2 VAL 21 -1.454 6.475 2.081 173 HG23 VAL 21 2HG2 VAL 21 -2.433 7.143 3.389 174 HA PRO 22 HA PRO 22 2.399 5.669 -0.556 175 HB2 PRO 22 2HB PRO 22 1.249 3.190 -0.842 176 HB3 PRO 22 1HB PRO 22 2.825 3.471 -0.099 177 HG2 PRO 22 2HG PRO 22 0.178 2.987 1.181 178 HG3 PRO 22 1HG PRO 22 1.784 2.451 1.698 179 HD2 PRO 22 2HD PRO 22 0.457 4.517 2.840 180 HD3 PRO 22 1HD PRO 22 2.229 4.428 2.770 181 H GLU 23 H GLU 23 1.523 6.044 -2.452 182 HA GLU 23 HA GLU 23 -1.209 6.819 -2.641 183 HB2 GLU 23 2HB GLU 23 0.658 7.993 -3.779 184 HB3 GLU 23 1HB GLU 23 1.003 6.551 -4.705 185 HG2 GLU 23 2HG GLU 23 -1.643 7.933 -4.932 186 HG3 GLU 23 1HG GLU 23 -0.225 8.509 -5.803 187 H LYS 24 H LYS 24 0.779 4.250 -4.041 188 HA LYS 24 HA LYS 24 -1.578 2.592 -4.026 189 HB2 LYS 24 2HB LYS 24 -0.840 1.529 -6.224 190 HB3 LYS 24 1HB LYS 24 -1.519 3.141 -6.336 191 HG2 LYS 24 2HG LYS 24 0.616 4.107 -6.708 192 HG3 LYS 24 1HG LYS 24 1.442 2.606 -6.306 193 HD2 LYS 24 2HD LYS 24 1.417 2.925 -8.722 194 HD3 LYS 24 1HD LYS 24 0.429 1.538 -8.287 195 HE2 LYS 24 2HE LYS 24 -0.727 2.782 -9.975 196 HE3 LYS 24 1HE LYS 24 -1.586 3.000 -8.457 197 HZ1 LYS 24 3HZ LYS 24 -0.452 5.206 -8.248 198 HZ2 LYS 24 1HZ LYS 24 -1.409 5.081 -9.624 199 HZ3 LYS 24 2HZ LYS 24 0.258 4.949 -9.737 200 H VAL 25 H VAL 25 -1.227 0.424 -3.585 201 HA VAL 25 HA VAL 25 1.525 -0.297 -2.849 202 HB VAL 25 HB VAL 25 0.601 -1.690 -0.991 203 HG11 VAL 25 1HG1 VAL 25 0.109 0.126 0.558 204 HG12 VAL 25 2HG1 VAL 25 -0.108 1.225 -0.808 205 HG13 VAL 25 3HG1 VAL 25 1.474 0.516 -0.491 206 HG21 VAL 25 3HG2 VAL 25 -1.695 -1.284 -0.191 207 HG22 VAL 25 1HG2 VAL 25 -1.673 -2.017 -1.796 208 HG23 VAL 25 2HG2 VAL 25 -2.005 -0.294 -1.614 209 H TRP 26 H TRP 26 2.166 -2.410 -3.276 210 HA TRP 26 HA TRP 26 0.245 -4.301 -4.243 211 HB2 TRP 26 2HB TRP 26 1.400 -4.698 -6.406 212 HB3 TRP 26 1HB TRP 26 0.695 -3.094 -6.313 213 HD1 TRP 26 HD TRP 26 3.891 -4.879 -7.019 214 HE1 TRP 26 1HE TRP 26 5.785 -3.190 -7.476 215 HE3 TRP 26 3HE TRP 26 1.586 -0.615 -5.462 216 HZ2 TRP 26 2HZ TRP 26 6.226 -0.432 -7.217 217 HZ3 TRP 26 3HZ TRP 26 2.817 1.504 -5.597 218 HH2 TRP 26 HH TRP 26 5.063 1.606 -6.451 219 H ALA 27 H ALA 27 1.055 -6.437 -4.339 220 HA ALA 27 HA ALA 27 3.635 -6.757 -2.991 221 HB1 ALA 27 1HB ALA 27 1.770 -7.274 -1.475 222 HB2 ALA 27 2HB ALA 27 2.714 -8.716 -1.858 223 HB3 ALA 27 3HB ALA 27 1.158 -8.449 -2.641 224 H LEU 28 H LEU 28 5.026 -7.829 -4.043 225 HA LEU 28 HA LEU 28 4.245 -9.289 -6.449 226 HB2 LEU 28 2HB LEU 28 6.986 -8.552 -5.434 227 HB3 LEU 28 1HB LEU 28 6.679 -9.385 -6.942 228 HG LEU 28 HG LEU 28 5.379 -7.250 -7.600 229 HD11 LEU 28 1HD1 LEU 28 6.134 -5.203 -6.524 230 HD12 LEU 28 2HD1 LEU 28 7.015 -6.155 -5.329 231 HD13 LEU 28 3HD1 LEU 28 5.257 -6.244 -5.403 232 HD21 LEU 28 3HD2 LEU 28 8.370 -7.200 -7.266 233 HD22 LEU 28 1HD2 LEU 28 7.442 -6.157 -8.344 234 HD23 LEU 28 2HD2 LEU 28 7.471 -7.896 -8.615 235 H ALA 29 H ALA 29 3.833 -11.397 -6.131 236 HA ALA 29 HA ALA 29 5.565 -12.805 -4.221 237 HB1 ALA 29 1HB ALA 29 3.753 -14.361 -3.768 238 HB2 ALA 29 2HB ALA 29 2.704 -13.504 -4.898 239 HB3 ALA 29 3HB ALA 29 3.242 -12.712 -3.416 240 HA PRO 30 HA PRO 30 6.415 -14.717 -8.267 241 HB2 PRO 30 2HB PRO 30 9.166 -14.925 -7.406 242 HB3 PRO 30 1HB PRO 30 8.506 -13.919 -8.695 243 HG2 PRO 30 2HG PRO 30 9.553 -12.925 -6.359 244 HG3 PRO 30 1HG PRO 30 8.357 -12.077 -7.347 245 HD2 PRO 30 2HD PRO 30 7.960 -13.674 -4.848 246 HD3 PRO 30 1HD PRO 30 7.196 -12.156 -5.358 247 H LYS 31 H LYS 31 6.822 -16.845 -8.714 248 HA LYS 31 HA LYS 31 6.432 -18.702 -6.588 249 HB2 LYS 31 2HB LYS 31 7.086 -19.142 -9.510 250 HB3 LYS 31 1HB LYS 31 6.616 -20.406 -8.379 251 HG2 LYS 31 2HG LYS 31 4.432 -19.418 -8.106 252 HG3 LYS 31 1HG LYS 31 4.893 -18.038 -9.094 253 HD2 LYS 31 2HD LYS 31 3.531 -19.620 -10.355 254 HD3 LYS 31 1HD LYS 31 5.152 -19.498 -11.035 255 HE2 LYS 31 2HE LYS 31 5.777 -21.586 -9.904 256 HE3 LYS 31 1HE LYS 31 4.163 -21.688 -9.200 257 HZ1 LYS 31 3HZ LYS 31 4.809 -21.788 -12.099 258 HZ2 LYS 31 1HZ LYS 31 3.256 -21.876 -11.424 259 HZ3 LYS 31 2HZ LYS 31 4.363 -23.095 -11.122 260 H GLY 32 H GLY 32 8.070 -18.870 -5.212 261 HA2 GLY 32 2HA GLY 32 10.160 -20.259 -5.045 262 HA3 GLY 32 1HA GLY 32 10.773 -19.199 -6.315 263 H ARG 33 H ARG 33 9.008 -17.099 -4.824 264 HA ARG 33 HA ARG 33 10.932 -16.557 -2.684 265 HB2 ARG 33 2HB ARG 33 9.805 -14.586 -4.663 266 HB3 ARG 33 1HB ARG 33 10.661 -14.108 -3.213 267 HG2 ARG 33 2HG ARG 33 12.631 -15.415 -4.094 268 HG3 ARG 33 1HG ARG 33 11.743 -15.555 -5.614 269 HD2 ARG 33 2HD ARG 33 13.260 -13.667 -5.713 270 HD3 ARG 33 1HD ARG 33 11.594 -13.093 -5.720 271 HE ARG 33 HE ARG 33 12.755 -13.221 -3.104 272 HH11 ARG 33 1HH1 ARG 33 12.343 -11.157 -5.964 273 HH12 ARG 33 2HH1 ARG 33 12.779 -9.721 -5.167 274 HH21 ARG 33 1HH2 ARG 33 13.341 -11.230 -2.010 275 HH22 ARG 33 2HH2 ARG 33 13.337 -9.761 -2.840 276 H LYS 34 H LYS 34 9.898 -14.475 -1.495 277 HA LYS 34 HA LYS 34 7.277 -15.386 -0.609 278 HB2 LYS 34 2HB LYS 34 9.165 -13.349 0.598 279 HB3 LYS 34 1HB LYS 34 7.674 -13.924 1.323 280 HG2 LYS 34 2HG LYS 34 8.627 -16.168 1.511 281 HG3 LYS 34 1HG LYS 34 10.120 -15.592 0.771 282 HD2 LYS 34 2HD LYS 34 10.409 -14.002 2.622 283 HD3 LYS 34 1HD LYS 34 8.920 -14.600 3.354 284 HE2 LYS 34 2HE LYS 34 9.951 -16.851 3.514 285 HE3 LYS 34 1HE LYS 34 11.444 -16.179 2.870 286 HZ1 LYS 34 3HZ LYS 34 11.497 -16.317 5.292 287 HZ2 LYS 34 1HZ LYS 34 10.132 -15.348 5.392 288 HZ3 LYS 34 2HZ LYS 34 11.566 -14.708 4.800 289 H GLY 35 H GLY 35 5.974 -13.276 0.195 290 HA2 GLY 35 2HA GLY 35 5.497 -11.748 -2.197 291 HA3 GLY 35 1HA GLY 35 4.590 -11.655 -0.693 292 H VAL 36 H VAL 36 6.442 -9.918 -2.637 293 HA VAL 36 HA VAL 36 7.762 -8.397 -0.498 294 HB VAL 36 HB VAL 36 8.062 -8.074 -3.503 295 HG11 VAL 36 1HG1 VAL 36 10.076 -6.788 -2.957 296 HG12 VAL 36 2HG1 VAL 36 9.723 -6.975 -1.237 297 HG13 VAL 36 3HG1 VAL 36 8.624 -6.060 -2.268 298 HG21 VAL 36 3HG2 VAL 36 9.883 -9.525 -1.573 299 HG22 VAL 36 1HG2 VAL 36 10.222 -9.228 -3.277 300 HG23 VAL 36 2HG2 VAL 36 8.880 -10.275 -2.812 301 H LYS 37 H LYS 37 6.551 -6.830 0.322 302 HA LYS 37 HA LYS 37 4.383 -5.613 -1.181 303 HB2 LYS 37 2HB LYS 37 5.430 -5.134 1.610 304 HB3 LYS 37 1HB LYS 37 4.040 -4.318 0.922 305 HG2 LYS 37 2HG LYS 37 2.876 -6.455 0.746 306 HG3 LYS 37 1HG LYS 37 4.290 -7.282 1.400 307 HD2 LYS 37 2HD LYS 37 4.088 -6.043 3.480 308 HD3 LYS 37 1HD LYS 37 2.749 -5.108 2.820 309 HE2 LYS 37 2HE LYS 37 1.875 -6.804 4.282 310 HE3 LYS 37 1HE LYS 37 1.442 -7.200 2.625 311 HZ1 LYS 37 3HZ LYS 37 3.300 -8.800 2.611 312 HZ2 LYS 37 1HZ LYS 37 2.167 -9.140 3.803 313 HZ3 LYS 37 2HZ LYS 37 3.629 -8.434 4.217 314 H ILE 38 H ILE 38 4.612 -3.783 -2.336 315 HA ILE 38 HA ILE 38 6.741 -1.925 -1.576 316 HB ILE 38 HB ILE 38 6.057 -2.705 -4.447 317 HG12 ILE 38 2HG1 ILE 38 8.535 -3.265 -2.784 318 HG13 ILE 38 1HG1 ILE 38 7.356 -4.450 -3.325 319 HG21 ILE 38 1HG2 ILE 38 7.932 -1.260 -5.101 320 HG22 ILE 38 2HG2 ILE 38 8.149 -0.785 -3.416 321 HG23 ILE 38 3HG2 ILE 38 6.669 -0.348 -4.269 322 HD11 ILE 38 3HD1 ILE 38 8.013 -4.035 -5.642 323 HD12 ILE 38 1HD1 ILE 38 9.381 -4.548 -4.651 324 HD13 ILE 38 2HD1 ILE 38 9.192 -2.848 -5.085 325 H GLY 39 H GLY 39 6.207 0.208 -1.756 326 HA2 GLY 39 2HA GLY 39 3.504 0.810 -2.723 327 HA3 GLY 39 1HA GLY 39 4.072 1.439 -1.182 328 H LEU 40 H LEU 40 3.231 2.777 -3.600 329 HA LEU 40 HA LEU 40 5.688 4.133 -4.422 330 HB2 LEU 40 2HB LEU 40 4.224 3.403 -6.189 331 HB3 LEU 40 1HB LEU 40 2.865 4.241 -5.507 332 HG LEU 40 HG LEU 40 4.038 6.399 -6.008 333 HD11 LEU 40 1HD1 LEU 40 5.942 6.304 -7.563 334 HD12 LEU 40 2HD1 LEU 40 5.996 4.557 -7.359 335 HD13 LEU 40 3HD1 LEU 40 6.326 5.616 -5.988 336 HD21 LEU 40 3HD2 LEU 40 3.710 6.286 -8.402 337 HD22 LEU 40 1HD2 LEU 40 2.396 5.483 -7.538 338 HD23 LEU 40 2HD2 LEU 40 3.665 4.526 -8.320 339 H PHE 41 H PHE 41 6.193 6.050 -3.658 340 HA PHE 41 HA PHE 41 4.264 7.492 -1.937 341 HB2 PHE 41 2HB PHE 41 7.212 7.103 -1.602 342 HB3 PHE 41 1HB PHE 41 6.211 8.096 -0.578 343 HD1 PHE 41 2HD PHE 41 4.573 6.977 0.929 344 HD2 PHE 41 1HD PHE 41 7.396 4.777 -1.362 345 HE1 PHE 41 2HE PHE 41 4.245 5.036 2.384 346 HE2 PHE 41 1HE PHE 41 7.073 2.837 0.097 347 HZ PHE 41 HZ PHE 41 5.501 2.965 1.967 348 H LYS 42 H LYS 42 4.913 9.753 -1.643 349 HA LYS 42 HA LYS 42 6.571 10.833 -3.811 350 HB2 LYS 42 2HB LYS 42 4.189 11.470 -4.057 351 HB3 LYS 42 1HB LYS 42 4.204 12.128 -2.430 352 HG2 LYS 42 2HG LYS 42 5.769 13.865 -3.117 353 HG3 LYS 42 1HG LYS 42 5.854 13.168 -4.737 354 HD2 LYS 42 2HD LYS 42 3.447 13.582 -5.026 355 HD3 LYS 42 1HD LYS 42 3.390 14.300 -3.419 356 HE2 LYS 42 2HE LYS 42 5.073 15.344 -5.702 357 HE3 LYS 42 1HE LYS 42 3.484 15.964 -5.277 358 HZ1 LYS 42 3HZ LYS 42 5.275 17.313 -4.378 359 HZ2 LYS 42 1HZ LYS 42 5.860 16.030 -3.472 360 HZ3 LYS 42 2HZ LYS 42 4.359 16.676 -3.143 361 H ASP 43 H ASP 43 8.398 11.522 -3.073 362 HA ASP 43 HA ASP 43 9.176 11.632 -0.371 363 HB2 ASP 43 2HB ASP 43 10.809 11.288 -2.159 364 HB3 ASP 43 1HB ASP 43 10.473 12.881 -2.801 365 HA PRO 44 HA PRO 44 7.457 15.486 0.844 366 HB2 PRO 44 2HB PRO 44 8.753 15.831 3.179 367 HB3 PRO 44 1HB PRO 44 7.472 14.631 2.961 368 HG2 PRO 44 2HG PRO 44 10.441 14.261 2.886 369 HG3 PRO 44 1HG PRO 44 9.215 13.269 3.705 370 HD2 PRO 44 2HD PRO 44 10.270 12.562 1.330 371 HD3 PRO 44 1HD PRO 44 8.578 12.222 1.754 372 H GLU 45 H GLU 45 10.912 15.199 0.272 373 HA GLU 45 HA GLU 45 11.190 18.068 0.718 374 HB2 GLU 45 2HB GLU 45 12.846 16.605 1.806 375 HB3 GLU 45 1HB GLU 45 13.329 16.008 0.226 376 HG2 GLU 45 2HG GLU 45 14.048 18.227 -0.423 377 HG3 GLU 45 1HG GLU 45 13.528 18.855 1.137 378 H THR 46 H THR 46 11.987 15.630 -1.685 379 HA THR 46 HA THR 46 12.668 17.638 -3.644 380 HB THR 46 HB THR 46 13.084 15.659 -5.122 381 HG1 THR 46 1HG THR 46 12.427 14.184 -2.764 382 HG21 THR 46 3HG2 THR 46 14.355 15.502 -2.380 383 HG22 THR 46 1HG2 THR 46 14.884 16.550 -3.695 384 HG23 THR 46 2HG2 THR 46 15.013 14.799 -3.856 385 H GLY 47 H GLY 47 10.024 15.478 -2.922 386 HA2 GLY 47 2HA GLY 47 7.833 15.773 -3.515 387 HA3 GLY 47 1HA GLY 47 8.351 17.010 -4.651 388 H LYS 48 H LYS 48 9.978 14.003 -4.855 389 HA LYS 48 HA LYS 48 8.527 13.498 -7.348 390 HB2 LYS 48 2HB LYS 48 10.430 12.117 -8.019 391 HB3 LYS 48 1HB LYS 48 10.931 13.738 -7.567 392 HG2 LYS 48 2HG LYS 48 11.725 12.905 -5.414 393 HG3 LYS 48 1HG LYS 48 11.184 11.278 -5.833 394 HD2 LYS 48 2HD LYS 48 13.560 11.436 -6.239 395 HD3 LYS 48 1HD LYS 48 12.719 11.327 -7.785 396 HE2 LYS 48 2HE LYS 48 12.845 13.818 -7.948 397 HE3 LYS 48 1HE LYS 48 13.845 13.805 -6.498 398 HZ1 LYS 48 3HZ LYS 48 14.490 12.483 -9.073 399 HZ2 LYS 48 1HZ LYS 48 15.448 12.442 -7.687 400 HZ3 LYS 48 2HZ LYS 48 15.185 13.899 -8.477 401 H TYR 49 H TYR 49 8.130 11.224 -7.940 402 HA TYR 49 HA TYR 49 7.038 9.812 -5.657 403 HB2 TYR 49 2HB TYR 49 6.688 9.477 -8.631 404 HB3 TYR 49 1HB TYR 49 6.130 8.274 -7.483 405 HD1 TYR 49 1HD TYR 49 4.435 8.952 -5.759 406 HD2 TYR 49 2HD TYR 49 5.386 11.390 -9.110 407 HE1 TYR 49 1HE TYR 49 2.313 10.149 -5.475 408 HE2 TYR 49 2HE TYR 49 3.261 12.597 -8.830 409 HH TYR 49 HH TYR 49 1.041 12.151 -7.836 410 H PHE 50 H PHE 50 7.837 7.986 -4.857 411 HA PHE 50 HA PHE 50 9.770 6.542 -6.499 412 HB2 PHE 50 2HB PHE 50 11.335 6.273 -4.661 413 HB3 PHE 50 1HB PHE 50 11.064 7.988 -4.928 414 HD1 PHE 50 1HD PHE 50 9.509 9.215 -3.298 415 HD2 PHE 50 2HD PHE 50 10.990 5.292 -2.594 416 HE1 PHE 50 1HE PHE 50 8.999 9.450 -0.899 417 HE2 PHE 50 2HE PHE 50 10.477 5.522 -0.200 418 HZ PHE 50 HZ PHE 50 9.484 7.584 0.645 419 H ARG 51 H ARG 51 9.595 4.306 -6.307 420 HA ARG 51 HA ARG 51 7.554 3.403 -4.487 421 HB2 ARG 51 2HB ARG 51 7.564 1.363 -5.873 422 HB3 ARG 51 1HB ARG 51 7.075 2.790 -6.763 423 HG2 ARG 51 2HG ARG 51 9.405 2.837 -7.720 424 HG3 ARG 51 1HG ARG 51 9.679 1.276 -6.931 425 HD2 ARG 51 2HD ARG 51 7.778 0.335 -8.145 426 HD3 ARG 51 1HD ARG 51 7.506 1.878 -8.945 427 HE ARG 51 HE ARG 51 9.794 0.076 -9.347 428 HH11 ARG 51 1HH1 ARG 51 7.959 2.871 -10.470 429 HH12 ARG 51 2HH1 ARG 51 8.369 2.687 -12.106 430 HH21 ARG 51 1HH2 ARG 51 10.355 -0.207 -11.582 431 HH22 ARG 51 2HH2 ARG 51 9.742 0.879 -12.773 432 H HIS 52 H HIS 52 8.031 2.190 -2.829 433 HA HIS 52 HA HIS 52 10.804 1.231 -2.548 434 HB2 HIS 52 2HB HIS 52 10.485 3.538 -1.565 435 HB3 HIS 52 1HB HIS 52 9.307 2.837 -0.472 436 HD1 HIS 52 1HD HIS 52 10.300 1.145 1.382 437 HD2 HIS 52 2HD HIS 52 13.115 3.263 -0.836 438 HE1 HIS 52 1HE HIS 52 12.366 1.071 2.716 439 HE2 HIS 52 2HE HIS 52 14.105 2.305 1.323 440 H LYS 53 H LYS 53 10.940 -0.624 -1.293 441 HA LYS 53 HA LYS 53 8.680 -2.208 -0.895 442 HB2 LYS 53 2HB LYS 53 10.983 -3.153 -1.032 443 HB3 LYS 53 1HB LYS 53 11.359 -2.437 0.533 444 HG2 LYS 53 2HG LYS 53 9.469 -3.762 1.493 445 HG3 LYS 53 1HG LYS 53 9.348 -4.597 -0.048 446 HD2 LYS 53 2HD LYS 53 11.578 -5.506 0.250 447 HD3 LYS 53 1HD LYS 53 11.785 -4.558 1.733 448 HE2 LYS 53 2HE LYS 53 9.844 -5.723 2.726 449 HE3 LYS 53 1HE LYS 53 9.708 -6.700 1.272 450 HZ1 LYS 53 3HZ LYS 53 10.814 -7.803 3.112 451 HZ2 LYS 53 1HZ LYS 53 12.055 -6.677 3.096 452 HZ3 LYS 53 2HZ LYS 53 11.840 -7.698 1.771 453 H LEU 54 H LEU 54 7.490 -2.675 0.874 454 HA LEU 54 HA LEU 54 7.529 -0.745 3.078 455 HB2 LEU 54 2HB LEU 54 5.412 -2.813 2.544 456 HB3 LEU 54 1HB LEU 54 5.291 -1.350 3.440 457 HG LEU 54 HG LEU 54 5.597 -1.343 0.444 458 HD11 LEU 54 1HD1 LEU 54 3.142 -0.933 2.132 459 HD12 LEU 54 2HD1 LEU 54 3.462 -2.323 1.094 460 HD13 LEU 54 3HD1 LEU 54 3.249 -0.721 0.387 461 HD21 LEU 54 3HD2 LEU 54 4.957 0.982 0.671 462 HD22 LEU 54 1HD2 LEU 54 6.439 0.632 1.563 463 HD23 LEU 54 2HD2 LEU 54 4.904 0.796 2.426 464 HA PRO 55 HA PRO 55 8.803 -4.009 5.859 465 HB2 PRO 55 2HB PRO 55 6.386 -3.658 7.557 466 HB3 PRO 55 1HB PRO 55 8.086 -3.444 7.989 467 HG2 PRO 55 2HG PRO 55 6.504 -1.318 7.705 468 HG3 PRO 55 1HG PRO 55 8.175 -1.283 7.104 469 HD2 PRO 55 2HD PRO 55 5.642 -1.820 5.583 470 HD3 PRO 55 1HD PRO 55 6.914 -0.719 5.101 471 H ASP 56 H ASP 56 8.517 -6.162 6.011 472 HA ASP 56 HA ASP 56 6.847 -7.445 4.202 473 HB2 ASP 56 2HB ASP 56 8.321 -8.647 6.558 474 HB3 ASP 56 1HB ASP 56 7.607 -9.572 5.243 475 H ASP 57 H ASP 57 6.292 -6.748 7.563 476 HA ASP 57 HA ASP 57 3.795 -8.279 7.430 477 HB2 ASP 57 2HB ASP 57 5.535 -7.514 9.739 478 HB3 ASP 57 1HB ASP 57 3.826 -7.832 10.004 479 H TYR 58 H TYR 58 4.388 -5.450 6.457 480 HA TYR 58 HA TYR 58 2.696 -3.814 8.097 481 HB2 TYR 58 2HB TYR 58 4.478 -2.741 6.951 482 HB3 TYR 58 1HB TYR 58 3.999 -3.430 5.408 483 HD1 TYR 58 1HD TYR 58 2.910 -1.029 8.046 484 HD2 TYR 58 2HD TYR 58 2.627 -2.201 3.968 485 HE1 TYR 58 1HE TYR 58 1.662 1.033 7.528 486 HE2 TYR 58 2HE TYR 58 1.397 -0.154 3.458 487 HH TYR 58 HH TYR 58 1.125 2.416 5.687 488 HA PRO 59 HA PRO 59 -1.052 -5.262 6.186 489 HB2 PRO 59 2HB PRO 59 -2.745 -3.420 7.289 490 HB3 PRO 59 1HB PRO 59 -2.145 -4.827 8.168 491 HG2 PRO 59 2HG PRO 59 -1.251 -1.991 8.286 492 HG3 PRO 59 1HG PRO 59 -1.375 -3.187 9.588 493 HD2 PRO 59 2HD PRO 59 0.975 -2.487 8.366 494 HD3 PRO 59 1HD PRO 59 0.705 -4.065 9.126 495 H ILE 60 H ILE 60 -1.463 -4.883 4.136 496 HA ILE 60 HA ILE 60 -1.583 -2.119 3.267 497 HB ILE 60 HB ILE 60 -1.037 -2.934 0.941 498 HG12 ILE 60 2HG1 ILE 60 -0.157 -5.446 2.353 499 HG13 ILE 60 1HG1 ILE 60 -1.633 -5.367 1.383 500 HG21 ILE 60 1HG2 ILE 60 1.373 -3.219 1.430 501 HG22 ILE 60 2HG2 ILE 60 0.947 -3.407 3.141 502 HG23 ILE 60 3HG2 ILE 60 0.621 -1.889 2.317 503 HD11 ILE 60 3HD1 ILE 60 0.202 -6.375 0.131 504 HD12 ILE 60 1HD1 ILE 60 1.191 -4.938 0.407 505 HD13 ILE 60 2HD1 ILE 60 -0.259 -4.831 -0.590 Start of MODEL 7 1 H1 MET 1 1HT MET 1 -13.062 3.091 4.537 2 H2 MET 1 2HT MET 1 -12.762 2.828 2.896 3 H3 MET 1 3HT MET 1 -13.737 4.096 3.373 4 HA MET 1 HA MET 1 -11.967 5.263 4.358 5 HB2 MET 1 2HB MET 1 -9.623 4.426 4.130 6 HB3 MET 1 1HB MET 1 -10.601 3.431 5.194 7 HG2 MET 1 2HG MET 1 -10.808 1.755 3.475 8 HG3 MET 1 1HG MET 1 -9.970 2.792 2.324 9 HE1 MET 1 2HE MET 1 -7.912 1.012 6.083 10 HE2 MET 1 3HE MET 1 -9.637 0.884 5.736 11 HE3 MET 1 1HE MET 1 -8.941 2.447 6.147 12 H SER 2 H SER 2 -10.657 6.685 3.116 13 HA SER 2 HA SER 2 -10.259 6.150 0.326 14 HB2 SER 2 2HB SER 2 -12.200 8.317 1.170 15 HB3 SER 2 1HB SER 2 -11.522 8.172 -0.453 16 HG SER 2 HG SER 2 -12.531 5.834 0.432 17 H SER 3 H SER 3 -10.356 8.840 2.692 18 HA SER 3 HA SER 3 -7.787 9.670 1.586 19 HB2 SER 3 2HB SER 3 -9.819 11.265 3.138 20 HB3 SER 3 1HB SER 3 -8.332 11.890 2.406 21 HG SER 3 HG SER 3 -9.138 11.222 0.397 22 H GLY 4 H GLY 4 -6.056 9.899 2.926 23 HA2 GLY 4 2HA GLY 4 -5.129 10.118 5.119 24 HA3 GLY 4 1HA GLY 4 -6.469 9.139 5.725 25 H LYS 5 H LYS 5 -6.716 7.037 4.483 26 HA LYS 5 HA LYS 5 -5.973 4.913 4.056 27 HB2 LYS 5 2HB LYS 5 -3.680 6.428 2.791 28 HB3 LYS 5 1HB LYS 5 -4.009 4.722 2.532 29 HG2 LYS 5 2HG LYS 5 -6.124 5.291 1.451 30 HG3 LYS 5 1HG LYS 5 -5.825 7.001 1.759 31 HD2 LYS 5 2HD LYS 5 -4.027 5.225 0.087 32 HD3 LYS 5 1HD LYS 5 -5.274 6.281 -0.573 33 HE2 LYS 5 2HE LYS 5 -4.132 8.234 0.308 34 HE3 LYS 5 1HE LYS 5 -2.919 7.221 1.087 35 HZ1 LYS 5 3HZ LYS 5 -3.365 7.432 -1.849 36 HZ2 LYS 5 1HZ LYS 5 -2.205 6.469 -1.085 37 HZ3 LYS 5 2HZ LYS 5 -2.097 8.147 -1.033 38 H LYS 6 H LYS 6 -3.363 3.821 4.028 39 HA LYS 6 HA LYS 6 -2.723 4.076 6.882 40 HB2 LYS 6 2HB LYS 6 -2.045 1.854 4.954 41 HB3 LYS 6 1HB LYS 6 -1.645 1.884 6.660 42 HG2 LYS 6 2HG LYS 6 -4.030 1.855 7.211 43 HG3 LYS 6 1HG LYS 6 -4.420 1.789 5.487 44 HD2 LYS 6 2HD LYS 6 -3.155 -0.305 5.309 45 HD3 LYS 6 1HD LYS 6 -2.808 -0.230 7.031 46 HE2 LYS 6 2HE LYS 6 -5.236 -0.280 7.480 47 HE3 LYS 6 1HE LYS 6 -5.521 -0.475 5.751 48 HZ1 LYS 6 3HZ LYS 6 -4.042 -2.333 7.515 49 HZ2 LYS 6 1HZ LYS 6 -4.204 -2.530 5.841 50 HZ3 LYS 6 2HZ LYS 6 -5.564 -2.595 6.824 51 HA PRO 7 HA PRO 7 1.162 5.723 5.242 52 HB2 PRO 7 2HB PRO 7 1.745 7.245 7.419 53 HB3 PRO 7 1HB PRO 7 0.641 7.761 6.141 54 HG2 PRO 7 2HG PRO 7 0.024 7.000 8.890 55 HG3 PRO 7 1HG PRO 7 -0.962 7.844 7.688 56 HD2 PRO 7 2HD PRO 7 -1.069 5.053 8.463 57 HD3 PRO 7 1HD PRO 7 -2.138 5.983 7.387 58 H VAL 8 H VAL 8 3.388 5.455 5.822 59 HA VAL 8 HA VAL 8 3.931 3.750 8.130 60 HB VAL 8 HB VAL 8 3.553 2.316 6.051 61 HG11 VAL 8 1HG1 VAL 8 4.406 3.739 4.370 62 HG12 VAL 8 2HG1 VAL 8 5.261 2.196 4.356 63 HG13 VAL 8 3HG1 VAL 8 6.030 3.625 5.046 64 HG21 VAL 8 3HG2 VAL 8 4.857 1.438 7.913 65 HG22 VAL 8 1HG2 VAL 8 6.305 2.208 7.265 66 HG23 VAL 8 2HG2 VAL 8 5.529 0.892 6.376 67 H LYS 9 H LYS 9 6.180 3.860 8.805 68 HA LYS 9 HA LYS 9 7.561 6.240 8.086 69 HB2 LYS 9 2HB LYS 9 8.423 3.809 9.668 70 HB3 LYS 9 1HB LYS 9 9.380 5.264 9.476 71 HG2 LYS 9 2HG LYS 9 7.607 6.543 10.603 72 HG3 LYS 9 1HG LYS 9 6.721 5.034 10.858 73 HD2 LYS 9 2HD LYS 9 8.584 4.157 12.164 74 HD3 LYS 9 1HD LYS 9 9.500 5.634 11.860 75 HE2 LYS 9 2HE LYS 9 7.745 6.926 13.016 76 HE3 LYS 9 1HE LYS 9 6.897 5.418 13.348 77 HZ1 LYS 9 3HZ LYS 9 8.194 6.163 15.220 78 HZ2 LYS 9 1HZ LYS 9 9.606 6.122 14.306 79 HZ3 LYS 9 2HZ LYS 9 8.800 4.686 14.664 80 H VAL 10 H VAL 10 8.637 6.412 6.269 81 HA VAL 10 HA VAL 10 9.962 4.057 5.215 82 HB VAL 10 HB VAL 10 7.873 4.316 4.033 83 HG11 VAL 10 1HG1 VAL 10 8.801 7.090 3.298 84 HG12 VAL 10 2HG1 VAL 10 7.433 6.673 4.331 85 HG13 VAL 10 3HG1 VAL 10 7.392 6.277 2.612 86 HG21 VAL 10 3HG2 VAL 10 10.210 5.111 2.311 87 HG22 VAL 10 1HG2 VAL 10 8.671 4.458 1.735 88 HG23 VAL 10 2HG2 VAL 10 9.713 3.472 2.761 89 H LYS 11 H LYS 11 11.893 4.441 4.367 90 HA LYS 11 HA LYS 11 12.927 7.106 4.777 91 HB2 LYS 11 2HB LYS 11 14.426 4.566 4.131 92 HB3 LYS 11 1HB LYS 11 15.158 6.136 4.415 93 HG2 LYS 11 2HG LYS 11 14.168 6.123 6.695 94 HG3 LYS 11 1HG LYS 11 13.619 4.474 6.401 95 HD2 LYS 11 2HD LYS 11 15.676 4.380 7.634 96 HD3 LYS 11 1HD LYS 11 15.984 3.837 5.982 97 HE2 LYS 11 2HE LYS 11 16.940 5.984 5.404 98 HE3 LYS 11 1HE LYS 11 16.525 6.634 6.987 99 HZ1 LYS 11 3HZ LYS 11 18.851 6.010 6.862 100 HZ2 LYS 11 1HZ LYS 11 18.441 4.426 6.474 101 HZ3 LYS 11 2HZ LYS 11 18.063 5.078 7.987 102 H THR 12 H THR 12 13.052 8.388 3.339 103 HA THR 12 HA THR 12 12.269 7.907 0.665 104 HB THR 12 HB THR 12 12.852 10.295 0.348 105 HG1 THR 12 1HG THR 12 13.654 10.090 3.080 106 HG21 THR 12 3HG2 THR 12 11.339 9.700 2.908 107 HG22 THR 12 1HG2 THR 12 10.653 9.692 1.285 108 HG23 THR 12 2HG2 THR 12 11.233 11.201 1.989 109 HA PRO 13 HA PRO 13 16.192 7.055 -1.274 110 HB2 PRO 13 2HB PRO 13 15.640 9.078 -3.363 111 HB3 PRO 13 1HB PRO 13 15.831 7.325 -3.510 112 HG2 PRO 13 2HG PRO 13 13.431 8.456 -3.783 113 HG3 PRO 13 1HG PRO 13 13.634 6.890 -2.973 114 HD2 PRO 13 2HD PRO 13 13.255 9.608 -1.780 115 HD3 PRO 13 1HD PRO 13 12.502 8.062 -1.351 116 H ALA 14 H ALA 14 15.328 10.285 -0.538 117 HA ALA 14 HA ALA 14 17.883 11.480 -0.976 118 HB1 ALA 14 1HB ALA 14 15.836 12.828 -0.939 119 HB2 ALA 14 2HB ALA 14 16.990 13.391 0.274 120 HB3 ALA 14 3HB ALA 14 15.599 12.419 0.758 121 H GLY 15 H GLY 15 16.438 9.616 1.587 122 HA2 GLY 15 2HA GLY 15 18.088 8.472 2.962 123 HA3 GLY 15 1HA GLY 15 18.919 10.004 3.120 124 H LYS 16 H LYS 16 15.932 11.057 3.440 125 HA LYS 16 HA LYS 16 16.148 10.790 6.322 126 HB2 LYS 16 2HB LYS 16 14.485 12.581 6.570 127 HB3 LYS 16 1HB LYS 16 15.787 13.087 5.513 128 HG2 LYS 16 2HG LYS 16 13.305 11.979 4.299 129 HG3 LYS 16 1HG LYS 16 13.268 13.610 4.957 130 HD2 LYS 16 2HD LYS 16 15.006 14.314 3.481 131 HD3 LYS 16 1HD LYS 16 15.308 12.662 2.944 132 HE2 LYS 16 2HE LYS 16 14.010 13.958 1.301 133 HE3 LYS 16 1HE LYS 16 13.125 12.567 1.911 134 HZ1 LYS 16 3HZ LYS 16 11.683 14.408 1.811 135 HZ2 LYS 16 1HZ LYS 16 12.749 15.404 2.701 136 HZ3 LYS 16 2HZ LYS 16 11.957 14.098 3.424 137 H GLU 17 H GLU 17 14.553 10.116 7.676 138 HA GLU 17 HA GLU 17 12.766 8.105 6.574 139 HB2 GLU 17 2HB GLU 17 14.289 7.640 8.494 140 HB3 GLU 17 1HB GLU 17 13.436 8.861 9.420 141 HG2 GLU 17 2HG GLU 17 11.369 7.515 9.186 142 HG3 GLU 17 1HG GLU 17 12.332 6.262 8.398 143 H ALA 18 H ALA 18 10.663 8.639 6.244 144 HA ALA 18 HA ALA 18 9.495 10.736 7.905 145 HB1 ALA 18 1HB ALA 18 9.271 10.587 4.899 146 HB2 ALA 18 2HB ALA 18 10.183 11.795 5.806 147 HB3 ALA 18 3HB ALA 18 8.425 11.732 5.937 148 H GLU 19 H GLU 19 7.170 10.631 7.942 149 HA GLU 19 HA GLU 19 6.177 7.936 7.490 150 HB2 GLU 19 2HB GLU 19 5.047 10.288 9.015 151 HB3 GLU 19 1HB GLU 19 4.202 8.761 8.802 152 HG2 GLU 19 2HG GLU 19 5.863 7.588 10.031 153 HG3 GLU 19 1HG GLU 19 6.893 9.017 10.117 154 H LEU 20 H LEU 20 5.482 7.662 5.538 155 HA LEU 20 HA LEU 20 3.870 9.775 4.315 156 HB2 LEU 20 2HB LEU 20 5.991 8.075 3.011 157 HB3 LEU 20 1HB LEU 20 4.832 9.033 2.105 158 HG LEU 20 HG LEU 20 6.886 10.150 4.027 159 HD11 LEU 20 1HD1 LEU 20 6.823 10.123 1.012 160 HD12 LEU 20 2HD1 LEU 20 7.968 9.255 2.040 161 HD13 LEU 20 3HD1 LEU 20 7.962 11.024 2.007 162 HD21 LEU 20 3HD2 LEU 20 5.028 11.510 2.097 163 HD22 LEU 20 1HD2 LEU 20 6.257 12.298 3.084 164 HD23 LEU 20 2HD2 LEU 20 4.871 11.527 3.862 165 H VAL 21 H VAL 21 2.305 9.035 2.839 166 HA VAL 21 HA VAL 21 1.470 6.325 3.441 167 HB VAL 21 HB VAL 21 -0.006 8.149 4.219 168 HG11 VAL 21 1HG1 VAL 21 -1.337 9.469 2.720 169 HG12 VAL 21 2HG1 VAL 21 -0.488 8.780 1.335 170 HG13 VAL 21 3HG1 VAL 21 0.386 9.789 2.487 171 HG21 VAL 21 3HG2 VAL 21 -2.084 7.289 3.369 172 HG22 VAL 21 1HG2 VAL 21 -0.966 5.990 3.778 173 HG23 VAL 21 2HG2 VAL 21 -1.218 6.429 2.084 174 HA PRO 22 HA PRO 22 2.384 5.474 -0.780 175 HB2 PRO 22 2HB PRO 22 1.147 3.038 -0.936 176 HB3 PRO 22 1HB PRO 22 2.745 3.284 -0.229 177 HG2 PRO 22 2HG PRO 22 0.107 2.959 1.118 178 HG3 PRO 22 1HG PRO 22 1.701 2.358 1.599 179 HD2 PRO 22 2HD PRO 22 0.519 4.532 2.716 180 HD3 PRO 22 1HD PRO 22 2.278 4.328 2.611 181 H GLU 23 H GLU 23 1.428 5.920 -2.606 182 HA GLU 23 HA GLU 23 -1.316 6.687 -2.716 183 HB2 GLU 23 2HB GLU 23 0.864 6.471 -4.774 184 HB3 GLU 23 1HB GLU 23 -0.707 7.126 -5.156 185 HG2 GLU 23 2HG GLU 23 1.286 8.221 -3.176 186 HG3 GLU 23 1HG GLU 23 0.850 8.920 -4.733 187 H LYS 24 H LYS 24 0.650 4.126 -4.020 188 HA LYS 24 HA LYS 24 -1.703 2.447 -4.300 189 HB2 LYS 24 2HB LYS 24 -0.676 1.530 -6.440 190 HB3 LYS 24 1HB LYS 24 -1.364 3.144 -6.570 191 HG2 LYS 24 2HG LYS 24 0.695 4.147 -6.758 192 HG3 LYS 24 1HG LYS 24 1.522 2.804 -5.974 193 HD2 LYS 24 2HD LYS 24 2.053 2.866 -8.356 194 HD3 LYS 24 1HD LYS 24 1.132 1.420 -7.967 195 HE2 LYS 24 2HE LYS 24 -0.911 2.595 -8.781 196 HE3 LYS 24 1HE LYS 24 0.124 3.934 -9.283 197 HZ1 LYS 24 3HZ LYS 24 1.343 2.358 -10.709 198 HZ2 LYS 24 1HZ LYS 24 -0.295 2.437 -11.129 199 HZ3 LYS 24 2HZ LYS 24 0.297 1.140 -10.245 200 H VAL 25 H VAL 25 -1.253 0.249 -3.923 201 HA VAL 25 HA VAL 25 1.481 -0.399 -3.100 202 HB VAL 25 HB VAL 25 0.552 -1.808 -1.250 203 HG11 VAL 25 1HG1 VAL 25 1.427 0.402 -0.739 204 HG12 VAL 25 2HG1 VAL 25 0.064 0.003 0.308 205 HG13 VAL 25 3HG1 VAL 25 -0.160 1.106 -1.049 206 HG21 VAL 25 3HG2 VAL 25 -1.759 -1.371 -0.462 207 HG22 VAL 25 1HG2 VAL 25 -1.712 -2.139 -2.054 208 HG23 VAL 25 2HG2 VAL 25 -2.039 -0.410 -1.911 209 H TRP 26 H TRP 26 2.132 -2.497 -3.562 210 HA TRP 26 HA TRP 26 0.220 -4.390 -4.540 211 HB2 TRP 26 2HB TRP 26 1.356 -4.740 -6.720 212 HB3 TRP 26 1HB TRP 26 0.666 -3.132 -6.601 213 HD1 TRP 26 HD TRP 26 3.856 -4.938 -7.297 214 HE1 TRP 26 1HE TRP 26 5.755 -3.272 -7.738 215 HE3 TRP 26 3HE TRP 26 1.562 -0.653 -5.732 216 HZ2 TRP 26 2HZ TRP 26 6.230 -0.486 -7.449 217 HZ3 TRP 26 3HZ TRP 26 2.816 1.450 -5.835 218 HH2 TRP 26 HH TRP 26 5.061 1.550 -6.662 219 H ALA 27 H ALA 27 1.174 -6.521 -4.791 220 HA ALA 27 HA ALA 27 3.657 -6.764 -3.238 221 HB1 ALA 27 1HB ALA 27 1.704 -7.458 -1.930 222 HB2 ALA 27 2HB ALA 27 2.783 -8.816 -2.261 223 HB3 ALA 27 3HB ALA 27 1.291 -8.632 -3.181 224 H LEU 28 H LEU 28 5.200 -7.973 -4.019 225 HA LEU 28 HA LEU 28 4.772 -9.386 -6.554 226 HB2 LEU 28 2HB LEU 28 7.326 -8.433 -5.239 227 HB3 LEU 28 1HB LEU 28 7.279 -9.393 -6.692 228 HG LEU 28 HG LEU 28 6.070 -7.473 -7.801 229 HD11 LEU 28 1HD1 LEU 28 6.263 -5.269 -6.791 230 HD12 LEU 28 2HD1 LEU 28 6.904 -5.997 -5.316 231 HD13 LEU 28 3HD1 LEU 28 5.250 -6.340 -5.821 232 HD21 LEU 28 3HD2 LEU 28 8.422 -7.897 -8.157 233 HD22 LEU 28 1HD2 LEU 28 8.829 -6.965 -6.716 234 HD23 LEU 28 2HD2 LEU 28 8.107 -6.159 -8.107 235 H ALA 29 H ALA 29 4.682 -11.524 -6.431 236 HA ALA 29 HA ALA 29 5.588 -12.753 -3.957 237 HB1 ALA 29 1HB ALA 29 3.270 -13.168 -4.607 238 HB2 ALA 29 2HB ALA 29 4.218 -14.653 -4.569 239 HB3 ALA 29 3HB ALA 29 3.824 -13.901 -6.115 240 HA PRO 30 HA PRO 30 8.840 -14.656 -6.457 241 HB2 PRO 30 2HB PRO 30 10.156 -15.545 -4.101 242 HB3 PRO 30 1HB PRO 30 10.549 -14.120 -5.064 243 HG2 PRO 30 2HG PRO 30 9.541 -14.127 -2.436 244 HG3 PRO 30 1HG PRO 30 9.642 -12.730 -3.517 245 HD2 PRO 30 2HD PRO 30 7.306 -14.449 -2.852 246 HD3 PRO 30 1HD PRO 30 7.393 -12.725 -3.290 247 H LYS 31 H LYS 31 6.746 -16.003 -6.637 248 HA LYS 31 HA LYS 31 5.599 -17.925 -6.689 249 HB2 LYS 31 2HB LYS 31 8.258 -19.155 -5.915 250 HB3 LYS 31 1HB LYS 31 6.851 -20.097 -6.380 251 HG2 LYS 31 2HG LYS 31 6.867 -18.990 -8.591 252 HG3 LYS 31 1HG LYS 31 8.318 -18.113 -8.117 253 HD2 LYS 31 2HD LYS 31 8.082 -21.121 -8.270 254 HD3 LYS 31 1HD LYS 31 8.802 -20.106 -9.517 255 HE2 LYS 31 2HE LYS 31 10.489 -19.340 -7.880 256 HE3 LYS 31 1HE LYS 31 9.750 -20.390 -6.673 257 HZ1 LYS 31 3HZ LYS 31 11.027 -21.318 -9.192 258 HZ2 LYS 31 1HZ LYS 31 10.302 -22.293 -8.023 259 HZ3 LYS 31 2HZ LYS 31 11.671 -21.424 -7.643 260 H GLY 32 H GLY 32 4.882 -16.593 -4.731 261 HA2 GLY 32 2HA GLY 32 3.476 -17.080 -2.913 262 HA3 GLY 32 1HA GLY 32 4.428 -18.526 -2.599 263 H ARG 33 H ARG 33 5.581 -18.459 -0.871 264 HA ARG 33 HA ARG 33 6.877 -17.874 0.831 265 HB2 ARG 33 2HB ARG 33 8.344 -16.781 -0.885 266 HB3 ARG 33 1HB ARG 33 7.457 -15.292 -0.643 267 HG2 ARG 33 2HG ARG 33 8.171 -15.198 1.681 268 HG3 ARG 33 1HG ARG 33 9.045 -16.716 1.479 269 HD2 ARG 33 2HD ARG 33 9.605 -14.130 0.023 270 HD3 ARG 33 1HD ARG 33 10.560 -14.796 1.343 271 HE ARG 33 HE ARG 33 10.291 -16.613 -0.840 272 HH11 ARG 33 1HH1 ARG 33 12.240 -13.927 0.386 273 HH12 ARG 33 2HH1 ARG 33 13.558 -14.239 -0.644 274 HH21 ARG 33 1HH2 ARG 33 12.061 -17.041 -2.230 275 HH22 ARG 33 2HH2 ARG 33 13.445 -16.060 -2.185 276 H LYS 34 H LYS 34 5.423 -14.843 -0.169 277 HA LYS 34 HA LYS 34 3.437 -14.661 1.733 278 HB2 LYS 34 2HB LYS 34 5.385 -14.535 3.351 279 HB3 LYS 34 1HB LYS 34 5.886 -13.058 2.546 280 HG2 LYS 34 2HG LYS 34 3.873 -11.943 3.225 281 HG3 LYS 34 1HG LYS 34 3.229 -13.445 3.895 282 HD2 LYS 34 2HD LYS 34 5.146 -13.499 5.462 283 HD3 LYS 34 1HD LYS 34 5.646 -11.924 4.856 284 HE2 LYS 34 2HE LYS 34 3.523 -10.964 5.578 285 HE3 LYS 34 1HE LYS 34 3.000 -12.550 6.145 286 HZ1 LYS 34 3HZ LYS 34 4.808 -12.556 7.710 287 HZ2 LYS 34 1HZ LYS 34 3.832 -11.204 7.947 288 HZ3 LYS 34 2HZ LYS 34 5.349 -11.063 7.177 289 H GLY 35 H GLY 35 6.007 -12.806 0.241 290 HA2 GLY 35 2HA GLY 35 5.325 -11.715 -1.891 291 HA3 GLY 35 1HA GLY 35 3.945 -11.106 -0.986 292 H VAL 36 H VAL 36 6.527 -10.036 -2.344 293 HA VAL 36 HA VAL 36 7.598 -8.407 -0.195 294 HB VAL 36 HB VAL 36 8.148 -8.318 -3.192 295 HG11 VAL 36 1HG1 VAL 36 8.699 -6.222 -2.091 296 HG12 VAL 36 2HG1 VAL 36 10.170 -7.056 -2.591 297 HG13 VAL 36 3HG1 VAL 36 9.670 -7.084 -0.898 298 HG21 VAL 36 3HG2 VAL 36 8.830 -10.473 -2.273 299 HG22 VAL 36 1HG2 VAL 36 9.750 -9.654 -1.010 300 HG23 VAL 36 2HG2 VAL 36 10.244 -9.508 -2.694 301 H LYS 37 H LYS 37 6.658 -6.547 0.284 302 HA LYS 37 HA LYS 37 4.419 -5.719 -1.424 303 HB2 LYS 37 2HB LYS 37 5.055 -5.235 1.474 304 HB3 LYS 37 1HB LYS 37 3.712 -4.449 0.650 305 HG2 LYS 37 2HG LYS 37 2.668 -6.582 0.227 306 HG3 LYS 37 1HG LYS 37 4.082 -7.437 0.831 307 HD2 LYS 37 2HD LYS 37 3.673 -6.601 3.067 308 HD3 LYS 37 1HD LYS 37 2.320 -5.629 2.482 309 HE2 LYS 37 2HE LYS 37 1.081 -7.611 1.891 310 HE3 LYS 37 1HE LYS 37 2.463 -8.635 2.266 311 HZ1 LYS 37 3HZ LYS 37 1.133 -6.926 4.292 312 HZ2 LYS 37 1HZ LYS 37 2.258 -8.156 4.539 313 HZ3 LYS 37 2HZ LYS 37 0.700 -8.539 4.023 314 H ILE 38 H ILE 38 4.564 -3.904 -2.570 315 HA ILE 38 HA ILE 38 6.578 -1.961 -1.720 316 HB ILE 38 HB ILE 38 5.970 -2.708 -4.610 317 HG12 ILE 38 2HG1 ILE 38 8.454 -3.195 -2.947 318 HG13 ILE 38 1HG1 ILE 38 7.318 -4.426 -3.471 319 HG21 ILE 38 1HG2 ILE 38 7.820 -1.185 -5.181 320 HG22 ILE 38 2HG2 ILE 38 7.955 -0.735 -3.479 321 HG23 ILE 38 3HG2 ILE 38 6.490 -0.344 -4.379 322 HD11 ILE 38 3HD1 ILE 38 9.065 -2.755 -5.274 323 HD12 ILE 38 1HD1 ILE 38 7.929 -3.992 -5.804 324 HD13 ILE 38 2HD1 ILE 38 9.334 -4.442 -4.837 325 H GLY 39 H GLY 39 5.995 0.090 -1.695 326 HA2 GLY 39 2HA GLY 39 3.356 0.731 -2.799 327 HA3 GLY 39 1HA GLY 39 3.891 1.343 -1.236 328 H LEU 40 H LEU 40 3.138 2.726 -3.677 329 HA LEU 40 HA LEU 40 5.651 4.070 -4.362 330 HB2 LEU 40 2HB LEU 40 4.328 3.419 -6.247 331 HB3 LEU 40 1HB LEU 40 2.899 4.174 -5.611 332 HG LEU 40 HG LEU 40 4.094 6.390 -5.882 333 HD11 LEU 40 1HD1 LEU 40 6.355 5.630 -5.916 334 HD12 LEU 40 2HD1 LEU 40 5.974 6.408 -7.462 335 HD13 LEU 40 3HD1 LEU 40 6.037 4.650 -7.347 336 HD21 LEU 40 3HD2 LEU 40 2.433 5.632 -7.484 337 HD22 LEU 40 1HD2 LEU 40 3.683 4.732 -8.351 338 HD23 LEU 40 2HD2 LEU 40 3.757 6.495 -8.281 339 H PHE 41 H PHE 41 6.135 5.950 -3.523 340 HA PHE 41 HA PHE 41 4.124 7.376 -1.892 341 HB2 PHE 41 2HB PHE 41 7.096 7.096 -1.500 342 HB3 PHE 41 1HB PHE 41 6.032 8.059 -0.512 343 HD1 PHE 41 2HD PHE 41 7.162 4.691 -1.363 344 HD2 PHE 41 1HD PHE 41 4.577 6.983 1.110 345 HE1 PHE 41 2HE PHE 41 6.848 2.750 0.102 346 HE2 PHE 41 1HE PHE 41 4.269 5.054 2.579 347 HZ PHE 41 HZ PHE 41 5.400 2.928 2.076 348 H LYS 42 H LYS 42 4.723 9.669 -1.626 349 HA LYS 42 HA LYS 42 6.478 10.741 -3.692 350 HB2 LYS 42 2HB LYS 42 4.204 11.175 -4.459 351 HB3 LYS 42 1HB LYS 42 3.768 11.821 -2.882 352 HG2 LYS 42 2HG LYS 42 5.399 13.650 -3.213 353 HG3 LYS 42 1HG LYS 42 5.754 13.008 -4.807 354 HD2 LYS 42 2HD LYS 42 3.564 13.471 -5.588 355 HD3 LYS 42 1HD LYS 42 2.988 13.832 -3.959 356 HE2 LYS 42 2HE LYS 42 5.122 15.402 -5.396 357 HE3 LYS 42 1HE LYS 42 3.425 15.861 -5.367 358 HZ1 LYS 42 3HZ LYS 42 4.747 17.017 -3.674 359 HZ2 LYS 42 1HZ LYS 42 5.121 15.561 -2.923 360 HZ3 LYS 42 2HZ LYS 42 3.540 16.090 -2.974 361 H ASP 43 H ASP 43 8.047 11.852 -2.799 362 HA ASP 43 HA ASP 43 7.920 12.445 0.024 363 HB2 ASP 43 2HB ASP 43 10.049 11.608 -0.827 364 HB3 ASP 43 1HB ASP 43 10.141 12.892 -2.006 365 HA PRO 44 HA PRO 44 6.246 16.444 -0.848 366 HB2 PRO 44 2HB PRO 44 6.245 17.398 1.686 367 HB3 PRO 44 1HB PRO 44 5.087 16.190 1.115 368 HG2 PRO 44 2HG PRO 44 7.595 15.780 2.722 369 HG3 PRO 44 1HG PRO 44 6.000 15.033 2.916 370 HD2 PRO 44 2HD PRO 44 8.096 13.819 1.705 371 HD3 PRO 44 1HD PRO 44 6.404 13.492 1.279 372 H GLU 45 H GLU 45 9.372 15.906 0.373 373 HA GLU 45 HA GLU 45 9.951 18.745 0.577 374 HB2 GLU 45 2HB GLU 45 10.598 17.169 2.346 375 HB3 GLU 45 1HB GLU 45 11.647 16.353 1.207 376 HG2 GLU 45 2HG GLU 45 13.108 18.192 1.101 377 HG3 GLU 45 1HG GLU 45 11.961 19.230 1.960 378 H THR 46 H THR 46 11.213 15.907 -1.157 379 HA THR 46 HA THR 46 12.651 17.615 -2.973 380 HB THR 46 HB THR 46 13.113 15.450 -4.221 381 HG1 THR 46 1HG THR 46 11.797 14.326 -1.947 382 HG21 THR 46 3HG2 THR 46 13.798 15.503 -1.274 383 HG22 THR 46 1HG2 THR 46 14.688 16.320 -2.557 384 HG23 THR 46 2HG2 THR 46 14.640 14.559 -2.500 385 H GLY 47 H GLY 47 9.667 15.784 -2.910 386 HA2 GLY 47 2HA GLY 47 7.742 16.431 -3.960 387 HA3 GLY 47 1HA GLY 47 8.707 17.450 -5.010 388 H LYS 48 H LYS 48 9.586 14.111 -4.587 389 HA LYS 48 HA LYS 48 8.341 13.586 -7.183 390 HB2 LYS 48 2HB LYS 48 10.249 12.126 -7.805 391 HB3 LYS 48 1HB LYS 48 10.667 13.820 -7.696 392 HG2 LYS 48 2HG LYS 48 11.821 13.478 -5.634 393 HG3 LYS 48 1HG LYS 48 11.190 11.837 -5.494 394 HD2 LYS 48 2HD LYS 48 13.522 11.819 -6.250 395 HD3 LYS 48 1HD LYS 48 12.447 11.172 -7.481 396 HE2 LYS 48 2HE LYS 48 14.113 12.606 -8.501 397 HE3 LYS 48 1HE LYS 48 12.522 13.336 -8.664 398 HZ1 LYS 48 3HZ LYS 48 14.562 14.089 -6.639 399 HZ2 LYS 48 1HZ LYS 48 13.062 14.847 -6.854 400 HZ3 LYS 48 2HZ LYS 48 14.227 14.925 -8.054 401 H TYR 49 H TYR 49 8.105 11.306 -7.696 402 HA TYR 49 HA TYR 49 7.030 9.898 -5.393 403 HB2 TYR 49 2HB TYR 49 6.763 9.476 -8.369 404 HB3 TYR 49 1HB TYR 49 6.154 8.348 -7.172 405 HD1 TYR 49 1HD TYR 49 5.837 11.859 -8.357 406 HD2 TYR 49 2HD TYR 49 4.053 8.641 -6.227 407 HE1 TYR 49 1HE TYR 49 3.714 13.086 -8.284 408 HE2 TYR 49 2HE TYR 49 1.931 9.867 -6.140 409 HH TYR 49 HH TYR 49 1.098 12.108 -6.291 410 H PHE 50 H PHE 50 7.714 7.909 -4.759 411 HA PHE 50 HA PHE 50 9.777 6.575 -6.299 412 HB2 PHE 50 2HB PHE 50 11.310 6.369 -4.420 413 HB3 PHE 50 1HB PHE 50 11.018 8.070 -4.738 414 HD1 PHE 50 2HD PHE 50 9.496 9.359 -3.158 415 HD2 PHE 50 1HD PHE 50 10.838 5.399 -2.327 416 HE1 PHE 50 2HE PHE 50 8.924 9.658 -0.770 417 HE2 PHE 50 1HE PHE 50 10.274 5.699 0.043 418 HZ PHE 50 HZ PHE 50 9.323 7.818 0.827 419 H ARG 51 H ARG 51 9.564 4.361 -6.110 420 HA ARG 51 HA ARG 51 7.560 3.436 -4.265 421 HB2 ARG 51 2HB ARG 51 7.722 1.340 -5.463 422 HB3 ARG 51 1HB ARG 51 7.421 2.652 -6.591 423 HG2 ARG 51 2HG ARG 51 9.767 2.602 -7.264 424 HG3 ARG 51 1HG ARG 51 10.080 1.356 -6.062 425 HD2 ARG 51 2HD ARG 51 8.543 -0.155 -7.213 426 HD3 ARG 51 1HD ARG 51 8.215 1.091 -8.418 427 HE ARG 51 HE ARG 51 10.887 0.834 -8.504 428 HH11 ARG 51 1HH1 ARG 51 8.291 -1.579 -8.755 429 HH12 ARG 51 2HH1 ARG 51 9.157 -2.592 -9.799 430 HH21 ARG 51 1HH2 ARG 51 12.039 -0.555 -9.946 431 HH22 ARG 51 2HH2 ARG 51 11.350 -2.001 -10.506 432 H HIS 52 H HIS 52 8.001 2.028 -2.644 433 HA HIS 52 HA HIS 52 10.741 1.126 -2.216 434 HB2 HIS 52 2HB HIS 52 10.509 3.390 -1.107 435 HB3 HIS 52 1HB HIS 52 9.217 2.715 -0.123 436 HD1 HIS 52 1HD HIS 52 9.914 1.267 1.914 437 HD2 HIS 52 2HD HIS 52 13.096 2.428 -0.504 438 HE1 HIS 52 1HE HIS 52 11.935 0.672 3.170 439 HE2 HIS 52 2HE HIS 52 13.804 1.716 1.873 440 H LYS 53 H LYS 53 10.747 -0.751 -0.804 441 HA LYS 53 HA LYS 53 8.148 -1.875 -0.779 442 HB2 LYS 53 2HB LYS 53 9.065 -4.030 -0.177 443 HB3 LYS 53 1HB LYS 53 10.024 -3.348 -1.457 444 HG2 LYS 53 2HG LYS 53 11.492 -4.472 0.017 445 HG3 LYS 53 1HG LYS 53 11.734 -2.752 0.309 446 HD2 LYS 53 2HD LYS 53 10.422 -2.844 2.293 447 HD3 LYS 53 1HD LYS 53 9.931 -4.503 1.960 448 HE2 LYS 53 2HE LYS 53 12.058 -5.304 2.284 449 HE3 LYS 53 1HE LYS 53 12.793 -3.689 2.372 450 HZ1 LYS 53 3HZ LYS 53 10.937 -4.936 4.367 451 HZ2 LYS 53 1HZ LYS 53 11.466 -3.347 4.436 452 HZ3 LYS 53 2HZ LYS 53 12.562 -4.596 4.587 453 H LEU 54 H LEU 54 7.042 -2.677 0.865 454 HA LEU 54 HA LEU 54 7.213 -1.019 3.268 455 HB2 LEU 54 2HB LEU 54 5.003 -2.931 2.661 456 HB3 LEU 54 1HB LEU 54 4.965 -1.436 3.516 457 HG LEU 54 HG LEU 54 5.233 -1.559 0.522 458 HD11 LEU 54 1HD1 LEU 54 2.910 -0.825 0.488 459 HD12 LEU 54 2HD1 LEU 54 2.842 -0.963 2.246 460 HD13 LEU 54 3HD1 LEU 54 3.074 -2.403 1.260 461 HD21 LEU 54 3HD2 LEU 54 4.734 0.805 0.648 462 HD22 LEU 54 1HD2 LEU 54 6.202 0.419 1.546 463 HD23 LEU 54 2HD2 LEU 54 4.687 0.713 2.414 464 HA PRO 55 HA PRO 55 8.179 -4.715 5.664 465 HB2 PRO 55 2HB PRO 55 5.790 -4.328 7.385 466 HB3 PRO 55 1HB PRO 55 7.496 -4.315 7.845 467 HG2 PRO 55 2HG PRO 55 6.100 -2.044 7.809 468 HG3 PRO 55 1HG PRO 55 7.786 -2.083 7.250 469 HD2 PRO 55 2HD PRO 55 5.263 -2.161 5.630 470 HD3 PRO 55 1HD PRO 55 6.681 -1.165 5.325 471 H ASP 56 H ASP 56 7.635 -6.881 5.569 472 HA ASP 56 HA ASP 56 5.650 -7.649 3.741 473 HB2 ASP 56 2HB ASP 56 6.259 -9.938 4.316 474 HB3 ASP 56 1HB ASP 56 7.685 -8.955 4.043 475 H ASP 57 H ASP 57 5.609 -7.202 7.141 476 HA ASP 57 HA ASP 57 3.209 -8.784 7.527 477 HB2 ASP 57 2HB ASP 57 4.971 -8.738 9.248 478 HB3 ASP 57 1HB ASP 57 4.712 -7.014 9.458 479 H TYR 58 H TYR 58 3.892 -5.687 6.508 480 HA TYR 58 HA TYR 58 1.938 -4.122 7.779 481 HB2 TYR 58 2HB TYR 58 3.955 -3.383 6.549 482 HB3 TYR 58 1HB TYR 58 3.159 -3.828 5.050 483 HD1 TYR 58 2HD TYR 58 3.037 -1.567 7.952 484 HD2 TYR 58 1HD TYR 58 1.682 -2.269 3.994 485 HE1 TYR 58 2HE TYR 58 2.179 0.721 7.855 486 HE2 TYR 58 1HE TYR 58 0.824 0.034 3.873 487 HH TYR 58 HH TYR 58 0.175 1.866 5.321 488 HA PRO 59 HA PRO 59 -1.388 -6.057 5.505 489 HB2 PRO 59 2HB PRO 59 -3.395 -4.590 6.805 490 HB3 PRO 59 1HB PRO 59 -2.782 -6.172 7.275 491 HG2 PRO 59 2HG PRO 59 -2.440 -3.704 8.652 492 HG3 PRO 59 1HG PRO 59 -1.733 -5.274 9.065 493 HD2 PRO 59 2HD PRO 59 -0.534 -2.939 7.745 494 HD3 PRO 59 1HD PRO 59 0.236 -4.296 8.599 495 H ILE 60 H ILE 60 -1.447 -5.436 3.487 496 HA ILE 60 HA ILE 60 -2.376 -2.761 2.899 497 HB ILE 60 HB ILE 60 -1.611 -3.177 0.535 498 HG12 ILE 60 2HG1 ILE 60 -0.275 -5.643 1.693 499 HG13 ILE 60 1HG1 ILE 60 -1.666 -5.677 0.612 500 HG21 ILE 60 1HG2 ILE 60 0.781 -2.930 1.018 501 HG22 ILE 60 2HG2 ILE 60 0.479 -3.450 2.677 502 HG23 ILE 60 3HG2 ILE 60 -0.225 -1.945 2.085 503 HD11 ILE 60 3HD1 ILE 60 0.391 -6.157 -0.580 504 HD12 ILE 60 1HD1 ILE 60 1.073 -4.618 -0.047 505 HD13 ILE 60 2HD1 ILE 60 -0.310 -4.637 -1.141 Start of MODEL 8 1 H1 MET 1 1HT MET 1 -3.785 5.590 10.261 2 H2 MET 1 2HT MET 1 -3.966 7.203 10.754 3 H3 MET 1 3HT MET 1 -3.344 6.841 9.232 4 HA MET 1 HA MET 1 -6.062 6.150 10.116 5 HB2 MET 1 2HB MET 1 -5.087 8.352 8.288 6 HB3 MET 1 1HB MET 1 -6.747 7.794 8.315 7 HG2 MET 1 2HG MET 1 -6.890 8.463 10.686 8 HG3 MET 1 1HG MET 1 -5.253 9.099 10.583 9 HE1 MET 1 2HE MET 1 -8.890 10.806 8.273 10 HE2 MET 1 3HE MET 1 -8.971 9.463 9.410 11 HE3 MET 1 1HE MET 1 -8.166 9.252 7.857 12 H SER 2 H SER 2 -7.212 4.956 8.692 13 HA SER 2 HA SER 2 -5.683 3.835 6.476 14 HB2 SER 2 2HB SER 2 -8.109 2.761 7.923 15 HB3 SER 2 1HB SER 2 -7.228 1.954 6.626 16 HG SER 2 HG SER 2 -5.695 2.806 8.757 17 H SER 3 H SER 3 -6.303 4.216 4.459 18 HA SER 3 HA SER 3 -9.087 4.779 3.790 19 HB2 SER 3 2HB SER 3 -6.697 6.429 2.870 20 HB3 SER 3 1HB SER 3 -8.376 6.698 2.396 21 HG SER 3 HG SER 3 -8.313 6.630 5.009 22 H GLY 4 H GLY 4 -7.860 2.423 3.636 23 HA2 GLY 4 2HA GLY 4 -7.348 0.716 2.133 24 HA3 GLY 4 1HA GLY 4 -7.226 1.924 0.842 25 H LYS 5 H LYS 5 -5.561 3.490 1.134 26 HA LYS 5 HA LYS 5 -2.998 2.334 1.764 27 HB2 LYS 5 2HB LYS 5 -2.182 4.567 0.937 28 HB3 LYS 5 1HB LYS 5 -3.085 3.629 -0.244 29 HG2 LYS 5 2HG LYS 5 -5.041 4.991 0.100 30 HG3 LYS 5 1HG LYS 5 -4.241 5.868 1.407 31 HD2 LYS 5 2HD LYS 5 -2.651 6.771 -0.092 32 HD3 LYS 5 1HD LYS 5 -3.246 5.784 -1.427 33 HE2 LYS 5 2HE LYS 5 -5.385 6.920 -1.363 34 HE3 LYS 5 1HE LYS 5 -4.874 7.877 0.022 35 HZ1 LYS 5 3HZ LYS 5 -3.630 8.027 -2.699 36 HZ2 LYS 5 1HZ LYS 5 -3.241 8.957 -1.352 37 HZ3 LYS 5 2HZ LYS 5 -4.752 9.087 -2.075 38 H LYS 6 H LYS 6 -1.600 3.364 3.260 39 HA LYS 6 HA LYS 6 -2.676 5.174 5.188 40 HB2 LYS 6 2HB LYS 6 -2.127 3.417 7.074 41 HB3 LYS 6 1HB LYS 6 -3.691 3.403 6.273 42 HG2 LYS 6 2HG LYS 6 -2.885 1.621 4.790 43 HG3 LYS 6 1HG LYS 6 -1.349 1.625 5.652 44 HD2 LYS 6 2HD LYS 6 -2.404 0.910 7.661 45 HD3 LYS 6 1HD LYS 6 -4.005 1.126 6.955 46 HE2 LYS 6 2HE LYS 6 -1.931 -0.816 5.927 47 HE3 LYS 6 1HE LYS 6 -3.229 -1.246 7.034 48 HZ1 LYS 6 3HZ LYS 6 -4.852 -0.754 5.374 49 HZ2 LYS 6 1HZ LYS 6 -3.711 -1.773 4.689 50 HZ3 LYS 6 2HZ LYS 6 -3.722 -0.131 4.284 51 HA PRO 7 HA PRO 7 1.556 6.370 5.274 52 HB2 PRO 7 2HB PRO 7 1.608 7.472 7.814 53 HB3 PRO 7 1HB PRO 7 1.123 8.311 6.343 54 HG2 PRO 7 2HG PRO 7 -0.559 7.089 8.468 55 HG3 PRO 7 1HG PRO 7 -0.859 8.528 7.482 56 HD2 PRO 7 2HD PRO 7 -2.104 6.173 7.034 57 HD3 PRO 7 1HD PRO 7 -1.716 7.308 5.730 58 H VAL 8 H VAL 8 3.440 5.600 5.808 59 HA VAL 8 HA VAL 8 3.755 3.959 8.180 60 HB VAL 8 HB VAL 8 3.302 2.454 6.186 61 HG11 VAL 8 1HG1 VAL 8 5.857 3.557 5.106 62 HG12 VAL 8 2HG1 VAL 8 4.241 3.745 4.426 63 HG13 VAL 8 3HG1 VAL 8 4.998 2.152 4.480 64 HG21 VAL 8 3HG2 VAL 8 4.568 1.578 8.070 65 HG22 VAL 8 1HG2 VAL 8 6.061 2.212 7.381 66 HG23 VAL 8 2HG2 VAL 8 5.189 0.917 6.557 67 H LYS 9 H LYS 9 5.954 3.951 8.918 68 HA LYS 9 HA LYS 9 7.463 6.307 8.298 69 HB2 LYS 9 2HB LYS 9 7.170 5.155 10.563 70 HB3 LYS 9 1HB LYS 9 8.217 3.890 9.972 71 HG2 LYS 9 2HG LYS 9 9.058 6.769 10.282 72 HG3 LYS 9 1HG LYS 9 9.256 5.548 11.530 73 HD2 LYS 9 2HD LYS 9 10.623 4.240 9.871 74 HD3 LYS 9 1HD LYS 9 10.547 5.648 8.810 75 HE2 LYS 9 2HE LYS 9 12.602 5.747 10.028 76 HE3 LYS 9 1HE LYS 9 11.527 7.005 10.639 77 HZ1 LYS 9 3HZ LYS 9 12.671 5.829 12.422 78 HZ2 LYS 9 1HZ LYS 9 12.006 4.372 11.921 79 HZ3 LYS 9 2HZ LYS 9 11.004 5.561 12.545 80 H VAL 10 H VAL 10 8.590 6.373 6.422 81 HA VAL 10 HA VAL 10 10.030 3.974 5.538 82 HB VAL 10 HB VAL 10 7.860 4.160 4.390 83 HG11 VAL 10 1HG1 VAL 10 7.427 5.962 2.775 84 HG12 VAL 10 2HG1 VAL 10 8.860 6.801 3.361 85 HG13 VAL 10 3HG1 VAL 10 7.493 6.530 4.443 86 HG21 VAL 10 3HG2 VAL 10 10.217 4.667 2.585 87 HG22 VAL 10 1HG2 VAL 10 8.655 4.022 2.075 88 HG23 VAL 10 2HG2 VAL 10 9.659 3.106 3.196 89 H LYS 11 H LYS 11 11.867 4.431 4.224 90 HA LYS 11 HA LYS 11 12.957 7.080 4.627 91 HB2 LYS 11 2HB LYS 11 15.091 6.170 3.845 92 HB3 LYS 11 1HB LYS 11 14.424 5.186 5.125 93 HG2 LYS 11 2HG LYS 11 13.620 3.595 3.351 94 HG3 LYS 11 1HG LYS 11 14.539 4.555 2.194 95 HD2 LYS 11 2HD LYS 11 15.914 2.710 2.879 96 HD3 LYS 11 1HD LYS 11 16.576 4.184 3.588 97 HE2 LYS 11 2HE LYS 11 15.375 3.626 5.720 98 HE3 LYS 11 1HE LYS 11 14.867 2.113 4.977 99 HZ1 LYS 11 3HZ LYS 11 17.222 1.503 4.786 100 HZ2 LYS 11 1HZ LYS 11 16.779 1.819 6.379 101 HZ3 LYS 11 2HZ LYS 11 17.646 2.961 5.535 102 H THR 12 H THR 12 13.318 8.532 3.115 103 HA THR 12 HA THR 12 12.008 8.053 0.547 104 HB THR 12 HB THR 12 11.665 10.434 0.476 105 HG1 THR 12 1HG THR 12 12.668 11.790 1.585 106 HG21 THR 12 3HG2 THR 12 10.424 10.870 2.542 107 HG22 THR 12 1HG2 THR 12 11.190 9.470 3.293 108 HG23 THR 12 2HG2 THR 12 10.107 9.252 1.916 109 HA PRO 13 HA PRO 13 15.805 8.684 -1.738 110 HB2 PRO 13 2HB PRO 13 14.746 10.882 -3.365 111 HB3 PRO 13 1HB PRO 13 15.169 9.237 -3.849 112 HG2 PRO 13 2HG PRO 13 12.610 10.093 -3.734 113 HG3 PRO 13 1HG PRO 13 13.078 8.418 -3.392 114 HD2 PRO 13 2HD PRO 13 12.447 10.638 -1.495 115 HD3 PRO 13 1HD PRO 13 11.964 8.928 -1.444 116 H ALA 14 H ALA 14 14.425 11.278 -0.035 117 HA ALA 14 HA ALA 14 16.476 13.228 -0.476 118 HB1 ALA 14 1HB ALA 14 15.357 14.465 1.334 119 HB2 ALA 14 2HB ALA 14 14.341 13.059 1.655 120 HB3 ALA 14 3HB ALA 14 14.208 13.909 0.118 121 H GLY 15 H GLY 15 16.382 10.361 1.176 122 HA2 GLY 15 2HA GLY 15 18.065 9.369 2.384 123 HA3 GLY 15 1HA GLY 15 18.892 10.926 2.471 124 H LYS 16 H LYS 16 15.591 10.308 3.428 125 HA LYS 16 HA LYS 16 16.332 10.448 6.223 126 HB2 LYS 16 2HB LYS 16 14.679 12.216 6.630 127 HB3 LYS 16 1HB LYS 16 16.001 12.778 5.617 128 HG2 LYS 16 2HG LYS 16 14.542 12.396 3.637 129 HG3 LYS 16 1HG LYS 16 13.219 12.040 4.740 130 HD2 LYS 16 2HD LYS 16 14.765 14.631 4.693 131 HD3 LYS 16 1HD LYS 16 13.196 14.380 3.932 132 HE2 LYS 16 2HE LYS 16 12.176 13.937 6.076 133 HE3 LYS 16 1HE LYS 16 13.745 14.020 6.876 134 HZ1 LYS 16 3HZ LYS 16 13.915 16.306 6.346 135 HZ2 LYS 16 1HZ LYS 16 12.397 16.081 7.054 136 HZ3 LYS 16 2HZ LYS 16 12.573 16.271 5.368 137 H GLU 17 H GLU 17 14.306 10.124 7.543 138 HA GLU 17 HA GLU 17 12.509 8.302 6.132 139 HB2 GLU 17 2HB GLU 17 13.678 8.064 8.904 140 HB3 GLU 17 1HB GLU 17 12.370 7.059 8.294 141 HG2 GLU 17 2HG GLU 17 13.758 6.130 6.631 142 HG3 GLU 17 1HG GLU 17 15.082 7.237 7.007 143 H ALA 18 H ALA 18 10.437 8.677 6.356 144 HA ALA 18 HA ALA 18 9.433 10.321 8.516 145 HB1 ALA 18 1HB ALA 18 8.317 11.882 6.973 146 HB2 ALA 18 2HB ALA 18 9.126 11.108 5.611 147 HB3 ALA 18 3HB ALA 18 10.073 11.979 6.819 148 H GLU 19 H GLU 19 7.029 10.339 8.401 149 HA GLU 19 HA GLU 19 6.123 7.765 7.457 150 HB2 GLU 19 2HB GLU 19 4.714 9.865 9.099 151 HB3 GLU 19 1HB GLU 19 4.038 8.299 8.670 152 HG2 GLU 19 2HG GLU 19 5.920 7.222 9.862 153 HG3 GLU 19 1HG GLU 19 6.448 8.822 10.384 154 H LEU 20 H LEU 20 5.478 7.602 5.513 155 HA LEU 20 HA LEU 20 3.966 9.805 4.299 156 HB2 LEU 20 2HB LEU 20 6.021 7.999 3.061 157 HB3 LEU 20 1HB LEU 20 4.904 8.958 2.103 158 HG LEU 20 HG LEU 20 7.023 10.036 3.978 159 HD11 LEU 20 1HD1 LEU 20 6.838 9.995 0.967 160 HD12 LEU 20 2HD1 LEU 20 7.930 9.015 1.947 161 HD13 LEU 20 3HD1 LEU 20 8.101 10.772 1.921 162 HD21 LEU 20 3HD2 LEU 20 5.058 11.514 3.828 163 HD22 LEU 20 1HD2 LEU 20 5.178 11.441 2.066 164 HD23 LEU 20 2HD2 LEU 20 6.464 12.195 3.007 165 H VAL 21 H VAL 21 2.339 9.191 2.860 166 HA VAL 21 HA VAL 21 1.366 6.509 3.345 167 HB VAL 21 HB VAL 21 -0.129 8.334 3.983 168 HG11 VAL 21 1HG1 VAL 21 -1.147 9.833 2.366 169 HG12 VAL 21 2HG1 VAL 21 -0.108 9.173 1.104 170 HG13 VAL 21 3HG1 VAL 21 0.604 10.054 2.456 171 HG21 VAL 21 3HG2 VAL 21 -2.159 7.656 2.731 172 HG22 VAL 21 1HG2 VAL 21 -1.183 6.284 3.262 173 HG23 VAL 21 2HG2 VAL 21 -1.119 6.806 1.583 174 HA PRO 22 HA PRO 22 2.591 5.605 -0.806 175 HB2 PRO 22 2HB PRO 22 1.483 3.107 -0.932 176 HB3 PRO 22 1HB PRO 22 3.030 3.442 -0.151 177 HG2 PRO 22 2HG PRO 22 0.347 3.019 1.066 178 HG3 PRO 22 1HG PRO 22 1.952 2.535 1.647 179 HD2 PRO 22 2HD PRO 22 0.550 4.688 2.599 180 HD3 PRO 22 1HD PRO 22 2.315 4.546 2.663 181 H GLU 23 H GLU 23 1.626 6.082 -2.587 182 HA GLU 23 HA GLU 23 -1.128 6.845 -2.673 183 HB2 GLU 23 2HB GLU 23 0.770 7.977 -3.871 184 HB3 GLU 23 1HB GLU 23 0.873 6.572 -4.916 185 HG2 GLU 23 2HG GLU 23 -0.306 8.382 -5.967 186 HG3 GLU 23 1HG GLU 23 -1.376 6.998 -5.730 187 H LYS 24 H LYS 24 0.809 4.185 -3.733 188 HA LYS 24 HA LYS 24 -1.545 2.621 -4.366 189 HB2 LYS 24 2HB LYS 24 -0.855 3.599 -6.501 190 HB3 LYS 24 1HB LYS 24 0.789 3.041 -6.255 191 HG2 LYS 24 2HG LYS 24 0.047 0.731 -6.402 192 HG3 LYS 24 1HG LYS 24 -1.620 1.253 -6.593 193 HD2 LYS 24 2HD LYS 24 0.650 1.882 -8.480 194 HD3 LYS 24 1HD LYS 24 -0.580 0.650 -8.736 195 HE2 LYS 24 2HE LYS 24 -1.011 3.627 -8.561 196 HE3 LYS 24 1HE LYS 24 -1.154 2.618 -9.993 197 HZ1 LYS 24 3HZ LYS 24 -3.311 3.123 -9.082 198 HZ2 LYS 24 1HZ LYS 24 -2.916 2.464 -7.595 199 HZ3 LYS 24 2HZ LYS 24 -3.049 1.482 -8.943 200 H VAL 25 H VAL 25 -1.172 0.432 -3.957 201 HA VAL 25 HA VAL 25 1.498 -0.315 -3.037 202 HB VAL 25 HB VAL 25 0.456 -1.703 -1.231 203 HG11 VAL 25 1HG1 VAL 25 -0.005 0.123 0.330 204 HG12 VAL 25 2HG1 VAL 25 -0.151 1.239 -1.026 205 HG13 VAL 25 3HG1 VAL 25 1.400 0.478 -0.680 206 HG21 VAL 25 3HG2 VAL 25 -2.068 -0.181 -1.915 207 HG22 VAL 25 1HG2 VAL 25 -1.850 -1.231 -0.515 208 HG23 VAL 25 2HG2 VAL 25 -1.806 -1.913 -2.142 209 H TRP 26 H TRP 26 2.151 -2.339 -3.636 210 HA TRP 26 HA TRP 26 0.208 -4.198 -4.623 211 HB2 TRP 26 2HB TRP 26 1.386 -4.587 -6.784 212 HB3 TRP 26 1HB TRP 26 0.645 -3.004 -6.674 213 HD1 TRP 26 HD TRP 26 3.868 -4.699 -7.446 214 HE1 TRP 26 1HE TRP 26 5.699 -2.969 -7.920 215 HE3 TRP 26 3HE TRP 26 1.486 -0.549 -5.761 216 HZ2 TRP 26 2HZ TRP 26 6.061 -0.161 -7.635 217 HZ3 TRP 26 3HZ TRP 26 2.624 1.627 -5.897 218 HH2 TRP 26 HH TRP 26 4.862 1.815 -6.804 219 H ALA 27 H ALA 27 0.905 -6.319 -4.752 220 HA ALA 27 HA ALA 27 3.224 -6.784 -3.038 221 HB1 ALA 27 1HB ALA 27 1.065 -7.563 -2.159 222 HB2 ALA 27 2HB ALA 27 2.179 -8.896 -2.453 223 HB3 ALA 27 3HB ALA 27 0.865 -8.581 -3.584 224 H LEU 28 H LEU 28 4.885 -7.822 -3.772 225 HA LEU 28 HA LEU 28 4.746 -9.112 -6.386 226 HB2 LEU 28 2HB LEU 28 7.092 -8.013 -4.828 227 HB3 LEU 28 1HB LEU 28 7.283 -8.957 -6.277 228 HG LEU 28 HG LEU 28 5.984 -7.113 -7.468 229 HD11 LEU 28 1HD1 LEU 28 6.584 -5.638 -4.923 230 HD12 LEU 28 2HD1 LEU 28 4.985 -6.053 -5.541 231 HD13 LEU 28 3HD1 LEU 28 6.003 -4.914 -6.423 232 HD21 LEU 28 3HD2 LEU 28 8.379 -7.395 -7.705 233 HD22 LEU 28 1HD2 LEU 28 8.643 -6.471 -6.225 234 HD23 LEU 28 2HD2 LEU 28 7.958 -5.683 -7.649 235 H ALA 29 H ALA 29 3.958 -11.045 -5.660 236 HA ALA 29 HA ALA 29 5.734 -12.445 -3.818 237 HB1 ALA 29 1HB ALA 29 3.565 -11.994 -2.757 238 HB2 ALA 29 2HB ALA 29 3.855 -13.719 -2.981 239 HB3 ALA 29 3HB ALA 29 2.757 -12.861 -4.066 240 HA PRO 30 HA PRO 30 5.839 -14.878 -7.649 241 HB2 PRO 30 2HB PRO 30 8.645 -15.238 -6.979 242 HB3 PRO 30 1HB PRO 30 7.966 -14.492 -8.426 243 HG2 PRO 30 2HG PRO 30 9.325 -13.078 -6.552 244 HG3 PRO 30 1HG PRO 30 8.015 -12.378 -7.520 245 HD2 PRO 30 2HD PRO 30 7.953 -13.414 -4.714 246 HD3 PRO 30 1HD PRO 30 7.201 -11.956 -5.402 247 H LYS 31 H LYS 31 5.237 -16.908 -7.325 248 HA LYS 31 HA LYS 31 5.394 -18.215 -4.856 249 HB2 LYS 31 2HB LYS 31 3.783 -18.616 -6.839 250 HB3 LYS 31 1HB LYS 31 5.063 -19.581 -7.540 251 HG2 LYS 31 2HG LYS 31 3.774 -20.150 -4.867 252 HG3 LYS 31 1HG LYS 31 3.273 -20.883 -6.383 253 HD2 LYS 31 2HD LYS 31 5.454 -21.928 -6.619 254 HD3 LYS 31 1HD LYS 31 6.013 -21.123 -5.150 255 HE2 LYS 31 2HE LYS 31 5.414 -23.412 -4.642 256 HE3 LYS 31 1HE LYS 31 4.278 -22.306 -3.881 257 HZ1 LYS 31 3HZ LYS 31 3.810 -23.862 -6.353 258 HZ2 LYS 31 1HZ LYS 31 2.713 -22.754 -5.691 259 HZ3 LYS 31 2HZ LYS 31 3.128 -24.124 -4.836 260 H GLY 32 H GLY 32 7.277 -18.688 -3.961 261 HA2 GLY 32 2HA GLY 32 9.052 -20.443 -4.043 262 HA3 GLY 32 1HA GLY 32 9.392 -19.841 -5.659 263 H ARG 33 H ARG 33 8.696 -17.084 -4.344 264 HA ARG 33 HA ARG 33 11.416 -16.643 -3.341 265 HB2 ARG 33 2HB ARG 33 9.541 -14.914 -4.876 266 HB3 ARG 33 1HB ARG 33 10.610 -14.132 -3.734 267 HG2 ARG 33 2HG ARG 33 11.632 -14.043 -5.890 268 HG3 ARG 33 1HG ARG 33 12.541 -15.178 -4.903 269 HD2 ARG 33 2HD ARG 33 11.362 -17.031 -6.013 270 HD3 ARG 33 1HD ARG 33 10.512 -15.868 -7.025 271 HE ARG 33 HE ARG 33 13.394 -16.403 -7.068 272 HH11 ARG 33 1HH1 ARG 33 10.523 -15.010 -8.644 273 HH12 ARG 33 2HH1 ARG 33 11.287 -14.746 -10.124 274 HH21 ARG 33 1HH2 ARG 33 14.443 -16.009 -9.085 275 HH22 ARG 33 2HH2 ARG 33 13.611 -15.313 -10.398 276 H LYS 34 H LYS 34 11.217 -14.340 -2.032 277 HA LYS 34 HA LYS 34 10.188 -15.094 0.517 278 HB2 LYS 34 2HB LYS 34 12.200 -13.554 -0.229 279 HB3 LYS 34 1HB LYS 34 10.983 -12.298 -0.263 280 HG2 LYS 34 2HG LYS 34 11.784 -13.925 2.146 281 HG3 LYS 34 1HG LYS 34 12.327 -12.297 1.781 282 HD2 LYS 34 2HD LYS 34 9.940 -11.564 1.926 283 HD3 LYS 34 1HD LYS 34 9.545 -13.199 2.482 284 HE2 LYS 34 2HE LYS 34 11.226 -12.920 4.291 285 HE3 LYS 34 1HE LYS 34 11.429 -11.253 3.777 286 HZ1 LYS 34 3HZ LYS 34 8.931 -12.451 4.830 287 HZ2 LYS 34 1HZ LYS 34 9.083 -10.853 4.295 288 HZ3 LYS 34 2HZ LYS 34 9.958 -11.379 5.625 289 H GLY 35 H GLY 35 9.382 -12.586 -1.832 290 HA2 GLY 35 2HA GLY 35 7.203 -11.958 -2.471 291 HA3 GLY 35 1HA GLY 35 6.570 -12.735 -1.016 292 H VAL 36 H VAL 36 7.479 -9.851 -2.441 293 HA VAL 36 HA VAL 36 7.648 -8.536 0.167 294 HB VAL 36 HB VAL 36 8.980 -6.752 -0.927 295 HG11 VAL 36 1HG1 VAL 36 10.133 -9.538 -1.117 296 HG12 VAL 36 2HG1 VAL 36 10.114 -8.516 0.321 297 HG13 VAL 36 3HG1 VAL 36 11.083 -8.054 -1.078 298 HG21 VAL 36 3HG2 VAL 36 9.038 -8.647 -3.284 299 HG22 VAL 36 1HG2 VAL 36 10.029 -7.197 -3.116 300 HG23 VAL 36 2HG2 VAL 36 8.278 -7.055 -3.233 301 H LYS 37 H LYS 37 6.992 -6.273 0.126 302 HA LYS 37 HA LYS 37 4.675 -5.823 -1.630 303 HB2 LYS 37 2HB LYS 37 5.181 -4.973 1.220 304 HB3 LYS 37 1HB LYS 37 3.811 -4.437 0.258 305 HG2 LYS 37 2HG LYS 37 2.989 -6.708 0.134 306 HG3 LYS 37 1HG LYS 37 4.412 -7.291 0.996 307 HD2 LYS 37 2HD LYS 37 3.779 -6.047 2.967 308 HD3 LYS 37 1HD LYS 37 2.422 -5.323 2.110 309 HE2 LYS 37 2HE LYS 37 1.696 -7.158 3.551 310 HE3 LYS 37 1HE LYS 37 1.393 -7.501 1.849 311 HZ1 LYS 37 3HZ LYS 37 2.278 -9.418 2.987 312 HZ2 LYS 37 1HZ LYS 37 3.653 -8.567 3.458 313 HZ3 LYS 37 2HZ LYS 37 3.397 -8.892 1.836 314 H ILE 38 H ILE 38 4.595 -3.818 -2.633 315 HA ILE 38 HA ILE 38 6.656 -1.900 -1.863 316 HB ILE 38 HB ILE 38 5.963 -2.649 -4.735 317 HG12 ILE 38 2HG1 ILE 38 8.546 -2.897 -3.184 318 HG13 ILE 38 1HG1 ILE 38 7.517 -4.244 -3.652 319 HG21 ILE 38 1HG2 ILE 38 6.300 -0.259 -4.550 320 HG22 ILE 38 2HG2 ILE 38 7.656 -0.998 -5.399 321 HG23 ILE 38 3HG2 ILE 38 7.829 -0.511 -3.709 322 HD11 ILE 38 3HD1 ILE 38 9.460 -4.088 -5.088 323 HD12 ILE 38 1HD1 ILE 38 9.059 -2.420 -5.495 324 HD13 ILE 38 2HD1 ILE 38 8.004 -3.735 -6.017 325 H GLY 39 H GLY 39 6.023 0.147 -1.831 326 HA2 GLY 39 2HA GLY 39 3.344 0.764 -2.846 327 HA3 GLY 39 1HA GLY 39 3.883 1.338 -1.268 328 H LEU 40 H LEU 40 3.126 2.745 -3.716 329 HA LEU 40 HA LEU 40 5.630 4.063 -4.453 330 HB2 LEU 40 2HB LEU 40 4.082 3.471 -6.233 331 HB3 LEU 40 1HB LEU 40 2.821 4.423 -5.509 332 HG LEU 40 HG LEU 40 4.307 6.437 -5.846 333 HD11 LEU 40 1HD1 LEU 40 6.063 6.211 -7.565 334 HD12 LEU 40 2HD1 LEU 40 5.875 4.461 -7.481 335 HD13 LEU 40 3HD1 LEU 40 6.431 5.359 -6.071 336 HD21 LEU 40 3HD2 LEU 40 3.480 4.905 -8.281 337 HD22 LEU 40 1HD2 LEU 40 3.794 6.638 -8.192 338 HD23 LEU 40 2HD2 LEU 40 2.431 5.945 -7.298 339 H PHE 41 H PHE 41 6.234 5.820 -3.469 340 HA PHE 41 HA PHE 41 4.279 7.300 -1.829 341 HB2 PHE 41 2HB PHE 41 7.250 6.954 -1.482 342 HB3 PHE 41 1HB PHE 41 6.243 7.976 -0.496 343 HD1 PHE 41 2HD PHE 41 7.239 4.553 -1.266 344 HD2 PHE 41 1HD PHE 41 4.750 7.002 1.145 345 HE1 PHE 41 2HE PHE 41 6.855 2.658 0.257 346 HE2 PHE 41 1HE PHE 41 4.372 5.129 2.671 347 HZ PHE 41 HZ PHE 41 5.418 2.952 2.232 348 H LYS 42 H LYS 42 5.089 9.593 -1.469 349 HA LYS 42 HA LYS 42 6.515 10.665 -3.780 350 HB2 LYS 42 2HB LYS 42 4.104 11.145 -4.068 351 HB3 LYS 42 1HB LYS 42 4.049 11.844 -2.457 352 HG2 LYS 42 2HG LYS 42 5.641 13.596 -3.211 353 HG3 LYS 42 1HG LYS 42 5.551 12.924 -4.841 354 HD2 LYS 42 2HD LYS 42 3.179 13.382 -4.944 355 HD3 LYS 42 1HD LYS 42 3.182 13.932 -3.271 356 HE2 LYS 42 2HE LYS 42 3.152 15.862 -4.703 357 HE3 LYS 42 1HE LYS 42 4.727 15.755 -3.929 358 HZ1 LYS 42 3HZ LYS 42 4.091 15.006 -6.740 359 HZ2 LYS 42 1HZ LYS 42 5.623 14.818 -6.044 360 HZ3 LYS 42 2HZ LYS 42 4.956 16.332 -6.225 361 H ASP 43 H ASP 43 8.301 11.522 -3.005 362 HA ASP 43 HA ASP 43 8.656 12.068 -0.224 363 HB2 ASP 43 2HB ASP 43 10.556 11.352 -1.552 364 HB3 ASP 43 1HB ASP 43 10.375 12.734 -2.624 365 HA PRO 44 HA PRO 44 6.787 16.042 -0.352 366 HB2 PRO 44 2HB PRO 44 7.639 16.989 2.050 367 HB3 PRO 44 1HB PRO 44 6.342 15.802 1.869 368 HG2 PRO 44 2HG PRO 44 9.219 15.368 2.586 369 HG3 PRO 44 1HG PRO 44 7.767 14.588 3.238 370 HD2 PRO 44 2HD PRO 44 9.392 13.431 1.402 371 HD3 PRO 44 1HD PRO 44 7.653 13.092 1.506 372 H GLU 45 H GLU 45 10.273 15.764 -0.031 373 HA GLU 45 HA GLU 45 10.472 18.654 -0.271 374 HB2 GLU 45 2HB GLU 45 12.482 16.623 0.637 375 HB3 GLU 45 1HB GLU 45 12.873 18.321 0.366 376 HG2 GLU 45 2HG GLU 45 11.251 19.008 2.007 377 HG3 GLU 45 1HG GLU 45 10.721 17.345 2.217 378 H THR 46 H THR 46 11.527 15.757 -1.884 379 HA THR 46 HA THR 46 12.664 17.350 -4.025 380 HB THR 46 HB THR 46 12.966 15.101 -5.149 381 HG1 THR 46 1HG THR 46 12.053 14.137 -2.631 382 HG21 THR 46 3HG2 THR 46 14.717 14.300 -3.606 383 HG22 THR 46 1HG2 THR 46 14.070 15.356 -2.349 384 HG23 THR 46 2HG2 THR 46 14.776 16.049 -3.812 385 H GLY 47 H GLY 47 9.793 15.474 -3.307 386 HA2 GLY 47 2HA GLY 47 7.681 15.920 -4.134 387 HA3 GLY 47 1HA GLY 47 8.440 16.793 -5.462 388 H LYS 48 H LYS 48 10.087 14.017 -5.146 389 HA LYS 48 HA LYS 48 8.837 13.052 -7.569 390 HB2 LYS 48 2HB LYS 48 10.771 11.613 -7.801 391 HB3 LYS 48 1HB LYS 48 11.282 13.261 -7.475 392 HG2 LYS 48 2HG LYS 48 11.614 12.616 -5.089 393 HG3 LYS 48 1HG LYS 48 11.248 10.953 -5.540 394 HD2 LYS 48 2HD LYS 48 13.541 12.637 -6.562 395 HD3 LYS 48 1HD LYS 48 13.659 11.306 -5.419 396 HE2 LYS 48 2HE LYS 48 12.761 9.795 -7.194 397 HE3 LYS 48 1HE LYS 48 12.840 11.154 -8.314 398 HZ1 LYS 48 3HZ LYS 48 15.112 9.860 -6.926 399 HZ2 LYS 48 1HZ LYS 48 15.249 11.283 -7.856 400 HZ3 LYS 48 2HZ LYS 48 14.764 9.822 -8.559 401 H TYR 49 H TYR 49 7.896 11.107 -7.867 402 HA TYR 49 HA TYR 49 6.967 9.695 -5.534 403 HB2 TYR 49 2HB TYR 49 6.405 9.449 -8.485 404 HB3 TYR 49 1HB TYR 49 5.891 8.215 -7.349 405 HD1 TYR 49 1HD TYR 49 5.397 11.728 -8.387 406 HD2 TYR 49 2HD TYR 49 4.032 8.548 -5.919 407 HE1 TYR 49 1HE TYR 49 3.315 12.966 -7.938 408 HE2 TYR 49 2HE TYR 49 1.961 9.770 -5.463 409 HH TYR 49 HH TYR 49 1.216 12.083 -5.446 410 H PHE 50 H PHE 50 7.815 7.877 -4.785 411 HA PHE 50 HA PHE 50 9.707 6.437 -6.500 412 HB2 PHE 50 2HB PHE 50 11.299 6.216 -4.652 413 HB3 PHE 50 1HB PHE 50 11.009 7.914 -4.978 414 HD1 PHE 50 2HD PHE 50 9.374 9.165 -3.409 415 HD2 PHE 50 1HD PHE 50 11.016 5.333 -2.506 416 HE1 PHE 50 2HE PHE 50 8.843 9.492 -1.018 417 HE2 PHE 50 1HE PHE 50 10.484 5.667 -0.133 418 HZ PHE 50 HZ PHE 50 9.398 7.741 0.607 419 H ARG 51 H ARG 51 9.517 4.195 -6.295 420 HA ARG 51 HA ARG 51 7.452 3.344 -4.491 421 HB2 ARG 51 2HB ARG 51 7.449 1.298 -5.701 422 HB3 ARG 51 1HB ARG 51 7.377 2.603 -6.860 423 HG2 ARG 51 2HG ARG 51 9.739 2.247 -7.397 424 HG3 ARG 51 1HG ARG 51 9.825 0.968 -6.182 425 HD2 ARG 51 2HD ARG 51 8.008 -0.214 -7.409 426 HD3 ARG 51 1HD ARG 51 8.155 0.978 -8.702 427 HE ARG 51 HE ARG 51 10.657 -0.034 -8.282 428 HH11 ARG 51 1HH1 ARG 51 7.497 -1.225 -9.414 429 HH12 ARG 51 2HH1 ARG 51 8.097 -2.642 -10.116 430 HH21 ARG 51 1HH2 ARG 51 11.512 -2.037 -9.321 431 HH22 ARG 51 2HH2 ARG 51 10.439 -3.106 -10.080 432 H HIS 52 H HIS 52 7.830 2.128 -2.734 433 HA HIS 52 HA HIS 52 10.589 1.234 -2.305 434 HB2 HIS 52 2HB HIS 52 10.186 3.502 -1.237 435 HB3 HIS 52 1HB HIS 52 8.997 2.724 -0.204 436 HD1 HIS 52 1HD HIS 52 9.958 1.051 1.663 437 HD2 HIS 52 2HD HIS 52 12.843 3.073 -0.564 438 HE1 HIS 52 1HE HIS 52 12.040 0.850 2.954 439 HE2 HIS 52 2HE HIS 52 13.799 1.635 1.318 440 H LYS 53 H LYS 53 10.754 -0.511 -0.947 441 HA LYS 53 HA LYS 53 8.625 -2.330 -0.859 442 HB2 LYS 53 2HB LYS 53 10.981 -2.949 -0.973 443 HB3 LYS 53 1HB LYS 53 11.269 -2.266 0.610 444 HG2 LYS 53 2HG LYS 53 9.826 -3.975 1.617 445 HG3 LYS 53 1HG LYS 53 9.521 -4.650 0.015 446 HD2 LYS 53 2HD LYS 53 12.253 -4.420 1.293 447 HD3 LYS 53 1HD LYS 53 11.275 -5.890 1.287 448 HE2 LYS 53 2HE LYS 53 11.347 -5.931 -1.157 449 HE3 LYS 53 1HE LYS 53 12.257 -4.428 -1.171 450 HZ1 LYS 53 3HZ LYS 53 13.269 -6.951 0.053 451 HZ2 LYS 53 1HZ LYS 53 14.103 -5.513 -0.150 452 HZ3 LYS 53 2HZ LYS 53 13.651 -6.394 -1.486 453 H LEU 54 H LEU 54 7.295 -2.867 0.752 454 HA LEU 54 HA LEU 54 7.074 -0.998 3.006 455 HB2 LEU 54 2HB LEU 54 5.030 -3.051 2.205 456 HB3 LEU 54 1HB LEU 54 4.824 -1.642 3.160 457 HG LEU 54 HG LEU 54 5.378 -1.483 0.208 458 HD11 LEU 54 1HD1 LEU 54 2.803 -1.163 1.733 459 HD12 LEU 54 2HD1 LEU 54 3.203 -2.519 0.690 460 HD13 LEU 54 3HD1 LEU 54 3.020 -0.904 0.001 461 HD21 LEU 54 3HD2 LEU 54 4.524 0.576 2.235 462 HD22 LEU 54 1HD2 LEU 54 4.713 0.839 0.499 463 HD23 LEU 54 2HD2 LEU 54 6.120 0.443 1.485 464 HA PRO 55 HA PRO 55 7.929 -4.314 5.930 465 HB2 PRO 55 2HB PRO 55 5.367 -3.809 7.321 466 HB3 PRO 55 1HB PRO 55 7.010 -3.634 7.936 467 HG2 PRO 55 2HG PRO 55 5.537 -1.480 7.441 468 HG3 PRO 55 1HG PRO 55 7.266 -1.498 7.032 469 HD2 PRO 55 2HD PRO 55 4.909 -2.021 5.259 470 HD3 PRO 55 1HD PRO 55 6.242 -0.941 4.897 471 H ASP 56 H ASP 56 7.413 -6.487 6.202 472 HA ASP 56 HA ASP 56 5.686 -7.701 4.345 473 HB2 ASP 56 2HB ASP 56 7.012 -8.804 6.811 474 HB3 ASP 56 1HB ASP 56 6.052 -9.787 5.712 475 H ASP 57 H ASP 57 5.332 -6.759 7.627 476 HA ASP 57 HA ASP 57 2.833 -8.157 8.009 477 HB2 ASP 57 2HB ASP 57 2.967 -7.276 10.295 478 HB3 ASP 57 1HB ASP 57 4.438 -8.121 9.830 479 H TYR 58 H TYR 58 3.461 -5.498 6.314 480 HA TYR 58 HA TYR 58 1.480 -3.753 7.450 481 HB2 TYR 58 2HB TYR 58 3.476 -2.824 6.427 482 HB3 TYR 58 1HB TYR 58 3.140 -3.655 4.922 483 HD1 TYR 58 2HD TYR 58 1.942 -0.965 7.177 484 HD2 TYR 58 1HD TYR 58 1.833 -2.641 3.291 485 HE1 TYR 58 2HE TYR 58 0.765 1.043 6.346 486 HE2 TYR 58 1HE TYR 58 0.673 -0.658 2.445 487 HH TYR 58 HH TYR 58 0.367 2.212 4.223 488 HA PRO 59 HA PRO 59 -1.518 -6.167 5.231 489 HB2 PRO 59 2HB PRO 59 -3.751 -4.967 6.234 490 HB3 PRO 59 1HB PRO 59 -2.814 -6.185 7.101 491 HG2 PRO 59 2HG PRO 59 -2.940 -3.267 7.505 492 HG3 PRO 59 1HG PRO 59 -2.551 -4.548 8.660 493 HD2 PRO 59 2HD PRO 59 -0.715 -2.841 7.361 494 HD3 PRO 59 1HD PRO 59 -0.330 -4.299 8.283 495 H ILE 60 H ILE 60 -1.806 -5.868 3.193 496 HA ILE 60 HA ILE 60 -2.967 -3.365 2.286 497 HB ILE 60 HB ILE 60 -1.901 -3.770 0.041 498 HG12 ILE 60 2HG1 ILE 60 -0.196 -5.782 1.539 499 HG13 ILE 60 1HG1 ILE 60 -1.418 -6.197 0.344 500 HG21 ILE 60 1HG2 ILE 60 -0.072 -3.400 2.389 501 HG22 ILE 60 2HG2 ILE 60 -0.992 -2.145 1.563 502 HG23 ILE 60 3HG2 ILE 60 0.327 -2.974 0.728 503 HD11 ILE 60 3HD1 ILE 60 1.060 -4.568 -0.174 504 HD12 ILE 60 1HD1 ILE 60 -0.138 -5.039 -1.378 505 HD13 ILE 60 2HD1 ILE 60 0.846 -6.268 -0.576 Start of MODEL 9 1 H1 MET 1 1HT MET 1 -14.459 7.638 5.530 2 H2 MET 1 2HT MET 1 -13.189 7.915 4.463 3 H3 MET 1 3HT MET 1 -12.907 7.861 6.115 4 HA MET 1 HA MET 1 -13.437 5.617 6.303 5 HB2 MET 1 2HB MET 1 -13.948 5.730 3.323 6 HB3 MET 1 1HB MET 1 -13.757 4.228 4.212 7 HG2 MET 1 2HG MET 1 -15.736 4.774 5.534 8 HG3 MET 1 1HG MET 1 -15.905 6.289 4.647 9 HE1 MET 1 2HE MET 1 -16.032 2.380 4.452 10 HE2 MET 1 3HE MET 1 -14.852 2.747 3.198 11 HE3 MET 1 1HE MET 1 -16.433 2.107 2.754 12 H SER 2 H SER 2 -12.009 5.385 3.076 13 HA SER 2 HA SER 2 -9.499 4.744 4.349 14 HB2 SER 2 2HB SER 2 -10.369 4.604 1.452 15 HB3 SER 2 1HB SER 2 -8.830 4.013 2.081 16 HG SER 2 HG SER 2 -11.023 3.066 3.440 17 H SER 3 H SER 3 -11.032 7.413 3.201 18 HA SER 3 HA SER 3 -9.194 8.972 1.933 19 HB2 SER 3 2HB SER 3 -10.571 10.781 3.215 20 HB3 SER 3 1HB SER 3 -11.403 9.724 2.064 21 HG SER 3 HG SER 3 -11.387 9.676 4.864 22 H GLY 4 H GLY 4 -7.270 9.688 2.559 23 HA2 GLY 4 2HA GLY 4 -5.883 10.867 4.129 24 HA3 GLY 4 1HA GLY 4 -6.692 9.985 5.431 25 H LYS 5 H LYS 5 -6.800 7.529 4.114 26 HA LYS 5 HA LYS 5 -5.788 5.576 3.945 27 HB2 LYS 5 2HB LYS 5 -3.435 7.145 2.884 28 HB3 LYS 5 1HB LYS 5 -3.726 5.431 2.651 29 HG2 LYS 5 2HG LYS 5 -5.721 5.950 1.333 30 HG3 LYS 5 1HG LYS 5 -5.417 7.673 1.573 31 HD2 LYS 5 2HD LYS 5 -3.237 7.421 0.463 32 HD3 LYS 5 1HD LYS 5 -3.596 5.718 0.171 33 HE2 LYS 5 2HE LYS 5 -5.616 6.447 -1.100 34 HE3 LYS 5 1HE LYS 5 -5.074 8.109 -0.900 35 HZ1 LYS 5 3HZ LYS 5 -3.577 5.963 -2.297 36 HZ2 LYS 5 1HZ LYS 5 -3.049 7.571 -2.128 37 HZ3 LYS 5 2HZ LYS 5 -4.423 7.222 -3.016 38 H LYS 6 H LYS 6 -3.081 4.860 4.275 39 HA LYS 6 HA LYS 6 -2.649 5.576 7.051 40 HB2 LYS 6 2HB LYS 6 -1.971 3.109 7.368 41 HB3 LYS 6 1HB LYS 6 -3.682 3.504 7.331 42 HG2 LYS 6 2HG LYS 6 -3.797 2.800 4.998 43 HG3 LYS 6 1HG LYS 6 -2.078 2.412 5.031 44 HD2 LYS 6 2HD LYS 6 -2.432 0.673 6.625 45 HD3 LYS 6 1HD LYS 6 -4.113 1.158 6.857 46 HE2 LYS 6 2HE LYS 6 -3.913 -0.817 5.427 47 HE3 LYS 6 1HE LYS 6 -4.638 0.548 4.582 48 HZ1 LYS 6 3HZ LYS 6 -2.507 0.957 3.499 49 HZ2 LYS 6 1HZ LYS 6 -3.059 -0.631 3.240 50 HZ3 LYS 6 2HZ LYS 6 -1.828 -0.360 4.354 51 HA PRO 7 HA PRO 7 1.337 6.190 5.141 52 HB2 PRO 7 2HB PRO 7 2.365 7.697 7.146 53 HB3 PRO 7 1HB PRO 7 1.306 8.360 5.903 54 HG2 PRO 7 2HG PRO 7 0.682 7.612 8.711 55 HG3 PRO 7 1HG PRO 7 0.047 8.940 7.724 56 HD2 PRO 7 2HD PRO 7 -1.283 6.588 8.234 57 HD3 PRO 7 1HD PRO 7 -1.606 7.646 6.845 58 H VAL 8 H VAL 8 3.464 5.586 5.655 59 HA VAL 8 HA VAL 8 3.745 3.847 7.978 60 HB VAL 8 HB VAL 8 3.255 2.463 5.934 61 HG11 VAL 8 1HG1 VAL 8 4.144 3.846 4.219 62 HG12 VAL 8 2HG1 VAL 8 4.908 2.255 4.159 63 HG13 VAL 8 3HG1 VAL 8 5.780 3.627 4.839 64 HG21 VAL 8 3HG2 VAL 8 4.582 1.462 7.704 65 HG22 VAL 8 1HG2 VAL 8 6.058 2.135 7.010 66 HG23 VAL 8 2HG2 VAL 8 5.154 0.902 6.133 67 H LYS 9 H LYS 9 5.926 3.724 8.719 68 HA LYS 9 HA LYS 9 7.446 6.073 8.208 69 HB2 LYS 9 2HB LYS 9 8.037 3.586 9.825 70 HB3 LYS 9 1HB LYS 9 9.004 5.059 9.832 71 HG2 LYS 9 2HG LYS 9 7.197 6.314 10.747 72 HG3 LYS 9 1HG LYS 9 6.110 4.933 10.618 73 HD2 LYS 9 2HD LYS 9 7.496 3.718 12.240 74 HD3 LYS 9 1HD LYS 9 8.560 5.122 12.375 75 HE2 LYS 9 2HE LYS 9 6.715 6.473 13.196 76 HE3 LYS 9 1HE LYS 9 5.609 5.117 12.989 77 HZ1 LYS 9 3HZ LYS 9 7.916 5.194 14.855 78 HZ2 LYS 9 1HZ LYS 9 6.835 3.907 14.670 79 HZ3 LYS 9 2HZ LYS 9 6.297 5.379 15.269 80 H VAL 10 H VAL 10 8.549 6.229 6.436 81 HA VAL 10 HA VAL 10 9.964 3.891 5.439 82 HB VAL 10 HB VAL 10 7.841 4.148 4.246 83 HG11 VAL 10 1HG1 VAL 10 7.460 6.502 4.417 84 HG12 VAL 10 2HG1 VAL 10 7.457 6.030 2.716 85 HG13 VAL 10 3HG1 VAL 10 8.862 6.845 3.403 86 HG21 VAL 10 3HG2 VAL 10 9.665 3.165 3.050 87 HG22 VAL 10 1HG2 VAL 10 10.242 4.757 2.543 88 HG23 VAL 10 2HG2 VAL 10 8.690 4.143 1.955 89 H LYS 11 H LYS 11 11.851 4.416 4.323 90 HA LYS 11 HA LYS 11 12.833 7.033 4.965 91 HB2 LYS 11 2HB LYS 11 14.276 4.660 3.792 92 HB3 LYS 11 1HB LYS 11 15.036 6.225 4.074 93 HG2 LYS 11 2HG LYS 11 14.454 6.017 6.478 94 HG3 LYS 11 1HG LYS 11 13.843 4.400 6.161 95 HD2 LYS 11 2HD LYS 11 16.680 5.358 5.759 96 HD3 LYS 11 1HD LYS 11 16.106 4.327 7.069 97 HE2 LYS 11 2HE LYS 11 15.446 2.638 5.353 98 HE3 LYS 11 1HE LYS 11 16.170 3.678 4.132 99 HZ1 LYS 11 3HZ LYS 11 18.314 3.441 5.260 100 HZ2 LYS 11 1HZ LYS 11 17.693 1.942 4.813 101 HZ3 LYS 11 2HZ LYS 11 17.601 2.438 6.409 102 H THR 12 H THR 12 13.085 8.560 3.745 103 HA THR 12 HA THR 12 11.760 8.722 1.233 104 HB THR 12 HB THR 12 12.569 11.092 1.397 105 HG1 THR 12 1HG THR 12 13.445 10.426 3.994 106 HG21 THR 12 3HG2 THR 12 11.294 9.951 3.900 107 HG22 THR 12 1HG2 THR 12 10.442 10.385 2.420 108 HG23 THR 12 2HG2 THR 12 11.222 11.637 3.390 109 HA PRO 13 HA PRO 13 15.327 8.472 -1.564 110 HB2 PRO 13 2HB PRO 13 14.705 11.120 -2.716 111 HB3 PRO 13 1HB PRO 13 14.726 9.535 -3.493 112 HG2 PRO 13 2HG PRO 13 12.432 10.807 -3.016 113 HG3 PRO 13 1HG PRO 13 12.567 9.045 -2.885 114 HD2 PRO 13 2HD PRO 13 12.550 11.108 -0.726 115 HD3 PRO 13 1HD PRO 13 11.742 9.528 -0.786 116 H ALA 14 H ALA 14 14.793 11.216 0.413 117 HA ALA 14 HA ALA 14 17.368 12.428 0.106 118 HB1 ALA 14 1HB ALA 14 16.725 13.754 2.079 119 HB2 ALA 14 2HB ALA 14 15.320 12.710 2.314 120 HB3 ALA 14 3HB ALA 14 15.435 13.725 0.877 121 H GLY 15 H GLY 15 16.071 9.768 1.854 122 HA2 GLY 15 2HA GLY 15 17.453 8.065 2.709 123 HA3 GLY 15 1HA GLY 15 18.729 9.251 2.943 124 H LYS 16 H LYS 16 15.687 10.293 3.989 125 HA LYS 16 HA LYS 16 16.495 9.702 6.752 126 HB2 LYS 16 2HB LYS 16 15.481 11.812 7.423 127 HB3 LYS 16 1HB LYS 16 16.715 12.073 6.203 128 HG2 LYS 16 2HG LYS 16 14.962 12.257 4.500 129 HG3 LYS 16 1HG LYS 16 13.746 12.047 5.754 130 HD2 LYS 16 2HD LYS 16 14.584 14.045 6.889 131 HD3 LYS 16 1HD LYS 16 15.761 14.260 5.586 132 HE2 LYS 16 2HE LYS 16 13.967 14.512 3.982 133 HE3 LYS 16 1HE LYS 16 12.773 14.221 5.246 134 HZ1 LYS 16 3HZ LYS 16 13.552 16.214 6.364 135 HZ2 LYS 16 1HZ LYS 16 12.955 16.510 4.810 136 HZ3 LYS 16 2HZ LYS 16 14.632 16.523 5.081 137 H GLU 17 H GLU 17 14.590 9.838 8.293 138 HA GLU 17 HA GLU 17 12.647 7.943 7.308 139 HB2 GLU 17 2HB GLU 17 13.112 8.971 10.096 140 HB3 GLU 17 1HB GLU 17 12.015 7.680 9.647 141 HG2 GLU 17 2HG GLU 17 13.835 6.556 10.432 142 HG3 GLU 17 1HG GLU 17 14.088 6.519 8.707 143 H ALA 18 H ALA 18 10.491 8.398 7.077 144 HA ALA 18 HA ALA 18 9.231 10.564 8.466 145 HB1 ALA 18 1HB ALA 18 8.413 11.703 6.443 146 HB2 ALA 18 2HB ALA 18 9.408 10.647 5.442 147 HB3 ALA 18 3HB ALA 18 10.171 11.790 6.549 148 H GLU 19 H GLU 19 6.927 10.386 8.294 149 HA GLU 19 HA GLU 19 6.092 7.764 7.402 150 HB2 GLU 19 2HB GLU 19 4.648 9.893 8.979 151 HB3 GLU 19 1HB GLU 19 3.875 8.417 8.431 152 HG2 GLU 19 2HG GLU 19 5.497 7.110 9.705 153 HG3 GLU 19 1HG GLU 19 6.221 8.599 10.307 154 H LEU 20 H LEU 20 5.727 7.628 5.380 155 HA LEU 20 HA LEU 20 4.354 9.846 4.103 156 HB2 LEU 20 2HB LEU 20 6.190 7.806 2.908 157 HB3 LEU 20 1HB LEU 20 5.217 8.900 1.933 158 HG LEU 20 HG LEU 20 7.464 9.629 3.816 159 HD11 LEU 20 1HD1 LEU 20 8.518 10.463 1.767 160 HD12 LEU 20 2HD1 LEU 20 7.172 9.816 0.830 161 HD13 LEU 20 3HD1 LEU 20 8.228 8.725 1.726 162 HD21 LEU 20 3HD2 LEU 20 5.746 11.349 3.952 163 HD22 LEU 20 1HD2 LEU 20 5.669 11.428 2.188 164 HD23 LEU 20 2HD2 LEU 20 7.128 11.936 3.031 165 H VAL 21 H VAL 21 2.539 9.542 3.005 166 HA VAL 21 HA VAL 21 1.277 6.992 3.427 167 HB VAL 21 HB VAL 21 0.050 8.949 4.177 168 HG11 VAL 21 1HG1 VAL 21 0.884 10.637 2.681 169 HG12 VAL 21 2HG1 VAL 21 -0.882 10.589 2.658 170 HG13 VAL 21 3HG1 VAL 21 0.037 9.869 1.333 171 HG21 VAL 21 3HG2 VAL 21 -1.244 7.667 1.798 172 HG22 VAL 21 1HG2 VAL 21 -2.068 8.593 3.053 173 HG23 VAL 21 2HG2 VAL 21 -1.257 7.078 3.463 174 HA PRO 22 HA PRO 22 2.252 5.795 -0.688 175 HB2 PRO 22 2HB PRO 22 1.158 3.330 -0.603 176 HB3 PRO 22 1HB PRO 22 2.675 3.728 0.210 177 HG2 PRO 22 2HG PRO 22 -0.078 3.498 1.347 178 HG3 PRO 22 1HG PRO 22 1.460 2.930 2.019 179 HD2 PRO 22 2HD PRO 22 0.233 5.226 2.820 180 HD3 PRO 22 1HD PRO 22 1.988 4.989 2.875 181 H GLU 23 H GLU 23 1.319 6.014 -2.538 182 HA GLU 23 HA GLU 23 -1.490 6.590 -2.717 183 HB2 GLU 23 2HB GLU 23 0.808 6.680 -4.628 184 HB3 GLU 23 1HB GLU 23 -0.825 7.049 -5.140 185 HG2 GLU 23 2HG GLU 23 0.677 8.455 -2.941 186 HG3 GLU 23 1HG GLU 23 0.492 9.048 -4.593 187 H LYS 24 H LYS 24 0.760 4.201 -3.840 188 HA LYS 24 HA LYS 24 -1.480 2.445 -4.628 189 HB2 LYS 24 2HB LYS 24 1.228 2.689 -5.891 190 HB3 LYS 24 1HB LYS 24 -0.013 1.528 -6.383 191 HG2 LYS 24 2HG LYS 24 -1.341 3.465 -7.100 192 HG3 LYS 24 1HG LYS 24 0.014 4.505 -6.620 193 HD2 LYS 24 2HD LYS 24 0.285 4.144 -9.000 194 HD3 LYS 24 1HD LYS 24 1.473 3.136 -8.168 195 HE2 LYS 24 2HE LYS 24 0.442 1.883 -9.962 196 HE3 LYS 24 1HE LYS 24 0.009 1.187 -8.408 197 HZ1 LYS 24 3HZ LYS 24 -2.137 2.351 -8.563 198 HZ2 LYS 24 1HZ LYS 24 -1.907 1.306 -9.853 199 HZ3 LYS 24 2HZ LYS 24 -1.722 2.944 -10.080 200 H VAL 25 H VAL 25 -1.169 0.320 -3.892 201 HA VAL 25 HA VAL 25 1.424 -0.256 -2.789 202 HB VAL 25 HB VAL 25 0.429 -1.534 -0.876 203 HG11 VAL 25 1HG1 VAL 25 -0.317 1.375 -0.918 204 HG12 VAL 25 2HG1 VAL 25 1.232 0.683 -0.431 205 HG13 VAL 25 3HG1 VAL 25 -0.214 0.368 0.527 206 HG21 VAL 25 3HG2 VAL 25 -1.948 -1.142 -0.251 207 HG22 VAL 25 1HG2 VAL 25 -1.741 -2.014 -1.779 208 HG23 VAL 25 2HG2 VAL 25 -2.168 -0.303 -1.791 209 H TRP 26 H TRP 26 2.124 -2.372 -3.199 210 HA TRP 26 HA TRP 26 0.215 -4.315 -4.081 211 HB2 TRP 26 2HB TRP 26 1.364 -4.763 -6.235 212 HB3 TRP 26 1HB TRP 26 0.623 -3.176 -6.184 213 HD1 TRP 26 HD TRP 26 3.872 -4.913 -6.819 214 HE1 TRP 26 1HE TRP 26 5.687 -3.163 -7.418 215 HE3 TRP 26 3HE TRP 26 1.429 -0.669 -5.457 216 HZ2 TRP 26 2HZ TRP 26 6.004 -0.345 -7.318 217 HZ3 TRP 26 3HZ TRP 26 2.578 1.485 -5.725 218 HH2 TRP 26 HH TRP 26 4.786 1.631 -6.625 219 H ALA 27 H ALA 27 1.277 -6.392 -4.501 220 HA ALA 27 HA ALA 27 3.825 -6.662 -3.090 221 HB1 ALA 27 1HB ALA 27 2.026 -7.117 -1.473 222 HB2 ALA 27 2HB ALA 27 3.018 -8.540 -1.790 223 HB3 ALA 27 3HB ALA 27 1.423 -8.393 -2.528 224 H LEU 28 H LEU 28 5.177 -7.960 -4.014 225 HA LEU 28 HA LEU 28 4.294 -9.496 -6.317 226 HB2 LEU 28 2HB LEU 28 7.074 -8.854 -5.306 227 HB3 LEU 28 1HB LEU 28 6.769 -9.915 -6.658 228 HG LEU 28 HG LEU 28 5.715 -7.954 -7.849 229 HD11 LEU 28 1HD1 LEU 28 6.248 -5.707 -7.086 230 HD12 LEU 28 2HD1 LEU 28 6.939 -6.366 -5.604 231 HD13 LEU 28 3HD1 LEU 28 5.216 -6.549 -5.930 232 HD21 LEU 28 3HD2 LEU 28 7.968 -8.693 -8.348 233 HD22 LEU 28 1HD2 LEU 28 8.601 -7.695 -7.039 234 HD23 LEU 28 2HD2 LEU 28 7.854 -6.935 -8.443 235 H ALA 29 H ALA 29 3.326 -11.227 -5.524 236 HA ALA 29 HA ALA 29 4.986 -13.115 -4.038 237 HB1 ALA 29 1HB ALA 29 3.006 -13.838 -2.774 238 HB2 ALA 29 2HB ALA 29 2.046 -12.588 -3.564 239 HB3 ALA 29 3HB ALA 29 3.354 -12.133 -2.475 240 HA PRO 30 HA PRO 30 3.754 -15.142 -7.913 241 HB2 PRO 30 2HB PRO 30 5.533 -17.242 -6.854 242 HB3 PRO 30 1HB PRO 30 5.592 -16.420 -8.408 243 HG2 PRO 30 2HG PRO 30 7.387 -15.906 -6.467 244 HG3 PRO 30 1HG PRO 30 6.839 -14.657 -7.596 245 HD2 PRO 30 2HD PRO 30 6.117 -15.085 -4.740 246 HD3 PRO 30 1HD PRO 30 6.288 -13.582 -5.649 247 H LYS 31 H LYS 31 4.414 -17.156 -5.062 248 HA LYS 31 HA LYS 31 1.689 -17.714 -4.547 249 HB2 LYS 31 2HB LYS 31 2.026 -19.222 -6.528 250 HB3 LYS 31 1HB LYS 31 3.310 -20.024 -5.629 251 HG2 LYS 31 2HG LYS 31 1.667 -20.661 -3.899 252 HG3 LYS 31 1HG LYS 31 0.392 -19.933 -4.871 253 HD2 LYS 31 2HD LYS 31 0.382 -22.303 -5.258 254 HD3 LYS 31 1HD LYS 31 0.993 -21.505 -6.708 255 HE2 LYS 31 2HE LYS 31 3.289 -21.997 -6.013 256 HE3 LYS 31 1HE LYS 31 2.683 -22.796 -4.565 257 HZ1 LYS 31 3HZ LYS 31 2.196 -23.639 -7.362 258 HZ2 LYS 31 1HZ LYS 31 1.582 -24.412 -6.001 259 HZ3 LYS 31 2HZ LYS 31 3.244 -24.386 -6.279 260 H GLY 32 H GLY 32 4.816 -19.409 -4.326 261 HA2 GLY 32 2HA GLY 32 4.287 -19.964 -1.514 262 HA3 GLY 32 1HA GLY 32 5.512 -20.716 -2.523 263 H ARG 33 H ARG 33 4.777 -17.356 -1.847 264 HA ARG 33 HA ARG 33 7.246 -17.077 -0.369 265 HB2 ARG 33 2HB ARG 33 6.536 -15.360 -2.755 266 HB3 ARG 33 1HB ARG 33 7.747 -14.902 -1.587 267 HG2 ARG 33 2HG ARG 33 8.969 -17.035 -2.207 268 HG3 ARG 33 1HG ARG 33 7.835 -17.179 -3.548 269 HD2 ARG 33 2HD ARG 33 9.846 -16.079 -4.325 270 HD3 ARG 33 1HD ARG 33 8.518 -14.914 -4.311 271 HE ARG 33 HE ARG 33 10.137 -14.974 -1.926 272 HH11 ARG 33 1HH1 ARG 33 9.637 -13.335 -5.063 273 HH12 ARG 33 2HH1 ARG 33 10.633 -12.039 -4.657 274 HH21 ARG 33 1HH2 ARG 33 11.482 -13.170 -1.424 275 HH22 ARG 33 2HH2 ARG 33 11.719 -11.921 -2.546 276 H LYS 34 H LYS 34 7.214 -15.253 0.964 277 HA LYS 34 HA LYS 34 4.712 -14.659 2.101 278 HB2 LYS 34 2HB LYS 34 7.432 -13.397 2.449 279 HB3 LYS 34 1HB LYS 34 6.031 -12.976 3.421 280 HG2 LYS 34 2HG LYS 34 5.901 -15.163 4.340 281 HG3 LYS 34 1HG LYS 34 7.104 -15.778 3.218 282 HD2 LYS 34 2HD LYS 34 7.995 -15.408 5.513 283 HD3 LYS 34 1HD LYS 34 8.846 -14.484 4.281 284 HE2 LYS 34 2HE LYS 34 8.460 -13.142 6.272 285 HE3 LYS 34 1HE LYS 34 7.582 -12.487 4.901 286 HZ1 LYS 34 3HZ LYS 34 5.562 -13.695 5.851 287 HZ2 LYS 34 1HZ LYS 34 6.191 -12.390 6.724 288 HZ3 LYS 34 2HZ LYS 34 6.497 -13.958 7.233 289 H GLY 35 H GLY 35 6.764 -12.996 -0.166 290 HA2 GLY 35 2HA GLY 35 5.680 -11.754 -1.913 291 HA3 GLY 35 1HA GLY 35 4.474 -11.261 -0.735 292 H VAL 36 H VAL 36 6.711 -10.059 -2.516 293 HA VAL 36 HA VAL 36 7.971 -8.337 -0.533 294 HB VAL 36 HB VAL 36 8.203 -8.290 -3.566 295 HG11 VAL 36 1HG1 VAL 36 10.190 -6.906 -3.212 296 HG12 VAL 36 2HG1 VAL 36 9.900 -6.930 -1.474 297 HG13 VAL 36 3HG1 VAL 36 8.748 -6.137 -2.549 298 HG21 VAL 36 3HG2 VAL 36 9.071 -10.380 -2.660 299 HG22 VAL 36 1HG2 VAL 36 10.066 -9.485 -1.512 300 HG23 VAL 36 2HG2 VAL 36 10.392 -9.364 -3.238 301 H LYS 37 H LYS 37 6.636 -6.836 0.238 302 HA LYS 37 HA LYS 37 4.524 -5.698 -1.387 303 HB2 LYS 37 2HB LYS 37 5.363 -5.177 1.468 304 HB3 LYS 37 1HB LYS 37 4.005 -4.393 0.687 305 HG2 LYS 37 2HG LYS 37 2.940 -6.606 0.395 306 HG3 LYS 37 1HG LYS 37 4.286 -7.341 1.269 307 HD2 LYS 37 2HD LYS 37 3.755 -6.064 3.248 308 HD3 LYS 37 1HD LYS 37 2.512 -5.168 2.382 309 HE2 LYS 37 2HE LYS 37 1.477 -6.853 3.761 310 HE3 LYS 37 1HE LYS 37 1.260 -7.281 2.066 311 HZ1 LYS 37 3HZ LYS 37 1.860 -9.170 3.417 312 HZ2 LYS 37 1HZ LYS 37 3.278 -8.433 3.917 313 HZ3 LYS 37 2HZ LYS 37 3.056 -8.892 2.294 314 H ILE 38 H ILE 38 4.592 -3.758 -2.357 315 HA ILE 38 HA ILE 38 6.752 -1.894 -1.700 316 HB ILE 38 HB ILE 38 5.970 -2.638 -4.558 317 HG12 ILE 38 2HG1 ILE 38 8.504 -3.286 -3.033 318 HG13 ILE 38 1HG1 ILE 38 7.260 -4.446 -3.466 319 HG21 ILE 38 1HG2 ILE 38 8.156 -0.821 -3.546 320 HG22 ILE 38 2HG2 ILE 38 6.666 -0.313 -4.340 321 HG23 ILE 38 3HG2 ILE 38 7.867 -1.243 -5.234 322 HD11 ILE 38 3HD1 ILE 38 9.167 -4.630 -4.940 323 HD12 ILE 38 1HD1 ILE 38 9.018 -2.930 -5.390 324 HD13 ILE 38 2HD1 ILE 38 7.751 -4.078 -5.833 325 H GLY 39 H GLY 39 6.145 0.238 -1.937 326 HA2 GLY 39 2HA GLY 39 3.411 0.720 -2.862 327 HA3 GLY 39 1HA GLY 39 3.962 1.379 -1.323 328 H LEU 40 H LEU 40 3.066 2.760 -3.645 329 HA LEU 40 HA LEU 40 5.516 4.080 -4.547 330 HB2 LEU 40 2HB LEU 40 3.990 3.404 -6.316 331 HB3 LEU 40 1HB LEU 40 2.683 4.297 -5.591 332 HG LEU 40 HG LEU 40 3.922 6.402 -6.052 333 HD11 LEU 40 1HD1 LEU 40 5.821 6.310 -7.603 334 HD12 LEU 40 2HD1 LEU 40 5.838 4.550 -7.448 335 HD13 LEU 40 3HD1 LEU 40 6.172 5.570 -6.041 336 HD21 LEU 40 3HD2 LEU 40 3.617 6.392 -8.456 337 HD22 LEU 40 1HD2 LEU 40 2.265 5.594 -7.634 338 HD23 LEU 40 2HD2 LEU 40 3.524 4.630 -8.432 339 H PHE 41 H PHE 41 6.091 5.926 -3.722 340 HA PHE 41 HA PHE 41 4.204 7.420 -2.018 341 HB2 PHE 41 2HB PHE 41 7.166 6.990 -1.716 342 HB3 PHE 41 1HB PHE 41 6.202 8.044 -0.711 343 HD1 PHE 41 2HD PHE 41 4.559 7.062 0.842 344 HD2 PHE 41 1HD PHE 41 7.224 4.645 -1.410 345 HE1 PHE 41 2HE PHE 41 4.120 5.183 2.345 346 HE2 PHE 41 1HE PHE 41 6.786 2.753 0.094 347 HZ PHE 41 HZ PHE 41 5.225 3.029 1.979 348 H LYS 42 H LYS 42 4.920 9.685 -1.739 349 HA LYS 42 HA LYS 42 6.471 10.755 -3.977 350 HB2 LYS 42 2HB LYS 42 4.053 11.260 -4.318 351 HB3 LYS 42 1HB LYS 42 3.996 11.986 -2.718 352 HG2 LYS 42 2HG LYS 42 5.680 13.668 -3.497 353 HG3 LYS 42 1HG LYS 42 5.537 12.988 -5.118 354 HD2 LYS 42 2HD LYS 42 3.142 13.519 -5.123 355 HD3 LYS 42 1HD LYS 42 3.288 14.198 -3.503 356 HE2 LYS 42 2HE LYS 42 3.301 16.031 -5.036 357 HE3 LYS 42 1HE LYS 42 4.937 15.838 -4.431 358 HZ1 LYS 42 3HZ LYS 42 4.891 16.249 -6.802 359 HZ2 LYS 42 1HZ LYS 42 3.983 14.867 -7.090 360 HZ3 LYS 42 2HZ LYS 42 5.588 14.796 -6.498 361 H ASP 43 H ASP 43 8.184 11.708 -3.170 362 HA ASP 43 HA ASP 43 8.385 12.243 -0.367 363 HB2 ASP 43 2HB ASP 43 10.349 11.500 -1.659 364 HB3 ASP 43 1HB ASP 43 10.254 12.957 -2.640 365 HA PRO 44 HA PRO 44 6.404 16.196 -1.039 366 HB2 PRO 44 2HB PRO 44 7.134 16.954 1.633 367 HB3 PRO 44 1HB PRO 44 5.537 16.588 0.986 368 HG2 PRO 44 2HG PRO 44 6.749 14.950 2.769 369 HG3 PRO 44 1HG PRO 44 5.675 14.363 1.488 370 HD2 PRO 44 2HD PRO 44 8.665 14.351 1.573 371 HD3 PRO 44 1HD PRO 44 7.512 13.100 1.047 372 H GLU 45 H GLU 45 9.668 15.906 -0.025 373 HA GLU 45 HA GLU 45 10.000 18.785 -0.171 374 HB2 GLU 45 2HB GLU 45 11.873 16.638 0.787 375 HB3 GLU 45 1HB GLU 45 12.281 18.353 0.729 376 HG2 GLU 45 2HG GLU 45 10.439 18.866 2.234 377 HG3 GLU 45 1HG GLU 45 9.987 17.168 2.266 378 H THR 46 H THR 46 11.340 15.894 -1.676 379 HA THR 46 HA THR 46 12.643 17.545 -3.644 380 HB THR 46 HB THR 46 13.205 15.344 -4.764 381 HG1 THR 46 1HG THR 46 11.964 14.293 -2.429 382 HG21 THR 46 3HG2 THR 46 14.763 16.358 -3.169 383 HG22 THR 46 1HG2 THR 46 14.784 14.601 -3.024 384 HG23 THR 46 2HG2 THR 46 13.921 15.575 -1.835 385 H GLY 47 H GLY 47 9.681 15.723 -3.330 386 HA2 GLY 47 2HA GLY 47 7.735 16.394 -4.415 387 HA3 GLY 47 1HA GLY 47 8.742 17.076 -5.684 388 H LYS 48 H LYS 48 10.098 14.204 -5.250 389 HA LYS 48 HA LYS 48 8.667 13.296 -7.616 390 HB2 LYS 48 2HB LYS 48 10.556 11.750 -7.982 391 HB3 LYS 48 1HB LYS 48 11.007 13.444 -7.963 392 HG2 LYS 48 2HG LYS 48 11.921 13.217 -5.749 393 HG3 LYS 48 1HG LYS 48 11.359 11.544 -5.658 394 HD2 LYS 48 2HD LYS 48 12.794 10.948 -7.533 395 HD3 LYS 48 1HD LYS 48 13.339 12.621 -7.661 396 HE2 LYS 48 2HE LYS 48 14.356 12.506 -5.488 397 HE3 LYS 48 1HE LYS 48 13.695 10.895 -5.220 398 HZ1 LYS 48 3HZ LYS 48 15.028 10.085 -7.050 399 HZ2 LYS 48 1HZ LYS 48 16.008 10.794 -5.891 400 HZ3 LYS 48 2HZ LYS 48 15.664 11.612 -7.322 401 H TYR 49 H TYR 49 8.105 11.178 -8.002 402 HA TYR 49 HA TYR 49 7.079 9.798 -5.669 403 HB2 TYR 49 2HB TYR 49 6.544 9.593 -8.618 404 HB3 TYR 49 1HB TYR 49 6.069 8.309 -7.520 405 HD1 TYR 49 1HD TYR 49 5.580 11.883 -8.308 406 HD2 TYR 49 2HD TYR 49 4.151 8.488 -6.203 407 HE1 TYR 49 1HE TYR 49 3.504 13.070 -7.797 408 HE2 TYR 49 2HE TYR 49 2.066 9.664 -5.688 409 HH TYR 49 HH TYR 49 1.284 12.003 -5.480 410 H PHE 50 H PHE 50 7.852 7.959 -4.955 411 HA PHE 50 HA PHE 50 9.718 6.506 -6.655 412 HB2 PHE 50 2HB PHE 50 11.328 6.242 -4.838 413 HB3 PHE 50 1HB PHE 50 11.074 7.948 -5.146 414 HD1 PHE 50 2HD PHE 50 9.413 9.174 -3.525 415 HD2 PHE 50 1HD PHE 50 11.192 5.393 -2.702 416 HE1 PHE 50 2HE PHE 50 8.991 9.495 -1.116 417 HE2 PHE 50 1HE PHE 50 10.770 5.709 -0.304 418 HZ PHE 50 HZ PHE 50 9.681 7.749 0.496 419 H ARG 51 H ARG 51 9.515 4.307 -6.449 420 HA ARG 51 HA ARG 51 7.453 3.462 -4.636 421 HB2 ARG 51 2HB ARG 51 7.425 1.407 -5.922 422 HB3 ARG 51 1HB ARG 51 7.148 2.788 -6.964 423 HG2 ARG 51 2HG ARG 51 9.574 2.597 -7.632 424 HG3 ARG 51 1HG ARG 51 9.604 1.077 -6.730 425 HD2 ARG 51 2HD ARG 51 7.727 0.253 -8.115 426 HD3 ARG 51 1HD ARG 51 7.797 1.736 -9.060 427 HE ARG 51 HE ARG 51 9.974 -0.227 -8.881 428 HH11 ARG 51 1HH1 ARG 51 8.135 2.133 -10.800 429 HH12 ARG 51 2HH1 ARG 51 8.828 1.708 -12.281 430 HH21 ARG 51 1HH2 ARG 51 10.911 -0.853 -10.942 431 HH22 ARG 51 2HH2 ARG 51 10.468 -0.036 -12.368 432 H HIS 52 H HIS 52 7.877 2.299 -2.921 433 HA HIS 52 HA HIS 52 10.682 1.520 -2.482 434 HB2 HIS 52 2HB HIS 52 10.064 3.770 -1.465 435 HB3 HIS 52 1HB HIS 52 8.933 2.906 -0.440 436 HD1 HIS 52 1HD HIS 52 10.154 1.054 1.246 437 HD2 HIS 52 2HD HIS 52 12.570 3.964 -0.492 438 HE1 HIS 52 1HE HIS 52 12.191 1.147 2.648 439 HE2 HIS 52 2HE HIS 52 13.765 2.607 1.324 440 H LYS 53 H LYS 53 10.885 -0.309 -1.241 441 HA LYS 53 HA LYS 53 8.702 -2.069 -1.123 442 HB2 LYS 53 2HB LYS 53 11.041 -2.823 -1.319 443 HB3 LYS 53 1HB LYS 53 11.379 -2.197 0.287 444 HG2 LYS 53 2HG LYS 53 9.734 -3.761 1.219 445 HG3 LYS 53 1HG LYS 53 9.487 -4.423 -0.393 446 HD2 LYS 53 2HD LYS 53 11.784 -5.152 -0.480 447 HD3 LYS 53 1HD LYS 53 12.112 -4.384 1.079 448 HE2 LYS 53 2HE LYS 53 10.174 -6.645 0.585 449 HE3 LYS 53 1HE LYS 53 11.756 -6.786 1.354 450 HZ1 LYS 53 3HZ LYS 53 9.467 -5.191 2.406 451 HZ2 LYS 53 1HZ LYS 53 10.972 -5.342 3.130 452 HZ3 LYS 53 2HZ LYS 53 9.965 -6.678 2.994 453 H LEU 54 H LEU 54 7.516 -2.736 0.626 454 HA LEU 54 HA LEU 54 7.420 -0.861 2.875 455 HB2 LEU 54 2HB LEU 54 5.339 -2.936 2.246 456 HB3 LEU 54 1HB LEU 54 5.202 -1.517 3.190 457 HG LEU 54 HG LEU 54 5.498 -1.396 0.194 458 HD11 LEU 54 1HD1 LEU 54 3.079 -1.052 1.937 459 HD12 LEU 54 2HD1 LEU 54 3.387 -2.400 0.847 460 HD13 LEU 54 3HD1 LEU 54 3.155 -0.774 0.196 461 HD21 LEU 54 3HD2 LEU 54 4.858 0.905 0.502 462 HD22 LEU 54 1HD2 LEU 54 6.360 0.540 1.357 463 HD23 LEU 54 2HD2 LEU 54 4.836 0.676 2.256 464 HA PRO 55 HA PRO 55 8.582 -4.115 5.739 465 HB2 PRO 55 2HB PRO 55 6.127 -3.599 7.333 466 HB3 PRO 55 1HB PRO 55 7.807 -3.422 7.832 467 HG2 PRO 55 2HG PRO 55 6.335 -1.260 7.418 468 HG3 PRO 55 1HG PRO 55 8.012 -1.309 6.828 469 HD2 PRO 55 2HD PRO 55 5.481 -1.883 5.322 470 HD3 PRO 55 1HD PRO 55 6.734 -0.782 4.803 471 H ASP 56 H ASP 56 8.150 -6.292 5.989 472 HA ASP 56 HA ASP 56 6.387 -7.601 4.305 473 HB2 ASP 56 2HB ASP 56 8.278 -8.736 5.197 474 HB3 ASP 56 1HB ASP 56 7.621 -8.518 6.818 475 H ASP 57 H ASP 57 5.944 -6.764 7.652 476 HA ASP 57 HA ASP 57 3.421 -8.180 7.821 477 HB2 ASP 57 2HB ASP 57 5.070 -8.346 9.631 478 HB3 ASP 57 1HB ASP 57 4.985 -6.611 9.888 479 H TYR 58 H TYR 58 4.140 -5.347 6.457 480 HA TYR 58 HA TYR 58 2.343 -3.612 7.806 481 HB2 TYR 58 2HB TYR 58 4.188 -2.626 6.604 482 HB3 TYR 58 1HB TYR 58 3.672 -3.395 5.103 483 HD1 TYR 58 2HD TYR 58 2.593 -0.891 7.645 484 HD2 TYR 58 1HD TYR 58 2.246 -2.289 3.659 485 HE1 TYR 58 2HE TYR 58 1.166 1.059 7.086 486 HE2 TYR 58 1HE TYR 58 0.835 -0.373 3.085 487 HH TYR 58 HH TYR 58 0.402 2.350 5.039 488 HA PRO 59 HA PRO 59 -1.229 -5.325 5.706 489 HB2 PRO 59 2HB PRO 59 -2.818 -3.254 6.868 490 HB3 PRO 59 1HB PRO 59 -2.796 -4.960 7.299 491 HG2 PRO 59 2HG PRO 59 -1.884 -2.960 8.942 492 HG3 PRO 59 1HG PRO 59 -1.321 -4.638 9.021 493 HD2 PRO 59 2HD PRO 59 -0.028 -2.251 7.785 494 HD3 PRO 59 1HD PRO 59 0.689 -3.635 8.644 495 H ILE 60 H ILE 60 -1.310 -4.847 3.647 496 HA ILE 60 HA ILE 60 -1.413 -2.076 2.870 497 HB ILE 60 HB ILE 60 -1.079 -2.907 0.507 498 HG12 ILE 60 2HG1 ILE 60 -0.446 -5.508 1.897 499 HG13 ILE 60 1HG1 ILE 60 -1.854 -5.270 0.856 500 HG21 ILE 60 1HG2 ILE 60 0.728 -2.024 1.786 501 HG22 ILE 60 2HG2 ILE 60 1.318 -3.438 0.902 502 HG23 ILE 60 3HG2 ILE 60 0.932 -3.559 2.623 503 HD11 ILE 60 3HD1 ILE 60 -0.049 -6.433 -0.321 504 HD12 ILE 60 1HD1 ILE 60 1.040 -5.092 0.049 505 HD13 ILE 60 2HD1 ILE 60 -0.328 -4.835 -1.028 Start of MODEL 10 1 H1 MET 1 1HT MET 1 -5.788 13.958 5.484 2 H2 MET 1 2HT MET 1 -5.013 13.169 6.748 3 H3 MET 1 3HT MET 1 -4.399 14.602 6.171 4 HA MET 1 HA MET 1 -5.509 14.851 8.285 5 HB2 MET 1 2HB MET 1 -5.455 16.776 6.785 6 HB3 MET 1 1HB MET 1 -6.899 16.212 5.961 7 HG2 MET 1 2HG MET 1 -7.395 18.051 7.460 8 HG3 MET 1 1HG MET 1 -8.191 16.573 7.999 9 HE1 MET 1 2HE MET 1 -7.678 19.268 9.781 10 HE2 MET 1 3HE MET 1 -7.319 18.493 11.325 11 HE3 MET 1 1HE MET 1 -8.612 17.866 10.305 12 H SER 2 H SER 2 -7.964 14.141 5.751 13 HA SER 2 HA SER 2 -9.241 12.386 7.692 14 HB2 SER 2 2HB SER 2 -10.655 14.505 6.052 15 HB3 SER 2 1HB SER 2 -11.465 13.279 7.031 16 HG SER 2 HG SER 2 -9.600 14.449 8.499 17 H SER 3 H SER 3 -7.527 12.185 5.192 18 HA SER 3 HA SER 3 -9.208 11.029 3.218 19 HB2 SER 3 2HB SER 3 -6.859 10.474 2.290 20 HB3 SER 3 1HB SER 3 -7.324 12.175 2.395 21 HG SER 3 HG SER 3 -5.226 11.771 3.251 22 H GLY 4 H GLY 4 -7.253 9.988 5.890 23 HA2 GLY 4 2HA GLY 4 -7.586 7.946 7.023 24 HA3 GLY 4 1HA GLY 4 -8.295 7.276 5.549 25 H LYS 5 H LYS 5 -7.076 5.712 4.799 26 HA LYS 5 HA LYS 5 -5.337 4.600 3.874 27 HB2 LYS 5 2HB LYS 5 -3.954 7.277 4.041 28 HB3 LYS 5 1HB LYS 5 -3.289 5.858 3.252 29 HG2 LYS 5 2HG LYS 5 -4.849 5.960 1.510 30 HG3 LYS 5 1HG LYS 5 -5.915 7.037 2.421 31 HD2 LYS 5 2HD LYS 5 -4.317 8.837 2.269 32 HD3 LYS 5 1HD LYS 5 -3.132 7.774 1.512 33 HE2 LYS 5 2HE LYS 5 -5.812 8.301 0.274 34 HE3 LYS 5 1HE LYS 5 -4.446 9.374 0.026 35 HZ1 LYS 5 3HZ LYS 5 -4.338 6.475 -0.572 36 HZ2 LYS 5 1HZ LYS 5 -3.208 7.672 -0.974 37 HZ3 LYS 5 2HZ LYS 5 -4.735 7.658 -1.703 38 H LYS 6 H LYS 6 -2.786 4.238 4.314 39 HA LYS 6 HA LYS 6 -2.380 4.280 7.215 40 HB2 LYS 6 2HB LYS 6 -2.044 1.961 5.324 41 HB3 LYS 6 1HB LYS 6 -1.202 2.026 6.861 42 HG2 LYS 6 2HG LYS 6 -4.194 2.194 6.602 43 HG3 LYS 6 1HG LYS 6 -3.314 0.680 6.834 44 HD2 LYS 6 2HD LYS 6 -2.357 1.588 8.926 45 HD3 LYS 6 1HD LYS 6 -3.301 3.062 8.701 46 HE2 LYS 6 2HE LYS 6 -5.351 1.838 8.886 47 HE3 LYS 6 1HE LYS 6 -4.482 0.306 8.922 48 HZ1 LYS 6 3HZ LYS 6 -3.503 0.966 11.026 49 HZ2 LYS 6 1HZ LYS 6 -5.182 0.989 11.123 50 HZ3 LYS 6 2HZ LYS 6 -4.333 2.432 10.994 51 HA PRO 7 HA PRO 7 1.452 5.897 5.532 52 HB2 PRO 7 2HB PRO 7 2.069 7.367 7.793 53 HB3 PRO 7 1HB PRO 7 1.126 7.954 6.420 54 HG2 PRO 7 2HG PRO 7 0.220 7.337 9.104 55 HG3 PRO 7 1HG PRO 7 -0.614 8.171 7.783 56 HD2 PRO 7 2HD PRO 7 -0.961 5.435 8.681 57 HD3 PRO 7 1HD PRO 7 -1.854 6.357 7.450 58 H VAL 8 H VAL 8 3.648 5.583 6.098 59 HA VAL 8 HA VAL 8 4.190 3.878 8.391 60 HB VAL 8 HB VAL 8 3.759 2.379 6.366 61 HG11 VAL 8 1HG1 VAL 8 6.146 3.724 5.190 62 HG12 VAL 8 2HG1 VAL 8 4.483 3.795 4.607 63 HG13 VAL 8 3HG1 VAL 8 5.367 2.268 4.573 64 HG21 VAL 8 3HG2 VAL 8 5.783 1.009 6.604 65 HG22 VAL 8 1HG2 VAL 8 5.200 1.579 8.169 66 HG23 VAL 8 2HG2 VAL 8 6.591 2.354 7.410 67 H LYS 9 H LYS 9 6.393 4.108 9.104 68 HA LYS 9 HA LYS 9 7.696 6.486 8.280 69 HB2 LYS 9 2HB LYS 9 8.503 4.185 10.050 70 HB3 LYS 9 1HB LYS 9 9.594 5.510 9.684 71 HG2 LYS 9 2HG LYS 9 8.006 7.076 10.690 72 HG3 LYS 9 1HG LYS 9 6.933 5.726 11.061 73 HD2 LYS 9 2HD LYS 9 8.506 4.782 12.567 74 HD3 LYS 9 1HD LYS 9 9.773 5.890 12.036 75 HE2 LYS 9 2HE LYS 9 7.224 6.733 13.408 76 HE3 LYS 9 1HE LYS 9 8.758 6.484 14.242 77 HZ1 LYS 9 3HZ LYS 9 8.192 8.508 12.118 78 HZ2 LYS 9 1HZ LYS 9 9.713 8.235 12.804 79 HZ3 LYS 9 2HZ LYS 9 8.460 8.805 13.754 80 H VAL 10 H VAL 10 8.698 6.586 6.384 81 HA VAL 10 HA VAL 10 10.164 4.230 5.508 82 HB VAL 10 HB VAL 10 8.045 4.314 4.316 83 HG11 VAL 10 1HG1 VAL 10 8.891 7.026 3.341 84 HG12 VAL 10 2HG1 VAL 10 7.532 6.655 4.398 85 HG13 VAL 10 3HG1 VAL 10 7.522 6.105 2.720 86 HG21 VAL 10 3HG2 VAL 10 9.915 3.399 3.127 87 HG22 VAL 10 1HG2 VAL 10 10.383 5.002 2.550 88 HG23 VAL 10 2HG2 VAL 10 8.866 4.268 2.010 89 H LYS 11 H LYS 11 12.061 4.614 4.619 90 HA LYS 11 HA LYS 11 13.083 7.291 4.951 91 HB2 LYS 11 2HB LYS 11 15.318 6.300 4.469 92 HB3 LYS 11 1HB LYS 11 14.491 5.517 5.806 93 HG2 LYS 11 2HG LYS 11 13.893 3.681 4.398 94 HG3 LYS 11 1HG LYS 11 14.656 4.445 3.001 95 HD2 LYS 11 2HD LYS 11 16.278 2.907 3.737 96 HD3 LYS 11 1HD LYS 11 16.802 4.423 4.449 97 HE2 LYS 11 2HE LYS 11 15.245 2.253 5.880 98 HE3 LYS 11 1HE LYS 11 16.976 2.503 6.008 99 HZ1 LYS 11 3HZ LYS 11 14.801 4.254 7.082 100 HZ2 LYS 11 1HZ LYS 11 16.422 4.755 6.980 101 HZ3 LYS 11 2HZ LYS 11 15.980 3.425 7.882 102 H THR 12 H THR 12 13.315 8.712 3.429 103 HA THR 12 HA THR 12 12.407 7.911 0.817 104 HB THR 12 HB THR 12 11.951 10.223 0.438 105 HG1 THR 12 1HG THR 12 13.050 11.642 1.185 106 HG21 THR 12 3HG2 THR 12 10.557 10.853 2.343 107 HG22 THR 12 1HG2 THR 12 11.345 9.618 3.329 108 HG23 THR 12 2HG2 THR 12 10.367 9.147 1.936 109 HA PRO 13 HA PRO 13 16.297 8.357 -1.315 110 HB2 PRO 13 2HB PRO 13 15.126 10.431 -3.080 111 HB3 PRO 13 1HB PRO 13 15.845 8.871 -3.492 112 HG2 PRO 13 2HG PRO 13 13.201 9.248 -3.611 113 HG3 PRO 13 1HG PRO 13 13.899 7.704 -3.079 114 HD2 PRO 13 2HD PRO 13 12.721 9.922 -1.477 115 HD3 PRO 13 1HD PRO 13 12.568 8.158 -1.275 116 H ALA 14 H ALA 14 14.663 11.330 -0.337 117 HA ALA 14 HA ALA 14 16.924 13.012 -0.659 118 HB1 ALA 14 1HB ALA 14 14.653 13.893 -0.554 119 HB2 ALA 14 2HB ALA 14 15.699 14.647 0.655 120 HB3 ALA 14 3HB ALA 14 14.543 13.397 1.131 121 H GLY 15 H GLY 15 15.954 10.825 1.880 122 HA2 GLY 15 2HA GLY 15 17.977 10.090 3.120 123 HA3 GLY 15 1HA GLY 15 18.317 11.788 3.361 124 H LYS 16 H LYS 16 15.135 11.795 3.805 125 HA LYS 16 HA LYS 16 15.575 11.317 6.654 126 HB2 LYS 16 2HB LYS 16 13.807 12.848 7.227 127 HB3 LYS 16 1HB LYS 16 14.862 13.653 6.096 128 HG2 LYS 16 2HG LYS 16 12.196 12.421 5.384 129 HG3 LYS 16 1HG LYS 16 12.422 14.110 5.807 130 HD2 LYS 16 2HD LYS 16 13.613 12.676 3.419 131 HD3 LYS 16 1HD LYS 16 12.263 13.795 3.390 132 HE2 LYS 16 2HE LYS 16 15.103 14.464 4.171 133 HE3 LYS 16 1HE LYS 16 14.330 14.870 2.648 134 HZ1 LYS 16 3HZ LYS 16 14.264 16.770 3.937 135 HZ2 LYS 16 1HZ LYS 16 13.738 15.979 5.333 136 HZ3 LYS 16 2HZ LYS 16 12.681 16.179 4.053 137 H GLU 17 H GLU 17 13.903 10.318 7.927 138 HA GLU 17 HA GLU 17 12.288 8.559 6.278 139 HB2 GLU 17 2HB GLU 17 14.096 7.420 7.567 140 HB3 GLU 17 1HB GLU 17 13.377 8.037 9.046 141 HG2 GLU 17 2HG GLU 17 11.383 6.751 8.681 142 HG3 GLU 17 1HG GLU 17 11.964 6.298 7.082 143 H ALA 18 H ALA 18 10.371 9.273 6.246 144 HA ALA 18 HA ALA 18 9.212 10.460 8.670 145 HB1 ALA 18 1HB ALA 18 8.847 11.361 5.813 146 HB2 ALA 18 2HB ALA 18 9.743 12.224 7.063 147 HB3 ALA 18 3HB ALA 18 7.996 12.015 7.211 148 H GLU 19 H GLU 19 6.833 10.368 8.594 149 HA GLU 19 HA GLU 19 6.053 7.781 7.601 150 HB2 GLU 19 2HB GLU 19 4.349 9.814 9.066 151 HB3 GLU 19 1HB GLU 19 3.864 8.184 8.654 152 HG2 GLU 19 2HG GLU 19 4.399 8.115 10.914 153 HG3 GLU 19 1HG GLU 19 5.784 7.403 10.103 154 H LEU 20 H LEU 20 5.728 7.683 5.578 155 HA LEU 20 HA LEU 20 4.081 9.744 4.288 156 HB2 LEU 20 2HB LEU 20 6.039 7.812 3.039 157 HB3 LEU 20 1HB LEU 20 4.997 8.897 2.151 158 HG LEU 20 HG LEU 20 7.235 9.764 3.989 159 HD11 LEU 20 1HD1 LEU 20 8.039 8.657 1.966 160 HD12 LEU 20 2HD1 LEU 20 8.348 10.394 1.911 161 HD13 LEU 20 3HD1 LEU 20 7.022 9.708 0.981 162 HD21 LEU 20 3HD2 LEU 20 6.858 11.957 2.986 163 HD22 LEU 20 1HD2 LEU 20 5.418 11.408 3.855 164 HD23 LEU 20 2HD2 LEU 20 5.490 11.309 2.088 165 H VAL 21 H VAL 21 2.537 8.928 2.758 166 HA VAL 21 HA VAL 21 1.680 6.285 3.521 167 HB VAL 21 HB VAL 21 0.222 8.078 4.221 168 HG11 VAL 21 1HG1 VAL 21 -1.065 9.427 2.640 169 HG12 VAL 21 2HG1 VAL 21 -0.053 8.818 1.323 170 HG13 VAL 21 3HG1 VAL 21 0.662 9.783 2.621 171 HG21 VAL 21 3HG2 VAL 21 -0.787 5.967 3.726 172 HG22 VAL 21 1HG2 VAL 21 -0.942 6.403 2.021 173 HG23 VAL 21 2HG2 VAL 21 -1.863 7.279 3.246 174 HA PRO 22 HA PRO 22 2.470 5.328 -0.725 175 HB2 PRO 22 2HB PRO 22 1.523 2.769 -0.696 176 HB3 PRO 22 1HB PRO 22 3.125 3.222 -0.113 177 HG2 PRO 22 2HG PRO 22 0.693 2.535 1.420 178 HG3 PRO 22 1HG PRO 22 2.404 2.350 1.833 179 HD2 PRO 22 2HD PRO 22 0.704 4.353 2.783 180 HD3 PRO 22 1HD PRO 22 2.472 4.362 2.866 181 H GLU 23 H GLU 23 1.336 5.944 -2.251 182 HA GLU 23 HA GLU 23 -1.487 6.322 -2.181 183 HB2 GLU 23 2HB GLU 23 0.669 6.770 -4.179 184 HB3 GLU 23 1HB GLU 23 -0.980 7.106 -4.627 185 HG2 GLU 23 2HG GLU 23 0.571 8.334 -2.345 186 HG3 GLU 23 1HG GLU 23 0.167 9.118 -3.874 187 H LYS 24 H LYS 24 0.650 4.096 -3.712 188 HA LYS 24 HA LYS 24 -1.652 2.435 -4.429 189 HB2 LYS 24 2HB LYS 24 -0.804 3.598 -6.458 190 HB3 LYS 24 1HB LYS 24 0.784 2.903 -6.176 191 HG2 LYS 24 2HG LYS 24 -0.163 0.662 -6.473 192 HG3 LYS 24 1HG LYS 24 -1.741 1.392 -6.772 193 HD2 LYS 24 2HD LYS 24 -0.804 2.571 -8.721 194 HD3 LYS 24 1HD LYS 24 0.747 1.793 -8.419 195 HE2 LYS 24 2HE LYS 24 -0.523 0.641 -10.176 196 HE3 LYS 24 1HE LYS 24 -0.238 -0.397 -8.782 197 HZ1 LYS 24 3HZ LYS 24 -2.483 -0.595 -9.625 198 HZ2 LYS 24 1HZ LYS 24 -2.773 1.049 -9.360 199 HZ3 LYS 24 2HZ LYS 24 -2.507 0.000 -8.061 200 H VAL 25 H VAL 25 -1.338 0.281 -3.894 201 HA VAL 25 HA VAL 25 1.342 -0.465 -2.977 202 HB VAL 25 HB VAL 25 0.316 -1.823 -1.164 203 HG11 VAL 25 1HG1 VAL 25 -0.313 0.017 0.334 204 HG12 VAL 25 2HG1 VAL 25 -0.437 1.091 -1.061 205 HG13 VAL 25 3HG1 VAL 25 1.123 0.400 -0.619 206 HG21 VAL 25 3HG2 VAL 25 -2.041 -1.445 -0.529 207 HG22 VAL 25 1HG2 VAL 25 -1.883 -2.193 -2.122 208 HG23 VAL 25 2HG2 VAL 25 -2.254 -0.473 -1.984 209 H TRP 26 H TRP 26 2.046 -2.475 -3.565 210 HA TRP 26 HA TRP 26 0.175 -4.398 -4.589 211 HB2 TRP 26 2HB TRP 26 1.398 -4.716 -6.732 212 HB3 TRP 26 1HB TRP 26 0.623 -3.151 -6.625 213 HD1 TRP 26 HD TRP 26 3.935 -4.766 -7.261 214 HE1 TRP 26 1HE TRP 26 5.735 -2.945 -7.687 215 HE3 TRP 26 3HE TRP 26 1.363 -0.685 -5.757 216 HZ2 TRP 26 2HZ TRP 26 5.992 -0.172 -7.451 217 HZ3 TRP 26 3HZ TRP 26 2.430 1.537 -5.890 218 HH2 TRP 26 HH TRP 26 4.688 1.786 -6.706 219 H ALA 27 H ALA 27 1.125 -6.511 -4.846 220 HA ALA 27 HA ALA 27 3.567 -6.782 -3.260 221 HB1 ALA 27 1HB ALA 27 1.223 -8.683 -3.339 222 HB2 ALA 27 2HB ALA 27 1.600 -7.561 -2.031 223 HB3 ALA 27 3HB ALA 27 2.702 -8.887 -2.399 224 H LEU 28 H LEU 28 5.096 -8.023 -3.989 225 HA LEU 28 HA LEU 28 4.742 -9.322 -6.601 226 HB2 LEU 28 2HB LEU 28 7.210 -8.244 -5.248 227 HB3 LEU 28 1HB LEU 28 7.316 -9.240 -6.663 228 HG LEU 28 HG LEU 28 5.968 -7.401 -7.846 229 HD11 LEU 28 1HD1 LEU 28 6.106 -5.176 -6.865 230 HD12 LEU 28 2HD1 LEU 28 6.759 -5.876 -5.381 231 HD13 LEU 28 3HD1 LEU 28 5.118 -6.267 -5.893 232 HD21 LEU 28 3HD2 LEU 28 8.725 -6.782 -6.797 233 HD22 LEU 28 1HD2 LEU 28 7.958 -6.019 -8.188 234 HD23 LEU 28 2HD2 LEU 28 8.336 -7.740 -8.228 235 H ALA 29 H ALA 29 4.146 -11.333 -6.053 236 HA ALA 29 HA ALA 29 5.740 -12.702 -4.010 237 HB1 ALA 29 1HB ALA 29 3.876 -14.258 -3.790 238 HB2 ALA 29 2HB ALA 29 3.016 -13.423 -5.083 239 HB3 ALA 29 3HB ALA 29 3.327 -12.596 -3.557 240 HA PRO 30 HA PRO 30 7.147 -14.857 -7.765 241 HB2 PRO 30 2HB PRO 30 9.647 -15.288 -6.385 242 HB3 PRO 30 1HB PRO 30 9.353 -14.264 -7.788 243 HG2 PRO 30 2HG PRO 30 10.019 -13.310 -5.311 244 HG3 PRO 30 1HG PRO 30 9.102 -12.384 -6.516 245 HD2 PRO 30 2HD PRO 30 8.110 -13.903 -4.133 246 HD3 PRO 30 1HD PRO 30 7.607 -12.317 -4.760 247 H LYS 31 H LYS 31 7.662 -17.055 -8.024 248 HA LYS 31 HA LYS 31 6.467 -18.670 -6.013 249 HB2 LYS 31 2HB LYS 31 7.810 -19.436 -8.604 250 HB3 LYS 31 1HB LYS 31 6.830 -20.509 -7.602 251 HG2 LYS 31 2HG LYS 31 4.890 -19.119 -7.936 252 HG3 LYS 31 1HG LYS 31 5.842 -17.955 -8.850 253 HD2 LYS 31 2HD LYS 31 6.266 -19.683 -10.549 254 HD3 LYS 31 1HD LYS 31 5.269 -20.809 -9.628 255 HE2 LYS 31 2HE LYS 31 3.348 -19.299 -9.856 256 HE3 LYS 31 1HE LYS 31 4.344 -18.179 -10.782 257 HZ1 LYS 31 3HZ LYS 31 3.676 -20.956 -11.577 258 HZ2 LYS 31 1HZ LYS 31 4.607 -19.875 -12.477 259 HZ3 LYS 31 2HZ LYS 31 2.984 -19.558 -12.207 260 H GLY 32 H GLY 32 7.370 -19.792 -4.478 261 HA2 GLY 32 2HA GLY 32 9.092 -21.081 -3.487 262 HA3 GLY 32 1HA GLY 32 10.250 -20.282 -4.544 263 H ARG 33 H ARG 33 8.603 -17.741 -3.779 264 HA ARG 33 HA ARG 33 10.088 -17.296 -1.296 265 HB2 ARG 33 2HB ARG 33 9.769 -15.432 -3.646 266 HB3 ARG 33 1HB ARG 33 10.194 -14.831 -2.056 267 HG2 ARG 33 2HG ARG 33 12.216 -15.049 -3.314 268 HG3 ARG 33 1HG ARG 33 12.203 -16.338 -2.115 269 HD2 ARG 33 2HD ARG 33 11.301 -17.845 -3.925 270 HD3 ARG 33 1HD ARG 33 11.622 -16.541 -5.066 271 HE ARG 33 HE ARG 33 13.880 -17.204 -3.475 272 HH11 ARG 33 1HH1 ARG 33 12.080 -18.173 -6.391 273 HH12 ARG 33 2HH1 ARG 33 13.402 -19.009 -7.075 274 HH21 ARG 33 1HH2 ARG 33 15.690 -18.385 -4.495 275 HH22 ARG 33 2HH2 ARG 33 15.432 -19.121 -6.007 276 H LYS 34 H LYS 34 9.214 -15.646 0.119 277 HA LYS 34 HA LYS 34 6.443 -16.041 0.541 278 HB2 LYS 34 2HB LYS 34 6.679 -14.468 2.407 279 HB3 LYS 34 1HB LYS 34 7.987 -15.641 2.411 280 HG2 LYS 34 2HG LYS 34 9.502 -13.999 1.488 281 HG3 LYS 34 1HG LYS 34 8.187 -12.840 1.327 282 HD2 LYS 34 2HD LYS 34 7.906 -12.872 3.776 283 HD3 LYS 34 1HD LYS 34 9.275 -13.981 3.887 284 HE2 LYS 34 2HE LYS 34 10.010 -11.725 4.348 285 HE3 LYS 34 1HE LYS 34 10.706 -12.293 2.835 286 HZ1 LYS 34 3HZ LYS 34 8.909 -10.992 1.655 287 HZ2 LYS 34 1HZ LYS 34 9.944 -10.035 2.601 288 HZ3 LYS 34 2HZ LYS 34 8.421 -10.424 3.160 289 H GLY 35 H GLY 35 8.295 -13.477 -0.938 290 HA2 GLY 35 2HA GLY 35 7.260 -12.122 -2.610 291 HA3 GLY 35 1HA GLY 35 5.769 -12.193 -1.674 292 H VAL 36 H VAL 36 6.832 -9.840 -2.548 293 HA VAL 36 HA VAL 36 7.533 -8.559 -0.010 294 HB VAL 36 HB VAL 36 8.809 -6.831 -1.312 295 HG11 VAL 36 1HG1 VAL 36 10.841 -8.169 -1.623 296 HG12 VAL 36 2HG1 VAL 36 9.875 -9.641 -1.487 297 HG13 VAL 36 3HG1 VAL 36 10.012 -8.545 -0.114 298 HG21 VAL 36 3HG2 VAL 36 9.630 -7.398 -3.561 299 HG22 VAL 36 1HG2 VAL 36 7.878 -7.196 -3.514 300 HG23 VAL 36 2HG2 VAL 36 8.578 -8.815 -3.569 301 H LYS 37 H LYS 37 6.819 -6.356 0.122 302 HA LYS 37 HA LYS 37 4.443 -5.842 -1.526 303 HB2 LYS 37 2HB LYS 37 5.065 -5.090 1.340 304 HB3 LYS 37 1HB LYS 37 3.685 -4.465 0.459 305 HG2 LYS 37 2HG LYS 37 2.827 -6.785 0.256 306 HG3 LYS 37 1HG LYS 37 4.196 -7.345 1.216 307 HD2 LYS 37 2HD LYS 37 3.475 -6.063 3.116 308 HD3 LYS 37 1HD LYS 37 2.221 -5.273 2.169 309 HE2 LYS 37 2HE LYS 37 1.184 -6.945 3.528 310 HE3 LYS 37 1HE LYS 37 1.139 -7.492 1.859 311 HZ1 LYS 37 3HZ LYS 37 1.722 -9.300 3.251 312 HZ2 LYS 37 1HZ LYS 37 2.944 -8.440 4.015 313 HZ3 LYS 37 2HZ LYS 37 3.110 -8.900 2.396 314 H ILE 38 H ILE 38 4.407 -3.831 -2.527 315 HA ILE 38 HA ILE 38 6.496 -1.937 -1.777 316 HB ILE 38 HB ILE 38 5.876 -2.785 -4.639 317 HG12 ILE 38 2HG1 ILE 38 8.442 -2.967 -3.048 318 HG13 ILE 38 1HG1 ILE 38 7.413 -4.343 -3.366 319 HG21 ILE 38 1HG2 ILE 38 7.617 -1.178 -5.323 320 HG22 ILE 38 2HG2 ILE 38 7.776 -0.647 -3.648 321 HG23 ILE 38 3HG2 ILE 38 6.266 -0.375 -4.519 322 HD11 ILE 38 3HD1 ILE 38 8.963 -2.707 -5.370 323 HD12 ILE 38 1HD1 ILE 38 7.880 -4.032 -5.792 324 HD13 ILE 38 2HD1 ILE 38 9.327 -4.350 -4.835 325 H GLY 39 H GLY 39 5.934 0.148 -1.925 326 HA2 GLY 39 2HA GLY 39 3.248 0.715 -2.918 327 HA3 GLY 39 1HA GLY 39 3.769 1.312 -1.346 328 H LEU 40 H LEU 40 2.965 2.739 -3.668 329 HA LEU 40 HA LEU 40 5.417 4.064 -4.510 330 HB2 LEU 40 2HB LEU 40 3.865 3.523 -6.253 331 HB3 LEU 40 1HB LEU 40 2.554 4.330 -5.449 332 HG LEU 40 HG LEU 40 3.695 6.502 -5.846 333 HD11 LEU 40 1HD1 LEU 40 5.579 6.534 -7.418 334 HD12 LEU 40 2HD1 LEU 40 5.686 4.771 -7.292 335 HD13 LEU 40 3HD1 LEU 40 5.972 5.789 -5.871 336 HD21 LEU 40 3HD2 LEU 40 3.394 4.814 -8.297 337 HD22 LEU 40 1HD2 LEU 40 3.362 6.574 -8.229 338 HD23 LEU 40 2HD2 LEU 40 2.069 5.640 -7.451 339 H PHE 41 H PHE 41 6.081 5.862 -3.654 340 HA PHE 41 HA PHE 41 4.333 7.445 -1.873 341 HB2 PHE 41 2HB PHE 41 7.286 6.849 -1.638 342 HB3 PHE 41 1HB PHE 41 6.394 7.937 -0.614 343 HD1 PHE 41 1HD PHE 41 4.874 7.046 1.073 344 HD2 PHE 41 2HD PHE 41 7.181 4.465 -1.387 345 HE1 PHE 41 1HE PHE 41 4.480 5.209 2.642 346 HE2 PHE 41 2HE PHE 41 6.777 2.610 0.177 347 HZ PHE 41 HZ PHE 41 5.425 2.989 2.203 348 H LYS 42 H LYS 42 5.582 9.640 -1.519 349 HA LYS 42 HA LYS 42 7.072 10.466 -3.878 350 HB2 LYS 42 2HB LYS 42 4.825 11.376 -4.222 351 HB3 LYS 42 1HB LYS 42 4.814 12.023 -2.586 352 HG2 LYS 42 2HG LYS 42 6.719 13.489 -3.205 353 HG3 LYS 42 1HG LYS 42 6.590 12.894 -4.859 354 HD2 LYS 42 2HD LYS 42 4.390 13.826 -5.079 355 HD3 LYS 42 1HD LYS 42 4.359 14.257 -3.367 356 HE2 LYS 42 2HE LYS 42 6.245 15.791 -3.734 357 HE3 LYS 42 1HE LYS 42 6.244 15.373 -5.445 358 HZ1 LYS 42 3HZ LYS 42 5.072 17.475 -4.881 359 HZ2 LYS 42 1HZ LYS 42 3.911 16.574 -4.062 360 HZ3 LYS 42 2HZ LYS 42 4.144 16.378 -5.722 361 H ASP 43 H ASP 43 8.838 11.551 -3.419 362 HA ASP 43 HA ASP 43 9.574 11.817 -0.643 363 HB2 ASP 43 2HB ASP 43 11.249 11.049 -2.273 364 HB3 ASP 43 1HB ASP 43 11.068 12.546 -3.173 365 HA PRO 44 HA PRO 44 7.894 15.890 -0.660 366 HB2 PRO 44 2HB PRO 44 8.432 16.547 1.898 367 HB3 PRO 44 1HB PRO 44 7.161 15.405 1.446 368 HG2 PRO 44 2HG PRO 44 9.924 14.853 2.459 369 HG3 PRO 44 1HG PRO 44 8.400 14.052 2.871 370 HD2 PRO 44 2HD PRO 44 10.221 13.041 1.106 371 HD3 PRO 44 1HD PRO 44 8.484 12.686 1.042 372 H GLU 45 H GLU 45 11.251 15.254 -0.400 373 HA GLU 45 HA GLU 45 11.773 18.102 -0.134 374 HB2 GLU 45 2HB GLU 45 12.956 16.622 1.435 375 HB3 GLU 45 1HB GLU 45 13.752 15.843 0.079 376 HG2 GLU 45 2HG GLU 45 15.002 17.768 -0.427 377 HG3 GLU 45 1HG GLU 45 14.000 18.787 0.608 378 H THR 46 H THR 46 12.432 15.409 -2.260 379 HA THR 46 HA THR 46 13.601 17.235 -4.195 380 HB THR 46 HB THR 46 13.930 15.124 -5.565 381 HG1 THR 46 1HG THR 46 13.051 13.917 -3.125 382 HG21 THR 46 3HG2 THR 46 15.730 16.048 -4.170 383 HG22 THR 46 1HG2 THR 46 15.769 14.285 -4.157 384 HG23 THR 46 2HG2 THR 46 15.107 15.161 -2.778 385 H GLY 47 H GLY 47 10.602 15.594 -3.584 386 HA2 GLY 47 2HA GLY 47 8.557 16.100 -4.468 387 HA3 GLY 47 1HA GLY 47 9.362 17.134 -5.636 388 H LYS 48 H LYS 48 10.231 13.790 -5.180 389 HA LYS 48 HA LYS 48 9.012 13.222 -7.786 390 HB2 LYS 48 2HB LYS 48 10.882 11.650 -8.214 391 HB3 LYS 48 1HB LYS 48 11.421 13.314 -8.055 392 HG2 LYS 48 2HG LYS 48 12.137 12.859 -5.759 393 HG3 LYS 48 1HG LYS 48 11.608 11.187 -5.931 394 HD2 LYS 48 2HD LYS 48 13.227 10.853 -7.726 395 HD3 LYS 48 1HD LYS 48 13.727 12.537 -7.598 396 HE2 LYS 48 2HE LYS 48 14.478 12.161 -5.310 397 HE3 LYS 48 1HE LYS 48 13.951 10.483 -5.400 398 HZ1 LYS 48 3HZ LYS 48 15.587 10.083 -7.109 399 HZ2 LYS 48 1HZ LYS 48 16.335 10.728 -5.751 400 HZ3 LYS 48 2HZ LYS 48 16.075 11.709 -7.073 401 H TYR 49 H TYR 49 8.052 11.249 -8.051 402 HA TYR 49 HA TYR 49 7.187 9.934 -5.643 403 HB2 TYR 49 2HB TYR 49 6.486 9.594 -8.556 404 HB3 TYR 49 1HB TYR 49 5.931 8.469 -7.330 405 HD1 TYR 49 2HD TYR 49 5.824 12.077 -8.277 406 HD2 TYR 49 1HD TYR 49 3.994 8.914 -6.099 407 HE1 TYR 49 2HE TYR 49 3.897 13.520 -7.801 408 HE2 TYR 49 1HE TYR 49 2.059 10.342 -5.621 409 HH TYR 49 HH TYR 49 1.562 12.753 -5.487 410 H PHE 50 H PHE 50 7.743 7.917 -4.970 411 HA PHE 50 HA PHE 50 9.599 6.425 -6.640 412 HB2 PHE 50 2HB PHE 50 11.246 6.145 -4.885 413 HB3 PHE 50 1HB PHE 50 11.004 7.861 -5.144 414 HD1 PHE 50 2HD PHE 50 9.563 9.133 -3.429 415 HD2 PHE 50 1HD PHE 50 11.002 5.177 -2.773 416 HE1 PHE 50 2HE PHE 50 9.194 9.395 -1.004 417 HE2 PHE 50 1HE PHE 50 10.637 5.438 -0.351 418 HZ PHE 50 HZ PHE 50 9.734 7.545 0.539 419 H ARG 51 H ARG 51 9.340 4.238 -6.417 420 HA ARG 51 HA ARG 51 7.370 3.406 -4.498 421 HB2 ARG 51 2HB ARG 51 7.542 1.223 -5.713 422 HB3 ARG 51 1HB ARG 51 6.933 2.554 -6.687 423 HG2 ARG 51 2HG ARG 51 9.162 2.754 -7.717 424 HG3 ARG 51 1HG ARG 51 9.713 1.397 -6.733 425 HD2 ARG 51 2HD ARG 51 8.154 -0.089 -7.806 426 HD3 ARG 51 1HD ARG 51 7.407 1.250 -8.677 427 HE ARG 51 HE ARG 51 10.129 1.170 -9.288 428 HH11 ARG 51 1HH1 ARG 51 7.227 -0.811 -9.903 429 HH12 ARG 51 2HH1 ARG 51 7.769 -1.369 -11.396 430 HH21 ARG 51 1HH2 ARG 51 10.844 0.387 -11.356 431 HH22 ARG 51 2HH2 ARG 51 9.888 -0.691 -12.248 432 H HIS 52 H HIS 52 7.793 2.046 -2.863 433 HA HIS 52 HA HIS 52 10.561 1.179 -2.438 434 HB2 HIS 52 2HB HIS 52 10.194 3.468 -1.412 435 HB3 HIS 52 1HB HIS 52 8.959 2.746 -0.395 436 HD1 HIS 52 1HD HIS 52 9.836 1.089 1.518 437 HD2 HIS 52 2HD HIS 52 12.803 3.099 -0.596 438 HE1 HIS 52 1HE HIS 52 11.888 0.956 2.929 439 HE2 HIS 52 2HE HIS 52 13.687 1.749 1.429 440 H LYS 53 H LYS 53 10.640 -0.654 -1.078 441 HA LYS 53 HA LYS 53 8.258 -2.166 -1.018 442 HB2 LYS 53 2HB LYS 53 9.568 -3.916 0.078 443 HB3 LYS 53 1HB LYS 53 10.422 -3.252 -1.302 444 HG2 LYS 53 2HG LYS 53 11.751 -1.862 0.262 445 HG3 LYS 53 1HG LYS 53 10.933 -2.679 1.590 446 HD2 LYS 53 2HD LYS 53 13.138 -3.677 1.171 447 HD3 LYS 53 1HD LYS 53 11.845 -4.830 0.863 448 HE2 LYS 53 2HE LYS 53 12.026 -4.514 -1.494 449 HE3 LYS 53 1HE LYS 53 13.165 -3.178 -1.296 450 HZ1 LYS 53 3HZ LYS 53 13.652 -6.053 -0.669 451 HZ2 LYS 53 1HZ LYS 53 14.749 -4.807 -0.347 452 HZ3 LYS 53 2HZ LYS 53 14.307 -5.160 -1.919 453 H LEU 54 H LEU 54 7.086 -2.861 0.673 454 HA LEU 54 HA LEU 54 6.964 -0.982 2.919 455 HB2 LEU 54 2HB LEU 54 4.871 -2.983 2.165 456 HB3 LEU 54 1HB LEU 54 4.709 -1.565 3.108 457 HG LEU 54 HG LEU 54 5.247 -1.398 0.153 458 HD11 LEU 54 1HD1 LEU 54 2.670 -1.096 1.673 459 HD12 LEU 54 2HD1 LEU 54 3.073 -2.448 0.615 460 HD13 LEU 54 3HD1 LEU 54 2.897 -0.822 -0.054 461 HD21 LEU 54 3HD2 LEU 54 5.950 0.518 1.452 462 HD22 LEU 54 1HD2 LEU 54 4.344 0.589 2.196 463 HD23 LEU 54 2HD2 LEU 54 4.518 0.873 0.466 464 HA PRO 55 HA PRO 55 7.799 -4.328 5.813 465 HB2 PRO 55 2HB PRO 55 5.283 -3.704 7.260 466 HB3 PRO 55 1HB PRO 55 6.932 -3.614 7.864 467 HG2 PRO 55 2HG PRO 55 5.580 -1.387 7.379 468 HG3 PRO 55 1HG PRO 55 7.292 -1.499 6.931 469 HD2 PRO 55 2HD PRO 55 4.875 -1.885 5.199 470 HD3 PRO 55 1HD PRO 55 6.255 -0.891 4.810 471 H ASP 56 H ASP 56 7.148 -6.466 6.205 472 HA ASP 56 HA ASP 56 5.283 -7.628 4.434 473 HB2 ASP 56 2HB ASP 56 6.614 -8.752 6.898 474 HB3 ASP 56 1HB ASP 56 5.516 -9.696 5.912 475 H ASP 57 H ASP 57 5.158 -6.604 7.715 476 HA ASP 57 HA ASP 57 2.552 -7.732 8.245 477 HB2 ASP 57 2HB ASP 57 4.453 -7.427 9.946 478 HB3 ASP 57 1HB ASP 57 4.031 -5.724 9.948 479 H TYR 58 H TYR 58 3.305 -5.292 6.311 480 HA TYR 58 HA TYR 58 1.445 -3.363 7.362 481 HB2 TYR 58 2HB TYR 58 3.440 -2.558 6.308 482 HB3 TYR 58 1HB TYR 58 3.051 -3.419 4.816 483 HD1 TYR 58 1HD TYR 58 2.048 -0.633 7.027 484 HD2 TYR 58 2HD TYR 58 1.627 -2.431 3.228 485 HE1 TYR 58 1HE TYR 58 0.817 1.365 6.221 486 HE2 TYR 58 2HE TYR 58 0.404 -0.467 2.401 487 HH TYR 58 HH TYR 58 0.190 2.442 4.218 488 HA PRO 59 HA PRO 59 -1.837 -5.403 5.259 489 HB2 PRO 59 2HB PRO 59 -3.848 -3.801 6.113 490 HB3 PRO 59 1HB PRO 59 -3.091 -5.025 7.136 491 HG2 PRO 59 2HG PRO 59 -2.744 -2.081 7.149 492 HG3 PRO 59 1HG PRO 59 -2.645 -3.238 8.485 493 HD2 PRO 59 2HD PRO 59 -0.471 -2.098 7.135 494 HD3 PRO 59 1HD PRO 59 -0.411 -3.519 8.187 495 H ILE 60 H ILE 60 -1.421 -5.012 3.154 496 HA ILE 60 HA ILE 60 -1.967 -2.426 2.082 497 HB ILE 60 HB ILE 60 -1.220 -3.322 -0.102 498 HG12 ILE 60 2HG1 ILE 60 -0.670 -5.892 1.400 499 HG13 ILE 60 1HG1 ILE 60 -1.924 -5.684 0.170 500 HG21 ILE 60 1HG2 ILE 60 0.563 -3.861 2.231 501 HG22 ILE 60 2HG2 ILE 60 0.382 -2.337 1.361 502 HG23 ILE 60 3HG2 ILE 60 1.126 -3.733 0.566 503 HD11 ILE 60 3HD1 ILE 60 0.077 -6.793 -0.726 504 HD12 ILE 60 1HD1 ILE 60 1.038 -5.380 -0.278 505 HD13 ILE 60 2HD1 ILE 60 -0.214 -5.233 -1.506 Start of MODEL 11 1 H1 MET 1 1HT MET 1 -13.659 11.758 1.233 2 H2 MET 1 2HT MET 1 -13.989 12.247 2.793 3 H3 MET 1 3HT MET 1 -13.839 10.603 2.445 4 HA MET 1 HA MET 1 -11.722 12.666 2.181 5 HB2 MET 1 2HB MET 1 -12.206 12.202 4.543 6 HB3 MET 1 1HB MET 1 -12.028 10.480 4.258 7 HG2 MET 1 2HG MET 1 -9.664 10.808 3.714 8 HG3 MET 1 1HG MET 1 -9.840 12.538 3.985 9 HE1 MET 1 2HE MET 1 -7.605 10.762 5.373 10 HE2 MET 1 3HE MET 1 -7.664 11.357 7.031 11 HE3 MET 1 1HE MET 1 -7.783 12.489 5.684 12 H SER 2 H SER 2 -12.459 9.168 2.154 13 HA SER 2 HA SER 2 -11.636 7.465 1.147 14 HB2 SER 2 2HB SER 2 -10.629 9.437 -0.920 15 HB3 SER 2 1HB SER 2 -10.693 7.686 -1.141 16 HG SER 2 HG SER 2 -12.986 7.934 -0.571 17 H SER 3 H SER 3 -10.360 7.251 2.999 18 HA SER 3 HA SER 3 -7.595 7.025 2.227 19 HB2 SER 3 2HB SER 3 -8.442 8.387 4.792 20 HB3 SER 3 1HB SER 3 -6.786 7.929 4.385 21 HG SER 3 HG SER 3 -8.008 9.289 2.398 22 H GLY 4 H GLY 4 -8.570 4.918 1.980 23 HA2 GLY 4 2HA GLY 4 -8.771 3.383 4.464 24 HA3 GLY 4 1HA GLY 4 -9.084 2.772 2.833 25 H LYS 5 H LYS 5 -6.459 4.396 4.455 26 HA LYS 5 HA LYS 5 -4.558 2.364 3.563 27 HB2 LYS 5 2HB LYS 5 -4.217 5.349 3.187 28 HB3 LYS 5 1HB LYS 5 -3.002 4.136 2.853 29 HG2 LYS 5 2HG LYS 5 -4.348 3.267 1.025 30 HG3 LYS 5 1HG LYS 5 -5.619 4.437 1.394 31 HD2 LYS 5 2HD LYS 5 -4.037 6.268 1.003 32 HD3 LYS 5 1HD LYS 5 -2.786 5.095 0.608 33 HE2 LYS 5 2HE LYS 5 -4.127 4.321 -1.295 34 HE3 LYS 5 1HE LYS 5 -5.366 5.515 -0.901 35 HZ1 LYS 5 3HZ LYS 5 -2.556 6.155 -1.553 36 HZ2 LYS 5 1HZ LYS 5 -3.780 7.275 -1.299 37 HZ3 LYS 5 2HZ LYS 5 -3.833 6.277 -2.657 38 H LYS 6 H LYS 6 -2.312 3.437 4.498 39 HA LYS 6 HA LYS 6 -2.641 4.591 7.087 40 HB2 LYS 6 2HB LYS 6 -2.935 2.158 7.537 41 HB3 LYS 6 1HB LYS 6 -1.439 1.824 6.682 42 HG2 LYS 6 2HG LYS 6 -0.180 3.042 8.363 43 HG3 LYS 6 1HG LYS 6 -1.670 3.437 9.219 44 HD2 LYS 6 2HD LYS 6 -2.049 1.013 9.574 45 HD3 LYS 6 1HD LYS 6 -0.510 0.687 8.772 46 HE2 LYS 6 2HE LYS 6 0.664 2.001 10.446 47 HE3 LYS 6 1HE LYS 6 -0.863 2.378 11.235 48 HZ1 LYS 6 3HZ LYS 6 0.303 0.602 12.369 49 HZ2 LYS 6 1HZ LYS 6 0.320 -0.329 10.970 50 HZ3 LYS 6 2HZ LYS 6 -1.136 0.016 11.729 51 HA PRO 7 HA PRO 7 1.277 5.962 5.377 52 HB2 PRO 7 2HB PRO 7 2.027 7.603 7.412 53 HB3 PRO 7 1HB PRO 7 0.843 8.072 6.193 54 HG2 PRO 7 2HG PRO 7 0.432 7.241 9.003 55 HG3 PRO 7 1HG PRO 7 -0.527 8.340 7.995 56 HD2 PRO 7 2HD PRO 7 -1.169 5.683 8.601 57 HD3 PRO 7 1HD PRO 7 -1.889 6.658 7.313 58 H VAL 8 H VAL 8 3.368 5.328 5.599 59 HA VAL 8 HA VAL 8 3.981 3.746 7.987 60 HB VAL 8 HB VAL 8 3.557 2.333 5.957 61 HG11 VAL 8 1HG1 VAL 8 4.273 3.783 4.220 62 HG12 VAL 8 2HG1 VAL 8 5.175 2.267 4.144 63 HG13 VAL 8 3HG1 VAL 8 5.936 3.716 4.801 64 HG21 VAL 8 3HG2 VAL 8 5.590 0.958 6.111 65 HG22 VAL 8 1HG2 VAL 8 4.996 1.458 7.694 66 HG23 VAL 8 2HG2 VAL 8 6.391 2.267 6.980 67 H LYS 9 H LYS 9 6.143 3.844 8.712 68 HA LYS 9 HA LYS 9 7.547 6.230 8.041 69 HB2 LYS 9 2HB LYS 9 8.186 3.848 9.787 70 HB3 LYS 9 1HB LYS 9 9.272 5.210 9.626 71 HG2 LYS 9 2HG LYS 9 7.528 6.674 10.526 72 HG3 LYS 9 1HG LYS 9 6.479 5.266 10.755 73 HD2 LYS 9 2HD LYS 9 8.202 4.313 12.257 74 HD3 LYS 9 1HD LYS 9 9.165 5.760 12.023 75 HE2 LYS 9 2HE LYS 9 7.908 5.836 14.139 76 HE3 LYS 9 1HE LYS 9 7.466 7.138 13.040 77 HZ1 LYS 9 3HZ LYS 9 5.424 6.118 12.557 78 HZ2 LYS 9 1HZ LYS 9 5.595 6.037 14.212 79 HZ3 LYS 9 2HZ LYS 9 5.832 4.643 13.294 80 H VAL 10 H VAL 10 8.545 6.313 6.154 81 HA VAL 10 HA VAL 10 10.035 3.965 5.263 82 HB VAL 10 HB VAL 10 7.944 4.083 4.038 83 HG11 VAL 10 1HG1 VAL 10 8.797 6.839 3.164 84 HG12 VAL 10 2HG1 VAL 10 7.427 6.438 4.199 85 HG13 VAL 10 3HG1 VAL 10 7.426 5.944 2.505 86 HG21 VAL 10 3HG2 VAL 10 9.833 3.224 2.852 87 HG22 VAL 10 1HG2 VAL 10 10.300 4.847 2.332 88 HG23 VAL 10 2HG2 VAL 10 8.795 4.122 1.748 89 H LYS 11 H LYS 11 11.939 4.366 4.327 90 HA LYS 11 HA LYS 11 13.130 6.920 4.895 91 HB2 LYS 11 2HB LYS 11 14.285 4.457 3.593 92 HB3 LYS 11 1HB LYS 11 15.213 5.866 4.098 93 HG2 LYS 11 2HG LYS 11 14.610 5.461 6.407 94 HG3 LYS 11 1HG LYS 11 13.624 4.078 5.934 95 HD2 LYS 11 2HD LYS 11 15.676 3.034 4.989 96 HD3 LYS 11 1HD LYS 11 16.608 4.381 5.641 97 HE2 LYS 11 2HE LYS 11 16.700 2.460 7.147 98 HE3 LYS 11 1HE LYS 11 15.866 3.815 7.901 99 HZ1 LYS 11 3HZ LYS 11 14.814 1.607 8.205 100 HZ2 LYS 11 1HZ LYS 11 14.453 1.566 6.570 101 HZ3 LYS 11 2HZ LYS 11 13.772 2.754 7.600 102 H THR 12 H THR 12 13.005 8.533 3.616 103 HA THR 12 HA THR 12 12.137 8.248 0.911 104 HB THR 12 HB THR 12 12.104 10.719 1.006 105 HG1 THR 12 1HG THR 12 12.564 11.678 3.007 106 HG21 THR 12 3HG2 THR 12 10.877 9.381 3.419 107 HG22 THR 12 1HG2 THR 12 10.161 9.464 1.812 108 HG23 THR 12 2HG2 THR 12 10.385 10.938 2.753 109 HA PRO 13 HA PRO 13 16.116 8.767 -1.082 110 HB2 PRO 13 2HB PRO 13 15.124 11.041 -2.682 111 HB3 PRO 13 1HB PRO 13 15.688 9.450 -3.208 112 HG2 PRO 13 2HG PRO 13 13.095 10.124 -3.323 113 HG3 PRO 13 1HG PRO 13 13.622 8.474 -2.954 114 HD2 PRO 13 2HD PRO 13 12.658 10.615 -1.106 115 HD3 PRO 13 1HD PRO 13 12.301 8.873 -1.110 116 H ALA 14 H ALA 14 14.540 11.420 0.395 117 HA ALA 14 HA ALA 14 16.698 13.275 0.305 118 HB1 ALA 14 1HB ALA 14 14.369 13.991 0.621 119 HB2 ALA 14 2HB ALA 14 15.407 14.537 1.946 120 HB3 ALA 14 3HB ALA 14 14.345 13.153 2.175 121 H GLY 15 H GLY 15 16.031 10.479 2.196 122 HA2 GLY 15 2HA GLY 15 17.756 9.434 3.408 123 HA3 GLY 15 1HA GLY 15 18.496 11.002 3.667 124 H LYS 16 H LYS 16 15.083 10.357 4.334 125 HA LYS 16 HA LYS 16 15.714 9.982 7.121 126 HB2 LYS 16 2HB LYS 16 14.054 11.643 7.910 127 HB3 LYS 16 1HB LYS 16 15.408 12.400 7.100 128 HG2 LYS 16 2HG LYS 16 12.761 11.875 5.751 129 HG3 LYS 16 1HG LYS 16 13.083 13.347 6.659 130 HD2 LYS 16 2HD LYS 16 14.712 12.385 4.311 131 HD3 LYS 16 1HD LYS 16 13.406 13.565 4.205 132 HE2 LYS 16 2HE LYS 16 15.923 13.894 5.852 133 HE3 LYS 16 1HE LYS 16 15.642 14.604 4.270 134 HZ1 LYS 16 3HZ LYS 16 13.781 15.805 5.152 135 HZ2 LYS 16 1HZ LYS 16 15.183 16.194 6.009 136 HZ3 LYS 16 2HZ LYS 16 14.037 15.178 6.714 137 H GLU 17 H GLU 17 14.063 8.943 8.315 138 HA GLU 17 HA GLU 17 12.220 7.580 6.559 139 HB2 GLU 17 2HB GLU 17 13.646 6.250 8.148 140 HB3 GLU 17 1HB GLU 17 12.793 7.017 9.480 141 HG2 GLU 17 2HG GLU 17 10.738 6.054 8.801 142 HG3 GLU 17 1HG GLU 17 11.457 5.395 7.341 143 H ALA 18 H ALA 18 10.660 8.864 6.136 144 HA ALA 18 HA ALA 18 9.269 10.283 8.298 145 HB1 ALA 18 1HB ALA 18 9.189 10.752 5.313 146 HB2 ALA 18 2HB ALA 18 10.110 11.699 6.480 147 HB3 ALA 18 3HB ALA 18 8.346 11.707 6.532 148 H GLU 19 H GLU 19 6.911 10.348 8.114 149 HA GLU 19 HA GLU 19 5.955 7.726 7.328 150 HB2 GLU 19 2HB GLU 19 4.622 9.874 8.975 151 HB3 GLU 19 1HB GLU 19 3.943 8.283 8.637 152 HG2 GLU 19 2HG GLU 19 5.799 7.234 9.732 153 HG3 GLU 19 1HG GLU 19 6.521 8.802 10.082 154 H LEU 20 H LEU 20 5.391 7.578 5.380 155 HA LEU 20 HA LEU 20 3.861 9.758 4.154 156 HB2 LEU 20 2HB LEU 20 5.767 7.805 2.889 157 HB3 LEU 20 1HB LEU 20 4.776 8.940 1.982 158 HG LEU 20 HG LEU 20 7.059 9.584 3.859 159 HD11 LEU 20 1HD1 LEU 20 6.765 9.842 0.875 160 HD12 LEU 20 2HD1 LEU 20 7.802 8.698 1.740 161 HD13 LEU 20 3HD1 LEU 20 8.119 10.435 1.828 162 HD21 LEU 20 3HD2 LEU 20 6.784 11.893 3.141 163 HD22 LEU 20 1HD2 LEU 20 5.342 11.323 3.989 164 HD23 LEU 20 2HD2 LEU 20 5.348 11.445 2.225 165 H VAL 21 H VAL 21 2.019 9.184 3.089 166 HA VAL 21 HA VAL 21 1.213 6.441 3.460 167 HB VAL 21 HB VAL 21 -0.316 8.165 4.322 168 HG11 VAL 21 1HG1 VAL 21 -1.645 9.569 2.853 169 HG12 VAL 21 2HG1 VAL 21 -0.630 9.078 1.493 170 HG13 VAL 21 3HG1 VAL 21 0.073 9.978 2.850 171 HG21 VAL 21 3HG2 VAL 21 -1.294 6.057 3.675 172 HG22 VAL 21 1HG2 VAL 21 -1.486 6.626 2.016 173 HG23 VAL 21 2HG2 VAL 21 -2.417 7.370 3.317 174 HA PRO 22 HA PRO 22 2.309 5.712 -0.742 175 HB2 PRO 22 2HB PRO 22 0.682 3.294 -0.630 176 HB3 PRO 22 1HB PRO 22 2.426 3.446 -0.818 177 HG2 PRO 22 2HG PRO 22 1.263 2.513 1.442 178 HG3 PRO 22 1HG PRO 22 2.809 3.371 1.432 179 HD2 PRO 22 2HD PRO 22 0.115 4.328 2.233 180 HD3 PRO 22 1HD PRO 22 1.727 4.729 2.870 181 H GLU 23 H GLU 23 1.524 6.127 -2.652 182 HA GLU 23 HA GLU 23 -1.125 7.005 -3.161 183 HB2 GLU 23 2HB GLU 23 1.120 6.193 -5.011 184 HB3 GLU 23 1HB GLU 23 -0.344 7.021 -5.507 185 HG2 GLU 23 2HG GLU 23 1.643 8.121 -3.547 186 HG3 GLU 23 1HG GLU 23 1.639 8.472 -5.275 187 H LYS 24 H LYS 24 0.784 4.208 -3.962 188 HA LYS 24 HA LYS 24 -1.580 2.562 -4.325 189 HB2 LYS 24 2HB LYS 24 -0.892 3.370 -6.574 190 HB3 LYS 24 1HB LYS 24 0.728 2.751 -6.285 191 HG2 LYS 24 2HG LYS 24 -0.245 0.507 -6.023 192 HG3 LYS 24 1HG LYS 24 -1.811 1.174 -6.528 193 HD2 LYS 24 2HD LYS 24 -0.717 1.874 -8.653 194 HD3 LYS 24 1HD LYS 24 0.751 1.046 -8.111 195 HE2 LYS 24 2HE LYS 24 -1.942 -0.200 -8.655 196 HE3 LYS 24 1HE LYS 24 -0.471 -0.404 -9.589 197 HZ1 LYS 24 3HZ LYS 24 0.548 -1.541 -7.724 198 HZ2 LYS 24 1HZ LYS 24 -0.893 -2.287 -8.149 199 HZ3 LYS 24 2HZ LYS 24 -0.869 -1.336 -6.782 200 H VAL 25 H VAL 25 -1.145 0.462 -3.646 201 HA VAL 25 HA VAL 25 1.610 -0.174 -2.920 202 HB VAL 25 HB VAL 25 0.716 -1.582 -1.041 203 HG11 VAL 25 1HG1 VAL 25 0.005 1.327 -0.848 204 HG12 VAL 25 2HG1 VAL 25 1.604 0.638 -0.581 205 HG13 VAL 25 3HG1 VAL 25 0.274 0.238 0.511 206 HG21 VAL 25 3HG2 VAL 25 -1.873 -0.170 -1.650 207 HG22 VAL 25 1HG2 VAL 25 -1.561 -1.145 -0.216 208 HG23 VAL 25 2HG2 VAL 25 -1.551 -1.898 -1.811 209 H TRP 26 H TRP 26 2.176 -2.380 -3.151 210 HA TRP 26 HA TRP 26 0.273 -4.213 -4.190 211 HB2 TRP 26 2HB TRP 26 1.475 -4.663 -6.321 212 HB3 TRP 26 1HB TRP 26 0.757 -3.066 -6.265 213 HD1 TRP 26 HD TRP 26 4.006 -4.850 -6.750 214 HE1 TRP 26 1HE TRP 26 5.845 -3.170 -7.319 215 HE3 TRP 26 3HE TRP 26 1.531 -0.566 -5.641 216 HZ2 TRP 26 2HZ TRP 26 6.201 -0.345 -7.300 217 HZ3 TRP 26 3HZ TRP 26 2.691 1.602 -5.954 218 HH2 TRP 26 HH TRP 26 4.939 1.705 -6.745 219 H ALA 27 H ALA 27 1.113 -6.353 -4.326 220 HA ALA 27 HA ALA 27 3.627 -6.661 -2.851 221 HB1 ALA 27 1HB ALA 27 1.712 -7.067 -1.352 222 HB2 ALA 27 2HB ALA 27 2.674 -8.521 -1.621 223 HB3 ALA 27 3HB ALA 27 1.140 -8.312 -2.461 224 H LEU 28 H LEU 28 5.017 -7.803 -3.845 225 HA LEU 28 HA LEU 28 4.230 -9.444 -6.095 226 HB2 LEU 28 2HB LEU 28 6.975 -8.777 -5.015 227 HB3 LEU 28 1HB LEU 28 6.694 -9.782 -6.415 228 HG LEU 28 HG LEU 28 5.672 -7.758 -7.542 229 HD11 LEU 28 1HD1 LEU 28 6.206 -5.557 -6.670 230 HD12 LEU 28 2HD1 LEU 28 6.884 -6.286 -5.215 231 HD13 LEU 28 3HD1 LEU 28 5.160 -6.442 -5.556 232 HD21 LEU 28 3HD2 LEU 28 7.823 -6.748 -8.061 233 HD22 LEU 28 1HD2 LEU 28 7.925 -8.506 -8.011 234 HD23 LEU 28 2HD2 LEU 28 8.541 -7.550 -6.664 235 H ALA 29 H ALA 29 3.168 -11.026 -5.043 236 HA ALA 29 HA ALA 29 4.875 -12.972 -3.729 237 HB1 ALA 29 1HB ALA 29 3.158 -13.442 -2.058 238 HB2 ALA 29 2HB ALA 29 2.140 -12.172 -2.729 239 HB3 ALA 29 3HB ALA 29 3.661 -11.752 -1.948 240 HA PRO 30 HA PRO 30 2.457 -15.116 -6.934 241 HB2 PRO 30 2HB PRO 30 4.560 -17.098 -6.913 242 HB3 PRO 30 1HB PRO 30 4.140 -15.998 -8.223 243 HG2 PRO 30 2HG PRO 30 6.456 -15.904 -6.676 244 HG3 PRO 30 1HG PRO 30 5.860 -14.602 -7.705 245 HD2 PRO 30 2HD PRO 30 5.802 -14.841 -4.763 246 HD3 PRO 30 1HD PRO 30 5.685 -13.412 -5.789 247 H LYS 31 H LYS 31 4.595 -17.101 -4.964 248 HA LYS 31 HA LYS 31 3.076 -17.580 -2.779 249 HB2 LYS 31 2HB LYS 31 1.613 -18.882 -4.496 250 HB3 LYS 31 1HB LYS 31 2.975 -19.993 -4.625 251 HG2 LYS 31 2HG LYS 31 2.830 -20.485 -2.252 252 HG3 LYS 31 1HG LYS 31 1.503 -19.340 -2.085 253 HD2 LYS 31 2HD LYS 31 0.190 -20.724 -3.672 254 HD3 LYS 31 1HD LYS 31 1.506 -21.902 -3.668 255 HE2 LYS 31 2HE LYS 31 -0.166 -22.626 -2.093 256 HE3 LYS 31 1HE LYS 31 1.265 -22.102 -1.217 257 HZ1 LYS 31 3HZ LYS 31 -1.257 -20.567 -1.566 258 HZ2 LYS 31 1HZ LYS 31 0.110 -19.947 -0.777 259 HZ3 LYS 31 2HZ LYS 31 -0.699 -21.268 -0.149 260 H GLY 32 H GLY 32 4.315 -18.892 -1.368 261 HA2 GLY 32 2HA GLY 32 6.138 -20.170 -0.716 262 HA3 GLY 32 1HA GLY 32 6.675 -20.230 -2.392 263 H ARG 33 H ARG 33 6.029 -17.152 -1.936 264 HA ARG 33 HA ARG 33 8.806 -16.496 -1.239 265 HB2 ARG 33 2HB ARG 33 7.957 -15.798 -3.530 266 HB3 ARG 33 1HB ARG 33 6.777 -14.780 -2.718 267 HG2 ARG 33 2HG ARG 33 8.650 -13.517 -1.682 268 HG3 ARG 33 1HG ARG 33 9.778 -14.487 -2.622 269 HD2 ARG 33 2HD ARG 33 7.642 -12.666 -3.731 270 HD3 ARG 33 1HD ARG 33 9.363 -12.312 -3.667 271 HE ARG 33 HE ARG 33 8.761 -14.718 -5.115 272 HH11 ARG 33 1HH1 ARG 33 9.238 -11.237 -5.394 273 HH12 ARG 33 2HH1 ARG 33 9.299 -11.211 -7.093 274 HH21 ARG 33 1HH2 ARG 33 8.831 -14.722 -7.460 275 HH22 ARG 33 2HH2 ARG 33 8.995 -13.271 -8.307 276 H LYS 34 H LYS 34 9.110 -14.779 0.298 277 HA LYS 34 HA LYS 34 7.323 -14.690 2.439 278 HB2 LYS 34 2HB LYS 34 9.771 -14.057 2.475 279 HB3 LYS 34 1HB LYS 34 9.301 -12.532 1.741 280 HG2 LYS 34 2HG LYS 34 7.910 -12.023 3.695 281 HG3 LYS 34 1HG LYS 34 8.428 -13.540 4.439 282 HD2 LYS 34 2HD LYS 34 10.775 -12.743 4.295 283 HD3 LYS 34 1HD LYS 34 10.168 -11.210 3.672 284 HE2 LYS 34 2HE LYS 34 8.868 -10.908 5.735 285 HE3 LYS 34 1HE LYS 34 9.543 -12.406 6.369 286 HZ1 LYS 34 3HZ LYS 34 11.076 -9.940 5.695 287 HZ2 LYS 34 1HZ LYS 34 11.750 -11.401 6.209 288 HZ3 LYS 34 2HZ LYS 34 10.739 -10.543 7.227 289 H GLY 35 H GLY 35 7.683 -12.481 -0.259 290 HA2 GLY 35 2HA GLY 35 5.620 -11.591 -1.222 291 HA3 GLY 35 1HA GLY 35 5.031 -11.359 0.423 292 H VAL 36 H VAL 36 6.872 -10.079 -2.155 293 HA VAL 36 HA VAL 36 8.135 -8.047 -0.515 294 HB VAL 36 HB VAL 36 8.070 -8.170 -3.537 295 HG11 VAL 36 1HG1 VAL 36 8.722 -6.004 -2.663 296 HG12 VAL 36 2HG1 VAL 36 10.094 -6.809 -3.421 297 HG13 VAL 36 3HG1 VAL 36 9.963 -6.761 -1.664 298 HG21 VAL 36 3HG2 VAL 36 8.996 -10.243 -2.704 299 HG22 VAL 36 1HG2 VAL 36 10.084 -9.351 -1.639 300 HG23 VAL 36 2HG2 VAL 36 10.275 -9.238 -3.390 301 H LYS 37 H LYS 37 6.802 -6.628 0.259 302 HA LYS 37 HA LYS 37 4.584 -5.595 -1.294 303 HB2 LYS 37 2HB LYS 37 5.513 -5.119 1.531 304 HB3 LYS 37 1HB LYS 37 4.060 -4.406 0.841 305 HG2 LYS 37 2HG LYS 37 3.144 -6.662 0.478 306 HG3 LYS 37 1HG LYS 37 4.613 -7.357 1.149 307 HD2 LYS 37 2HD LYS 37 4.150 -6.389 3.299 308 HD3 LYS 37 1HD LYS 37 2.761 -5.516 2.648 309 HE2 LYS 37 2HE LYS 37 2.045 -7.503 3.859 310 HE3 LYS 37 1HE LYS 37 1.655 -7.639 2.148 311 HZ1 LYS 37 3HZ LYS 37 3.677 -9.040 1.904 312 HZ2 LYS 37 1HZ LYS 37 2.528 -9.694 2.947 313 HZ3 LYS 37 2HZ LYS 37 3.891 -8.965 3.586 314 H ILE 38 H ILE 38 4.703 -3.723 -2.404 315 HA ILE 38 HA ILE 38 6.833 -1.844 -1.707 316 HB ILE 38 HB ILE 38 6.008 -2.597 -4.544 317 HG12 ILE 38 2HG1 ILE 38 8.575 -3.188 -3.045 318 HG13 ILE 38 1HG1 ILE 38 7.353 -4.368 -3.484 319 HG21 ILE 38 1HG2 ILE 38 8.172 -0.723 -3.569 320 HG22 ILE 38 2HG2 ILE 38 6.663 -0.248 -4.345 321 HG23 ILE 38 3HG2 ILE 38 7.873 -1.155 -5.254 322 HD11 ILE 38 3HD1 ILE 38 7.828 -3.970 -5.855 323 HD12 ILE 38 1HD1 ILE 38 9.264 -4.492 -4.972 324 HD13 ILE 38 2HD1 ILE 38 9.063 -2.793 -5.403 325 H GLY 39 H GLY 39 6.236 0.277 -1.862 326 HA2 GLY 39 2HA GLY 39 3.509 0.815 -2.782 327 HA3 GLY 39 1HA GLY 39 4.075 1.463 -1.250 328 H LEU 40 H LEU 40 3.190 2.754 -3.658 329 HA LEU 40 HA LEU 40 5.607 4.132 -4.534 330 HB2 LEU 40 2HB LEU 40 4.085 3.416 -6.252 331 HB3 LEU 40 1HB LEU 40 2.745 4.254 -5.538 332 HG LEU 40 HG LEU 40 4.076 6.393 -5.979 333 HD11 LEU 40 1HD1 LEU 40 5.802 6.220 -7.691 334 HD12 LEU 40 2HD1 LEU 40 5.646 4.460 -7.625 335 HD13 LEU 40 3HD1 LEU 40 6.245 5.343 -6.219 336 HD21 LEU 40 3HD2 LEU 40 2.198 5.719 -7.372 337 HD22 LEU 40 1HD2 LEU 40 3.284 4.690 -8.315 338 HD23 LEU 40 2HD2 LEU 40 3.501 6.441 -8.333 339 H PHE 41 H PHE 41 6.129 6.019 -3.705 340 HA PHE 41 HA PHE 41 4.182 7.441 -1.999 341 HB2 PHE 41 2HB PHE 41 7.154 7.118 -1.684 342 HB3 PHE 41 1HB PHE 41 6.135 8.108 -0.666 343 HD1 PHE 41 1HD PHE 41 4.493 6.991 0.822 344 HD2 PHE 41 2HD PHE 41 7.386 4.805 -1.391 345 HE1 PHE 41 1HE PHE 41 4.171 5.069 2.299 346 HE2 PHE 41 2HE PHE 41 7.062 2.875 0.083 347 HZ PHE 41 HZ PHE 41 5.455 3.012 1.931 348 H LYS 42 H LYS 42 4.952 9.726 -1.673 349 HA LYS 42 HA LYS 42 6.531 10.737 -3.919 350 HB2 LYS 42 2HB LYS 42 4.162 11.478 -4.155 351 HB3 LYS 42 1HB LYS 42 4.228 12.155 -2.530 352 HG2 LYS 42 2HG LYS 42 6.076 13.645 -3.289 353 HG3 LYS 42 1HG LYS 42 5.831 13.048 -4.924 354 HD2 LYS 42 2HD LYS 42 3.548 13.922 -4.913 355 HD3 LYS 42 1HD LYS 42 3.763 14.475 -3.249 356 HE2 LYS 42 2HE LYS 42 5.639 15.906 -4.011 357 HE3 LYS 42 1HE LYS 42 5.311 15.411 -5.667 358 HZ1 LYS 42 3HZ LYS 42 4.342 17.561 -5.121 359 HZ2 LYS 42 1HZ LYS 42 3.440 16.872 -3.892 360 HZ3 LYS 42 2HZ LYS 42 3.124 16.467 -5.500 361 H ASP 43 H ASP 43 8.323 11.682 -3.236 362 HA ASP 43 HA ASP 43 8.742 12.051 -0.402 363 HB2 ASP 43 2HB ASP 43 10.634 11.279 -1.774 364 HB3 ASP 43 1HB ASP 43 10.516 12.720 -2.774 365 HA PRO 44 HA PRO 44 6.893 16.048 -0.712 366 HB2 PRO 44 2HB PRO 44 7.217 16.807 1.857 367 HB3 PRO 44 1HB PRO 44 6.004 15.628 1.345 368 HG2 PRO 44 2HG PRO 44 8.691 15.163 2.591 369 HG3 PRO 44 1HG PRO 44 7.152 14.347 2.906 370 HD2 PRO 44 2HD PRO 44 9.110 13.299 1.350 371 HD3 PRO 44 1HD PRO 44 7.386 12.954 1.112 372 H GLU 45 H GLU 45 10.233 15.604 -0.047 373 HA GLU 45 HA GLU 45 10.627 18.487 0.105 374 HB2 GLU 45 2HB GLU 45 12.517 16.224 0.706 375 HB3 GLU 45 1HB GLU 45 12.985 17.921 0.732 376 HG2 GLU 45 2HG GLU 45 11.302 18.353 2.459 377 HG3 GLU 45 1HG GLU 45 10.862 16.648 2.440 378 H THR 46 H THR 46 11.410 15.731 -1.860 379 HA THR 46 HA THR 46 12.772 17.447 -3.776 380 HB THR 46 HB THR 46 13.122 15.297 -5.039 381 HG1 THR 46 1HG THR 46 12.069 14.135 -2.674 382 HG21 THR 46 3HG2 THR 46 13.991 15.261 -2.144 383 HG22 THR 46 1HG2 THR 46 14.808 16.120 -3.448 384 HG23 THR 46 2HG2 THR 46 14.745 14.358 -3.458 385 H GLY 47 H GLY 47 9.767 15.687 -3.383 386 HA2 GLY 47 2HA GLY 47 7.774 16.201 -4.362 387 HA3 GLY 47 1HA GLY 47 8.639 17.257 -5.473 388 H LYS 48 H LYS 48 9.584 13.938 -4.954 389 HA LYS 48 HA LYS 48 8.463 13.370 -7.596 390 HB2 LYS 48 2HB LYS 48 10.397 12.019 -8.158 391 HB3 LYS 48 1HB LYS 48 10.866 13.679 -7.830 392 HG2 LYS 48 2HG LYS 48 11.574 12.946 -5.544 393 HG3 LYS 48 1HG LYS 48 11.251 11.284 -6.040 394 HD2 LYS 48 2HD LYS 48 13.214 13.174 -7.342 395 HD3 LYS 48 1HD LYS 48 13.628 11.846 -6.263 396 HE2 LYS 48 2HE LYS 48 12.753 10.237 -7.876 397 HE3 LYS 48 1HE LYS 48 12.229 11.554 -8.924 398 HZ1 LYS 48 3HZ LYS 48 14.501 12.193 -9.241 399 HZ2 LYS 48 1HZ LYS 48 14.304 10.584 -9.665 400 HZ3 LYS 48 2HZ LYS 48 15.059 10.986 -8.215 401 H TYR 49 H TYR 49 7.881 11.236 -8.031 402 HA TYR 49 HA TYR 49 6.936 9.860 -5.677 403 HB2 TYR 49 2HB TYR 49 6.373 9.521 -8.625 404 HB3 TYR 49 1HB TYR 49 5.765 8.417 -7.399 405 HD1 TYR 49 2HD TYR 49 5.592 11.907 -8.638 406 HD2 TYR 49 1HD TYR 49 3.908 8.980 -6.051 407 HE1 TYR 49 2HE TYR 49 3.648 13.369 -8.250 408 HE2 TYR 49 1HE TYR 49 1.966 10.442 -5.660 409 HH TYR 49 HH TYR 49 1.407 12.752 -5.749 410 H PHE 50 H PHE 50 7.766 8.044 -4.921 411 HA PHE 50 HA PHE 50 9.622 6.594 -6.644 412 HB2 PHE 50 2HB PHE 50 11.279 6.386 -4.884 413 HB3 PHE 50 1HB PHE 50 10.957 8.090 -5.143 414 HD1 PHE 50 2HD PHE 50 9.402 9.275 -3.436 415 HD2 PHE 50 1HD PHE 50 11.114 5.432 -2.766 416 HE1 PHE 50 2HE PHE 50 9.006 9.514 -1.005 417 HE2 PHE 50 1HE PHE 50 10.722 5.671 -0.353 418 HZ PHE 50 HZ PHE 50 9.676 7.698 0.534 419 H ARG 51 H ARG 51 9.402 4.428 -6.463 420 HA ARG 51 HA ARG 51 7.491 3.471 -4.541 421 HB2 ARG 51 2HB ARG 51 7.571 1.411 -5.858 422 HB3 ARG 51 1HB ARG 51 7.154 2.798 -6.847 423 HG2 ARG 51 2HG ARG 51 9.596 2.824 -7.559 424 HG3 ARG 51 1HG ARG 51 9.727 1.249 -6.772 425 HD2 ARG 51 2HD ARG 51 9.274 0.911 -9.127 426 HD3 ARG 51 1HD ARG 51 7.856 0.446 -8.175 427 HE ARG 51 HE ARG 51 7.662 3.132 -8.938 428 HH11 ARG 51 1HH1 ARG 51 7.478 -0.099 -10.397 429 HH12 ARG 51 2HH1 ARG 51 6.362 0.350 -11.595 430 HH21 ARG 51 1HH2 ARG 51 6.086 3.751 -10.621 431 HH22 ARG 51 2HH2 ARG 51 5.538 2.569 -11.710 432 H HIS 52 H HIS 52 8.025 2.243 -2.863 433 HA HIS 52 HA HIS 52 10.829 1.401 -2.570 434 HB2 HIS 52 2HB HIS 52 10.428 3.691 -1.545 435 HB3 HIS 52 1HB HIS 52 9.281 2.924 -0.460 436 HD1 HIS 52 1HD HIS 52 10.342 1.221 1.338 437 HD2 HIS 52 2HD HIS 52 13.062 3.497 -0.827 438 HE1 HIS 52 1HE HIS 52 12.434 1.158 2.645 439 HE2 HIS 52 2HE HIS 52 14.053 2.636 1.382 440 H LYS 53 H LYS 53 11.029 -0.378 -1.128 441 HA LYS 53 HA LYS 53 8.775 -2.053 -0.938 442 HB2 LYS 53 2HB LYS 53 11.109 -2.913 -1.090 443 HB3 LYS 53 1HB LYS 53 11.431 -2.266 0.514 444 HG2 LYS 53 2HG LYS 53 9.646 -3.729 1.411 445 HG3 LYS 53 1HG LYS 53 9.458 -4.426 -0.190 446 HD2 LYS 53 2HD LYS 53 11.754 -5.242 -0.107 447 HD3 LYS 53 1HD LYS 53 11.964 -4.488 1.479 448 HE2 LYS 53 2HE LYS 53 10.127 -5.872 2.365 449 HE3 LYS 53 1HE LYS 53 9.970 -6.647 0.796 450 HZ1 LYS 53 3HZ LYS 53 11.211 -7.912 2.443 451 HZ2 LYS 53 1HZ LYS 53 12.400 -6.727 2.479 452 HZ3 LYS 53 2HZ LYS 53 12.163 -7.592 1.058 453 H LEU 54 H LEU 54 7.556 -2.554 0.784 454 HA LEU 54 HA LEU 54 7.433 -0.596 2.964 455 HB2 LEU 54 2HB LEU 54 5.457 -2.792 2.377 456 HB3 LEU 54 1HB LEU 54 5.218 -1.333 3.254 457 HG LEU 54 HG LEU 54 5.630 -1.360 0.276 458 HD11 LEU 54 1HD1 LEU 54 3.119 -0.949 1.883 459 HD12 LEU 54 2HD1 LEU 54 3.507 -2.398 0.958 460 HD13 LEU 54 3HD1 LEU 54 3.271 -0.858 0.128 461 HD21 LEU 54 3HD2 LEU 54 6.395 0.645 1.365 462 HD22 LEU 54 1HD2 LEU 54 4.845 0.795 2.205 463 HD23 LEU 54 2HD2 LEU 54 4.921 0.942 0.443 464 HA PRO 55 HA PRO 55 8.485 -3.828 5.971 465 HB2 PRO 55 2HB PRO 55 5.769 -3.721 7.195 466 HB3 PRO 55 1HB PRO 55 7.338 -3.450 7.955 467 HG2 PRO 55 2HG PRO 55 5.737 -1.389 7.496 468 HG3 PRO 55 1HG PRO 55 7.483 -1.254 7.200 469 HD2 PRO 55 2HD PRO 55 5.284 -1.774 5.240 470 HD3 PRO 55 1HD PRO 55 6.584 -0.625 5.047 471 H ASP 56 H ASP 56 8.380 -6.007 5.866 472 HA ASP 56 HA ASP 56 7.034 -7.207 3.741 473 HB2 ASP 56 2HB ASP 56 8.386 -8.511 6.111 474 HB3 ASP 56 1HB ASP 56 7.914 -9.339 4.632 475 H ASP 57 H ASP 57 5.956 -6.673 6.925 476 HA ASP 57 HA ASP 57 3.721 -8.576 6.600 477 HB2 ASP 57 2HB ASP 57 5.090 -9.111 8.540 478 HB3 ASP 57 1HB ASP 57 5.029 -7.454 9.097 479 H TYR 58 H TYR 58 4.186 -5.548 5.829 480 HA TYR 58 HA TYR 58 2.327 -4.032 7.347 481 HB2 TYR 58 2HB TYR 58 4.226 -3.249 5.865 482 HB3 TYR 58 1HB TYR 58 3.168 -3.519 4.496 483 HD1 TYR 58 1HD TYR 58 2.884 -1.888 7.841 484 HD2 TYR 58 2HD TYR 58 2.280 -1.563 3.652 485 HE1 TYR 58 1HE TYR 58 2.071 0.400 8.149 486 HE2 TYR 58 2HE TYR 58 1.448 0.734 3.943 487 HH TYR 58 HH TYR 58 0.602 2.230 5.628 488 HA PRO 59 HA PRO 59 -1.314 -5.850 5.576 489 HB2 PRO 59 2HB PRO 59 -3.186 -4.234 6.692 490 HB3 PRO 59 1HB PRO 59 -2.329 -5.492 7.593 491 HG2 PRO 59 2HG PRO 59 -1.849 -2.547 7.532 492 HG3 PRO 59 1HG PRO 59 -1.774 -3.672 8.898 493 HD2 PRO 59 2HD PRO 59 0.424 -2.744 7.564 494 HD3 PRO 59 1HD PRO 59 0.372 -4.292 8.430 495 H ILE 60 H ILE 60 -0.965 -5.351 3.422 496 HA ILE 60 HA ILE 60 -2.354 -2.961 2.542 497 HB ILE 60 HB ILE 60 -1.101 -3.049 0.419 498 HG12 ILE 60 2HG1 ILE 60 0.686 -5.085 1.777 499 HG13 ILE 60 1HG1 ILE 60 -0.475 -5.479 0.515 500 HG21 ILE 60 1HG2 ILE 60 -0.393 -1.552 2.167 501 HG22 ILE 60 2HG2 ILE 60 1.020 -2.184 1.323 502 HG23 ILE 60 3HG2 ILE 60 0.578 -2.824 2.907 503 HD11 ILE 60 3HD1 ILE 60 0.727 -4.058 -1.047 504 HD12 ILE 60 1HD1 ILE 60 1.797 -5.275 -0.358 505 HD13 ILE 60 2HD1 ILE 60 1.865 -3.609 0.219 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -15.398 5.263 5.515 2 H2 MET 1 2HT MET 1 -16.728 4.934 6.509 3 H3 MET 1 3HT MET 1 -16.578 4.172 5.018 4 HA MET 1 HA MET 1 -14.762 3.811 7.319 5 HB2 MET 1 2HB MET 1 -17.032 2.770 7.534 6 HB3 MET 1 1HB MET 1 -16.750 1.925 6.023 7 HG2 MET 1 2HG MET 1 -14.874 0.738 7.037 8 HG3 MET 1 1HG MET 1 -15.176 1.584 8.553 9 HE1 MET 1 2HE MET 1 -18.730 0.168 9.552 10 HE2 MET 1 3HE MET 1 -18.434 1.609 8.590 11 HE3 MET 1 1HE MET 1 -17.432 1.272 10.005 12 H SER 2 H SER 2 -12.739 3.631 6.451 13 HA SER 2 HA SER 2 -12.450 1.956 4.080 14 HB2 SER 2 2HB SER 2 -10.873 3.649 3.158 15 HB3 SER 2 1HB SER 2 -12.541 4.216 3.240 16 HG SER 2 HG SER 2 -12.023 5.608 4.756 17 H SER 3 H SER 3 -10.100 1.453 3.686 18 HA SER 3 HA SER 3 -8.265 1.832 5.843 19 HB2 SER 3 2HB SER 3 -9.068 -0.963 4.946 20 HB3 SER 3 1HB SER 3 -7.733 -0.590 6.034 21 HG SER 3 HG SER 3 -9.765 0.657 6.980 22 H GLY 4 H GLY 4 -7.396 3.109 4.207 23 HA2 GLY 4 2HA GLY 4 -5.670 1.623 2.371 24 HA3 GLY 4 1HA GLY 4 -6.749 2.821 1.670 25 H LYS 5 H LYS 5 -6.594 4.748 3.762 26 HA LYS 5 HA LYS 5 -3.994 5.819 3.141 27 HB2 LYS 5 2HB LYS 5 -6.275 7.040 4.715 28 HB3 LYS 5 1HB LYS 5 -4.786 7.865 4.309 29 HG2 LYS 5 2HG LYS 5 -6.803 6.839 2.311 30 HG3 LYS 5 1HG LYS 5 -6.660 8.510 2.849 31 HD2 LYS 5 2HD LYS 5 -4.366 8.588 1.947 32 HD3 LYS 5 1HD LYS 5 -4.543 6.922 1.392 33 HE2 LYS 5 2HE LYS 5 -6.401 7.603 -0.050 34 HE3 LYS 5 1HE LYS 5 -6.228 9.264 0.502 35 HZ1 LYS 5 3HZ LYS 5 -5.147 8.971 -1.619 36 HZ2 LYS 5 1HZ LYS 5 -4.209 7.713 -1.025 37 HZ3 LYS 5 2HZ LYS 5 -3.981 9.282 -0.461 38 H LYS 6 H LYS 6 -2.741 4.383 4.238 39 HA LYS 6 HA LYS 6 -2.672 4.703 7.147 40 HB2 LYS 6 2HB LYS 6 -3.511 2.473 6.391 41 HB3 LYS 6 1HB LYS 6 -2.019 2.254 5.501 42 HG2 LYS 6 2HG LYS 6 -0.773 2.349 7.624 43 HG3 LYS 6 1HG LYS 6 -2.309 2.465 8.489 44 HD2 LYS 6 2HD LYS 6 -2.998 0.321 7.419 45 HD3 LYS 6 1HD LYS 6 -1.382 0.194 6.730 46 HE2 LYS 6 2HE LYS 6 -1.480 -1.144 8.709 47 HE3 LYS 6 1HE LYS 6 -0.461 0.263 9.018 48 HZ1 LYS 6 3HZ LYS 6 -3.292 -0.033 9.849 49 HZ2 LYS 6 1HZ LYS 6 -2.316 1.313 10.175 50 HZ3 LYS 6 2HZ LYS 6 -1.956 -0.177 10.851 51 HA PRO 7 HA PRO 7 1.373 5.973 5.647 52 HB2 PRO 7 2HB PRO 7 2.170 7.201 7.966 53 HB3 PRO 7 1HB PRO 7 1.204 7.968 6.704 54 HG2 PRO 7 2HG PRO 7 0.387 7.113 9.376 55 HG3 PRO 7 1HG PRO 7 -0.414 8.190 8.221 56 HD2 PRO 7 2HD PRO 7 -1.030 5.439 8.802 57 HD3 PRO 7 1HD PRO 7 -1.848 6.549 7.687 58 H VAL 8 H VAL 8 3.548 5.506 6.133 59 HA VAL 8 HA VAL 8 4.036 3.588 8.259 60 HB VAL 8 HB VAL 8 3.558 2.332 6.089 61 HG11 VAL 8 1HG1 VAL 8 4.376 3.875 4.487 62 HG12 VAL 8 2HG1 VAL 8 5.197 2.323 4.316 63 HG13 VAL 8 3HG1 VAL 8 6.021 3.679 5.088 64 HG21 VAL 8 3HG2 VAL 8 5.521 0.856 6.214 65 HG22 VAL 8 1HG2 VAL 8 4.911 1.288 7.811 66 HG23 VAL 8 2HG2 VAL 8 6.357 2.074 7.179 67 H LYS 9 H LYS 9 6.254 3.670 8.962 68 HA LYS 9 HA LYS 9 7.647 6.055 8.332 69 HB2 LYS 9 2HB LYS 9 8.389 3.585 9.881 70 HB3 LYS 9 1HB LYS 9 9.529 4.886 9.598 71 HG2 LYS 9 2HG LYS 9 7.980 6.433 10.745 72 HG3 LYS 9 1HG LYS 9 6.926 5.062 11.104 73 HD2 LYS 9 2HD LYS 9 8.627 4.016 12.420 74 HD3 LYS 9 1HD LYS 9 9.825 5.206 11.907 75 HE2 LYS 9 2HE LYS 9 7.370 5.754 13.573 76 HE3 LYS 9 1HE LYS 9 9.029 5.665 14.171 77 HZ1 LYS 9 3HZ LYS 9 7.857 7.741 12.380 78 HZ2 LYS 9 1HZ LYS 9 9.532 7.570 12.611 79 HZ3 LYS 9 2HZ LYS 9 8.498 7.934 13.890 80 H VAL 10 H VAL 10 8.498 6.316 6.391 81 HA VAL 10 HA VAL 10 10.024 4.092 5.344 82 HB VAL 10 HB VAL 10 7.917 4.364 4.140 83 HG11 VAL 10 1HG1 VAL 10 8.888 7.108 3.419 84 HG12 VAL 10 2HG1 VAL 10 7.487 6.701 4.411 85 HG13 VAL 10 3HG1 VAL 10 7.503 6.295 2.691 86 HG21 VAL 10 3HG2 VAL 10 10.333 5.074 2.492 87 HG22 VAL 10 1HG2 VAL 10 8.790 4.483 1.859 88 HG23 VAL 10 2HG2 VAL 10 9.747 3.458 2.922 89 H LYS 11 H LYS 11 11.926 4.548 4.569 90 HA LYS 11 HA LYS 11 13.026 7.119 5.246 91 HB2 LYS 11 2HB LYS 11 14.321 4.593 4.208 92 HB3 LYS 11 1HB LYS 11 15.200 6.063 4.609 93 HG2 LYS 11 2HG LYS 11 14.462 5.904 6.914 94 HG3 LYS 11 1HG LYS 11 13.547 4.449 6.533 95 HD2 LYS 11 2HD LYS 11 15.602 3.289 5.946 96 HD3 LYS 11 1HD LYS 11 16.536 4.754 6.260 97 HE2 LYS 11 2HE LYS 11 15.811 4.731 8.583 98 HE3 LYS 11 1HE LYS 11 14.863 3.278 8.290 99 HZ1 LYS 11 3HZ LYS 11 16.897 2.080 7.822 100 HZ2 LYS 11 1HZ LYS 11 16.964 2.807 9.333 101 HZ3 LYS 11 2HZ LYS 11 17.819 3.484 8.062 102 H THR 12 H THR 12 13.212 8.672 3.898 103 HA THR 12 HA THR 12 12.365 8.185 1.179 104 HB THR 12 HB THR 12 12.119 10.624 1.036 105 HG1 THR 12 1HG THR 12 12.906 10.545 3.805 106 HG21 THR 12 3HG2 THR 12 10.227 9.280 1.776 107 HG22 THR 12 1HG2 THR 12 10.242 10.821 2.632 108 HG23 THR 12 2HG2 THR 12 10.805 9.360 3.443 109 HA PRO 13 HA PRO 13 16.401 8.904 -0.571 110 HB2 PRO 13 2HB PRO 13 15.194 10.383 -2.815 111 HB3 PRO 13 1HB PRO 13 15.989 8.804 -2.811 112 HG2 PRO 13 2HG PRO 13 13.344 9.031 -3.199 113 HG3 PRO 13 1HG PRO 13 14.060 7.664 -2.321 114 HD2 PRO 13 2HD PRO 13 12.776 10.142 -1.240 115 HD3 PRO 13 1HD PRO 13 12.522 8.453 -0.758 116 H ALA 14 H ALA 14 14.188 11.453 0.003 117 HA ALA 14 HA ALA 14 15.711 13.734 -0.376 118 HB1 ALA 14 1HB ALA 14 14.254 14.770 1.311 119 HB2 ALA 14 2HB ALA 14 13.695 13.175 1.808 120 HB3 ALA 14 3HB ALA 14 13.321 13.773 0.193 121 H GLY 15 H GLY 15 15.682 11.366 2.238 122 HA2 GLY 15 2HA GLY 15 18.081 11.083 2.995 123 HA3 GLY 15 1HA GLY 15 17.967 12.782 3.404 124 H LYS 16 H LYS 16 15.026 12.046 4.289 125 HA LYS 16 HA LYS 16 15.978 11.159 6.928 126 HB2 LYS 16 2HB LYS 16 14.635 12.746 8.027 127 HB3 LYS 16 1HB LYS 16 15.342 13.610 6.687 128 HG2 LYS 16 2HG LYS 16 12.540 12.522 6.773 129 HG3 LYS 16 1HG LYS 16 12.972 14.207 7.074 130 HD2 LYS 16 2HD LYS 16 13.804 14.308 4.727 131 HD3 LYS 16 1HD LYS 16 13.252 12.645 4.498 132 HE2 LYS 16 2HE LYS 16 11.544 14.039 3.634 133 HE3 LYS 16 1HE LYS 16 10.955 13.433 5.182 134 HZ1 LYS 16 3HZ LYS 16 12.006 16.105 4.531 135 HZ2 LYS 16 1HZ LYS 16 11.734 15.634 6.146 136 HZ3 LYS 16 2HZ LYS 16 10.462 15.716 5.061 137 H GLU 17 H GLU 17 14.084 10.481 8.376 138 HA GLU 17 HA GLU 17 12.547 8.415 7.069 139 HB2 GLU 17 2HB GLU 17 13.607 7.977 9.257 140 HB3 GLU 17 1HB GLU 17 12.720 9.321 9.959 141 HG2 GLU 17 2HG GLU 17 10.606 8.117 9.442 142 HG3 GLU 17 1HG GLU 17 11.586 6.750 8.905 143 H ALA 18 H ALA 18 10.490 8.747 6.435 144 HA ALA 18 HA ALA 18 9.046 10.925 7.692 145 HB1 ALA 18 1HB ALA 18 9.868 11.726 5.536 146 HB2 ALA 18 2HB ALA 18 8.110 11.570 5.534 147 HB3 ALA 18 3HB ALA 18 9.101 10.358 4.728 148 H GLU 19 H GLU 19 6.890 10.514 7.941 149 HA GLU 19 HA GLU 19 6.143 7.785 7.373 150 HB2 GLU 19 2HB GLU 19 4.939 9.875 9.182 151 HB3 GLU 19 1HB GLU 19 4.168 8.322 8.863 152 HG2 GLU 19 2HG GLU 19 6.078 7.145 9.735 153 HG3 GLU 19 1HG GLU 19 6.941 8.658 9.973 154 H LEU 20 H LEU 20 5.422 7.512 5.531 155 HA LEU 20 HA LEU 20 3.782 9.590 4.280 156 HB2 LEU 20 2HB LEU 20 5.718 7.655 3.064 157 HB3 LEU 20 1HB LEU 20 4.629 8.670 2.129 158 HG LEU 20 HG LEU 20 6.885 9.634 3.905 159 HD11 LEU 20 1HD1 LEU 20 7.667 8.495 1.889 160 HD12 LEU 20 2HD1 LEU 20 7.978 10.227 1.810 161 HD13 LEU 20 3HD1 LEU 20 6.641 9.534 0.901 162 HD21 LEU 20 3HD2 LEU 20 5.078 11.274 3.789 163 HD22 LEU 20 1HD2 LEU 20 5.075 11.134 2.024 164 HD23 LEU 20 2HD2 LEU 20 6.481 11.796 2.845 165 H VAL 21 H VAL 21 1.933 8.968 3.409 166 HA VAL 21 HA VAL 21 1.146 6.223 3.697 167 HB VAL 21 HB VAL 21 -0.461 7.854 4.442 168 HG11 VAL 21 1HG1 VAL 21 0.222 9.794 3.216 169 HG12 VAL 21 2HG1 VAL 21 -1.496 9.496 2.950 170 HG13 VAL 21 3HG1 VAL 21 -0.324 9.074 1.700 171 HG21 VAL 21 3HG2 VAL 21 -2.428 7.300 3.067 172 HG22 VAL 21 1HG2 VAL 21 -1.424 5.889 3.409 173 HG23 VAL 21 2HG2 VAL 21 -1.356 6.661 1.822 174 HA PRO 22 HA PRO 22 2.498 5.361 -0.447 175 HB2 PRO 22 2HB PRO 22 0.702 3.036 -0.203 176 HB3 PRO 22 1HB PRO 22 2.430 3.080 -0.547 177 HG2 PRO 22 2HG PRO 22 1.464 2.262 1.832 178 HG3 PRO 22 1HG PRO 22 3.013 3.108 1.672 179 HD2 PRO 22 2HD PRO 22 0.391 4.118 2.653 180 HD3 PRO 22 1HD PRO 22 2.045 4.551 3.139 181 H GLU 23 H GLU 23 1.712 5.930 -2.291 182 HA GLU 23 HA GLU 23 -0.920 6.985 -2.605 183 HB2 GLU 23 2HB GLU 23 1.265 7.820 -3.599 184 HB3 GLU 23 1HB GLU 23 1.210 6.445 -4.683 185 HG2 GLU 23 2HG GLU 23 0.437 8.451 -5.777 186 HG3 GLU 23 1HG GLU 23 -0.880 7.284 -5.620 187 H LYS 24 H LYS 24 0.796 4.093 -3.427 188 HA LYS 24 HA LYS 24 -1.590 2.657 -4.204 189 HB2 LYS 24 2HB LYS 24 -0.809 3.666 -6.321 190 HB3 LYS 24 1HB LYS 24 0.801 3.037 -6.042 191 HG2 LYS 24 2HG LYS 24 -0.095 0.740 -6.270 192 HG3 LYS 24 1HG LYS 24 -1.688 1.422 -6.613 193 HD2 LYS 24 2HD LYS 24 -0.782 2.581 -8.566 194 HD3 LYS 24 1HD LYS 24 0.822 1.949 -8.211 195 HE2 LYS 24 2HE LYS 24 -1.600 0.269 -8.899 196 HE3 LYS 24 1HE LYS 24 -0.327 0.722 -10.023 197 HZ1 LYS 24 3HZ LYS 24 -0.011 -0.996 -7.617 198 HZ2 LYS 24 1HZ LYS 24 1.259 -0.509 -8.640 199 HZ3 LYS 24 2HZ LYS 24 0.018 -1.483 -9.213 200 H VAL 25 H VAL 25 -1.304 0.479 -3.560 201 HA VAL 25 HA VAL 25 1.420 -0.311 -2.803 202 HB VAL 25 HB VAL 25 0.523 -1.686 -0.962 203 HG11 VAL 25 1HG1 VAL 25 -0.080 0.074 0.609 204 HG12 VAL 25 2HG1 VAL 25 -0.342 1.174 -0.743 205 HG13 VAL 25 3HG1 VAL 25 1.273 0.544 -0.424 206 HG21 VAL 25 3HG2 VAL 25 -2.146 -0.429 -1.587 207 HG22 VAL 25 1HG2 VAL 25 -1.796 -1.448 -0.189 208 HG23 VAL 25 2HG2 VAL 25 -1.720 -2.125 -1.819 209 H TRP 26 H TRP 26 2.019 -2.410 -3.285 210 HA TRP 26 HA TRP 26 0.077 -4.262 -4.252 211 HB2 TRP 26 2HB TRP 26 1.228 -4.651 -6.429 212 HB3 TRP 26 1HB TRP 26 0.501 -3.059 -6.339 213 HD1 TRP 26 HD TRP 26 3.736 -4.812 -6.992 214 HE1 TRP 26 1HE TRP 26 5.582 -3.093 -7.525 215 HE3 TRP 26 3HE TRP 26 1.328 -0.558 -5.593 216 HZ2 TRP 26 2HZ TRP 26 5.964 -0.307 -7.369 217 HZ3 TRP 26 3HZ TRP 26 2.494 1.595 -5.815 218 HH2 TRP 26 HH TRP 26 4.755 1.720 -6.674 219 H ALA 27 H ALA 27 1.116 -6.420 -4.607 220 HA ALA 27 HA ALA 27 3.698 -6.601 -3.253 221 HB1 ALA 27 1HB ALA 27 1.303 -8.278 -2.513 222 HB2 ALA 27 2HB ALA 27 1.978 -6.961 -1.555 223 HB3 ALA 27 3HB ALA 27 2.930 -8.420 -1.841 224 H LEU 28 H LEU 28 5.035 -7.900 -4.181 225 HA LEU 28 HA LEU 28 4.060 -9.699 -6.269 226 HB2 LEU 28 2HB LEU 28 6.863 -8.747 -5.630 227 HB3 LEU 28 1HB LEU 28 6.517 -9.921 -6.856 228 HG LEU 28 HG LEU 28 5.215 -8.116 -8.083 229 HD11 LEU 28 1HD1 LEU 28 4.802 -6.621 -6.204 230 HD12 LEU 28 2HD1 LEU 28 5.664 -5.797 -7.508 231 HD13 LEU 28 3HD1 LEU 28 6.533 -6.312 -6.064 232 HD21 LEU 28 3HD2 LEU 28 7.476 -8.744 -8.729 233 HD22 LEU 28 1HD2 LEU 28 8.134 -7.608 -7.550 234 HD23 LEU 28 2HD2 LEU 28 7.221 -7.010 -8.933 235 H ALA 29 H ALA 29 3.379 -11.470 -5.181 236 HA ALA 29 HA ALA 29 5.411 -12.845 -3.580 237 HB1 ALA 29 1HB ALA 29 2.442 -12.796 -3.039 238 HB2 ALA 29 2HB ALA 29 3.667 -11.929 -2.114 239 HB3 ALA 29 3HB ALA 29 3.651 -13.693 -2.123 240 HA PRO 30 HA PRO 30 4.483 -15.694 -7.018 241 HB2 PRO 30 2HB PRO 30 6.908 -16.985 -5.892 242 HB3 PRO 30 1HB PRO 30 6.565 -16.527 -7.560 243 HG2 PRO 30 2HG PRO 30 8.308 -15.139 -6.095 244 HG3 PRO 30 1HG PRO 30 7.220 -14.329 -7.232 245 HD2 PRO 30 2HD PRO 30 7.025 -14.534 -4.256 246 HD3 PRO 30 1HD PRO 30 6.677 -13.155 -5.317 247 H LYS 31 H LYS 31 6.019 -17.037 -4.082 248 HA LYS 31 HA LYS 31 3.941 -18.303 -2.836 249 HB2 LYS 31 2HB LYS 31 3.556 -19.597 -4.905 250 HB3 LYS 31 1HB LYS 31 5.232 -20.130 -4.893 251 HG2 LYS 31 2HG LYS 31 4.784 -21.229 -2.705 252 HG3 LYS 31 1HG LYS 31 3.081 -20.823 -2.918 253 HD2 LYS 31 2HD LYS 31 2.942 -22.167 -4.888 254 HD3 LYS 31 1HD LYS 31 4.688 -22.430 -4.891 255 HE2 LYS 31 2HE LYS 31 2.748 -23.368 -2.786 256 HE3 LYS 31 1HE LYS 31 3.534 -24.380 -4.004 257 HZ1 LYS 31 3HZ LYS 31 4.842 -22.943 -1.757 258 HZ2 LYS 31 1HZ LYS 31 5.682 -23.691 -3.018 259 HZ3 LYS 31 2HZ LYS 31 4.724 -24.595 -1.981 260 H GLY 32 H GLY 32 4.909 -18.573 -0.895 261 HA2 GLY 32 2HA GLY 32 6.466 -19.072 0.728 262 HA3 GLY 32 1HA GLY 32 7.011 -20.341 -0.358 263 H ARG 33 H ARG 33 7.071 -16.840 -0.633 264 HA ARG 33 HA ARG 33 9.988 -16.864 -0.889 265 HB2 ARG 33 2HB ARG 33 8.504 -17.047 -3.093 266 HB3 ARG 33 1HB ARG 33 8.197 -15.362 -2.761 267 HG2 ARG 33 2HG ARG 33 9.937 -15.521 -4.377 268 HG3 ARG 33 1HG ARG 33 10.620 -14.936 -2.856 269 HD2 ARG 33 2HD ARG 33 11.570 -17.029 -2.362 270 HD3 ARG 33 1HD ARG 33 10.616 -17.832 -3.612 271 HE ARG 33 HE ARG 33 12.465 -15.785 -4.467 272 HH11 ARG 33 1HH1 ARG 33 11.931 -19.251 -3.953 273 HH12 ARG 33 2HH1 ARG 33 13.025 -19.746 -5.156 274 HH21 ARG 33 1HH2 ARG 33 13.940 -16.457 -6.094 275 HH22 ARG 33 2HH2 ARG 33 14.212 -18.117 -6.411 276 H LYS 34 H LYS 34 10.562 -14.350 -0.987 277 HA LYS 34 HA LYS 34 9.160 -13.000 1.080 278 HB2 LYS 34 2HB LYS 34 11.397 -12.261 -0.773 279 HB3 LYS 34 1HB LYS 34 10.528 -10.972 0.037 280 HG2 LYS 34 2HG LYS 34 12.566 -11.554 1.220 281 HG3 LYS 34 1HG LYS 34 11.151 -11.908 2.198 282 HD2 LYS 34 2HD LYS 34 11.341 -14.271 1.598 283 HD3 LYS 34 1HD LYS 34 12.766 -13.900 0.620 284 HE2 LYS 34 2HE LYS 34 13.423 -14.759 2.811 285 HE3 LYS 34 1HE LYS 34 13.922 -13.082 2.603 286 HZ1 LYS 34 3HZ LYS 34 12.988 -13.502 4.796 287 HZ2 LYS 34 1HZ LYS 34 11.527 -13.975 4.118 288 HZ3 LYS 34 2HZ LYS 34 12.058 -12.381 3.977 289 H GLY 35 H GLY 35 7.146 -12.415 0.758 290 HA2 GLY 35 2HA GLY 35 6.138 -11.575 -1.773 291 HA3 GLY 35 1HA GLY 35 5.297 -11.488 -0.223 292 H VAL 36 H VAL 36 7.381 -9.898 -2.414 293 HA VAL 36 HA VAL 36 7.927 -7.799 -0.594 294 HB VAL 36 HB VAL 36 9.079 -6.636 -2.508 295 HG11 VAL 36 1HG1 VAL 36 10.306 -8.027 -0.944 296 HG12 VAL 36 2HG1 VAL 36 10.973 -8.205 -2.565 297 HG13 VAL 36 3HG1 VAL 36 9.934 -9.465 -1.894 298 HG21 VAL 36 3HG2 VAL 36 7.872 -7.567 -4.379 299 HG22 VAL 36 1HG2 VAL 36 8.429 -9.197 -3.974 300 HG23 VAL 36 2HG2 VAL 36 9.581 -7.975 -4.518 301 H LYS 37 H LYS 37 6.389 -6.762 0.050 302 HA LYS 37 HA LYS 37 4.289 -5.643 -1.537 303 HB2 LYS 37 2HB LYS 37 5.249 -5.072 1.274 304 HB3 LYS 37 1HB LYS 37 3.748 -4.469 0.590 305 HG2 LYS 37 2HG LYS 37 2.889 -6.718 0.403 306 HG3 LYS 37 1HG LYS 37 4.434 -7.385 0.913 307 HD2 LYS 37 2HD LYS 37 4.141 -6.310 3.130 308 HD3 LYS 37 1HD LYS 37 2.598 -5.668 2.576 309 HE2 LYS 37 2HE LYS 37 1.678 -7.844 2.294 310 HE3 LYS 37 1HE LYS 37 3.227 -8.612 2.597 311 HZ1 LYS 37 3HZ LYS 37 1.718 -8.686 4.514 312 HZ2 LYS 37 1HZ LYS 37 1.707 -7.009 4.588 313 HZ3 LYS 37 2HZ LYS 37 3.127 -7.880 4.879 314 H ILE 38 H ILE 38 4.448 -3.752 -2.605 315 HA ILE 38 HA ILE 38 6.633 -1.954 -1.868 316 HB ILE 38 HB ILE 38 5.836 -2.587 -4.742 317 HG12 ILE 38 2HG1 ILE 38 8.346 -3.388 -3.246 318 HG13 ILE 38 1HG1 ILE 38 7.036 -4.485 -3.640 319 HG21 ILE 38 1HG2 ILE 38 6.651 -0.307 -4.428 320 HG22 ILE 38 2HG2 ILE 38 7.820 -1.261 -5.339 321 HG23 ILE 38 3HG2 ILE 38 8.099 -0.916 -3.633 322 HD11 ILE 38 3HD1 ILE 38 7.483 -4.111 -6.027 323 HD12 ILE 38 1HD1 ILE 38 8.885 -4.754 -5.170 324 HD13 ILE 38 2HD1 ILE 38 8.816 -3.042 -5.590 325 H GLY 39 H GLY 39 6.131 0.138 -1.893 326 HA2 GLY 39 2HA GLY 39 3.425 0.805 -2.786 327 HA3 GLY 39 1HA GLY 39 4.056 1.391 -1.255 328 H LEU 40 H LEU 40 3.191 2.728 -3.681 329 HA LEU 40 HA LEU 40 5.656 4.046 -4.499 330 HB2 LEU 40 2HB LEU 40 4.018 3.451 -6.227 331 HB3 LEU 40 1HB LEU 40 2.805 4.430 -5.459 332 HG LEU 40 HG LEU 40 4.270 6.432 -5.904 333 HD11 LEU 40 1HD1 LEU 40 5.807 4.434 -7.550 334 HD12 LEU 40 2HD1 LEU 40 6.406 5.311 -6.137 335 HD13 LEU 40 3HD1 LEU 40 6.014 6.180 -7.618 336 HD21 LEU 40 3HD2 LEU 40 2.387 5.937 -7.341 337 HD22 LEU 40 1HD2 LEU 40 3.388 4.801 -8.260 338 HD23 LEU 40 2HD2 LEU 40 3.768 6.519 -8.288 339 H PHE 41 H PHE 41 6.268 5.861 -3.622 340 HA PHE 41 HA PHE 41 4.399 7.300 -1.873 341 HB2 PHE 41 2HB PHE 41 7.367 6.876 -1.645 342 HB3 PHE 41 1HB PHE 41 6.432 7.926 -0.604 343 HD1 PHE 41 2HD PHE 41 4.774 6.909 0.942 344 HD2 PHE 41 1HD PHE 41 7.484 4.549 -1.318 345 HE1 PHE 41 2HE PHE 41 4.379 5.019 2.451 346 HE2 PHE 41 1HE PHE 41 7.094 2.652 0.194 347 HZ PHE 41 HZ PHE 41 5.541 2.890 2.078 348 H LYS 42 H LYS 42 5.454 9.558 -1.479 349 HA LYS 42 HA LYS 42 6.614 10.594 -3.935 350 HB2 LYS 42 2HB LYS 42 4.191 11.184 -3.823 351 HB3 LYS 42 1HB LYS 42 4.470 11.928 -2.255 352 HG2 LYS 42 2HG LYS 42 5.964 13.571 -3.308 353 HG3 LYS 42 1HG LYS 42 5.651 12.835 -4.880 354 HD2 LYS 42 2HD LYS 42 3.294 13.362 -4.690 355 HD3 LYS 42 1HD LYS 42 3.549 14.011 -3.073 356 HE2 LYS 42 2HE LYS 42 3.381 15.852 -4.602 357 HE3 LYS 42 1HE LYS 42 5.055 15.726 -4.074 358 HZ1 LYS 42 3HZ LYS 42 4.877 16.145 -6.428 359 HZ2 LYS 42 1HZ LYS 42 3.955 14.776 -6.663 360 HZ3 LYS 42 2HZ LYS 42 5.590 14.649 -6.214 361 H ASP 43 H ASP 43 8.409 11.573 -3.513 362 HA ASP 43 HA ASP 43 9.581 11.707 -0.977 363 HB2 ASP 43 2HB ASP 43 10.786 11.528 -3.121 364 HB3 ASP 43 1HB ASP 43 10.293 13.154 -3.530 365 HA PRO 44 HA PRO 44 7.476 15.382 0.448 366 HB2 PRO 44 2HB PRO 44 9.683 15.644 2.316 367 HB3 PRO 44 1HB PRO 44 7.961 15.464 2.650 368 HG2 PRO 44 2HG PRO 44 9.619 13.422 3.125 369 HG3 PRO 44 1HG PRO 44 8.012 13.164 2.425 370 HD2 PRO 44 2HD PRO 44 10.669 13.200 1.054 371 HD3 PRO 44 1HD PRO 44 9.288 12.090 0.864 372 H GLU 45 H GLU 45 10.993 15.566 0.010 373 HA GLU 45 HA GLU 45 10.719 18.444 -0.166 374 HB2 GLU 45 2HB GLU 45 13.126 16.694 0.078 375 HB3 GLU 45 1HB GLU 45 13.298 18.332 -0.526 376 HG2 GLU 45 2HG GLU 45 13.774 18.307 1.823 377 HG3 GLU 45 1HG GLU 45 12.271 19.175 1.552 378 H THR 46 H THR 46 11.815 15.850 -2.275 379 HA THR 46 HA THR 46 12.166 17.869 -4.352 380 HB THR 46 HB THR 46 13.126 15.991 -5.727 381 HG1 THR 46 1HG THR 46 12.678 14.622 -3.273 382 HG21 THR 46 3HG2 THR 46 14.329 16.422 -2.991 383 HG22 THR 46 1HG2 THR 46 14.565 17.464 -4.393 384 HG23 THR 46 2HG2 THR 46 15.191 15.813 -4.402 385 H GLY 47 H GLY 47 9.857 15.542 -3.403 386 HA2 GLY 47 2HA GLY 47 7.676 15.483 -4.099 387 HA3 GLY 47 1HA GLY 47 8.116 16.534 -5.433 388 H LYS 48 H LYS 48 10.200 14.028 -5.491 389 HA LYS 48 HA LYS 48 8.932 12.962 -7.813 390 HB2 LYS 48 2HB LYS 48 10.874 11.465 -7.979 391 HB3 LYS 48 1HB LYS 48 11.347 13.142 -7.775 392 HG2 LYS 48 2HG LYS 48 11.832 12.717 -5.409 393 HG3 LYS 48 1HG LYS 48 11.357 11.028 -5.622 394 HD2 LYS 48 2HD LYS 48 13.132 10.740 -7.268 395 HD3 LYS 48 1HD LYS 48 13.590 12.427 -7.086 396 HE2 LYS 48 2HE LYS 48 13.719 10.293 -4.952 397 HE3 LYS 48 1HE LYS 48 15.085 10.961 -5.834 398 HZ1 LYS 48 3HZ LYS 48 15.098 12.107 -3.825 399 HZ2 LYS 48 1HZ LYS 48 13.423 12.313 -3.760 400 HZ3 LYS 48 2HZ LYS 48 14.343 13.169 -4.866 401 H TYR 49 H TYR 49 7.901 11.069 -8.105 402 HA TYR 49 HA TYR 49 6.984 9.700 -5.745 403 HB2 TYR 49 2HB TYR 49 6.359 9.352 -8.681 404 HB3 TYR 49 1HB TYR 49 5.736 8.268 -7.442 405 HD1 TYR 49 1HD TYR 49 5.601 11.708 -8.755 406 HD2 TYR 49 2HD TYR 49 3.926 8.916 -6.024 407 HE1 TYR 49 1HE TYR 49 3.687 13.216 -8.392 408 HE2 TYR 49 2HE TYR 49 2.010 10.407 -5.656 409 HH TYR 49 HH TYR 49 1.348 13.079 -7.636 410 H PHE 50 H PHE 50 7.926 8.013 -4.892 411 HA PHE 50 HA PHE 50 9.728 6.462 -6.608 412 HB2 PHE 50 2HB PHE 50 11.362 6.281 -4.818 413 HB3 PHE 50 1HB PHE 50 11.045 7.980 -5.113 414 HD1 PHE 50 1HD PHE 50 9.618 9.259 -3.422 415 HD2 PHE 50 2HD PHE 50 11.024 5.298 -2.710 416 HE1 PHE 50 1HE PHE 50 9.206 9.544 -0.998 417 HE2 PHE 50 2HE PHE 50 10.613 5.576 -0.302 418 HZ PHE 50 HZ PHE 50 9.713 7.681 0.564 419 H ARG 51 H ARG 51 9.540 4.281 -6.376 420 HA ARG 51 HA ARG 51 7.613 3.373 -4.442 421 HB2 ARG 51 2HB ARG 51 7.864 1.193 -5.723 422 HB3 ARG 51 1HB ARG 51 7.060 2.510 -6.563 423 HG2 ARG 51 2HG ARG 51 9.160 2.953 -7.765 424 HG3 ARG 51 1HG ARG 51 9.904 1.574 -6.951 425 HD2 ARG 51 2HD ARG 51 8.386 0.047 -7.994 426 HD3 ARG 51 1HD ARG 51 7.398 1.364 -8.613 427 HE ARG 51 HE ARG 51 9.846 1.807 -9.678 428 HH11 ARG 51 1HH1 ARG 51 7.687 -1.047 -9.715 429 HH12 ARG 51 2HH1 ARG 51 8.052 -1.469 -11.311 430 HH21 ARG 51 1HH2 ARG 51 10.346 1.170 -11.928 431 HH22 ARG 51 2HH2 ARG 51 9.561 -0.176 -12.597 432 H HIS 52 H HIS 52 8.082 2.087 -2.820 433 HA HIS 52 HA HIS 52 10.851 1.227 -2.467 434 HB2 HIS 52 2HB HIS 52 10.507 3.451 -1.324 435 HB3 HIS 52 1HB HIS 52 9.217 2.730 -0.386 436 HD1 HIS 52 1HD HIS 52 9.970 1.068 1.579 437 HD2 HIS 52 2HD HIS 52 13.103 2.901 -0.461 438 HE1 HIS 52 1HE HIS 52 11.955 0.796 3.029 439 HE2 HIS 52 2HE HIS 52 13.823 1.962 1.843 440 H LYS 53 H LYS 53 10.909 -0.774 -1.385 441 HA LYS 53 HA LYS 53 8.405 -2.057 -1.207 442 HB2 LYS 53 2HB LYS 53 9.575 -4.097 -0.611 443 HB3 LYS 53 1HB LYS 53 10.439 -3.313 -1.903 444 HG2 LYS 53 2HG LYS 53 12.144 -4.061 -0.558 445 HG3 LYS 53 1HG LYS 53 11.963 -2.393 -0.014 446 HD2 LYS 53 2HD LYS 53 12.202 -3.820 1.918 447 HD3 LYS 53 1HD LYS 53 10.544 -3.230 1.863 448 HE2 LYS 53 2HE LYS 53 9.845 -5.403 0.842 449 HE3 LYS 53 1HE LYS 53 11.506 -5.972 0.996 450 HZ1 LYS 53 3HZ LYS 53 9.775 -5.101 3.218 451 HZ2 LYS 53 1HZ LYS 53 11.324 -5.758 3.383 452 HZ3 LYS 53 2HZ LYS 53 10.037 -6.722 2.840 453 H LEU 54 H LEU 54 7.304 -2.723 0.517 454 HA LEU 54 HA LEU 54 7.495 -0.872 2.744 455 HB2 LEU 54 2HB LEU 54 5.401 -2.990 2.361 456 HB3 LEU 54 1HB LEU 54 5.300 -1.526 3.250 457 HG LEU 54 HG LEU 54 5.415 -1.575 0.244 458 HD11 LEU 54 1HD1 LEU 54 3.071 -0.937 0.347 459 HD12 LEU 54 2HD1 LEU 54 3.106 -1.070 2.102 460 HD13 LEU 54 3HD1 LEU 54 3.321 -2.509 1.112 461 HD21 LEU 54 3HD2 LEU 54 4.958 0.630 2.230 462 HD22 LEU 54 1HD2 LEU 54 4.804 0.771 0.475 463 HD23 LEU 54 2HD2 LEU 54 6.375 0.406 1.191 464 HA PRO 55 HA PRO 55 8.781 -4.019 5.650 465 HB2 PRO 55 2HB PRO 55 6.377 -3.530 7.329 466 HB3 PRO 55 1HB PRO 55 8.083 -3.331 7.750 467 HG2 PRO 55 2HG PRO 55 6.555 -1.186 7.384 468 HG3 PRO 55 1HG PRO 55 8.219 -1.221 6.762 469 HD2 PRO 55 2HD PRO 55 5.661 -1.796 5.316 470 HD3 PRO 55 1HD PRO 55 6.934 -0.723 4.755 471 H ASP 56 H ASP 56 8.398 -6.195 5.822 472 HA ASP 56 HA ASP 56 6.427 -7.284 4.108 473 HB2 ASP 56 2HB ASP 56 7.883 -8.882 6.225 474 HB3 ASP 56 1HB ASP 56 7.298 -9.435 4.664 475 H ASP 57 H ASP 57 6.684 -6.607 7.403 476 HA ASP 57 HA ASP 57 4.445 -8.135 8.358 477 HB2 ASP 57 2HB ASP 57 6.459 -7.704 9.701 478 HB3 ASP 57 1HB ASP 57 6.124 -5.983 9.656 479 H TYR 58 H TYR 58 4.604 -5.334 6.591 480 HA TYR 58 HA TYR 58 2.652 -3.785 7.996 481 HB2 TYR 58 2HB TYR 58 4.436 -2.762 6.692 482 HB3 TYR 58 1HB TYR 58 3.855 -3.570 5.258 483 HD1 TYR 58 2HD TYR 58 2.769 -1.079 7.837 484 HD2 TYR 58 1HD TYR 58 2.438 -2.438 3.830 485 HE1 TYR 58 2HE TYR 58 1.382 0.889 7.284 486 HE2 TYR 58 1HE TYR 58 1.066 -0.485 3.268 487 HH TYR 58 HH TYR 58 0.703 2.212 5.295 488 HA PRO 59 HA PRO 59 -0.600 -6.151 5.968 489 HB2 PRO 59 2HB PRO 59 -2.629 -4.787 7.362 490 HB3 PRO 59 1HB PRO 59 -1.896 -6.322 7.811 491 HG2 PRO 59 2HG PRO 59 -1.663 -3.892 9.208 492 HG3 PRO 59 1HG PRO 59 -0.706 -5.355 9.479 493 HD2 PRO 59 2HD PRO 59 0.004 -2.874 8.007 494 HD3 PRO 59 1HD PRO 59 1.033 -4.031 8.879 495 H ILE 60 H ILE 60 -0.952 -5.583 3.958 496 HA ILE 60 HA ILE 60 -2.010 -2.938 3.405 497 HB ILE 60 HB ILE 60 -1.545 -3.457 0.962 498 HG12 ILE 60 2HG1 ILE 60 0.086 -5.755 2.080 499 HG13 ILE 60 1HG1 ILE 60 -1.429 -5.974 1.222 500 HG21 ILE 60 1HG2 ILE 60 0.882 -3.078 1.173 501 HG22 ILE 60 2HG2 ILE 60 0.749 -3.468 2.894 502 HG23 ILE 60 3HG2 ILE 60 -0.084 -2.061 2.244 503 HD11 ILE 60 3HD1 ILE 60 1.110 -4.800 0.111 504 HD12 ILE 60 1HD1 ILE 60 -0.412 -4.957 -0.771 505 HD13 ILE 60 2HD1 ILE 60 0.441 -6.400 -0.225 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -11.087 1.251 1.084 2 H2 MET 1 2HT MET 1 -11.355 2.465 2.214 3 H3 MET 1 3HT MET 1 -10.184 2.672 1.022 4 HA MET 1 HA MET 1 -11.754 2.721 -0.696 5 HB2 MET 1 2HB MET 1 -13.396 1.161 0.384 6 HB3 MET 1 1HB MET 1 -13.855 2.441 1.487 7 HG2 MET 1 2HG MET 1 -14.157 2.744 -1.491 8 HG3 MET 1 1HG MET 1 -15.373 1.926 -0.528 9 HE1 MET 1 2HE MET 1 -16.746 4.798 1.741 10 HE2 MET 1 3HE MET 1 -15.492 3.634 2.160 11 HE3 MET 1 1HE MET 1 -16.912 3.113 1.252 12 H SER 2 H SER 2 -12.978 4.218 2.355 13 HA SER 2 HA SER 2 -12.699 6.765 1.051 14 HB2 SER 2 2HB SER 2 -13.881 7.455 3.225 15 HB3 SER 2 1HB SER 2 -14.789 6.466 2.076 16 HG SER 2 HG SER 2 -14.545 5.909 4.499 17 H SER 3 H SER 3 -11.530 4.944 3.838 18 HA SER 3 HA SER 3 -9.461 6.973 4.159 19 HB2 SER 3 2HB SER 3 -11.142 7.044 6.004 20 HB3 SER 3 1HB SER 3 -10.749 5.365 6.376 21 HG SER 3 HG SER 3 -9.213 7.679 6.644 22 H GLY 4 H GLY 4 -7.743 6.056 3.292 23 HA2 GLY 4 2HA GLY 4 -7.079 3.335 4.151 24 HA3 GLY 4 1HA GLY 4 -6.545 4.067 2.635 25 H LYS 5 H LYS 5 -6.715 5.298 5.898 26 HA LYS 5 HA LYS 5 -4.215 6.629 5.640 27 HB2 LYS 5 2HB LYS 5 -6.016 6.287 8.034 28 HB3 LYS 5 1HB LYS 5 -4.557 7.258 8.034 29 HG2 LYS 5 2HG LYS 5 -6.948 7.744 6.263 30 HG3 LYS 5 1HG LYS 5 -6.623 8.580 7.779 31 HD2 LYS 5 2HD LYS 5 -4.475 9.381 6.806 32 HD3 LYS 5 1HD LYS 5 -4.940 8.641 5.272 33 HE2 LYS 5 2HE LYS 5 -5.453 11.021 5.253 34 HE3 LYS 5 1HE LYS 5 -6.932 10.065 5.187 35 HZ1 LYS 5 3HZ LYS 5 -7.277 10.481 7.546 36 HZ2 LYS 5 1HZ LYS 5 -7.115 11.940 6.726 37 HZ3 LYS 5 2HZ LYS 5 -5.838 11.364 7.635 38 H LYS 6 H LYS 6 -2.908 4.837 5.181 39 HA LYS 6 HA LYS 6 -1.894 3.675 7.660 40 HB2 LYS 6 2HB LYS 6 -2.127 2.368 4.959 41 HB3 LYS 6 1HB LYS 6 -0.973 1.801 6.146 42 HG2 LYS 6 2HG LYS 6 -3.961 1.924 6.536 43 HG3 LYS 6 1HG LYS 6 -3.034 0.478 6.124 44 HD2 LYS 6 2HD LYS 6 -1.748 0.757 8.221 45 HD3 LYS 6 1HD LYS 6 -2.767 2.133 8.633 46 HE2 LYS 6 2HE LYS 6 -4.740 0.619 8.531 47 HE3 LYS 6 1HE LYS 6 -3.628 -0.727 8.285 48 HZ1 LYS 6 3HZ LYS 6 -2.605 -0.213 10.418 49 HZ2 LYS 6 1HZ LYS 6 -4.247 -0.509 10.621 50 HZ3 LYS 6 2HZ LYS 6 -3.640 1.070 10.639 51 HA PRO 7 HA PRO 7 1.487 6.011 5.807 52 HB2 PRO 7 2HB PRO 7 2.027 7.551 8.027 53 HB3 PRO 7 1HB PRO 7 0.933 8.020 6.721 54 HG2 PRO 7 2HG PRO 7 0.292 7.276 9.452 55 HG3 PRO 7 1HG PRO 7 -0.725 8.027 8.215 56 HD2 PRO 7 2HD PRO 7 -0.660 5.262 9.070 57 HD3 PRO 7 1HD PRO 7 -1.764 6.080 7.940 58 H VAL 8 H VAL 8 3.322 5.005 5.810 59 HA VAL 8 HA VAL 8 4.138 3.538 8.211 60 HB VAL 8 HB VAL 8 3.762 2.158 6.158 61 HG11 VAL 8 1HG1 VAL 8 4.303 3.726 4.440 62 HG12 VAL 8 2HG1 VAL 8 5.307 2.286 4.265 63 HG13 VAL 8 3HG1 VAL 8 5.988 3.763 4.951 64 HG21 VAL 8 3HG2 VAL 8 5.904 0.928 6.168 65 HG22 VAL 8 1HG2 VAL 8 5.348 1.337 7.791 66 HG23 VAL 8 2HG2 VAL 8 6.645 2.268 7.042 67 H LYS 9 H LYS 9 6.361 3.777 8.908 68 HA LYS 9 HA LYS 9 7.404 6.355 8.234 69 HB2 LYS 9 2HB LYS 9 7.350 5.306 10.566 70 HB3 LYS 9 1HB LYS 9 8.641 4.254 10.000 71 HG2 LYS 9 2HG LYS 9 10.038 6.153 9.556 72 HG3 LYS 9 1HG LYS 9 8.750 7.250 10.060 73 HD2 LYS 9 2HD LYS 9 8.798 6.157 12.297 74 HD3 LYS 9 1HD LYS 9 10.222 5.247 11.770 75 HE2 LYS 9 2HE LYS 9 10.962 7.155 12.981 76 HE3 LYS 9 1HE LYS 9 11.322 7.406 11.270 77 HZ1 LYS 9 3HZ LYS 9 9.043 8.703 11.292 78 HZ2 LYS 9 1HZ LYS 9 10.389 9.436 12.038 79 HZ3 LYS 9 2HZ LYS 9 9.243 8.631 12.930 80 H VAL 10 H VAL 10 8.547 6.555 6.482 81 HA VAL 10 HA VAL 10 10.158 4.297 5.569 82 HB VAL 10 HB VAL 10 8.016 4.373 4.357 83 HG11 VAL 10 1HG1 VAL 10 8.829 7.127 3.513 84 HG12 VAL 10 2HG1 VAL 10 7.467 6.691 4.543 85 HG13 VAL 10 3HG1 VAL 10 7.482 6.213 2.843 86 HG21 VAL 10 3HG2 VAL 10 10.329 5.205 2.612 87 HG22 VAL 10 1HG2 VAL 10 8.856 4.398 2.065 88 HG23 VAL 10 2HG2 VAL 10 9.974 3.567 3.152 89 H LYS 11 H LYS 11 11.904 4.861 4.295 90 HA LYS 11 HA LYS 11 13.087 7.424 4.888 91 HB2 LYS 11 2HB LYS 11 14.134 4.971 3.466 92 HB3 LYS 11 1HB LYS 11 15.084 6.408 3.810 93 HG2 LYS 11 2HG LYS 11 14.926 6.059 6.159 94 HG3 LYS 11 1HG LYS 11 13.746 4.766 5.943 95 HD2 LYS 11 2HD LYS 11 15.425 3.396 4.837 96 HD3 LYS 11 1HD LYS 11 16.606 4.699 4.988 97 HE2 LYS 11 2HE LYS 11 16.882 2.942 6.705 98 HE3 LYS 11 1HE LYS 11 16.564 4.533 7.383 99 HZ1 LYS 11 3HZ LYS 11 14.374 3.936 7.914 100 HZ2 LYS 11 1HZ LYS 11 15.334 2.675 8.428 101 HZ3 LYS 11 2HZ LYS 11 14.404 2.503 7.016 102 H THR 12 H THR 12 13.419 9.042 3.389 103 HA THR 12 HA THR 12 11.917 8.736 0.936 104 HB THR 12 HB THR 12 12.274 11.200 0.764 105 HG1 THR 12 1HG THR 12 13.188 12.168 2.705 106 HG21 THR 12 3HG2 THR 12 11.336 10.294 3.489 107 HG22 THR 12 1HG2 THR 12 10.358 10.320 2.022 108 HG23 THR 12 2HG2 THR 12 10.938 11.833 2.719 109 HA PRO 13 HA PRO 13 15.451 8.370 -1.758 110 HB2 PRO 13 2HB PRO 13 14.824 10.962 -3.081 111 HB3 PRO 13 1HB PRO 13 15.012 9.349 -3.783 112 HG2 PRO 13 2HG PRO 13 12.598 10.396 -3.545 113 HG3 PRO 13 1HG PRO 13 12.880 8.684 -3.183 114 HD2 PRO 13 2HD PRO 13 12.532 10.985 -1.323 115 HD3 PRO 13 1HD PRO 13 11.883 9.335 -1.237 116 H ALA 14 H ALA 14 15.078 11.211 0.103 117 HA ALA 14 HA ALA 14 17.763 12.184 -0.371 118 HB1 ALA 14 1HB ALA 14 15.933 13.778 0.029 119 HB2 ALA 14 2HB ALA 14 17.200 13.921 1.247 120 HB3 ALA 14 3HB ALA 14 15.697 13.084 1.631 121 H GLY 15 H GLY 15 16.432 9.721 1.456 122 HA2 GLY 15 2HA GLY 15 17.611 8.268 2.853 123 HA3 GLY 15 1HA GLY 15 18.867 9.493 3.022 124 H LYS 16 H LYS 16 15.715 10.619 3.447 125 HA LYS 16 HA LYS 16 16.171 11.018 6.302 126 HB2 LYS 16 2HB LYS 16 14.137 12.192 4.419 127 HB3 LYS 16 1HB LYS 16 14.551 12.760 6.036 128 HG2 LYS 16 2HG LYS 16 16.764 13.215 5.355 129 HG3 LYS 16 1HG LYS 16 16.464 12.629 3.751 130 HD2 LYS 16 2HD LYS 16 16.414 15.070 3.721 131 HD3 LYS 16 1HD LYS 16 14.846 14.399 3.314 132 HE2 LYS 16 2HE LYS 16 14.067 14.862 5.593 133 HE3 LYS 16 1HE LYS 16 15.656 15.529 5.991 134 HZ1 LYS 16 3HZ LYS 16 13.923 17.215 5.332 135 HZ2 LYS 16 1HZ LYS 16 13.969 16.542 3.787 136 HZ3 LYS 16 2HZ LYS 16 15.340 17.283 4.433 137 H GLU 17 H GLU 17 14.105 10.762 7.636 138 HA GLU 17 HA GLU 17 12.506 8.615 6.485 139 HB2 GLU 17 2HB GLU 17 14.319 7.775 7.969 140 HB3 GLU 17 1HB GLU 17 13.588 8.678 9.287 141 HG2 GLU 17 2HG GLU 17 11.607 7.377 9.149 142 HG3 GLU 17 1HG GLU 17 12.229 6.584 7.693 143 H ALA 18 H ALA 18 10.403 8.951 6.640 144 HA ALA 18 HA ALA 18 9.254 10.432 8.840 145 HB1 ALA 18 1HB ALA 18 8.957 11.386 5.983 146 HB2 ALA 18 2HB ALA 18 9.842 12.226 7.255 147 HB3 ALA 18 3HB ALA 18 8.093 12.028 7.383 148 H GLU 19 H GLU 19 6.844 10.319 8.678 149 HA GLU 19 HA GLU 19 6.121 7.728 7.618 150 HB2 GLU 19 2HB GLU 19 4.435 9.695 9.191 151 HB3 GLU 19 1HB GLU 19 3.935 8.084 8.709 152 HG2 GLU 19 2HG GLU 19 4.511 7.888 10.959 153 HG3 GLU 19 1HG GLU 19 5.904 7.244 10.097 154 H LEU 20 H LEU 20 5.290 7.413 5.749 155 HA LEU 20 HA LEU 20 3.804 9.597 4.467 156 HB2 LEU 20 2HB LEU 20 5.724 7.671 3.154 157 HB3 LEU 20 1HB LEU 20 4.688 8.780 2.291 158 HG LEU 20 HG LEU 20 6.955 9.594 4.126 159 HD11 LEU 20 1HD1 LEU 20 7.727 8.506 2.064 160 HD12 LEU 20 2HD1 LEU 20 8.100 10.227 2.073 161 HD13 LEU 20 3HD1 LEU 20 6.750 9.625 1.113 162 HD21 LEU 20 3HD2 LEU 20 5.233 11.204 2.260 163 HD22 LEU 20 1HD2 LEU 20 6.597 11.816 3.194 164 HD23 LEU 20 2HD2 LEU 20 5.150 11.242 4.027 165 H VAL 21 H VAL 21 1.911 8.982 3.628 166 HA VAL 21 HA VAL 21 1.190 6.192 3.806 167 HB VAL 21 HB VAL 21 -0.472 7.859 4.587 168 HG11 VAL 21 1HG1 VAL 21 -1.655 9.326 3.042 169 HG12 VAL 21 2HG1 VAL 21 -0.534 8.866 1.758 170 HG13 VAL 21 3HG1 VAL 21 0.057 9.729 3.177 171 HG21 VAL 21 3HG2 VAL 21 -1.385 6.395 2.113 172 HG22 VAL 21 1HG2 VAL 21 -2.454 7.076 3.340 173 HG23 VAL 21 2HG2 VAL 21 -1.352 5.765 3.759 174 HA PRO 22 HA PRO 22 2.547 5.563 -0.330 175 HB2 PRO 22 2HB PRO 22 1.328 3.141 -0.759 176 HB3 PRO 22 1HB PRO 22 2.841 3.340 0.132 177 HG2 PRO 22 2HG PRO 22 0.065 3.004 1.170 178 HG3 PRO 22 1HG PRO 22 1.583 2.321 1.778 179 HD2 PRO 22 2HD PRO 22 0.376 4.438 2.930 180 HD3 PRO 22 1HD PRO 22 2.139 4.244 2.909 181 H GLU 23 H GLU 23 1.856 5.979 -2.292 182 HA GLU 23 HA GLU 23 -0.766 6.969 -2.793 183 HB2 GLU 23 2HB GLU 23 1.568 6.338 -4.599 184 HB3 GLU 23 1HB GLU 23 0.121 7.210 -5.091 185 HG2 GLU 23 2HG GLU 23 1.974 8.109 -2.917 186 HG3 GLU 23 1HG GLU 23 2.114 8.647 -4.584 187 H LYS 24 H LYS 24 1.141 4.181 -3.733 188 HA LYS 24 HA LYS 24 -1.283 2.691 -4.395 189 HB2 LYS 24 2HB LYS 24 -0.241 3.644 -6.500 190 HB3 LYS 24 1HB LYS 24 1.206 2.722 -6.128 191 HG2 LYS 24 2HG LYS 24 -0.188 0.672 -6.133 192 HG3 LYS 24 1HG LYS 24 -1.529 1.658 -6.726 193 HD2 LYS 24 2HD LYS 24 -0.088 2.261 -8.684 194 HD3 LYS 24 1HD LYS 24 1.095 1.089 -8.090 195 HE2 LYS 24 2HE LYS 24 -1.751 0.521 -8.908 196 HE3 LYS 24 1HE LYS 24 -0.299 0.047 -9.774 197 HZ1 LYS 24 3HZ LYS 24 -1.079 -0.925 -7.065 198 HZ2 LYS 24 1HZ LYS 24 0.296 -1.412 -7.932 199 HZ3 LYS 24 2HZ LYS 24 -1.239 -1.780 -8.489 200 H VAL 25 H VAL 25 -0.968 0.410 -4.009 201 HA VAL 25 HA VAL 25 1.629 -0.347 -2.910 202 HB VAL 25 HB VAL 25 0.476 -1.744 -1.178 203 HG11 VAL 25 1HG1 VAL 25 1.408 0.406 -0.543 204 HG12 VAL 25 2HG1 VAL 25 -0.063 0.066 0.370 205 HG13 VAL 25 3HG1 VAL 25 -0.105 1.200 -0.982 206 HG21 VAL 25 3HG2 VAL 25 -1.864 -1.256 -0.587 207 HG22 VAL 25 1HG2 VAL 25 -1.726 -1.927 -2.212 208 HG23 VAL 25 2HG2 VAL 25 -1.991 -0.200 -1.996 209 H TRP 26 H TRP 26 2.261 -2.437 -3.381 210 HA TRP 26 HA TRP 26 0.320 -4.214 -4.487 211 HB2 TRP 26 2HB TRP 26 1.645 -4.698 -6.542 212 HB3 TRP 26 1HB TRP 26 0.973 -3.079 -6.512 213 HD1 TRP 26 HD TRP 26 4.230 -4.937 -6.818 214 HE1 TRP 26 1HE TRP 26 6.129 -3.271 -7.236 215 HE3 TRP 26 3HE TRP 26 1.736 -0.641 -5.807 216 HZ2 TRP 26 2HZ TRP 26 6.514 -0.436 -7.142 217 HZ3 TRP 26 3HZ TRP 26 2.915 1.507 -5.990 218 HH2 TRP 26 HH TRP 26 5.243 1.608 -6.634 219 H ALA 27 H ALA 27 1.095 -6.358 -4.716 220 HA ALA 27 HA ALA 27 3.497 -6.902 -3.137 221 HB1 ALA 27 1HB ALA 27 2.336 -8.733 -2.012 222 HB2 ALA 27 2HB ALA 27 0.849 -8.330 -2.865 223 HB3 ALA 27 3HB ALA 27 1.524 -7.198 -1.693 224 H LEU 28 H LEU 28 4.805 -8.130 -4.165 225 HA LEU 28 HA LEU 28 3.976 -9.490 -6.572 226 HB2 LEU 28 2HB LEU 28 6.676 -9.331 -5.202 227 HB3 LEU 28 1HB LEU 28 6.394 -10.227 -6.673 228 HG LEU 28 HG LEU 28 5.814 -8.047 -7.800 229 HD11 LEU 28 1HD1 LEU 28 6.511 -5.961 -6.775 230 HD12 LEU 28 2HD1 LEU 28 6.905 -6.815 -5.283 231 HD13 LEU 28 3HD1 LEU 28 5.230 -6.733 -5.834 232 HD21 LEU 28 3HD2 LEU 28 7.998 -9.068 -8.051 233 HD22 LEU 28 1HD2 LEU 28 8.553 -8.267 -6.581 234 HD23 LEU 28 2HD2 LEU 28 8.133 -7.309 -8.004 235 H ALA 29 H ALA 29 2.636 -11.070 -5.930 236 HA ALA 29 HA ALA 29 3.890 -13.286 -4.518 237 HB1 ALA 29 1HB ALA 29 1.910 -13.692 -3.182 238 HB2 ALA 29 2HB ALA 29 1.097 -12.322 -3.925 239 HB3 ALA 29 3HB ALA 29 2.489 -12.050 -2.882 240 HA PRO 30 HA PRO 30 2.141 -14.930 -8.501 241 HB2 PRO 30 2HB PRO 30 4.144 -16.952 -7.576 242 HB3 PRO 30 1HB PRO 30 3.858 -16.348 -9.207 243 HG2 PRO 30 2HG PRO 30 5.964 -15.518 -7.838 244 HG3 PRO 30 1HG PRO 30 5.034 -14.388 -8.834 245 HD2 PRO 30 2HD PRO 30 5.082 -14.669 -5.859 246 HD3 PRO 30 1HD PRO 30 4.882 -13.230 -6.862 247 H LYS 31 H LYS 31 3.052 -16.513 -5.522 248 HA LYS 31 HA LYS 31 0.484 -17.359 -4.776 249 HB2 LYS 31 2HB LYS 31 0.928 -19.154 -6.493 250 HB3 LYS 31 1HB LYS 31 2.367 -19.600 -5.588 251 HG2 LYS 31 2HG LYS 31 0.862 -20.028 -3.609 252 HG3 LYS 31 1HG LYS 31 -0.501 -19.849 -4.710 253 HD2 LYS 31 2HD LYS 31 -0.025 -22.192 -4.472 254 HD3 LYS 31 1HD LYS 31 0.465 -21.702 -6.090 255 HE2 LYS 31 2HE LYS 31 2.799 -21.555 -5.349 256 HE3 LYS 31 1HE LYS 31 2.313 -21.999 -3.717 257 HZ1 LYS 31 3HZ LYS 31 3.224 -23.844 -4.973 258 HZ2 LYS 31 1HZ LYS 31 2.014 -23.710 -6.121 259 HZ3 LYS 31 2HZ LYS 31 1.637 -24.150 -4.533 260 H GLY 32 H GLY 32 3.797 -18.677 -4.527 261 HA2 GLY 32 2HA GLY 32 3.821 -17.862 -1.709 262 HA3 GLY 32 1HA GLY 32 4.352 -19.462 -2.229 263 H ARG 33 H ARG 33 5.114 -16.141 -2.044 264 HA ARG 33 HA ARG 33 7.909 -16.574 -2.782 265 HB2 ARG 33 2HB ARG 33 6.231 -16.030 -4.797 266 HB3 ARG 33 1HB ARG 33 6.375 -14.398 -4.183 267 HG2 ARG 33 2HG ARG 33 8.703 -16.078 -5.136 268 HG3 ARG 33 1HG ARG 33 7.822 -14.952 -6.152 269 HD2 ARG 33 2HD ARG 33 8.490 -13.146 -4.538 270 HD3 ARG 33 1HD ARG 33 9.531 -14.333 -3.750 271 HE ARG 33 HE ARG 33 10.011 -14.245 -6.542 272 HH11 ARG 33 1HH1 ARG 33 10.819 -12.593 -3.526 273 HH12 ARG 33 2HH1 ARG 33 12.173 -11.788 -4.163 274 HH21 ARG 33 1HH2 ARG 33 11.879 -13.109 -7.432 275 HH22 ARG 33 2HH2 ARG 33 12.759 -12.058 -6.440 276 H LYS 34 H LYS 34 6.494 -16.072 -0.436 277 HA LYS 34 HA LYS 34 6.360 -14.844 1.440 278 HB2 LYS 34 2HB LYS 34 8.150 -12.845 0.032 279 HB3 LYS 34 1HB LYS 34 7.643 -12.708 1.701 280 HG2 LYS 34 2HG LYS 34 8.818 -14.846 2.167 281 HG3 LYS 34 1HG LYS 34 9.421 -14.817 0.503 282 HD2 LYS 34 2HD LYS 34 10.442 -12.608 0.935 283 HD3 LYS 34 1HD LYS 34 9.872 -12.695 2.597 284 HE2 LYS 34 2HE LYS 34 11.810 -14.594 1.289 285 HE3 LYS 34 1HE LYS 34 12.229 -13.308 2.415 286 HZ1 LYS 34 3HZ LYS 34 10.584 -15.707 3.015 287 HZ2 LYS 34 1HZ LYS 34 10.871 -14.434 4.101 288 HZ3 LYS 34 2HZ LYS 34 12.144 -15.375 3.553 289 H GLY 35 H GLY 35 6.199 -12.739 -1.314 290 HA2 GLY 35 2HA GLY 35 4.216 -11.578 -1.958 291 HA3 GLY 35 1HA GLY 35 3.698 -11.598 -0.258 292 H VAL 36 H VAL 36 6.157 -10.457 -2.438 293 HA VAL 36 HA VAL 36 7.381 -8.712 -0.511 294 HB VAL 36 HB VAL 36 7.725 -8.682 -3.522 295 HG11 VAL 36 1HG1 VAL 36 9.940 -7.744 -3.041 296 HG12 VAL 36 2HG1 VAL 36 9.548 -7.723 -1.321 297 HG13 VAL 36 3HG1 VAL 36 8.633 -6.719 -2.446 298 HG21 VAL 36 3HG2 VAL 36 9.235 -10.323 -1.486 299 HG22 VAL 36 1HG2 VAL 36 9.668 -10.165 -3.190 300 HG23 VAL 36 2HG2 VAL 36 8.151 -10.939 -2.731 301 H LYS 37 H LYS 37 6.542 -6.895 0.055 302 HA LYS 37 HA LYS 37 4.415 -5.709 -1.546 303 HB2 LYS 37 2HB LYS 37 5.247 -5.282 1.304 304 HB3 LYS 37 1HB LYS 37 3.840 -4.555 0.533 305 HG2 LYS 37 2HG LYS 37 2.907 -6.772 0.148 306 HG3 LYS 37 1HG LYS 37 4.342 -7.496 0.861 307 HD2 LYS 37 2HD LYS 37 3.828 -6.471 2.987 308 HD3 LYS 37 1HD LYS 37 2.413 -5.685 2.286 309 HE2 LYS 37 2HE LYS 37 1.698 -7.651 3.446 310 HE3 LYS 37 1HE LYS 37 1.505 -7.909 1.718 311 HZ1 LYS 37 3HZ LYS 37 3.669 -9.151 1.772 312 HZ2 LYS 37 1HZ LYS 37 2.429 -9.848 2.688 313 HZ3 LYS 37 2HZ LYS 37 3.641 -8.997 3.466 314 H ILE 38 H ILE 38 4.644 -3.827 -2.514 315 HA ILE 38 HA ILE 38 6.790 -2.053 -1.673 316 HB ILE 38 HB ILE 38 6.209 -2.699 -4.612 317 HG12 ILE 38 2HG1 ILE 38 8.648 -3.342 -2.956 318 HG13 ILE 38 1HG1 ILE 38 7.421 -4.529 -3.332 319 HG21 ILE 38 1HG2 ILE 38 8.169 -1.320 -5.098 320 HG22 ILE 38 2HG2 ILE 38 8.332 -0.942 -3.384 321 HG23 ILE 38 3HG2 ILE 38 6.915 -0.389 -4.276 322 HD11 ILE 38 3HD1 ILE 38 9.343 -4.788 -4.782 323 HD12 ILE 38 1HD1 ILE 38 9.212 -3.107 -5.295 324 HD13 ILE 38 2HD1 ILE 38 7.951 -4.258 -5.729 325 H GLY 39 H GLY 39 6.322 0.092 -1.852 326 HA2 GLY 39 2HA GLY 39 3.631 0.680 -2.797 327 HA3 GLY 39 1HA GLY 39 4.216 1.310 -1.263 328 H LEU 40 H LEU 40 3.376 2.588 -3.694 329 HA LEU 40 HA LEU 40 5.818 3.952 -4.516 330 HB2 LEU 40 2HB LEU 40 4.271 3.232 -6.272 331 HB3 LEU 40 1HB LEU 40 2.975 4.137 -5.554 332 HG LEU 40 HG LEU 40 4.251 6.221 -6.035 333 HD11 LEU 40 1HD1 LEU 40 6.485 5.295 -6.087 334 HD12 LEU 40 2HD1 LEU 40 6.117 6.060 -7.638 335 HD13 LEU 40 3HD1 LEU 40 6.053 4.301 -7.476 336 HD21 LEU 40 3HD2 LEU 40 3.746 4.442 -8.389 337 HD22 LEU 40 1HD2 LEU 40 3.867 6.197 -8.432 338 HD23 LEU 40 2HD2 LEU 40 2.525 5.428 -7.568 339 H PHE 41 H PHE 41 6.284 5.878 -3.698 340 HA PHE 41 HA PHE 41 4.273 7.168 -2.000 341 HB2 PHE 41 2HB PHE 41 7.252 6.985 -1.666 342 HB3 PHE 41 1HB PHE 41 6.213 8.001 -0.709 343 HD1 PHE 41 2HD PHE 41 4.614 6.959 0.867 344 HD2 PHE 41 1HD PHE 41 7.435 4.641 -1.305 345 HE1 PHE 41 2HE PHE 41 4.255 5.087 2.408 346 HE2 PHE 41 1HE PHE 41 7.082 2.757 0.237 347 HZ PHE 41 HZ PHE 41 5.490 2.980 2.093 348 H LYS 42 H LYS 42 4.797 9.462 -1.661 349 HA LYS 42 HA LYS 42 6.044 10.662 -3.995 350 HB2 LYS 42 2HB LYS 42 3.616 10.921 -4.074 351 HB3 LYS 42 1HB LYS 42 3.615 11.567 -2.444 352 HG2 LYS 42 2HG LYS 42 4.679 13.570 -3.160 353 HG3 LYS 42 1HG LYS 42 5.004 12.897 -4.759 354 HD2 LYS 42 2HD LYS 42 2.644 12.792 -5.251 355 HD3 LYS 42 1HD LYS 42 2.246 13.325 -3.620 356 HE2 LYS 42 2HE LYS 42 3.874 14.978 -5.536 357 HE3 LYS 42 1HE LYS 42 2.119 15.072 -5.455 358 HZ1 LYS 42 3HZ LYS 42 3.159 16.778 -4.124 359 HZ2 LYS 42 1HZ LYS 42 3.972 15.634 -3.187 360 HZ3 LYS 42 2HZ LYS 42 2.292 15.721 -3.141 361 H ASP 43 H ASP 43 7.770 11.626 -3.466 362 HA ASP 43 HA ASP 43 8.944 11.901 -0.970 363 HB2 ASP 43 2HB ASP 43 10.120 11.923 -3.138 364 HB3 ASP 43 1HB ASP 43 9.403 13.465 -3.517 365 HA PRO 44 HA PRO 44 6.430 15.198 0.618 366 HB2 PRO 44 2HB PRO 44 7.880 15.739 2.860 367 HB3 PRO 44 1HB PRO 44 6.792 14.358 2.707 368 HG2 PRO 44 2HG PRO 44 9.760 14.470 2.379 369 HG3 PRO 44 1HG PRO 44 8.775 13.255 3.214 370 HD2 PRO 44 2HD PRO 44 9.760 12.845 0.746 371 HD3 PRO 44 1HD PRO 44 8.175 12.207 1.241 372 H GLU 45 H GLU 45 9.851 15.653 -0.039 373 HA GLU 45 HA GLU 45 9.344 18.479 0.242 374 HB2 GLU 45 2HB GLU 45 11.813 18.790 0.228 375 HB3 GLU 45 1HB GLU 45 11.132 17.950 1.606 376 HG2 GLU 45 2HG GLU 45 11.844 15.810 0.500 377 HG3 GLU 45 1HG GLU 45 12.722 16.811 -0.664 378 H THR 46 H THR 46 10.671 16.289 -2.124 379 HA THR 46 HA THR 46 10.770 18.570 -3.944 380 HB THR 46 HB THR 46 11.926 16.964 -5.524 381 HG1 THR 46 1HG THR 46 11.742 15.342 -3.182 382 HG21 THR 46 3HG2 THR 46 13.150 17.420 -2.803 383 HG22 THR 46 1HG2 THR 46 13.162 18.561 -4.147 384 HG23 THR 46 2HG2 THR 46 14.042 17.038 -4.273 385 H GLY 47 H GLY 47 8.684 16.034 -3.194 386 HA2 GLY 47 2HA GLY 47 6.581 15.658 -3.991 387 HA3 GLY 47 1HA GLY 47 6.871 16.898 -5.198 388 H LYS 48 H LYS 48 9.158 14.347 -5.058 389 HA LYS 48 HA LYS 48 8.170 13.456 -7.624 390 HB2 LYS 48 2HB LYS 48 10.351 12.333 -7.905 391 HB3 LYS 48 1HB LYS 48 10.515 14.042 -7.567 392 HG2 LYS 48 2HG LYS 48 11.095 13.511 -5.234 393 HG3 LYS 48 1HG LYS 48 10.981 11.786 -5.617 394 HD2 LYS 48 2HD LYS 48 12.730 12.094 -7.333 395 HD3 LYS 48 1HD LYS 48 12.853 13.786 -6.878 396 HE2 LYS 48 2HE LYS 48 13.467 11.413 -5.108 397 HE3 LYS 48 1HE LYS 48 14.641 12.460 -5.881 398 HZ1 LYS 48 3HZ LYS 48 12.855 13.135 -3.585 399 HZ2 LYS 48 1HZ LYS 48 13.570 14.323 -4.561 400 HZ3 LYS 48 2HZ LYS 48 14.506 13.231 -3.723 401 H TYR 49 H TYR 49 7.825 11.272 -8.141 402 HA TYR 49 HA TYR 49 6.773 9.747 -5.904 403 HB2 TYR 49 2HB TYR 49 6.438 9.662 -8.864 404 HB3 TYR 49 1HB TYR 49 6.104 8.204 -7.943 405 HD1 TYR 49 1HD TYR 49 5.174 11.843 -8.133 406 HD2 TYR 49 2HD TYR 49 4.048 7.905 -7.023 407 HE1 TYR 49 1HE TYR 49 2.877 12.628 -7.656 408 HE2 TYR 49 2HE TYR 49 1.778 8.664 -6.552 409 HH TYR 49 HH TYR 49 0.639 10.729 -5.918 410 H PHE 50 H PHE 50 7.732 8.017 -5.027 411 HA PHE 50 HA PHE 50 9.759 6.641 -6.624 412 HB2 PHE 50 2HB PHE 50 11.356 6.585 -4.791 413 HB3 PHE 50 1HB PHE 50 10.945 8.253 -5.128 414 HD1 PHE 50 1HD PHE 50 9.263 9.400 -3.548 415 HD2 PHE 50 2HD PHE 50 11.152 5.685 -2.654 416 HE1 PHE 50 1HE PHE 50 8.778 9.723 -1.158 417 HE2 PHE 50 2HE PHE 50 10.663 6.004 -0.269 418 HZ PHE 50 HZ PHE 50 9.477 8.019 0.484 419 H ARG 51 H ARG 51 9.802 4.451 -6.308 420 HA ARG 51 HA ARG 51 7.788 3.398 -4.520 421 HB2 ARG 51 2HB ARG 51 8.327 1.244 -5.801 422 HB3 ARG 51 1HB ARG 51 7.383 2.481 -6.626 423 HG2 ARG 51 2HG ARG 51 9.377 3.165 -7.851 424 HG3 ARG 51 1HG ARG 51 10.332 1.986 -6.943 425 HD2 ARG 51 2HD ARG 51 7.946 1.178 -8.551 426 HD3 ARG 51 1HD ARG 51 9.553 1.295 -9.284 427 HE ARG 51 HE ARG 51 10.038 -0.231 -7.189 428 HH11 ARG 51 1HH1 ARG 51 7.356 -0.499 -9.503 429 HH12 ARG 51 2HH1 ARG 51 7.325 -2.204 -9.435 430 HH21 ARG 51 1HH2 ARG 51 9.983 -2.492 -7.144 431 HH22 ARG 51 2HH2 ARG 51 8.829 -3.370 -8.052 432 H HIS 52 H HIS 52 8.228 2.150 -2.874 433 HA HIS 52 HA HIS 52 11.022 1.418 -2.293 434 HB2 HIS 52 2HB HIS 52 10.376 3.674 -1.283 435 HB3 HIS 52 1HB HIS 52 9.133 2.834 -0.385 436 HD1 HIS 52 1HD HIS 52 10.071 1.055 1.476 437 HD2 HIS 52 2HD HIS 52 12.813 3.731 -0.136 438 HE1 HIS 52 1HE HIS 52 11.994 1.049 3.033 439 HE2 HIS 52 2HE HIS 52 13.750 2.432 1.866 440 H LYS 53 H LYS 53 11.036 -0.633 -1.138 441 HA LYS 53 HA LYS 53 8.532 -1.917 -1.194 442 HB2 LYS 53 2HB LYS 53 9.513 -3.907 -0.373 443 HB3 LYS 53 1HB LYS 53 10.700 -3.198 -1.448 444 HG2 LYS 53 2HG LYS 53 12.089 -2.550 0.340 445 HG3 LYS 53 1HG LYS 53 10.798 -2.790 1.518 446 HD2 LYS 53 2HD LYS 53 12.140 -4.986 -0.076 447 HD3 LYS 53 1HD LYS 53 12.490 -4.595 1.609 448 HE2 LYS 53 2HE LYS 53 10.077 -5.078 2.147 449 HE3 LYS 53 1HE LYS 53 9.860 -5.612 0.489 450 HZ1 LYS 53 3HZ LYS 53 11.520 -7.346 0.894 451 HZ2 LYS 53 1HZ LYS 53 10.203 -7.464 1.944 452 HZ3 LYS 53 2HZ LYS 53 11.654 -6.842 2.497 453 H LEU 54 H LEU 54 7.357 -2.741 0.527 454 HA LEU 54 HA LEU 54 7.375 -0.967 2.851 455 HB2 LEU 54 2HB LEU 54 5.341 -3.098 2.251 456 HB3 LEU 54 1HB LEU 54 5.176 -1.693 3.220 457 HG LEU 54 HG LEU 54 5.371 -1.553 0.221 458 HD11 LEU 54 1HD1 LEU 54 3.288 -2.597 0.934 459 HD12 LEU 54 2HD1 LEU 54 3.009 -0.979 0.294 460 HD13 LEU 54 3HD1 LEU 54 2.987 -1.257 2.037 461 HD21 LEU 54 3HD2 LEU 54 4.813 0.517 2.329 462 HD22 LEU 54 1HD2 LEU 54 4.674 0.762 0.583 463 HD23 LEU 54 2HD2 LEU 54 6.245 0.392 1.291 464 HA PRO 55 HA PRO 55 8.687 -4.452 5.396 465 HB2 PRO 55 2HB PRO 55 6.240 -4.319 7.063 466 HB3 PRO 55 1HB PRO 55 7.923 -4.088 7.550 467 HG2 PRO 55 2HG PRO 55 6.248 -2.006 7.432 468 HG3 PRO 55 1HG PRO 55 7.943 -1.850 6.917 469 HD2 PRO 55 2HD PRO 55 5.495 -2.269 5.239 470 HD3 PRO 55 1HD PRO 55 6.778 -1.114 4.933 471 H ASP 56 H ASP 56 8.384 -6.654 5.229 472 HA ASP 56 HA ASP 56 6.403 -7.570 3.430 473 HB2 ASP 56 2HB ASP 56 8.097 -9.268 5.283 474 HB3 ASP 56 1HB ASP 56 7.236 -9.836 3.860 475 H ASP 57 H ASP 57 6.504 -7.190 6.737 476 HA ASP 57 HA ASP 57 4.299 -8.932 7.465 477 HB2 ASP 57 2HB ASP 57 6.159 -8.847 8.953 478 HB3 ASP 57 1HB ASP 57 6.164 -7.099 8.963 479 H TYR 58 H TYR 58 4.514 -5.911 6.126 480 HA TYR 58 HA TYR 58 2.594 -4.441 7.645 481 HB2 TYR 58 2HB TYR 58 4.351 -3.401 6.351 482 HB3 TYR 58 1HB TYR 58 3.741 -4.109 4.868 483 HD1 TYR 58 2HD TYR 58 3.184 -1.518 7.444 484 HD2 TYR 58 1HD TYR 58 1.988 -3.036 3.661 485 HE1 TYR 58 2HE TYR 58 1.951 0.572 6.993 486 HE2 TYR 58 1HE TYR 58 0.769 -0.951 3.206 487 HH TYR 58 HH TYR 58 1.101 1.863 5.057 488 HA PRO 59 HA PRO 59 -0.854 -6.449 5.646 489 HB2 PRO 59 2HB PRO 59 -2.865 -5.204 6.905 490 HB3 PRO 59 1HB PRO 59 -1.799 -6.355 7.719 491 HG2 PRO 59 2HG PRO 59 -1.902 -3.411 7.930 492 HG3 PRO 59 1HG PRO 59 -1.347 -4.606 9.112 493 HD2 PRO 59 2HD PRO 59 0.268 -3.023 7.361 494 HD3 PRO 59 1HD PRO 59 0.783 -4.322 8.460 495 H ILE 60 H ILE 60 -1.244 -6.081 3.616 496 HA ILE 60 HA ILE 60 -2.905 -3.816 2.909 497 HB ILE 60 HB ILE 60 -1.903 -3.808 0.561 498 HG12 ILE 60 2HG1 ILE 60 0.418 -5.210 1.907 499 HG13 ILE 60 1HG1 ILE 60 -0.667 -5.953 0.742 500 HG21 ILE 60 1HG2 ILE 60 -1.507 -1.989 2.046 501 HG22 ILE 60 2HG2 ILE 60 -0.030 -2.344 1.145 502 HG23 ILE 60 3HG2 ILE 60 -0.191 -2.867 2.821 503 HD11 ILE 60 3HD1 ILE 60 1.430 -5.297 -0.306 504 HD12 ILE 60 1HD1 ILE 60 1.178 -3.629 0.205 505 HD13 ILE 60 2HD1 ILE 60 0.086 -4.368 -0.965 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -10.382 3.765 11.652 2 H2 MET 1 2HT MET 1 -9.140 4.714 11.072 3 H3 MET 1 3HT MET 1 -9.285 4.461 12.746 4 HA MET 1 HA MET 1 -7.512 3.144 11.767 5 HB2 MET 1 2HB MET 1 -8.900 2.391 13.764 6 HB3 MET 1 1HB MET 1 -9.873 1.445 12.657 7 HG2 MET 1 2HG MET 1 -6.908 1.044 13.037 8 HG3 MET 1 1HG MET 1 -8.123 0.207 13.986 9 HE1 MET 1 2HE MET 1 -9.826 -1.558 12.967 10 HE2 MET 1 3HE MET 1 -9.872 -2.012 11.264 11 HE3 MET 1 1HE MET 1 -10.377 -0.395 11.762 12 H SER 2 H SER 2 -6.872 2.693 9.834 13 HA SER 2 HA SER 2 -6.724 2.130 7.740 14 HB2 SER 2 2HB SER 2 -8.874 0.105 8.420 15 HB3 SER 2 1HB SER 2 -7.949 0.099 6.918 16 HG SER 2 HG SER 2 -6.365 -0.795 7.932 17 H SER 3 H SER 3 -7.208 3.979 6.840 18 HA SER 3 HA SER 3 -9.982 4.724 6.313 19 HB2 SER 3 2HB SER 3 -8.403 6.320 7.379 20 HB3 SER 3 1HB SER 3 -7.400 6.266 5.935 21 HG SER 3 HG SER 3 -10.045 6.867 5.474 22 H GLY 4 H GLY 4 -7.650 2.979 4.755 23 HA2 GLY 4 2HA GLY 4 -8.339 2.169 2.506 24 HA3 GLY 4 1HA GLY 4 -8.456 3.873 2.060 25 H LYS 5 H LYS 5 -6.474 5.121 2.761 26 HA LYS 5 HA LYS 5 -4.036 3.662 2.066 27 HB2 LYS 5 2HB LYS 5 -4.621 6.627 2.201 28 HB3 LYS 5 1HB LYS 5 -3.039 5.946 1.916 29 HG2 LYS 5 2HG LYS 5 -3.894 4.976 -0.201 30 HG3 LYS 5 1HG LYS 5 -5.430 5.809 0.094 31 HD2 LYS 5 2HD LYS 5 -4.251 7.948 0.217 32 HD3 LYS 5 1HD LYS 5 -2.729 7.123 -0.084 33 HE2 LYS 5 2HE LYS 5 -3.503 6.458 -2.296 34 HE3 LYS 5 1HE LYS 5 -5.065 7.216 -1.990 35 HZ1 LYS 5 3HZ LYS 5 -2.436 8.659 -2.198 36 HZ2 LYS 5 1HZ LYS 5 -3.911 9.368 -1.790 37 HZ3 LYS 5 2HZ LYS 5 -3.718 8.690 -3.288 38 H LYS 6 H LYS 6 -2.216 3.968 3.495 39 HA LYS 6 HA LYS 6 -2.792 5.155 6.082 40 HB2 LYS 6 2HB LYS 6 -3.434 2.792 6.307 41 HB3 LYS 6 1HB LYS 6 -1.877 2.299 5.670 42 HG2 LYS 6 2HG LYS 6 -0.754 3.100 7.628 43 HG3 LYS 6 1HG LYS 6 -2.258 3.786 8.267 44 HD2 LYS 6 2HD LYS 6 -3.196 1.505 8.324 45 HD3 LYS 6 1HD LYS 6 -1.647 0.897 7.734 46 HE2 LYS 6 2HE LYS 6 -0.531 1.717 9.704 47 HE3 LYS 6 1HE LYS 6 -2.029 2.423 10.290 48 HZ1 LYS 6 3HZ LYS 6 -1.590 0.289 11.360 49 HZ2 LYS 6 1HZ LYS 6 -1.574 -0.487 9.853 50 HZ3 LYS 6 2HZ LYS 6 -2.986 0.211 10.426 51 HA PRO 7 HA PRO 7 1.426 6.273 5.235 52 HB2 PRO 7 2HB PRO 7 1.954 7.529 7.624 53 HB3 PRO 7 1HB PRO 7 1.182 8.304 6.241 54 HG2 PRO 7 2HG PRO 7 0.013 7.449 8.787 55 HG3 PRO 7 1HG PRO 7 -0.601 8.585 7.577 56 HD2 PRO 7 2HD PRO 7 -1.468 5.914 8.021 57 HD3 PRO 7 1HD PRO 7 -1.965 7.017 6.726 58 H VAL 8 H VAL 8 3.189 5.241 5.400 59 HA VAL 8 HA VAL 8 3.580 3.494 7.709 60 HB VAL 8 HB VAL 8 3.094 2.234 5.623 61 HG11 VAL 8 1HG1 VAL 8 5.548 3.537 4.522 62 HG12 VAL 8 2HG1 VAL 8 3.882 3.740 3.974 63 HG13 VAL 8 3HG1 VAL 8 4.688 2.182 3.789 64 HG21 VAL 8 3HG2 VAL 8 5.057 0.732 5.633 65 HG22 VAL 8 1HG2 VAL 8 4.491 1.139 7.251 66 HG23 VAL 8 2HG2 VAL 8 5.926 1.925 6.597 67 H LYS 9 H LYS 9 5.635 3.343 8.506 68 HA LYS 9 HA LYS 9 7.322 5.640 8.387 69 HB2 LYS 9 2HB LYS 9 6.926 4.098 10.337 70 HB3 LYS 9 1HB LYS 9 7.757 2.842 9.463 71 HG2 LYS 9 2HG LYS 9 9.845 4.093 9.639 72 HG3 LYS 9 1HG LYS 9 8.997 5.387 10.503 73 HD2 LYS 9 2HD LYS 9 8.271 3.739 12.201 74 HD3 LYS 9 1HD LYS 9 9.215 2.503 11.383 75 HE2 LYS 9 2HE LYS 9 10.309 5.021 12.619 76 HE3 LYS 9 1HE LYS 9 10.316 3.439 13.380 77 HZ1 LYS 9 3HZ LYS 9 12.429 3.906 12.430 78 HZ2 LYS 9 1HZ LYS 9 11.789 4.205 10.905 79 HZ3 LYS 9 2HZ LYS 9 11.748 2.649 11.572 80 H VAL 10 H VAL 10 8.476 5.996 6.459 81 HA VAL 10 HA VAL 10 9.827 3.682 5.344 82 HB VAL 10 HB VAL 10 7.700 3.958 4.180 83 HG11 VAL 10 1HG1 VAL 10 8.699 6.680 3.377 84 HG12 VAL 10 2HG1 VAL 10 7.323 6.319 4.422 85 HG13 VAL 10 3HG1 VAL 10 7.273 5.880 2.714 86 HG21 VAL 10 3HG2 VAL 10 9.529 3.022 2.926 87 HG22 VAL 10 1HG2 VAL 10 10.076 4.634 2.465 88 HG23 VAL 10 2HG2 VAL 10 8.536 4.019 1.863 89 H LYS 11 H LYS 11 11.634 4.166 4.095 90 HA LYS 11 HA LYS 11 12.819 6.754 4.663 91 HB2 LYS 11 2HB LYS 11 14.052 4.246 3.515 92 HB3 LYS 11 1HB LYS 11 14.919 5.730 3.890 93 HG2 LYS 11 2HG LYS 11 14.289 5.471 6.253 94 HG3 LYS 11 1HG LYS 11 13.509 3.942 5.848 95 HD2 LYS 11 2HD LYS 11 15.658 3.063 5.071 96 HD3 LYS 11 1HD LYS 11 16.433 4.592 5.491 97 HE2 LYS 11 2HE LYS 11 15.681 4.279 7.819 98 HE3 LYS 11 1HE LYS 11 15.037 2.704 7.368 99 HZ1 LYS 11 3HZ LYS 11 17.202 2.539 8.396 100 HZ2 LYS 11 1HZ LYS 11 17.885 3.515 7.203 101 HZ3 LYS 11 2HZ LYS 11 17.272 1.993 6.800 102 H THR 12 H THR 12 13.448 8.092 3.133 103 HA THR 12 HA THR 12 12.170 7.788 0.532 104 HB THR 12 HB THR 12 12.723 10.205 0.295 105 HG1 THR 12 1HG THR 12 13.724 9.961 2.934 106 HG21 THR 12 3HG2 THR 12 10.611 9.587 1.409 107 HG22 THR 12 1HG2 THR 12 11.283 11.066 2.096 108 HG23 THR 12 2HG2 THR 12 11.444 9.536 2.959 109 HA PRO 13 HA PRO 13 16.084 7.213 -1.630 110 HB2 PRO 13 2HB PRO 13 15.662 9.545 -3.383 111 HB3 PRO 13 1HB PRO 13 15.742 7.831 -3.803 112 HG2 PRO 13 2HG PRO 13 13.439 9.192 -3.902 113 HG3 PRO 13 1HG PRO 13 13.496 7.490 -3.419 114 HD2 PRO 13 2HD PRO 13 13.211 9.933 -1.728 115 HD3 PRO 13 1HD PRO 13 12.420 8.351 -1.601 116 H ALA 14 H ALA 14 15.365 10.177 -0.161 117 HA ALA 14 HA ALA 14 17.889 11.474 -0.629 118 HB1 ALA 14 1HB ALA 14 17.059 13.190 0.898 119 HB2 ALA 14 2HB ALA 14 15.697 12.156 1.329 120 HB3 ALA 14 3HB ALA 14 15.845 12.782 -0.313 121 H GLY 15 H GLY 15 16.670 9.184 1.628 122 HA2 GLY 15 2HA GLY 15 18.255 7.937 2.943 123 HA3 GLY 15 1HA GLY 15 19.175 9.425 3.151 124 H LYS 16 H LYS 16 16.464 10.719 3.502 125 HA LYS 16 HA LYS 16 16.392 10.506 6.390 126 HB2 LYS 16 2HB LYS 16 14.806 12.368 6.281 127 HB3 LYS 16 1HB LYS 16 16.162 12.707 5.208 128 HG2 LYS 16 2HG LYS 16 14.862 11.882 3.331 129 HG3 LYS 16 1HG LYS 16 13.511 11.607 4.395 130 HD2 LYS 16 2HD LYS 16 13.338 14.000 4.850 131 HD3 LYS 16 1HD LYS 16 14.728 14.293 3.782 132 HE2 LYS 16 2HE LYS 16 13.557 13.387 1.896 133 HE3 LYS 16 1HE LYS 16 12.221 12.879 2.917 134 HZ1 LYS 16 3HZ LYS 16 12.980 15.685 2.286 135 HZ2 LYS 16 1HZ LYS 16 11.728 15.194 3.327 136 HZ3 LYS 16 2HZ LYS 16 11.650 14.766 1.707 137 H GLU 17 H GLU 17 14.376 10.095 7.495 138 HA GLU 17 HA GLU 17 12.671 8.168 6.113 139 HB2 GLU 17 2HB GLU 17 14.013 7.196 7.912 140 HB3 GLU 17 1HB GLU 17 13.431 8.425 9.022 141 HG2 GLU 17 2HG GLU 17 11.160 7.559 8.776 142 HG3 GLU 17 1HG GLU 17 11.791 6.335 7.675 143 H ALA 18 H ALA 18 10.442 8.406 6.366 144 HA ALA 18 HA ALA 18 9.361 10.377 8.150 145 HB1 ALA 18 1HB ALA 18 9.064 10.659 5.150 146 HB2 ALA 18 2HB ALA 18 9.933 11.771 6.207 147 HB3 ALA 18 3HB ALA 18 8.184 11.599 6.355 148 H GLU 19 H GLU 19 7.052 10.072 8.330 149 HA GLU 19 HA GLU 19 6.246 7.440 7.421 150 HB2 GLU 19 2HB GLU 19 4.846 9.440 9.219 151 HB3 GLU 19 1HB GLU 19 4.259 7.820 8.867 152 HG2 GLU 19 2HG GLU 19 6.181 6.837 9.942 153 HG3 GLU 19 1HG GLU 19 6.883 8.430 10.206 154 H LEU 20 H LEU 20 5.556 7.388 5.457 155 HA LEU 20 HA LEU 20 4.072 9.693 4.428 156 HB2 LEU 20 2HB LEU 20 6.105 7.936 3.098 157 HB3 LEU 20 1HB LEU 20 5.042 8.999 2.174 158 HG LEU 20 HG LEU 20 7.122 9.849 4.218 159 HD11 LEU 20 1HD1 LEU 20 8.151 9.056 2.168 160 HD12 LEU 20 2HD1 LEU 20 8.262 10.824 2.278 161 HD13 LEU 20 3HD1 LEU 20 7.072 10.085 1.220 162 HD21 LEU 20 3HD2 LEU 20 5.240 11.401 4.178 163 HD22 LEU 20 1HD2 LEU 20 5.368 11.473 2.412 164 HD23 LEU 20 2HD2 LEU 20 6.673 12.104 3.414 165 H VAL 21 H VAL 21 2.386 9.277 3.033 166 HA VAL 21 HA VAL 21 1.321 6.598 3.333 167 HB VAL 21 HB VAL 21 -0.103 8.496 4.072 168 HG11 VAL 21 1HG1 VAL 21 0.527 10.214 2.494 169 HG12 VAL 21 2HG1 VAL 21 -1.214 9.955 2.465 170 HG13 VAL 21 3HG1 VAL 21 -0.206 9.297 1.176 171 HG21 VAL 21 3HG2 VAL 21 -1.166 6.445 3.433 172 HG22 VAL 21 1HG2 VAL 21 -1.185 6.955 1.745 173 HG23 VAL 21 2HG2 VAL 21 -2.165 7.813 2.937 174 HA PRO 22 HA PRO 22 2.411 5.895 -0.884 175 HB2 PRO 22 2HB PRO 22 1.370 3.406 -1.114 176 HB3 PRO 22 1HB PRO 22 2.886 3.731 -0.268 177 HG2 PRO 22 2HG PRO 22 0.158 3.266 0.849 178 HG3 PRO 22 1HG PRO 22 1.724 2.703 1.454 179 HD2 PRO 22 2HD PRO 22 0.367 4.840 2.479 180 HD3 PRO 22 1HD PRO 22 2.128 4.659 2.561 181 H GLU 23 H GLU 23 1.433 6.170 -2.758 182 HA GLU 23 HA GLU 23 -1.294 6.953 -2.860 183 HB2 GLU 23 2HB GLU 23 0.805 6.516 -4.970 184 HB3 GLU 23 1HB GLU 23 -0.768 7.197 -5.317 185 HG2 GLU 23 2HG GLU 23 1.339 8.367 -3.495 186 HG3 GLU 23 1HG GLU 23 0.904 8.946 -5.102 187 H LYS 24 H LYS 24 0.599 4.252 -3.923 188 HA LYS 24 HA LYS 24 -1.745 2.555 -3.963 189 HB2 LYS 24 2HB LYS 24 -0.949 1.515 -6.117 190 HB3 LYS 24 1HB LYS 24 -1.649 3.115 -6.282 191 HG2 LYS 24 2HG LYS 24 0.495 4.112 -6.545 192 HG3 LYS 24 1HG LYS 24 1.307 2.611 -6.096 193 HD2 LYS 24 2HD LYS 24 1.396 3.003 -8.510 194 HD3 LYS 24 1HD LYS 24 0.480 1.550 -8.126 195 HE2 LYS 24 2HE LYS 24 -1.607 2.792 -8.413 196 HE3 LYS 24 1HE LYS 24 -0.691 4.256 -8.781 197 HZ1 LYS 24 3HZ LYS 24 -1.467 3.134 -10.774 198 HZ2 LYS 24 1HZ LYS 24 -0.602 1.742 -10.353 199 HZ3 LYS 24 2HZ LYS 24 0.209 3.176 -10.710 200 H VAL 25 H VAL 25 -1.239 0.419 -3.513 201 HA VAL 25 HA VAL 25 1.571 -0.172 -2.970 202 HB VAL 25 HB VAL 25 0.848 -1.595 -1.050 203 HG11 VAL 25 1HG1 VAL 25 0.415 0.201 0.542 204 HG12 VAL 25 2HG1 VAL 25 0.031 1.285 -0.792 205 HG13 VAL 25 3HG1 VAL 25 1.665 0.653 -0.617 206 HG21 VAL 25 3HG2 VAL 25 -1.389 -1.312 -0.080 207 HG22 VAL 25 1HG2 VAL 25 -1.474 -1.995 -1.705 208 HG23 VAL 25 2HG2 VAL 25 -1.848 -0.293 -1.441 209 H TRP 26 H TRP 26 2.226 -2.231 -3.470 210 HA TRP 26 HA TRP 26 0.268 -4.116 -4.392 211 HB2 TRP 26 2HB TRP 26 1.441 -4.524 -6.532 212 HB3 TRP 26 1HB TRP 26 0.779 -2.901 -6.456 213 HD1 TRP 26 HD TRP 26 3.971 -4.778 -7.023 214 HE1 TRP 26 1HE TRP 26 5.890 -3.127 -7.466 215 HE3 TRP 26 3HE TRP 26 1.656 -0.456 -5.648 216 HZ2 TRP 26 2HZ TRP 26 6.357 -0.355 -7.250 217 HZ3 TRP 26 3HZ TRP 26 2.913 1.651 -5.788 218 HH2 TRP 26 HH TRP 26 5.172 1.714 -6.559 219 H ALA 27 H ALA 27 1.173 -6.225 -4.607 220 HA ALA 27 HA ALA 27 3.575 -6.523 -2.951 221 HB1 ALA 27 1HB ALA 27 1.545 -7.290 -1.829 222 HB2 ALA 27 2HB ALA 27 2.644 -8.628 -2.185 223 HB3 ALA 27 3HB ALA 27 1.213 -8.368 -3.182 224 H LEU 28 H LEU 28 4.953 -8.163 -3.440 225 HA LEU 28 HA LEU 28 4.645 -9.433 -6.065 226 HB2 LEU 28 2HB LEU 28 7.206 -8.547 -4.687 227 HB3 LEU 28 1HB LEU 28 7.174 -9.564 -6.097 228 HG LEU 28 HG LEU 28 6.186 -7.633 -7.381 229 HD11 LEU 28 1HD1 LEU 28 5.246 -6.369 -5.518 230 HD12 LEU 28 2HD1 LEU 28 6.376 -5.387 -6.448 231 HD13 LEU 28 3HD1 LEU 28 6.867 -6.069 -4.896 232 HD21 LEU 28 3HD2 LEU 28 8.289 -6.438 -7.578 233 HD22 LEU 28 1HD2 LEU 28 8.562 -8.175 -7.455 234 HD23 LEU 28 2HD2 LEU 28 8.842 -7.138 -6.057 235 H ALA 29 H ALA 29 3.617 -11.177 -5.091 236 HA ALA 29 HA ALA 29 5.351 -12.694 -3.306 237 HB1 ALA 29 1HB ALA 29 2.396 -12.374 -2.903 238 HB2 ALA 29 2HB ALA 29 3.649 -11.524 -1.992 239 HB3 ALA 29 3HB ALA 29 3.533 -13.292 -1.909 240 HA PRO 30 HA PRO 30 3.882 -15.810 -6.208 241 HB2 PRO 30 2HB PRO 30 6.549 -16.891 -6.106 242 HB3 PRO 30 1HB PRO 30 5.740 -16.170 -7.497 243 HG2 PRO 30 2HG PRO 30 7.913 -15.038 -6.250 244 HG3 PRO 30 1HG PRO 30 6.701 -14.110 -7.149 245 HD2 PRO 30 2HD PRO 30 6.955 -14.546 -4.200 246 HD3 PRO 30 1HD PRO 30 6.541 -13.064 -5.088 247 H LYS 31 H LYS 31 3.161 -17.763 -5.385 248 HA LYS 31 HA LYS 31 3.414 -18.226 -2.628 249 HB2 LYS 31 2HB LYS 31 2.234 -19.890 -4.831 250 HB3 LYS 31 1HB LYS 31 2.408 -20.554 -3.218 251 HG2 LYS 31 2HG LYS 31 0.184 -19.761 -3.423 252 HG3 LYS 31 1HG LYS 31 1.034 -18.647 -2.365 253 HD2 LYS 31 2HD LYS 31 1.304 -17.099 -4.282 254 HD3 LYS 31 1HD LYS 31 0.378 -18.226 -5.281 255 HE2 LYS 31 2HE LYS 31 -1.508 -18.017 -3.680 256 HE3 LYS 31 1HE LYS 31 -0.579 -16.806 -2.807 257 HZ1 LYS 31 3HZ LYS 31 -0.583 -15.449 -4.871 258 HZ2 LYS 31 1HZ LYS 31 -2.137 -15.747 -4.272 259 HZ3 LYS 31 2HZ LYS 31 -1.573 -16.613 -5.588 260 H GLY 32 H GLY 32 5.051 -18.887 -1.570 261 HA2 GLY 32 2HA GLY 32 6.482 -20.635 -0.873 262 HA3 GLY 32 1HA GLY 32 6.567 -21.195 -2.539 263 H ARG 33 H ARG 33 6.823 -17.903 -2.587 264 HA ARG 33 HA ARG 33 9.743 -18.122 -2.567 265 HB2 ARG 33 2HB ARG 33 7.962 -16.668 -4.465 266 HB3 ARG 33 1HB ARG 33 9.660 -16.256 -4.319 267 HG2 ARG 33 2HG ARG 33 10.305 -18.531 -4.902 268 HG3 ARG 33 1HG ARG 33 8.609 -18.999 -5.018 269 HD2 ARG 33 2HD ARG 33 9.660 -18.585 -7.220 270 HD3 ARG 33 1HD ARG 33 8.301 -17.512 -6.915 271 HE ARG 33 HE ARG 33 10.756 -16.340 -6.112 272 HH11 ARG 33 1HH1 ARG 33 8.870 -17.066 -9.004 273 HH12 ARG 33 2HH1 ARG 33 9.436 -15.732 -9.889 274 HH21 ARG 33 1HH2 ARG 33 11.559 -14.527 -7.332 275 HH22 ARG 33 2HH2 ARG 33 11.024 -14.257 -8.913 276 H LYS 34 H LYS 34 7.478 -15.402 -2.633 277 HA LYS 34 HA LYS 34 8.822 -14.310 -0.291 278 HB2 LYS 34 2HB LYS 34 8.768 -12.953 -2.982 279 HB3 LYS 34 1HB LYS 34 8.916 -12.040 -1.494 280 HG2 LYS 34 2HG LYS 34 10.841 -14.182 -2.391 281 HG3 LYS 34 1HG LYS 34 11.072 -12.446 -2.627 282 HD2 LYS 34 2HD LYS 34 11.004 -12.121 -0.196 283 HD3 LYS 34 1HD LYS 34 10.786 -13.858 0.020 284 HE2 LYS 34 2HE LYS 34 12.952 -14.265 -1.017 285 HE3 LYS 34 1HE LYS 34 13.164 -12.534 -1.262 286 HZ1 LYS 34 3HZ LYS 34 12.892 -13.843 1.401 287 HZ2 LYS 34 1HZ LYS 34 13.150 -12.214 1.110 288 HZ3 LYS 34 2HZ LYS 34 14.338 -13.321 0.713 289 H GLY 35 H GLY 35 7.795 -12.173 0.287 290 HA2 GLY 35 2HA GLY 35 5.012 -11.921 -0.493 291 HA3 GLY 35 1HA GLY 35 5.385 -12.190 1.213 292 H VAL 36 H VAL 36 7.122 -10.373 -1.236 293 HA VAL 36 HA VAL 36 7.452 -8.263 0.691 294 HB VAL 36 HB VAL 36 9.031 -7.231 -0.885 295 HG11 VAL 36 1HG1 VAL 36 9.870 -8.828 0.722 296 HG12 VAL 36 2HG1 VAL 36 10.767 -8.956 -0.791 297 HG13 VAL 36 3HG1 VAL 36 9.535 -10.153 -0.392 298 HG21 VAL 36 3HG2 VAL 36 8.029 -7.905 -2.981 299 HG22 VAL 36 1HG2 VAL 36 8.422 -9.597 -2.665 300 HG23 VAL 36 2HG2 VAL 36 9.715 -8.420 -2.928 301 H LYS 37 H LYS 37 7.062 -6.095 0.237 302 HA LYS 37 HA LYS 37 4.718 -5.692 -1.486 303 HB2 LYS 37 2HB LYS 37 5.212 -4.805 1.352 304 HB3 LYS 37 1HB LYS 37 3.794 -4.367 0.411 305 HG2 LYS 37 2HG LYS 37 3.092 -6.685 0.330 306 HG3 LYS 37 1HG LYS 37 4.600 -7.204 1.070 307 HD2 LYS 37 2HD LYS 37 3.993 -6.071 3.129 308 HD3 LYS 37 1HD LYS 37 2.500 -5.487 2.388 309 HE2 LYS 37 2HE LYS 37 2.041 -7.425 3.756 310 HE3 LYS 37 1HE LYS 37 1.770 -7.816 2.062 311 HZ1 LYS 37 3HZ LYS 37 4.049 -8.655 3.785 312 HZ2 LYS 37 1HZ LYS 37 4.058 -8.895 2.103 313 HZ3 LYS 37 2HZ LYS 37 2.908 -9.621 3.062 314 H ILE 38 H ILE 38 4.675 -3.614 -2.443 315 HA ILE 38 HA ILE 38 6.795 -1.749 -1.695 316 HB ILE 38 HB ILE 38 6.157 -2.449 -4.602 317 HG12 ILE 38 2HG1 ILE 38 8.680 -3.036 -3.029 318 HG13 ILE 38 1HG1 ILE 38 7.505 -4.250 -3.495 319 HG21 ILE 38 1HG2 ILE 38 6.756 -0.124 -4.329 320 HG22 ILE 38 2HG2 ILE 38 8.034 -0.995 -5.177 321 HG23 ILE 38 3HG2 ILE 38 8.231 -0.580 -3.475 322 HD11 ILE 38 3HD1 ILE 38 8.015 -3.787 -5.859 323 HD12 ILE 38 1HD1 ILE 38 9.437 -4.308 -4.956 324 HD13 ILE 38 2HD1 ILE 38 9.218 -2.602 -5.350 325 H GLY 39 H GLY 39 6.208 0.380 -1.921 326 HA2 GLY 39 2HA GLY 39 3.501 0.867 -2.930 327 HA3 GLY 39 1HA GLY 39 4.011 1.523 -1.376 328 H LEU 40 H LEU 40 3.184 2.853 -3.797 329 HA LEU 40 HA LEU 40 5.637 4.249 -4.552 330 HB2 LEU 40 2HB LEU 40 4.292 3.553 -6.405 331 HB3 LEU 40 1HB LEU 40 2.860 4.292 -5.748 332 HG LEU 40 HG LEU 40 3.983 6.528 -6.060 333 HD11 LEU 40 1HD1 LEU 40 6.284 5.817 -6.064 334 HD12 LEU 40 2HD1 LEU 40 5.887 6.620 -7.588 335 HD13 LEU 40 3HD1 LEU 40 6.012 4.865 -7.524 336 HD21 LEU 40 3HD2 LEU 40 2.377 5.681 -7.667 337 HD22 LEU 40 1HD2 LEU 40 3.678 4.821 -8.501 338 HD23 LEU 40 2HD2 LEU 40 3.678 6.587 -8.463 339 H PHE 41 H PHE 41 6.110 6.074 -3.681 340 HA PHE 41 HA PHE 41 4.089 7.500 -2.070 341 HB2 PHE 41 2HB PHE 41 7.069 7.306 -1.652 342 HB3 PHE 41 1HB PHE 41 5.954 8.210 -0.671 343 HD1 PHE 41 1HD PHE 41 4.501 7.074 0.896 344 HD2 PHE 41 2HD PHE 41 7.240 4.912 -1.520 345 HE1 PHE 41 1HE PHE 41 4.236 5.126 2.347 346 HE2 PHE 41 2HE PHE 41 6.973 2.947 -0.073 347 HZ PHE 41 HZ PHE 41 5.465 3.056 1.866 348 H LYS 42 H LYS 42 4.810 9.757 -1.713 349 HA LYS 42 HA LYS 42 6.450 10.899 -3.826 350 HB2 LYS 42 2HB LYS 42 4.114 11.384 -4.456 351 HB3 LYS 42 1HB LYS 42 3.798 12.005 -2.838 352 HG2 LYS 42 2HG LYS 42 5.489 13.773 -3.229 353 HG3 LYS 42 1HG LYS 42 5.670 13.190 -4.882 354 HD2 LYS 42 2HD LYS 42 3.341 13.701 -5.339 355 HD3 LYS 42 1HD LYS 42 3.109 14.223 -3.666 356 HE2 LYS 42 2HE LYS 42 4.987 15.487 -5.666 357 HE3 LYS 42 1HE LYS 42 3.419 16.129 -5.183 358 HZ1 LYS 42 3HZ LYS 42 4.252 16.381 -2.932 359 HZ2 LYS 42 1HZ LYS 42 5.212 17.226 -4.003 360 HZ3 LYS 42 2HZ LYS 42 5.774 15.790 -3.361 361 H ASP 43 H ASP 43 8.002 12.048 -2.909 362 HA ASP 43 HA ASP 43 7.901 12.505 -0.075 363 HB2 ASP 43 2HB ASP 43 10.059 11.889 -0.954 364 HB3 ASP 43 1HB ASP 43 10.056 13.187 -2.120 365 HA PRO 44 HA PRO 44 5.907 16.401 -0.457 366 HB2 PRO 44 2HB PRO 44 6.181 17.201 2.122 367 HB3 PRO 44 1HB PRO 44 5.020 15.973 1.606 368 HG2 PRO 44 2HG PRO 44 7.711 15.617 2.887 369 HG3 PRO 44 1HG PRO 44 6.197 14.742 3.178 370 HD2 PRO 44 2HD PRO 44 8.228 13.784 1.666 371 HD3 PRO 44 1HD PRO 44 6.521 13.358 1.405 372 H GLU 45 H GLU 45 9.231 16.102 0.275 373 HA GLU 45 HA GLU 45 9.575 18.994 0.491 374 HB2 GLU 45 2HB GLU 45 10.637 17.666 2.192 375 HB3 GLU 45 1HB GLU 45 11.450 16.696 0.978 376 HG2 GLU 45 2HG GLU 45 12.784 18.605 0.327 377 HG3 GLU 45 1HG GLU 45 11.932 19.616 1.499 378 H THR 46 H THR 46 10.943 16.277 -1.307 379 HA THR 46 HA THR 46 12.227 18.026 -3.197 380 HB THR 46 HB THR 46 12.896 15.877 -4.301 381 HG1 THR 46 1HG THR 46 11.609 14.685 -2.055 382 HG21 THR 46 3HG2 THR 46 14.358 15.098 -2.484 383 HG22 THR 46 1HG2 THR 46 13.375 15.973 -1.312 384 HG23 THR 46 2HG2 THR 46 14.303 16.862 -2.516 385 H GLY 47 H GLY 47 9.368 15.994 -3.047 386 HA2 GLY 47 2HA GLY 47 7.437 16.386 -4.266 387 HA3 GLY 47 1HA GLY 47 8.411 17.281 -5.430 388 H LYS 48 H LYS 48 9.969 14.436 -4.704 389 HA LYS 48 HA LYS 48 9.186 13.439 -7.310 390 HB2 LYS 48 2HB LYS 48 11.078 11.910 -7.147 391 HB3 LYS 48 1HB LYS 48 11.559 13.573 -6.857 392 HG2 LYS 48 2HG LYS 48 11.674 13.145 -4.461 393 HG3 LYS 48 1HG LYS 48 11.098 11.497 -4.719 394 HD2 LYS 48 2HD LYS 48 13.526 11.540 -4.411 395 HD3 LYS 48 1HD LYS 48 13.103 11.001 -6.037 396 HE2 LYS 48 2HE LYS 48 13.563 13.253 -6.896 397 HE3 LYS 48 1HE LYS 48 13.976 13.780 -5.264 398 HZ1 LYS 48 3HZ LYS 48 15.405 11.661 -6.777 399 HZ2 LYS 48 1HZ LYS 48 15.816 12.265 -5.261 400 HZ3 LYS 48 2HZ LYS 48 15.913 13.254 -6.627 401 H TYR 49 H TYR 49 8.496 11.390 -7.732 402 HA TYR 49 HA TYR 49 7.092 10.031 -5.567 403 HB2 TYR 49 2HB TYR 49 7.012 9.773 -8.573 404 HB3 TYR 49 1HB TYR 49 6.225 8.625 -7.506 405 HD1 TYR 49 2HD TYR 49 6.319 12.261 -8.313 406 HD2 TYR 49 1HD TYR 49 4.031 8.985 -6.869 407 HE1 TYR 49 2HE TYR 49 4.314 13.663 -8.326 408 HE2 TYR 49 1HE TYR 49 2.009 10.383 -6.881 409 HH TYR 49 HH TYR 49 1.414 12.750 -6.813 410 H PHE 50 H PHE 50 7.727 8.039 -4.869 411 HA PHE 50 HA PHE 50 9.742 6.654 -6.438 412 HB2 PHE 50 2HB PHE 50 11.269 6.378 -4.561 413 HB3 PHE 50 1HB PHE 50 11.025 8.086 -4.876 414 HD1 PHE 50 2HD PHE 50 9.489 9.397 -3.298 415 HD2 PHE 50 1HD PHE 50 10.835 5.443 -2.476 416 HE1 PHE 50 2HE PHE 50 8.933 9.701 -0.900 417 HE2 PHE 50 1HE PHE 50 10.285 5.744 -0.099 418 HZ PHE 50 HZ PHE 50 9.342 7.859 0.690 419 H ARG 51 H ARG 51 9.553 4.466 -6.301 420 HA ARG 51 HA ARG 51 7.579 3.500 -4.442 421 HB2 ARG 51 2HB ARG 51 7.733 1.411 -5.876 422 HB3 ARG 51 1HB ARG 51 6.959 2.817 -6.597 423 HG2 ARG 51 2HG ARG 51 9.069 3.265 -7.801 424 HG3 ARG 51 1HG ARG 51 9.735 1.769 -7.133 425 HD2 ARG 51 2HD ARG 51 8.055 0.464 -8.249 426 HD3 ARG 51 1HD ARG 51 7.203 1.918 -8.772 427 HE ARG 51 HE ARG 51 9.927 1.710 -9.666 428 HH11 ARG 51 1HH1 ARG 51 6.554 0.887 -10.437 429 HH12 ARG 51 2HH1 ARG 51 6.810 0.823 -12.115 430 HH21 ARG 51 1HH2 ARG 51 10.246 1.643 -11.982 431 HH22 ARG 51 2HH2 ARG 51 8.946 1.231 -13.014 432 H HIS 52 H HIS 52 8.101 2.426 -2.774 433 HA HIS 52 HA HIS 52 10.880 1.479 -2.486 434 HB2 HIS 52 2HB HIS 52 10.474 3.721 -1.389 435 HB3 HIS 52 1HB HIS 52 9.262 2.952 -0.386 436 HD1 HIS 52 1HD HIS 52 10.257 1.115 1.402 437 HD2 HIS 52 2HD HIS 52 13.042 3.571 -0.482 438 HE1 HIS 52 1HE HIS 52 12.245 1.087 2.856 439 HE2 HIS 52 2HE HIS 52 14.016 2.270 1.526 440 H LYS 53 H LYS 53 11.012 -0.436 -1.255 441 HA LYS 53 HA LYS 53 8.604 -1.875 -1.138 442 HB2 LYS 53 2HB LYS 53 9.876 -3.786 -0.366 443 HB3 LYS 53 1HB LYS 53 10.778 -2.989 -1.625 444 HG2 LYS 53 2HG LYS 53 12.440 -3.526 -0.128 445 HG3 LYS 53 1HG LYS 53 12.067 -1.872 0.353 446 HD2 LYS 53 2HD LYS 53 12.271 -3.218 2.351 447 HD3 LYS 53 1HD LYS 53 10.573 -2.800 2.136 448 HE2 LYS 53 2HE LYS 53 10.199 -5.069 1.112 449 HE3 LYS 53 1HE LYS 53 11.887 -5.444 1.458 450 HZ1 LYS 53 3HZ LYS 53 11.433 -5.194 3.806 451 HZ2 LYS 53 1HZ LYS 53 10.322 -6.310 3.180 452 HZ3 LYS 53 2HZ LYS 53 9.844 -4.737 3.463 453 H LEU 54 H LEU 54 7.450 -2.569 0.556 454 HA LEU 54 HA LEU 54 7.452 -0.725 2.823 455 HB2 LEU 54 2HB LEU 54 5.414 -2.857 2.260 456 HB3 LEU 54 1HB LEU 54 5.238 -1.420 3.181 457 HG LEU 54 HG LEU 54 5.526 -1.360 0.186 458 HD11 LEU 54 1HD1 LEU 54 3.068 -1.058 1.905 459 HD12 LEU 54 2HD1 LEU 54 3.432 -2.441 0.881 460 HD13 LEU 54 3HD1 LEU 54 3.150 -0.861 0.155 461 HD21 LEU 54 3HD2 LEU 54 6.290 0.638 1.331 462 HD22 LEU 54 1HD2 LEU 54 4.751 0.718 2.199 463 HD23 LEU 54 2HD2 LEU 54 4.786 0.925 0.443 464 HA PRO 55 HA PRO 55 8.657 -4.008 5.600 465 HB2 PRO 55 2HB PRO 55 6.218 -3.632 7.252 466 HB3 PRO 55 1HB PRO 55 7.907 -3.428 7.723 467 HG2 PRO 55 2HG PRO 55 6.341 -1.295 7.413 468 HG3 PRO 55 1HG PRO 55 8.028 -1.265 6.841 469 HD2 PRO 55 2HD PRO 55 5.526 -1.808 5.281 470 HD3 PRO 55 1HD PRO 55 6.799 -0.689 4.827 471 H ASP 56 H ASP 56 8.306 -6.197 5.639 472 HA ASP 56 HA ASP 56 6.386 -7.344 3.933 473 HB2 ASP 56 2HB ASP 56 8.108 -8.548 6.096 474 HB3 ASP 56 1HB ASP 56 7.102 -9.512 5.030 475 H ASP 57 H ASP 57 6.437 -6.540 7.217 476 HA ASP 57 HA ASP 57 4.189 -8.168 8.060 477 HB2 ASP 57 2HB ASP 57 5.802 -6.085 9.528 478 HB3 ASP 57 1HB ASP 57 4.575 -7.116 10.251 479 H TYR 58 H TYR 58 4.367 -5.397 6.351 480 HA TYR 58 HA TYR 58 2.484 -3.828 7.833 481 HB2 TYR 58 2HB TYR 58 4.265 -2.815 6.532 482 HB3 TYR 58 1HB TYR 58 3.624 -3.542 5.065 483 HD1 TYR 58 2HD TYR 58 2.551 -1.283 7.854 484 HD2 TYR 58 1HD TYR 58 2.351 -2.158 3.707 485 HE1 TYR 58 2HE TYR 58 1.231 0.783 7.474 486 HE2 TYR 58 1HE TYR 58 1.041 -0.105 3.333 487 HH TYR 58 HH TYR 58 -0.352 1.419 4.540 488 HA PRO 59 HA PRO 59 -0.928 -6.009 5.933 489 HB2 PRO 59 2HB PRO 59 -2.740 -4.178 7.163 490 HB3 PRO 59 1HB PRO 59 -2.433 -5.854 7.601 491 HG2 PRO 59 2HG PRO 59 -1.742 -3.739 9.206 492 HG3 PRO 59 1HG PRO 59 -0.899 -5.297 9.215 493 HD2 PRO 59 2HD PRO 59 -0.102 -2.726 7.901 494 HD3 PRO 59 1HD PRO 59 0.867 -3.952 8.751 495 H ILE 60 H ILE 60 -0.986 -5.592 3.828 496 HA ILE 60 HA ILE 60 -2.243 -3.093 3.051 497 HB ILE 60 HB ILE 60 -1.403 -3.493 0.726 498 HG12 ILE 60 2HG1 ILE 60 0.374 -5.601 1.978 499 HG13 ILE 60 1HG1 ILE 60 -1.009 -5.956 0.959 500 HG21 ILE 60 1HG2 ILE 60 0.901 -2.790 1.151 501 HG22 ILE 60 2HG2 ILE 60 0.703 -3.249 2.844 502 HG23 ILE 60 3HG2 ILE 60 -0.270 -1.945 2.165 503 HD11 ILE 60 3HD1 ILE 60 0.066 -4.797 -0.908 504 HD12 ILE 60 1HD1 ILE 60 1.061 -6.111 -0.281 505 HD13 ILE 60 2HD1 ILE 60 1.455 -4.438 0.118 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -6.784 -4.014 3.537 2 H2 MET 1 2HT MET 1 -5.448 -3.815 2.531 3 H3 MET 1 3HT MET 1 -6.596 -5.014 2.169 4 HA MET 1 HA MET 1 -6.819 -3.122 0.738 5 HB2 MET 1 2HB MET 1 -9.171 -2.657 1.045 6 HB3 MET 1 1HB MET 1 -8.909 -4.317 1.537 7 HG2 MET 1 2HG MET 1 -9.234 -1.954 3.396 8 HG3 MET 1 1HG MET 1 -10.471 -3.143 3.012 9 HE1 MET 1 2HE MET 1 -9.585 -2.302 6.003 10 HE2 MET 1 3HE MET 1 -9.584 -3.891 6.773 11 HE3 MET 1 1HE MET 1 -10.862 -3.463 5.637 12 H SER 2 H SER 2 -6.855 -0.892 0.480 13 HA SER 2 HA SER 2 -5.853 0.519 2.794 14 HB2 SER 2 2HB SER 2 -5.969 1.340 -0.112 15 HB3 SER 2 1HB SER 2 -5.205 2.268 1.180 16 HG SER 2 HG SER 2 -3.557 1.165 0.463 17 H SER 3 H SER 3 -7.620 0.959 4.031 18 HA SER 3 HA SER 3 -9.806 2.384 2.793 19 HB2 SER 3 2HB SER 3 -9.462 1.502 5.662 20 HB3 SER 3 1HB SER 3 -10.946 2.054 4.874 21 HG SER 3 HG SER 3 -10.570 -0.262 5.142 22 H GLY 4 H GLY 4 -8.679 4.320 2.315 23 HA2 GLY 4 2HA GLY 4 -8.520 6.562 2.903 24 HA3 GLY 4 1HA GLY 4 -8.539 6.094 4.598 25 H LYS 5 H LYS 5 -6.741 7.200 5.239 26 HA LYS 5 HA LYS 5 -4.272 6.764 3.809 27 HB2 LYS 5 2HB LYS 5 -4.921 8.514 6.147 28 HB3 LYS 5 1HB LYS 5 -3.277 8.211 5.632 29 HG2 LYS 5 2HG LYS 5 -3.982 9.112 3.366 30 HG3 LYS 5 1HG LYS 5 -5.451 9.670 4.170 31 HD2 LYS 5 2HD LYS 5 -4.148 10.937 5.775 32 HD3 LYS 5 1HD LYS 5 -2.657 10.308 5.078 33 HE2 LYS 5 2HE LYS 5 -3.233 11.435 2.947 34 HE3 LYS 5 1HE LYS 5 -4.657 12.116 3.729 35 HZ1 LYS 5 3HZ LYS 5 -2.803 13.659 3.691 36 HZ2 LYS 5 1HZ LYS 5 -1.854 12.601 4.580 37 HZ3 LYS 5 2HZ LYS 5 -3.219 13.281 5.282 38 H LYS 6 H LYS 6 -2.681 5.606 4.395 39 HA LYS 6 HA LYS 6 -2.345 4.777 7.130 40 HB2 LYS 6 2HB LYS 6 -2.365 2.907 4.751 41 HB3 LYS 6 1HB LYS 6 -1.410 2.533 6.177 42 HG2 LYS 6 2HG LYS 6 -3.445 2.595 7.533 43 HG3 LYS 6 1HG LYS 6 -4.407 2.896 6.079 44 HD2 LYS 6 2HD LYS 6 -2.678 0.473 6.596 45 HD3 LYS 6 1HD LYS 6 -4.415 0.530 6.848 46 HE2 LYS 6 2HE LYS 6 -4.666 1.063 4.419 47 HE3 LYS 6 1HE LYS 6 -2.930 0.797 4.236 48 HZ1 LYS 6 3HZ LYS 6 -4.119 -1.276 3.704 49 HZ2 LYS 6 1HZ LYS 6 -4.909 -1.183 5.188 50 HZ3 LYS 6 2HZ LYS 6 -3.248 -1.448 5.109 51 HA PRO 7 HA PRO 7 1.426 6.502 5.461 52 HB2 PRO 7 2HB PRO 7 2.051 7.929 7.732 53 HB3 PRO 7 1HB PRO 7 1.041 8.523 6.408 54 HG2 PRO 7 2HG PRO 7 0.246 7.798 9.104 55 HG3 PRO 7 1HG PRO 7 -0.651 8.652 7.834 56 HD2 PRO 7 2HD PRO 7 -0.870 5.866 8.643 57 HD3 PRO 7 1HD PRO 7 -1.860 6.821 7.510 58 H VAL 8 H VAL 8 3.094 5.256 5.434 59 HA VAL 8 HA VAL 8 3.753 3.672 7.803 60 HB VAL 8 HB VAL 8 3.190 2.384 5.751 61 HG11 VAL 8 1HG1 VAL 8 4.661 2.367 3.829 62 HG12 VAL 8 2HG1 VAL 8 5.542 3.738 4.508 63 HG13 VAL 8 3HG1 VAL 8 3.846 3.913 4.058 64 HG21 VAL 8 3HG2 VAL 8 5.156 0.927 5.668 65 HG22 VAL 8 1HG2 VAL 8 4.727 1.370 7.320 66 HG23 VAL 8 2HG2 VAL 8 6.091 2.156 6.526 67 H LYS 9 H LYS 9 5.863 3.647 8.559 68 HA LYS 9 HA LYS 9 7.454 5.983 8.049 69 HB2 LYS 9 2HB LYS 9 7.236 4.846 10.278 70 HB3 LYS 9 1HB LYS 9 8.045 3.448 9.615 71 HG2 LYS 9 2HG LYS 9 10.063 4.845 9.270 72 HG3 LYS 9 1HG LYS 9 9.229 6.170 10.099 73 HD2 LYS 9 2HD LYS 9 8.921 4.731 12.066 74 HD3 LYS 9 1HD LYS 9 9.787 3.432 11.256 75 HE2 LYS 9 2HE LYS 9 11.297 4.496 12.768 76 HE3 LYS 9 1HE LYS 9 11.774 4.945 11.132 77 HZ1 LYS 9 3HZ LYS 9 10.648 7.078 11.447 78 HZ2 LYS 9 1HZ LYS 9 11.823 6.832 12.634 79 HZ3 LYS 9 2HZ LYS 9 10.195 6.616 12.998 80 H VAL 10 H VAL 10 8.495 6.048 6.138 81 HA VAL 10 HA VAL 10 9.831 3.620 5.222 82 HB VAL 10 HB VAL 10 7.741 3.932 4.007 83 HG11 VAL 10 1HG1 VAL 10 8.822 6.613 3.175 84 HG12 VAL 10 2HG1 VAL 10 7.417 6.311 4.198 85 HG13 VAL 10 3HG1 VAL 10 7.388 5.841 2.499 86 HG21 VAL 10 3HG2 VAL 10 10.144 4.524 2.304 87 HG22 VAL 10 1HG2 VAL 10 8.589 3.941 1.712 88 HG23 VAL 10 2HG2 VAL 10 9.551 2.934 2.793 89 H LYS 11 H LYS 11 11.722 3.965 4.044 90 HA LYS 11 HA LYS 11 13.122 6.379 4.695 91 HB2 LYS 11 2HB LYS 11 13.962 3.920 3.163 92 HB3 LYS 11 1HB LYS 11 15.022 5.287 3.464 93 HG2 LYS 11 2HG LYS 11 14.870 4.924 5.850 94 HG3 LYS 11 1HG LYS 11 13.729 3.601 5.595 95 HD2 LYS 11 2HD LYS 11 15.426 2.344 4.410 96 HD3 LYS 11 1HD LYS 11 16.555 3.691 4.562 97 HE2 LYS 11 2HE LYS 11 15.345 2.244 6.911 98 HE3 LYS 11 1HE LYS 11 16.897 1.826 6.202 99 HZ1 LYS 11 3HZ LYS 11 16.215 4.465 7.431 100 HZ2 LYS 11 1HZ LYS 11 17.691 4.063 6.739 101 HZ3 LYS 11 2HZ LYS 11 17.188 3.276 8.119 102 H THR 12 H THR 12 13.236 8.040 3.532 103 HA THR 12 HA THR 12 11.956 8.319 1.002 104 HB THR 12 HB THR 12 12.862 10.674 1.245 105 HG1 THR 12 1HG THR 12 13.533 9.933 3.846 106 HG21 THR 12 3HG2 THR 12 10.647 10.035 2.120 107 HG22 THR 12 1HG2 THR 12 11.422 11.215 3.177 108 HG23 THR 12 2HG2 THR 12 11.395 9.511 3.629 109 HA PRO 13 HA PRO 13 15.565 7.983 -1.699 110 HB2 PRO 13 2HB PRO 13 15.045 10.592 -2.961 111 HB3 PRO 13 1HB PRO 13 14.956 8.976 -3.667 112 HG2 PRO 13 2HG PRO 13 12.764 10.463 -3.196 113 HG3 PRO 13 1HG PRO 13 12.758 8.696 -3.085 114 HD2 PRO 13 2HD PRO 13 12.880 10.732 -0.903 115 HD3 PRO 13 1HD PRO 13 11.979 9.199 -0.979 116 H ALA 14 H ALA 14 14.963 10.890 0.032 117 HA ALA 14 HA ALA 14 17.502 12.087 -0.211 118 HB1 ALA 14 1HB ALA 14 16.809 13.450 1.713 119 HB2 ALA 14 2HB ALA 14 15.446 12.360 1.973 120 HB3 ALA 14 3HB ALA 14 15.525 13.337 0.507 121 H GLY 15 H GLY 15 16.071 9.866 2.136 122 HA2 GLY 15 2HA GLY 15 17.630 8.063 2.809 123 HA3 GLY 15 1HA GLY 15 18.822 9.321 3.068 124 H LYS 16 H LYS 16 15.471 9.650 4.089 125 HA LYS 16 HA LYS 16 16.207 8.817 6.750 126 HB2 LYS 16 2HB LYS 16 15.316 10.817 7.888 127 HB3 LYS 16 1HB LYS 16 16.678 11.225 6.874 128 HG2 LYS 16 2HG LYS 16 13.781 11.736 6.163 129 HG3 LYS 16 1HG LYS 16 14.866 12.913 6.899 130 HD2 LYS 16 2HD LYS 16 16.355 12.644 4.890 131 HD3 LYS 16 1HD LYS 16 15.099 11.643 4.179 132 HE2 LYS 16 2HE LYS 16 14.842 13.869 3.308 133 HE3 LYS 16 1HE LYS 16 13.512 13.556 4.416 134 HZ1 LYS 16 3HZ LYS 16 14.714 14.848 6.122 135 HZ2 LYS 16 1HZ LYS 16 14.402 15.740 4.722 136 HZ3 LYS 16 2HZ LYS 16 15.952 15.149 5.008 137 H GLU 17 H GLU 17 14.291 8.614 8.196 138 HA GLU 17 HA GLU 17 12.252 7.372 6.592 139 HB2 GLU 17 2HB GLU 17 12.650 7.374 9.566 140 HB3 GLU 17 1HB GLU 17 11.306 6.591 8.752 141 HG2 GLU 17 2HG GLU 17 12.799 4.885 9.132 142 HG3 GLU 17 1HG GLU 17 13.083 5.311 7.460 143 H ALA 18 H ALA 18 10.390 8.175 6.167 144 HA ALA 18 HA ALA 18 9.275 10.245 7.899 145 HB1 ALA 18 1HB ALA 18 8.408 11.385 5.889 146 HB2 ALA 18 2HB ALA 18 9.276 10.238 4.872 147 HB3 ALA 18 3HB ALA 18 10.172 11.354 5.902 148 H GLU 19 H GLU 19 7.029 10.092 8.070 149 HA GLU 19 HA GLU 19 6.012 7.538 7.195 150 HB2 GLU 19 2HB GLU 19 4.910 9.590 9.110 151 HB3 GLU 19 1HB GLU 19 4.050 8.116 8.661 152 HG2 GLU 19 2HG GLU 19 5.810 6.753 9.544 153 HG3 GLU 19 1HG GLU 19 6.782 8.179 9.890 154 H LEU 20 H LEU 20 5.312 7.460 5.341 155 HA LEU 20 HA LEU 20 3.904 9.744 4.171 156 HB2 LEU 20 2HB LEU 20 5.764 7.747 2.916 157 HB3 LEU 20 1HB LEU 20 4.848 8.941 2.002 158 HG LEU 20 HG LEU 20 7.043 9.501 4.011 159 HD11 LEU 20 1HD1 LEU 20 8.322 10.232 2.072 160 HD12 LEU 20 2HD1 LEU 20 7.006 9.740 1.010 161 HD13 LEU 20 3HD1 LEU 20 7.884 8.527 1.947 162 HD21 LEU 20 3HD2 LEU 20 6.888 11.819 3.233 163 HD22 LEU 20 1HD2 LEU 20 5.381 11.294 3.984 164 HD23 LEU 20 2HD2 LEU 20 5.510 11.388 2.225 165 H VAL 21 H VAL 21 2.038 9.281 3.094 166 HA VAL 21 HA VAL 21 1.074 6.591 3.388 167 HB VAL 21 HB VAL 21 -0.451 8.334 4.110 168 HG11 VAL 21 1HG1 VAL 21 -0.329 9.444 1.321 169 HG12 VAL 21 2HG1 VAL 21 0.253 10.201 2.809 170 HG13 VAL 21 3HG1 VAL 21 -1.472 9.944 2.569 171 HG21 VAL 21 3HG2 VAL 21 -1.436 7.046 1.566 172 HG22 VAL 21 1HG2 VAL 21 -2.463 7.762 2.810 173 HG23 VAL 21 2HG2 VAL 21 -1.484 6.344 3.181 174 HA PRO 22 HA PRO 22 2.373 5.723 -0.714 175 HB2 PRO 22 2HB PRO 22 1.145 3.285 -0.940 176 HB3 PRO 22 1HB PRO 22 2.686 3.541 -0.119 177 HG2 PRO 22 2HG PRO 22 -0.045 3.253 1.039 178 HG3 PRO 22 1HG PRO 22 1.502 2.636 1.640 179 HD2 PRO 22 2HD PRO 22 0.276 4.824 2.654 180 HD3 PRO 22 1HD PRO 22 2.041 4.629 2.644 181 H GLU 23 H GLU 23 1.604 6.190 -2.566 182 HA GLU 23 HA GLU 23 -0.953 7.246 -3.076 183 HB2 GLU 23 2HB GLU 23 1.278 7.657 -4.261 184 HB3 GLU 23 1HB GLU 23 1.019 6.129 -5.078 185 HG2 GLU 23 2HG GLU 23 0.380 7.910 -6.531 186 HG3 GLU 23 1HG GLU 23 -1.057 7.031 -6.017 187 H LYS 24 H LYS 24 0.640 4.245 -4.005 188 HA LYS 24 HA LYS 24 -1.812 2.802 -3.779 189 HB2 LYS 24 2HB LYS 24 -1.317 1.522 -5.898 190 HB3 LYS 24 1HB LYS 24 -1.897 3.162 -6.130 191 HG2 LYS 24 2HG LYS 24 0.135 3.906 -6.928 192 HG3 LYS 24 1HG LYS 24 1.031 2.633 -6.111 193 HD2 LYS 24 2HD LYS 24 0.394 1.013 -7.661 194 HD3 LYS 24 1HD LYS 24 -0.905 2.013 -8.338 195 HE2 LYS 24 2HE LYS 24 2.044 2.611 -8.513 196 HE3 LYS 24 1HE LYS 24 1.127 1.762 -9.756 197 HZ1 LYS 24 3HZ LYS 24 0.597 4.571 -8.865 198 HZ2 LYS 24 1HZ LYS 24 -0.271 3.711 -10.006 199 HZ3 LYS 24 2HZ LYS 24 1.314 4.094 -10.311 200 H VAL 25 H VAL 25 -1.407 0.515 -3.477 201 HA VAL 25 HA VAL 25 1.393 -0.131 -2.855 202 HB VAL 25 HB VAL 25 0.663 -1.543 -0.979 203 HG11 VAL 25 1HG1 VAL 25 1.308 0.717 -0.473 204 HG12 VAL 25 2HG1 VAL 25 0.007 0.198 0.603 205 HG13 VAL 25 3HG1 VAL 25 -0.341 1.271 -0.750 206 HG21 VAL 25 3HG2 VAL 25 -2.107 -0.472 -1.531 207 HG22 VAL 25 1HG2 VAL 25 -1.647 -1.408 -0.108 208 HG23 VAL 25 2HG2 VAL 25 -1.572 -2.139 -1.710 209 H TRP 26 H TRP 26 2.030 -2.272 -3.165 210 HA TRP 26 HA TRP 26 0.173 -4.206 -4.088 211 HB2 TRP 26 2HB TRP 26 1.316 -4.658 -6.235 212 HB3 TRP 26 1HB TRP 26 0.573 -3.072 -6.205 213 HD1 TRP 26 HD TRP 26 3.769 -4.820 -6.905 214 HE1 TRP 26 1HE TRP 26 5.598 -3.134 -7.515 215 HE3 TRP 26 3HE TRP 26 1.428 -0.540 -5.456 216 HZ2 TRP 26 2HZ TRP 26 5.990 -0.319 -7.396 217 HZ3 TRP 26 3HZ TRP 26 2.603 1.601 -5.729 218 HH2 TRP 26 HH TRP 26 4.815 1.711 -6.668 219 H ALA 27 H ALA 27 1.446 -6.302 -4.599 220 HA ALA 27 HA ALA 27 3.831 -6.415 -2.936 221 HB1 ALA 27 1HB ALA 27 1.946 -6.932 -1.454 222 HB2 ALA 27 2HB ALA 27 2.991 -8.332 -1.694 223 HB3 ALA 27 3HB ALA 27 1.451 -8.227 -2.545 224 H LEU 28 H LEU 28 5.264 -7.860 -3.577 225 HA LEU 28 HA LEU 28 4.536 -9.589 -5.820 226 HB2 LEU 28 2HB LEU 28 7.210 -8.372 -5.123 227 HB3 LEU 28 1HB LEU 28 7.027 -9.576 -6.358 228 HG LEU 28 HG LEU 28 5.457 -7.856 -7.505 229 HD11 LEU 28 1HD1 LEU 28 5.913 -5.518 -6.982 230 HD12 LEU 28 2HD1 LEU 28 6.881 -6.024 -5.598 231 HD13 LEU 28 3HD1 LEU 28 5.153 -6.361 -5.631 232 HD21 LEU 28 3HD2 LEU 28 7.345 -6.708 -8.539 233 HD22 LEU 28 1HD2 LEU 28 7.650 -8.434 -8.361 234 HD23 LEU 28 2HD2 LEU 28 8.403 -7.288 -7.249 235 H ALA 29 H ALA 29 3.952 -11.355 -4.698 236 HA ALA 29 HA ALA 29 6.015 -12.473 -2.957 237 HB1 ALA 29 1HB ALA 29 3.958 -11.826 -1.734 238 HB2 ALA 29 2HB ALA 29 4.360 -13.540 -1.632 239 HB3 ALA 29 3HB ALA 29 3.070 -13.006 -2.711 240 HA PRO 30 HA PRO 30 5.668 -15.714 -6.061 241 HB2 PRO 30 2HB PRO 30 8.514 -16.016 -5.867 242 HB3 PRO 30 1HB PRO 30 7.601 -15.400 -7.239 243 HG2 PRO 30 2HG PRO 30 9.317 -13.877 -5.700 244 HG3 PRO 30 1HG PRO 30 8.000 -13.229 -6.691 245 HD2 PRO 30 2HD PRO 30 8.086 -13.744 -3.752 246 HD3 PRO 30 1HD PRO 30 7.333 -12.406 -4.646 247 H LYS 31 H LYS 31 6.683 -17.948 -5.764 248 HA LYS 31 HA LYS 31 6.162 -18.742 -3.104 249 HB2 LYS 31 2HB LYS 31 7.202 -20.302 -5.465 250 HB3 LYS 31 1HB LYS 31 6.732 -21.023 -3.928 251 HG2 LYS 31 2HG LYS 31 4.467 -20.288 -4.201 252 HG3 LYS 31 1HG LYS 31 4.896 -19.381 -5.651 253 HD2 LYS 31 2HD LYS 31 5.425 -21.449 -6.795 254 HD3 LYS 31 1HD LYS 31 5.083 -22.369 -5.325 255 HE2 LYS 31 2HE LYS 31 2.765 -21.641 -5.377 256 HE3 LYS 31 1HE LYS 31 3.091 -20.640 -6.787 257 HZ1 LYS 31 3HZ LYS 31 3.279 -23.606 -6.705 258 HZ2 LYS 31 1HZ LYS 31 3.556 -22.640 -8.057 259 HZ3 LYS 31 2HZ LYS 31 2.023 -22.717 -7.389 260 H GLY 32 H GLY 32 7.502 -19.389 -1.520 261 HA2 GLY 32 2HA GLY 32 9.503 -19.905 -0.444 262 HA3 GLY 32 1HA GLY 32 10.353 -19.653 -1.964 263 H ARG 33 H ARG 33 8.130 -17.320 -0.575 264 HA ARG 33 HA ARG 33 10.222 -15.685 0.559 265 HB2 ARG 33 2HB ARG 33 10.132 -15.228 -1.979 266 HB3 ARG 33 1HB ARG 33 8.520 -14.601 -1.690 267 HG2 ARG 33 2HG ARG 33 9.474 -12.976 -0.116 268 HG3 ARG 33 1HG ARG 33 11.092 -13.532 -0.544 269 HD2 ARG 33 2HD ARG 33 9.060 -12.214 -2.350 270 HD3 ARG 33 1HD ARG 33 10.589 -11.543 -1.796 271 HE ARG 33 HE ARG 33 10.750 -13.996 -3.334 272 HH11 ARG 33 1HH1 ARG 33 11.122 -10.435 -3.377 273 HH12 ARG 33 2HH1 ARG 33 11.858 -10.449 -4.909 274 HH21 ARG 33 1HH2 ARG 33 11.759 -13.919 -5.399 275 HH22 ARG 33 2HH2 ARG 33 12.234 -12.419 -6.064 276 H LYS 34 H LYS 34 9.228 -14.017 1.893 277 HA LYS 34 HA LYS 34 6.595 -14.591 2.812 278 HB2 LYS 34 2HB LYS 34 8.329 -13.534 4.268 279 HB3 LYS 34 1HB LYS 34 8.299 -12.115 3.240 280 HG2 LYS 34 2HG LYS 34 7.023 -11.625 5.200 281 HG3 LYS 34 1HG LYS 34 5.911 -11.778 3.842 282 HD2 LYS 34 2HD LYS 34 4.927 -12.901 5.717 283 HD3 LYS 34 1HD LYS 34 5.472 -14.141 4.591 284 HE2 LYS 34 2HE LYS 34 7.522 -14.434 5.948 285 HE3 LYS 34 1HE LYS 34 6.925 -13.221 7.069 286 HZ1 LYS 34 3HZ LYS 34 6.472 -15.433 7.881 287 HZ2 LYS 34 1HZ LYS 34 5.626 -15.826 6.478 288 HZ3 LYS 34 2HZ LYS 34 5.014 -14.664 7.515 289 H GLY 35 H GLY 35 8.040 -12.036 0.885 290 HA2 GLY 35 2HA GLY 35 6.752 -11.592 -1.198 291 HA3 GLY 35 1HA GLY 35 5.371 -11.371 -0.124 292 H VAL 36 H VAL 36 7.598 -9.782 -1.842 293 HA VAL 36 HA VAL 36 8.141 -7.787 0.132 294 HB VAL 36 HB VAL 36 9.379 -6.575 -1.676 295 HG11 VAL 36 1HG1 VAL 36 10.523 -8.116 -0.177 296 HG12 VAL 36 2HG1 VAL 36 11.243 -8.145 -1.782 297 HG13 VAL 36 3HG1 VAL 36 10.176 -9.455 -1.271 298 HG21 VAL 36 3HG2 VAL 36 8.713 -9.017 -3.332 299 HG22 VAL 36 1HG2 VAL 36 9.897 -7.778 -3.772 300 HG23 VAL 36 2HG2 VAL 36 8.192 -7.357 -3.632 301 H LYS 37 H LYS 37 6.955 -6.175 0.526 302 HA LYS 37 HA LYS 37 4.706 -5.615 -1.246 303 HB2 LYS 37 2HB LYS 37 5.297 -4.788 1.604 304 HB3 LYS 37 1HB LYS 37 3.855 -4.313 0.716 305 HG2 LYS 37 2HG LYS 37 3.217 -6.687 0.526 306 HG3 LYS 37 1HG LYS 37 4.664 -7.135 1.425 307 HD2 LYS 37 2HD LYS 37 3.845 -5.936 3.378 308 HD3 LYS 37 1HD LYS 37 2.430 -5.395 2.472 309 HE2 LYS 37 2HE LYS 37 1.842 -7.290 3.878 310 HE3 LYS 37 1HE LYS 37 1.735 -7.739 2.180 311 HZ1 LYS 37 3HZ LYS 37 4.008 -8.758 2.445 312 HZ2 LYS 37 1HZ LYS 37 2.798 -9.488 3.345 313 HZ3 LYS 37 2HZ LYS 37 3.848 -8.483 4.123 314 H ILE 38 H ILE 38 4.549 -3.641 -2.257 315 HA ILE 38 HA ILE 38 6.678 -1.727 -1.679 316 HB ILE 38 HB ILE 38 5.914 -2.606 -4.501 317 HG12 ILE 38 2HG1 ILE 38 8.510 -3.011 -2.992 318 HG13 ILE 38 1HG1 ILE 38 7.341 -4.279 -3.296 319 HG21 ILE 38 1HG2 ILE 38 8.007 -0.627 -3.577 320 HG22 ILE 38 2HG2 ILE 38 6.491 -0.229 -4.382 321 HG23 ILE 38 3HG2 ILE 38 7.737 -1.138 -5.246 322 HD11 ILE 38 3HD1 ILE 38 9.201 -4.439 -4.823 323 HD12 ILE 38 1HD1 ILE 38 8.944 -2.777 -5.353 324 HD13 ILE 38 2HD1 ILE 38 7.739 -4.008 -5.717 325 H GLY 39 H GLY 39 6.091 0.340 -1.840 326 HA2 GLY 39 2HA GLY 39 3.379 0.889 -2.801 327 HA3 GLY 39 1HA GLY 39 3.967 1.562 -1.283 328 H LEU 40 H LEU 40 3.105 2.857 -3.706 329 HA LEU 40 HA LEU 40 5.575 4.145 -4.578 330 HB2 LEU 40 2HB LEU 40 4.049 3.515 -6.335 331 HB3 LEU 40 1HB LEU 40 2.727 4.365 -5.581 332 HG LEU 40 HG LEU 40 3.945 6.495 -5.994 333 HD11 LEU 40 1HD1 LEU 40 6.214 5.652 -6.088 334 HD12 LEU 40 2HD1 LEU 40 5.807 6.472 -7.596 335 HD13 LEU 40 3HD1 LEU 40 5.816 4.710 -7.527 336 HD21 LEU 40 3HD2 LEU 40 2.238 5.731 -7.533 337 HD22 LEU 40 1HD2 LEU 40 3.452 4.795 -8.416 338 HD23 LEU 40 2HD2 LEU 40 3.549 6.557 -8.388 339 H PHE 41 H PHE 41 6.173 6.019 -3.765 340 HA PHE 41 HA PHE 41 4.271 7.485 -2.049 341 HB2 PHE 41 2HB PHE 41 7.229 7.070 -1.714 342 HB3 PHE 41 1HB PHE 41 6.233 8.083 -0.699 343 HD1 PHE 41 1HD PHE 41 4.527 7.007 0.739 344 HD2 PHE 41 2HD PHE 41 7.392 4.754 -1.435 345 HE1 PHE 41 1HE PHE 41 4.115 5.083 2.190 346 HE2 PHE 41 2HE PHE 41 6.981 2.826 0.011 347 HZ PHE 41 HZ PHE 41 5.341 2.992 1.826 348 H LYS 42 H LYS 42 5.157 9.723 -1.666 349 HA LYS 42 HA LYS 42 6.791 10.705 -3.852 350 HB2 LYS 42 2HB LYS 42 4.460 11.341 -4.356 351 HB3 LYS 42 1HB LYS 42 4.308 12.040 -2.750 352 HG2 LYS 42 2HG LYS 42 6.049 13.682 -3.298 353 HG3 LYS 42 1HG LYS 42 6.169 12.996 -4.916 354 HD2 LYS 42 2HD LYS 42 3.860 13.585 -5.362 355 HD3 LYS 42 1HD LYS 42 3.685 14.208 -3.720 356 HE2 LYS 42 2HE LYS 42 5.392 15.900 -4.182 357 HE3 LYS 42 1HE LYS 42 5.578 15.268 -5.816 358 HZ1 LYS 42 3HZ LYS 42 3.286 15.871 -6.272 359 HZ2 LYS 42 1HZ LYS 42 4.177 17.211 -5.790 360 HZ3 LYS 42 2HZ LYS 42 3.105 16.496 -4.711 361 H ASP 43 H ASP 43 8.475 11.670 -3.068 362 HA ASP 43 HA ASP 43 8.708 12.072 -0.239 363 HB2 ASP 43 2HB ASP 43 10.628 11.245 -1.515 364 HB3 ASP 43 1HB ASP 43 10.611 12.693 -2.513 365 HA PRO 44 HA PRO 44 7.115 16.218 -0.825 366 HB2 PRO 44 2HB PRO 44 7.566 16.846 1.911 367 HB3 PRO 44 1HB PRO 44 6.044 16.402 1.149 368 HG2 PRO 44 2HG PRO 44 7.339 14.815 3.005 369 HG3 PRO 44 1HG PRO 44 6.214 14.225 1.770 370 HD2 PRO 44 2HD PRO 44 9.190 14.170 1.781 371 HD3 PRO 44 1HD PRO 44 8.010 12.951 1.242 372 H GLU 45 H GLU 45 10.252 15.527 0.076 373 HA GLU 45 HA GLU 45 10.909 18.349 0.349 374 HB2 GLU 45 2HB GLU 45 12.553 15.907 0.980 375 HB3 GLU 45 1HB GLU 45 13.123 17.567 1.158 376 HG2 GLU 45 2HG GLU 45 11.287 18.025 2.726 377 HG3 GLU 45 1HG GLU 45 10.757 16.358 2.562 378 H THR 46 H THR 46 11.776 15.580 -1.570 379 HA THR 46 HA THR 46 13.253 17.285 -3.395 380 HB THR 46 HB THR 46 13.551 15.119 -4.691 381 HG1 THR 46 1HG THR 46 12.371 14.008 -2.342 382 HG21 THR 46 3HG2 THR 46 14.393 15.090 -1.783 383 HG22 THR 46 1HG2 THR 46 15.259 15.892 -3.093 384 HG23 THR 46 2HG2 THR 46 15.122 14.134 -3.071 385 H GLY 47 H GLY 47 10.194 15.613 -3.151 386 HA2 GLY 47 2HA GLY 47 8.220 16.211 -4.149 387 HA3 GLY 47 1HA GLY 47 9.127 17.257 -5.234 388 H LYS 48 H LYS 48 9.944 13.900 -4.735 389 HA LYS 48 HA LYS 48 9.025 13.386 -7.481 390 HB2 LYS 48 2HB LYS 48 10.935 11.871 -7.757 391 HB3 LYS 48 1HB LYS 48 11.454 13.513 -7.413 392 HG2 LYS 48 2HG LYS 48 11.749 12.807 -5.013 393 HG3 LYS 48 1HG LYS 48 11.462 11.148 -5.541 394 HD2 LYS 48 2HD LYS 48 13.647 12.948 -6.585 395 HD3 LYS 48 1HD LYS 48 13.873 11.728 -5.338 396 HE2 LYS 48 2HE LYS 48 13.335 9.970 -6.904 397 HE3 LYS 48 1HE LYS 48 12.921 11.147 -8.153 398 HZ1 LYS 48 3HZ LYS 48 15.224 11.913 -8.100 399 HZ2 LYS 48 1HZ LYS 48 15.164 10.273 -8.502 400 HZ3 LYS 48 2HZ LYS 48 15.615 10.767 -6.955 401 H TYR 49 H TYR 49 8.045 11.476 -7.939 402 HA TYR 49 HA TYR 49 6.955 9.938 -5.764 403 HB2 TYR 49 2HB TYR 49 6.584 10.035 -8.721 404 HB3 TYR 49 1HB TYR 49 6.189 8.543 -7.887 405 HD1 TYR 49 1HD TYR 49 5.328 12.134 -8.173 406 HD2 TYR 49 2HD TYR 49 4.255 8.345 -6.613 407 HE1 TYR 49 1HE TYR 49 3.084 12.992 -7.631 408 HE2 TYR 49 2HE TYR 49 2.027 9.179 -6.054 409 HH TYR 49 HH TYR 49 0.839 11.102 -5.723 410 H PHE 50 H PHE 50 7.838 8.141 -4.966 411 HA PHE 50 HA PHE 50 9.683 6.664 -6.686 412 HB2 PHE 50 2HB PHE 50 11.350 6.452 -4.941 413 HB3 PHE 50 1HB PHE 50 11.018 8.159 -5.169 414 HD1 PHE 50 1HD PHE 50 9.397 9.270 -3.470 415 HD2 PHE 50 2HD PHE 50 11.238 5.478 -2.833 416 HE1 PHE 50 1HE PHE 50 8.984 9.474 -1.051 417 HE2 PHE 50 2HE PHE 50 10.822 5.685 -0.408 418 HZ PHE 50 HZ PHE 50 9.701 7.664 0.479 419 H ARG 51 H ARG 51 9.460 4.444 -6.477 420 HA ARG 51 HA ARG 51 7.537 3.561 -4.533 421 HB2 ARG 51 2HB ARG 51 7.628 1.449 -5.701 422 HB3 ARG 51 1HB ARG 51 7.309 2.745 -6.838 423 HG2 ARG 51 2HG ARG 51 9.696 2.653 -7.517 424 HG3 ARG 51 1HG ARG 51 9.909 1.294 -6.408 425 HD2 ARG 51 2HD ARG 51 8.256 0.011 -7.629 426 HD3 ARG 51 1HD ARG 51 7.968 1.382 -8.696 427 HE ARG 51 HE ARG 51 10.581 0.082 -8.518 428 HH11 ARG 51 1HH1 ARG 51 7.870 1.287 -10.470 429 HH12 ARG 51 2HH1 ARG 51 8.482 0.785 -11.960 430 HH21 ARG 51 1HH2 ARG 51 11.451 -0.661 -10.582 431 HH22 ARG 51 2HH2 ARG 51 10.643 -0.335 -12.032 432 H HIS 52 H HIS 52 8.027 2.234 -2.884 433 HA HIS 52 HA HIS 52 10.806 1.434 -2.500 434 HB2 HIS 52 2HB HIS 52 10.439 3.736 -1.485 435 HB3 HIS 52 1HB HIS 52 9.247 3.001 -0.425 436 HD1 HIS 52 1HD HIS 52 10.286 1.134 1.322 437 HD2 HIS 52 2HD HIS 52 13.011 3.633 -0.588 438 HE1 HIS 52 1HE HIS 52 12.324 1.079 2.713 439 HE2 HIS 52 2HE HIS 52 14.045 2.216 1.276 440 H LYS 53 H LYS 53 10.907 -0.369 -1.103 441 HA LYS 53 HA LYS 53 8.478 -1.783 -0.962 442 HB2 LYS 53 2HB LYS 53 9.761 -3.636 0.063 443 HB3 LYS 53 1HB LYS 53 10.518 -3.026 -1.378 444 HG2 LYS 53 2HG LYS 53 12.295 -3.440 0.076 445 HG3 LYS 53 1HG LYS 53 12.060 -1.699 0.155 446 HD2 LYS 53 2HD LYS 53 12.438 -2.541 2.406 447 HD3 LYS 53 1HD LYS 53 10.756 -2.028 2.243 448 HE2 LYS 53 2HE LYS 53 10.914 -4.114 3.482 449 HE3 LYS 53 1HE LYS 53 10.046 -4.328 1.970 450 HZ1 LYS 53 3HZ LYS 53 12.073 -5.294 1.022 451 HZ2 LYS 53 1HZ LYS 53 11.569 -6.139 2.394 452 HZ3 LYS 53 2HZ LYS 53 12.861 -5.080 2.501 453 H LEU 54 H LEU 54 7.377 -2.486 0.760 454 HA LEU 54 HA LEU 54 7.362 -0.659 3.061 455 HB2 LEU 54 2HB LEU 54 5.285 -2.728 2.494 456 HB3 LEU 54 1HB LEU 54 5.138 -1.246 3.345 457 HG LEU 54 HG LEU 54 5.430 -1.323 0.353 458 HD11 LEU 54 1HD1 LEU 54 3.334 -2.350 1.072 459 HD12 LEU 54 2HD1 LEU 54 3.047 -0.778 0.322 460 HD13 LEU 54 3HD1 LEU 54 2.987 -0.950 2.077 461 HD21 LEU 54 3HD2 LEU 54 6.209 0.708 1.400 462 HD22 LEU 54 1HD2 LEU 54 4.682 0.835 2.283 463 HD23 LEU 54 2HD2 LEU 54 4.691 0.964 0.523 464 HA PRO 55 HA PRO 55 8.506 -4.175 5.622 465 HB2 PRO 55 2HB PRO 55 6.146 -3.725 7.355 466 HB3 PRO 55 1HB PRO 55 7.852 -3.632 7.790 467 HG2 PRO 55 2HG PRO 55 6.396 -1.412 7.624 468 HG3 PRO 55 1HG PRO 55 8.062 -1.434 7.014 469 HD2 PRO 55 2HD PRO 55 5.504 -1.763 5.484 470 HD3 PRO 55 1HD PRO 55 6.843 -0.703 5.063 471 H ASP 56 H ASP 56 7.955 -6.408 5.647 472 HA ASP 56 HA ASP 56 5.703 -7.093 4.102 473 HB2 ASP 56 2HB ASP 56 6.391 -9.438 4.532 474 HB3 ASP 56 1HB ASP 56 7.654 -8.459 3.805 475 H ASP 57 H ASP 57 6.219 -6.510 7.310 476 HA ASP 57 HA ASP 57 3.994 -8.087 8.337 477 HB2 ASP 57 2HB ASP 57 6.103 -7.749 9.603 478 HB3 ASP 57 1HB ASP 57 5.770 -6.031 9.668 479 H TYR 58 H TYR 58 4.198 -5.285 6.607 480 HA TYR 58 HA TYR 58 2.437 -3.596 8.118 481 HB2 TYR 58 2HB TYR 58 4.233 -2.659 6.838 482 HB3 TYR 58 1HB TYR 58 3.648 -3.433 5.374 483 HD1 TYR 58 2HD TYR 58 2.726 -0.909 7.944 484 HD2 TYR 58 1HD TYR 58 2.261 -2.247 3.948 485 HE1 TYR 58 2HE TYR 58 1.475 1.150 7.406 486 HE2 TYR 58 1HE TYR 58 1.024 -0.199 3.392 487 HH TYR 58 HH TYR 58 -0.235 1.526 4.471 488 HA PRO 59 HA PRO 59 -1.232 -5.353 6.245 489 HB2 PRO 59 2HB PRO 59 -2.824 -3.244 7.296 490 HB3 PRO 59 1HB PRO 59 -2.687 -4.888 7.904 491 HG2 PRO 59 2HG PRO 59 -1.777 -2.653 9.246 492 HG3 PRO 59 1HG PRO 59 -1.186 -4.302 9.511 493 HD2 PRO 59 2HD PRO 59 0.039 -2.074 7.949 494 HD3 PRO 59 1HD PRO 59 0.797 -3.336 8.937 495 H ILE 60 H ILE 60 -1.187 -5.025 4.097 496 HA ILE 60 HA ILE 60 -1.709 -2.350 3.152 497 HB ILE 60 HB ILE 60 -1.226 -3.232 0.850 498 HG12 ILE 60 2HG1 ILE 60 -0.231 -5.683 2.324 499 HG13 ILE 60 1HG1 ILE 60 -1.678 -5.649 1.311 500 HG21 ILE 60 1HG2 ILE 60 0.914 -3.533 2.931 501 HG22 ILE 60 2HG2 ILE 60 0.441 -2.044 2.114 502 HG23 ILE 60 3HG2 ILE 60 1.202 -3.347 1.202 503 HD11 ILE 60 3HD1 ILE 60 1.141 -5.125 0.394 504 HD12 ILE 60 1HD1 ILE 60 -0.289 -5.120 -0.633 505 HD13 ILE 60 2HD1 ILE 60 0.238 -6.621 0.136 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -9.061 0.281 -3.218 2 H2 MET 1 2HT MET 1 -9.469 -0.716 -4.518 3 H3 MET 1 3HT MET 1 -9.000 -1.374 -3.036 4 HA MET 1 HA MET 1 -11.405 0.272 -3.401 5 HB2 MET 1 2HB MET 1 -11.152 -2.718 -2.918 6 HB3 MET 1 1HB MET 1 -12.654 -1.810 -2.907 7 HG2 MET 1 2HG MET 1 -12.336 -1.268 -5.275 8 HG3 MET 1 1HG MET 1 -10.831 -2.184 -5.266 9 HE1 MET 1 2HE MET 1 -14.262 -3.113 -3.465 10 HE2 MET 1 3HE MET 1 -15.023 -4.048 -4.747 11 HE3 MET 1 1HE MET 1 -14.727 -2.328 -4.978 12 H SER 2 H SER 2 -12.851 -0.228 -1.377 13 HA SER 2 HA SER 2 -13.168 0.091 0.826 14 HB2 SER 2 2HB SER 2 -12.011 -2.169 0.945 15 HB3 SER 2 1HB SER 2 -10.483 -1.329 1.156 16 HG SER 2 HG SER 2 -12.729 -1.310 2.880 17 H SER 3 H SER 3 -11.193 0.729 2.838 18 HA SER 3 HA SER 3 -9.767 3.018 1.745 19 HB2 SER 3 2HB SER 3 -11.945 3.891 2.607 20 HB3 SER 3 1HB SER 3 -11.582 3.186 4.181 21 HG SER 3 HG SER 3 -10.273 5.287 2.829 22 H GLY 4 H GLY 4 -7.731 2.553 2.248 23 HA2 GLY 4 2HA GLY 4 -7.195 1.114 4.726 24 HA3 GLY 4 1HA GLY 4 -6.072 1.336 3.383 25 H LYS 5 H LYS 5 -5.181 3.365 3.025 26 HA LYS 5 HA LYS 5 -3.919 5.082 3.645 27 HB2 LYS 5 2HB LYS 5 -6.399 5.876 5.192 28 HB3 LYS 5 1HB LYS 5 -5.038 6.943 4.883 29 HG2 LYS 5 2HG LYS 5 -6.773 5.683 2.756 30 HG3 LYS 5 1HG LYS 5 -6.931 7.336 3.341 31 HD2 LYS 5 2HD LYS 5 -4.634 7.807 2.563 32 HD3 LYS 5 1HD LYS 5 -4.507 6.153 1.965 33 HE2 LYS 5 2HE LYS 5 -6.401 6.586 0.440 34 HE3 LYS 5 1HE LYS 5 -6.465 8.249 1.022 35 HZ1 LYS 5 3HZ LYS 5 -5.236 8.061 -1.069 36 HZ2 LYS 5 1HZ LYS 5 -4.139 7.008 -0.348 37 HZ3 LYS 5 2HZ LYS 5 -4.228 8.601 0.167 38 H LYS 6 H LYS 6 -2.568 3.594 4.665 39 HA LYS 6 HA LYS 6 -2.442 3.934 7.582 40 HB2 LYS 6 2HB LYS 6 -1.414 1.580 5.991 41 HB3 LYS 6 1HB LYS 6 -1.561 1.700 7.738 42 HG2 LYS 6 2HG LYS 6 -3.966 1.675 7.586 43 HG3 LYS 6 1HG LYS 6 -3.886 1.715 5.829 44 HD2 LYS 6 2HD LYS 6 -2.697 -0.466 5.892 45 HD3 LYS 6 1HD LYS 6 -2.952 -0.515 7.634 46 HE2 LYS 6 2HE LYS 6 -5.385 -0.385 7.266 47 HE3 LYS 6 1HE LYS 6 -5.106 -0.370 5.528 48 HZ1 LYS 6 3HZ LYS 6 -4.485 -2.578 7.401 49 HZ2 LYS 6 1HZ LYS 6 -4.040 -2.564 5.762 50 HZ3 LYS 6 2HZ LYS 6 -5.657 -2.555 6.191 51 HA PRO 7 HA PRO 7 1.319 5.839 5.866 52 HB2 PRO 7 2HB PRO 7 1.844 7.402 8.013 53 HB3 PRO 7 1HB PRO 7 0.696 7.857 6.752 54 HG2 PRO 7 2HG PRO 7 0.200 6.755 9.471 55 HG3 PRO 7 1HG PRO 7 -0.724 7.954 8.552 56 HD2 PRO 7 2HD PRO 7 -1.454 5.325 8.807 57 HD3 PRO 7 1HD PRO 7 -1.940 6.361 7.454 58 H VAL 8 H VAL 8 3.362 5.268 6.042 59 HA VAL 8 HA VAL 8 4.234 3.856 8.456 60 HB VAL 8 HB VAL 8 3.743 2.248 6.549 61 HG11 VAL 8 1HG1 VAL 8 5.915 3.688 5.105 62 HG12 VAL 8 2HG1 VAL 8 4.206 3.619 4.674 63 HG13 VAL 8 3HG1 VAL 8 5.188 2.155 4.620 64 HG21 VAL 8 3HG2 VAL 8 5.400 1.637 8.245 65 HG22 VAL 8 1HG2 VAL 8 6.656 2.443 7.307 66 HG23 VAL 8 2HG2 VAL 8 5.855 1.010 6.660 67 H LYS 9 H LYS 9 6.351 4.353 9.108 68 HA LYS 9 HA LYS 9 7.556 6.650 7.924 69 HB2 LYS 9 2HB LYS 9 8.273 4.808 10.170 70 HB3 LYS 9 1HB LYS 9 9.478 5.925 9.547 71 HG2 LYS 9 2HG LYS 9 8.093 7.809 10.123 72 HG3 LYS 9 1HG LYS 9 6.774 6.736 10.593 73 HD2 LYS 9 2HD LYS 9 9.469 6.599 11.908 74 HD3 LYS 9 1HD LYS 9 8.244 7.745 12.447 75 HE2 LYS 9 2HE LYS 9 7.808 4.764 12.254 76 HE3 LYS 9 1HE LYS 9 8.282 5.601 13.729 77 HZ1 LYS 9 3HZ LYS 9 5.755 6.137 12.215 78 HZ2 LYS 9 1HZ LYS 9 6.256 6.880 13.633 79 HZ3 LYS 9 2HZ LYS 9 5.883 5.245 13.629 80 H VAL 10 H VAL 10 8.507 6.522 6.096 81 HA VAL 10 HA VAL 10 9.890 4.059 5.415 82 HB VAL 10 HB VAL 10 7.815 4.222 4.211 83 HG11 VAL 10 1HG1 VAL 10 8.785 6.881 3.177 84 HG12 VAL 10 2HG1 VAL 10 7.423 6.609 4.261 85 HG13 VAL 10 3HG1 VAL 10 7.355 6.033 2.593 86 HG21 VAL 10 3HG2 VAL 10 8.612 4.116 1.889 87 HG22 VAL 10 1HG2 VAL 10 9.636 3.217 3.007 88 HG23 VAL 10 2HG2 VAL 10 10.155 4.794 2.416 89 H LYS 11 H LYS 11 11.782 4.221 4.345 90 HA LYS 11 HA LYS 11 13.236 6.655 4.583 91 HB2 LYS 11 2HB LYS 11 13.944 3.940 3.478 92 HB3 LYS 11 1HB LYS 11 15.056 5.301 3.424 93 HG2 LYS 11 2HG LYS 11 15.072 5.459 5.815 94 HG3 LYS 11 1HG LYS 11 13.828 4.214 5.950 95 HD2 LYS 11 2HD LYS 11 15.328 2.547 5.151 96 HD3 LYS 11 1HD LYS 11 16.535 3.749 4.703 97 HE2 LYS 11 2HE LYS 11 17.139 2.627 6.797 98 HE3 LYS 11 1HE LYS 11 16.845 4.341 7.043 99 HZ1 LYS 11 3HZ LYS 11 15.867 2.973 8.785 100 HZ2 LYS 11 1HZ LYS 11 14.906 2.167 7.684 101 HZ3 LYS 11 2HZ LYS 11 14.666 3.807 8.013 102 H THR 12 H THR 12 13.149 8.163 3.297 103 HA THR 12 HA THR 12 12.024 7.964 0.643 104 HB THR 12 HB THR 12 12.212 10.477 0.691 105 HG1 THR 12 1HG THR 12 13.448 9.861 3.158 106 HG21 THR 12 3HG2 THR 12 10.201 9.429 1.628 107 HG22 THR 12 1HG2 THR 12 10.650 10.867 2.549 108 HG23 THR 12 2HG2 THR 12 11.013 9.265 3.189 109 HA PRO 13 HA PRO 13 15.652 7.693 -1.808 110 HB2 PRO 13 2HB PRO 13 15.160 10.261 -3.200 111 HB3 PRO 13 1HB PRO 13 15.270 8.617 -3.845 112 HG2 PRO 13 2HG PRO 13 12.925 9.856 -3.663 113 HG3 PRO 13 1HG PRO 13 13.085 8.121 -3.333 114 HD2 PRO 13 2HD PRO 13 12.829 10.392 -1.411 115 HD3 PRO 13 1HD PRO 13 12.088 8.775 -1.381 116 H ALA 14 H ALA 14 15.363 10.629 -0.073 117 HA ALA 14 HA ALA 14 18.020 11.579 -0.719 118 HB1 ALA 14 1HB ALA 14 16.087 12.582 1.349 119 HB2 ALA 14 2HB ALA 14 16.192 13.160 -0.315 120 HB3 ALA 14 3HB ALA 14 17.540 13.413 0.796 121 H GLY 15 H GLY 15 16.875 9.216 1.304 122 HA2 GLY 15 2HA GLY 15 18.150 7.911 2.762 123 HA3 GLY 15 1HA GLY 15 19.385 9.160 2.752 124 H LYS 16 H LYS 16 16.009 9.594 3.419 125 HA LYS 16 HA LYS 16 16.532 9.940 6.255 126 HB2 LYS 16 2HB LYS 16 15.233 12.060 6.282 127 HB3 LYS 16 1HB LYS 16 16.712 12.215 5.338 128 HG2 LYS 16 2HG LYS 16 15.480 11.895 3.317 129 HG3 LYS 16 1HG LYS 16 14.002 11.666 4.223 130 HD2 LYS 16 2HD LYS 16 14.081 13.932 5.028 131 HD3 LYS 16 1HD LYS 16 15.630 14.196 4.193 132 HE2 LYS 16 2HE LYS 16 13.755 15.087 2.892 133 HE3 LYS 16 1HE LYS 16 14.583 13.738 2.088 134 HZ1 LYS 16 3HZ LYS 16 12.185 13.423 1.874 135 HZ2 LYS 16 1HZ LYS 16 11.997 13.550 3.547 136 HZ3 LYS 16 2HZ LYS 16 12.825 12.259 2.830 137 H GLU 17 H GLU 17 14.340 10.119 7.357 138 HA GLU 17 HA GLU 17 12.473 8.368 5.899 139 HB2 GLU 17 2HB GLU 17 12.887 8.520 8.881 140 HB3 GLU 17 1HB GLU 17 11.753 7.471 8.051 141 HG2 GLU 17 2HG GLU 17 13.584 6.329 6.950 142 HG3 GLU 17 1HG GLU 17 14.744 7.374 7.779 143 H ALA 18 H ALA 18 10.304 8.711 6.047 144 HA ALA 18 HA ALA 18 9.269 10.922 7.585 145 HB1 ALA 18 1HB ALA 18 9.874 11.982 5.447 146 HB2 ALA 18 2HB ALA 18 8.122 11.867 5.602 147 HB3 ALA 18 3HB ALA 18 8.994 10.729 4.572 148 H GLU 19 H GLU 19 7.046 10.584 7.979 149 HA GLU 19 HA GLU 19 6.240 7.877 7.343 150 HB2 GLU 19 2HB GLU 19 6.165 8.662 9.713 151 HB3 GLU 19 1HB GLU 19 4.941 9.829 9.239 152 HG2 GLU 19 2HG GLU 19 3.386 8.201 8.776 153 HG3 GLU 19 1HG GLU 19 4.580 6.902 8.764 154 H LEU 20 H LEU 20 5.292 7.584 5.612 155 HA LEU 20 HA LEU 20 3.490 9.645 4.555 156 HB2 LEU 20 2HB LEU 20 5.401 7.847 3.092 157 HB3 LEU 20 1HB LEU 20 4.263 8.938 2.322 158 HG LEU 20 HG LEU 20 6.555 9.808 4.095 159 HD11 LEU 20 1HD1 LEU 20 7.637 10.508 2.026 160 HD12 LEU 20 2HD1 LEU 20 6.302 9.838 1.090 161 HD13 LEU 20 3HD1 LEU 20 7.346 8.769 2.026 162 HD21 LEU 20 3HD2 LEU 20 4.651 11.370 4.027 163 HD22 LEU 20 1HD2 LEU 20 4.742 11.369 2.265 164 HD23 LEU 20 2HD2 LEU 20 6.076 12.021 3.223 165 H VAL 21 H VAL 21 1.629 8.897 3.657 166 HA VAL 21 HA VAL 21 1.075 6.073 3.925 167 HB VAL 21 HB VAL 21 -0.627 7.613 4.780 168 HG11 VAL 21 1HG1 VAL 21 -0.246 9.545 3.432 169 HG12 VAL 21 2HG1 VAL 21 -1.938 9.065 3.322 170 HG13 VAL 21 3HG1 VAL 21 -0.828 8.705 1.992 171 HG21 VAL 21 3HG2 VAL 21 -1.461 5.519 3.933 172 HG22 VAL 21 1HG2 VAL 21 -1.560 6.183 2.300 173 HG23 VAL 21 2HG2 VAL 21 -2.612 6.806 3.568 174 HA PRO 22 HA PRO 22 2.306 5.410 -0.225 175 HB2 PRO 22 2HB PRO 22 1.049 2.999 -0.632 176 HB3 PRO 22 1HB PRO 22 2.593 3.198 0.200 177 HG2 PRO 22 2HG PRO 22 -0.139 2.841 1.345 178 HG3 PRO 22 1HG PRO 22 1.412 2.188 1.906 179 HD2 PRO 22 2HD PRO 22 0.206 4.297 3.077 180 HD3 PRO 22 1HD PRO 22 1.971 4.122 3.011 181 H GLU 23 H GLU 23 1.628 5.691 -2.222 182 HA GLU 23 HA GLU 23 -0.988 6.759 -2.748 183 HB2 GLU 23 2HB GLU 23 1.399 6.180 -4.498 184 HB3 GLU 23 1HB GLU 23 -0.020 7.081 -4.999 185 HG2 GLU 23 2HG GLU 23 1.774 7.879 -2.734 186 HG3 GLU 23 1HG GLU 23 1.947 8.491 -4.374 187 H LYS 24 H LYS 24 0.947 4.004 -3.626 188 HA LYS 24 HA LYS 24 -1.403 2.480 -4.386 189 HB2 LYS 24 2HB LYS 24 -0.553 3.465 -6.488 190 HB3 LYS 24 1HB LYS 24 1.051 2.849 -6.128 191 HG2 LYS 24 2HG LYS 24 0.099 0.545 -6.216 192 HG3 LYS 24 1HG LYS 24 -1.412 1.248 -6.790 193 HD2 LYS 24 2HD LYS 24 -0.258 2.191 -8.711 194 HD3 LYS 24 1HD LYS 24 1.274 1.542 -8.117 195 HE2 LYS 24 2HE LYS 24 0.301 -0.739 -8.292 196 HE3 LYS 24 1HE LYS 24 -1.139 -0.022 -9.023 197 HZ1 LYS 24 3HZ LYS 24 0.312 0.856 -10.798 198 HZ2 LYS 24 1HZ LYS 24 0.372 -0.828 -10.735 199 HZ3 LYS 24 2HZ LYS 24 1.618 0.072 -10.094 200 H VAL 25 H VAL 25 -1.088 0.327 -3.831 201 HA VAL 25 HA VAL 25 1.599 -0.428 -2.942 202 HB VAL 25 HB VAL 25 0.585 -1.869 -1.193 203 HG11 VAL 25 1HG1 VAL 25 -0.026 -0.107 0.386 204 HG12 VAL 25 2HG1 VAL 25 -0.197 1.022 -0.953 205 HG13 VAL 25 3HG1 VAL 25 1.387 0.341 -0.576 206 HG21 VAL 25 3HG2 VAL 25 -1.626 -2.200 -2.159 207 HG22 VAL 25 1HG2 VAL 25 -1.996 -0.491 -1.922 208 HG23 VAL 25 2HG2 VAL 25 -1.756 -1.536 -0.528 209 H TRP 26 H TRP 26 2.304 -2.411 -3.568 210 HA TRP 26 HA TRP 26 0.420 -4.281 -4.667 211 HB2 TRP 26 2HB TRP 26 1.733 -4.615 -6.742 212 HB3 TRP 26 1HB TRP 26 1.022 -3.016 -6.661 213 HD1 TRP 26 HD TRP 26 4.284 -4.782 -7.131 214 HE1 TRP 26 1HE TRP 26 6.168 -3.062 -7.456 215 HE3 TRP 26 3HE TRP 26 1.808 -0.596 -5.709 216 HZ2 TRP 26 2HZ TRP 26 6.551 -0.280 -7.137 217 HZ3 TRP 26 3HZ TRP 26 2.980 1.564 -5.748 218 HH2 TRP 26 HH TRP 26 5.289 1.723 -6.431 219 H ALA 27 H ALA 27 1.388 -6.391 -4.958 220 HA ALA 27 HA ALA 27 3.784 -6.708 -3.326 221 HB1 ALA 27 1HB ALA 27 1.314 -8.437 -3.197 222 HB2 ALA 27 2HB ALA 27 1.821 -7.267 -1.977 223 HB3 ALA 27 3HB ALA 27 2.813 -8.689 -2.303 224 H LEU 28 H LEU 28 5.266 -7.758 -4.302 225 HA LEU 28 HA LEU 28 4.762 -9.113 -6.789 226 HB2 LEU 28 2HB LEU 28 7.298 -8.776 -5.172 227 HB3 LEU 28 1HB LEU 28 7.232 -9.698 -6.647 228 HG LEU 28 HG LEU 28 6.693 -7.632 -7.905 229 HD11 LEU 28 1HD1 LEU 28 5.577 -6.373 -6.135 230 HD12 LEU 28 2HD1 LEU 28 6.897 -5.456 -6.869 231 HD13 LEU 28 3HD1 LEU 28 7.116 -6.207 -5.288 232 HD21 LEU 28 3HD2 LEU 28 8.993 -8.352 -7.682 233 HD22 LEU 28 1HD2 LEU 28 9.140 -7.457 -6.171 234 HD23 LEU 28 2HD2 LEU 28 8.888 -6.591 -7.681 235 H ALA 29 H ALA 29 3.453 -10.740 -6.232 236 HA ALA 29 HA ALA 29 4.620 -12.852 -4.559 237 HB1 ALA 29 1HB ALA 29 2.341 -13.559 -4.051 238 HB2 ALA 29 2HB ALA 29 1.703 -12.271 -5.070 239 HB3 ALA 29 3HB ALA 29 2.575 -11.872 -3.592 240 HA PRO 30 HA PRO 30 4.573 -15.075 -8.532 241 HB2 PRO 30 2HB PRO 30 5.337 -17.253 -6.629 242 HB3 PRO 30 1HB PRO 30 6.109 -16.790 -8.150 243 HG2 PRO 30 2HG PRO 30 7.263 -16.198 -5.834 244 HG3 PRO 30 1HG PRO 30 7.290 -15.044 -7.177 245 HD2 PRO 30 2HD PRO 30 5.597 -15.037 -4.713 246 HD3 PRO 30 1HD PRO 30 6.359 -13.679 -5.570 247 H LYS 31 H LYS 31 3.677 -16.467 -5.434 248 HA LYS 31 HA LYS 31 0.955 -16.366 -5.671 249 HB2 LYS 31 2HB LYS 31 1.230 -18.146 -7.422 250 HB3 LYS 31 1HB LYS 31 1.999 -19.169 -6.220 251 HG2 LYS 31 2HG LYS 31 -0.279 -19.863 -6.476 252 HG3 LYS 31 1HG LYS 31 -0.075 -19.116 -4.893 253 HD2 LYS 31 2HD LYS 31 -1.073 -17.045 -5.702 254 HD3 LYS 31 1HD LYS 31 -1.217 -17.725 -7.323 255 HE2 LYS 31 2HE LYS 31 -3.363 -17.815 -6.188 256 HE3 LYS 31 1HE LYS 31 -2.752 -19.444 -6.444 257 HZ1 LYS 31 3HZ LYS 31 -3.659 -19.221 -4.231 258 HZ2 LYS 31 1HZ LYS 31 -2.668 -17.910 -3.899 259 HZ3 LYS 31 2HZ LYS 31 -2.001 -19.438 -4.104 260 H GLY 32 H GLY 32 3.309 -18.809 -4.576 261 HA2 GLY 32 2HA GLY 32 2.152 -18.551 -1.896 262 HA3 GLY 32 1HA GLY 32 2.975 -19.972 -2.518 263 H ARG 33 H ARG 33 3.246 -17.078 -0.839 264 HA ARG 33 HA ARG 33 5.749 -17.688 0.263 265 HB2 ARG 33 2HB ARG 33 6.512 -16.749 -1.989 266 HB3 ARG 33 1HB ARG 33 5.696 -15.259 -1.606 267 HG2 ARG 33 2HG ARG 33 8.035 -16.340 -0.002 268 HG3 ARG 33 1HG ARG 33 8.238 -15.269 -1.378 269 HD2 ARG 33 2HD ARG 33 6.710 -13.645 -0.104 270 HD3 ARG 33 1HD ARG 33 6.946 -14.684 1.287 271 HE ARG 33 HE ARG 33 9.265 -13.541 -0.100 272 HH11 ARG 33 1HH1 ARG 33 7.462 -13.933 2.942 273 HH12 ARG 33 2HH1 ARG 33 8.460 -12.864 3.818 274 HH21 ARG 33 1HH2 ARG 33 10.656 -12.052 1.211 275 HH22 ARG 33 2HH2 ARG 33 10.254 -11.839 2.845 276 H LYS 34 H LYS 34 4.328 -14.606 -0.592 277 HA LYS 34 HA LYS 34 2.653 -14.182 1.627 278 HB2 LYS 34 2HB LYS 34 5.365 -12.780 1.735 279 HB3 LYS 34 1HB LYS 34 3.947 -12.176 2.556 280 HG2 LYS 34 2HG LYS 34 5.300 -14.802 3.111 281 HG3 LYS 34 1HG LYS 34 5.505 -13.325 4.057 282 HD2 LYS 34 2HD LYS 34 3.080 -13.370 4.556 283 HD3 LYS 34 1HD LYS 34 2.955 -14.886 3.664 284 HE2 LYS 34 2HE LYS 34 4.566 -15.907 5.224 285 HE3 LYS 34 1HE LYS 34 4.610 -14.401 6.135 286 HZ1 LYS 34 3HZ LYS 34 3.095 -15.922 7.179 287 HZ2 LYS 34 1HZ LYS 34 2.248 -16.137 5.730 288 HZ3 LYS 34 2HZ LYS 34 2.202 -14.650 6.496 289 H GLY 35 H GLY 35 4.999 -12.573 -0.418 290 HA2 GLY 35 2HA GLY 35 4.203 -11.420 -2.402 291 HA3 GLY 35 1HA GLY 35 2.917 -10.765 -1.375 292 H VAL 36 H VAL 36 5.950 -10.200 -2.615 293 HA VAL 36 HA VAL 36 7.044 -8.747 -0.398 294 HB VAL 36 HB VAL 36 7.833 -8.645 -3.337 295 HG11 VAL 36 1HG1 VAL 36 9.959 -7.747 -2.579 296 HG12 VAL 36 2HG1 VAL 36 9.406 -7.838 -0.912 297 HG13 VAL 36 3HG1 VAL 36 8.629 -6.714 -2.032 298 HG21 VAL 36 3HG2 VAL 36 9.631 -10.202 -2.733 299 HG22 VAL 36 1HG2 VAL 36 8.037 -10.901 -2.453 300 HG23 VAL 36 2HG2 VAL 36 8.987 -10.300 -1.095 301 H LYS 37 H LYS 37 6.088 -7.053 0.236 302 HA LYS 37 HA LYS 37 4.221 -5.606 -1.403 303 HB2 LYS 37 2HB LYS 37 5.035 -5.286 1.473 304 HB3 LYS 37 1HB LYS 37 3.696 -4.443 0.705 305 HG2 LYS 37 2HG LYS 37 2.564 -6.546 0.302 306 HG3 LYS 37 1HG LYS 37 3.935 -7.436 0.953 307 HD2 LYS 37 2HD LYS 37 3.570 -6.401 3.138 308 HD3 LYS 37 1HD LYS 37 2.213 -5.494 2.477 309 HE2 LYS 37 2HE LYS 37 1.423 -7.451 3.692 310 HE3 LYS 37 1HE LYS 37 1.046 -7.589 1.978 311 HZ1 LYS 37 3HZ LYS 37 3.006 -9.038 1.746 312 HZ2 LYS 37 1HZ LYS 37 1.847 -9.653 2.807 313 HZ3 LYS 37 2HZ LYS 37 3.230 -8.968 3.447 314 H ILE 38 H ILE 38 4.617 -3.830 -2.452 315 HA ILE 38 HA ILE 38 6.737 -2.037 -1.543 316 HB ILE 38 HB ILE 38 6.195 -2.785 -4.451 317 HG12 ILE 38 2HG1 ILE 38 8.558 -3.412 -2.657 318 HG13 ILE 38 1HG1 ILE 38 7.384 -4.567 -3.259 319 HG21 ILE 38 1HG2 ILE 38 8.277 -0.928 -3.273 320 HG22 ILE 38 2HG2 ILE 38 6.867 -0.437 -4.210 321 HG23 ILE 38 3HG2 ILE 38 8.151 -1.373 -4.975 322 HD11 ILE 38 3HD1 ILE 38 9.392 -3.040 -4.906 323 HD12 ILE 38 1HD1 ILE 38 8.184 -4.167 -5.540 324 HD13 ILE 38 2HD1 ILE 38 9.446 -4.750 -4.457 325 H GLY 39 H GLY 39 6.185 0.082 -1.673 326 HA2 GLY 39 2HA GLY 39 3.543 0.651 -2.793 327 HA3 GLY 39 1HA GLY 39 4.016 1.260 -1.215 328 H LEU 40 H LEU 40 3.288 2.596 -3.656 329 HA LEU 40 HA LEU 40 5.737 4.033 -4.327 330 HB2 LEU 40 2HB LEU 40 4.265 3.350 -6.150 331 HB3 LEU 40 1HB LEU 40 2.927 4.209 -5.458 332 HG LEU 40 HG LEU 40 4.207 6.334 -5.836 333 HD11 LEU 40 1HD1 LEU 40 6.094 6.255 -7.400 334 HD12 LEU 40 2HD1 LEU 40 6.043 4.493 -7.354 335 HD13 LEU 40 3HD1 LEU 40 6.454 5.400 -5.899 336 HD21 LEU 40 3HD2 LEU 40 3.689 4.613 -8.237 337 HD22 LEU 40 1HD2 LEU 40 3.843 6.368 -8.243 338 HD23 LEU 40 2HD2 LEU 40 2.494 5.605 -7.387 339 H PHE 41 H PHE 41 6.161 5.962 -3.475 340 HA PHE 41 HA PHE 41 4.096 7.276 -1.834 341 HB2 PHE 41 2HB PHE 41 7.052 7.012 -1.345 342 HB3 PHE 41 1HB PHE 41 5.978 8.004 -0.403 343 HD1 PHE 41 1HD PHE 41 4.360 6.930 1.124 344 HD2 PHE 41 2HD PHE 41 7.185 4.643 -1.079 345 HE1 PHE 41 1HE PHE 41 4.005 5.035 2.640 346 HE2 PHE 41 2HE PHE 41 6.822 2.734 0.434 347 HZ PHE 41 HZ PHE 41 5.241 2.937 2.299 348 H LYS 42 H LYS 42 4.903 9.579 -1.357 349 HA LYS 42 HA LYS 42 6.365 10.763 -3.590 350 HB2 LYS 42 2HB LYS 42 3.972 11.267 -3.898 351 HB3 LYS 42 1HB LYS 42 3.872 11.828 -2.234 352 HG2 LYS 42 2HG LYS 42 5.475 13.650 -2.809 353 HG3 LYS 42 1HG LYS 42 5.401 13.125 -4.493 354 HD2 LYS 42 2HD LYS 42 3.030 13.573 -4.570 355 HD3 LYS 42 1HD LYS 42 3.013 13.973 -2.855 356 HE2 LYS 42 2HE LYS 42 2.974 16.027 -4.089 357 HE3 LYS 42 1HE LYS 42 4.557 15.864 -3.344 358 HZ1 LYS 42 3HZ LYS 42 3.890 15.391 -6.204 359 HZ2 LYS 42 1HZ LYS 42 5.430 15.134 -5.543 360 HZ3 LYS 42 2HZ LYS 42 4.734 16.661 -5.567 361 H ASP 43 H ASP 43 8.127 11.573 -2.741 362 HA ASP 43 HA ASP 43 8.507 11.930 0.064 363 HB2 ASP 43 2HB ASP 43 10.419 11.390 -1.350 364 HB3 ASP 43 1HB ASP 43 10.167 12.851 -2.301 365 HA PRO 44 HA PRO 44 6.495 15.861 0.156 366 HB2 PRO 44 2HB PRO 44 7.055 16.561 2.716 367 HB3 PRO 44 1HB PRO 44 5.855 15.334 2.297 368 HG2 PRO 44 2HG PRO 44 8.682 14.985 3.208 369 HG3 PRO 44 1HG PRO 44 7.236 14.075 3.683 370 HD2 PRO 44 2HD PRO 44 9.046 13.160 1.863 371 HD3 PRO 44 1HD PRO 44 7.326 12.733 1.808 372 H GLU 45 H GLU 45 9.864 15.460 0.685 373 HA GLU 45 HA GLU 45 10.376 18.274 1.067 374 HB2 GLU 45 2HB GLU 45 11.615 16.174 2.077 375 HB3 GLU 45 1HB GLU 45 12.489 16.194 0.561 376 HG2 GLU 45 2HG GLU 45 12.411 18.433 2.586 377 HG3 GLU 45 1HG GLU 45 13.724 17.292 2.364 378 H THR 46 H THR 46 11.407 15.797 -1.281 379 HA THR 46 HA THR 46 12.206 17.833 -3.165 380 HB THR 46 HB THR 46 12.787 15.861 -4.623 381 HG1 THR 46 1HG THR 46 11.988 14.396 -2.301 382 HG21 THR 46 3HG2 THR 46 14.662 15.081 -3.223 383 HG22 THR 46 1HG2 THR 46 13.910 15.830 -1.817 384 HG23 THR 46 2HG2 THR 46 14.485 16.832 -3.156 385 H GLY 47 H GLY 47 9.522 15.632 -2.704 386 HA2 GLY 47 2HA GLY 47 7.403 16.057 -3.534 387 HA3 GLY 47 1HA GLY 47 8.154 16.998 -4.820 388 H LYS 48 H LYS 48 9.946 14.308 -4.659 389 HA LYS 48 HA LYS 48 8.715 13.372 -7.083 390 HB2 LYS 48 2HB LYS 48 10.655 11.897 -7.319 391 HB3 LYS 48 1HB LYS 48 11.095 13.581 -7.096 392 HG2 LYS 48 2HG LYS 48 11.760 13.161 -4.828 393 HG3 LYS 48 1HG LYS 48 11.143 11.514 -4.901 394 HD2 LYS 48 2HD LYS 48 13.601 11.613 -5.137 395 HD3 LYS 48 1HD LYS 48 12.817 10.921 -6.554 396 HE2 LYS 48 2HE LYS 48 13.023 13.096 -7.705 397 HE3 LYS 48 1HE LYS 48 13.818 13.758 -6.282 398 HZ1 LYS 48 3HZ LYS 48 14.865 11.431 -7.780 399 HZ2 LYS 48 1HZ LYS 48 15.666 12.328 -6.610 400 HZ3 LYS 48 2HZ LYS 48 15.331 13.011 -8.110 401 H TYR 49 H TYR 49 8.215 11.261 -7.577 402 HA TYR 49 HA TYR 49 6.960 9.789 -5.424 403 HB2 TYR 49 2HB TYR 49 6.675 9.889 -8.390 404 HB3 TYR 49 1HB TYR 49 6.267 8.388 -7.570 405 HD1 TYR 49 1HD TYR 49 5.540 12.071 -7.337 406 HD2 TYR 49 2HD TYR 49 4.141 8.094 -6.841 407 HE1 TYR 49 1HE TYR 49 3.291 12.923 -6.790 408 HE2 TYR 49 2HE TYR 49 1.912 8.927 -6.300 409 HH TYR 49 HH TYR 49 0.870 10.913 -5.429 410 H PHE 50 H PHE 50 7.821 8.028 -4.588 411 HA PHE 50 HA PHE 50 9.832 6.627 -6.172 412 HB2 PHE 50 2HB PHE 50 11.295 6.385 -4.254 413 HB3 PHE 50 1HB PHE 50 10.996 8.088 -4.540 414 HD1 PHE 50 2HD PHE 50 9.381 9.315 -2.986 415 HD2 PHE 50 1HD PHE 50 10.797 5.378 -2.197 416 HE1 PHE 50 2HE PHE 50 8.742 9.551 -0.613 417 HE2 PHE 50 1HE PHE 50 10.163 5.614 0.160 418 HZ PHE 50 HZ PHE 50 9.142 7.687 0.958 419 H ARG 51 H ARG 51 9.660 4.411 -6.032 420 HA ARG 51 HA ARG 51 7.591 3.411 -4.300 421 HB2 ARG 51 2HB ARG 51 7.861 1.329 -5.529 422 HB3 ARG 51 1HB ARG 51 7.535 2.655 -6.635 423 HG2 ARG 51 2HG ARG 51 9.890 2.713 -7.250 424 HG3 ARG 51 1HG ARG 51 10.236 1.430 -6.088 425 HD2 ARG 51 2HD ARG 51 8.754 -0.073 -7.356 426 HD3 ARG 51 1HD ARG 51 8.461 1.217 -8.524 427 HE ARG 51 HE ARG 51 11.198 0.859 -8.244 428 HH11 ARG 51 1HH1 ARG 51 8.448 -1.021 -9.570 429 HH12 ARG 51 2HH1 ARG 51 9.373 -1.772 -10.763 430 HH21 ARG 51 1HH2 ARG 51 12.447 -0.234 -9.908 431 HH22 ARG 51 2HH2 ARG 51 11.698 -1.335 -10.951 432 H HIS 52 H HIS 52 8.012 2.079 -2.623 433 HA HIS 52 HA HIS 52 10.782 1.293 -2.147 434 HB2 HIS 52 2HB HIS 52 10.314 3.545 -1.061 435 HB3 HIS 52 1HB HIS 52 9.112 2.728 -0.073 436 HD1 HIS 52 1HD HIS 52 10.048 1.003 1.749 437 HD2 HIS 52 2HD HIS 52 12.946 3.198 -0.277 438 HE1 HIS 52 1HE HIS 52 12.068 0.843 3.137 439 HE2 HIS 52 2HE HIS 52 13.882 1.816 1.714 440 H LYS 53 H LYS 53 10.882 -0.601 -0.965 441 HA LYS 53 HA LYS 53 8.637 -2.245 -0.865 442 HB2 LYS 53 2HB LYS 53 10.980 -3.067 -0.922 443 HB3 LYS 53 1HB LYS 53 11.199 -2.475 0.720 444 HG2 LYS 53 2HG LYS 53 9.419 -3.994 1.473 445 HG3 LYS 53 1HG LYS 53 9.307 -4.634 -0.163 446 HD2 LYS 53 2HD LYS 53 11.630 -5.366 -0.031 447 HD3 LYS 53 1HD LYS 53 11.738 -4.710 1.606 448 HE2 LYS 53 2HE LYS 53 9.841 -6.874 0.709 449 HE3 LYS 53 1HE LYS 53 11.332 -7.136 1.612 450 HZ1 LYS 53 3HZ LYS 53 10.409 -6.009 3.478 451 HZ2 LYS 53 1HZ LYS 53 9.300 -7.143 2.937 452 HZ3 LYS 53 2HZ LYS 53 9.038 -5.506 2.619 453 H LEU 54 H LEU 54 7.323 -2.811 0.766 454 HA LEU 54 HA LEU 54 7.189 -1.014 3.070 455 HB2 LEU 54 2HB LEU 54 5.101 -3.024 2.259 456 HB3 LEU 54 1HB LEU 54 4.937 -1.622 3.228 457 HG LEU 54 HG LEU 54 5.440 -1.426 0.270 458 HD11 LEU 54 1HD1 LEU 54 3.263 -2.449 0.722 459 HD12 LEU 54 2HD1 LEU 54 3.096 -0.810 0.102 460 HD13 LEU 54 3HD1 LEU 54 2.879 -1.130 1.826 461 HD21 LEU 54 3HD2 LEU 54 6.206 0.469 1.553 462 HD22 LEU 54 1HD2 LEU 54 4.633 0.571 2.356 463 HD23 LEU 54 2HD2 LEU 54 4.757 0.874 0.620 464 HA PRO 55 HA PRO 55 8.025 -4.541 5.758 465 HB2 PRO 55 2HB PRO 55 5.454 -4.044 7.173 466 HB3 PRO 55 1HB PRO 55 7.081 -4.006 7.844 467 HG2 PRO 55 2HG PRO 55 5.769 -1.733 7.506 468 HG3 PRO 55 1HG PRO 55 7.487 -1.829 7.053 469 HD2 PRO 55 2HD PRO 55 5.069 -2.123 5.316 470 HD3 PRO 55 1HD PRO 55 6.423 -1.055 5.003 471 H ASP 56 H ASP 56 7.475 -6.728 5.620 472 HA ASP 56 HA ASP 56 5.449 -7.326 3.712 473 HB2 ASP 56 2HB ASP 56 7.148 -9.268 5.297 474 HB3 ASP 56 1HB ASP 56 6.140 -9.682 3.913 475 H ASP 57 H ASP 57 5.519 -6.932 6.946 476 HA ASP 57 HA ASP 57 3.190 -8.573 7.606 477 HB2 ASP 57 2HB ASP 57 3.571 -7.769 9.903 478 HB3 ASP 57 1HB ASP 57 5.039 -8.466 9.225 479 H TYR 58 H TYR 58 3.672 -5.689 6.134 480 HA TYR 58 HA TYR 58 1.753 -4.103 7.551 481 HB2 TYR 58 2HB TYR 58 3.636 -2.991 6.530 482 HB3 TYR 58 1HB TYR 58 3.290 -3.730 4.981 483 HD1 TYR 58 2HD TYR 58 1.832 -1.379 7.476 484 HD2 TYR 58 1HD TYR 58 2.135 -2.542 3.423 485 HE1 TYR 58 2HE TYR 58 0.531 0.629 6.802 486 HE2 TYR 58 1HE TYR 58 0.860 -0.567 2.730 487 HH TYR 58 HH TYR 58 0.178 2.016 4.813 488 HA PRO 59 HA PRO 59 -1.507 -6.127 5.344 489 HB2 PRO 59 2HB PRO 59 -3.575 -4.884 6.556 490 HB3 PRO 59 1HB PRO 59 -2.618 -6.139 7.346 491 HG2 PRO 59 2HG PRO 59 -2.522 -3.190 7.696 492 HG3 PRO 59 1HG PRO 59 -2.286 -4.478 8.890 493 HD2 PRO 59 2HD PRO 59 -0.248 -3.046 7.660 494 HD3 PRO 59 1HD PRO 59 -0.059 -4.625 8.436 495 H ILE 60 H ILE 60 -1.491 -5.497 3.300 496 HA ILE 60 HA ILE 60 -2.310 -2.819 2.645 497 HB ILE 60 HB ILE 60 -1.612 -3.409 0.294 498 HG12 ILE 60 2HG1 ILE 60 -0.374 -5.845 1.606 499 HG13 ILE 60 1HG1 ILE 60 -1.777 -5.902 0.542 500 HG21 ILE 60 1HG2 ILE 60 0.806 -3.288 0.824 501 HG22 ILE 60 2HG2 ILE 60 0.396 -3.634 2.514 502 HG23 ILE 60 3HG2 ILE 60 -0.182 -2.159 1.754 503 HD11 ILE 60 3HD1 ILE 60 -0.408 -5.024 -1.286 504 HD12 ILE 60 1HD1 ILE 60 0.263 -6.520 -0.635 505 HD13 ILE 60 2HD1 ILE 60 0.986 -4.964 -0.213 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -13.605 2.147 2.482 2 H2 MET 1 2HT MET 1 -13.742 3.675 1.784 3 H3 MET 1 3HT MET 1 -12.608 3.390 2.988 4 HA MET 1 HA MET 1 -11.364 1.916 1.668 5 HB2 MET 1 2HB MET 1 -13.216 1.015 0.298 6 HB3 MET 1 1HB MET 1 -13.329 2.549 -0.553 7 HG2 MET 1 2HG MET 1 -11.017 2.247 -1.365 8 HG3 MET 1 1HG MET 1 -10.963 0.678 -0.573 9 HE1 MET 1 2HE MET 1 -13.962 -0.393 -1.152 10 HE2 MET 1 3HE MET 1 -12.514 -1.392 -1.290 11 HE3 MET 1 1HE MET 1 -13.674 -1.324 -2.618 12 H SER 2 H SER 2 -12.894 4.821 0.111 13 HA SER 2 HA SER 2 -10.607 5.655 -1.185 14 HB2 SER 2 2HB SER 2 -12.868 7.357 -0.136 15 HB3 SER 2 1HB SER 2 -11.760 7.768 -1.444 16 HG SER 2 HG SER 2 -12.610 5.569 -2.270 17 H SER 3 H SER 3 -8.739 6.173 -0.377 18 HA SER 3 HA SER 3 -7.093 7.011 0.819 19 HB2 SER 3 2HB SER 3 -9.199 8.976 1.750 20 HB3 SER 3 1HB SER 3 -7.458 9.171 1.984 21 HG SER 3 HG SER 3 -7.417 8.791 -0.396 22 H GLY 4 H GLY 4 -8.204 4.745 1.873 23 HA2 GLY 4 2HA GLY 4 -8.431 5.025 4.729 24 HA3 GLY 4 1HA GLY 4 -8.248 3.517 3.823 25 H LYS 5 H LYS 5 -6.598 6.028 5.483 26 HA LYS 5 HA LYS 5 -4.087 5.192 4.317 27 HB2 LYS 5 2HB LYS 5 -3.072 7.146 5.108 28 HB3 LYS 5 1HB LYS 5 -4.660 7.629 4.542 29 HG2 LYS 5 2HG LYS 5 -5.437 7.825 6.819 30 HG3 LYS 5 1HG LYS 5 -3.914 7.179 7.431 31 HD2 LYS 5 2HD LYS 5 -2.782 9.097 6.221 32 HD3 LYS 5 1HD LYS 5 -4.385 9.797 6.016 33 HE2 LYS 5 2HE LYS 5 -3.031 9.147 8.642 34 HE3 LYS 5 1HE LYS 5 -3.237 10.749 7.948 35 HZ1 LYS 5 3HZ LYS 5 -4.837 10.250 9.683 36 HZ2 LYS 5 1HZ LYS 5 -5.473 8.976 8.797 37 HZ3 LYS 5 2HZ LYS 5 -5.601 10.571 8.237 38 H LYS 6 H LYS 6 -2.422 4.464 5.314 39 HA LYS 6 HA LYS 6 -2.204 4.404 8.152 40 HB2 LYS 6 2HB LYS 6 -3.196 2.094 7.382 41 HB3 LYS 6 1HB LYS 6 -1.665 1.857 6.553 42 HG2 LYS 6 2HG LYS 6 -1.967 2.265 9.547 43 HG3 LYS 6 1HG LYS 6 -1.782 0.705 8.757 44 HD2 LYS 6 2HD LYS 6 0.434 1.234 8.056 45 HD3 LYS 6 1HD LYS 6 0.244 2.928 8.505 46 HE2 LYS 6 2HE LYS 6 0.057 2.216 10.868 47 HE3 LYS 6 1HE LYS 6 0.374 0.555 10.365 48 HZ1 LYS 6 3HZ LYS 6 2.210 2.838 9.884 49 HZ2 LYS 6 1HZ LYS 6 2.558 1.209 9.605 50 HZ3 LYS 6 2HZ LYS 6 2.351 1.766 11.179 51 HA PRO 7 HA PRO 7 1.439 5.675 5.886 52 HB2 PRO 7 2HB PRO 7 2.394 7.399 7.703 53 HB3 PRO 7 1HB PRO 7 1.014 7.797 6.680 54 HG2 PRO 7 2HG PRO 7 1.070 7.012 9.549 55 HG3 PRO 7 1HG PRO 7 -0.023 8.119 8.705 56 HD2 PRO 7 2HD PRO 7 -0.566 5.450 9.384 57 HD3 PRO 7 1HD PRO 7 -1.489 6.451 8.245 58 H VAL 8 H VAL 8 3.586 5.167 5.998 59 HA VAL 8 HA VAL 8 4.452 3.632 8.341 60 HB VAL 8 HB VAL 8 4.038 2.177 6.332 61 HG11 VAL 8 1HG1 VAL 8 6.164 3.798 5.003 62 HG12 VAL 8 2HG1 VAL 8 4.459 3.704 4.566 63 HG13 VAL 8 3HG1 VAL 8 5.494 2.285 4.397 64 HG21 VAL 8 3HG2 VAL 8 5.709 1.430 7.926 65 HG22 VAL 8 1HG2 VAL 8 6.943 2.402 7.121 66 HG23 VAL 8 2HG2 VAL 8 6.218 1.025 6.291 67 H LYS 9 H LYS 9 6.575 4.049 9.043 68 HA LYS 9 HA LYS 9 7.721 6.512 8.229 69 HB2 LYS 9 2HB LYS 9 8.736 4.267 9.993 70 HB3 LYS 9 1HB LYS 9 9.579 5.788 9.759 71 HG2 LYS 9 2HG LYS 9 7.751 6.998 10.733 72 HG3 LYS 9 1HG LYS 9 6.812 5.513 10.901 73 HD2 LYS 9 2HD LYS 9 8.472 4.640 12.460 74 HD3 LYS 9 1HD LYS 9 9.444 6.095 12.256 75 HE2 LYS 9 2HE LYS 9 8.135 6.192 14.331 76 HE3 LYS 9 1HE LYS 9 7.663 7.455 13.206 77 HZ1 LYS 9 3HZ LYS 9 6.182 4.896 13.521 78 HZ2 LYS 9 1HZ LYS 9 5.642 6.248 12.678 79 HZ3 LYS 9 2HZ LYS 9 5.786 6.287 14.347 80 H VAL 10 H VAL 10 8.647 6.597 6.311 81 HA VAL 10 HA VAL 10 10.166 4.268 5.407 82 HB VAL 10 HB VAL 10 8.075 4.449 4.176 83 HG11 VAL 10 1HG1 VAL 10 7.590 6.331 2.692 84 HG12 VAL 10 2HG1 VAL 10 8.978 7.194 3.364 85 HG13 VAL 10 3HG1 VAL 10 7.604 6.791 4.397 86 HG21 VAL 10 3HG2 VAL 10 8.913 4.486 1.887 87 HG22 VAL 10 1HG2 VAL 10 9.991 3.593 2.958 88 HG23 VAL 10 2HG2 VAL 10 10.420 5.229 2.443 89 H LYS 11 H LYS 11 12.072 4.579 4.457 90 HA LYS 11 HA LYS 11 13.409 7.084 4.883 91 HB2 LYS 11 2HB LYS 11 14.381 4.562 3.495 92 HB3 LYS 11 1HB LYS 11 15.386 5.893 4.056 93 HG2 LYS 11 2HG LYS 11 14.810 5.372 6.368 94 HG3 LYS 11 1HG LYS 11 13.765 4.059 5.820 95 HD2 LYS 11 2HD LYS 11 15.742 2.975 4.818 96 HD3 LYS 11 1HD LYS 11 16.754 4.270 5.461 97 HE2 LYS 11 2HE LYS 11 15.085 2.343 7.080 98 HE3 LYS 11 1HE LYS 11 16.830 2.276 6.874 99 HZ1 LYS 11 3HZ LYS 11 16.412 3.303 8.953 100 HZ2 LYS 11 1HZ LYS 11 15.267 4.366 8.304 101 HZ3 LYS 11 2HZ LYS 11 16.903 4.520 7.925 102 H THR 12 H THR 12 13.287 8.638 3.462 103 HA THR 12 HA THR 12 12.146 8.188 0.854 104 HB THR 12 HB THR 12 12.206 10.677 0.750 105 HG1 THR 12 1HG THR 12 13.003 10.570 3.470 106 HG21 THR 12 3HG2 THR 12 10.550 11.049 2.547 107 HG22 THR 12 1HG2 THR 12 11.011 9.509 3.273 108 HG23 THR 12 2HG2 THR 12 10.246 9.545 1.681 109 HA PRO 13 HA PRO 13 15.906 8.670 -1.623 110 HB2 PRO 13 2HB PRO 13 14.669 10.982 -3.024 111 HB3 PRO 13 1HB PRO 13 15.277 9.455 -3.678 112 HG2 PRO 13 2HG PRO 13 12.676 9.911 -3.535 113 HG3 PRO 13 1HG PRO 13 13.354 8.308 -3.192 114 HD2 PRO 13 2HD PRO 13 12.435 10.420 -1.294 115 HD3 PRO 13 1HD PRO 13 12.156 8.668 -1.242 116 H ALA 14 H ALA 14 14.443 11.451 -0.092 117 HA ALA 14 HA ALA 14 16.691 13.169 -0.225 118 HB1 ALA 14 1HB ALA 14 14.422 13.979 0.202 119 HB2 ALA 14 2HB ALA 14 15.535 14.465 1.481 120 HB3 ALA 14 3HB ALA 14 14.412 13.130 1.748 121 H GLY 15 H GLY 15 16.027 10.357 1.590 122 HA2 GLY 15 2HA GLY 15 17.710 9.208 2.747 123 HA3 GLY 15 1HA GLY 15 18.549 10.731 3.003 124 H LYS 16 H LYS 16 15.338 11.110 3.696 125 HA LYS 16 HA LYS 16 15.914 10.712 6.553 126 HB2 LYS 16 2HB LYS 16 14.477 12.617 7.010 127 HB3 LYS 16 1HB LYS 16 15.786 13.072 5.929 128 HG2 LYS 16 2HG LYS 16 14.092 12.680 4.046 129 HG3 LYS 16 1HG LYS 16 12.878 12.721 5.320 130 HD2 LYS 16 2HD LYS 16 14.873 14.895 4.727 131 HD3 LYS 16 1HD LYS 16 13.179 14.907 4.255 132 HE2 LYS 16 2HE LYS 16 12.503 14.954 6.589 133 HE3 LYS 16 1HE LYS 16 14.188 14.833 7.095 134 HZ1 LYS 16 3HZ LYS 16 14.651 16.947 6.169 135 HZ2 LYS 16 1HZ LYS 16 13.293 17.137 7.142 136 HZ3 LYS 16 2HZ LYS 16 13.161 17.088 5.442 137 H GLU 17 H GLU 17 13.989 10.283 7.870 138 HA GLU 17 HA GLU 17 12.161 8.603 6.345 139 HB2 GLU 17 2HB GLU 17 12.793 8.577 9.288 140 HB3 GLU 17 1HB GLU 17 11.641 7.512 8.485 141 HG2 GLU 17 2HG GLU 17 13.420 6.624 7.113 142 HG3 GLU 17 1HG GLU 17 14.587 7.664 7.924 143 H ALA 18 H ALA 18 10.102 8.947 6.302 144 HA ALA 18 HA ALA 18 8.874 10.822 8.156 145 HB1 ALA 18 1HB ALA 18 9.449 12.171 6.181 146 HB2 ALA 18 2HB ALA 18 7.703 11.942 6.290 147 HB3 ALA 18 3HB ALA 18 8.644 10.995 5.139 148 H GLU 19 H GLU 19 6.556 10.474 8.216 149 HA GLU 19 HA GLU 19 5.943 7.727 7.516 150 HB2 GLU 19 2HB GLU 19 4.375 9.733 9.132 151 HB3 GLU 19 1HB GLU 19 3.875 8.078 8.830 152 HG2 GLU 19 2HG GLU 19 5.888 7.301 9.928 153 HG3 GLU 19 1HG GLU 19 6.300 8.960 10.357 154 H LEU 20 H LEU 20 5.343 7.492 5.578 155 HA LEU 20 HA LEU 20 3.568 9.485 4.374 156 HB2 LEU 20 2HB LEU 20 5.633 7.696 3.114 157 HB3 LEU 20 1HB LEU 20 4.532 8.721 2.210 158 HG LEU 20 HG LEU 20 6.652 9.723 4.124 159 HD11 LEU 20 1HD1 LEU 20 6.633 9.631 1.111 160 HD12 LEU 20 2HD1 LEU 20 7.634 8.635 2.167 161 HD13 LEU 20 3HD1 LEU 20 7.870 10.381 2.118 162 HD21 LEU 20 3HD2 LEU 20 4.951 11.156 2.101 163 HD22 LEU 20 1HD2 LEU 20 6.220 11.879 3.082 164 HD23 LEU 20 2HD2 LEU 20 4.757 11.258 3.858 165 H VAL 21 H VAL 21 1.682 8.700 3.564 166 HA VAL 21 HA VAL 21 1.347 5.852 3.685 167 HB VAL 21 HB VAL 21 -0.425 7.114 4.738 168 HG11 VAL 21 1HG1 VAL 21 -0.336 9.217 3.632 169 HG12 VAL 21 2HG1 VAL 21 -1.967 8.575 3.463 170 HG13 VAL 21 3HG1 VAL 21 -0.835 8.490 2.108 171 HG21 VAL 21 3HG2 VAL 21 -1.315 5.824 2.167 172 HG22 VAL 21 1HG2 VAL 21 -2.411 6.234 3.486 173 HG23 VAL 21 2HG2 VAL 21 -1.129 5.055 3.743 174 HA PRO 22 HA PRO 22 2.489 5.656 -0.526 175 HB2 PRO 22 2HB PRO 22 1.511 3.095 -0.989 176 HB3 PRO 22 1HB PRO 22 3.095 3.476 -0.317 177 HG2 PRO 22 2HG PRO 22 0.618 2.602 1.068 178 HG3 PRO 22 1HG PRO 22 2.311 2.278 1.474 179 HD2 PRO 22 2HD PRO 22 0.750 4.066 2.784 180 HD3 PRO 22 1HD PRO 22 2.513 4.199 2.674 181 H GLU 23 H GLU 23 1.629 6.073 -2.436 182 HA GLU 23 HA GLU 23 -1.064 6.909 -2.717 183 HB2 GLU 23 2HB GLU 23 1.018 6.297 -4.812 184 HB3 GLU 23 1HB GLU 23 -0.423 7.260 -5.043 185 HG2 GLU 23 2HG GLU 23 1.893 7.960 -3.248 186 HG3 GLU 23 1HG GLU 23 1.602 8.612 -4.859 187 H LYS 24 H LYS 24 0.840 4.215 -3.805 188 HA LYS 24 HA LYS 24 -1.530 2.607 -4.371 189 HB2 LYS 24 2HB LYS 24 -0.824 3.491 -6.536 190 HB3 LYS 24 1HB LYS 24 0.845 3.065 -6.200 191 HG2 LYS 24 2HG LYS 24 0.225 0.696 -6.224 192 HG3 LYS 24 1HG LYS 24 -1.435 1.150 -6.617 193 HD2 LYS 24 2HD LYS 24 -0.737 2.066 -8.731 194 HD3 LYS 24 1HD LYS 24 0.965 1.858 -8.306 195 HE2 LYS 24 2HE LYS 24 0.751 -0.518 -8.346 196 HE3 LYS 24 1HE LYS 24 -0.992 -0.425 -8.559 197 HZ1 LYS 24 3HZ LYS 24 0.999 0.594 -10.488 198 HZ2 LYS 24 1HZ LYS 24 -0.660 0.540 -10.713 199 HZ3 LYS 24 2HZ LYS 24 0.237 -0.896 -10.632 200 H VAL 25 H VAL 25 -1.248 0.516 -3.668 201 HA VAL 25 HA VAL 25 1.456 -0.301 -2.873 202 HB VAL 25 HB VAL 25 0.457 -1.684 -1.074 203 HG11 VAL 25 1HG1 VAL 25 -0.251 1.226 -0.878 204 HG12 VAL 25 2HG1 VAL 25 1.304 0.493 -0.491 205 HG13 VAL 25 3HG1 VAL 25 -0.120 0.112 0.480 206 HG21 VAL 25 3HG2 VAL 25 -2.128 -0.305 -1.797 207 HG22 VAL 25 1HG2 VAL 25 -1.871 -1.296 -0.358 208 HG23 VAL 25 2HG2 VAL 25 -1.764 -2.022 -1.966 209 H TRP 26 H TRP 26 2.058 -2.392 -3.377 210 HA TRP 26 HA TRP 26 0.102 -4.228 -4.340 211 HB2 TRP 26 2HB TRP 26 1.259 -4.672 -6.497 212 HB3 TRP 26 1HB TRP 26 0.571 -3.060 -6.430 213 HD1 TRP 26 HD TRP 26 3.749 -4.896 -7.123 214 HE1 TRP 26 1HE TRP 26 5.643 -3.225 -7.636 215 HE3 TRP 26 3HE TRP 26 1.482 -0.622 -5.590 216 HZ2 TRP 26 2HZ TRP 26 6.088 -0.448 -7.416 217 HZ3 TRP 26 3HZ TRP 26 2.694 1.509 -5.768 218 HH2 TRP 26 HH TRP 26 4.938 1.601 -6.650 219 H ALA 27 H ALA 27 1.115 -6.368 -4.768 220 HA ALA 27 HA ALA 27 3.554 -6.697 -3.192 221 HB1 ALA 27 1HB ALA 27 2.618 -8.548 -1.950 222 HB2 ALA 27 2HB ALA 27 1.086 -8.378 -2.801 223 HB3 ALA 27 3HB ALA 27 1.629 -7.105 -1.707 224 H LEU 28 H LEU 28 4.962 -7.933 -4.093 225 HA LEU 28 HA LEU 28 4.197 -9.530 -6.383 226 HB2 LEU 28 2HB LEU 28 6.914 -8.774 -5.290 227 HB3 LEU 28 1HB LEU 28 6.679 -9.846 -6.647 228 HG LEU 28 HG LEU 28 5.618 -7.931 -7.880 229 HD11 LEU 28 1HD1 LEU 28 6.030 -5.665 -7.102 230 HD12 LEU 28 2HD1 LEU 28 6.684 -6.296 -5.591 231 HD13 LEU 28 3HD1 LEU 28 4.984 -6.545 -5.986 232 HD21 LEU 28 3HD2 LEU 28 8.447 -7.550 -6.937 233 HD22 LEU 28 1HD2 LEU 28 7.739 -6.849 -8.391 234 HD23 LEU 28 2HD2 LEU 28 7.917 -8.599 -8.249 235 H ALA 29 H ALA 29 3.248 -11.255 -5.507 236 HA ALA 29 HA ALA 29 4.848 -12.891 -3.687 237 HB1 ALA 29 1HB ALA 29 2.594 -12.373 -2.888 238 HB2 ALA 29 2HB ALA 29 2.748 -14.095 -3.248 239 HB3 ALA 29 3HB ALA 29 1.911 -13.029 -4.376 240 HA PRO 30 HA PRO 30 5.627 -15.100 -7.554 241 HB2 PRO 30 2HB PRO 30 7.178 -16.856 -5.748 242 HB3 PRO 30 1HB PRO 30 7.707 -16.013 -7.203 243 HG2 PRO 30 2HG PRO 30 8.477 -15.194 -4.770 244 HG3 PRO 30 1HG PRO 30 8.136 -14.038 -6.072 245 HD2 PRO 30 2HD PRO 30 6.449 -14.803 -3.723 246 HD3 PRO 30 1HD PRO 30 6.709 -13.209 -4.465 247 H LYS 31 H LYS 31 5.647 -17.271 -4.725 248 HA LYS 31 HA LYS 31 3.071 -18.331 -5.241 249 HB2 LYS 31 2HB LYS 31 3.872 -20.674 -5.722 250 HB3 LYS 31 1HB LYS 31 4.078 -19.545 -7.048 251 HG2 LYS 31 2HG LYS 31 6.458 -19.341 -6.511 252 HG3 LYS 31 1HG LYS 31 6.251 -20.446 -5.153 253 HD2 LYS 31 2HD LYS 31 5.662 -21.154 -8.024 254 HD3 LYS 31 1HD LYS 31 7.195 -21.497 -7.229 255 HE2 LYS 31 2HE LYS 31 4.497 -22.530 -6.333 256 HE3 LYS 31 1HE LYS 31 5.669 -23.439 -7.278 257 HZ1 LYS 31 3HZ LYS 31 5.840 -24.032 -4.970 258 HZ2 LYS 31 1HZ LYS 31 6.097 -22.433 -4.497 259 HZ3 LYS 31 2HZ LYS 31 7.237 -23.222 -5.434 260 H GLY 32 H GLY 32 2.361 -18.584 -3.253 261 HA2 GLY 32 2HA GLY 32 2.197 -19.267 -1.088 262 HA3 GLY 32 1HA GLY 32 3.445 -20.449 -1.453 263 H ARG 33 H ARG 33 3.496 -16.915 -1.384 264 HA ARG 33 HA ARG 33 5.599 -17.064 0.660 265 HB2 ARG 33 2HB ARG 33 5.585 -15.310 -1.816 266 HB3 ARG 33 1HB ARG 33 6.734 -15.153 -0.504 267 HG2 ARG 33 2HG ARG 33 6.458 -17.719 -2.047 268 HG3 ARG 33 1HG ARG 33 7.468 -16.405 -2.631 269 HD2 ARG 33 2HD ARG 33 8.764 -18.119 -1.414 270 HD3 ARG 33 1HD ARG 33 8.861 -16.543 -0.649 271 HE ARG 33 HE ARG 33 7.263 -17.376 0.996 272 HH11 ARG 33 1HH1 ARG 33 8.970 -19.855 -0.894 273 HH12 ARG 33 2HH1 ARG 33 8.978 -20.994 0.357 274 HH21 ARG 33 1HH2 ARG 33 7.234 -18.985 2.700 275 HH22 ARG 33 2HH2 ARG 33 7.946 -20.496 2.441 276 H LYS 34 H LYS 34 5.879 -14.850 1.716 277 HA LYS 34 HA LYS 34 3.345 -13.968 2.650 278 HB2 LYS 34 2HB LYS 34 5.423 -13.957 4.038 279 HB3 LYS 34 1HB LYS 34 6.067 -12.685 3.016 280 HG2 LYS 34 2HG LYS 34 5.269 -11.745 5.078 281 HG3 LYS 34 1HG LYS 34 4.243 -11.200 3.753 282 HD2 LYS 34 2HD LYS 34 2.560 -12.881 4.368 283 HD3 LYS 34 1HD LYS 34 3.593 -13.433 5.691 284 HE2 LYS 34 2HE LYS 34 3.461 -11.208 6.714 285 HE3 LYS 34 1HE LYS 34 2.425 -10.661 5.398 286 HZ1 LYS 34 3HZ LYS 34 1.773 -12.782 7.374 287 HZ2 LYS 34 1HZ LYS 34 0.755 -12.300 6.122 288 HZ3 LYS 34 2HZ LYS 34 1.150 -11.235 7.364 289 H GLY 35 H GLY 35 5.712 -12.752 0.394 290 HA2 GLY 35 2HA GLY 35 4.907 -11.729 -1.631 291 HA3 GLY 35 1HA GLY 35 3.616 -10.999 -0.685 292 H VAL 36 H VAL 36 6.362 -10.345 -2.262 293 HA VAL 36 HA VAL 36 7.584 -8.496 -0.448 294 HB VAL 36 HB VAL 36 7.893 -8.718 -3.459 295 HG11 VAL 36 1HG1 VAL 36 10.060 -7.621 -3.108 296 HG12 VAL 36 2HG1 VAL 36 9.668 -7.411 -1.401 297 HG13 VAL 36 3HG1 VAL 36 8.704 -6.600 -2.633 298 HG21 VAL 36 3HG2 VAL 36 9.524 -10.034 -1.283 299 HG22 VAL 36 1HG2 VAL 36 9.921 -10.044 -3.002 300 HG23 VAL 36 2HG2 VAL 36 8.458 -10.844 -2.427 301 H LYS 37 H LYS 37 6.413 -6.870 0.116 302 HA LYS 37 HA LYS 37 4.394 -5.720 -1.610 303 HB2 LYS 37 2HB LYS 37 5.168 -5.204 1.251 304 HB3 LYS 37 1HB LYS 37 3.806 -4.447 0.431 305 HG2 LYS 37 2HG LYS 37 2.748 -6.585 0.125 306 HG3 LYS 37 1HG LYS 37 4.153 -7.413 0.783 307 HD2 LYS 37 2HD LYS 37 3.767 -6.437 2.943 308 HD3 LYS 37 1HD LYS 37 2.440 -5.460 2.305 309 HE2 LYS 37 2HE LYS 37 1.622 -7.435 3.490 310 HE3 LYS 37 1HE LYS 37 1.183 -7.473 1.786 311 HZ1 LYS 37 3HZ LYS 37 3.331 -9.020 3.132 312 HZ2 LYS 37 1HZ LYS 37 3.138 -8.965 1.444 313 HZ3 LYS 37 2HZ LYS 37 1.918 -9.608 2.372 314 H ILE 38 H ILE 38 4.505 -3.755 -2.519 315 HA ILE 38 HA ILE 38 6.731 -1.999 -1.831 316 HB ILE 38 HB ILE 38 5.962 -2.687 -4.708 317 HG12 ILE 38 2HG1 ILE 38 8.490 -3.399 -3.190 318 HG13 ILE 38 1HG1 ILE 38 7.207 -4.526 -3.592 319 HG21 ILE 38 1HG2 ILE 38 7.904 -1.322 -5.346 320 HG22 ILE 38 2HG2 ILE 38 8.166 -0.915 -3.647 321 HG23 ILE 38 3HG2 ILE 38 6.697 -0.385 -4.464 322 HD11 ILE 38 3HD1 ILE 38 9.087 -4.770 -5.076 323 HD12 ILE 38 1HD1 ILE 38 8.972 -3.073 -5.551 324 HD13 ILE 38 2HD1 ILE 38 7.673 -4.195 -5.964 325 H GLY 39 H GLY 39 6.215 0.120 -1.953 326 HA2 GLY 39 2HA GLY 39 3.515 0.738 -2.894 327 HA3 GLY 39 1HA GLY 39 4.089 1.327 -1.336 328 H LEU 40 H LEU 40 3.268 2.711 -3.753 329 HA LEU 40 HA LEU 40 5.750 4.077 -4.465 330 HB2 LEU 40 2HB LEU 40 4.296 3.507 -6.315 331 HB3 LEU 40 1HB LEU 40 2.946 4.343 -5.598 332 HG LEU 40 HG LEU 40 4.293 6.476 -5.877 333 HD11 LEU 40 1HD1 LEU 40 6.048 4.648 -7.494 334 HD12 LEU 40 2HD1 LEU 40 6.503 5.495 -6.011 335 HD13 LEU 40 3HD1 LEU 40 6.140 6.405 -7.479 336 HD21 LEU 40 3HD2 LEU 40 3.907 6.628 -8.266 337 HD22 LEU 40 1HD2 LEU 40 2.539 5.868 -7.435 338 HD23 LEU 40 2HD2 LEU 40 3.699 4.876 -8.333 339 H PHE 41 H PHE 41 6.286 5.870 -3.527 340 HA PHE 41 HA PHE 41 4.335 7.251 -1.810 341 HB2 PHE 41 2HB PHE 41 7.300 6.890 -1.516 342 HB3 PHE 41 1HB PHE 41 6.316 7.897 -0.488 343 HD1 PHE 41 1HD PHE 41 4.752 6.832 1.089 344 HD2 PHE 41 2HD PHE 41 7.420 4.543 -1.290 345 HE1 PHE 41 1HE PHE 41 4.441 4.925 2.587 346 HE2 PHE 41 2HE PHE 41 7.105 2.616 0.200 347 HZ PHE 41 HZ PHE 41 5.609 2.812 2.149 348 H LYS 42 H LYS 42 5.008 9.507 -1.456 349 HA LYS 42 HA LYS 42 6.466 10.640 -3.725 350 HB2 LYS 42 2HB LYS 42 4.177 11.418 -3.774 351 HB3 LYS 42 1HB LYS 42 4.228 11.808 -2.060 352 HG2 LYS 42 2HG LYS 42 6.031 13.463 -2.577 353 HG3 LYS 42 1HG LYS 42 5.713 13.174 -4.285 354 HD2 LYS 42 2HD LYS 42 3.547 14.052 -4.130 355 HD3 LYS 42 1HD LYS 42 3.560 13.997 -2.363 356 HE2 LYS 42 2HE LYS 42 5.301 15.753 -4.087 357 HE3 LYS 42 1HE LYS 42 3.888 16.289 -3.180 358 HZ1 LYS 42 3HZ LYS 42 5.081 15.528 -1.118 359 HZ2 LYS 42 1HZ LYS 42 5.824 16.800 -1.926 360 HZ3 LYS 42 2HZ LYS 42 6.450 15.256 -2.056 361 H ASP 43 H ASP 43 8.325 11.554 -3.188 362 HA ASP 43 HA ASP 43 9.208 11.693 -0.490 363 HB2 ASP 43 2HB ASP 43 10.789 11.318 -2.349 364 HB3 ASP 43 1HB ASP 43 10.381 12.891 -3.016 365 HA PRO 44 HA PRO 44 7.358 15.628 0.264 366 HB2 PRO 44 2HB PRO 44 8.209 16.048 2.757 367 HB3 PRO 44 1HB PRO 44 7.037 14.784 2.380 368 HG2 PRO 44 2HG PRO 44 9.969 14.549 2.913 369 HG3 PRO 44 1HG PRO 44 8.649 13.482 3.415 370 HD2 PRO 44 2HD PRO 44 10.316 13.015 1.257 371 HD3 PRO 44 1HD PRO 44 8.697 12.313 1.465 372 H GLU 45 H GLU 45 10.766 15.240 0.012 373 HA GLU 45 HA GLU 45 11.236 18.056 0.639 374 HB2 GLU 45 2HB GLU 45 13.217 15.871 0.020 375 HB3 GLU 45 1HB GLU 45 13.592 17.473 0.625 376 HG2 GLU 45 2HG GLU 45 11.997 15.396 2.113 377 HG3 GLU 45 1HG GLU 45 13.712 15.704 2.339 378 H THR 46 H THR 46 11.890 15.677 -1.881 379 HA THR 46 HA THR 46 12.627 17.755 -3.770 380 HB THR 46 HB THR 46 13.043 15.807 -5.313 381 HG1 THR 46 1HG THR 46 12.437 14.277 -2.981 382 HG21 THR 46 3HG2 THR 46 14.383 15.642 -2.604 383 HG22 THR 46 1HG2 THR 46 14.861 16.713 -3.924 384 HG23 THR 46 2HG2 THR 46 15.015 14.963 -4.103 385 H GLY 47 H GLY 47 10.037 15.439 -3.201 386 HA2 GLY 47 2HA GLY 47 7.811 15.947 -3.744 387 HA3 GLY 47 1HA GLY 47 8.423 16.951 -5.055 388 H LYS 48 H LYS 48 10.212 14.261 -5.263 389 HA LYS 48 HA LYS 48 8.626 13.378 -7.504 390 HB2 LYS 48 2HB LYS 48 10.527 11.935 -8.085 391 HB3 LYS 48 1HB LYS 48 11.017 13.601 -7.849 392 HG2 LYS 48 2HG LYS 48 11.910 13.040 -5.646 393 HG3 LYS 48 1HG LYS 48 11.386 11.366 -5.857 394 HD2 LYS 48 2HD LYS 48 12.850 11.154 -7.812 395 HD3 LYS 48 1HD LYS 48 13.363 12.828 -7.610 396 HE2 LYS 48 2HE LYS 48 14.338 12.291 -5.447 397 HE3 LYS 48 1HE LYS 48 13.767 10.630 -5.577 398 HZ1 LYS 48 3HZ LYS 48 15.190 10.366 -7.539 399 HZ2 LYS 48 1HZ LYS 48 16.100 10.790 -6.182 400 HZ3 LYS 48 2HZ LYS 48 15.751 11.942 -7.353 401 H TYR 49 H TYR 49 7.987 11.233 -7.900 402 HA TYR 49 HA TYR 49 7.099 9.889 -5.490 403 HB2 TYR 49 2HB TYR 49 6.373 9.564 -8.401 404 HB3 TYR 49 1HB TYR 49 5.798 8.464 -7.152 405 HD1 TYR 49 1HD TYR 49 5.675 11.963 -8.365 406 HD2 TYR 49 2HD TYR 49 3.995 9.065 -5.746 407 HE1 TYR 49 1HE TYR 49 3.785 13.475 -7.918 408 HE2 TYR 49 2HE TYR 49 2.096 10.578 -5.289 409 HH TYR 49 HH TYR 49 1.409 13.253 -7.160 410 H PHE 50 H PHE 50 7.984 8.113 -4.730 411 HA PHE 50 HA PHE 50 9.860 6.633 -6.447 412 HB2 PHE 50 2HB PHE 50 11.423 6.417 -4.608 413 HB3 PHE 50 1HB PHE 50 11.092 8.122 -4.858 414 HD1 PHE 50 2HD PHE 50 9.445 9.271 -3.241 415 HD2 PHE 50 1HD PHE 50 11.120 5.423 -2.499 416 HE1 PHE 50 2HE PHE 50 8.895 9.486 -0.843 417 HE2 PHE 50 1HE PHE 50 10.576 5.641 -0.113 418 HZ PHE 50 HZ PHE 50 9.462 7.678 0.717 419 H ARG 51 H ARG 51 9.709 4.388 -6.228 420 HA ARG 51 HA ARG 51 7.701 3.514 -4.357 421 HB2 ARG 51 2HB ARG 51 7.588 1.513 -5.671 422 HB3 ARG 51 1HB ARG 51 7.305 2.912 -6.691 423 HG2 ARG 51 2HG ARG 51 9.637 2.700 -7.507 424 HG3 ARG 51 1HG ARG 51 9.801 1.222 -6.546 425 HD2 ARG 51 2HD ARG 51 7.788 0.355 -7.731 426 HD3 ARG 51 1HD ARG 51 7.889 1.760 -8.794 427 HE ARG 51 HE ARG 51 10.326 0.326 -8.696 428 HH11 ARG 51 1HH1 ARG 51 7.123 0.385 -10.218 429 HH12 ARG 51 2HH1 ARG 51 7.549 -0.725 -11.443 430 HH21 ARG 51 1HH2 ARG 51 10.880 -1.191 -10.356 431 HH22 ARG 51 2HH2 ARG 51 9.716 -1.635 -11.526 432 H HIS 52 H HIS 52 8.135 2.046 -2.825 433 HA HIS 52 HA HIS 52 10.904 1.142 -2.498 434 HB2 HIS 52 2HB HIS 52 10.666 3.321 -1.300 435 HB3 HIS 52 1HB HIS 52 9.312 2.660 -0.402 436 HD1 HIS 52 1HD HIS 52 9.875 1.474 1.767 437 HD2 HIS 52 2HD HIS 52 13.208 2.060 -0.642 438 HE1 HIS 52 1HE HIS 52 11.839 0.878 3.178 439 HE2 HIS 52 2HE HIS 52 13.796 0.983 1.622 440 H LYS 53 H LYS 53 10.983 -0.842 -1.400 441 HA LYS 53 HA LYS 53 8.510 -2.179 -1.275 442 HB2 LYS 53 2HB LYS 53 9.701 -4.188 -0.694 443 HB3 LYS 53 1HB LYS 53 10.632 -3.345 -1.893 444 HG2 LYS 53 2HG LYS 53 12.284 -4.080 -0.452 445 HG3 LYS 53 1HG LYS 53 11.993 -2.449 0.145 446 HD2 LYS 53 2HD LYS 53 12.159 -3.965 2.018 447 HD3 LYS 53 1HD LYS 53 10.499 -3.385 1.883 448 HE2 LYS 53 2HE LYS 53 9.917 -5.519 0.694 449 HE3 LYS 53 1HE LYS 53 11.567 -6.068 0.990 450 HZ1 LYS 53 3HZ LYS 53 11.131 -5.922 3.369 451 HZ2 LYS 53 1HZ LYS 53 9.956 -6.909 2.625 452 HZ3 LYS 53 2HZ LYS 53 9.593 -5.318 3.039 453 H LEU 54 H LEU 54 7.353 -2.870 0.421 454 HA LEU 54 HA LEU 54 7.542 -1.164 2.798 455 HB2 LEU 54 2HB LEU 54 5.324 -3.104 2.204 456 HB3 LEU 54 1HB LEU 54 5.294 -1.684 3.162 457 HG LEU 54 HG LEU 54 5.480 -1.572 0.160 458 HD11 LEU 54 1HD1 LEU 54 3.118 -1.103 1.973 459 HD12 LEU 54 2HD1 LEU 54 3.327 -2.474 0.886 460 HD13 LEU 54 3HD1 LEU 54 3.160 -0.848 0.230 461 HD21 LEU 54 3HD2 LEU 54 6.469 0.340 1.268 462 HD22 LEU 54 1HD2 LEU 54 5.009 0.542 2.245 463 HD23 LEU 54 2HD2 LEU 54 4.934 0.772 0.501 464 HA PRO 55 HA PRO 55 8.576 -4.696 5.392 465 HB2 PRO 55 2HB PRO 55 6.085 -4.451 6.996 466 HB3 PRO 55 1HB PRO 55 7.758 -4.312 7.531 467 HG2 PRO 55 2HG PRO 55 6.191 -2.148 7.367 468 HG3 PRO 55 1HG PRO 55 7.909 -2.068 6.939 469 HD2 PRO 55 2HD PRO 55 5.522 -2.298 5.148 470 HD3 PRO 55 1HD PRO 55 6.904 -1.264 4.902 471 H ASP 56 H ASP 56 8.150 -6.892 5.292 472 HA ASP 56 HA ASP 56 6.349 -7.715 3.291 473 HB2 ASP 56 2HB ASP 56 7.816 -9.428 5.311 474 HB3 ASP 56 1HB ASP 56 6.994 -10.042 3.886 475 H ASP 57 H ASP 57 6.066 -7.437 6.669 476 HA ASP 57 HA ASP 57 3.557 -8.936 6.707 477 HB2 ASP 57 2HB ASP 57 5.332 -7.953 8.933 478 HB3 ASP 57 1HB ASP 57 3.721 -8.593 9.226 479 H TYR 58 H TYR 58 4.169 -5.996 5.778 480 HA TYR 58 HA TYR 58 2.581 -4.352 7.488 481 HB2 TYR 58 2HB TYR 58 4.415 -3.672 5.904 482 HB3 TYR 58 1HB TYR 58 3.300 -3.946 4.584 483 HD1 TYR 58 2HD TYR 58 3.495 -2.042 7.783 484 HD2 TYR 58 1HD TYR 58 2.183 -2.091 3.742 485 HE1 TYR 58 2HE TYR 58 2.793 0.298 7.988 486 HE2 TYR 58 1HE TYR 58 1.486 0.266 3.933 487 HH TYR 58 HH TYR 58 0.897 1.934 5.666 488 HA PRO 59 HA PRO 59 -1.177 -6.008 5.823 489 HB2 PRO 59 2HB PRO 59 -2.958 -4.464 7.163 490 HB3 PRO 59 1HB PRO 59 -2.087 -5.807 7.907 491 HG2 PRO 59 2HG PRO 59 -1.643 -2.890 8.175 492 HG3 PRO 59 1HG PRO 59 -1.335 -4.190 9.335 493 HD2 PRO 59 2HD PRO 59 0.575 -2.909 7.732 494 HD3 PRO 59 1HD PRO 59 0.804 -4.423 8.623 495 H ILE 60 H ILE 60 -1.268 -5.503 3.725 496 HA ILE 60 HA ILE 60 -2.566 -2.984 3.072 497 HB ILE 60 HB ILE 60 -1.639 -3.128 0.772 498 HG12 ILE 60 2HG1 ILE 60 0.148 -5.334 1.840 499 HG13 ILE 60 1HG1 ILE 60 -1.205 -5.588 0.744 500 HG21 ILE 60 1HG2 ILE 60 0.654 -2.440 1.307 501 HG22 ILE 60 2HG2 ILE 60 0.432 -3.053 2.948 502 HG23 ILE 60 3HG2 ILE 60 -0.546 -1.704 2.373 503 HD11 ILE 60 3HD1 ILE 60 -0.078 -4.208 -0.946 504 HD12 ILE 60 1HD1 ILE 60 0.899 -5.592 -0.454 505 HD13 ILE 60 2HD1 ILE 60 1.277 -3.983 0.160 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -10.982 13.543 14.362 2 H2 MET 1 2HT MET 1 -12.161 13.695 13.178 3 H3 MET 1 3HT MET 1 -10.971 14.870 13.316 4 HA MET 1 HA MET 1 -10.548 13.391 11.444 5 HB2 MET 1 2HB MET 1 -8.646 12.938 13.764 6 HB3 MET 1 1HB MET 1 -8.281 12.601 12.082 7 HG2 MET 1 2HG MET 1 -8.443 14.971 11.562 8 HG3 MET 1 1HG MET 1 -8.867 15.319 13.236 9 HE1 MET 1 2HE MET 1 -4.728 13.777 11.846 10 HE2 MET 1 3HE MET 1 -6.066 14.145 10.765 11 HE3 MET 1 1HE MET 1 -6.165 12.756 11.845 12 H SER 2 H SER 2 -10.624 11.294 10.635 13 HA SER 2 HA SER 2 -11.284 9.223 12.586 14 HB2 SER 2 2HB SER 2 -11.843 9.336 9.616 15 HB3 SER 2 1HB SER 2 -12.421 8.107 10.741 16 HG SER 2 HG SER 2 -13.809 9.489 11.600 17 H SER 3 H SER 3 -9.520 8.006 13.035 18 HA SER 3 HA SER 3 -7.243 7.997 11.412 19 HB2 SER 3 2HB SER 3 -6.550 6.156 13.040 20 HB3 SER 3 1HB SER 3 -6.921 7.734 13.733 21 HG SER 3 HG SER 3 -7.919 5.509 14.471 22 H GLY 4 H GLY 4 -7.311 7.155 9.482 23 HA2 GLY 4 2HA GLY 4 -8.188 4.369 9.231 24 HA3 GLY 4 1HA GLY 4 -8.672 5.576 8.049 25 H LYS 5 H LYS 5 -6.343 7.019 7.744 26 HA LYS 5 HA LYS 5 -4.890 5.155 6.208 27 HB2 LYS 5 2HB LYS 5 -3.418 7.047 5.516 28 HB3 LYS 5 1HB LYS 5 -5.114 7.326 5.211 29 HG2 LYS 5 2HG LYS 5 -4.292 9.396 5.946 30 HG3 LYS 5 1HG LYS 5 -5.076 8.729 7.368 31 HD2 LYS 5 2HD LYS 5 -2.889 7.999 8.221 32 HD3 LYS 5 1HD LYS 5 -2.109 8.681 6.794 33 HE2 LYS 5 2HE LYS 5 -2.889 10.904 7.407 34 HE3 LYS 5 1HE LYS 5 -3.742 10.239 8.794 35 HZ1 LYS 5 3HZ LYS 5 -1.584 9.555 9.712 36 HZ2 LYS 5 1HZ LYS 5 -1.681 11.208 9.465 37 HZ3 LYS 5 2HZ LYS 5 -0.796 10.288 8.401 38 H LYS 6 H LYS 6 -3.092 4.186 6.474 39 HA LYS 6 HA LYS 6 -1.655 4.658 8.947 40 HB2 LYS 6 2HB LYS 6 -0.986 2.157 8.693 41 HB3 LYS 6 1HB LYS 6 -2.568 2.554 9.337 42 HG2 LYS 6 2HG LYS 6 -3.577 2.092 7.155 43 HG3 LYS 6 1HG LYS 6 -1.981 1.730 6.497 44 HD2 LYS 6 2HD LYS 6 -1.751 -0.199 7.834 45 HD3 LYS 6 1HD LYS 6 -3.097 0.270 8.873 46 HE2 LYS 6 2HE LYS 6 -3.734 -1.544 7.371 47 HE3 LYS 6 1HE LYS 6 -4.656 -0.086 7.044 48 HZ1 LYS 6 3HZ LYS 6 -3.168 0.330 5.140 49 HZ2 LYS 6 1HZ LYS 6 -4.008 -1.109 5.033 50 HZ3 LYS 6 2HZ LYS 6 -2.401 -1.168 5.421 51 HA PRO 7 HA PRO 7 1.360 5.522 5.780 52 HB2 PRO 7 2HB PRO 7 2.680 7.418 7.172 53 HB3 PRO 7 1HB PRO 7 1.173 7.753 6.324 54 HG2 PRO 7 2HG PRO 7 1.670 7.412 9.221 55 HG3 PRO 7 1HG PRO 7 0.444 8.383 8.388 56 HD2 PRO 7 2HD PRO 7 0.070 5.864 9.584 57 HD3 PRO 7 1HD PRO 7 -1.063 6.708 8.512 58 H VAL 8 H VAL 8 3.448 4.812 5.584 59 HA VAL 8 HA VAL 8 4.404 3.368 7.918 60 HB VAL 8 HB VAL 8 3.959 1.945 5.935 61 HG11 VAL 8 1HG1 VAL 8 4.327 3.497 4.161 62 HG12 VAL 8 2HG1 VAL 8 5.355 2.079 3.946 63 HG13 VAL 8 3HG1 VAL 8 6.045 3.585 4.550 64 HG21 VAL 8 3HG2 VAL 8 6.114 0.782 5.819 65 HG22 VAL 8 1HG2 VAL 8 5.692 1.227 7.473 66 HG23 VAL 8 2HG2 VAL 8 6.893 2.167 6.590 67 H LYS 9 H LYS 9 6.320 3.856 8.778 68 HA LYS 9 HA LYS 9 7.603 6.276 8.046 69 HB2 LYS 9 2HB LYS 9 7.489 5.174 10.361 70 HB3 LYS 9 1HB LYS 9 8.729 4.078 9.774 71 HG2 LYS 9 2HG LYS 9 10.217 5.950 9.371 72 HG3 LYS 9 1HG LYS 9 8.969 7.061 9.939 73 HD2 LYS 9 2HD LYS 9 8.984 5.831 12.114 74 HD3 LYS 9 1HD LYS 9 10.390 4.937 11.532 75 HE2 LYS 9 2HE LYS 9 11.180 6.752 12.848 76 HE3 LYS 9 1HE LYS 9 11.520 7.122 11.154 77 HZ1 LYS 9 3HZ LYS 9 10.621 9.100 12.117 78 HZ2 LYS 9 1HZ LYS 9 9.368 8.247 12.848 79 HZ3 LYS 9 2HZ LYS 9 9.338 8.430 11.227 80 H VAL 10 H VAL 10 8.684 6.419 6.261 81 HA VAL 10 HA VAL 10 10.316 4.153 5.398 82 HB VAL 10 HB VAL 10 8.216 4.264 4.157 83 HG11 VAL 10 1HG1 VAL 10 7.719 6.104 2.604 84 HG12 VAL 10 2HG1 VAL 10 9.055 7.020 3.294 85 HG13 VAL 10 3HG1 VAL 10 7.669 6.597 4.297 86 HG21 VAL 10 3HG2 VAL 10 9.109 4.291 1.880 87 HG22 VAL 10 1HG2 VAL 10 10.141 3.407 3.002 88 HG23 VAL 10 2HG2 VAL 10 10.595 5.034 2.485 89 H LYS 11 H LYS 11 12.210 4.656 4.434 90 HA LYS 11 HA LYS 11 13.388 7.272 4.906 91 HB2 LYS 11 2HB LYS 11 14.448 4.872 3.404 92 HB3 LYS 11 1HB LYS 11 15.381 6.272 3.905 93 HG2 LYS 11 2HG LYS 11 15.095 5.643 6.236 94 HG3 LYS 11 1HG LYS 11 14.098 4.266 5.757 95 HD2 LYS 11 2HD LYS 11 16.025 3.401 4.483 96 HD3 LYS 11 1HD LYS 11 16.990 4.752 5.072 97 HE2 LYS 11 2HE LYS 11 15.650 2.673 6.791 98 HE3 LYS 11 1HE LYS 11 17.359 2.690 6.364 99 HZ1 LYS 11 3HZ LYS 11 15.925 4.689 8.065 100 HZ2 LYS 11 1HZ LYS 11 17.526 4.844 7.511 101 HZ3 LYS 11 2HZ LYS 11 17.102 3.577 8.514 102 H THR 12 H THR 12 13.291 8.813 3.585 103 HA THR 12 HA THR 12 12.040 8.490 1.014 104 HB THR 12 HB THR 12 12.209 10.972 0.907 105 HG1 THR 12 1HG THR 12 13.557 10.660 3.406 106 HG21 THR 12 3HG2 THR 12 11.276 9.939 3.598 107 HG22 THR 12 1HG2 THR 12 10.323 9.948 2.114 108 HG23 THR 12 2HG2 THR 12 10.800 11.470 2.865 109 HA PRO 13 HA PRO 13 15.788 8.332 -1.415 110 HB2 PRO 13 2HB PRO 13 14.903 10.378 -3.306 111 HB3 PRO 13 1HB PRO 13 15.095 8.643 -3.558 112 HG2 PRO 13 2HG PRO 13 12.678 9.852 -3.487 113 HG3 PRO 13 1HG PRO 13 12.935 8.181 -2.967 114 HD2 PRO 13 2HD PRO 13 12.619 10.652 -1.323 115 HD3 PRO 13 1HD PRO 13 11.995 9.010 -1.040 116 H ALA 14 H ALA 14 14.780 11.141 0.005 117 HA ALA 14 HA ALA 14 17.034 12.766 -0.753 118 HB1 ALA 14 1HB ALA 14 16.013 14.438 0.701 119 HB2 ALA 14 2HB ALA 14 14.800 13.258 1.205 120 HB3 ALA 14 3HB ALA 14 14.862 13.802 -0.470 121 H GLY 15 H GLY 15 15.969 10.752 1.946 122 HA2 GLY 15 2HA GLY 15 18.087 9.794 3.014 123 HA3 GLY 15 1HA GLY 15 18.426 11.476 3.386 124 H LYS 16 H LYS 16 15.787 12.234 4.063 125 HA LYS 16 HA LYS 16 15.811 11.499 6.828 126 HB2 LYS 16 2HB LYS 16 13.917 12.987 7.043 127 HB3 LYS 16 1HB LYS 16 15.107 13.735 5.978 128 HG2 LYS 16 2HG LYS 16 13.837 12.880 4.055 129 HG3 LYS 16 1HG LYS 16 12.624 12.286 5.169 130 HD2 LYS 16 2HD LYS 16 12.171 14.549 5.905 131 HD3 LYS 16 1HD LYS 16 13.425 15.157 4.813 132 HE2 LYS 16 2HE LYS 16 11.007 13.593 4.022 133 HE3 LYS 16 1HE LYS 16 11.220 15.338 3.782 134 HZ1 LYS 16 3HZ LYS 16 13.076 14.874 2.302 135 HZ2 LYS 16 1HZ LYS 16 11.716 13.998 1.767 136 HZ3 LYS 16 2HZ LYS 16 12.915 13.200 2.589 137 H GLU 17 H GLU 17 13.829 10.740 7.925 138 HA GLU 17 HA GLU 17 12.496 8.644 6.360 139 HB2 GLU 17 2HB GLU 17 13.084 8.665 9.324 140 HB3 GLU 17 1HB GLU 17 12.419 7.333 8.387 141 HG2 GLU 17 2HG GLU 17 14.467 7.139 7.147 142 HG3 GLU 17 1HG GLU 17 15.149 8.510 8.002 143 H ALA 18 H ALA 18 10.330 8.773 6.319 144 HA ALA 18 HA ALA 18 8.998 10.497 8.256 145 HB1 ALA 18 1HB ALA 18 7.822 11.703 6.494 146 HB2 ALA 18 2HB ALA 18 8.713 10.804 5.268 147 HB3 ALA 18 3HB ALA 18 9.564 11.922 6.325 148 H GLU 19 H GLU 19 6.888 9.926 8.588 149 HA GLU 19 HA GLU 19 6.047 7.359 7.569 150 HB2 GLU 19 2HB GLU 19 4.470 9.330 9.261 151 HB3 GLU 19 1HB GLU 19 4.020 7.669 8.936 152 HG2 GLU 19 2HG GLU 19 4.846 7.725 11.151 153 HG3 GLU 19 1HG GLU 19 6.101 6.972 10.174 154 H LEU 20 H LEU 20 5.447 7.294 5.576 155 HA LEU 20 HA LEU 20 3.744 9.445 4.515 156 HB2 LEU 20 2HB LEU 20 5.752 7.704 3.086 157 HB3 LEU 20 1HB LEU 20 4.643 8.788 2.280 158 HG LEU 20 HG LEU 20 6.821 9.663 4.190 159 HD11 LEU 20 1HD1 LEU 20 6.686 9.769 1.177 160 HD12 LEU 20 2HD1 LEU 20 7.756 8.742 2.134 161 HD13 LEU 20 3HD1 LEU 20 7.940 10.497 2.177 162 HD21 LEU 20 3HD2 LEU 20 6.345 11.891 3.316 163 HD22 LEU 20 1HD2 LEU 20 4.920 11.214 4.112 164 HD23 LEU 20 2HD2 LEU 20 5.037 11.233 2.345 165 H VAL 21 H VAL 21 1.877 8.866 3.590 166 HA VAL 21 HA VAL 21 1.234 6.058 3.620 167 HB VAL 21 HB VAL 21 -0.371 7.544 4.721 168 HG11 VAL 21 1HG1 VAL 21 -1.734 9.166 3.523 169 HG12 VAL 21 2HG1 VAL 21 -0.776 8.879 2.074 170 HG13 VAL 21 3HG1 VAL 21 -0.020 9.588 3.501 171 HG21 VAL 21 3HG2 VAL 21 -1.308 5.541 3.747 172 HG22 VAL 21 1HG2 VAL 21 -1.498 6.349 2.190 173 HG23 VAL 21 2HG2 VAL 21 -2.462 6.865 3.569 174 HA PRO 22 HA PRO 22 2.347 5.847 -0.614 175 HB2 PRO 22 2HB PRO 22 1.361 3.358 -1.131 176 HB3 PRO 22 1HB PRO 22 2.865 3.647 -0.253 177 HG2 PRO 22 2HG PRO 22 0.146 3.009 0.811 178 HG3 PRO 22 1HG PRO 22 1.725 2.411 1.340 179 HD2 PRO 22 2HD PRO 22 0.383 4.354 2.644 180 HD3 PRO 22 1HD PRO 22 2.157 4.288 2.595 181 H GLU 23 H GLU 23 1.515 6.135 -2.573 182 HA GLU 23 HA GLU 23 -1.127 7.079 -2.937 183 HB2 GLU 23 2HB GLU 23 1.014 6.234 -4.892 184 HB3 GLU 23 1HB GLU 23 -0.460 7.080 -5.332 185 HG2 GLU 23 2HG GLU 23 1.611 8.162 -3.443 186 HG3 GLU 23 1HG GLU 23 1.561 8.521 -5.170 187 H LYS 24 H LYS 24 0.606 4.171 -3.837 188 HA LYS 24 HA LYS 24 -1.796 2.591 -4.003 189 HB2 LYS 24 2HB LYS 24 -1.039 1.699 -6.243 190 HB3 LYS 24 1HB LYS 24 -1.625 3.359 -6.293 191 HG2 LYS 24 2HG LYS 24 0.602 4.216 -6.349 192 HG3 LYS 24 1HG LYS 24 1.273 2.617 -6.092 193 HD2 LYS 24 2HD LYS 24 1.509 3.235 -8.420 194 HD3 LYS 24 1HD LYS 24 0.332 1.938 -8.296 195 HE2 LYS 24 2HE LYS 24 -1.493 3.552 -8.435 196 HE3 LYS 24 1HE LYS 24 -0.335 4.874 -8.500 197 HZ1 LYS 24 3HZ LYS 24 -1.117 4.339 -10.714 198 HZ2 LYS 24 1HZ LYS 24 -0.644 2.726 -10.525 199 HZ3 LYS 24 2HZ LYS 24 0.512 3.947 -10.576 200 H VAL 25 H VAL 25 -1.228 0.322 -3.822 201 HA VAL 25 HA VAL 25 1.567 -0.237 -3.171 202 HB VAL 25 HB VAL 25 0.801 -1.725 -1.314 203 HG11 VAL 25 1HG1 VAL 25 0.365 0.033 0.323 204 HG12 VAL 25 2HG1 VAL 25 0.032 1.162 -0.990 205 HG13 VAL 25 3HG1 VAL 25 1.650 0.492 -0.797 206 HG21 VAL 25 3HG2 VAL 25 -1.444 -1.420 -0.378 207 HG22 VAL 25 1HG2 VAL 25 -1.504 -2.074 -2.018 208 HG23 VAL 25 2HG2 VAL 25 -1.864 -0.370 -1.731 209 H TRP 26 H TRP 26 2.210 -2.366 -3.536 210 HA TRP 26 HA TRP 26 0.276 -4.241 -4.514 211 HB2 TRP 26 2HB TRP 26 1.570 -4.738 -6.591 212 HB3 TRP 26 1HB TRP 26 0.842 -3.144 -6.592 213 HD1 TRP 26 HD TRP 26 4.146 -4.915 -6.872 214 HE1 TRP 26 1HE TRP 26 5.986 -3.209 -7.420 215 HE3 TRP 26 3HE TRP 26 1.540 -0.634 -6.004 216 HZ2 TRP 26 2HZ TRP 26 6.275 -0.376 -7.453 217 HZ3 TRP 26 3HZ TRP 26 2.691 1.528 -6.306 218 HH2 TRP 26 HH TRP 26 4.962 1.658 -6.995 219 H ALA 27 H ALA 27 1.251 -6.405 -4.820 220 HA ALA 27 HA ALA 27 3.651 -6.761 -3.183 221 HB1 ALA 27 1HB ALA 27 2.609 -8.562 -1.935 222 HB2 ALA 27 2HB ALA 27 1.088 -8.288 -2.791 223 HB3 ALA 27 3HB ALA 27 1.731 -7.049 -1.713 224 H LEU 28 H LEU 28 4.951 -8.282 -3.845 225 HA LEU 28 HA LEU 28 4.128 -9.995 -6.087 226 HB2 LEU 28 2HB LEU 28 6.895 -9.111 -5.211 227 HB3 LEU 28 1HB LEU 28 6.597 -10.261 -6.488 228 HG LEU 28 HG LEU 28 5.429 -8.389 -7.749 229 HD11 LEU 28 1HD1 LEU 28 4.994 -6.875 -5.901 230 HD12 LEU 28 2HD1 LEU 28 5.983 -6.094 -7.136 231 HD13 LEU 28 3HD1 LEU 28 6.727 -6.668 -5.646 232 HD21 LEU 28 3HD2 LEU 28 8.335 -8.005 -7.082 233 HD22 LEU 28 1HD2 LEU 28 7.511 -7.393 -8.514 234 HD23 LEU 28 2HD2 LEU 28 7.692 -9.135 -8.279 235 H ALA 29 H ALA 29 3.808 -12.068 -5.525 236 HA ALA 29 HA ALA 29 5.317 -13.074 -3.231 237 HB1 ALA 29 1HB ALA 29 2.947 -12.810 -2.655 238 HB2 ALA 29 2HB ALA 29 3.415 -14.512 -2.665 239 HB3 ALA 29 3HB ALA 29 2.502 -13.838 -4.017 240 HA PRO 30 HA PRO 30 6.502 -15.649 -6.791 241 HB2 PRO 30 2HB PRO 30 9.048 -15.942 -5.432 242 HB3 PRO 30 1HB PRO 30 8.701 -15.172 -6.981 243 HG2 PRO 30 2HG PRO 30 9.478 -13.777 -4.776 244 HG3 PRO 30 1HG PRO 30 8.444 -13.096 -6.044 245 HD2 PRO 30 2HD PRO 30 7.692 -14.205 -3.375 246 HD3 PRO 30 1HD PRO 30 7.090 -12.758 -4.214 247 H LYS 31 H LYS 31 5.370 -17.437 -6.421 248 HA LYS 31 HA LYS 31 4.957 -19.610 -6.014 249 HB2 LYS 31 2HB LYS 31 7.400 -19.941 -6.354 250 HB3 LYS 31 1HB LYS 31 7.657 -19.685 -4.643 251 HG2 LYS 31 2HG LYS 31 7.735 -22.044 -5.146 252 HG3 LYS 31 1HG LYS 31 6.333 -21.690 -4.136 253 HD2 LYS 31 2HD LYS 31 5.733 -23.263 -5.894 254 HD3 LYS 31 1HD LYS 31 4.908 -21.726 -6.157 255 HE2 LYS 31 2HE LYS 31 6.613 -21.111 -7.827 256 HE3 LYS 31 1HE LYS 31 7.427 -22.647 -7.551 257 HZ1 LYS 31 3HZ LYS 31 4.680 -22.307 -8.598 258 HZ2 LYS 31 1HZ LYS 31 5.470 -23.784 -8.363 259 HZ3 LYS 31 2HZ LYS 31 6.045 -22.701 -9.511 260 H GLY 32 H GLY 32 6.631 -18.509 -3.116 261 HA2 GLY 32 2HA GLY 32 4.229 -18.683 -1.543 262 HA3 GLY 32 1HA GLY 32 5.504 -19.842 -1.127 263 H ARG 33 H ARG 33 4.372 -16.763 -0.539 264 HA ARG 33 HA ARG 33 6.750 -15.986 0.875 265 HB2 ARG 33 2HB ARG 33 7.058 -15.359 -1.614 266 HB3 ARG 33 1HB ARG 33 5.719 -14.256 -1.388 267 HG2 ARG 33 2HG ARG 33 7.627 -12.924 -1.228 268 HG3 ARG 33 1HG ARG 33 7.132 -13.171 0.441 269 HD2 ARG 33 2HD ARG 33 9.304 -14.711 -0.999 270 HD3 ARG 33 1HD ARG 33 9.579 -13.386 0.123 271 HE ARG 33 HE ARG 33 8.382 -14.905 1.770 272 HH11 ARG 33 1HH1 ARG 33 10.510 -16.078 -0.838 273 HH12 ARG 33 2HH1 ARG 33 10.948 -17.490 -0.025 274 HH21 ARG 33 1HH2 ARG 33 9.003 -16.922 2.883 275 HH22 ARG 33 2HH2 ARG 33 10.068 -17.986 2.125 276 H LYS 34 H LYS 34 6.149 -13.942 2.130 277 HA LYS 34 HA LYS 34 3.376 -13.914 2.784 278 HB2 LYS 34 2HB LYS 34 5.103 -13.613 4.521 279 HB3 LYS 34 1HB LYS 34 5.697 -12.189 3.703 280 HG2 LYS 34 2HG LYS 34 4.533 -11.404 5.592 281 HG3 LYS 34 1HG LYS 34 3.481 -11.097 4.225 282 HD2 LYS 34 2HD LYS 34 3.178 -13.510 6.024 283 HD3 LYS 34 1HD LYS 34 2.395 -11.974 6.355 284 HE2 LYS 34 2HE LYS 34 1.227 -12.163 4.158 285 HE3 LYS 34 1HE LYS 34 1.968 -13.745 3.942 286 HZ1 LYS 34 3HZ LYS 34 0.899 -14.477 5.964 287 HZ2 LYS 34 1HZ LYS 34 -0.222 -13.983 4.806 288 HZ3 LYS 34 2HZ LYS 34 0.121 -12.986 6.114 289 H GLY 35 H GLY 35 5.263 -12.534 0.497 290 HA2 GLY 35 2HA GLY 35 4.350 -11.325 -1.324 291 HA3 GLY 35 1HA GLY 35 3.195 -10.598 -0.207 292 H VAL 36 H VAL 36 6.107 -10.211 -1.825 293 HA VAL 36 HA VAL 36 7.289 -8.332 -0.021 294 HB VAL 36 HB VAL 36 7.831 -8.784 -2.979 295 HG11 VAL 36 1HG1 VAL 36 8.649 -6.629 -2.186 296 HG12 VAL 36 2HG1 VAL 36 9.993 -7.705 -2.548 297 HG13 VAL 36 3HG1 VAL 36 9.514 -7.425 -0.871 298 HG21 VAL 36 3HG2 VAL 36 9.237 -9.962 -0.577 299 HG22 VAL 36 1HG2 VAL 36 9.743 -10.153 -2.257 300 HG23 VAL 36 2HG2 VAL 36 8.210 -10.832 -1.716 301 H LYS 37 H LYS 37 6.471 -6.448 0.234 302 HA LYS 37 HA LYS 37 4.449 -5.502 -1.630 303 HB2 LYS 37 2HB LYS 37 4.997 -4.823 1.244 304 HB3 LYS 37 1HB LYS 37 3.664 -4.192 0.277 305 HG2 LYS 37 2HG LYS 37 2.742 -6.380 0.021 306 HG3 LYS 37 1HG LYS 37 4.136 -7.102 0.817 307 HD2 LYS 37 2HD LYS 37 3.535 -5.995 2.888 308 HD3 LYS 37 1HD LYS 37 2.162 -5.221 2.085 309 HE2 LYS 37 2HE LYS 37 1.399 -7.158 3.294 310 HE3 LYS 37 1HE LYS 37 1.241 -7.432 1.563 311 HZ1 LYS 37 3HZ LYS 37 2.150 -9.413 2.456 312 HZ2 LYS 37 1HZ LYS 37 3.262 -8.565 3.406 313 HZ3 LYS 37 2HZ LYS 37 3.463 -8.630 1.744 314 H ILE 38 H ILE 38 4.612 -3.638 -2.602 315 HA ILE 38 HA ILE 38 6.802 -1.844 -1.877 316 HB ILE 38 HB ILE 38 6.025 -2.538 -4.742 317 HG12 ILE 38 2HG1 ILE 38 8.493 -3.367 -3.179 318 HG13 ILE 38 1HG1 ILE 38 7.184 -4.436 -3.656 319 HG21 ILE 38 1HG2 ILE 38 8.298 -0.869 -3.653 320 HG22 ILE 38 2HG2 ILE 38 6.853 -0.258 -4.455 321 HG23 ILE 38 3HG2 ILE 38 8.015 -1.232 -5.358 322 HD11 ILE 38 3HD1 ILE 38 7.762 -4.073 -6.009 323 HD12 ILE 38 1HD1 ILE 38 9.117 -4.711 -5.070 324 HD13 ILE 38 2HD1 ILE 38 9.072 -3.001 -5.497 325 H GLY 39 H GLY 39 6.190 0.239 -1.905 326 HA2 GLY 39 2HA GLY 39 3.489 0.805 -2.913 327 HA3 GLY 39 1HA GLY 39 4.055 1.433 -1.367 328 H LEU 40 H LEU 40 3.204 2.758 -3.833 329 HA LEU 40 HA LEU 40 5.673 4.139 -4.547 330 HB2 LEU 40 2HB LEU 40 4.266 3.449 -6.395 331 HB3 LEU 40 1HB LEU 40 2.895 4.291 -5.758 332 HG LEU 40 HG LEU 40 4.162 6.443 -6.124 333 HD11 LEU 40 1HD1 LEU 40 6.088 4.607 -7.532 334 HD12 LEU 40 2HD1 LEU 40 6.426 5.566 -6.093 335 HD13 LEU 40 3HD1 LEU 40 6.095 6.364 -7.629 336 HD21 LEU 40 3HD2 LEU 40 3.768 4.681 -8.514 337 HD22 LEU 40 1HD2 LEU 40 3.886 6.440 -8.531 338 HD23 LEU 40 2HD2 LEU 40 2.519 5.657 -7.721 339 H PHE 41 H PHE 41 6.161 5.964 -3.674 340 HA PHE 41 HA PHE 41 4.154 7.384 -2.045 341 HB2 PHE 41 2HB PHE 41 7.127 7.127 -1.614 342 HB3 PHE 41 1HB PHE 41 6.030 8.057 -0.627 343 HD1 PHE 41 1HD PHE 41 4.484 6.918 0.874 344 HD2 PHE 41 2HD PHE 41 7.320 4.769 -1.444 345 HE1 PHE 41 1HE PHE 41 4.187 4.965 2.318 346 HE2 PHE 41 2HE PHE 41 7.013 2.805 -0.005 347 HZ PHE 41 HZ PHE 41 5.448 2.910 1.877 348 H LYS 42 H LYS 42 4.940 9.634 -1.658 349 HA LYS 42 HA LYS 42 6.568 10.726 -3.820 350 HB2 LYS 42 2HB LYS 42 4.232 11.298 -4.340 351 HB3 LYS 42 1HB LYS 42 4.013 11.931 -2.715 352 HG2 LYS 42 2HG LYS 42 5.775 13.625 -3.195 353 HG3 LYS 42 1HG LYS 42 5.821 13.040 -4.857 354 HD2 LYS 42 2HD LYS 42 3.469 13.641 -5.133 355 HD3 LYS 42 1HD LYS 42 3.418 14.201 -3.460 356 HE2 LYS 42 2HE LYS 42 5.112 15.882 -3.962 357 HE3 LYS 42 1HE LYS 42 5.183 15.313 -5.628 358 HZ1 LYS 42 3HZ LYS 42 3.802 17.273 -5.429 359 HZ2 LYS 42 1HZ LYS 42 2.803 16.499 -4.312 360 HZ3 LYS 42 2HZ LYS 42 2.875 15.948 -5.891 361 H ASP 43 H ASP 43 8.175 11.860 -3.021 362 HA ASP 43 HA ASP 43 8.212 12.360 -0.177 363 HB2 ASP 43 2HB ASP 43 10.256 11.491 -1.181 364 HB3 ASP 43 1HB ASP 43 10.295 12.835 -2.320 365 HA PRO 44 HA PRO 44 6.467 16.407 -1.188 366 HB2 PRO 44 2HB PRO 44 6.734 17.017 1.615 367 HB3 PRO 44 1HB PRO 44 5.257 16.826 0.673 368 HG2 PRO 44 2HG PRO 44 5.941 15.004 2.553 369 HG3 PRO 44 1HG PRO 44 5.152 14.555 1.029 370 HD2 PRO 44 2HD PRO 44 8.045 14.361 1.759 371 HD3 PRO 44 1HD PRO 44 6.970 13.183 0.962 372 H GLU 45 H GLU 45 9.441 15.787 0.106 373 HA GLU 45 HA GLU 45 10.210 18.575 0.419 374 HB2 GLU 45 2HB GLU 45 10.956 16.924 2.051 375 HB3 GLU 45 1HB GLU 45 11.782 16.033 0.790 376 HG2 GLU 45 2HG GLU 45 13.333 17.870 0.488 377 HG3 GLU 45 1HG GLU 45 12.471 18.810 1.711 378 H THR 46 H THR 46 11.353 15.798 -1.496 379 HA THR 46 HA THR 46 12.746 17.574 -3.290 380 HB THR 46 HB THR 46 13.313 15.444 -4.531 381 HG1 THR 46 1HG THR 46 12.055 14.235 -2.273 382 HG21 THR 46 3HG2 THR 46 14.815 16.363 -2.834 383 HG22 THR 46 1HG2 THR 46 14.823 14.601 -2.777 384 HG23 THR 46 2HG2 THR 46 13.921 15.524 -1.572 385 H GLY 47 H GLY 47 9.735 15.815 -3.230 386 HA2 GLY 47 2HA GLY 47 7.870 16.293 -4.440 387 HA3 GLY 47 1HA GLY 47 8.838 17.337 -5.468 388 H LYS 48 H LYS 48 9.772 14.050 -4.835 389 HA LYS 48 HA LYS 48 8.781 13.386 -7.492 390 HB2 LYS 48 2HB LYS 48 10.755 12.006 -7.929 391 HB3 LYS 48 1HB LYS 48 11.182 13.687 -7.686 392 HG2 LYS 48 2HG LYS 48 11.958 13.155 -5.425 393 HG3 LYS 48 1HG LYS 48 11.507 11.466 -5.672 394 HD2 LYS 48 2HD LYS 48 13.054 11.355 -7.589 395 HD3 LYS 48 1HD LYS 48 13.535 13.020 -7.279 396 HE2 LYS 48 2HE LYS 48 14.375 12.366 -5.077 397 HE3 LYS 48 1HE LYS 48 13.864 10.707 -5.375 398 HZ1 LYS 48 3HZ LYS 48 16.214 10.975 -5.807 399 HZ2 LYS 48 1HZ LYS 48 15.902 12.199 -6.923 400 HZ3 LYS 48 2HZ LYS 48 15.410 10.618 -7.244 401 H TYR 49 H TYR 49 8.280 11.224 -7.890 402 HA TYR 49 HA TYR 49 7.165 9.934 -5.541 403 HB2 TYR 49 2HB TYR 49 6.775 9.507 -8.503 404 HB3 TYR 49 1HB TYR 49 6.080 8.454 -7.280 405 HD1 TYR 49 1HD TYR 49 6.091 11.944 -8.542 406 HD2 TYR 49 2HD TYR 49 4.087 9.020 -6.191 407 HE1 TYR 49 1HE TYR 49 4.148 13.433 -8.359 408 HE2 TYR 49 2HE TYR 49 2.135 10.508 -5.996 409 HH TYR 49 HH TYR 49 1.846 13.345 -7.897 410 H PHE 50 H PHE 50 7.836 8.009 -4.793 411 HA PHE 50 HA PHE 50 9.828 6.602 -6.381 412 HB2 PHE 50 2HB PHE 50 11.338 6.342 -4.498 413 HB3 PHE 50 1HB PHE 50 11.059 8.049 -4.779 414 HD1 PHE 50 1HD PHE 50 9.346 9.241 -3.203 415 HD2 PHE 50 2HD PHE 50 11.052 5.418 -2.396 416 HE1 PHE 50 1HE PHE 50 8.816 9.503 -0.795 417 HE2 PHE 50 2HE PHE 50 10.517 5.677 -0.012 418 HZ PHE 50 HZ PHE 50 9.412 7.709 0.789 419 H ARG 51 H ARG 51 9.649 4.384 -6.216 420 HA ARG 51 HA ARG 51 7.596 3.484 -4.412 421 HB2 ARG 51 2HB ARG 51 7.653 1.414 -5.713 422 HB3 ARG 51 1HB ARG 51 7.189 2.797 -6.688 423 HG2 ARG 51 2HG ARG 51 9.413 2.814 -7.685 424 HG3 ARG 51 1HG ARG 51 9.897 1.457 -6.657 425 HD2 ARG 51 2HD ARG 51 8.152 0.084 -7.643 426 HD3 ARG 51 1HD ARG 51 7.662 1.419 -8.691 427 HE ARG 51 HE ARG 51 10.345 0.943 -9.125 428 HH11 ARG 51 1HH1 ARG 51 7.301 -0.800 -9.532 429 HH12 ARG 51 2HH1 ARG 51 7.860 -1.818 -10.770 430 HH21 ARG 51 1HH2 ARG 51 11.118 -0.422 -10.861 431 HH22 ARG 51 2HH2 ARG 51 10.108 -1.591 -11.553 432 H HIS 52 H HIS 52 8.039 2.221 -2.789 433 HA HIS 52 HA HIS 52 10.841 1.394 -2.394 434 HB2 HIS 52 2HB HIS 52 10.292 3.631 -1.314 435 HB3 HIS 52 1HB HIS 52 9.130 2.777 -0.319 436 HD1 HIS 52 1HD HIS 52 10.241 0.935 1.398 437 HD2 HIS 52 2HD HIS 52 12.831 3.676 -0.361 438 HE1 HIS 52 1HE HIS 52 12.259 0.967 2.830 439 HE2 HIS 52 2HE HIS 52 13.904 2.410 1.568 440 H LYS 53 H LYS 53 11.005 -0.477 -1.120 441 HA LYS 53 HA LYS 53 8.764 -2.193 -1.042 442 HB2 LYS 53 2HB LYS 53 11.056 -3.062 -1.173 443 HB3 LYS 53 1HB LYS 53 11.417 -2.405 0.416 444 HG2 LYS 53 2HG LYS 53 9.515 -3.857 1.279 445 HG3 LYS 53 1HG LYS 53 9.557 -4.656 -0.286 446 HD2 LYS 53 2HD LYS 53 11.890 -4.440 1.608 447 HD3 LYS 53 1HD LYS 53 10.823 -5.834 1.490 448 HE2 LYS 53 2HE LYS 53 11.497 -6.103 -0.863 449 HE3 LYS 53 1HE LYS 53 12.598 -4.736 -0.682 450 HZ1 LYS 53 3HZ LYS 53 12.726 -7.287 0.824 451 HZ2 LYS 53 1HZ LYS 53 13.757 -5.956 1.045 452 HZ3 LYS 53 2HZ LYS 53 13.769 -6.775 -0.413 453 H LEU 54 H LEU 54 7.445 -2.725 0.612 454 HA LEU 54 HA LEU 54 7.458 -1.003 2.988 455 HB2 LEU 54 2HB LEU 54 5.290 -2.943 2.263 456 HB3 LEU 54 1HB LEU 54 5.194 -1.514 3.213 457 HG LEU 54 HG LEU 54 5.497 -1.478 0.218 458 HD11 LEU 54 1HD1 LEU 54 3.312 -2.296 0.950 459 HD12 LEU 54 2HD1 LEU 54 3.194 -0.695 0.217 460 HD13 LEU 54 3HD1 LEU 54 3.129 -0.874 1.972 461 HD21 LEU 54 3HD2 LEU 54 6.525 0.436 1.309 462 HD22 LEU 54 1HD2 LEU 54 5.033 0.733 2.207 463 HD23 LEU 54 2HD2 LEU 54 5.060 0.900 0.448 464 HA PRO 55 HA PRO 55 8.401 -4.657 5.476 465 HB2 PRO 55 2HB PRO 55 5.924 -4.291 7.070 466 HB3 PRO 55 1HB PRO 55 7.597 -4.250 7.623 467 HG2 PRO 55 2HG PRO 55 6.191 -2.001 7.491 468 HG3 PRO 55 1HG PRO 55 7.893 -2.020 6.978 469 HD2 PRO 55 2HD PRO 55 5.419 -2.200 5.296 470 HD3 PRO 55 1HD PRO 55 6.792 -1.145 5.013 471 H ASP 56 H ASP 56 7.958 -6.811 5.204 472 HA ASP 56 HA ASP 56 5.936 -7.727 3.486 473 HB2 ASP 56 2HB ASP 56 7.649 -9.228 5.480 474 HB3 ASP 56 1HB ASP 56 6.479 -10.041 4.457 475 H ASP 57 H ASP 57 6.019 -7.303 6.893 476 HA ASP 57 HA ASP 57 3.547 -8.739 7.400 477 HB2 ASP 57 2HB ASP 57 5.362 -8.861 9.028 478 HB3 ASP 57 1HB ASP 57 5.342 -7.117 9.214 479 H TYR 58 H TYR 58 4.102 -5.779 6.083 480 HA TYR 58 HA TYR 58 2.263 -4.217 7.609 481 HB2 TYR 58 2HB TYR 58 4.094 -3.148 6.473 482 HB3 TYR 58 1HB TYR 58 3.585 -3.805 4.926 483 HD1 TYR 58 2HD TYR 58 2.457 -1.541 7.661 484 HD2 TYR 58 1HD TYR 58 2.298 -2.479 3.536 485 HE1 TYR 58 2HE TYR 58 1.169 0.535 7.244 486 HE2 TYR 58 1HE TYR 58 1.029 -0.431 3.096 487 HH TYR 58 HH TYR 58 0.543 2.034 5.470 488 HA PRO 59 HA PRO 59 -1.296 -5.979 5.624 489 HB2 PRO 59 2HB PRO 59 -3.176 -4.442 6.820 490 HB3 PRO 59 1HB PRO 59 -2.323 -5.735 7.669 491 HG2 PRO 59 2HG PRO 59 -1.869 -2.793 7.747 492 HG3 PRO 59 1HG PRO 59 -1.803 -3.973 9.069 493 HD2 PRO 59 2HD PRO 59 0.417 -2.980 7.774 494 HD3 PRO 59 1HD PRO 59 0.358 -4.558 8.586 495 H ILE 60 H ILE 60 -1.801 -5.586 3.600 496 HA ILE 60 HA ILE 60 -2.550 -2.880 2.865 497 HB ILE 60 HB ILE 60 -1.760 -3.312 0.523 498 HG12 ILE 60 2HG1 ILE 60 -0.268 -5.670 1.717 499 HG13 ILE 60 1HG1 ILE 60 -1.692 -5.820 0.693 500 HG21 ILE 60 1HG2 ILE 60 -0.441 -1.971 2.014 501 HG22 ILE 60 2HG2 ILE 60 0.643 -2.963 1.033 502 HG23 ILE 60 3HG2 ILE 60 0.299 -3.406 2.708 503 HD11 ILE 60 3HD1 ILE 60 0.332 -6.205 -0.566 504 HD12 ILE 60 1HD1 ILE 60 0.949 -4.616 -0.109 505 HD13 ILE 60 2HD1 ILE 60 -0.478 -4.746 -1.141 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -9.251 12.661 8.034 2 H2 MET 1 2HT MET 1 -8.528 13.976 7.248 3 H3 MET 1 3HT MET 1 -7.763 12.471 7.299 4 HA MET 1 HA MET 1 -10.328 12.956 5.928 5 HB2 MET 1 2HB MET 1 -7.844 13.757 5.074 6 HB3 MET 1 1HB MET 1 -7.842 12.097 4.514 7 HG2 MET 1 2HG MET 1 -9.897 14.175 3.763 8 HG3 MET 1 1HG MET 1 -8.515 13.725 2.780 9 HE1 MET 1 2HE MET 1 -11.488 13.778 1.662 10 HE2 MET 1 3HE MET 1 -11.528 12.273 0.746 11 HE3 MET 1 1HE MET 1 -10.091 13.296 0.695 12 H SER 2 H SER 2 -10.166 10.812 4.230 13 HA SER 2 HA SER 2 -10.864 8.653 5.820 14 HB2 SER 2 2HB SER 2 -11.538 9.007 3.434 15 HB3 SER 2 1HB SER 2 -9.901 8.580 2.943 16 HG SER 2 HG SER 2 -10.671 6.659 2.884 17 H SER 3 H SER 3 -9.627 7.482 7.121 18 HA SER 3 HA SER 3 -6.781 7.228 6.487 19 HB2 SER 3 2HB SER 3 -8.152 7.059 9.181 20 HB3 SER 3 1HB SER 3 -6.416 7.069 8.875 21 HG SER 3 HG SER 3 -7.941 9.154 7.840 22 H GLY 4 H GLY 4 -8.642 5.485 5.288 23 HA2 GLY 4 2HA GLY 4 -8.578 2.999 6.811 24 HA3 GLY 4 1HA GLY 4 -9.322 3.237 5.233 25 H LYS 5 H LYS 5 -6.155 4.264 6.047 26 HA LYS 5 HA LYS 5 -4.839 2.159 4.551 27 HB2 LYS 5 2HB LYS 5 -4.367 5.118 4.090 28 HB3 LYS 5 1HB LYS 5 -3.489 3.801 3.341 29 HG2 LYS 5 2HG LYS 5 -5.608 3.118 2.220 30 HG3 LYS 5 1HG LYS 5 -6.364 4.554 2.902 31 HD2 LYS 5 2HD LYS 5 -5.686 5.092 0.657 32 HD3 LYS 5 1HD LYS 5 -4.615 5.905 1.811 33 HE2 LYS 5 2HE LYS 5 -2.876 4.320 1.460 34 HE3 LYS 5 1HE LYS 5 -3.929 3.297 0.487 35 HZ1 LYS 5 3HZ LYS 5 -3.938 4.867 -1.227 36 HZ2 LYS 5 1HZ LYS 5 -2.337 4.676 -0.761 37 HZ3 LYS 5 2HZ LYS 5 -3.188 6.068 -0.302 38 H LYS 6 H LYS 6 -2.340 2.943 4.829 39 HA LYS 6 HA LYS 6 -2.078 3.901 7.572 40 HB2 LYS 6 2HB LYS 6 -2.317 1.479 7.772 41 HB3 LYS 6 1HB LYS 6 -0.984 1.239 6.655 42 HG2 LYS 6 2HG LYS 6 0.522 2.351 8.277 43 HG3 LYS 6 1HG LYS 6 -0.831 2.474 9.401 44 HD2 LYS 6 2HD LYS 6 -1.061 0.037 9.389 45 HD3 LYS 6 1HD LYS 6 0.298 -0.092 8.277 46 HE2 LYS 6 2HE LYS 6 1.084 -0.546 10.506 47 HE3 LYS 6 1HE LYS 6 1.728 1.003 9.982 48 HZ1 LYS 6 3HZ LYS 6 -0.572 0.580 11.806 49 HZ2 LYS 6 1HZ LYS 6 -0.050 2.100 11.277 50 HZ3 LYS 6 2HZ LYS 6 0.945 1.160 12.227 51 HA PRO 7 HA PRO 7 1.480 5.668 5.500 52 HB2 PRO 7 2HB PRO 7 2.133 7.299 7.643 53 HB3 PRO 7 1HB PRO 7 1.079 7.771 6.314 54 HG2 PRO 7 2HG PRO 7 0.401 7.091 9.082 55 HG3 PRO 7 1HG PRO 7 -0.539 7.976 7.872 56 HD2 PRO 7 2HD PRO 7 -0.924 5.304 8.720 57 HD3 PRO 7 1HD PRO 7 -1.729 6.122 7.368 58 H VAL 8 H VAL 8 3.606 5.171 5.685 59 HA VAL 8 HA VAL 8 4.353 3.689 8.089 60 HB VAL 8 HB VAL 8 3.962 2.136 6.173 61 HG11 VAL 8 1HG1 VAL 8 6.199 3.593 4.827 62 HG12 VAL 8 2HG1 VAL 8 4.508 3.537 4.327 63 HG13 VAL 8 3HG1 VAL 8 5.491 2.070 4.288 64 HG21 VAL 8 3HG2 VAL 8 5.539 1.475 7.889 65 HG22 VAL 8 1HG2 VAL 8 6.839 2.325 7.052 66 HG23 VAL 8 2HG2 VAL 8 6.092 0.909 6.312 67 H LYS 9 H LYS 9 6.357 4.069 8.898 68 HA LYS 9 HA LYS 9 7.647 6.479 8.110 69 HB2 LYS 9 2HB LYS 9 7.615 5.501 10.432 70 HB3 LYS 9 1HB LYS 9 8.706 4.251 9.851 71 HG2 LYS 9 2HG LYS 9 10.302 6.085 9.202 72 HG3 LYS 9 1HG LYS 9 9.203 7.183 10.059 73 HD2 LYS 9 2HD LYS 9 10.605 4.804 11.278 74 HD3 LYS 9 1HD LYS 9 11.077 6.491 11.479 75 HE2 LYS 9 2HE LYS 9 8.952 6.977 12.551 76 HE3 LYS 9 1HE LYS 9 8.437 5.307 12.321 77 HZ1 LYS 9 3HZ LYS 9 10.235 4.589 13.753 78 HZ2 LYS 9 1HZ LYS 9 9.256 5.714 14.546 79 HZ3 LYS 9 2HZ LYS 9 10.749 6.189 13.938 80 H VAL 10 H VAL 10 8.709 6.522 6.257 81 HA VAL 10 HA VAL 10 10.288 4.180 5.490 82 HB VAL 10 HB VAL 10 8.201 4.315 4.203 83 HG11 VAL 10 1HG1 VAL 10 7.795 6.105 2.599 84 HG12 VAL 10 2HG1 VAL 10 9.149 7.004 3.291 85 HG13 VAL 10 3HG1 VAL 10 7.733 6.639 4.279 86 HG21 VAL 10 3HG2 VAL 10 10.114 3.352 3.109 87 HG22 VAL 10 1HG2 VAL 10 10.636 4.943 2.553 88 HG23 VAL 10 2HG2 VAL 10 9.134 4.236 1.943 89 H LYS 11 H LYS 11 12.190 4.584 4.465 90 HA LYS 11 HA LYS 11 13.423 7.100 5.100 91 HB2 LYS 11 2HB LYS 11 14.571 4.726 3.600 92 HB3 LYS 11 1HB LYS 11 15.480 6.038 4.341 93 HG2 LYS 11 2HG LYS 11 14.707 5.315 6.561 94 HG3 LYS 11 1HG LYS 11 13.812 4.001 5.799 95 HD2 LYS 11 2HD LYS 11 15.980 3.145 4.921 96 HD3 LYS 11 1HD LYS 11 16.801 4.394 5.858 97 HE2 LYS 11 2HE LYS 11 15.023 2.227 6.978 98 HE3 LYS 11 1HE LYS 11 16.780 2.240 7.037 99 HZ1 LYS 11 3HZ LYS 11 16.679 4.207 8.444 100 HZ2 LYS 11 1HZ LYS 11 15.824 2.941 9.121 101 HZ3 LYS 11 2HZ LYS 11 14.980 4.207 8.418 102 H THR 12 H THR 12 13.444 8.739 3.813 103 HA THR 12 HA THR 12 12.277 8.577 1.201 104 HB THR 12 HB THR 12 12.635 11.021 1.159 105 HG1 THR 12 1HG THR 12 13.741 10.618 3.757 106 HG21 THR 12 3HG2 THR 12 10.620 10.127 2.233 107 HG22 THR 12 1HG2 THR 12 11.169 11.578 3.073 108 HG23 THR 12 2HG2 THR 12 11.485 9.987 3.762 109 HA PRO 13 HA PRO 13 16.080 8.451 -1.168 110 HB2 PRO 13 2HB PRO 13 15.119 10.528 -3.022 111 HB3 PRO 13 1HB PRO 13 15.402 8.813 -3.324 112 HG2 PRO 13 2HG PRO 13 12.924 9.859 -3.253 113 HG3 PRO 13 1HG PRO 13 13.275 8.206 -2.726 114 HD2 PRO 13 2HD PRO 13 12.864 10.672 -1.083 115 HD3 PRO 13 1HD PRO 13 12.260 9.026 -0.810 116 H ALA 14 H ALA 14 14.801 11.345 0.080 117 HA ALA 14 HA ALA 14 17.010 13.069 -0.384 118 HB1 ALA 14 1HB ALA 14 14.781 13.932 0.135 119 HB2 ALA 14 2HB ALA 14 15.964 14.486 1.320 120 HB3 ALA 14 3HB ALA 14 14.852 13.178 1.728 121 H GLY 15 H GLY 15 15.895 11.164 2.424 122 HA2 GLY 15 2HA GLY 15 17.981 9.884 3.274 123 HA3 GLY 15 1HA GLY 15 18.566 11.508 3.600 124 H LYS 16 H LYS 16 15.605 12.080 4.238 125 HA LYS 16 HA LYS 16 15.905 11.390 7.060 126 HB2 LYS 16 2HB LYS 16 14.132 13.021 7.460 127 HB3 LYS 16 1HB LYS 16 15.387 13.727 6.458 128 HG2 LYS 16 2HG LYS 16 13.941 13.206 4.466 129 HG3 LYS 16 1HG LYS 16 12.665 12.772 5.600 130 HD2 LYS 16 2HD LYS 16 12.836 15.047 6.589 131 HD3 LYS 16 1HD LYS 16 14.014 15.458 5.345 132 HE2 LYS 16 2HE LYS 16 12.294 14.880 3.633 133 HE3 LYS 16 1HE LYS 16 11.136 14.677 4.942 134 HZ1 LYS 16 3HZ LYS 16 12.544 17.183 4.189 135 HZ2 LYS 16 1HZ LYS 16 11.598 17.022 5.576 136 HZ3 LYS 16 2HZ LYS 16 10.887 16.878 4.084 137 H GLU 17 H GLU 17 13.841 10.707 8.226 138 HA GLU 17 HA GLU 17 12.333 8.901 6.489 139 HB2 GLU 17 2HB GLU 17 12.853 8.685 9.446 140 HB3 GLU 17 1HB GLU 17 11.764 7.637 8.553 141 HG2 GLU 17 2HG GLU 17 13.606 6.892 7.167 142 HG3 GLU 17 1HG GLU 17 14.712 7.921 8.079 143 H ALA 18 H ALA 18 10.263 9.121 6.302 144 HA ALA 18 HA ALA 18 8.866 10.881 8.149 145 HB1 ALA 18 1HB ALA 18 7.724 11.950 6.244 146 HB2 ALA 18 2HB ALA 18 8.756 11.051 5.132 147 HB3 ALA 18 3HB ALA 18 9.461 12.254 6.208 148 H GLU 19 H GLU 19 6.642 10.402 8.239 149 HA GLU 19 HA GLU 19 6.103 7.681 7.436 150 HB2 GLU 19 2HB GLU 19 4.415 9.615 9.056 151 HB3 GLU 19 1HB GLU 19 3.974 7.954 8.712 152 HG2 GLU 19 2HG GLU 19 4.816 7.991 10.958 153 HG3 GLU 19 1HG GLU 19 6.039 7.246 9.948 154 H LEU 20 H LEU 20 5.584 7.452 5.463 155 HA LEU 20 HA LEU 20 3.880 9.467 4.179 156 HB2 LEU 20 2HB LEU 20 5.836 7.536 2.933 157 HB3 LEU 20 1HB LEU 20 4.828 8.664 2.053 158 HG LEU 20 HG LEU 20 7.063 9.422 3.945 159 HD11 LEU 20 1HD1 LEU 20 8.265 10.067 1.937 160 HD12 LEU 20 2HD1 LEU 20 6.920 9.529 0.938 161 HD13 LEU 20 3HD1 LEU 20 7.845 8.355 1.872 162 HD21 LEU 20 3HD2 LEU 20 6.744 11.666 3.058 163 HD22 LEU 20 1HD2 LEU 20 5.280 11.087 3.851 164 HD23 LEU 20 2HD2 LEU 20 5.389 11.092 2.087 165 H VAL 21 H VAL 21 2.095 8.758 3.129 166 HA VAL 21 HA VAL 21 1.424 5.992 3.653 167 HB VAL 21 HB VAL 21 -0.232 7.727 4.343 168 HG11 VAL 21 1HG1 VAL 21 -1.605 8.885 2.717 169 HG12 VAL 21 2HG1 VAL 21 -0.570 8.279 1.419 170 HG13 VAL 21 3HG1 VAL 21 0.088 9.382 2.634 171 HG21 VAL 21 3HG2 VAL 21 -2.242 6.668 3.380 172 HG22 VAL 21 1HG2 VAL 21 -1.040 5.493 3.918 173 HG23 VAL 21 2HG2 VAL 21 -1.216 5.853 2.201 174 HA PRO 22 HA PRO 22 2.562 5.043 -0.438 175 HB2 PRO 22 2HB PRO 22 1.348 2.565 -0.529 176 HB3 PRO 22 1HB PRO 22 2.972 2.872 0.088 177 HG2 PRO 22 2HG PRO 22 0.448 2.414 1.574 178 HG3 PRO 22 1HG PRO 22 2.126 2.032 2.001 179 HD2 PRO 22 2HD PRO 22 0.694 4.126 3.042 180 HD3 PRO 22 1HD PRO 22 2.467 4.065 2.967 181 H GLU 23 H GLU 23 1.638 5.899 -1.961 182 HA GLU 23 HA GLU 23 -1.131 6.525 -2.082 183 HB2 GLU 23 2HB GLU 23 1.257 7.062 -3.743 184 HB3 GLU 23 1HB GLU 23 -0.360 7.439 -4.342 185 HG2 GLU 23 2HG GLU 23 -0.762 8.891 -2.483 186 HG3 GLU 23 1HG GLU 23 0.701 8.368 -1.659 187 H LYS 24 H LYS 24 0.746 4.128 -3.277 188 HA LYS 24 HA LYS 24 -1.585 2.688 -4.237 189 HB2 LYS 24 2HB LYS 24 -0.646 3.809 -6.257 190 HB3 LYS 24 1HB LYS 24 0.901 3.044 -5.940 191 HG2 LYS 24 2HG LYS 24 -0.089 0.858 -6.312 192 HG3 LYS 24 1HG LYS 24 -1.662 1.611 -6.594 193 HD2 LYS 24 2HD LYS 24 -0.754 2.823 -8.488 194 HD3 LYS 24 1HD LYS 24 0.833 2.104 -8.209 195 HE2 LYS 24 2HE LYS 24 -0.085 -0.104 -8.627 196 HE3 LYS 24 1HE LYS 24 -1.688 0.586 -8.854 197 HZ1 LYS 24 3HZ LYS 24 -0.618 0.162 -10.964 198 HZ2 LYS 24 1HZ LYS 24 0.686 1.148 -10.551 199 HZ3 LYS 24 2HZ LYS 24 -0.856 1.808 -10.755 200 H VAL 25 H VAL 25 -1.340 0.441 -3.780 201 HA VAL 25 HA VAL 25 1.294 -0.411 -2.833 202 HB VAL 25 HB VAL 25 0.221 -1.787 -1.060 203 HG11 VAL 25 1HG1 VAL 25 1.135 0.347 -0.437 204 HG12 VAL 25 2HG1 VAL 25 -0.307 -0.006 0.514 205 HG13 VAL 25 3HG1 VAL 25 -0.394 1.139 -0.828 206 HG21 VAL 25 3HG2 VAL 25 -2.316 -0.310 -1.784 207 HG22 VAL 25 1HG2 VAL 25 -2.097 -1.342 -0.366 208 HG23 VAL 25 2HG2 VAL 25 -2.001 -2.039 -1.979 209 H TRP 26 H TRP 26 1.915 -2.427 -3.459 210 HA TRP 26 HA TRP 26 -0.021 -4.303 -4.407 211 HB2 TRP 26 2HB TRP 26 1.043 -4.627 -6.622 212 HB3 TRP 26 1HB TRP 26 0.357 -3.024 -6.454 213 HD1 TRP 26 HD TRP 26 3.512 -4.804 -7.331 214 HE1 TRP 26 1HE TRP 26 5.384 -3.111 -7.833 215 HE3 TRP 26 3HE TRP 26 1.283 -0.591 -5.577 216 HZ2 TRP 26 2HZ TRP 26 5.839 -0.348 -7.539 217 HZ3 TRP 26 3HZ TRP 26 2.491 1.546 -5.722 218 HH2 TRP 26 HH TRP 26 4.709 1.672 -6.671 219 H ALA 27 H ALA 27 0.907 -6.415 -4.685 220 HA ALA 27 HA ALA 27 3.431 -6.685 -3.209 221 HB1 ALA 27 1HB ALA 27 1.557 -7.388 -1.827 222 HB2 ALA 27 2HB ALA 27 2.565 -8.772 -2.261 223 HB3 ALA 27 3HB ALA 27 1.028 -8.504 -3.085 224 H LEU 28 H LEU 28 4.904 -7.996 -4.016 225 HA LEU 28 HA LEU 28 4.262 -9.438 -6.487 226 HB2 LEU 28 2HB LEU 28 6.913 -8.372 -5.500 227 HB3 LEU 28 1HB LEU 28 6.736 -9.341 -6.933 228 HG LEU 28 HG LEU 28 5.260 -7.435 -7.824 229 HD11 LEU 28 1HD1 LEU 28 4.876 -6.281 -5.732 230 HD12 LEU 28 2HD1 LEU 28 5.689 -5.229 -6.891 231 HD13 LEU 28 3HD1 LEU 28 6.603 -5.965 -5.572 232 HD21 LEU 28 3HD2 LEU 28 7.210 -6.156 -8.551 233 HD22 LEU 28 1HD2 LEU 28 7.484 -7.895 -8.655 234 HD23 LEU 28 2HD2 LEU 28 8.190 -6.967 -7.331 235 H ALA 29 H ALA 29 3.886 -11.459 -5.913 236 HA ALA 29 HA ALA 29 5.408 -12.644 -3.732 237 HB1 ALA 29 1HB ALA 29 3.755 -14.423 -3.809 238 HB2 ALA 29 2HB ALA 29 3.002 -13.676 -5.220 239 HB3 ALA 29 3HB ALA 29 2.981 -12.846 -3.662 240 HA PRO 30 HA PRO 30 7.710 -14.472 -7.171 241 HB2 PRO 30 2HB PRO 30 9.753 -15.051 -5.155 242 HB3 PRO 30 1HB PRO 30 9.878 -14.013 -6.567 243 HG2 PRO 30 2HG PRO 30 9.851 -12.966 -4.075 244 HG3 PRO 30 1HG PRO 30 9.111 -12.140 -5.455 245 HD2 PRO 30 2HD PRO 30 7.818 -13.834 -3.356 246 HD3 PRO 30 1HD PRO 30 7.359 -12.228 -3.970 247 H LYS 31 H LYS 31 8.342 -16.644 -7.563 248 HA LYS 31 HA LYS 31 6.462 -18.425 -6.480 249 HB2 LYS 31 2HB LYS 31 8.778 -18.941 -8.344 250 HB3 LYS 31 1HB LYS 31 7.679 -20.214 -7.838 251 HG2 LYS 31 2HG LYS 31 6.992 -19.436 -10.000 252 HG3 LYS 31 1HG LYS 31 5.797 -18.905 -8.828 253 HD2 LYS 31 2HD LYS 31 6.912 -16.670 -8.802 254 HD3 LYS 31 1HD LYS 31 7.977 -17.238 -10.089 255 HE2 LYS 31 2HE LYS 31 4.967 -17.027 -10.233 256 HE3 LYS 31 1HE LYS 31 6.111 -15.901 -10.951 257 HZ1 LYS 31 3HZ LYS 31 6.929 -17.706 -12.353 258 HZ2 LYS 31 1HZ LYS 31 5.295 -17.417 -12.591 259 HZ3 LYS 31 2HZ LYS 31 5.798 -18.767 -11.704 260 H GLY 32 H GLY 32 9.937 -18.230 -5.890 261 HA2 GLY 32 2HA GLY 32 9.622 -20.365 -3.891 262 HA3 GLY 32 1HA GLY 32 11.134 -19.876 -4.636 263 H ARG 33 H ARG 33 8.839 -17.518 -3.483 264 HA ARG 33 HA ARG 33 10.504 -17.022 -1.137 265 HB2 ARG 33 2HB ARG 33 9.740 -14.945 -3.180 266 HB3 ARG 33 1HB ARG 33 10.535 -14.560 -1.676 267 HG2 ARG 33 2HG ARG 33 12.478 -15.940 -2.391 268 HG3 ARG 33 1HG ARG 33 11.650 -16.263 -3.908 269 HD2 ARG 33 2HD ARG 33 11.629 -13.797 -4.315 270 HD3 ARG 33 1HD ARG 33 12.649 -13.621 -2.885 271 HE ARG 33 HE ARG 33 13.701 -15.515 -4.690 272 HH11 ARG 33 1HH1 ARG 33 13.543 -12.021 -4.056 273 HH12 ARG 33 2HH1 ARG 33 14.804 -11.643 -5.146 274 HH21 ARG 33 1HH2 ARG 33 15.446 -14.952 -6.170 275 HH22 ARG 33 2HH2 ARG 33 15.889 -13.315 -6.344 276 H LYS 34 H LYS 34 9.284 -14.878 -0.061 277 HA LYS 34 HA LYS 34 6.706 -16.041 0.580 278 HB2 LYS 34 2HB LYS 34 8.156 -13.705 1.864 279 HB3 LYS 34 1HB LYS 34 6.642 -14.378 2.425 280 HG2 LYS 34 2HG LYS 34 8.316 -15.203 3.870 281 HG3 LYS 34 1HG LYS 34 7.880 -16.547 2.821 282 HD2 LYS 34 2HD LYS 34 9.882 -16.079 1.442 283 HD3 LYS 34 1HD LYS 34 10.309 -14.762 2.537 284 HE2 LYS 34 2HE LYS 34 10.084 -17.679 3.274 285 HE3 LYS 34 1HE LYS 34 11.585 -16.789 3.029 286 HZ1 LYS 34 3HZ LYS 34 9.565 -16.224 5.132 287 HZ2 LYS 34 1HZ LYS 34 11.002 -15.372 4.898 288 HZ3 LYS 34 2HZ LYS 34 11.037 -16.987 5.366 289 H GLY 35 H GLY 35 7.959 -12.851 -0.215 290 HA2 GLY 35 2HA GLY 35 6.464 -12.013 -2.206 291 HA3 GLY 35 1HA GLY 35 5.289 -11.944 -0.892 292 H VAL 36 H VAL 36 6.837 -9.936 -2.590 293 HA VAL 36 HA VAL 36 7.760 -8.361 -0.319 294 HB VAL 36 HB VAL 36 9.150 -7.014 -1.924 295 HG11 VAL 36 1HG1 VAL 36 10.960 -8.663 -2.159 296 HG12 VAL 36 2HG1 VAL 36 9.816 -9.949 -1.770 297 HG13 VAL 36 3HG1 VAL 36 10.201 -8.715 -0.568 298 HG21 VAL 36 3HG2 VAL 36 8.476 -9.225 -3.872 299 HG22 VAL 36 1HG2 VAL 36 9.730 -8.000 -4.113 300 HG23 VAL 36 2HG2 VAL 36 8.041 -7.517 -4.007 301 H LYS 37 H LYS 37 6.706 -6.675 0.153 302 HA LYS 37 HA LYS 37 4.506 -5.848 -1.596 303 HB2 LYS 37 2HB LYS 37 5.093 -5.365 1.309 304 HB3 LYS 37 1HB LYS 37 3.718 -4.654 0.476 305 HG2 LYS 37 2HG LYS 37 2.800 -6.829 0.025 306 HG3 LYS 37 1HG LYS 37 4.257 -7.615 0.621 307 HD2 LYS 37 2HD LYS 37 3.796 -6.766 2.862 308 HD3 LYS 37 1HD LYS 37 2.354 -5.954 2.254 309 HE2 LYS 37 2HE LYS 37 1.331 -8.038 1.685 310 HE3 LYS 37 1HE LYS 37 2.809 -8.924 2.042 311 HZ1 LYS 37 3HZ LYS 37 2.595 -8.469 4.312 312 HZ2 LYS 37 1HZ LYS 37 1.071 -8.992 3.830 313 HZ3 LYS 37 2HZ LYS 37 1.358 -7.352 4.087 314 H ILE 38 H ILE 38 4.498 -3.940 -2.623 315 HA ILE 38 HA ILE 38 6.562 -2.023 -1.853 316 HB ILE 38 HB ILE 38 5.783 -2.694 -4.715 317 HG12 ILE 38 2HG1 ILE 38 8.315 -3.299 -3.178 318 HG13 ILE 38 1HG1 ILE 38 7.124 -4.488 -3.686 319 HG21 ILE 38 1HG2 ILE 38 6.410 -0.353 -4.431 320 HG22 ILE 38 2HG2 ILE 38 7.650 -1.220 -5.342 321 HG23 ILE 38 3HG2 ILE 38 7.911 -0.835 -3.641 322 HD11 ILE 38 3HD1 ILE 38 7.662 -4.004 -6.031 323 HD12 ILE 38 1HD1 ILE 38 9.076 -4.541 -5.123 324 HD13 ILE 38 2HD1 ILE 38 8.869 -2.829 -5.505 325 H GLY 39 H GLY 39 5.997 0.057 -1.872 326 HA2 GLY 39 2HA GLY 39 3.315 0.674 -2.831 327 HA3 GLY 39 1HA GLY 39 3.886 1.287 -1.287 328 H LEU 40 H LEU 40 3.049 2.660 -3.612 329 HA LEU 40 HA LEU 40 5.498 3.950 -4.493 330 HB2 LEU 40 2HB LEU 40 3.923 3.450 -6.223 331 HB3 LEU 40 1HB LEU 40 2.625 4.233 -5.370 332 HG LEU 40 HG LEU 40 3.704 6.404 -5.731 333 HD11 LEU 40 1HD1 LEU 40 6.049 5.670 -5.801 334 HD12 LEU 40 2HD1 LEU 40 5.646 6.533 -7.284 335 HD13 LEU 40 3HD1 LEU 40 5.738 4.773 -7.285 336 HD21 LEU 40 3HD2 LEU 40 3.355 6.533 -8.113 337 HD22 LEU 40 1HD2 LEU 40 2.105 5.541 -7.351 338 HD23 LEU 40 2HD2 LEU 40 3.445 4.778 -8.233 339 H PHE 41 H PHE 41 6.181 5.758 -3.648 340 HA PHE 41 HA PHE 41 4.422 7.198 -1.792 341 HB2 PHE 41 2HB PHE 41 7.378 6.701 -1.663 342 HB3 PHE 41 1HB PHE 41 6.498 7.746 -0.592 343 HD1 PHE 41 1HD PHE 41 4.855 6.742 0.983 344 HD2 PHE 41 2HD PHE 41 7.440 4.355 -1.392 345 HE1 PHE 41 1HE PHE 41 4.463 4.843 2.472 346 HE2 PHE 41 2HE PHE 41 7.042 2.444 0.089 347 HZ PHE 41 HZ PHE 41 5.551 2.690 2.026 348 H LYS 42 H LYS 42 5.127 9.389 -1.488 349 HA LYS 42 HA LYS 42 6.653 10.497 -3.702 350 HB2 LYS 42 2HB LYS 42 4.288 11.036 -4.027 351 HB3 LYS 42 1HB LYS 42 4.199 11.658 -2.388 352 HG2 LYS 42 2HG LYS 42 5.747 13.448 -2.968 353 HG3 LYS 42 1HG LYS 42 5.894 12.802 -4.599 354 HD2 LYS 42 2HD LYS 42 4.393 14.656 -4.697 355 HD3 LYS 42 1HD LYS 42 3.440 13.195 -4.896 356 HE2 LYS 42 2HE LYS 42 3.751 14.693 -2.302 357 HE3 LYS 42 1HE LYS 42 2.431 14.968 -3.426 358 HZ1 LYS 42 3HZ LYS 42 1.900 12.460 -3.028 359 HZ2 LYS 42 1HZ LYS 42 1.628 13.521 -1.743 360 HZ3 LYS 42 2HZ LYS 42 2.977 12.580 -1.759 361 H ASP 43 H ASP 43 8.328 11.491 -3.019 362 HA ASP 43 HA ASP 43 9.040 11.602 -0.294 363 HB2 ASP 43 2HB ASP 43 10.717 11.268 -1.986 364 HB3 ASP 43 1HB ASP 43 10.271 12.767 -2.787 365 HA PRO 44 HA PRO 44 7.090 15.511 0.586 366 HB2 PRO 44 2HB PRO 44 7.811 15.740 3.140 367 HB3 PRO 44 1HB PRO 44 6.682 14.474 2.623 368 HG2 PRO 44 2HG PRO 44 9.618 14.292 3.186 369 HG3 PRO 44 1HG PRO 44 8.327 13.188 3.686 370 HD2 PRO 44 2HD PRO 44 9.952 12.740 1.538 371 HD3 PRO 44 1HD PRO 44 8.296 12.116 1.657 372 H GLU 45 H GLU 45 10.381 15.055 0.266 373 HA GLU 45 HA GLU 45 11.180 17.666 1.271 374 HB2 GLU 45 2HB GLU 45 12.494 15.643 1.811 375 HB3 GLU 45 1HB GLU 45 12.742 15.356 0.106 376 HG2 GLU 45 2HG GLU 45 14.715 16.285 1.143 377 HG3 GLU 45 1HG GLU 45 14.050 17.399 -0.049 378 H THR 46 H THR 46 11.330 15.723 -1.655 379 HA THR 46 HA THR 46 11.872 18.136 -3.240 380 HB THR 46 HB THR 46 12.668 16.466 -4.964 381 HG1 THR 46 1HG THR 46 12.303 14.691 -2.740 382 HG21 THR 46 3HG2 THR 46 14.792 16.040 -3.810 383 HG22 THR 46 1HG2 THR 46 14.047 16.453 -2.270 384 HG23 THR 46 2HG2 THR 46 14.238 17.688 -3.516 385 H GLY 47 H GLY 47 9.439 15.652 -2.766 386 HA2 GLY 47 2HA GLY 47 7.344 15.630 -3.696 387 HA3 GLY 47 1HA GLY 47 7.878 16.861 -4.837 388 H LYS 48 H LYS 48 10.017 14.272 -4.651 389 HA LYS 48 HA LYS 48 9.207 13.380 -7.280 390 HB2 LYS 48 2HB LYS 48 11.257 12.047 -7.276 391 HB3 LYS 48 1HB LYS 48 11.601 13.701 -6.802 392 HG2 LYS 48 2HG LYS 48 11.726 13.045 -4.483 393 HG3 LYS 48 1HG LYS 48 11.311 11.381 -4.897 394 HD2 LYS 48 2HD LYS 48 13.710 11.610 -4.527 395 HD3 LYS 48 1HD LYS 48 13.391 11.231 -6.220 396 HE2 LYS 48 2HE LYS 48 13.739 13.513 -6.857 397 HE3 LYS 48 1HE LYS 48 13.843 14.024 -5.173 398 HZ1 LYS 48 3HZ LYS 48 15.875 12.794 -4.945 399 HZ2 LYS 48 1HZ LYS 48 16.010 13.842 -6.238 400 HZ3 LYS 48 2HZ LYS 48 15.780 12.195 -6.509 401 H TYR 49 H TYR 49 8.581 11.286 -7.787 402 HA TYR 49 HA TYR 49 7.364 9.855 -5.583 403 HB2 TYR 49 2HB TYR 49 7.030 9.826 -8.538 404 HB3 TYR 49 1HB TYR 49 6.610 8.376 -7.636 405 HD1 TYR 49 2HD TYR 49 5.896 12.021 -7.869 406 HD2 TYR 49 1HD TYR 49 4.591 8.212 -6.535 407 HE1 TYR 49 2HE TYR 49 3.708 12.972 -7.299 408 HE2 TYR 49 1HE TYR 49 2.411 9.140 -5.954 409 HH TYR 49 HH TYR 49 1.384 11.165 -5.449 410 H PHE 50 H PHE 50 7.893 7.818 -4.957 411 HA PHE 50 HA PHE 50 9.822 6.366 -6.541 412 HB2 PHE 50 2HB PHE 50 11.385 6.025 -4.697 413 HB3 PHE 50 1HB PHE 50 11.230 7.741 -5.014 414 HD1 PHE 50 1HD PHE 50 9.650 9.078 -3.425 415 HD2 PHE 50 2HD PHE 50 11.142 5.182 -2.555 416 HE1 PHE 50 1HE PHE 50 9.225 9.444 -1.025 417 HE2 PHE 50 2HE PHE 50 10.713 5.546 -0.166 418 HZ PHE 50 HZ PHE 50 9.758 7.670 0.605 419 H ARG 51 H ARG 51 9.383 4.199 -6.409 420 HA ARG 51 HA ARG 51 7.471 3.435 -4.422 421 HB2 ARG 51 2HB ARG 51 7.346 1.343 -5.592 422 HB3 ARG 51 1HB ARG 51 7.168 2.642 -6.752 423 HG2 ARG 51 2HG ARG 51 9.468 2.294 -7.484 424 HG3 ARG 51 1HG ARG 51 9.661 1.011 -6.286 425 HD2 ARG 51 2HD ARG 51 7.830 -0.227 -7.343 426 HD3 ARG 51 1HD ARG 51 7.700 1.026 -8.580 427 HE ARG 51 HE ARG 51 10.316 -0.087 -8.332 428 HH11 ARG 51 1HH1 ARG 51 7.153 -0.563 -9.892 429 HH12 ARG 51 2HH1 ARG 51 7.787 -1.564 -11.110 430 HH21 ARG 51 1HH2 ARG 51 11.128 -1.452 -10.012 431 HH22 ARG 51 2HH2 ARG 51 10.061 -2.064 -11.205 432 H HIS 52 H HIS 52 7.935 2.026 -2.814 433 HA HIS 52 HA HIS 52 10.720 1.202 -2.451 434 HB2 HIS 52 2HB HIS 52 10.345 3.490 -1.409 435 HB3 HIS 52 1HB HIS 52 9.128 2.757 -0.387 436 HD1 HIS 52 1HD HIS 52 10.107 0.940 1.434 437 HD2 HIS 52 2HD HIS 52 12.908 3.346 -0.496 438 HE1 HIS 52 1HE HIS 52 12.118 0.933 2.888 439 HE2 HIS 52 2HE HIS 52 13.866 2.173 1.590 440 H LYS 53 H LYS 53 10.765 -0.709 -1.197 441 HA LYS 53 HA LYS 53 8.195 -1.842 -1.006 442 HB2 LYS 53 2HB LYS 53 9.246 -3.988 -0.379 443 HB3 LYS 53 1HB LYS 53 9.945 -3.310 -1.815 444 HG2 LYS 53 2HG LYS 53 11.743 -4.237 -0.661 445 HG3 LYS 53 1HG LYS 53 11.861 -2.512 -0.334 446 HD2 LYS 53 2HD LYS 53 12.284 -3.861 1.674 447 HD3 LYS 53 1HD LYS 53 10.864 -2.839 1.858 448 HE2 LYS 53 2HE LYS 53 10.495 -5.091 2.769 449 HE3 LYS 53 1HE LYS 53 9.390 -4.742 1.463 450 HZ1 LYS 53 3HZ LYS 53 10.777 -6.138 0.012 451 HZ2 LYS 53 1HZ LYS 53 10.207 -6.938 1.394 452 HZ3 LYS 53 2HZ LYS 53 11.822 -6.439 1.322 453 H LEU 54 H LEU 54 7.114 -2.572 0.688 454 HA LEU 54 HA LEU 54 7.207 -0.710 2.929 455 HB2 LEU 54 2HB LEU 54 5.242 -2.953 2.585 456 HB3 LEU 54 1HB LEU 54 5.029 -1.428 3.340 457 HG LEU 54 HG LEU 54 5.269 -1.689 0.355 458 HD11 LEU 54 1HD1 LEU 54 2.823 -1.298 2.073 459 HD12 LEU 54 2HD1 LEU 54 3.222 -2.759 1.175 460 HD13 LEU 54 3HD1 LEU 54 2.872 -1.261 0.310 461 HD21 LEU 54 3HD2 LEU 54 4.416 0.579 0.396 462 HD22 LEU 54 1HD2 LEU 54 5.981 0.433 1.200 463 HD23 LEU 54 2HD2 LEU 54 4.502 0.575 2.162 464 HA PRO 55 HA PRO 55 8.374 -4.172 5.714 465 HB2 PRO 55 2HB PRO 55 5.805 -3.939 7.202 466 HB3 PRO 55 1HB PRO 55 7.452 -3.779 7.830 467 HG2 PRO 55 2HG PRO 55 5.907 -1.623 7.613 468 HG3 PRO 55 1HG PRO 55 7.627 -1.543 7.179 469 HD2 PRO 55 2HD PRO 55 5.252 -1.908 5.385 470 HD3 PRO 55 1HD PRO 55 6.569 -0.769 5.140 471 H ASP 56 H ASP 56 7.993 -6.370 5.237 472 HA ASP 56 HA ASP 56 5.849 -6.737 3.409 473 HB2 ASP 56 2HB ASP 56 7.868 -8.771 4.390 474 HB3 ASP 56 1HB ASP 56 6.663 -9.101 3.153 475 H ASP 57 H ASP 57 6.067 -6.843 6.597 476 HA ASP 57 HA ASP 57 3.991 -8.790 7.137 477 HB2 ASP 57 2HB ASP 57 5.865 -8.410 8.714 478 HB3 ASP 57 1HB ASP 57 5.302 -6.762 8.947 479 H TYR 58 H TYR 58 4.185 -5.553 6.165 480 HA TYR 58 HA TYR 58 2.073 -4.267 7.476 481 HB2 TYR 58 2HB TYR 58 3.787 -3.086 6.246 482 HB3 TYR 58 1HB TYR 58 3.331 -3.875 4.754 483 HD1 TYR 58 2HD TYR 58 2.516 -1.200 7.138 484 HD2 TYR 58 1HD TYR 58 1.461 -3.061 3.478 485 HE1 TYR 58 2HE TYR 58 1.153 0.757 6.534 486 HE2 TYR 58 1HE TYR 58 0.099 -1.109 2.866 487 HH TYR 58 HH TYR 58 0.218 1.824 4.628 488 HA PRO 59 HA PRO 59 -1.206 -6.506 5.508 489 HB2 PRO 59 2HB PRO 59 -3.275 -5.362 6.768 490 HB3 PRO 59 1HB PRO 59 -2.164 -6.460 7.595 491 HG2 PRO 59 2HG PRO 59 -2.391 -3.513 7.752 492 HG3 PRO 59 1HG PRO 59 -1.842 -4.666 8.981 493 HD2 PRO 59 2HD PRO 59 -0.208 -3.062 7.309 494 HD3 PRO 59 1HD PRO 59 0.314 -4.395 8.348 495 H ILE 60 H ILE 60 -1.732 -6.160 3.500 496 HA ILE 60 HA ILE 60 -2.933 -3.602 2.821 497 HB ILE 60 HB ILE 60 -2.323 -4.045 0.415 498 HG12 ILE 60 2HG1 ILE 60 -0.501 -6.158 1.612 499 HG13 ILE 60 1HG1 ILE 60 -1.899 -6.470 0.583 500 HG21 ILE 60 1HG2 ILE 60 -1.111 -2.453 1.704 501 HG22 ILE 60 2HG2 ILE 60 0.036 -3.348 0.700 502 HG23 ILE 60 3HG2 ILE 60 -0.126 -3.723 2.421 503 HD11 ILE 60 3HD1 ILE 60 -0.783 -5.295 -1.255 504 HD12 ILE 60 1HD1 ILE 60 0.156 -6.664 -0.653 505 HD13 ILE 60 2HD1 ILE 60 0.615 -5.017 -0.210 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -8.869 9.717 -2.068 2 H2 MET 1 2HT MET 1 -9.044 10.293 -3.644 3 H3 MET 1 3HT MET 1 -7.532 9.774 -3.073 4 HA MET 1 HA MET 1 -9.872 8.024 -3.339 5 HB2 MET 1 2HB MET 1 -9.019 8.684 -5.543 6 HB3 MET 1 1HB MET 1 -7.385 8.252 -5.064 7 HG2 MET 1 2HG MET 1 -8.100 5.911 -4.826 8 HG3 MET 1 1HG MET 1 -9.717 6.367 -5.351 9 HE1 MET 1 2HE MET 1 -9.120 7.415 -9.074 10 HE2 MET 1 3HE MET 1 -9.125 8.486 -7.672 11 HE3 MET 1 1HE MET 1 -10.309 7.184 -7.791 12 H SER 2 H SER 2 -9.672 6.226 -2.208 13 HA SER 2 HA SER 2 -8.926 4.593 -0.922 14 HB2 SER 2 2HB SER 2 -6.235 5.019 -2.250 15 HB3 SER 2 1HB SER 2 -6.794 3.549 -1.450 16 HG SER 2 HG SER 2 -8.609 3.779 -3.105 17 H SER 3 H SER 3 -9.276 6.284 0.744 18 HA SER 3 HA SER 3 -6.887 7.394 1.939 19 HB2 SER 3 2HB SER 3 -9.781 7.689 2.713 20 HB3 SER 3 1HB SER 3 -8.436 8.629 3.354 21 HG SER 3 HG SER 3 -9.658 9.599 1.646 22 H GLY 4 H GLY 4 -8.576 4.518 2.242 23 HA2 GLY 4 2HA GLY 4 -8.244 4.127 5.086 24 HA3 GLY 4 1HA GLY 4 -8.732 2.912 3.904 25 H LYS 5 H LYS 5 -6.030 4.719 5.108 26 HA LYS 5 HA LYS 5 -4.142 2.576 4.387 27 HB2 LYS 5 2HB LYS 5 -3.815 5.539 3.930 28 HB3 LYS 5 1HB LYS 5 -2.601 4.319 3.642 29 HG2 LYS 5 2HG LYS 5 -5.197 4.372 2.150 30 HG3 LYS 5 1HG LYS 5 -3.805 5.331 1.651 31 HD2 LYS 5 2HD LYS 5 -2.481 3.244 1.532 32 HD3 LYS 5 1HD LYS 5 -3.950 2.335 1.912 33 HE2 LYS 5 2HE LYS 5 -3.462 2.422 -0.505 34 HE3 LYS 5 1HE LYS 5 -5.022 3.147 -0.083 35 HZ1 LYS 5 3HZ LYS 5 -4.063 5.333 -0.345 36 HZ2 LYS 5 1HZ LYS 5 -3.700 4.450 -1.729 37 HZ3 LYS 5 2HZ LYS 5 -2.525 4.707 -0.562 38 H LYS 6 H LYS 6 -1.950 3.452 5.434 39 HA LYS 6 HA LYS 6 -2.296 5.408 7.452 40 HB2 LYS 6 2HB LYS 6 -1.311 4.112 9.296 41 HB3 LYS 6 1HB LYS 6 -2.805 3.368 8.767 42 HG2 LYS 6 2HG LYS 6 -1.565 1.642 7.611 43 HG3 LYS 6 1HG LYS 6 -0.047 2.459 8.016 44 HD2 LYS 6 2HD LYS 6 -0.532 2.140 10.402 45 HD3 LYS 6 1HD LYS 6 -2.013 1.283 9.978 46 HE2 LYS 6 2HE LYS 6 -0.722 -0.426 8.840 47 HE3 LYS 6 1HE LYS 6 0.766 0.457 9.167 48 HZ1 LYS 6 3HZ LYS 6 -1.036 -0.730 11.199 49 HZ2 LYS 6 1HZ LYS 6 0.390 0.109 11.548 50 HZ3 LYS 6 2HZ LYS 6 0.448 -1.351 10.713 51 HA PRO 7 HA PRO 7 1.607 6.307 5.666 52 HB2 PRO 7 2HB PRO 7 2.443 8.129 7.563 53 HB3 PRO 7 1HB PRO 7 1.401 8.517 6.198 54 HG2 PRO 7 2HG PRO 7 0.693 8.075 9.042 55 HG3 PRO 7 1HG PRO 7 -0.055 9.133 7.831 56 HD2 PRO 7 2HD PRO 7 -1.107 6.752 8.663 57 HD3 PRO 7 1HD PRO 7 -1.442 7.491 7.088 58 H VAL 8 H VAL 8 3.583 5.502 5.852 59 HA VAL 8 HA VAL 8 4.253 4.104 8.350 60 HB VAL 8 HB VAL 8 3.727 2.613 6.351 61 HG11 VAL 8 1HG1 VAL 8 4.461 3.998 4.583 62 HG12 VAL 8 2HG1 VAL 8 5.279 2.438 4.526 63 HG13 VAL 8 3HG1 VAL 8 6.135 3.862 5.122 64 HG21 VAL 8 3HG2 VAL 8 5.697 1.172 6.547 65 HG22 VAL 8 1HG2 VAL 8 5.177 1.779 8.121 66 HG23 VAL 8 2HG2 VAL 8 6.577 2.489 7.323 67 H LYS 9 H LYS 9 6.449 4.237 9.044 68 HA LYS 9 HA LYS 9 7.967 6.478 8.201 69 HB2 LYS 9 2HB LYS 9 8.484 4.128 9.983 70 HB3 LYS 9 1HB LYS 9 9.821 5.145 9.474 71 HG2 LYS 9 2HG LYS 9 7.371 6.258 10.681 72 HG3 LYS 9 1HG LYS 9 8.705 5.676 11.715 73 HD2 LYS 9 2HD LYS 9 10.189 7.266 10.488 74 HD3 LYS 9 1HD LYS 9 8.783 7.855 9.605 75 HE2 LYS 9 2HE LYS 9 9.334 9.342 11.454 76 HE3 LYS 9 1HE LYS 9 7.770 8.583 11.714 77 HZ1 LYS 9 3HZ LYS 9 10.304 7.673 12.950 78 HZ2 LYS 9 1HZ LYS 9 8.776 7.066 13.276 79 HZ3 LYS 9 2HZ LYS 9 9.168 8.639 13.717 80 H VAL 10 H VAL 10 8.730 6.541 6.311 81 HA VAL 10 HA VAL 10 10.125 4.175 5.362 82 HB VAL 10 HB VAL 10 8.028 4.438 4.177 83 HG11 VAL 10 1HG1 VAL 10 7.641 6.294 2.609 84 HG12 VAL 10 2HG1 VAL 10 9.078 7.095 3.249 85 HG13 VAL 10 3HG1 VAL 10 7.688 6.813 4.298 86 HG21 VAL 10 3HG2 VAL 10 10.428 4.966 2.445 87 HG22 VAL 10 1HG2 VAL 10 8.860 4.377 1.870 88 HG23 VAL 10 2HG2 VAL 10 9.803 3.400 2.989 89 H LYS 11 H LYS 11 12.047 4.442 4.595 90 HA LYS 11 HA LYS 11 13.326 7.000 4.913 91 HB2 LYS 11 2HB LYS 11 14.372 4.310 4.000 92 HB3 LYS 11 1HB LYS 11 15.375 5.752 4.087 93 HG2 LYS 11 2HG LYS 11 15.039 5.903 6.456 94 HG3 LYS 11 1HG LYS 11 13.916 4.532 6.427 95 HD2 LYS 11 2HD LYS 11 15.750 3.087 5.696 96 HD3 LYS 11 1HD LYS 11 16.839 4.474 5.679 97 HE2 LYS 11 2HE LYS 11 17.146 3.133 7.702 98 HE3 LYS 11 1HE LYS 11 16.559 4.750 8.077 99 HZ1 LYS 11 3HZ LYS 11 15.504 2.885 9.314 100 HZ2 LYS 11 1HZ LYS 11 14.768 2.383 7.902 101 HZ3 LYS 11 2HZ LYS 11 14.409 3.898 8.593 102 H THR 12 H THR 12 13.245 8.470 3.448 103 HA THR 12 HA THR 12 12.391 7.802 0.783 104 HB THR 12 HB THR 12 12.164 10.198 0.444 105 HG1 THR 12 1HG THR 12 13.076 11.623 1.595 106 HG21 THR 12 3HG2 THR 12 11.280 9.471 3.235 107 HG22 THR 12 1HG2 THR 12 10.379 9.177 1.746 108 HG23 THR 12 2HG2 THR 12 10.670 10.829 2.288 109 HA PRO 13 HA PRO 13 16.382 8.046 -1.202 110 HB2 PRO 13 2HB PRO 13 15.446 10.221 -2.991 111 HB3 PRO 13 1HB PRO 13 16.053 8.611 -3.389 112 HG2 PRO 13 2HG PRO 13 13.460 9.190 -3.629 113 HG3 PRO 13 1HG PRO 13 14.005 7.599 -3.060 114 HD2 PRO 13 2HD PRO 13 12.941 9.912 -1.508 115 HD3 PRO 13 1HD PRO 13 12.618 8.170 -1.333 116 H ALA 14 H ALA 14 14.925 10.928 0.009 117 HA ALA 14 HA ALA 14 17.170 12.676 -0.227 118 HB1 ALA 14 1HB ALA 14 14.884 13.547 0.055 119 HB2 ALA 14 2HB ALA 14 15.964 14.133 1.324 120 HB3 ALA 14 3HB ALA 14 14.824 12.838 1.671 121 H GLY 15 H GLY 15 16.449 10.066 1.778 122 HA2 GLY 15 2HA GLY 15 17.878 9.027 3.256 123 HA3 GLY 15 1HA GLY 15 18.901 10.460 3.229 124 H LYS 16 H LYS 16 15.485 9.954 4.056 125 HA LYS 16 HA LYS 16 16.019 10.620 6.831 126 HB2 LYS 16 2HB LYS 16 14.375 12.382 6.900 127 HB3 LYS 16 1HB LYS 16 15.556 12.796 5.659 128 HG2 LYS 16 2HG LYS 16 14.034 12.019 3.929 129 HG3 LYS 16 1HG LYS 16 12.865 11.555 5.150 130 HD2 LYS 16 2HD LYS 16 13.810 14.371 4.601 131 HD3 LYS 16 1HD LYS 16 12.262 13.689 4.108 132 HE2 LYS 16 2HE LYS 16 11.751 13.294 6.525 133 HE3 LYS 16 1HE LYS 16 13.231 14.163 6.926 134 HZ1 LYS 16 3HZ LYS 16 10.802 15.256 5.617 135 HZ2 LYS 16 1HZ LYS 16 12.282 16.058 5.605 136 HZ3 LYS 16 2HZ LYS 16 11.517 15.736 7.054 137 H GLU 17 H GLU 17 14.010 10.198 8.091 138 HA GLU 17 HA GLU 17 12.350 8.247 6.707 139 HB2 GLU 17 2HB GLU 17 12.760 8.605 9.681 140 HB3 GLU 17 1HB GLU 17 11.713 7.413 8.927 141 HG2 GLU 17 2HG GLU 17 13.741 6.523 7.780 142 HG3 GLU 17 1HG GLU 17 14.708 7.543 8.852 143 H ALA 18 H ALA 18 10.449 8.860 6.189 144 HA ALA 18 HA ALA 18 9.150 10.948 7.774 145 HB1 ALA 18 1HB ALA 18 8.187 11.825 5.684 146 HB2 ALA 18 2HB ALA 18 9.136 10.660 4.763 147 HB3 ALA 18 3HB ALA 18 9.948 11.932 5.673 148 H GLU 19 H GLU 19 6.901 10.677 7.926 149 HA GLU 19 HA GLU 19 6.086 7.963 7.367 150 HB2 GLU 19 2HB GLU 19 4.757 10.179 8.925 151 HB3 GLU 19 1HB GLU 19 4.053 8.585 8.679 152 HG2 GLU 19 2HG GLU 19 5.871 7.548 9.814 153 HG3 GLU 19 1HG GLU 19 6.695 9.097 9.983 154 H LEU 20 H LEU 20 5.511 7.677 5.447 155 HA LEU 20 HA LEU 20 3.895 9.713 4.091 156 HB2 LEU 20 2HB LEU 20 5.882 7.756 2.981 157 HB3 LEU 20 1HB LEU 20 4.892 8.834 1.998 158 HG LEU 20 HG LEU 20 7.082 9.626 3.926 159 HD11 LEU 20 1HD1 LEU 20 7.902 8.597 1.879 160 HD12 LEU 20 2HD1 LEU 20 8.265 10.323 1.911 161 HD13 LEU 20 3HD1 LEU 20 6.939 9.717 0.917 162 HD21 LEU 20 3HD2 LEU 20 5.299 11.306 3.851 163 HD22 LEU 20 1HD2 LEU 20 5.405 11.329 2.089 164 HD23 LEU 20 2HD2 LEU 20 6.765 11.886 3.066 165 H VAL 21 H VAL 21 2.206 8.943 2.868 166 HA VAL 21 HA VAL 21 1.462 6.223 3.560 167 HB VAL 21 HB VAL 21 -0.075 8.072 4.263 168 HG11 VAL 21 1HG1 VAL 21 -1.532 9.145 2.664 169 HG12 VAL 21 2HG1 VAL 21 -0.627 8.417 1.344 170 HG13 VAL 21 3HG1 VAL 21 0.162 9.604 2.407 171 HG21 VAL 21 3HG2 VAL 21 -2.133 7.017 3.505 172 HG22 VAL 21 1HG2 VAL 21 -0.917 5.859 4.033 173 HG23 VAL 21 2HG2 VAL 21 -1.204 6.111 2.310 174 HA PRO 22 HA PRO 22 2.383 5.263 -0.642 175 HB2 PRO 22 2HB PRO 22 1.109 2.835 -0.760 176 HB3 PRO 22 1HB PRO 22 2.749 3.073 -0.164 177 HG2 PRO 22 2HG PRO 22 0.232 2.637 1.348 178 HG3 PRO 22 1HG PRO 22 1.903 2.218 1.765 179 HD2 PRO 22 2HD PRO 22 0.493 4.335 2.837 180 HD3 PRO 22 1HD PRO 22 2.261 4.213 2.799 181 H GLU 23 H GLU 23 1.436 5.892 -2.357 182 HA GLU 23 HA GLU 23 -1.272 6.664 -2.512 183 HB2 GLU 23 2HB GLU 23 0.836 6.278 -4.632 184 HB3 GLU 23 1HB GLU 23 -0.703 7.069 -4.919 185 HG2 GLU 23 2HG GLU 23 1.436 7.981 -3.006 186 HG3 GLU 23 1HG GLU 23 1.065 8.697 -4.575 187 H LYS 24 H LYS 24 0.580 4.104 -3.993 188 HA LYS 24 HA LYS 24 -1.807 2.474 -4.047 189 HB2 LYS 24 2HB LYS 24 -0.998 1.452 -6.213 190 HB3 LYS 24 1HB LYS 24 -1.686 3.056 -6.344 191 HG2 LYS 24 2HG LYS 24 0.394 4.032 -6.719 192 HG3 LYS 24 1HG LYS 24 1.271 2.625 -6.136 193 HD2 LYS 24 2HD LYS 24 0.625 1.345 -8.031 194 HD3 LYS 24 1HD LYS 24 -0.493 2.603 -8.591 195 HE2 LYS 24 2HE LYS 24 1.501 4.080 -8.858 196 HE3 LYS 24 1HE LYS 24 2.512 2.697 -8.443 197 HZ1 LYS 24 3HZ LYS 24 0.613 2.781 -10.702 198 HZ2 LYS 24 1HZ LYS 24 1.699 1.534 -10.386 199 HZ3 LYS 24 2HZ LYS 24 2.243 3.063 -10.866 200 H VAL 25 H VAL 25 -1.356 0.241 -4.017 201 HA VAL 25 HA VAL 25 1.294 -0.411 -2.977 202 HB VAL 25 HB VAL 25 0.226 -1.887 -1.298 203 HG11 VAL 25 1HG1 VAL 25 0.930 0.338 -0.604 204 HG12 VAL 25 2HG1 VAL 25 -0.537 -0.140 0.257 205 HG13 VAL 25 3HG1 VAL 25 -0.632 0.993 -1.089 206 HG21 VAL 25 3HG2 VAL 25 -1.902 -2.267 -2.409 207 HG22 VAL 25 1HG2 VAL 25 -2.352 -0.577 -2.177 208 HG23 VAL 25 2HG2 VAL 25 -2.166 -1.640 -0.781 209 H TRP 26 H TRP 26 1.961 -2.505 -3.424 210 HA TRP 26 HA TRP 26 0.188 -4.382 -4.599 211 HB2 TRP 26 2HB TRP 26 1.449 -4.660 -6.706 212 HB3 TRP 26 1HB TRP 26 0.699 -3.081 -6.594 213 HD1 TRP 26 HD TRP 26 3.957 -4.771 -7.227 214 HE1 TRP 26 1HE TRP 26 5.794 -3.003 -7.620 215 HE3 TRP 26 3HE TRP 26 1.495 -0.650 -5.595 216 HZ2 TRP 26 2HZ TRP 26 6.129 -0.217 -7.279 217 HZ3 TRP 26 3HZ TRP 26 2.652 1.523 -5.639 218 HH2 TRP 26 HH TRP 26 4.888 1.736 -6.452 219 H ALA 27 H ALA 27 1.374 -6.423 -5.065 220 HA ALA 27 HA ALA 27 3.758 -6.645 -3.395 221 HB1 ALA 27 1HB ALA 27 2.881 -8.667 -2.343 222 HB2 ALA 27 2HB ALA 27 1.364 -8.477 -3.222 223 HB3 ALA 27 3HB ALA 27 1.838 -7.284 -2.011 224 H LEU 28 H LEU 28 5.257 -7.848 -4.217 225 HA LEU 28 HA LEU 28 4.678 -9.262 -6.692 226 HB2 LEU 28 2HB LEU 28 7.328 -8.435 -5.485 227 HB3 LEU 28 1HB LEU 28 7.187 -9.406 -6.929 228 HG LEU 28 HG LEU 28 5.987 -7.439 -7.994 229 HD11 LEU 28 1HD1 LEU 28 5.358 -6.237 -5.998 230 HD12 LEU 28 2HD1 LEU 28 6.377 -5.236 -7.035 231 HD13 LEU 28 3HD1 LEU 28 7.054 -5.990 -5.588 232 HD21 LEU 28 3HD2 LEU 28 8.065 -6.230 -8.453 233 HD22 LEU 28 1HD2 LEU 28 8.284 -7.979 -8.524 234 HD23 LEU 28 2HD2 LEU 28 8.841 -7.072 -7.114 235 H ALA 29 H ALA 29 3.790 -11.066 -5.936 236 HA ALA 29 HA ALA 29 5.520 -12.780 -4.311 237 HB1 ALA 29 1HB ALA 29 3.430 -12.145 -3.161 238 HB2 ALA 29 2HB ALA 29 3.524 -13.874 -3.464 239 HB3 ALA 29 3HB ALA 29 2.500 -12.860 -4.483 240 HA PRO 30 HA PRO 30 5.530 -14.811 -8.364 241 HB2 PRO 30 2HB PRO 30 7.633 -16.365 -6.950 242 HB3 PRO 30 1HB PRO 30 7.688 -15.591 -8.538 243 HG2 PRO 30 2HG PRO 30 8.984 -14.487 -6.506 244 HG3 PRO 30 1HG PRO 30 8.072 -13.475 -7.641 245 HD2 PRO 30 2HD PRO 30 7.281 -14.408 -4.899 246 HD3 PRO 30 1HD PRO 30 7.145 -12.790 -5.628 247 H LYS 31 H LYS 31 6.371 -16.941 -5.627 248 HA LYS 31 HA LYS 31 3.917 -18.248 -5.520 249 HB2 LYS 31 2HB LYS 31 4.623 -20.502 -6.467 250 HB3 LYS 31 1HB LYS 31 4.285 -19.240 -7.636 251 HG2 LYS 31 2HG LYS 31 6.790 -18.853 -7.727 252 HG3 LYS 31 1HG LYS 31 6.950 -20.356 -6.818 253 HD2 LYS 31 2HD LYS 31 5.521 -20.085 -9.470 254 HD3 LYS 31 1HD LYS 31 7.176 -20.648 -9.276 255 HE2 LYS 31 2HE LYS 31 4.758 -21.979 -8.045 256 HE3 LYS 31 1HE LYS 31 5.498 -22.472 -9.563 257 HZ1 LYS 31 3HZ LYS 31 6.289 -23.824 -7.734 258 HZ2 LYS 31 1HZ LYS 31 6.817 -22.456 -6.914 259 HZ3 LYS 31 2HZ LYS 31 7.557 -22.905 -8.357 260 H GLY 32 H GLY 32 7.401 -18.860 -5.041 261 HA2 GLY 32 2HA GLY 32 6.687 -19.742 -2.319 262 HA3 GLY 32 1HA GLY 32 7.904 -20.562 -3.279 263 H ARG 33 H ARG 33 7.338 -17.108 -2.990 264 HA ARG 33 HA ARG 33 9.957 -16.839 -1.709 265 HB2 ARG 33 2HB ARG 33 8.956 -15.420 -4.147 266 HB3 ARG 33 1HB ARG 33 10.211 -14.715 -3.140 267 HG2 ARG 33 2HG ARG 33 11.639 -16.589 -3.516 268 HG3 ARG 33 1HG ARG 33 10.380 -17.446 -4.389 269 HD2 ARG 33 2HD ARG 33 10.418 -15.772 -6.126 270 HD3 ARG 33 1HD ARG 33 11.587 -14.814 -5.208 271 HE ARG 33 HE ARG 33 12.699 -17.276 -5.522 272 HH11 ARG 33 1HH1 ARG 33 11.530 -14.772 -7.713 273 HH12 ARG 33 2HH1 ARG 33 12.636 -15.144 -8.959 274 HH21 ARG 33 1HH2 ARG 33 14.240 -17.750 -7.184 275 HH22 ARG 33 2HH2 ARG 33 14.205 -16.885 -8.652 276 H LYS 34 H LYS 34 7.172 -16.703 -0.772 277 HA LYS 34 HA LYS 34 6.115 -15.707 0.948 278 HB2 LYS 34 2HB LYS 34 8.318 -15.330 1.945 279 HB3 LYS 34 1HB LYS 34 8.513 -13.866 1.007 280 HG2 LYS 34 2HG LYS 34 6.677 -12.829 2.258 281 HG3 LYS 34 1HG LYS 34 6.506 -14.309 3.211 282 HD2 LYS 34 2HD LYS 34 8.778 -14.082 4.026 283 HD3 LYS 34 1HD LYS 34 9.027 -12.655 3.032 284 HE2 LYS 34 2HE LYS 34 7.230 -11.511 4.294 285 HE3 LYS 34 1HE LYS 34 7.080 -12.934 5.322 286 HZ1 LYS 34 3HZ LYS 34 9.390 -12.616 6.010 287 HZ2 LYS 34 1HZ LYS 34 8.464 -11.243 6.353 288 HZ3 LYS 34 2HZ LYS 34 9.513 -11.243 5.042 289 H GLY 35 H GLY 35 7.515 -12.988 -0.814 290 HA2 GLY 35 2HA GLY 35 5.878 -11.882 -2.389 291 HA3 GLY 35 1HA GLY 35 4.791 -11.856 -1.006 292 H VAL 36 H VAL 36 6.836 -10.031 -2.756 293 HA VAL 36 HA VAL 36 7.839 -8.449 -0.515 294 HB VAL 36 HB VAL 36 8.280 -8.061 -3.493 295 HG11 VAL 36 1HG1 VAL 36 9.749 -6.859 -1.145 296 HG12 VAL 36 2HG1 VAL 36 8.630 -6.019 -2.218 297 HG13 VAL 36 3HG1 VAL 36 10.158 -6.639 -2.847 298 HG21 VAL 36 3HG2 VAL 36 9.218 -10.198 -2.797 299 HG22 VAL 36 1HG2 VAL 36 10.072 -9.411 -1.469 300 HG23 VAL 36 2HG2 VAL 36 10.510 -9.047 -3.137 301 H LYS 37 H LYS 37 6.584 -6.844 0.213 302 HA LYS 37 HA LYS 37 4.403 -5.840 -1.445 303 HB2 LYS 37 2HB LYS 37 5.145 -5.396 1.444 304 HB3 LYS 37 1HB LYS 37 3.790 -4.593 0.671 305 HG2 LYS 37 2HG LYS 37 2.753 -6.790 0.250 306 HG3 LYS 37 1HG LYS 37 4.139 -7.570 0.997 307 HD2 LYS 37 2HD LYS 37 3.647 -6.553 3.129 308 HD3 LYS 37 1HD LYS 37 2.368 -5.589 2.407 309 HE2 LYS 37 2HE LYS 37 1.516 -7.529 3.654 310 HE3 LYS 37 1HE LYS 37 1.052 -7.535 1.951 311 HZ1 LYS 37 3HZ LYS 37 3.297 -9.105 3.102 312 HZ2 LYS 37 1HZ LYS 37 2.732 -9.187 1.520 313 HZ3 LYS 37 2HZ LYS 37 1.761 -9.727 2.773 314 H ILE 38 H ILE 38 4.438 -3.879 -2.415 315 HA ILE 38 HA ILE 38 6.492 -1.973 -1.601 316 HB ILE 38 HB ILE 38 5.960 -2.782 -4.494 317 HG12 ILE 38 2HG1 ILE 38 8.467 -3.059 -2.821 318 HG13 ILE 38 1HG1 ILE 38 7.417 -4.396 -3.234 319 HG21 ILE 38 1HG2 ILE 38 6.379 -0.383 -4.323 320 HG22 ILE 38 2HG2 ILE 38 7.738 -1.191 -5.101 321 HG23 ILE 38 3HG2 ILE 38 7.859 -0.693 -3.415 322 HD11 ILE 38 3HD1 ILE 38 9.396 -4.381 -4.609 323 HD12 ILE 38 1HD1 ILE 38 9.062 -2.728 -5.125 324 HD13 ILE 38 2HD1 ILE 38 7.983 -4.031 -5.613 325 H GLY 39 H GLY 39 5.927 0.123 -1.777 326 HA2 GLY 39 2HA GLY 39 3.269 0.696 -2.860 327 HA3 GLY 39 1HA GLY 39 3.750 1.307 -1.282 328 H LEU 40 H LEU 40 3.023 2.734 -3.666 329 HA LEU 40 HA LEU 40 5.535 4.017 -4.408 330 HB2 LEU 40 2HB LEU 40 4.024 3.516 -6.219 331 HB3 LEU 40 1HB LEU 40 2.725 4.391 -5.470 332 HG LEU 40 HG LEU 40 4.131 6.479 -5.728 333 HD11 LEU 40 1HD1 LEU 40 5.813 4.612 -7.366 334 HD12 LEU 40 2HD1 LEU 40 6.302 5.516 -5.925 335 HD13 LEU 40 3HD1 LEU 40 5.915 6.367 -7.425 336 HD21 LEU 40 3HD2 LEU 40 3.451 5.000 -8.243 337 HD22 LEU 40 1HD2 LEU 40 3.671 6.739 -8.093 338 HD23 LEU 40 2HD2 LEU 40 2.318 5.949 -7.270 339 H PHE 41 H PHE 41 6.172 5.795 -3.477 340 HA PHE 41 HA PHE 41 4.322 7.260 -1.733 341 HB2 PHE 41 2HB PHE 41 7.277 6.778 -1.511 342 HB3 PHE 41 1HB PHE 41 6.362 7.829 -0.458 343 HD1 PHE 41 2HD PHE 41 4.734 6.846 1.103 344 HD2 PHE 41 1HD PHE 41 7.295 4.415 -1.257 345 HE1 PHE 41 2HE PHE 41 4.302 4.954 2.590 346 HE2 PHE 41 1HE PHE 41 6.868 2.518 0.230 347 HZ PHE 41 HZ PHE 41 5.367 2.787 2.160 348 H LYS 42 H LYS 42 5.120 9.518 -1.385 349 HA LYS 42 HA LYS 42 6.558 10.587 -3.688 350 HB2 LYS 42 2HB LYS 42 4.215 11.269 -3.854 351 HB3 LYS 42 1HB LYS 42 4.231 11.822 -2.185 352 HG2 LYS 42 2HG LYS 42 5.863 13.544 -2.773 353 HG3 LYS 42 1HG LYS 42 5.846 12.991 -4.443 354 HD2 LYS 42 2HD LYS 42 3.530 13.611 -4.677 355 HD3 LYS 42 1HD LYS 42 3.428 14.014 -2.960 356 HE2 LYS 42 2HE LYS 42 5.043 15.784 -3.247 357 HE3 LYS 42 1HE LYS 42 5.256 15.362 -4.940 358 HZ1 LYS 42 3HZ LYS 42 2.746 16.365 -3.702 359 HZ2 LYS 42 1HZ LYS 42 2.938 15.994 -5.328 360 HZ3 LYS 42 2HZ LYS 42 3.796 17.273 -4.659 361 H ASP 43 H ASP 43 8.335 11.608 -3.154 362 HA ASP 43 HA ASP 43 9.119 11.825 -0.404 363 HB2 ASP 43 2HB ASP 43 10.782 11.254 -2.136 364 HB3 ASP 43 1HB ASP 43 10.473 12.787 -2.942 365 HA PRO 44 HA PRO 44 7.023 15.687 -0.022 366 HB2 PRO 44 2HB PRO 44 7.928 16.353 2.450 367 HB3 PRO 44 1HB PRO 44 6.669 15.145 2.166 368 HG2 PRO 44 2HG PRO 44 9.594 14.760 2.671 369 HG3 PRO 44 1HG PRO 44 8.218 13.861 3.343 370 HD2 PRO 44 2HD PRO 44 9.701 12.906 1.312 371 HD3 PRO 44 1HD PRO 44 7.953 12.595 1.431 372 H GLU 45 H GLU 45 10.496 15.439 0.187 373 HA GLU 45 HA GLU 45 10.655 18.329 0.271 374 HB2 GLU 45 2HB GLU 45 12.692 16.242 0.927 375 HB3 GLU 45 1HB GLU 45 13.120 17.938 0.721 376 HG2 GLU 45 2HG GLU 45 11.494 18.528 2.480 377 HG3 GLU 45 1HG GLU 45 11.183 16.813 2.726 378 H THR 46 H THR 46 11.218 15.749 -1.903 379 HA THR 46 HA THR 46 12.335 17.762 -3.713 380 HB THR 46 HB THR 46 13.070 15.798 -5.144 381 HG1 THR 46 1HG THR 46 12.376 14.429 -2.738 382 HG21 THR 46 3HG2 THR 46 14.634 17.060 -3.750 383 HG22 THR 46 1HG2 THR 46 15.046 15.347 -3.750 384 HG23 THR 46 2HG2 THR 46 14.226 16.058 -2.359 385 H GLY 47 H GLY 47 9.539 15.839 -3.212 386 HA2 GLY 47 2HA GLY 47 7.517 16.166 -4.218 387 HA3 GLY 47 1HA GLY 47 8.318 17.187 -5.401 388 H LYS 48 H LYS 48 9.880 14.243 -5.113 389 HA LYS 48 HA LYS 48 8.564 13.355 -7.565 390 HB2 LYS 48 2HB LYS 48 10.521 11.927 -7.964 391 HB3 LYS 48 1HB LYS 48 10.949 13.622 -7.823 392 HG2 LYS 48 2HG LYS 48 11.807 13.260 -5.593 393 HG3 LYS 48 1HG LYS 48 11.267 11.579 -5.633 394 HD2 LYS 48 2HD LYS 48 12.777 11.130 -7.503 395 HD3 LYS 48 1HD LYS 48 13.300 12.809 -7.500 396 HE2 LYS 48 2HE LYS 48 13.640 10.881 -5.204 397 HE3 LYS 48 1HE LYS 48 14.880 11.287 -6.390 398 HZ1 LYS 48 3HZ LYS 48 15.104 12.529 -4.318 399 HZ2 LYS 48 1HZ LYS 48 13.602 13.244 -4.541 400 HZ3 LYS 48 2HZ LYS 48 14.851 13.558 -5.628 401 H TYR 49 H TYR 49 8.161 11.094 -7.863 402 HA TYR 49 HA TYR 49 7.180 9.896 -5.404 403 HB2 TYR 49 2HB TYR 49 6.617 9.350 -8.323 404 HB3 TYR 49 1HB TYR 49 6.029 8.336 -7.016 405 HD1 TYR 49 1HD TYR 49 5.953 11.872 -8.212 406 HD2 TYR 49 2HD TYR 49 3.972 8.796 -6.048 407 HE1 TYR 49 1HE TYR 49 3.974 13.305 -7.999 408 HE2 TYR 49 2HE TYR 49 1.988 10.223 -5.822 409 HH TYR 49 HH TYR 49 1.697 13.189 -7.572 410 H PHE 50 H PHE 50 7.750 7.806 -4.800 411 HA PHE 50 HA PHE 50 9.684 6.415 -6.439 412 HB2 PHE 50 2HB PHE 50 11.338 6.162 -4.672 413 HB3 PHE 50 1HB PHE 50 11.063 7.874 -4.941 414 HD1 PHE 50 1HD PHE 50 9.622 9.140 -3.261 415 HD2 PHE 50 2HD PHE 50 11.036 5.184 -2.566 416 HE1 PHE 50 1HE PHE 50 9.211 9.414 -0.851 417 HE2 PHE 50 2HE PHE 50 10.622 5.453 -0.161 418 HZ PHE 50 HZ PHE 50 9.710 7.556 0.699 419 H ARG 51 H ARG 51 9.418 4.261 -6.245 420 HA ARG 51 HA ARG 51 7.480 3.335 -4.330 421 HB2 ARG 51 2HB ARG 51 7.623 1.227 -5.631 422 HB3 ARG 51 1HB ARG 51 7.095 2.609 -6.585 423 HG2 ARG 51 2HG ARG 51 9.500 2.779 -7.377 424 HG3 ARG 51 1HG ARG 51 9.753 1.228 -6.586 425 HD2 ARG 51 2HD ARG 51 8.162 0.157 -7.982 426 HD3 ARG 51 1HD ARG 51 7.634 1.695 -8.669 427 HE ARG 51 HE ARG 51 10.400 0.818 -9.000 428 HH11 ARG 51 1HH1 ARG 51 7.285 1.622 -10.481 429 HH12 ARG 51 2HH1 ARG 51 7.878 1.620 -12.071 430 HH21 ARG 51 1HH2 ARG 51 11.201 0.823 -11.140 431 HH22 ARG 51 2HH2 ARG 51 10.185 1.155 -12.478 432 H HIS 52 H HIS 52 7.912 2.049 -2.686 433 HA HIS 52 HA HIS 52 10.647 1.076 -2.258 434 HB2 HIS 52 2HB HIS 52 10.363 3.384 -1.236 435 HB3 HIS 52 1HB HIS 52 9.095 2.716 -0.229 436 HD1 HIS 52 1HD HIS 52 9.924 0.947 1.661 437 HD2 HIS 52 2HD HIS 52 12.919 3.004 -0.364 438 HE1 HIS 52 1HE HIS 52 11.955 0.739 3.077 439 HE2 HIS 52 2HE HIS 52 13.796 1.812 1.745 440 H LYS 53 H LYS 53 10.636 -0.736 -0.799 441 HA LYS 53 HA LYS 53 8.186 -2.123 -0.808 442 HB2 LYS 53 2HB LYS 53 9.311 -3.942 0.350 443 HB3 LYS 53 1HB LYS 53 10.259 -3.364 -0.996 444 HG2 LYS 53 2HG LYS 53 11.791 -2.250 0.432 445 HG3 LYS 53 1HG LYS 53 10.775 -2.543 1.848 446 HD2 LYS 53 2HD LYS 53 12.003 -4.727 0.169 447 HD3 LYS 53 1HD LYS 53 12.773 -4.080 1.624 448 HE2 LYS 53 2HE LYS 53 10.780 -4.771 2.923 449 HE3 LYS 53 1HE LYS 53 10.074 -5.441 1.456 450 HZ1 LYS 53 3HZ LYS 53 12.582 -6.364 2.752 451 HZ2 LYS 53 1HZ LYS 53 11.933 -6.983 1.317 452 HZ3 LYS 53 2HZ LYS 53 11.095 -7.144 2.754 453 H LEU 54 H LEU 54 7.030 -2.924 0.909 454 HA LEU 54 HA LEU 54 6.768 -0.984 3.099 455 HB2 LEU 54 2HB LEU 54 4.735 -3.036 2.260 456 HB3 LEU 54 1HB LEU 54 4.511 -1.645 3.237 457 HG LEU 54 HG LEU 54 5.059 -1.478 0.285 458 HD11 LEU 54 1HD1 LEU 54 2.870 -2.447 0.784 459 HD12 LEU 54 2HD1 LEU 54 2.723 -0.821 0.119 460 HD13 LEU 54 3HD1 LEU 54 2.520 -1.089 1.854 461 HD21 LEU 54 3HD2 LEU 54 4.295 0.583 2.328 462 HD22 LEU 54 1HD2 LEU 54 4.442 0.853 0.589 463 HD23 LEU 54 2HD2 LEU 54 5.868 0.425 1.537 464 HA PRO 55 HA PRO 55 7.499 -4.217 6.148 465 HB2 PRO 55 2HB PRO 55 4.907 -3.684 7.466 466 HB3 PRO 55 1HB PRO 55 6.539 -3.446 8.099 467 HG2 PRO 55 2HG PRO 55 4.981 -1.368 7.457 468 HG3 PRO 55 1HG PRO 55 6.736 -1.326 7.166 469 HD2 PRO 55 2HD PRO 55 4.507 -1.945 5.273 470 HD3 PRO 55 1HD PRO 55 5.857 -0.876 4.959 471 H ASP 56 H ASP 56 6.896 -6.370 6.545 472 HA ASP 56 HA ASP 56 5.264 -7.488 4.527 473 HB2 ASP 56 2HB ASP 56 6.497 -8.814 6.931 474 HB3 ASP 56 1HB ASP 56 5.687 -9.673 5.627 475 H ASP 57 H ASP 57 4.657 -6.480 7.718 476 HA ASP 57 HA ASP 57 2.215 -8.041 7.954 477 HB2 ASP 57 2HB ASP 57 2.117 -7.216 10.221 478 HB3 ASP 57 1HB ASP 57 3.717 -7.862 9.886 479 H TYR 58 H TYR 58 2.967 -5.363 6.360 480 HA TYR 58 HA TYR 58 0.938 -3.589 7.290 481 HB2 TYR 58 2HB TYR 58 3.016 -2.951 6.052 482 HB3 TYR 58 1HB TYR 58 2.326 -3.647 4.596 483 HD1 TYR 58 2HD TYR 58 1.898 -1.012 7.158 484 HD2 TYR 58 1HD TYR 58 0.837 -2.309 3.255 485 HE1 TYR 58 2HE TYR 58 0.860 1.168 6.734 486 HE2 TYR 58 1HE TYR 58 -0.218 -0.113 2.812 487 HH TYR 58 HH TYR 58 0.195 2.580 4.951 488 HA PRO 59 HA PRO 59 -2.293 -6.040 5.483 489 HB2 PRO 59 2HB PRO 59 -4.381 -4.443 6.093 490 HB3 PRO 59 1HB PRO 59 -3.538 -5.415 7.309 491 HG2 PRO 59 2HG PRO 59 -3.237 -2.505 6.662 492 HG3 PRO 59 1HG PRO 59 -3.316 -3.290 8.247 493 HD2 PRO 59 2HD PRO 59 -0.978 -2.520 7.103 494 HD3 PRO 59 1HD PRO 59 -1.108 -3.918 8.189 495 H ILE 60 H ILE 60 -1.962 -6.002 3.300 496 HA ILE 60 HA ILE 60 -3.615 -4.099 1.902 497 HB ILE 60 HB ILE 60 -2.031 -4.017 -0.033 498 HG12 ILE 60 2HG1 ILE 60 0.032 -5.077 1.921 499 HG13 ILE 60 1HG1 ILE 60 -0.635 -5.992 0.574 500 HG21 ILE 60 1HG2 ILE 60 -1.065 -2.824 2.540 501 HG22 ILE 60 2HG2 ILE 60 -2.219 -2.123 1.407 502 HG23 ILE 60 3HG2 ILE 60 -0.525 -2.325 0.939 503 HD11 ILE 60 3HD1 ILE 60 0.972 -3.454 0.362 504 HD12 ILE 60 1HD1 ILE 60 0.325 -4.378 -0.994 505 HD13 ILE 60 2HD1 ILE 60 1.566 -5.084 0.045
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